USER MOD reduce.3.24.130724 H: found=0, std=0, add=1658, rem=0, adj=51 USER MOD reduce.3.24.130724 removed 1653 hydrogens (32 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 18 HIS HE2 : A 18 HIS NE2 : A 104 HECFE :(H bumps) USER MOD NoAdj-H: A 104 HEC HAC : A 104 HEC CAC : A 17 CYS SG :(H bumps) USER MOD NoAdj-H: A 104 HEC HAB : A 104 HEC CAB : A 14 CYS SG :(H bumps) USER MOD Set 1.1: B 97 THR OG1 : rot 180:sc= -0.343 USER MOD Set 1.2: B 100 MET CE :methyl -143:sc=-0.00139 (180deg=-0.216) USER MOD Set 2.1: B 56 HIS : no HE2:sc= -1.75! C(o=3.2!,f=-7.6!) USER MOD Set 2.2: B 85 THR OG1 : rot -45:sc= 1.61 USER MOD Set 2.3: B 88 SER OG : rot -127:sc= 3.38 USER MOD Set 3.1: B 21 THR OG1 : rot 120:sc= -0.0674 USER MOD Set 3.2: B 36 ASN : amide:sc= -0.407! K(o=-0.47!,f=-1) USER MOD Set 4.1: B 10 HIS : no HD1:sc= 0.441 K(o=1.5,f=-4.2!) USER MOD Set 4.2: B 20 THR OG1 : rot -86:sc= 1.09 USER MOD Set 5.1: A 49 THR OG1 : rot -114:sc= 1.43 USER MOD Set 5.2: A 78 THR OG1 : rot 180:sc= 0.678 USER MOD Set 5.3: A 104 HEC O2D : rot 8:sc= 1.88 USER MOD Set 6.1: A 63 ASN : amide:sc= -0.978 K(o=-0.13,f=-8.7!) USER MOD Set 6.2: A 74 TYR OH : rot 118:sc= 0.847 USER MOD Set 7.1: A 52 ASN : amide:sc= -0.557 K(o=-1.6,f=-5.6!) USER MOD Set 7.2: A 104 HEC O2A : rot 27:sc= -1.06 USER MOD Set 8.1: A 46 TYR OH : rot 29:sc= 1.18 USER MOD Set 8.2: A 79 LYS NZ :NH3+ 131:sc= 1.15 (180deg=0.783) USER MOD Set 9.1: A 19 THR OG1 : rot -119:sc= 1.79 USER MOD Set 9.2: A 31 ASN : amide:sc= 1.65 K(o=3.4,f=-1.2!) USER MOD Set10.1: A -4 THR OG1 : rot -15:sc= -2.17 USER MOD Set10.2: A 62 ASN : amide:sc= -3.33! C(o=-5.5!,f=-10!) USER MOD Single : A 2 SER OG : rot 170:sc= 0.536 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 165:sc= -0.432 (180deg=-1.09) USER MOD Single : A 8 THR OG1 : rot -26:sc= 0.351 USER MOD Single : A -1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -4 THR N :NH3+ -153:sc= 0.0367 (180deg=-0.414) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -80:sc= 0.903 USER MOD Single : A 16 GLN : amide:sc= -3.09! C(o=-3.1!,f=-2.6!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= 1.96 K(o=2,f=-11!) USER MOD Single : A 27 LYS NZ :NH3+ -170:sc= 0.863 (180deg=0.802) USER MOD Single : A 33 HIS : no HE2:sc= 1.11 K(o=1.1,f=-6.3!) USER MOD Single : A 39 HIS : no HD1:sc= -1.21 X(o=-1.2,f=-0.74) USER MOD Single : A 40 SER OG : rot 116:sc= 0.738 USER MOD Single : A 42 GLN : amide:sc= -0.0564 X(o=-0.056,f=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot -26:sc= 1.04 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ -175:sc= 0.798 (180deg=0.782) USER MOD Single : A 56 ASN :FLIP amide:sc= -0.121 F(o=-0.73,f=-0.12) USER MOD Single : A 64 MET CE :methyl 152:sc= -0.25 (180deg=-1.11) USER MOD Single : A 65 SER OG : rot 180:sc= 0.69 USER MOD Single : A 67 TYR OH : rot -131:sc= 1.05 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -0.0696 K(o=-0.07,f=-2) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl 179:sc= -0.906 (180deg=-0.917) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0.553! (180deg=0.553!) USER MOD Single : A 87 LYS NZ :NH3+ 167:sc= -0.0624 (180deg=-0.21) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= -0.857 K(o=-0.86,f=-1.9!) USER MOD Single : A 96 THR OG1 : rot 92:sc= 1.51 USER MOD Single : A 97 TYR OH : rot 165:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -128:sc= -3.79! (180deg=-5.43!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot 107:sc= 0.272 USER MOD Single : B 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 8 THR OG1 : rot 180:sc= 0 USER MOD Single : B 13 ASN : amide:sc= 0.578 K(o=0.58,f=-5.3!) USER MOD Single : B 18 THR OG1 : rot 180:sc= 0 USER MOD Single : B 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 28 SER OG : rot 180:sc= 0.475 USER MOD Single : B 35 GLN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : B 37 ASN : amide:sc=-0.00386 X(o=-0.0039,f=-0.13) USER MOD Single : B 49 THR OG1 : rot -14:sc= 0.454 USER MOD Single : B 53 SER OG : rot -134:sc= 0 USER MOD Single : B 54 THR OG1 : rot -70:sc= 1.79 USER MOD Single : B 61 GLN : amide:sc= 0.293 K(o=0.29,f=-0.76) USER MOD Single : B 62 HIS : no HD1:sc= 0.0559 K(o=0.056,f=-0.69) USER MOD Single : B 66 LYS NZ :NH3+ 144:sc= -0.158 (180deg=-1.33!) USER MOD Single : B 71 THR OG1 : rot 180:sc= 0.0713 USER MOD Single : B 75 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : B 77 MET CE :methyl -106:sc= -1.21 (180deg=-2.71) USER MOD Single : B 82 TYR OH : rot 180:sc= 0 USER MOD Single : B 93 GLN : amide:sc= 0.617 K(o=0.62,f=-0.027) USER MOD Single : B 95 SER OG : rot 140:sc= -3.46! USER MOD Single : B 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 102 ASN : amide:sc= -0.0101 X(o=-0.01,f=0) USER MOD Single : B 103 MET CE :methyl -179:sc= 0 (180deg=-0.00242) USER MOD Single : B 104 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A -4 -18.536 14.327 -5.257 1.00 0.00 N ATOM 2 CA THR A -4 -17.237 13.881 -5.918 1.00 0.00 C ATOM 3 C THR A -4 -17.708 12.888 -7.000 1.00 0.00 C ATOM 4 O THR A -4 -18.635 13.219 -7.774 1.00 0.00 O ATOM 5 CB THR A -4 -16.278 13.379 -4.842 1.00 0.00 C ATOM 6 OG1 THR A -4 -16.768 12.267 -4.098 1.00 0.00 O ATOM 7 CG2 THR A -4 -15.901 14.443 -3.814 1.00 0.00 C ATOM 0 H1 THR A -4 -18.414 15.280 -4.859 1.00 0.00 H new ATOM 0 H2 THR A -4 -19.298 14.343 -5.965 1.00 0.00 H new ATOM 0 H3 THR A -4 -18.784 13.663 -4.496 1.00 0.00 H new ATOM 0 HA THR A -4 -16.640 14.648 -6.411 1.00 0.00 H new ATOM 0 HB THR A -4 -15.409 13.085 -5.430 1.00 0.00 H new ATOM 0 HG1 THR A -4 -17.732 12.174 -4.246 1.00 0.00 H new ATOM 0 HG21 THR A -4 -15.217 14.015 -3.081 1.00 0.00 H new ATOM 0 HG22 THR A -4 -15.416 15.279 -4.317 1.00 0.00 H new ATOM 0 HG23 THR A -4 -16.800 14.796 -3.309 1.00 0.00 H new ATOM 17 N GLU A -3 -17.158 11.707 -6.917 1.00 0.00 N ATOM 18 CA GLU A -3 -17.509 10.522 -7.738 1.00 0.00 C ATOM 19 C GLU A -3 -17.182 9.338 -6.803 1.00 0.00 C ATOM 20 O GLU A -3 -16.812 8.219 -7.221 1.00 0.00 O ATOM 21 CB GLU A -3 -16.684 10.446 -8.992 1.00 0.00 C ATOM 22 CG GLU A -3 -16.765 11.672 -9.928 1.00 0.00 C ATOM 23 CD GLU A -3 -16.059 11.508 -11.243 1.00 0.00 C ATOM 24 OE1 GLU A -3 -16.109 10.263 -11.669 1.00 0.00 O ATOM 25 OE2 GLU A -3 -15.539 12.483 -11.744 1.00 0.00 O ATOM 0 H GLU A -3 -16.413 11.509 -6.249 1.00 0.00 H new ATOM 0 HA GLU A -3 -18.545 10.542 -8.075 1.00 0.00 H new ATOM 0 HB2 GLU A -3 -15.642 10.297 -8.710 1.00 0.00 H new ATOM 0 HB3 GLU A -3 -16.992 9.564 -9.553 1.00 0.00 H new ATOM 0 HG2 GLU A -3 -17.814 11.896 -10.120 1.00 0.00 H new ATOM 0 HG3 GLU A -3 -16.345 12.535 -9.411 1.00 0.00 H new ATOM 32 N PHE A -2 -17.282 9.670 -5.529 1.00 0.00 N ATOM 33 CA PHE A -2 -16.978 8.925 -4.325 1.00 0.00 C ATOM 34 C PHE A -2 -18.054 9.279 -3.283 1.00 0.00 C ATOM 35 O PHE A -2 -18.184 10.528 -3.083 1.00 0.00 O ATOM 36 CB PHE A -2 -15.610 9.417 -3.711 1.00 0.00 C ATOM 37 CG PHE A -2 -15.512 8.960 -2.304 1.00 0.00 C ATOM 38 CD1 PHE A -2 -15.286 7.598 -2.034 1.00 0.00 C ATOM 39 CD2 PHE A -2 -15.740 9.812 -1.246 1.00 0.00 C ATOM 40 CE1 PHE A -2 -15.251 7.118 -0.730 1.00 0.00 C ATOM 41 CE2 PHE A -2 -15.769 9.360 0.076 1.00 0.00 C ATOM 42 CZ PHE A -2 -15.518 7.976 0.322 1.00 0.00 C ATOM 0 H PHE A -2 -17.627 10.598 -5.285 1.00 0.00 H new ATOM 0 HA PHE A -2 -16.936 7.862 -4.561 1.00 0.00 H new ATOM 0 HB2 PHE A -2 -14.775 9.024 -4.292 1.00 0.00 H new ATOM 0 HB3 PHE A -2 -15.547 10.504 -3.758 1.00 0.00 H new ATOM 0 HD1 PHE A -2 -15.137 6.913 -2.855 1.00 0.00 H new ATOM 0 HD2 PHE A -2 -15.901 10.861 -1.444 1.00 0.00 H new ATOM 0 HE1 PHE A -2 -15.017 6.081 -0.539 1.00 0.00 H new ATOM 0 HE2 PHE A -2 -15.976 10.039 0.890 1.00 0.00 H new ATOM 0 HZ PHE A -2 -15.537 7.597 1.333 1.00 0.00 H new ATOM 52 N LYS A -1 -18.642 8.298 -2.627 1.00 0.00 N ATOM 53 CA LYS A -1 -19.652 8.556 -1.596 1.00 0.00 C ATOM 54 C LYS A -1 -19.317 7.646 -0.415 1.00 0.00 C ATOM 55 O LYS A -1 -18.774 6.554 -0.631 1.00 0.00 O ATOM 56 CB LYS A -1 -21.079 8.275 -1.976 1.00 0.00 C ATOM 57 CG LYS A -1 -21.747 9.412 -2.775 1.00 0.00 C ATOM 58 CD LYS A -1 -23.281 9.219 -2.889 1.00 0.00 C ATOM 59 CE LYS A -1 -23.670 7.989 -3.679 1.00 0.00 C ATOM 60 NZ LYS A -1 -23.421 8.179 -5.140 1.00 0.00 N ATOM 0 H LYS A -1 -18.443 7.310 -2.783 1.00 0.00 H new ATOM 0 HA LYS A -1 -19.606 9.626 -1.392 1.00 0.00 H new ATOM 0 HB2 LYS A -1 -21.114 7.360 -2.567 1.00 0.00 H new ATOM 0 HB3 LYS A -1 -21.657 8.092 -1.070 1.00 0.00 H new ATOM 0 HG2 LYS A -1 -21.537 10.366 -2.292 1.00 0.00 H new ATOM 0 HG3 LYS A -1 -21.312 9.457 -3.773 1.00 0.00 H new ATOM 0 HD2 LYS A -1 -23.707 9.150 -1.888 1.00 0.00 H new ATOM 0 HD3 LYS A -1 -23.717 10.099 -3.361 1.00 0.00 H new ATOM 0 HE2 LYS A -1 -23.103 7.130 -3.320 1.00 0.00 H new ATOM 0 HE3 LYS A -1 -24.724 7.767 -3.514 1.00 0.00 H new ATOM 0 HZ1 LYS A -1 -23.698 7.318 -5.654 1.00 0.00 H new ATOM 0 HZ2 LYS A -1 -23.981 8.984 -5.486 1.00 0.00 H new ATOM 0 HZ3 LYS A -1 -22.410 8.367 -5.298 1.00 0.00 H new ATOM 74 N ALA A 0 -19.711 8.127 0.755 1.00 0.00 N ATOM 75 CA ALA A 0 -19.429 7.438 2.020 1.00 0.00 C ATOM 76 C ALA A 0 -20.132 6.074 2.068 1.00 0.00 C ATOM 77 O ALA A 0 -21.280 5.969 1.582 1.00 0.00 O ATOM 78 CB ALA A 0 -19.793 8.211 3.265 1.00 0.00 C ATOM 0 H ALA A 0 -20.231 8.998 0.862 1.00 0.00 H new ATOM 0 HA ALA A 0 -18.345 7.325 2.027 1.00 0.00 H new ATOM 0 HB1 ALA A 0 -19.547 7.618 4.146 1.00 0.00 H new ATOM 0 HB2 ALA A 0 -19.234 9.146 3.289 1.00 0.00 H new ATOM 0 HB3 ALA A 0 -20.861 8.427 3.260 1.00 0.00 H new ATOM 84 N GLY A 1 -19.471 5.185 2.812 1.00 0.00 N ATOM 85 CA GLY A 1 -19.933 3.846 3.009 1.00 0.00 C ATOM 86 C GLY A 1 -19.852 3.598 4.485 1.00 0.00 C ATOM 87 O GLY A 1 -20.063 4.457 5.389 1.00 0.00 O ATOM 0 H GLY A 1 -18.595 5.394 3.291 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -20.955 3.728 2.648 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -19.317 3.135 2.459 1.00 0.00 H new ATOM 91 N SER A 2 -19.551 2.372 4.798 1.00 0.00 N ATOM 92 CA SER A 2 -19.474 1.832 6.131 1.00 0.00 C ATOM 93 C SER A 2 -17.986 1.860 6.542 1.00 0.00 C ATOM 94 O SER A 2 -17.172 1.048 6.072 1.00 0.00 O ATOM 95 CB SER A 2 -20.005 0.392 6.176 1.00 0.00 C ATOM 96 OG SER A 2 -19.810 -0.040 7.465 1.00 0.00 O ATOM 0 H SER A 2 -19.338 1.674 4.085 1.00 0.00 H new ATOM 0 HA SER A 2 -20.086 2.422 6.814 1.00 0.00 H new ATOM 0 HB2 SER A 2 -21.061 0.356 5.907 1.00 0.00 H new ATOM 0 HB3 SER A 2 -19.474 -0.243 5.467 1.00 0.00 H new ATOM 0 HG SER A 2 -20.274 -0.893 7.598 1.00 0.00 H new ATOM 102 N ALA A 3 -17.771 2.681 7.573 1.00 0.00 N ATOM 103 CA ALA A 3 -16.425 2.725 8.187 1.00 0.00 C ATOM 104 C ALA A 3 -16.164 1.393 8.878 1.00 0.00 C ATOM 105 O ALA A 3 -14.988 0.982 9.020 1.00 0.00 O ATOM 106 CB ALA A 3 -16.244 3.829 9.199 1.00 0.00 C ATOM 0 H ALA A 3 -18.467 3.299 7.990 1.00 0.00 H new ATOM 0 HA ALA A 3 -15.721 2.921 7.378 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -15.232 3.792 9.601 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -16.408 4.794 8.719 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -16.961 3.701 10.010 1.00 0.00 H new ATOM 112 N LYS A 4 -17.128 0.759 9.451 1.00 0.00 N ATOM 113 CA LYS A 4 -16.858 -0.491 10.162 1.00 0.00 C ATOM 114 C LYS A 4 -16.469 -1.497 9.061 1.00 0.00 C ATOM 115 O LYS A 4 -15.642 -2.337 9.301 1.00 0.00 O ATOM 116 CB LYS A 4 -17.973 -1.158 10.933 1.00 0.00 C ATOM 117 CG LYS A 4 -18.474 -0.136 11.982 1.00 0.00 C ATOM 118 CD LYS A 4 -19.669 -0.669 12.720 1.00 0.00 C ATOM 119 CE LYS A 4 -19.981 0.478 13.706 1.00 0.00 C ATOM 120 NZ LYS A 4 -21.091 0.016 14.585 1.00 0.00 N ATOM 0 H LYS A 4 -18.103 1.060 9.455 1.00 0.00 H new ATOM 0 HA LYS A 4 -16.121 -0.227 10.921 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -18.782 -1.452 10.264 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -17.616 -2.066 11.419 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -17.675 0.087 12.689 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -18.734 0.800 11.488 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -20.505 -0.869 12.050 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -19.445 -1.602 13.238 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -19.100 0.726 14.298 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -20.268 1.381 13.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -21.330 0.765 15.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -21.925 -0.203 14.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -20.794 -0.837 15.100 1.00 0.00 H new ATOM 134 N LYS A 5 -17.277 -1.530 8.011 1.00 0.00 N ATOM 135 CA LYS A 5 -16.966 -2.513 6.931 1.00 0.00 C ATOM 136 C LYS A 5 -15.566 -2.276 6.385 1.00 0.00 C ATOM 137 O LYS A 5 -14.768 -3.207 6.079 1.00 0.00 O ATOM 138 CB LYS A 5 -17.956 -2.257 5.816 1.00 0.00 C ATOM 139 CG LYS A 5 -18.103 -3.253 4.706 1.00 0.00 C ATOM 140 CD LYS A 5 -19.434 -3.997 4.730 1.00 0.00 C ATOM 141 CE LYS A 5 -19.330 -5.311 3.942 1.00 0.00 C ATOM 142 NZ LYS A 5 -17.989 -5.952 4.003 1.00 0.00 N ATOM 0 H LYS A 5 -18.099 -0.944 7.867 1.00 0.00 H new ATOM 0 HA LYS A 5 -17.026 -3.531 7.317 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -18.937 -2.134 6.275 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -17.694 -1.301 5.362 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -18.000 -2.738 3.751 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -17.290 -3.976 4.767 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -19.722 -4.206 5.760 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -20.216 -3.370 4.301 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -20.073 -6.011 4.324 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -19.581 -5.117 2.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -18.059 -6.936 3.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -17.327 -5.430 3.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -17.642 -5.939 4.983 1.00 0.00 H new ATOM 156 N GLY A 6 -15.255 -1.031 6.259 1.00 0.00 N ATOM 157 CA GLY A 6 -13.935 -0.433 5.768 1.00 0.00 C ATOM 158 C GLY A 6 -12.854 -0.838 6.716 1.00 0.00 C ATOM 159 O GLY A 6 -11.774 -1.228 6.124 1.00 0.00 O ATOM 0 H GLY A 6 -15.926 -0.301 6.499 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -13.709 -0.786 4.762 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -14.007 0.653 5.716 1.00 0.00 H new ATOM 163 N ALA A 7 -13.045 -0.912 7.988 1.00 0.00 N ATOM 164 CA ALA A 7 -12.039 -1.341 8.986 1.00 0.00 C ATOM 165 C ALA A 7 -11.678 -2.779 8.700 1.00 0.00 C ATOM 166 O ALA A 7 -10.449 -2.991 8.827 1.00 0.00 O ATOM 167 CB ALA A 7 -12.420 -1.198 10.455 1.00 0.00 C ATOM 0 H ALA A 7 -13.940 -0.670 8.414 1.00 0.00 H new ATOM 0 HA ALA A 7 -11.203 -0.652 8.865 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -11.598 -1.547 11.080 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -12.626 -0.151 10.677 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -13.309 -1.794 10.660 1.00 0.00 H new ATOM 173 N THR A 8 -12.612 -3.618 8.432 1.00 0.00 N ATOM 174 CA THR A 8 -12.330 -5.067 8.219 1.00 0.00 C ATOM 175 C THR A 8 -11.730 -5.315 6.842 1.00 0.00 C ATOM 176 O THR A 8 -10.984 -6.295 6.698 1.00 0.00 O ATOM 177 CB THR A 8 -13.490 -6.020 8.578 1.00 0.00 C ATOM 178 OG1 THR A 8 -14.489 -5.808 7.578 1.00 0.00 O ATOM 179 CG2 THR A 8 -14.168 -5.818 9.940 1.00 0.00 C ATOM 0 H THR A 8 -13.596 -3.364 8.346 1.00 0.00 H new ATOM 0 HA THR A 8 -11.571 -5.333 8.954 1.00 0.00 H new ATOM 0 HB THR A 8 -13.057 -7.019 8.628 1.00 0.00 H new ATOM 0 HG1 THR A 8 -14.405 -4.900 7.219 1.00 0.00 H new ATOM 0 HG21 THR A 8 -14.964 -6.553 10.063 1.00 0.00 H new ATOM 0 HG22 THR A 8 -13.433 -5.943 10.735 1.00 0.00 H new ATOM 0 HG23 THR A 8 -14.590 -4.814 9.991 1.00 0.00 H new ATOM 187 N LEU A 9 -12.048 -4.406 5.953 1.00 0.00 N ATOM 188 CA LEU A 9 -11.414 -4.465 4.636 1.00 0.00 C ATOM 189 C LEU A 9 -9.950 -4.160 4.887 1.00 0.00 C ATOM 190 O LEU A 9 -9.034 -4.842 4.351 1.00 0.00 O ATOM 191 CB LEU A 9 -11.933 -3.475 3.593 1.00 0.00 C ATOM 192 CG LEU A 9 -12.061 -4.056 2.172 1.00 0.00 C ATOM 193 CD1 LEU A 9 -13.136 -5.106 2.166 1.00 0.00 C ATOM 194 CD2 LEU A 9 -12.347 -3.043 1.079 1.00 0.00 C ATOM 0 H LEU A 9 -12.711 -3.644 6.095 1.00 0.00 H new ATOM 0 HA LEU A 9 -11.627 -5.447 4.212 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -12.909 -3.109 3.912 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -11.264 -2.615 3.562 1.00 0.00 H new ATOM 0 HG LEU A 9 -11.081 -4.469 1.935 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -13.233 -5.522 1.163 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -12.873 -5.900 2.865 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -14.084 -4.658 2.466 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -12.418 -3.554 0.119 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -13.288 -2.535 1.291 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -11.540 -2.311 1.041 1.00 0.00 H new ATOM 206 N PHE A 10 -9.667 -3.147 5.610 1.00 0.00 N ATOM 207 CA PHE A 10 -8.244 -2.736 5.928 1.00 0.00 C ATOM 208 C PHE A 10 -7.470 -3.868 6.483 1.00 0.00 C ATOM 209 O PHE A 10 -6.407 -4.347 6.080 1.00 0.00 O ATOM 210 CB PHE A 10 -8.151 -1.483 6.733 1.00 0.00 C ATOM 211 CG PHE A 10 -6.688 -1.022 6.866 1.00 0.00 C ATOM 212 CD1 PHE A 10 -5.849 -1.499 7.847 1.00 0.00 C ATOM 213 CD2 PHE A 10 -6.193 -0.187 5.889 1.00 0.00 C ATOM 214 CE1 PHE A 10 -4.573 -0.964 7.979 1.00 0.00 C ATOM 215 CE2 PHE A 10 -4.863 0.296 5.929 1.00 0.00 C ATOM 216 CZ PHE A 10 -4.068 -0.112 6.985 1.00 0.00 C ATOM 0 H PHE A 10 -10.374 -2.541 6.026 1.00 0.00 H new ATOM 0 HA PHE A 10 -7.769 -2.472 4.983 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -8.742 -0.698 6.261 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -8.575 -1.650 7.723 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -6.180 -2.284 8.510 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -6.836 0.107 5.072 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -3.972 -1.203 8.844 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -4.484 0.958 5.164 1.00 0.00 H new ATOM 0 HZ PHE A 10 -3.045 0.230 7.045 1.00 0.00 H new ATOM 226 N LYS A 11 -8.078 -4.499 7.531 1.00 0.00 N ATOM 227 CA LYS A 11 -7.469 -5.630 8.241 1.00 0.00 C ATOM 228 C LYS A 11 -7.191 -6.750 7.317 1.00 0.00 C ATOM 229 O LYS A 11 -6.063 -7.265 7.244 1.00 0.00 O ATOM 230 CB LYS A 11 -8.254 -6.069 9.422 1.00 0.00 C ATOM 231 CG LYS A 11 -8.131 -5.078 10.593 1.00 0.00 C ATOM 232 CD LYS A 11 -8.997 -5.609 11.776 1.00 0.00 C ATOM 233 CE LYS A 11 -10.008 -4.574 12.226 1.00 0.00 C ATOM 234 NZ LYS A 11 -10.525 -4.821 13.572 1.00 0.00 N ATOM 0 H LYS A 11 -8.993 -4.230 7.892 1.00 0.00 H new ATOM 0 HA LYS A 11 -6.517 -5.274 8.635 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -9.303 -6.173 9.143 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.910 -7.053 9.741 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -7.090 -4.979 10.899 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -8.469 -4.087 10.289 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -9.515 -6.518 11.471 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -8.350 -5.876 12.612 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -9.546 -3.587 12.197 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -10.840 -4.558 11.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -11.211 -4.080 13.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -10.993 -5.749 13.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -9.739 -4.809 14.253 1.00 0.00 H new ATOM 248 N THR A 12 -8.108 -7.201 6.524 1.00 0.00 N ATOM 249 CA THR A 12 -7.840 -8.319 5.607 1.00 0.00 C ATOM 250 C THR A 12 -7.033 -7.994 4.393 1.00 0.00 C ATOM 251 O THR A 12 -6.547 -8.942 3.768 1.00 0.00 O ATOM 252 CB THR A 12 -9.199 -9.002 5.266 1.00 0.00 C ATOM 253 OG1 THR A 12 -10.089 -8.048 4.661 1.00 0.00 O ATOM 254 CG2 THR A 12 -9.928 -9.669 6.415 1.00 0.00 C ATOM 0 H THR A 12 -9.056 -6.829 6.475 1.00 0.00 H new ATOM 0 HA THR A 12 -7.181 -9.011 6.131 1.00 0.00 H new ATOM 0 HB THR A 12 -8.921 -9.809 4.588 1.00 0.00 H new ATOM 0 HG1 THR A 12 -10.503 -7.498 5.359 1.00 0.00 H new ATOM 0 HG21 THR A 12 -10.858 -10.107 6.051 1.00 0.00 H new ATOM 0 HG22 THR A 12 -9.300 -10.452 6.839 1.00 0.00 H new ATOM 0 HG23 THR A 12 -10.152 -8.928 7.183 1.00 0.00 H new ATOM 262 N ARG A 13 -6.993 -6.785 3.882 1.00 0.00 N ATOM 263 CA ARG A 13 -6.320 -6.445 2.618 1.00 0.00 C ATOM 264 C ARG A 13 -5.157 -5.499 2.668 1.00 0.00 C ATOM 265 O ARG A 13 -4.287 -5.541 1.757 1.00 0.00 O ATOM 266 CB ARG A 13 -7.311 -5.791 1.590 1.00 0.00 C ATOM 267 CG ARG A 13 -8.613 -6.609 1.505 1.00 0.00 C ATOM 268 CD ARG A 13 -8.377 -7.622 0.412 1.00 0.00 C ATOM 269 NE ARG A 13 -8.834 -7.033 -0.850 1.00 0.00 N ATOM 270 CZ ARG A 13 -8.596 -7.613 -2.019 1.00 0.00 C ATOM 271 NH1 ARG A 13 -7.725 -8.616 -2.151 1.00 0.00 N ATOM 272 NH2 ARG A 13 -9.177 -7.088 -3.091 1.00 0.00 N ATOM 0 H ARG A 13 -7.433 -5.982 4.332 1.00 0.00 H new ATOM 0 HA ARG A 13 -5.943 -7.427 2.332 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -7.536 -4.768 1.892 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -6.843 -5.738 0.607 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -8.833 -7.098 2.454 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -9.464 -5.970 1.272 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -7.320 -7.880 0.352 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -8.919 -8.544 0.622 1.00 0.00 H new ATOM 0 HE ARG A 13 -9.349 -6.153 -0.829 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -7.217 -8.961 -1.337 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -7.568 -9.038 -3.066 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -9.779 -6.270 -2.996 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -9.021 -7.502 -4.010 1.00 0.00 H new ATOM 286 N CYS A 14 -5.050 -4.680 3.665 1.00 0.00 N ATOM 287 CA CYS A 14 -3.962 -3.716 3.789 1.00 0.00 C ATOM 288 C CYS A 14 -2.987 -3.843 4.989 1.00 0.00 C ATOM 289 O CYS A 14 -1.886 -3.345 4.872 1.00 0.00 O ATOM 290 CB CYS A 14 -4.430 -2.302 3.787 1.00 0.00 C ATOM 291 SG CYS A 14 -5.896 -1.904 2.767 1.00 0.00 S ATOM 0 H CYS A 14 -5.717 -4.648 4.436 1.00 0.00 H new ATOM 0 HA CYS A 14 -3.400 -3.985 2.894 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -4.648 -2.018 4.816 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -3.605 -1.674 3.451 1.00 0.00 H new ATOM 296 N LEU A 15 -3.431 -4.348 6.094 1.00 0.00 N ATOM 297 CA LEU A 15 -2.753 -4.474 7.382 1.00 0.00 C ATOM 298 C LEU A 15 -1.420 -5.311 7.236 1.00 0.00 C ATOM 299 O LEU A 15 -0.496 -4.961 7.987 1.00 0.00 O ATOM 300 CB LEU A 15 -3.669 -5.044 8.441 1.00 0.00 C ATOM 301 CG LEU A 15 -3.045 -5.175 9.815 1.00 0.00 C ATOM 302 CD1 LEU A 15 -3.008 -3.804 10.362 1.00 0.00 C ATOM 303 CD2 LEU A 15 -3.829 -6.148 10.630 1.00 0.00 C ATOM 0 H LEU A 15 -4.376 -4.728 6.141 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.477 -3.474 7.715 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -4.552 -4.410 8.517 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -4.009 -6.027 8.116 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.032 -5.578 9.804 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.567 -3.822 11.359 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.408 -3.169 9.711 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.022 -3.408 10.421 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.379 -6.241 11.618 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -4.855 -5.795 10.731 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.827 -7.120 10.137 1.00 0.00 H new ATOM 315 N GLN A 16 -1.438 -6.154 6.283 1.00 0.00 N ATOM 316 CA GLN A 16 -0.201 -6.978 6.044 1.00 0.00 C ATOM 317 C GLN A 16 0.959 -6.035 5.773 1.00 0.00 C ATOM 318 O GLN A 16 2.076 -6.486 6.241 1.00 0.00 O ATOM 319 CB GLN A 16 -0.413 -7.958 4.930 1.00 0.00 C ATOM 320 CG GLN A 16 0.839 -8.682 4.434 1.00 0.00 C ATOM 321 CD GLN A 16 0.562 -9.154 2.997 1.00 0.00 C ATOM 322 OE1 GLN A 16 -0.580 -9.062 2.479 1.00 0.00 O ATOM 323 NE2 GLN A 16 1.600 -9.698 2.415 1.00 0.00 N ATOM 0 H GLN A 16 -2.223 -6.328 5.655 1.00 0.00 H new ATOM 0 HA GLN A 16 0.030 -7.573 6.927 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -1.135 -8.705 5.261 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -0.863 -7.431 4.088 1.00 0.00 H new ATOM 0 HG2 GLN A 16 1.702 -8.016 4.459 1.00 0.00 H new ATOM 0 HG3 GLN A 16 1.072 -9.530 5.078 1.00 0.00 H new ATOM 0 HE21 GLN A 16 2.496 -9.735 2.901 1.00 0.00 H new ATOM 0 HE22 GLN A 16 1.513 -10.085 1.475 1.00 0.00 H new ATOM 332 N CYS A 17 0.711 -4.878 5.200 1.00 0.00 N ATOM 333 CA CYS A 17 1.793 -4.018 4.817 1.00 0.00 C ATOM 334 C CYS A 17 1.925 -2.661 5.413 1.00 0.00 C ATOM 335 O CYS A 17 2.836 -1.849 5.228 1.00 0.00 O ATOM 336 CB CYS A 17 1.729 -3.883 3.267 1.00 0.00 C ATOM 337 SG CYS A 17 2.129 -5.488 2.464 1.00 0.00 S ATOM 0 H CYS A 17 -0.221 -4.520 4.994 1.00 0.00 H new ATOM 0 HA CYS A 17 2.673 -4.515 5.225 1.00 0.00 H new ATOM 0 HB2 CYS A 17 0.734 -3.557 2.965 1.00 0.00 H new ATOM 0 HB3 CYS A 17 2.430 -3.118 2.933 1.00 0.00 H new ATOM 342 N HIS A 18 0.767 -2.214 6.020 1.00 0.00 N ATOM 343 CA HIS A 18 0.592 -0.837 6.521 1.00 0.00 C ATOM 344 C HIS A 18 -0.117 -0.725 7.863 1.00 0.00 C ATOM 345 O HIS A 18 -0.932 -1.539 8.274 1.00 0.00 O ATOM 346 CB HIS A 18 -0.313 -0.034 5.574 1.00 0.00 C ATOM 347 CG HIS A 18 0.079 0.225 4.144 1.00 0.00 C ATOM 348 ND1 HIS A 18 0.890 1.238 3.777 1.00 0.00 N ATOM 349 CD2 HIS A 18 -0.319 -0.404 2.981 1.00 0.00 C ATOM 350 CE1 HIS A 18 1.034 1.217 2.536 1.00 0.00 C ATOM 351 NE2 HIS A 18 0.277 0.241 1.951 1.00 0.00 N ATOM 0 H HIS A 18 -0.050 -2.807 6.164 1.00 0.00 H new ATOM 0 HA HIS A 18 1.615 -0.469 6.602 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -1.277 -0.541 5.551 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -0.475 0.938 6.039 1.00 0.00 H new ATOM 0 HD1 HIS A 18 1.317 1.913 4.411 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -0.983 -1.253 2.907 1.00 0.00 H new ATOM 0 HE1 HIS A 18 1.679 1.890 1.991 1.00 0.00 H new ATOM 359 N THR A 19 0.272 0.339 8.511 1.00 0.00 N ATOM 360 CA THR A 19 -0.376 0.811 9.784 1.00 0.00 C ATOM 361 C THR A 19 -1.074 2.159 9.469 1.00 0.00 C ATOM 362 O THR A 19 -0.750 2.788 8.487 1.00 0.00 O ATOM 363 CB THR A 19 0.639 0.920 10.942 1.00 0.00 C ATOM 364 OG1 THR A 19 1.565 1.895 10.581 1.00 0.00 O ATOM 365 CG2 THR A 19 1.302 -0.438 11.139 1.00 0.00 C ATOM 0 H THR A 19 1.044 0.929 8.202 1.00 0.00 H new ATOM 0 HA THR A 19 -1.114 0.087 10.130 1.00 0.00 H new ATOM 0 HB THR A 19 0.166 1.200 11.883 1.00 0.00 H new ATOM 0 HG1 THR A 19 2.459 1.496 10.534 1.00 0.00 H new ATOM 0 HG21 THR A 19 2.022 -0.376 11.955 1.00 0.00 H new ATOM 0 HG22 THR A 19 0.543 -1.182 11.381 1.00 0.00 H new ATOM 0 HG23 THR A 19 1.816 -0.728 10.223 1.00 0.00 H new ATOM 373 N VAL A 20 -2.081 2.488 10.282 1.00 0.00 N ATOM 374 CA VAL A 20 -2.768 3.764 10.070 1.00 0.00 C ATOM 375 C VAL A 20 -2.667 4.776 11.204 1.00 0.00 C ATOM 376 O VAL A 20 -2.921 5.984 11.023 1.00 0.00 O ATOM 377 CB VAL A 20 -4.255 3.518 9.724 1.00 0.00 C ATOM 378 CG1 VAL A 20 -4.639 2.759 8.538 1.00 0.00 C ATOM 379 CG2 VAL A 20 -4.931 2.785 10.862 1.00 0.00 C ATOM 0 H VAL A 20 -2.426 1.921 11.056 1.00 0.00 H new ATOM 0 HA VAL A 20 -2.235 4.222 9.237 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.561 4.545 9.526 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -5.726 2.702 8.479 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -4.253 3.255 7.648 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -4.226 1.752 8.601 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -5.978 2.614 10.613 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -4.435 1.828 11.023 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -4.867 3.385 11.770 1.00 0.00 H new ATOM 389 N GLU A 21 -2.285 4.289 12.314 1.00 0.00 N ATOM 390 CA GLU A 21 -2.233 5.099 13.534 1.00 0.00 C ATOM 391 C GLU A 21 -1.112 6.112 13.560 1.00 0.00 C ATOM 392 O GLU A 21 -0.026 5.947 13.094 1.00 0.00 O ATOM 393 CB GLU A 21 -2.080 4.188 14.754 1.00 0.00 C ATOM 394 CG GLU A 21 -0.879 3.228 14.562 1.00 0.00 C ATOM 395 CD GLU A 21 -1.251 1.874 13.986 1.00 0.00 C ATOM 396 OE1 GLU A 21 -2.339 1.718 13.433 1.00 0.00 O ATOM 397 OE2 GLU A 21 -0.294 0.993 14.256 1.00 0.00 O ATOM 0 H GLU A 21 -1.992 3.320 12.439 1.00 0.00 H new ATOM 0 HA GLU A 21 -3.171 5.655 13.555 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -1.933 4.791 15.650 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -2.994 3.613 14.904 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.151 3.702 13.904 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -0.390 3.079 15.525 1.00 0.00 H new ATOM 404 N LYS A 22 -1.390 7.205 14.252 1.00 0.00 N ATOM 405 CA LYS A 22 -0.344 8.254 14.450 1.00 0.00 C ATOM 406 C LYS A 22 0.725 7.627 15.300 1.00 0.00 C ATOM 407 O LYS A 22 0.422 7.076 16.332 1.00 0.00 O ATOM 408 CB LYS A 22 -1.005 9.339 15.262 1.00 0.00 C ATOM 409 CG LYS A 22 -0.196 10.282 16.110 1.00 0.00 C ATOM 410 CD LYS A 22 -0.137 11.552 15.323 1.00 0.00 C ATOM 411 CE LYS A 22 0.807 12.577 15.992 1.00 0.00 C ATOM 412 NZ LYS A 22 1.352 13.424 14.914 1.00 0.00 N ATOM 0 H LYS A 22 -2.293 7.407 14.682 1.00 0.00 H new ATOM 0 HA LYS A 22 0.066 8.638 13.516 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -1.580 9.950 14.567 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -1.720 8.850 15.924 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -0.664 10.441 17.081 1.00 0.00 H new ATOM 0 HG3 LYS A 22 0.802 9.887 16.298 1.00 0.00 H new ATOM 0 HD2 LYS A 22 0.209 11.341 14.311 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -1.137 11.977 15.236 1.00 0.00 H new ATOM 0 HE2 LYS A 22 0.267 13.180 16.722 1.00 0.00 H new ATOM 0 HE3 LYS A 22 1.609 12.070 16.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 1.996 14.132 15.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 1.873 12.831 14.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 0.572 13.907 14.424 1.00 0.00 H new ATOM 426 N GLY A 23 1.992 7.671 14.866 1.00 0.00 N ATOM 427 CA GLY A 23 3.010 6.993 15.715 1.00 0.00 C ATOM 428 C GLY A 23 3.162 5.519 15.451 1.00 0.00 C ATOM 429 O GLY A 23 3.838 4.793 16.229 1.00 0.00 O ATOM 0 H GLY A 23 2.328 8.121 14.015 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.974 7.478 15.561 1.00 0.00 H new ATOM 0 HA3 GLY A 23 2.745 7.136 16.762 1.00 0.00 H new ATOM 433 N GLY A 24 2.486 5.042 14.406 1.00 0.00 N ATOM 434 CA GLY A 24 2.528 3.684 13.883 1.00 0.00 C ATOM 435 C GLY A 24 3.834 3.660 13.003 1.00 0.00 C ATOM 436 O GLY A 24 4.213 4.663 12.382 1.00 0.00 O ATOM 0 H GLY A 24 1.854 5.636 13.870 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.573 2.948 14.685 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.642 3.456 13.290 1.00 0.00 H new ATOM 440 N PRO A 25 4.403 2.480 13.002 1.00 0.00 N ATOM 441 CA PRO A 25 5.584 2.312 12.181 1.00 0.00 C ATOM 442 C PRO A 25 5.342 1.996 10.751 1.00 0.00 C ATOM 443 O PRO A 25 4.355 1.445 10.251 1.00 0.00 O ATOM 444 CB PRO A 25 6.289 1.091 12.876 1.00 0.00 C ATOM 445 CG PRO A 25 5.154 0.222 13.278 1.00 0.00 C ATOM 446 CD PRO A 25 4.071 1.257 13.732 1.00 0.00 C ATOM 0 HA PRO A 25 6.149 3.243 12.132 1.00 0.00 H new ATOM 0 HB2 PRO A 25 6.967 0.577 12.194 1.00 0.00 H new ATOM 0 HB3 PRO A 25 6.880 1.405 13.737 1.00 0.00 H new ATOM 0 HG2 PRO A 25 4.803 -0.394 12.450 1.00 0.00 H new ATOM 0 HG3 PRO A 25 5.430 -0.456 14.086 1.00 0.00 H new ATOM 0 HD2 PRO A 25 3.066 0.911 13.490 1.00 0.00 H new ATOM 0 HD3 PRO A 25 4.103 1.417 14.810 1.00 0.00 H new ATOM 454 N HIS A 26 6.411 2.239 9.934 1.00 0.00 N ATOM 455 CA HIS A 26 6.494 1.763 8.560 1.00 0.00 C ATOM 456 C HIS A 26 6.648 0.265 8.668 1.00 0.00 C ATOM 457 O HIS A 26 7.438 -0.184 9.580 1.00 0.00 O ATOM 458 CB HIS A 26 7.593 2.410 7.749 1.00 0.00 C ATOM 459 CG HIS A 26 7.564 3.906 7.650 1.00 0.00 C ATOM 460 ND1 HIS A 26 6.334 4.563 7.411 1.00 0.00 N ATOM 461 CD2 HIS A 26 8.545 4.866 7.710 1.00 0.00 C ATOM 462 CE1 HIS A 26 6.596 5.812 7.392 1.00 0.00 C ATOM 463 NE2 HIS A 26 7.975 6.094 7.520 1.00 0.00 N ATOM 0 H HIS A 26 7.228 2.773 10.231 1.00 0.00 H new ATOM 0 HA HIS A 26 5.597 2.039 8.005 1.00 0.00 H new ATOM 0 HB2 HIS A 26 8.551 2.116 8.178 1.00 0.00 H new ATOM 0 HB3 HIS A 26 7.557 2.001 6.739 1.00 0.00 H new ATOM 0 HD2 HIS A 26 9.595 4.681 7.880 1.00 0.00 H new ATOM 0 HE1 HIS A 26 5.840 6.576 7.289 1.00 0.00 H new ATOM 0 HE2 HIS A 26 8.437 7.002 7.480 1.00 0.00 H new ATOM 471 N LYS A 27 6.073 -0.403 7.680 1.00 0.00 N ATOM 472 CA LYS A 27 6.351 -1.879 7.566 1.00 0.00 C ATOM 473 C LYS A 27 6.901 -2.098 6.193 1.00 0.00 C ATOM 474 O LYS A 27 7.785 -1.333 5.707 1.00 0.00 O ATOM 475 CB LYS A 27 5.116 -2.619 8.038 1.00 0.00 C ATOM 476 CG LYS A 27 4.754 -2.277 9.476 1.00 0.00 C ATOM 477 CD LYS A 27 3.730 -3.252 10.042 1.00 0.00 C ATOM 478 CE LYS A 27 2.566 -3.541 9.156 1.00 0.00 C ATOM 479 NZ LYS A 27 1.451 -4.078 9.968 1.00 0.00 N ATOM 0 H LYS A 27 5.449 -0.008 6.976 1.00 0.00 H new ATOM 0 HA LYS A 27 7.121 -2.299 8.213 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.277 -2.375 7.386 1.00 0.00 H new ATOM 0 HB3 LYS A 27 5.283 -3.693 7.953 1.00 0.00 H new ATOM 0 HG2 LYS A 27 5.653 -2.294 10.092 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.356 -1.263 9.521 1.00 0.00 H new ATOM 0 HD2 LYS A 27 4.234 -4.191 10.269 1.00 0.00 H new ATOM 0 HD3 LYS A 27 3.357 -2.854 10.986 1.00 0.00 H new ATOM 0 HE2 LYS A 27 2.252 -2.632 8.642 1.00 0.00 H new ATOM 0 HE3 LYS A 27 2.850 -4.260 8.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.705 -4.437 9.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 1.800 -4.852 10.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.064 -3.322 10.568 1.00 0.00 H new ATOM 493 N CYS A 28 6.280 -3.066 5.451 1.00 0.00 N ATOM 494 CA CYS A 28 6.533 -3.216 4.022 1.00 0.00 C ATOM 495 C CYS A 28 6.222 -1.926 3.310 1.00 0.00 C ATOM 496 O CYS A 28 6.940 -1.388 2.426 1.00 0.00 O ATOM 497 CB CYS A 28 5.659 -4.365 3.520 1.00 0.00 C ATOM 498 SG CYS A 28 6.068 -4.799 1.789 1.00 0.00 S ATOM 0 H CYS A 28 5.612 -3.736 5.833 1.00 0.00 H new ATOM 0 HA CYS A 28 7.581 -3.445 3.826 1.00 0.00 H new ATOM 0 HB2 CYS A 28 5.798 -5.237 4.159 1.00 0.00 H new ATOM 0 HB3 CYS A 28 4.608 -4.083 3.589 1.00 0.00 H new ATOM 503 N GLY A 29 4.985 -1.448 3.675 1.00 0.00 N ATOM 504 CA GLY A 29 4.523 -0.143 3.258 1.00 0.00 C ATOM 505 C GLY A 29 4.601 0.894 4.371 1.00 0.00 C ATOM 506 O GLY A 29 4.758 0.614 5.547 1.00 0.00 O ATOM 0 H GLY A 29 4.321 -1.966 4.251 1.00 0.00 H new ATOM 0 HA2 GLY A 29 5.119 0.195 2.410 1.00 0.00 H new ATOM 0 HA3 GLY A 29 3.492 -0.221 2.912 1.00 0.00 H new ATOM 510 N PRO A 30 4.495 2.198 3.949 1.00 0.00 N ATOM 511 CA PRO A 30 4.595 3.267 4.898 1.00 0.00 C ATOM 512 C PRO A 30 3.354 3.434 5.796 1.00 0.00 C ATOM 513 O PRO A 30 2.327 3.018 5.355 1.00 0.00 O ATOM 514 CB PRO A 30 4.733 4.521 4.099 1.00 0.00 C ATOM 515 CG PRO A 30 4.188 4.205 2.760 1.00 0.00 C ATOM 516 CD PRO A 30 4.350 2.691 2.581 1.00 0.00 C ATOM 0 HA PRO A 30 5.435 3.050 5.558 1.00 0.00 H new ATOM 0 HB2 PRO A 30 4.185 5.342 4.561 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.776 4.831 4.034 1.00 0.00 H new ATOM 0 HG2 PRO A 30 3.140 4.496 2.687 1.00 0.00 H new ATOM 0 HG3 PRO A 30 4.725 4.749 1.983 1.00 0.00 H new ATOM 0 HD2 PRO A 30 3.485 2.251 2.086 1.00 0.00 H new ATOM 0 HD3 PRO A 30 5.222 2.450 1.973 1.00 0.00 H new ATOM 524 N ASN A 31 3.618 3.935 6.937 1.00 0.00 N ATOM 525 CA ASN A 31 2.498 4.291 7.852 1.00 0.00 C ATOM 526 C ASN A 31 1.674 5.302 7.025 1.00 0.00 C ATOM 527 O ASN A 31 2.222 6.159 6.326 1.00 0.00 O ATOM 528 CB ASN A 31 2.965 4.820 9.186 1.00 0.00 C ATOM 529 CG ASN A 31 1.808 5.539 9.957 1.00 0.00 C ATOM 530 OD1 ASN A 31 1.715 6.794 9.834 1.00 0.00 O ATOM 531 ND2 ASN A 31 1.123 4.666 10.676 1.00 0.00 N ATOM 0 H ASN A 31 4.555 4.121 7.295 1.00 0.00 H new ATOM 0 HA ASN A 31 1.903 3.428 8.152 1.00 0.00 H new ATOM 0 HB2 ASN A 31 3.350 3.998 9.790 1.00 0.00 H new ATOM 0 HB3 ASN A 31 3.789 5.517 9.034 1.00 0.00 H new ATOM 0 HD21 ASN A 31 0.358 4.984 11.271 1.00 0.00 H new ATOM 0 HD22 ASN A 31 1.359 3.675 10.635 1.00 0.00 H new ATOM 538 N LEU A 32 0.327 5.154 7.078 1.00 0.00 N ATOM 539 CA LEU A 32 -0.504 6.091 6.360 1.00 0.00 C ATOM 540 C LEU A 32 -1.175 7.227 7.165 1.00 0.00 C ATOM 541 O LEU A 32 -2.015 7.957 6.569 1.00 0.00 O ATOM 542 CB LEU A 32 -1.599 5.280 5.631 1.00 0.00 C ATOM 543 CG LEU A 32 -1.245 4.195 4.633 1.00 0.00 C ATOM 544 CD1 LEU A 32 -2.382 3.241 4.400 1.00 0.00 C ATOM 545 CD2 LEU A 32 -0.684 4.673 3.331 1.00 0.00 C ATOM 0 H LEU A 32 -0.168 4.424 7.591 1.00 0.00 H new ATOM 0 HA LEU A 32 0.182 6.622 5.699 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.215 4.815 6.401 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -2.231 5.998 5.108 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.428 3.664 5.121 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.079 2.483 3.678 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.651 2.759 5.340 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.242 3.787 4.013 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.466 3.817 2.693 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.410 5.319 2.837 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.234 5.232 3.514 1.00 0.00 H new ATOM 557 N HIS A 33 -0.854 7.395 8.418 1.00 0.00 N ATOM 558 CA HIS A 33 -1.474 8.549 9.130 1.00 0.00 C ATOM 559 C HIS A 33 -1.187 9.801 8.368 1.00 0.00 C ATOM 560 O HIS A 33 -0.022 10.032 7.879 1.00 0.00 O ATOM 561 CB HIS A 33 -0.996 8.687 10.500 1.00 0.00 C ATOM 562 CG HIS A 33 -2.090 9.235 11.423 1.00 0.00 C ATOM 563 ND1 HIS A 33 -3.098 8.431 11.875 1.00 0.00 N ATOM 564 CD2 HIS A 33 -2.228 10.526 11.920 1.00 0.00 C ATOM 565 CE1 HIS A 33 -3.826 9.222 12.645 1.00 0.00 C ATOM 566 NE2 HIS A 33 -3.359 10.501 12.644 1.00 0.00 N ATOM 0 H HIS A 33 -0.218 6.812 8.962 1.00 0.00 H new ATOM 0 HA HIS A 33 -2.547 8.367 9.185 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -0.659 7.718 10.868 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -0.134 9.353 10.520 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -3.254 7.445 11.666 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -1.569 11.366 11.759 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -4.688 8.893 13.207 1.00 0.00 H new ATOM 574 N GLY A 34 -2.237 10.667 8.280 1.00 0.00 N ATOM 575 CA GLY A 34 -2.175 11.924 7.588 1.00 0.00 C ATOM 576 C GLY A 34 -2.036 11.900 6.117 1.00 0.00 C ATOM 577 O GLY A 34 -1.730 12.932 5.572 1.00 0.00 O ATOM 0 H GLY A 34 -3.146 10.481 8.703 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.079 12.483 7.829 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -1.335 12.487 7.994 1.00 0.00 H new ATOM 581 N ILE A 35 -2.325 10.803 5.448 1.00 0.00 N ATOM 582 CA ILE A 35 -2.191 10.637 4.010 1.00 0.00 C ATOM 583 C ILE A 35 -3.045 11.585 3.197 1.00 0.00 C ATOM 584 O ILE A 35 -2.701 12.091 2.120 1.00 0.00 O ATOM 585 CB ILE A 35 -2.322 9.194 3.550 1.00 0.00 C ATOM 586 CG1 ILE A 35 -1.835 9.072 2.127 1.00 0.00 C ATOM 587 CG2 ILE A 35 -3.680 8.585 3.698 1.00 0.00 C ATOM 588 CD1 ILE A 35 -0.348 8.723 1.918 1.00 0.00 C ATOM 0 H ILE A 35 -2.676 9.964 5.910 1.00 0.00 H new ATOM 0 HA ILE A 35 -1.161 10.926 3.803 1.00 0.00 H new ATOM 0 HB ILE A 35 -1.696 8.615 4.229 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -2.434 8.309 1.629 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -2.035 10.016 1.620 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.658 7.556 3.340 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -3.972 8.598 4.748 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -4.401 9.157 3.114 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -0.134 8.667 0.851 1.00 0.00 H new ATOM 0 HD12 ILE A 35 0.274 9.494 2.373 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.131 7.761 2.383 1.00 0.00 H new ATOM 600 N PHE A 36 -4.217 11.817 3.727 1.00 0.00 N ATOM 601 CA PHE A 36 -5.165 12.744 3.022 1.00 0.00 C ATOM 602 C PHE A 36 -4.647 14.156 2.978 1.00 0.00 C ATOM 603 O PHE A 36 -4.268 14.689 4.020 1.00 0.00 O ATOM 604 CB PHE A 36 -6.548 12.552 3.646 1.00 0.00 C ATOM 605 CG PHE A 36 -7.062 11.222 3.229 1.00 0.00 C ATOM 606 CD1 PHE A 36 -7.351 11.003 1.902 1.00 0.00 C ATOM 607 CD2 PHE A 36 -7.109 10.214 4.174 1.00 0.00 C ATOM 608 CE1 PHE A 36 -7.873 9.787 1.496 1.00 0.00 C ATOM 609 CE2 PHE A 36 -7.612 8.949 3.778 1.00 0.00 C ATOM 610 CZ PHE A 36 -7.998 8.762 2.447 1.00 0.00 C ATOM 0 H PHE A 36 -4.559 11.416 4.600 1.00 0.00 H new ATOM 0 HA PHE A 36 -5.254 12.500 1.963 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -6.487 12.613 4.733 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -7.226 13.341 3.320 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -7.170 11.781 1.176 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -6.772 10.385 5.186 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -8.177 9.630 0.472 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -7.696 8.143 4.492 1.00 0.00 H new ATOM 0 HZ PHE A 36 -8.401 7.807 2.144 1.00 0.00 H new ATOM 620 N GLY A 37 -4.597 14.695 1.798 1.00 0.00 N ATOM 621 CA GLY A 37 -4.057 16.051 1.567 1.00 0.00 C ATOM 622 C GLY A 37 -2.540 16.159 1.336 1.00 0.00 C ATOM 623 O GLY A 37 -2.030 17.234 1.011 1.00 0.00 O ATOM 0 H GLY A 37 -4.923 14.228 0.952 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -4.564 16.477 0.701 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -4.316 16.671 2.425 1.00 0.00 H new ATOM 627 N ARG A 38 -1.827 15.096 1.580 1.00 0.00 N ATOM 628 CA ARG A 38 -0.328 15.046 1.411 1.00 0.00 C ATOM 629 C ARG A 38 -0.100 14.489 0.051 1.00 0.00 C ATOM 630 O ARG A 38 -1.036 13.879 -0.558 1.00 0.00 O ATOM 631 CB ARG A 38 0.306 14.350 2.594 1.00 0.00 C ATOM 632 CG ARG A 38 1.645 13.682 2.525 1.00 0.00 C ATOM 633 CD ARG A 38 2.142 13.136 3.820 1.00 0.00 C ATOM 634 NE ARG A 38 1.889 11.713 3.956 1.00 0.00 N ATOM 635 CZ ARG A 38 1.656 11.095 5.098 1.00 0.00 C ATOM 636 NH1 ARG A 38 1.744 11.781 6.257 1.00 0.00 N ATOM 637 NH2 ARG A 38 1.386 9.796 5.155 1.00 0.00 N ATOM 0 H ARG A 38 -2.231 14.217 1.904 1.00 0.00 H new ATOM 0 HA ARG A 38 0.178 16.011 1.435 1.00 0.00 H new ATOM 0 HB2 ARG A 38 0.370 15.091 3.391 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -0.403 13.590 2.922 1.00 0.00 H new ATOM 0 HG2 ARG A 38 1.592 12.869 1.801 1.00 0.00 H new ATOM 0 HG3 ARG A 38 2.373 14.399 2.146 1.00 0.00 H new ATOM 0 HD2 ARG A 38 3.213 13.321 3.902 1.00 0.00 H new ATOM 0 HD3 ARG A 38 1.663 13.667 4.643 1.00 0.00 H new ATOM 0 HE ARG A 38 1.892 11.149 3.106 1.00 0.00 H new ATOM 0 HH11 ARG A 38 1.989 12.771 6.246 1.00 0.00 H new ATOM 0 HH12 ARG A 38 1.565 11.309 7.144 1.00 0.00 H new ATOM 0 HH21 ARG A 38 1.354 9.244 4.298 1.00 0.00 H new ATOM 0 HH22 ARG A 38 1.211 9.351 6.056 1.00 0.00 H new ATOM 651 N HIS A 39 1.072 14.772 -0.507 1.00 0.00 N ATOM 652 CA HIS A 39 1.398 14.237 -1.840 1.00 0.00 C ATOM 653 C HIS A 39 2.097 12.889 -1.566 1.00 0.00 C ATOM 654 O HIS A 39 2.551 12.600 -0.425 1.00 0.00 O ATOM 655 CB HIS A 39 2.304 15.183 -2.637 1.00 0.00 C ATOM 656 CG HIS A 39 1.660 16.478 -3.057 1.00 0.00 C ATOM 657 ND1 HIS A 39 1.597 17.583 -2.221 1.00 0.00 N ATOM 658 CD2 HIS A 39 1.114 16.842 -4.275 1.00 0.00 C ATOM 659 CE1 HIS A 39 1.003 18.512 -2.929 1.00 0.00 C ATOM 660 NE2 HIS A 39 0.717 18.151 -4.161 1.00 0.00 N ATOM 0 H HIS A 39 1.797 15.349 -0.080 1.00 0.00 H new ATOM 0 HA HIS A 39 0.504 14.121 -2.452 1.00 0.00 H new ATOM 0 HB2 HIS A 39 3.184 15.411 -2.036 1.00 0.00 H new ATOM 0 HB3 HIS A 39 2.653 14.662 -3.529 1.00 0.00 H new ATOM 0 HD2 HIS A 39 1.018 16.215 -5.149 1.00 0.00 H new ATOM 0 HE1 HIS A 39 0.768 19.490 -2.535 1.00 0.00 H new ATOM 0 HE2 HIS A 39 0.287 18.727 -4.885 1.00 0.00 H new ATOM 668 N SER A 40 2.113 12.107 -2.621 1.00 0.00 N ATOM 669 CA SER A 40 2.756 10.783 -2.606 1.00 0.00 C ATOM 670 C SER A 40 4.301 10.930 -2.404 1.00 0.00 C ATOM 671 O SER A 40 4.892 11.930 -2.769 1.00 0.00 O ATOM 672 CB SER A 40 2.466 10.006 -3.834 1.00 0.00 C ATOM 673 OG SER A 40 2.896 10.717 -4.995 1.00 0.00 O ATOM 0 H SER A 40 1.688 12.354 -3.515 1.00 0.00 H new ATOM 0 HA SER A 40 2.337 10.228 -1.767 1.00 0.00 H new ATOM 0 HB2 SER A 40 2.969 9.040 -3.786 1.00 0.00 H new ATOM 0 HB3 SER A 40 1.397 9.806 -3.899 1.00 0.00 H new ATOM 0 HG SER A 40 3.614 10.217 -5.437 1.00 0.00 H new ATOM 679 N GLY A 41 4.843 9.938 -1.710 1.00 0.00 N ATOM 680 CA GLY A 41 6.305 9.927 -1.453 1.00 0.00 C ATOM 681 C GLY A 41 6.843 10.822 -0.381 1.00 0.00 C ATOM 682 O GLY A 41 8.061 11.135 -0.399 1.00 0.00 O ATOM 0 H GLY A 41 4.327 9.149 -1.320 1.00 0.00 H new ATOM 0 HA2 GLY A 41 6.592 8.904 -1.208 1.00 0.00 H new ATOM 0 HA3 GLY A 41 6.808 10.184 -2.385 1.00 0.00 H new ATOM 686 N GLN A 42 6.113 11.227 0.627 1.00 0.00 N ATOM 687 CA GLN A 42 6.558 12.230 1.608 1.00 0.00 C ATOM 688 C GLN A 42 6.623 11.853 3.074 1.00 0.00 C ATOM 689 O GLN A 42 6.903 12.678 4.015 1.00 0.00 O ATOM 690 CB GLN A 42 5.797 13.554 1.505 1.00 0.00 C ATOM 691 CG GLN A 42 5.741 14.228 0.168 1.00 0.00 C ATOM 692 CD GLN A 42 6.824 14.983 -0.483 1.00 0.00 C ATOM 693 OE1 GLN A 42 6.867 15.049 -1.753 1.00 0.00 O ATOM 694 NE2 GLN A 42 7.650 15.656 0.298 1.00 0.00 N ATOM 0 H GLN A 42 5.173 10.873 0.807 1.00 0.00 H new ATOM 0 HA GLN A 42 7.596 12.320 1.287 1.00 0.00 H new ATOM 0 HB2 GLN A 42 4.773 13.378 1.834 1.00 0.00 H new ATOM 0 HB3 GLN A 42 6.243 14.252 2.213 1.00 0.00 H new ATOM 0 HG2 GLN A 42 5.465 13.447 -0.540 1.00 0.00 H new ATOM 0 HG3 GLN A 42 4.899 14.918 0.225 1.00 0.00 H new ATOM 0 HE21 GLN A 42 7.577 15.571 1.312 1.00 0.00 H new ATOM 0 HE22 GLN A 42 8.361 16.261 -0.113 1.00 0.00 H new ATOM 703 N ALA A 43 6.223 10.613 3.366 1.00 0.00 N ATOM 704 CA ALA A 43 6.392 10.077 4.732 1.00 0.00 C ATOM 705 C ALA A 43 7.947 9.949 4.972 1.00 0.00 C ATOM 706 O ALA A 43 8.784 9.365 4.229 1.00 0.00 O ATOM 707 CB ALA A 43 5.820 8.688 4.833 1.00 0.00 C ATOM 0 H ALA A 43 5.791 9.972 2.701 1.00 0.00 H new ATOM 0 HA ALA A 43 5.893 10.728 5.449 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.955 8.312 5.847 1.00 0.00 H new ATOM 0 HB2 ALA A 43 4.757 8.714 4.594 1.00 0.00 H new ATOM 0 HB3 ALA A 43 6.334 8.031 4.131 1.00 0.00 H new ATOM 713 N GLU A 44 8.404 10.497 6.123 1.00 0.00 N ATOM 714 CA GLU A 44 9.868 10.405 6.322 1.00 0.00 C ATOM 715 C GLU A 44 10.267 9.049 6.879 1.00 0.00 C ATOM 716 O GLU A 44 9.510 8.386 7.589 1.00 0.00 O ATOM 717 CB GLU A 44 10.596 11.486 7.072 1.00 0.00 C ATOM 718 CG GLU A 44 10.127 12.185 8.300 1.00 0.00 C ATOM 719 CD GLU A 44 11.238 13.117 8.794 1.00 0.00 C ATOM 720 OE1 GLU A 44 12.419 12.796 8.718 1.00 0.00 O ATOM 721 OE2 GLU A 44 10.706 14.255 9.177 1.00 0.00 O ATOM 0 H GLU A 44 7.856 10.956 6.851 1.00 0.00 H new ATOM 0 HA GLU A 44 10.207 10.561 5.298 1.00 0.00 H new ATOM 0 HB2 GLU A 44 11.564 11.059 7.332 1.00 0.00 H new ATOM 0 HB3 GLU A 44 10.781 12.273 6.341 1.00 0.00 H new ATOM 0 HG2 GLU A 44 9.223 12.756 8.087 1.00 0.00 H new ATOM 0 HG3 GLU A 44 9.872 11.460 9.073 1.00 0.00 H new ATOM 728 N GLY A 45 11.492 8.590 6.411 1.00 0.00 N ATOM 729 CA GLY A 45 12.037 7.353 6.852 1.00 0.00 C ATOM 730 C GLY A 45 11.610 6.145 6.057 1.00 0.00 C ATOM 731 O GLY A 45 11.864 5.035 6.542 1.00 0.00 O ATOM 0 H GLY A 45 12.071 9.092 5.738 1.00 0.00 H new ATOM 0 HA2 GLY A 45 13.124 7.422 6.822 1.00 0.00 H new ATOM 0 HA3 GLY A 45 11.755 7.201 7.894 1.00 0.00 H new ATOM 735 N TYR A 46 10.934 6.392 4.955 1.00 0.00 N ATOM 736 CA TYR A 46 10.499 5.338 4.070 1.00 0.00 C ATOM 737 C TYR A 46 11.142 5.502 2.699 1.00 0.00 C ATOM 738 O TYR A 46 11.229 6.513 2.067 1.00 0.00 O ATOM 739 CB TYR A 46 8.959 5.356 3.907 1.00 0.00 C ATOM 740 CG TYR A 46 8.508 4.103 3.180 1.00 0.00 C ATOM 741 CD1 TYR A 46 8.377 2.898 3.878 1.00 0.00 C ATOM 742 CD2 TYR A 46 8.304 4.150 1.790 1.00 0.00 C ATOM 743 CE1 TYR A 46 8.084 1.723 3.222 1.00 0.00 C ATOM 744 CE2 TYR A 46 7.964 2.979 1.140 1.00 0.00 C ATOM 745 CZ TYR A 46 7.852 1.758 1.830 1.00 0.00 C ATOM 746 OH TYR A 46 7.578 0.646 1.104 1.00 0.00 O ATOM 0 H TYR A 46 10.672 7.329 4.650 1.00 0.00 H new ATOM 0 HA TYR A 46 10.802 4.387 4.509 1.00 0.00 H new ATOM 0 HB2 TYR A 46 8.481 5.413 4.885 1.00 0.00 H new ATOM 0 HB3 TYR A 46 8.653 6.242 3.350 1.00 0.00 H new ATOM 0 HD1 TYR A 46 8.508 2.889 4.950 1.00 0.00 H new ATOM 0 HD2 TYR A 46 8.410 5.076 1.245 1.00 0.00 H new ATOM 0 HE1 TYR A 46 8.033 0.790 3.764 1.00 0.00 H new ATOM 0 HE2 TYR A 46 7.780 3.002 0.076 1.00 0.00 H new ATOM 0 HH TYR A 46 7.128 -0.013 1.673 1.00 0.00 H new ATOM 756 N SER A 47 11.583 4.302 2.211 1.00 0.00 N ATOM 757 CA SER A 47 12.162 4.216 0.900 1.00 0.00 C ATOM 758 C SER A 47 11.211 3.910 -0.224 1.00 0.00 C ATOM 759 O SER A 47 10.863 2.813 -0.714 1.00 0.00 O ATOM 760 CB SER A 47 13.400 3.181 1.014 1.00 0.00 C ATOM 761 OG SER A 47 13.711 3.030 -0.315 1.00 0.00 O ATOM 0 H SER A 47 11.536 3.419 2.719 1.00 0.00 H new ATOM 0 HA SER A 47 12.504 5.207 0.601 1.00 0.00 H new ATOM 0 HB2 SER A 47 14.230 3.587 1.592 1.00 0.00 H new ATOM 0 HB3 SER A 47 13.114 2.240 1.484 1.00 0.00 H new ATOM 0 HG SER A 47 14.467 2.413 -0.406 1.00 0.00 H new ATOM 767 N TYR A 48 10.583 4.993 -0.732 1.00 0.00 N ATOM 768 CA TYR A 48 9.630 4.870 -1.862 1.00 0.00 C ATOM 769 C TYR A 48 10.354 4.524 -3.173 1.00 0.00 C ATOM 770 O TYR A 48 11.523 4.915 -3.267 1.00 0.00 O ATOM 771 CB TYR A 48 8.989 6.233 -2.118 1.00 0.00 C ATOM 772 CG TYR A 48 8.052 6.574 -0.957 1.00 0.00 C ATOM 773 CD1 TYR A 48 6.710 6.145 -1.075 1.00 0.00 C ATOM 774 CD2 TYR A 48 8.374 7.525 -0.053 1.00 0.00 C ATOM 775 CE1 TYR A 48 5.805 6.571 -0.098 1.00 0.00 C ATOM 776 CE2 TYR A 48 7.527 7.906 0.997 1.00 0.00 C ATOM 777 CZ TYR A 48 6.201 7.415 0.914 1.00 0.00 C ATOM 778 OH TYR A 48 5.318 7.885 1.851 1.00 0.00 O ATOM 0 H TYR A 48 10.713 5.944 -0.388 1.00 0.00 H new ATOM 0 HA TYR A 48 8.912 4.094 -1.594 1.00 0.00 H new ATOM 0 HB2 TYR A 48 9.759 6.998 -2.216 1.00 0.00 H new ATOM 0 HB3 TYR A 48 8.434 6.217 -3.056 1.00 0.00 H new ATOM 0 HD1 TYR A 48 6.395 5.511 -1.891 1.00 0.00 H new ATOM 0 HD2 TYR A 48 9.332 8.016 -0.144 1.00 0.00 H new ATOM 0 HE1 TYR A 48 4.780 6.233 -0.138 1.00 0.00 H new ATOM 0 HE2 TYR A 48 7.862 8.530 1.812 1.00 0.00 H new ATOM 0 HH TYR A 48 4.415 7.899 1.471 1.00 0.00 H new ATOM 788 N THR A 49 9.685 4.035 -4.170 1.00 0.00 N ATOM 789 CA THR A 49 10.129 3.874 -5.491 1.00 0.00 C ATOM 790 C THR A 49 10.174 5.305 -6.161 1.00 0.00 C ATOM 791 O THR A 49 9.580 6.217 -5.659 1.00 0.00 O ATOM 792 CB THR A 49 9.227 3.012 -6.395 1.00 0.00 C ATOM 793 OG1 THR A 49 7.957 3.646 -6.530 1.00 0.00 O ATOM 794 CG2 THR A 49 9.143 1.564 -5.956 1.00 0.00 C ATOM 0 H THR A 49 8.725 3.712 -4.052 1.00 0.00 H new ATOM 0 HA THR A 49 11.091 3.367 -5.415 1.00 0.00 H new ATOM 0 HB THR A 49 9.683 2.951 -7.383 1.00 0.00 H new ATOM 0 HG1 THR A 49 7.269 3.094 -6.104 1.00 0.00 H new ATOM 0 HG21 THR A 49 8.492 1.015 -6.636 1.00 0.00 H new ATOM 0 HG22 THR A 49 10.139 1.121 -5.970 1.00 0.00 H new ATOM 0 HG23 THR A 49 8.738 1.513 -4.946 1.00 0.00 H new ATOM 802 N ASP A 50 11.014 5.346 -7.223 1.00 0.00 N ATOM 803 CA ASP A 50 11.196 6.532 -8.021 1.00 0.00 C ATOM 804 C ASP A 50 9.764 6.950 -8.547 1.00 0.00 C ATOM 805 O ASP A 50 9.621 8.155 -8.486 1.00 0.00 O ATOM 806 CB ASP A 50 12.128 6.349 -9.224 1.00 0.00 C ATOM 807 CG ASP A 50 13.598 6.549 -8.984 1.00 0.00 C ATOM 808 OD1 ASP A 50 14.051 6.962 -7.829 1.00 0.00 O ATOM 809 OD2 ASP A 50 14.497 6.361 -9.867 1.00 0.00 O ATOM 0 H ASP A 50 11.572 4.549 -7.531 1.00 0.00 H new ATOM 0 HA ASP A 50 11.668 7.288 -7.393 1.00 0.00 H new ATOM 0 HB2 ASP A 50 11.982 5.342 -9.615 1.00 0.00 H new ATOM 0 HB3 ASP A 50 11.815 7.043 -10.004 1.00 0.00 H new ATOM 814 N ALA A 51 9.055 5.974 -9.019 1.00 0.00 N ATOM 815 CA ALA A 51 7.711 6.021 -9.602 1.00 0.00 C ATOM 816 C ALA A 51 6.655 6.702 -8.754 1.00 0.00 C ATOM 817 O ALA A 51 5.869 7.595 -9.193 1.00 0.00 O ATOM 818 CB ALA A 51 7.217 4.614 -9.938 1.00 0.00 C ATOM 0 H ALA A 51 9.421 5.022 -9.015 1.00 0.00 H new ATOM 0 HA ALA A 51 7.836 6.631 -10.496 1.00 0.00 H new ATOM 0 HB1 ALA A 51 6.218 4.673 -10.369 1.00 0.00 H new ATOM 0 HB2 ALA A 51 7.895 4.152 -10.655 1.00 0.00 H new ATOM 0 HB3 ALA A 51 7.185 4.013 -9.029 1.00 0.00 H new ATOM 824 N ASN A 52 6.622 6.309 -7.483 1.00 0.00 N ATOM 825 CA ASN A 52 5.628 6.958 -6.578 1.00 0.00 C ATOM 826 C ASN A 52 5.914 8.415 -6.348 1.00 0.00 C ATOM 827 O ASN A 52 5.037 9.340 -6.424 1.00 0.00 O ATOM 828 CB ASN A 52 5.532 6.158 -5.289 1.00 0.00 C ATOM 829 CG ASN A 52 4.803 6.893 -4.163 1.00 0.00 C ATOM 830 OD1 ASN A 52 5.271 7.922 -3.591 1.00 0.00 O ATOM 831 ND2 ASN A 52 3.720 6.311 -3.781 1.00 0.00 N ATOM 0 H ASN A 52 7.218 5.597 -7.061 1.00 0.00 H new ATOM 0 HA ASN A 52 4.652 6.947 -7.064 1.00 0.00 H new ATOM 0 HB2 ASN A 52 5.016 5.219 -5.492 1.00 0.00 H new ATOM 0 HB3 ASN A 52 6.537 5.904 -4.954 1.00 0.00 H new ATOM 0 HD21 ASN A 52 3.198 6.677 -2.985 1.00 0.00 H new ATOM 0 HD22 ASN A 52 3.384 5.484 -4.275 1.00 0.00 H new ATOM 838 N ILE A 53 7.125 8.721 -6.041 1.00 0.00 N ATOM 839 CA ILE A 53 7.536 10.095 -5.774 1.00 0.00 C ATOM 840 C ILE A 53 7.287 11.131 -6.875 1.00 0.00 C ATOM 841 O ILE A 53 7.038 12.293 -6.528 1.00 0.00 O ATOM 842 CB ILE A 53 9.085 9.997 -5.571 1.00 0.00 C ATOM 843 CG1 ILE A 53 9.419 9.248 -4.288 1.00 0.00 C ATOM 844 CG2 ILE A 53 9.740 11.331 -5.569 1.00 0.00 C ATOM 845 CD1 ILE A 53 10.807 9.389 -3.623 1.00 0.00 C ATOM 0 H ILE A 53 7.878 8.038 -5.962 1.00 0.00 H new ATOM 0 HA ILE A 53 6.942 10.453 -4.933 1.00 0.00 H new ATOM 0 HB ILE A 53 9.477 9.439 -6.421 1.00 0.00 H new ATOM 0 HG12 ILE A 53 8.678 9.541 -3.545 1.00 0.00 H new ATOM 0 HG13 ILE A 53 9.267 8.187 -4.489 1.00 0.00 H new ATOM 0 HG21 ILE A 53 10.814 11.209 -5.425 1.00 0.00 H new ATOM 0 HG22 ILE A 53 9.556 11.828 -6.521 1.00 0.00 H new ATOM 0 HG23 ILE A 53 9.332 11.936 -4.759 1.00 0.00 H new ATOM 0 HD11 ILE A 53 10.843 8.776 -2.722 1.00 0.00 H new ATOM 0 HD12 ILE A 53 11.579 9.058 -4.318 1.00 0.00 H new ATOM 0 HD13 ILE A 53 10.980 10.432 -3.359 1.00 0.00 H new ATOM 857 N LYS A 54 7.542 10.766 -8.091 1.00 0.00 N ATOM 858 CA LYS A 54 7.524 11.584 -9.302 1.00 0.00 C ATOM 859 C LYS A 54 6.106 11.679 -9.874 1.00 0.00 C ATOM 860 O LYS A 54 5.872 12.538 -10.691 1.00 0.00 O ATOM 861 CB LYS A 54 8.384 10.932 -10.414 1.00 0.00 C ATOM 862 CG LYS A 54 9.840 10.679 -10.103 1.00 0.00 C ATOM 863 CD LYS A 54 10.932 11.532 -10.760 1.00 0.00 C ATOM 864 CE LYS A 54 12.024 10.593 -11.259 1.00 0.00 C ATOM 865 NZ LYS A 54 13.058 11.231 -12.117 1.00 0.00 N ATOM 0 H LYS A 54 7.794 9.800 -8.300 1.00 0.00 H new ATOM 0 HA LYS A 54 7.907 12.565 -9.022 1.00 0.00 H new ATOM 0 HB2 LYS A 54 7.925 9.980 -10.681 1.00 0.00 H new ATOM 0 HB3 LYS A 54 8.333 11.569 -11.297 1.00 0.00 H new ATOM 0 HG2 LYS A 54 9.961 10.776 -9.024 1.00 0.00 H new ATOM 0 HG3 LYS A 54 10.048 9.639 -10.355 1.00 0.00 H new ATOM 0 HD2 LYS A 54 10.519 12.110 -11.587 1.00 0.00 H new ATOM 0 HD3 LYS A 54 11.340 12.246 -10.045 1.00 0.00 H new ATOM 0 HE2 LYS A 54 12.516 10.142 -10.397 1.00 0.00 H new ATOM 0 HE3 LYS A 54 11.557 9.783 -11.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 13.756 10.517 -12.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 12.606 11.637 -12.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 13.535 11.985 -11.583 1.00 0.00 H new ATOM 879 N LYS A 55 5.302 10.797 -9.381 1.00 0.00 N ATOM 880 CA LYS A 55 3.889 10.731 -9.744 1.00 0.00 C ATOM 881 C LYS A 55 3.194 11.915 -9.029 1.00 0.00 C ATOM 882 O LYS A 55 2.277 12.550 -9.573 1.00 0.00 O ATOM 883 CB LYS A 55 3.332 9.331 -9.515 1.00 0.00 C ATOM 884 CG LYS A 55 1.832 9.326 -9.374 1.00 0.00 C ATOM 885 CD LYS A 55 1.147 9.369 -10.721 1.00 0.00 C ATOM 886 CE LYS A 55 -0.342 9.548 -10.566 1.00 0.00 C ATOM 887 NZ LYS A 55 -0.980 8.923 -11.754 1.00 0.00 N ATOM 0 H LYS A 55 5.590 10.087 -8.708 1.00 0.00 H new ATOM 0 HA LYS A 55 3.700 10.865 -10.809 1.00 0.00 H new ATOM 0 HB2 LYS A 55 3.618 8.688 -10.348 1.00 0.00 H new ATOM 0 HB3 LYS A 55 3.780 8.907 -8.616 1.00 0.00 H new ATOM 0 HG2 LYS A 55 1.520 8.432 -8.835 1.00 0.00 H new ATOM 0 HG3 LYS A 55 1.519 10.183 -8.778 1.00 0.00 H new ATOM 0 HD2 LYS A 55 1.555 10.187 -11.314 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.351 8.447 -11.266 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -0.693 9.078 -9.647 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -0.599 10.605 -10.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -2.005 9.098 -11.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -0.579 9.335 -12.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -0.804 7.898 -11.744 1.00 0.00 H new ATOM 901 N ASN A 56 3.712 12.342 -7.913 1.00 0.00 N ATOM 902 CA ASN A 56 3.332 13.442 -7.081 1.00 0.00 C ATOM 903 C ASN A 56 1.815 13.531 -6.953 1.00 0.00 C ATOM 904 O ASN A 56 1.415 14.663 -7.062 1.00 0.00 O ATOM 905 CB ASN A 56 3.945 14.817 -7.471 1.00 0.00 C ATOM 906 CG ASN A 56 4.043 15.945 -6.455 1.00 0.00 C ATOM 907 OD1 ASN A 56 4.215 15.689 -5.163 1.00 0.00 O flip ATOM 908 ND2 ASN A 56 4.012 17.194 -6.789 1.00 0.00 N flip ATOM 0 H ASN A 56 4.518 11.859 -7.516 1.00 0.00 H new ATOM 0 HA ASN A 56 3.768 13.216 -6.108 1.00 0.00 H new ATOM 0 HB2 ASN A 56 4.955 14.625 -7.834 1.00 0.00 H new ATOM 0 HB3 ASN A 56 3.369 15.196 -8.315 1.00 0.00 H new ATOM 0 HD21 ASN A 56 3.883 17.458 -7.766 1.00 0.00 H new ATOM 0 HD22 ASN A 56 4.117 17.915 -6.076 1.00 0.00 H new ATOM 915 N VAL A 57 1.151 12.407 -6.700 1.00 0.00 N ATOM 916 CA VAL A 57 -0.290 12.488 -6.430 1.00 0.00 C ATOM 917 C VAL A 57 -0.693 13.204 -5.139 1.00 0.00 C ATOM 918 O VAL A 57 -0.108 13.064 -4.030 1.00 0.00 O ATOM 919 CB VAL A 57 -0.834 11.042 -6.345 1.00 0.00 C ATOM 920 CG1 VAL A 57 -2.349 11.051 -6.401 1.00 0.00 C ATOM 921 CG2 VAL A 57 -0.179 10.222 -7.427 1.00 0.00 C ATOM 0 H VAL A 57 1.557 11.472 -6.675 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.707 13.082 -7.243 1.00 0.00 H new ATOM 0 HB VAL A 57 -0.583 10.576 -5.392 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.721 10.028 -6.340 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.741 11.630 -5.565 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -2.676 11.501 -7.338 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -0.550 9.198 -7.383 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.413 10.651 -8.401 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.901 10.223 -7.281 1.00 0.00 H new ATOM 931 N LEU A 58 -1.752 14.064 -5.263 1.00 0.00 N ATOM 932 CA LEU A 58 -2.287 14.686 -4.063 1.00 0.00 C ATOM 933 C LEU A 58 -3.420 13.685 -3.681 1.00 0.00 C ATOM 934 O LEU A 58 -4.420 13.429 -4.387 1.00 0.00 O ATOM 935 CB LEU A 58 -2.682 16.108 -4.182 1.00 0.00 C ATOM 936 CG LEU A 58 -3.013 17.040 -3.030 1.00 0.00 C ATOM 937 CD1 LEU A 58 -4.384 17.008 -2.430 1.00 0.00 C ATOM 938 CD2 LEU A 58 -2.059 17.016 -1.844 1.00 0.00 C ATOM 0 H LEU A 58 -2.212 14.316 -6.138 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.543 14.816 -3.277 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.875 16.593 -4.731 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.559 16.117 -4.830 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.913 17.951 -3.620 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -4.444 17.736 -1.621 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -5.122 17.253 -3.194 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -4.586 16.012 -2.037 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.401 17.723 -1.088 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.033 16.013 -1.418 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -1.059 17.295 -2.176 1.00 0.00 H new ATOM 950 N TRP A 59 -3.261 13.131 -2.499 1.00 0.00 N ATOM 951 CA TRP A 59 -4.169 12.110 -2.026 1.00 0.00 C ATOM 952 C TRP A 59 -5.457 12.706 -1.427 1.00 0.00 C ATOM 953 O TRP A 59 -5.429 13.324 -0.394 1.00 0.00 O ATOM 954 CB TRP A 59 -3.489 11.192 -1.031 1.00 0.00 C ATOM 955 CG TRP A 59 -2.354 10.308 -1.508 1.00 0.00 C ATOM 956 CD1 TRP A 59 -1.042 10.358 -1.134 1.00 0.00 C ATOM 957 CD2 TRP A 59 -2.461 9.323 -2.498 1.00 0.00 C ATOM 958 NE1 TRP A 59 -0.335 9.406 -1.820 1.00 0.00 N ATOM 959 CE2 TRP A 59 -1.140 8.736 -2.644 1.00 0.00 C ATOM 960 CE3 TRP A 59 -3.509 8.862 -3.324 1.00 0.00 C ATOM 961 CZ2 TRP A 59 -0.895 7.713 -3.566 1.00 0.00 C ATOM 962 CZ3 TRP A 59 -3.247 7.849 -4.207 1.00 0.00 C ATOM 963 CH2 TRP A 59 -1.934 7.269 -4.316 1.00 0.00 C ATOM 0 H TRP A 59 -2.512 13.370 -1.849 1.00 0.00 H new ATOM 0 HA TRP A 59 -4.460 11.521 -2.895 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -3.106 11.811 -0.220 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -4.254 10.544 -0.604 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -0.626 11.042 -0.409 1.00 0.00 H new ATOM 0 HE1 TRP A 59 0.665 9.234 -1.715 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -4.495 9.298 -3.261 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 0.092 7.289 -3.677 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -4.043 7.477 -4.835 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -1.772 6.460 -5.013 1.00 0.00 H new ATOM 974 N ASP A 60 -6.493 12.414 -2.138 1.00 0.00 N ATOM 975 CA ASP A 60 -7.895 12.903 -1.767 1.00 0.00 C ATOM 976 C ASP A 60 -8.713 11.625 -1.824 1.00 0.00 C ATOM 977 O ASP A 60 -8.184 10.674 -2.471 1.00 0.00 O ATOM 978 CB ASP A 60 -8.360 14.025 -2.693 1.00 0.00 C ATOM 979 CG ASP A 60 -8.640 13.487 -4.014 1.00 0.00 C ATOM 980 OD1 ASP A 60 -9.185 12.441 -4.204 1.00 0.00 O ATOM 981 OD2 ASP A 60 -8.246 14.164 -5.023 1.00 0.00 O ATOM 0 H ASP A 60 -6.458 11.846 -2.985 1.00 0.00 H new ATOM 0 HA ASP A 60 -7.976 13.374 -0.788 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -9.253 14.498 -2.286 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -7.593 14.796 -2.759 1.00 0.00 H new ATOM 986 N GLU A 61 -9.839 11.569 -1.167 1.00 0.00 N ATOM 987 CA GLU A 61 -10.713 10.340 -1.211 1.00 0.00 C ATOM 988 C GLU A 61 -10.960 9.881 -2.589 1.00 0.00 C ATOM 989 O GLU A 61 -11.153 8.676 -3.016 1.00 0.00 O ATOM 990 CB GLU A 61 -12.043 10.679 -0.479 1.00 0.00 C ATOM 991 CG GLU A 61 -12.622 12.083 -0.751 1.00 0.00 C ATOM 992 CD GLU A 61 -14.075 12.461 -0.737 1.00 0.00 C ATOM 993 OE1 GLU A 61 -14.463 12.509 0.521 1.00 0.00 O ATOM 994 OE2 GLU A 61 -14.817 12.729 -1.692 1.00 0.00 O ATOM 0 H GLU A 61 -10.204 12.328 -0.591 1.00 0.00 H new ATOM 0 HA GLU A 61 -10.205 9.514 -0.712 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -12.790 9.938 -0.762 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -11.882 10.575 0.594 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -12.140 12.744 -0.030 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -12.255 12.366 -1.738 1.00 0.00 H new ATOM 1001 N ASN A 62 -10.858 10.777 -3.568 1.00 0.00 N ATOM 1002 CA ASN A 62 -11.155 10.498 -4.976 1.00 0.00 C ATOM 1003 C ASN A 62 -10.069 9.804 -5.850 1.00 0.00 C ATOM 1004 O ASN A 62 -10.284 8.990 -6.752 1.00 0.00 O ATOM 1005 CB ASN A 62 -11.650 11.781 -5.631 1.00 0.00 C ATOM 1006 CG ASN A 62 -12.948 12.463 -5.229 1.00 0.00 C ATOM 1007 OD1 ASN A 62 -13.741 12.085 -4.344 1.00 0.00 O ATOM 1008 ND2 ASN A 62 -13.203 13.614 -5.864 1.00 0.00 N ATOM 0 H ASN A 62 -10.560 11.739 -3.404 1.00 0.00 H new ATOM 0 HA ASN A 62 -11.917 9.720 -4.935 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -10.859 12.520 -5.504 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -11.725 11.575 -6.699 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -14.030 14.159 -5.620 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -12.570 13.946 -6.592 1.00 0.00 H new ATOM 1015 N ASN A 63 -8.835 10.231 -5.722 1.00 0.00 N ATOM 1016 CA ASN A 63 -7.568 9.797 -6.323 1.00 0.00 C ATOM 1017 C ASN A 63 -7.246 8.360 -5.847 1.00 0.00 C ATOM 1018 O ASN A 63 -6.878 7.404 -6.487 1.00 0.00 O ATOM 1019 CB ASN A 63 -6.489 10.725 -5.672 1.00 0.00 C ATOM 1020 CG ASN A 63 -5.683 11.354 -6.745 1.00 0.00 C ATOM 1021 OD1 ASN A 63 -4.816 10.702 -7.445 1.00 0.00 O ATOM 1022 ND2 ASN A 63 -5.894 12.642 -6.987 1.00 0.00 N ATOM 0 H ASN A 63 -8.658 11.016 -5.096 1.00 0.00 H new ATOM 0 HA ASN A 63 -7.601 9.835 -7.412 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -6.969 11.491 -5.063 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -5.846 10.147 -5.008 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -5.372 13.115 -7.725 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -6.579 13.159 -6.435 1.00 0.00 H new ATOM 1029 N MET A 64 -7.494 8.363 -4.527 1.00 0.00 N ATOM 1030 CA MET A 64 -7.375 7.127 -3.705 1.00 0.00 C ATOM 1031 C MET A 64 -8.237 6.038 -4.251 1.00 0.00 C ATOM 1032 O MET A 64 -7.805 4.894 -4.323 1.00 0.00 O ATOM 1033 CB MET A 64 -7.619 7.382 -2.226 1.00 0.00 C ATOM 1034 CG MET A 64 -7.340 6.024 -1.552 1.00 0.00 C ATOM 1035 SD MET A 64 -5.648 5.813 -1.144 1.00 0.00 S ATOM 1036 CE MET A 64 -5.331 7.172 -0.011 1.00 0.00 C ATOM 0 H MET A 64 -7.775 9.192 -4.003 1.00 0.00 H new ATOM 0 HA MET A 64 -6.341 6.788 -3.774 1.00 0.00 H new ATOM 0 HB2 MET A 64 -6.958 8.159 -1.842 1.00 0.00 H new ATOM 0 HB3 MET A 64 -8.641 7.714 -2.043 1.00 0.00 H new ATOM 0 HG2 MET A 64 -7.942 5.941 -0.647 1.00 0.00 H new ATOM 0 HG3 MET A 64 -7.653 5.220 -2.218 1.00 0.00 H new ATOM 0 HE1 MET A 64 -4.530 6.895 0.674 1.00 0.00 H new ATOM 0 HE2 MET A 64 -5.036 8.056 -0.576 1.00 0.00 H new ATOM 0 HE3 MET A 64 -6.235 7.390 0.557 1.00 0.00 H new ATOM 1046 N SER A 65 -9.435 6.372 -4.702 1.00 0.00 N ATOM 1047 CA SER A 65 -10.344 5.349 -5.272 1.00 0.00 C ATOM 1048 C SER A 65 -9.820 4.747 -6.567 1.00 0.00 C ATOM 1049 O SER A 65 -9.882 3.534 -6.779 1.00 0.00 O ATOM 1050 CB SER A 65 -11.807 5.869 -5.492 1.00 0.00 C ATOM 1051 OG SER A 65 -12.717 4.928 -5.879 1.00 0.00 O ATOM 0 H SER A 65 -9.810 7.320 -4.693 1.00 0.00 H new ATOM 0 HA SER A 65 -10.375 4.567 -4.513 1.00 0.00 H new ATOM 0 HB2 SER A 65 -12.155 6.324 -4.565 1.00 0.00 H new ATOM 0 HB3 SER A 65 -11.784 6.657 -6.245 1.00 0.00 H new ATOM 0 HG SER A 65 -13.596 5.348 -5.988 1.00 0.00 H new ATOM 1057 N GLU A 66 -9.269 5.645 -7.407 1.00 0.00 N ATOM 1058 CA GLU A 66 -8.788 5.247 -8.709 1.00 0.00 C ATOM 1059 C GLU A 66 -7.473 4.403 -8.490 1.00 0.00 C ATOM 1060 O GLU A 66 -7.280 3.427 -9.117 1.00 0.00 O ATOM 1061 CB GLU A 66 -8.449 6.365 -9.661 1.00 0.00 C ATOM 1062 CG GLU A 66 -9.302 6.948 -10.805 1.00 0.00 C ATOM 1063 CD GLU A 66 -9.986 8.221 -10.389 1.00 0.00 C ATOM 1064 OE1 GLU A 66 -10.170 8.446 -9.158 1.00 0.00 O ATOM 1065 OE2 GLU A 66 -10.500 9.004 -11.322 1.00 0.00 O ATOM 0 H GLU A 66 -9.155 6.636 -7.194 1.00 0.00 H new ATOM 0 HA GLU A 66 -9.610 4.700 -9.172 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -8.216 7.217 -9.022 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -7.517 6.058 -10.135 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -8.669 7.140 -11.671 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -10.049 6.216 -11.113 1.00 0.00 H new ATOM 1072 N TYR A 67 -6.701 4.907 -7.546 1.00 0.00 N ATOM 1073 CA TYR A 67 -5.459 4.180 -7.155 1.00 0.00 C ATOM 1074 C TYR A 67 -5.787 2.750 -6.750 1.00 0.00 C ATOM 1075 O TYR A 67 -5.284 1.679 -7.261 1.00 0.00 O ATOM 1076 CB TYR A 67 -4.685 4.987 -6.114 1.00 0.00 C ATOM 1077 CG TYR A 67 -3.394 4.345 -5.599 1.00 0.00 C ATOM 1078 CD1 TYR A 67 -2.367 3.960 -6.483 1.00 0.00 C ATOM 1079 CD2 TYR A 67 -3.270 4.081 -4.237 1.00 0.00 C ATOM 1080 CE1 TYR A 67 -1.189 3.403 -5.970 1.00 0.00 C ATOM 1081 CE2 TYR A 67 -2.131 3.393 -3.754 1.00 0.00 C ATOM 1082 CZ TYR A 67 -1.106 3.115 -4.642 1.00 0.00 C ATOM 1083 OH TYR A 67 0.113 2.585 -4.171 1.00 0.00 O ATOM 0 H TYR A 67 -6.880 5.776 -7.042 1.00 0.00 H new ATOM 0 HA TYR A 67 -4.786 4.085 -8.007 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -4.439 5.958 -6.544 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -5.341 5.172 -5.263 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -2.487 4.093 -7.548 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -4.041 4.400 -3.551 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -0.352 3.203 -6.623 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -2.063 3.093 -2.719 1.00 0.00 H new ATOM 0 HH TYR A 67 -0.065 1.792 -3.624 1.00 0.00 H new ATOM 1093 N LEU A 68 -6.682 2.577 -5.764 1.00 0.00 N ATOM 1094 CA LEU A 68 -7.085 1.297 -5.237 1.00 0.00 C ATOM 1095 C LEU A 68 -7.712 0.367 -6.222 1.00 0.00 C ATOM 1096 O LEU A 68 -7.653 -0.894 -6.139 1.00 0.00 O ATOM 1097 CB LEU A 68 -7.936 1.390 -3.912 1.00 0.00 C ATOM 1098 CG LEU A 68 -7.151 2.005 -2.777 1.00 0.00 C ATOM 1099 CD1 LEU A 68 -8.013 2.132 -1.535 1.00 0.00 C ATOM 1100 CD2 LEU A 68 -5.881 1.305 -2.416 1.00 0.00 C ATOM 0 H LEU A 68 -7.150 3.360 -5.308 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.129 0.842 -4.976 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -8.831 1.984 -4.097 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -8.269 0.393 -3.624 1.00 0.00 H new ATOM 0 HG LEU A 68 -6.857 2.983 -3.159 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -7.428 2.577 -0.730 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -8.873 2.766 -1.752 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -8.358 1.144 -1.229 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -5.398 1.829 -1.591 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -6.103 0.281 -2.115 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.214 1.293 -3.278 1.00 0.00 H new ATOM 1112 N THR A 69 -8.183 0.931 -7.356 1.00 0.00 N ATOM 1113 CA THR A 69 -8.718 0.062 -8.387 1.00 0.00 C ATOM 1114 C THR A 69 -7.680 -0.841 -9.009 1.00 0.00 C ATOM 1115 O THR A 69 -7.948 -1.940 -9.422 1.00 0.00 O ATOM 1116 CB THR A 69 -9.431 0.883 -9.529 1.00 0.00 C ATOM 1117 OG1 THR A 69 -10.303 1.644 -8.801 1.00 0.00 O ATOM 1118 CG2 THR A 69 -10.069 -0.125 -10.472 1.00 0.00 C ATOM 0 H THR A 69 -8.199 1.930 -7.561 1.00 0.00 H new ATOM 0 HA THR A 69 -9.446 -0.567 -7.874 1.00 0.00 H new ATOM 0 HB THR A 69 -8.820 1.516 -10.172 1.00 0.00 H new ATOM 0 HG1 THR A 69 -10.820 2.217 -9.405 1.00 0.00 H new ATOM 0 HG21 THR A 69 -10.575 0.403 -11.280 1.00 0.00 H new ATOM 0 HG22 THR A 69 -9.297 -0.772 -10.889 1.00 0.00 H new ATOM 0 HG23 THR A 69 -10.792 -0.729 -9.924 1.00 0.00 H new ATOM 1126 N ASN A 70 -6.493 -0.256 -9.156 1.00 0.00 N ATOM 1127 CA ASN A 70 -5.353 -0.862 -9.840 1.00 0.00 C ATOM 1128 C ASN A 70 -4.159 0.057 -9.690 1.00 0.00 C ATOM 1129 O ASN A 70 -3.908 0.939 -10.561 1.00 0.00 O ATOM 1130 CB ASN A 70 -5.737 -1.050 -11.307 1.00 0.00 C ATOM 1131 CG ASN A 70 -4.862 -2.146 -11.865 1.00 0.00 C ATOM 1132 OD1 ASN A 70 -3.626 -2.109 -11.719 1.00 0.00 O ATOM 1133 ND2 ASN A 70 -5.529 -3.163 -12.425 1.00 0.00 N ATOM 0 H ASN A 70 -6.293 0.676 -8.793 1.00 0.00 H new ATOM 0 HA ASN A 70 -5.091 -1.831 -9.416 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -6.790 -1.316 -11.397 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -5.594 -0.124 -11.863 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -5.022 -3.979 -12.766 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -6.545 -3.121 -12.510 1.00 0.00 H new ATOM 1140 N PRO A 71 -3.466 -0.175 -8.567 1.00 0.00 N ATOM 1141 CA PRO A 71 -2.302 0.572 -8.156 1.00 0.00 C ATOM 1142 C PRO A 71 -1.225 0.758 -9.241 1.00 0.00 C ATOM 1143 O PRO A 71 -0.855 1.897 -9.465 1.00 0.00 O ATOM 1144 CB PRO A 71 -1.860 -0.184 -6.885 1.00 0.00 C ATOM 1145 CG PRO A 71 -3.158 -0.677 -6.259 1.00 0.00 C ATOM 1146 CD PRO A 71 -3.869 -1.158 -7.538 1.00 0.00 C ATOM 0 HA PRO A 71 -2.514 1.623 -7.959 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -1.197 -1.014 -7.128 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -1.315 0.470 -6.204 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -3.000 -1.478 -5.537 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -3.705 0.113 -5.744 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -3.561 -2.168 -7.809 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -4.951 -1.179 -7.409 1.00 0.00 H new ATOM 1154 N LYS A 72 -0.854 -0.350 -9.864 1.00 0.00 N ATOM 1155 CA LYS A 72 0.182 -0.347 -10.918 1.00 0.00 C ATOM 1156 C LYS A 72 -0.186 0.304 -12.225 1.00 0.00 C ATOM 1157 O LYS A 72 0.623 0.819 -12.952 1.00 0.00 O ATOM 1158 CB LYS A 72 0.578 -1.805 -11.225 1.00 0.00 C ATOM 1159 CG LYS A 72 1.475 -2.192 -10.048 1.00 0.00 C ATOM 1160 CD LYS A 72 2.085 -3.597 -10.215 1.00 0.00 C ATOM 1161 CE LYS A 72 2.938 -3.839 -8.954 1.00 0.00 C ATOM 1162 NZ LYS A 72 3.990 -4.842 -9.183 1.00 0.00 N ATOM 0 H LYS A 72 -1.248 -1.270 -9.667 1.00 0.00 H new ATOM 0 HA LYS A 72 0.989 0.257 -10.503 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.297 -2.452 -11.292 1.00 0.00 H new ATOM 0 HB3 LYS A 72 1.107 -1.885 -12.175 1.00 0.00 H new ATOM 0 HG2 LYS A 72 2.276 -1.460 -9.949 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.895 -2.157 -9.126 1.00 0.00 H new ATOM 0 HD2 LYS A 72 1.305 -4.353 -10.310 1.00 0.00 H new ATOM 0 HD3 LYS A 72 2.695 -3.653 -11.116 1.00 0.00 H new ATOM 0 HE2 LYS A 72 3.394 -2.900 -8.640 1.00 0.00 H new ATOM 0 HE3 LYS A 72 2.294 -4.169 -8.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 4.540 -4.974 -8.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 3.554 -5.745 -9.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 4.621 -4.516 -9.943 1.00 0.00 H new ATOM 1176 N LYS A 73 -1.521 0.354 -12.460 1.00 0.00 N ATOM 1177 CA LYS A 73 -2.072 1.020 -13.667 1.00 0.00 C ATOM 1178 C LYS A 73 -1.963 2.485 -13.325 1.00 0.00 C ATOM 1179 O LYS A 73 -1.495 3.183 -14.254 1.00 0.00 O ATOM 1180 CB LYS A 73 -3.441 0.526 -14.061 1.00 0.00 C ATOM 1181 CG LYS A 73 -4.046 0.962 -15.387 1.00 0.00 C ATOM 1182 CD LYS A 73 -3.246 0.815 -16.648 1.00 0.00 C ATOM 1183 CE LYS A 73 -3.939 1.368 -17.905 1.00 0.00 C ATOM 1184 NZ LYS A 73 -3.078 1.899 -18.977 1.00 0.00 N ATOM 0 H LYS A 73 -2.225 -0.051 -11.842 1.00 0.00 H new ATOM 0 HA LYS A 73 -1.526 0.791 -14.582 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -3.407 -0.563 -14.061 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -4.134 0.823 -13.274 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -4.973 0.405 -15.522 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -4.317 2.014 -15.293 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -2.291 1.324 -16.520 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -3.026 -0.241 -16.804 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -4.552 0.573 -18.329 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -4.617 2.162 -17.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -3.670 2.238 -19.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -2.509 2.687 -18.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -2.446 1.147 -19.319 1.00 0.00 H new ATOM 1198 N TYR A 74 -2.260 2.899 -12.124 1.00 0.00 N ATOM 1199 CA TYR A 74 -2.204 4.299 -11.664 1.00 0.00 C ATOM 1200 C TYR A 74 -0.803 4.871 -11.477 1.00 0.00 C ATOM 1201 O TYR A 74 -0.511 6.013 -11.839 1.00 0.00 O ATOM 1202 CB TYR A 74 -3.053 4.363 -10.339 1.00 0.00 C ATOM 1203 CG TYR A 74 -3.405 5.805 -10.060 1.00 0.00 C ATOM 1204 CD1 TYR A 74 -4.448 6.452 -10.792 1.00 0.00 C ATOM 1205 CD2 TYR A 74 -2.690 6.577 -9.146 1.00 0.00 C ATOM 1206 CE1 TYR A 74 -4.641 7.803 -10.723 1.00 0.00 C ATOM 1207 CE2 TYR A 74 -2.969 7.920 -8.999 1.00 0.00 C ATOM 1208 CZ TYR A 74 -3.944 8.530 -9.780 1.00 0.00 C ATOM 1209 OH TYR A 74 -4.192 9.841 -9.600 1.00 0.00 O ATOM 0 H TYR A 74 -2.563 2.258 -11.391 1.00 0.00 H new ATOM 0 HA TYR A 74 -2.614 4.939 -12.446 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -3.959 3.766 -10.441 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -2.487 3.944 -9.507 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -5.100 5.858 -11.415 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -1.913 6.121 -8.550 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -5.328 8.294 -11.396 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -2.425 8.503 -8.270 1.00 0.00 H new ATOM 0 HH TYR A 74 -4.523 9.989 -8.690 1.00 0.00 H new ATOM 1219 N ILE A 75 0.095 4.085 -10.840 1.00 0.00 N ATOM 1220 CA ILE A 75 1.548 4.430 -10.634 1.00 0.00 C ATOM 1221 C ILE A 75 2.406 3.319 -11.160 1.00 0.00 C ATOM 1222 O ILE A 75 2.850 2.304 -10.533 1.00 0.00 O ATOM 1223 CB ILE A 75 1.972 4.774 -9.240 1.00 0.00 C ATOM 1224 CG1 ILE A 75 0.834 5.569 -8.545 1.00 0.00 C ATOM 1225 CG2 ILE A 75 3.259 5.551 -9.297 1.00 0.00 C ATOM 1226 CD1 ILE A 75 1.209 6.245 -7.208 1.00 0.00 C ATOM 0 H ILE A 75 -0.157 3.179 -10.444 1.00 0.00 H new ATOM 0 HA ILE A 75 1.684 5.358 -11.190 1.00 0.00 H new ATOM 0 HB ILE A 75 2.153 3.874 -8.653 1.00 0.00 H new ATOM 0 HG12 ILE A 75 0.480 6.337 -9.233 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -0.001 4.892 -8.367 1.00 0.00 H new ATOM 0 HG21 ILE A 75 3.575 5.806 -8.285 1.00 0.00 H new ATOM 0 HG22 ILE A 75 4.029 4.946 -9.776 1.00 0.00 H new ATOM 0 HG23 ILE A 75 3.107 6.465 -9.871 1.00 0.00 H new ATOM 0 HD11 ILE A 75 0.341 6.772 -6.811 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.531 5.486 -6.495 1.00 0.00 H new ATOM 0 HD13 ILE A 75 2.020 6.955 -7.374 1.00 0.00 H new ATOM 1238 N PRO A 76 2.654 3.386 -12.474 1.00 0.00 N ATOM 1239 CA PRO A 76 3.358 2.313 -13.137 1.00 0.00 C ATOM 1240 C PRO A 76 4.826 2.368 -12.506 1.00 0.00 C ATOM 1241 O PRO A 76 5.465 3.409 -12.499 1.00 0.00 O ATOM 1242 CB PRO A 76 3.280 2.612 -14.594 1.00 0.00 C ATOM 1243 CG PRO A 76 2.298 3.775 -14.701 1.00 0.00 C ATOM 1244 CD PRO A 76 2.274 4.525 -13.381 1.00 0.00 C ATOM 0 HA PRO A 76 2.967 1.304 -13.008 1.00 0.00 H new ATOM 0 HB2 PRO A 76 4.257 2.881 -14.995 1.00 0.00 H new ATOM 0 HB3 PRO A 76 2.931 1.747 -15.157 1.00 0.00 H new ATOM 0 HG2 PRO A 76 2.594 4.444 -15.509 1.00 0.00 H new ATOM 0 HG3 PRO A 76 1.301 3.405 -14.942 1.00 0.00 H new ATOM 0 HD2 PRO A 76 2.987 5.348 -13.349 1.00 0.00 H new ATOM 0 HD3 PRO A 76 1.294 4.943 -13.149 1.00 0.00 H new ATOM 1252 N GLY A 77 5.169 1.165 -12.077 1.00 0.00 N ATOM 1253 CA GLY A 77 6.482 1.006 -11.413 1.00 0.00 C ATOM 1254 C GLY A 77 6.435 0.974 -9.912 1.00 0.00 C ATOM 1255 O GLY A 77 7.455 0.924 -9.193 1.00 0.00 O ATOM 0 H GLY A 77 4.605 0.320 -12.161 1.00 0.00 H new ATOM 0 HA2 GLY A 77 6.942 0.083 -11.767 1.00 0.00 H new ATOM 0 HA3 GLY A 77 7.131 1.825 -11.724 1.00 0.00 H new ATOM 1259 N THR A 78 5.232 1.121 -9.281 1.00 0.00 N ATOM 1260 CA THR A 78 5.123 1.161 -7.815 1.00 0.00 C ATOM 1261 C THR A 78 5.490 -0.182 -7.337 1.00 0.00 C ATOM 1262 O THR A 78 5.204 -1.114 -8.107 1.00 0.00 O ATOM 1263 CB THR A 78 3.693 1.650 -7.381 1.00 0.00 C ATOM 1264 OG1 THR A 78 3.750 1.628 -5.969 1.00 0.00 O ATOM 1265 CG2 THR A 78 2.674 0.773 -8.014 1.00 0.00 C ATOM 0 H THR A 78 4.342 1.212 -9.770 1.00 0.00 H new ATOM 0 HA THR A 78 5.798 1.885 -7.359 1.00 0.00 H new ATOM 0 HB THR A 78 3.405 2.650 -7.705 1.00 0.00 H new ATOM 0 HG1 THR A 78 2.891 1.924 -5.602 1.00 0.00 H new ATOM 0 HG21 THR A 78 1.677 1.102 -7.720 1.00 0.00 H new ATOM 0 HG22 THR A 78 2.769 0.828 -9.098 1.00 0.00 H new ATOM 0 HG23 THR A 78 2.827 -0.256 -7.688 1.00 0.00 H new ATOM 1273 N LYS A 79 6.101 -0.365 -6.197 1.00 0.00 N ATOM 1274 CA LYS A 79 6.388 -1.639 -5.673 1.00 0.00 C ATOM 1275 C LYS A 79 5.361 -2.182 -4.748 1.00 0.00 C ATOM 1276 O LYS A 79 5.518 -3.216 -4.116 1.00 0.00 O ATOM 1277 CB LYS A 79 7.681 -1.673 -4.827 1.00 0.00 C ATOM 1278 CG LYS A 79 7.708 -0.790 -3.640 1.00 0.00 C ATOM 1279 CD LYS A 79 9.116 -0.772 -3.004 1.00 0.00 C ATOM 1280 CE LYS A 79 9.264 0.347 -2.045 1.00 0.00 C ATOM 1281 NZ LYS A 79 10.380 0.287 -1.068 1.00 0.00 N ATOM 0 H LYS A 79 6.415 0.402 -5.603 1.00 0.00 H new ATOM 0 HA LYS A 79 6.455 -2.231 -6.586 1.00 0.00 H new ATOM 0 HB2 LYS A 79 7.847 -2.698 -4.495 1.00 0.00 H new ATOM 0 HB3 LYS A 79 8.519 -1.407 -5.471 1.00 0.00 H new ATOM 0 HG2 LYS A 79 7.420 0.221 -3.927 1.00 0.00 H new ATOM 0 HG3 LYS A 79 6.977 -1.134 -2.908 1.00 0.00 H new ATOM 0 HD2 LYS A 79 9.297 -1.717 -2.493 1.00 0.00 H new ATOM 0 HD3 LYS A 79 9.869 -0.684 -3.787 1.00 0.00 H new ATOM 0 HE2 LYS A 79 9.373 1.267 -2.620 1.00 0.00 H new ATOM 0 HE3 LYS A 79 8.333 0.430 -1.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 10.895 1.191 -1.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 9.999 0.111 -0.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 11.029 -0.483 -1.329 1.00 0.00 H new ATOM 1295 N MET A 80 4.236 -1.413 -4.710 1.00 0.00 N ATOM 1296 CA MET A 80 3.040 -1.932 -3.928 1.00 0.00 C ATOM 1297 C MET A 80 2.415 -3.074 -4.697 1.00 0.00 C ATOM 1298 O MET A 80 1.831 -2.758 -5.751 1.00 0.00 O ATOM 1299 CB MET A 80 1.980 -0.837 -3.669 1.00 0.00 C ATOM 1300 CG MET A 80 0.583 -1.275 -3.164 1.00 0.00 C ATOM 1301 SD MET A 80 -0.286 -0.061 -2.334 1.00 0.00 S ATOM 1302 CE MET A 80 -1.958 -0.660 -2.603 1.00 0.00 C ATOM 0 H MET A 80 4.117 -0.507 -5.163 1.00 0.00 H new ATOM 0 HA MET A 80 3.396 -2.267 -2.954 1.00 0.00 H new ATOM 0 HB2 MET A 80 2.393 -0.139 -2.941 1.00 0.00 H new ATOM 0 HB3 MET A 80 1.840 -0.283 -4.597 1.00 0.00 H new ATOM 0 HG2 MET A 80 -0.009 -1.609 -4.016 1.00 0.00 H new ATOM 0 HG3 MET A 80 0.703 -2.134 -2.503 1.00 0.00 H new ATOM 0 HE1 MET A 80 -2.667 0.006 -2.111 1.00 0.00 H new ATOM 0 HE2 MET A 80 -2.167 -0.686 -3.672 1.00 0.00 H new ATOM 0 HE3 MET A 80 -2.056 -1.664 -2.189 1.00 0.00 H new ATOM 1312 N ALA A 81 2.654 -4.266 -4.161 1.00 0.00 N ATOM 1313 CA ALA A 81 2.133 -5.493 -4.731 1.00 0.00 C ATOM 1314 C ALA A 81 0.708 -5.858 -4.271 1.00 0.00 C ATOM 1315 O ALA A 81 0.420 -6.800 -3.488 1.00 0.00 O ATOM 1316 CB ALA A 81 3.009 -6.748 -4.522 1.00 0.00 C ATOM 0 H ALA A 81 3.214 -4.404 -3.320 1.00 0.00 H new ATOM 0 HA ALA A 81 2.131 -5.233 -5.790 1.00 0.00 H new ATOM 0 HB1 ALA A 81 2.528 -7.609 -4.987 1.00 0.00 H new ATOM 0 HB2 ALA A 81 3.987 -6.589 -4.977 1.00 0.00 H new ATOM 0 HB3 ALA A 81 3.131 -6.933 -3.455 1.00 0.00 H new ATOM 1322 N PHE A 82 -0.251 -5.100 -4.823 1.00 0.00 N ATOM 1323 CA PHE A 82 -1.668 -5.263 -4.513 1.00 0.00 C ATOM 1324 C PHE A 82 -2.405 -5.157 -5.839 1.00 0.00 C ATOM 1325 O PHE A 82 -2.218 -4.180 -6.575 1.00 0.00 O ATOM 1326 CB PHE A 82 -2.126 -4.225 -3.450 1.00 0.00 C ATOM 1327 CG PHE A 82 -3.640 -4.230 -3.202 1.00 0.00 C ATOM 1328 CD1 PHE A 82 -4.222 -5.250 -2.512 1.00 0.00 C ATOM 1329 CD2 PHE A 82 -4.417 -3.190 -3.735 1.00 0.00 C ATOM 1330 CE1 PHE A 82 -5.596 -5.250 -2.229 1.00 0.00 C ATOM 1331 CE2 PHE A 82 -5.777 -3.144 -3.459 1.00 0.00 C ATOM 1332 CZ PHE A 82 -6.342 -4.187 -2.713 1.00 0.00 C ATOM 0 H PHE A 82 -0.060 -4.358 -5.496 1.00 0.00 H new ATOM 0 HA PHE A 82 -1.886 -6.229 -4.057 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -1.611 -4.428 -2.511 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -1.822 -3.229 -3.772 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -3.613 -6.076 -2.176 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -3.961 -2.432 -4.355 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -6.053 -6.045 -1.658 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -6.385 -2.324 -3.811 1.00 0.00 H new ATOM 0 HZ PHE A 82 -7.402 -4.161 -2.507 1.00 0.00 H new ATOM 1342 N GLY A 83 -3.188 -6.159 -6.178 1.00 0.00 N ATOM 1343 CA GLY A 83 -3.906 -6.203 -7.404 1.00 0.00 C ATOM 1344 C GLY A 83 -4.942 -5.121 -7.555 1.00 0.00 C ATOM 1345 O GLY A 83 -5.063 -4.674 -8.707 1.00 0.00 O ATOM 0 H GLY A 83 -3.337 -6.976 -5.586 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -3.198 -6.129 -8.229 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -4.396 -7.173 -7.490 1.00 0.00 H new ATOM 1349 N GLY A 84 -5.685 -4.856 -6.487 1.00 0.00 N ATOM 1350 CA GLY A 84 -6.759 -3.824 -6.657 1.00 0.00 C ATOM 1351 C GLY A 84 -8.095 -4.288 -6.032 1.00 0.00 C ATOM 1352 O GLY A 84 -8.331 -5.491 -5.874 1.00 0.00 O ATOM 0 H GLY A 84 -5.598 -5.283 -5.565 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -6.444 -2.890 -6.192 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -6.904 -3.620 -7.718 1.00 0.00 H new ATOM 1356 N LEU A 85 -8.940 -3.330 -5.842 1.00 0.00 N ATOM 1357 CA LEU A 85 -10.295 -3.468 -5.268 1.00 0.00 C ATOM 1358 C LEU A 85 -11.239 -2.963 -6.395 1.00 0.00 C ATOM 1359 O LEU A 85 -11.352 -1.769 -6.570 1.00 0.00 O ATOM 1360 CB LEU A 85 -10.350 -2.636 -3.989 1.00 0.00 C ATOM 1361 CG LEU A 85 -10.102 -3.257 -2.634 1.00 0.00 C ATOM 1362 CD1 LEU A 85 -10.005 -2.208 -1.567 1.00 0.00 C ATOM 1363 CD2 LEU A 85 -11.260 -4.147 -2.243 1.00 0.00 C ATOM 0 H LEU A 85 -8.720 -2.365 -6.087 1.00 0.00 H new ATOM 0 HA LEU A 85 -10.582 -4.479 -4.979 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -9.627 -1.828 -4.105 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -11.338 -2.177 -3.951 1.00 0.00 H new ATOM 0 HG LEU A 85 -9.171 -3.818 -2.713 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -9.826 -2.685 -0.603 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -9.181 -1.532 -1.795 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -10.937 -1.644 -1.526 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -11.067 -4.587 -1.265 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -12.175 -3.556 -2.201 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -11.375 -4.940 -2.981 1.00 0.00 H new ATOM 1375 N LYS A 86 -11.748 -3.925 -7.114 1.00 0.00 N ATOM 1376 CA LYS A 86 -12.584 -3.611 -8.280 1.00 0.00 C ATOM 1377 C LYS A 86 -13.936 -3.090 -7.976 1.00 0.00 C ATOM 1378 O LYS A 86 -14.344 -2.329 -8.873 1.00 0.00 O ATOM 1379 CB LYS A 86 -12.764 -4.822 -9.211 1.00 0.00 C ATOM 1380 CG LYS A 86 -11.448 -5.529 -9.460 1.00 0.00 C ATOM 1381 CD LYS A 86 -10.311 -4.508 -9.651 1.00 0.00 C ATOM 1382 CE LYS A 86 -8.891 -4.995 -9.821 1.00 0.00 C ATOM 1383 NZ LYS A 86 -8.090 -4.000 -10.623 1.00 0.00 N ATOM 0 H LYS A 86 -11.613 -4.920 -6.933 1.00 0.00 H new ATOM 0 HA LYS A 86 -12.018 -2.814 -8.763 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -13.476 -5.520 -8.769 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -13.187 -4.493 -10.160 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -11.217 -6.185 -8.621 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -11.530 -6.160 -10.345 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -10.556 -3.907 -10.526 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -10.325 -3.839 -8.791 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -8.430 -5.141 -8.844 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -8.889 -5.963 -10.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -7.116 -4.347 -10.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -8.523 -3.881 -11.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -8.078 -3.085 -10.129 1.00 0.00 H new ATOM 1397 N LYS A 87 -14.547 -3.408 -6.894 1.00 0.00 N ATOM 1398 CA LYS A 87 -15.912 -2.910 -6.613 1.00 0.00 C ATOM 1399 C LYS A 87 -15.822 -1.583 -5.941 1.00 0.00 C ATOM 1400 O LYS A 87 -15.113 -1.367 -4.958 1.00 0.00 O ATOM 1401 CB LYS A 87 -16.566 -3.932 -5.665 1.00 0.00 C ATOM 1402 CG LYS A 87 -16.780 -5.238 -6.459 1.00 0.00 C ATOM 1403 CD LYS A 87 -17.356 -6.356 -5.615 1.00 0.00 C ATOM 1404 CE LYS A 87 -17.689 -7.611 -6.387 1.00 0.00 C ATOM 1405 NZ LYS A 87 -16.829 -7.794 -7.574 1.00 0.00 N ATOM 0 H LYS A 87 -14.154 -4.008 -6.168 1.00 0.00 H new ATOM 0 HA LYS A 87 -16.494 -2.796 -7.527 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -15.930 -4.111 -4.798 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -17.516 -3.552 -5.290 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -17.448 -5.042 -7.297 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -15.828 -5.561 -6.880 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -16.643 -6.606 -4.829 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -18.260 -5.996 -5.124 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -17.584 -8.475 -5.731 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -18.732 -7.574 -6.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -16.943 -8.761 -7.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -17.103 -7.112 -8.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -15.835 -7.638 -7.310 1.00 0.00 H new ATOM 1419 N GLU A 88 -16.546 -0.645 -6.563 1.00 0.00 N ATOM 1420 CA GLU A 88 -16.660 0.674 -6.014 1.00 0.00 C ATOM 1421 C GLU A 88 -17.203 0.630 -4.554 1.00 0.00 C ATOM 1422 O GLU A 88 -16.828 1.437 -3.727 1.00 0.00 O ATOM 1423 CB GLU A 88 -17.556 1.594 -6.837 1.00 0.00 C ATOM 1424 CG GLU A 88 -17.750 3.045 -6.472 1.00 0.00 C ATOM 1425 CD GLU A 88 -18.839 3.613 -7.383 1.00 0.00 C ATOM 1426 OE1 GLU A 88 -19.270 3.088 -8.355 1.00 0.00 O ATOM 1427 OE2 GLU A 88 -19.372 4.725 -6.891 1.00 0.00 O ATOM 0 H GLU A 88 -17.050 -0.791 -7.438 1.00 0.00 H new ATOM 0 HA GLU A 88 -15.649 1.082 -6.031 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -17.177 1.573 -7.859 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -18.546 1.138 -6.855 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -18.039 3.141 -5.425 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -16.819 3.599 -6.598 1.00 0.00 H new ATOM 1434 N LYS A 89 -18.099 -0.260 -4.275 1.00 0.00 N ATOM 1435 CA LYS A 89 -18.690 -0.277 -2.930 1.00 0.00 C ATOM 1436 C LYS A 89 -17.654 -0.605 -1.850 1.00 0.00 C ATOM 1437 O LYS A 89 -17.702 -0.040 -0.781 1.00 0.00 O ATOM 1438 CB LYS A 89 -19.896 -1.116 -2.732 1.00 0.00 C ATOM 1439 CG LYS A 89 -19.774 -2.576 -3.117 1.00 0.00 C ATOM 1440 CD LYS A 89 -20.512 -3.432 -2.102 1.00 0.00 C ATOM 1441 CE LYS A 89 -21.437 -4.393 -2.829 1.00 0.00 C ATOM 1442 NZ LYS A 89 -22.294 -5.065 -1.854 1.00 0.00 N ATOM 0 H LYS A 89 -18.444 -0.972 -4.919 1.00 0.00 H new ATOM 0 HA LYS A 89 -19.044 0.749 -2.827 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -20.180 -1.063 -1.681 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -20.714 -0.679 -3.305 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -20.188 -2.736 -4.113 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -18.724 -2.866 -3.158 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -19.800 -3.987 -1.492 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -21.086 -2.799 -1.425 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -22.045 -3.853 -3.554 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -20.854 -5.127 -3.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -22.930 -5.724 -2.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -21.704 -5.592 -1.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -22.859 -4.357 -1.342 1.00 0.00 H new ATOM 1456 N ASP A 90 -16.779 -1.481 -2.215 1.00 0.00 N ATOM 1457 CA ASP A 90 -15.596 -1.900 -1.336 1.00 0.00 C ATOM 1458 C ASP A 90 -14.641 -0.764 -1.084 1.00 0.00 C ATOM 1459 O ASP A 90 -14.215 -0.469 0.024 1.00 0.00 O ATOM 1460 CB ASP A 90 -14.909 -3.021 -2.121 1.00 0.00 C ATOM 1461 CG ASP A 90 -15.662 -4.288 -1.975 1.00 0.00 C ATOM 1462 OD1 ASP A 90 -16.575 -4.336 -1.045 1.00 0.00 O ATOM 1463 OD2 ASP A 90 -15.394 -5.221 -2.710 1.00 0.00 O ATOM 0 H ASP A 90 -16.810 -1.959 -3.115 1.00 0.00 H new ATOM 0 HA ASP A 90 -15.930 -2.218 -0.348 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -14.843 -2.749 -3.174 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -13.889 -3.153 -1.761 1.00 0.00 H new ATOM 1468 N ARG A 91 -14.264 -0.110 -2.205 1.00 0.00 N ATOM 1469 CA ARG A 91 -13.464 1.093 -2.129 1.00 0.00 C ATOM 1470 C ARG A 91 -14.153 2.182 -1.274 1.00 0.00 C ATOM 1471 O ARG A 91 -13.399 2.770 -0.462 1.00 0.00 O ATOM 1472 CB ARG A 91 -13.170 1.585 -3.542 1.00 0.00 C ATOM 1473 CG ARG A 91 -12.425 0.613 -4.419 1.00 0.00 C ATOM 1474 CD ARG A 91 -11.742 1.256 -5.575 1.00 0.00 C ATOM 1475 NE ARG A 91 -12.641 2.055 -6.447 1.00 0.00 N ATOM 1476 CZ ARG A 91 -13.320 1.566 -7.462 1.00 0.00 C ATOM 1477 NH1 ARG A 91 -13.328 0.297 -7.801 1.00 0.00 N ATOM 1478 NH2 ARG A 91 -14.090 2.352 -8.167 1.00 0.00 N ATOM 0 H ARG A 91 -14.506 -0.404 -3.151 1.00 0.00 H new ATOM 0 HA ARG A 91 -12.522 0.865 -1.631 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -14.114 1.836 -4.026 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -12.591 2.506 -3.475 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -11.684 0.087 -3.817 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -13.123 -0.137 -4.791 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -10.949 1.903 -5.200 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -11.264 0.482 -6.176 1.00 0.00 H new ATOM 0 HE ARG A 91 -12.738 3.050 -6.245 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -12.784 -0.378 -7.264 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -13.878 -0.014 -8.602 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -14.163 3.341 -7.930 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -14.618 1.976 -8.955 1.00 0.00 H new ATOM 1492 N ASN A 92 -15.462 2.391 -1.454 1.00 0.00 N ATOM 1493 CA ASN A 92 -16.136 3.450 -0.667 1.00 0.00 C ATOM 1494 C ASN A 92 -16.063 3.125 0.801 1.00 0.00 C ATOM 1495 O ASN A 92 -15.722 4.085 1.526 1.00 0.00 O ATOM 1496 CB ASN A 92 -17.574 3.700 -1.138 1.00 0.00 C ATOM 1497 CG ASN A 92 -17.592 4.302 -2.528 1.00 0.00 C ATOM 1498 OD1 ASN A 92 -16.569 4.848 -2.987 1.00 0.00 O ATOM 1499 ND2 ASN A 92 -18.726 4.076 -3.204 1.00 0.00 N ATOM 0 H ASN A 92 -16.058 1.875 -2.101 1.00 0.00 H new ATOM 0 HA ASN A 92 -15.606 4.388 -0.834 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -18.129 2.762 -1.137 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -18.078 4.370 -0.441 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -18.802 4.359 -4.181 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -19.513 3.621 -2.742 1.00 0.00 H new ATOM 1506 N ASP A 93 -16.375 1.880 1.162 1.00 0.00 N ATOM 1507 CA ASP A 93 -16.225 1.438 2.485 1.00 0.00 C ATOM 1508 C ASP A 93 -14.759 1.701 3.006 1.00 0.00 C ATOM 1509 O ASP A 93 -14.591 2.332 4.044 1.00 0.00 O ATOM 1510 CB ASP A 93 -16.627 -0.011 2.667 1.00 0.00 C ATOM 1511 CG ASP A 93 -18.141 -0.231 2.535 1.00 0.00 C ATOM 1512 OD1 ASP A 93 -18.908 0.760 2.629 1.00 0.00 O ATOM 1513 OD2 ASP A 93 -18.502 -1.390 2.187 1.00 0.00 O ATOM 0 H ASP A 93 -16.737 1.174 0.520 1.00 0.00 H new ATOM 0 HA ASP A 93 -16.913 2.025 3.094 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -16.110 -0.622 1.927 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -16.299 -0.353 3.649 1.00 0.00 H new ATOM 1518 N LEU A 94 -13.790 1.207 2.310 1.00 0.00 N ATOM 1519 CA LEU A 94 -12.394 1.332 2.793 1.00 0.00 C ATOM 1520 C LEU A 94 -11.975 2.748 2.932 1.00 0.00 C ATOM 1521 O LEU A 94 -11.433 3.143 3.974 1.00 0.00 O ATOM 1522 CB LEU A 94 -11.467 0.525 1.895 1.00 0.00 C ATOM 1523 CG LEU A 94 -10.011 0.666 2.387 1.00 0.00 C ATOM 1524 CD1 LEU A 94 -9.936 -0.060 3.655 1.00 0.00 C ATOM 1525 CD2 LEU A 94 -9.019 0.146 1.389 1.00 0.00 C ATOM 0 H LEU A 94 -13.901 0.718 1.422 1.00 0.00 H new ATOM 0 HA LEU A 94 -12.333 0.916 3.799 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -11.763 -0.524 1.900 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -11.548 0.874 0.865 1.00 0.00 H new ATOM 0 HG LEU A 94 -9.751 1.716 2.519 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -8.923 0.006 4.052 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -10.634 0.379 4.367 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -10.194 -1.106 3.491 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -8.010 0.268 1.782 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -9.211 -0.911 1.202 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -9.115 0.703 0.457 1.00 0.00 H new ATOM 1537 N ILE A 95 -12.202 3.593 1.979 1.00 0.00 N ATOM 1538 CA ILE A 95 -11.827 5.005 2.022 1.00 0.00 C ATOM 1539 C ILE A 95 -12.545 5.747 3.160 1.00 0.00 C ATOM 1540 O ILE A 95 -12.050 6.693 3.818 1.00 0.00 O ATOM 1541 CB ILE A 95 -12.064 5.657 0.685 1.00 0.00 C ATOM 1542 CG1 ILE A 95 -11.111 4.965 -0.288 1.00 0.00 C ATOM 1543 CG2 ILE A 95 -11.713 7.156 0.751 1.00 0.00 C ATOM 1544 CD1 ILE A 95 -11.293 5.324 -1.741 1.00 0.00 C ATOM 0 H ILE A 95 -12.669 3.329 1.111 1.00 0.00 H new ATOM 0 HA ILE A 95 -10.760 5.066 2.236 1.00 0.00 H new ATOM 0 HB ILE A 95 -13.107 5.567 0.382 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -10.088 5.203 0.002 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -11.230 3.887 -0.181 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -11.889 7.614 -0.222 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -12.337 7.643 1.500 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -10.664 7.272 1.022 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -10.568 4.778 -2.344 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -12.302 5.058 -2.058 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -11.142 6.395 -1.873 1.00 0.00 H new ATOM 1556 N THR A 96 -13.790 5.294 3.397 1.00 0.00 N ATOM 1557 CA THR A 96 -14.593 5.863 4.499 1.00 0.00 C ATOM 1558 C THR A 96 -13.812 5.658 5.820 1.00 0.00 C ATOM 1559 O THR A 96 -13.793 6.537 6.690 1.00 0.00 O ATOM 1560 CB THR A 96 -16.093 5.425 4.511 1.00 0.00 C ATOM 1561 OG1 THR A 96 -16.511 5.872 3.242 1.00 0.00 O ATOM 1562 CG2 THR A 96 -16.755 5.998 5.732 1.00 0.00 C ATOM 0 H THR A 96 -14.252 4.560 2.861 1.00 0.00 H new ATOM 0 HA THR A 96 -14.711 6.935 4.344 1.00 0.00 H new ATOM 0 HB THR A 96 -16.334 4.367 4.614 1.00 0.00 H new ATOM 0 HG1 THR A 96 -16.406 5.148 2.589 1.00 0.00 H new ATOM 0 HG21 THR A 96 -17.803 5.699 5.752 1.00 0.00 H new ATOM 0 HG22 THR A 96 -16.255 5.626 6.626 1.00 0.00 H new ATOM 0 HG23 THR A 96 -16.688 7.086 5.705 1.00 0.00 H new ATOM 1570 N TYR A 97 -13.282 4.474 6.039 1.00 0.00 N ATOM 1571 CA TYR A 97 -12.484 4.020 7.161 1.00 0.00 C ATOM 1572 C TYR A 97 -11.117 4.715 7.161 1.00 0.00 C ATOM 1573 O TYR A 97 -10.717 5.332 8.204 1.00 0.00 O ATOM 1574 CB TYR A 97 -12.199 2.467 7.067 1.00 0.00 C ATOM 1575 CG TYR A 97 -11.256 2.083 8.163 1.00 0.00 C ATOM 1576 CD1 TYR A 97 -11.594 2.138 9.518 1.00 0.00 C ATOM 1577 CD2 TYR A 97 -9.922 1.834 7.829 1.00 0.00 C ATOM 1578 CE1 TYR A 97 -10.656 1.800 10.495 1.00 0.00 C ATOM 1579 CE2 TYR A 97 -8.970 1.584 8.765 1.00 0.00 C ATOM 1580 CZ TYR A 97 -9.317 1.557 10.119 1.00 0.00 C ATOM 1581 OH TYR A 97 -8.325 1.284 11.014 1.00 0.00 O ATOM 0 H TYR A 97 -13.414 3.723 5.361 1.00 0.00 H new ATOM 0 HA TYR A 97 -13.049 4.253 8.064 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -13.130 1.906 7.156 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -11.770 2.220 6.096 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -12.587 2.444 9.811 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -9.637 1.841 6.787 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -10.952 1.725 11.531 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -7.948 1.407 8.464 1.00 0.00 H new ATOM 0 HH TYR A 97 -7.549 0.918 10.541 1.00 0.00 H new ATOM 1591 N LEU A 98 -10.547 4.813 5.967 1.00 0.00 N ATOM 1592 CA LEU A 98 -9.249 5.570 5.954 1.00 0.00 C ATOM 1593 C LEU A 98 -9.419 7.050 6.283 1.00 0.00 C ATOM 1594 O LEU A 98 -8.569 7.544 7.104 1.00 0.00 O ATOM 1595 CB LEU A 98 -8.475 5.333 4.682 1.00 0.00 C ATOM 1596 CG LEU A 98 -7.927 3.935 4.375 1.00 0.00 C ATOM 1597 CD1 LEU A 98 -7.385 3.927 2.957 1.00 0.00 C ATOM 1598 CD2 LEU A 98 -6.836 3.499 5.304 1.00 0.00 C ATOM 0 H LEU A 98 -10.888 4.439 5.082 1.00 0.00 H new ATOM 0 HA LEU A 98 -8.644 5.165 6.765 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -9.119 5.620 3.851 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -7.630 6.021 4.682 1.00 0.00 H new ATOM 0 HG LEU A 98 -8.753 3.236 4.504 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -6.991 2.938 2.724 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -8.186 4.172 2.260 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -6.588 4.665 2.868 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -6.498 2.501 5.025 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -6.001 4.196 5.237 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -7.214 3.482 6.326 1.00 0.00 H new ATOM 1610 N LYS A 99 -10.402 7.695 5.677 1.00 0.00 N ATOM 1611 CA LYS A 99 -10.711 9.113 5.964 1.00 0.00 C ATOM 1612 C LYS A 99 -10.723 9.393 7.448 1.00 0.00 C ATOM 1613 O LYS A 99 -10.270 10.393 8.002 1.00 0.00 O ATOM 1614 CB LYS A 99 -12.137 9.478 5.448 1.00 0.00 C ATOM 1615 CG LYS A 99 -12.772 10.767 6.011 1.00 0.00 C ATOM 1616 CD LYS A 99 -14.235 11.126 5.800 1.00 0.00 C ATOM 1617 CE LYS A 99 -15.162 9.945 5.595 1.00 0.00 C ATOM 1618 NZ LYS A 99 -15.454 9.314 6.919 1.00 0.00 N ATOM 0 H LYS A 99 -11.010 7.269 4.978 1.00 0.00 H new ATOM 0 HA LYS A 99 -9.937 9.698 5.467 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -12.093 9.567 4.363 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -12.803 8.645 5.673 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -12.610 10.748 7.089 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -12.188 11.598 5.616 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -14.582 11.695 6.663 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -14.311 11.783 4.933 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -16.088 10.272 5.122 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -14.702 9.218 4.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -15.261 8.293 6.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -14.851 9.744 7.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -16.454 9.465 7.163 1.00 0.00 H new ATOM 1632 N LYS A 100 -11.373 8.490 8.160 1.00 0.00 N ATOM 1633 CA LYS A 100 -11.487 8.549 9.611 1.00 0.00 C ATOM 1634 C LYS A 100 -10.280 8.176 10.442 1.00 0.00 C ATOM 1635 O LYS A 100 -10.077 8.912 11.427 1.00 0.00 O ATOM 1636 CB LYS A 100 -12.670 7.668 10.075 1.00 0.00 C ATOM 1637 CG LYS A 100 -13.898 8.125 9.272 1.00 0.00 C ATOM 1638 CD LYS A 100 -14.329 9.483 9.922 1.00 0.00 C ATOM 1639 CE LYS A 100 -15.302 9.196 11.068 1.00 0.00 C ATOM 1640 NZ LYS A 100 -15.669 10.439 11.790 1.00 0.00 N ATOM 0 H LYS A 100 -11.843 7.685 7.745 1.00 0.00 H new ATOM 0 HA LYS A 100 -11.626 9.615 9.793 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -12.461 6.613 9.897 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -12.842 7.782 11.145 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -13.654 8.253 8.217 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -14.701 7.390 9.327 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -13.455 10.017 10.294 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -14.801 10.124 9.178 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -16.202 8.723 10.674 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -14.849 8.489 11.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -16.329 10.211 12.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -14.812 10.876 12.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -16.123 11.103 11.130 1.00 0.00 H new ATOM 1654 N ALA A 101 -9.634 7.077 10.091 1.00 0.00 N ATOM 1655 CA ALA A 101 -8.534 6.577 10.939 1.00 0.00 C ATOM 1656 C ALA A 101 -7.217 7.243 10.695 1.00 0.00 C ATOM 1657 O ALA A 101 -6.385 7.262 11.626 1.00 0.00 O ATOM 1658 CB ALA A 101 -8.264 5.082 10.766 1.00 0.00 C ATOM 0 H ALA A 101 -9.832 6.522 9.258 1.00 0.00 H new ATOM 0 HA ALA A 101 -8.901 6.805 11.940 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -7.444 4.782 11.419 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -9.160 4.518 11.027 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -7.996 4.878 9.729 1.00 0.00 H new ATOM 1664 N THR A 102 -7.119 7.804 9.557 1.00 0.00 N ATOM 1665 CA THR A 102 -5.842 8.562 9.223 1.00 0.00 C ATOM 1666 C THR A 102 -5.799 10.021 9.602 1.00 0.00 C ATOM 1667 O THR A 102 -4.851 10.759 9.385 1.00 0.00 O ATOM 1668 CB THR A 102 -5.594 8.524 7.720 1.00 0.00 C ATOM 1669 OG1 THR A 102 -4.382 9.219 7.418 1.00 0.00 O ATOM 1670 CG2 THR A 102 -6.757 9.196 6.996 1.00 0.00 C ATOM 0 H THR A 102 -7.833 7.794 8.829 1.00 0.00 H new ATOM 0 HA THR A 102 -5.091 8.046 9.821 1.00 0.00 H new ATOM 0 HB THR A 102 -5.510 7.488 7.393 1.00 0.00 H new ATOM 0 HG1 THR A 102 -3.686 8.573 7.176 1.00 0.00 H new ATOM 0 HG21 THR A 102 -6.580 9.169 5.921 1.00 0.00 H new ATOM 0 HG22 THR A 102 -7.682 8.667 7.225 1.00 0.00 H new ATOM 0 HG23 THR A 102 -6.840 10.232 7.324 1.00 0.00 H new ATOM 1678 N GLU A 103 -6.799 10.533 10.267 1.00 0.00 N ATOM 1679 CA GLU A 103 -6.771 11.961 10.639 1.00 0.00 C ATOM 1680 C GLU A 103 -6.096 12.119 12.002 1.00 0.00 C ATOM 1681 O GLU A 103 -5.570 13.250 12.188 1.00 0.00 O ATOM 1682 CB GLU A 103 -8.206 12.405 10.815 1.00 0.00 C ATOM 1683 CG GLU A 103 -8.561 13.892 10.867 1.00 0.00 C ATOM 1684 CD GLU A 103 -7.969 14.563 9.662 1.00 0.00 C ATOM 1685 OE1 GLU A 103 -8.095 13.799 8.597 1.00 0.00 O ATOM 1686 OE2 GLU A 103 -7.332 15.589 9.637 1.00 0.00 O ATOM 1687 OXT GLU A 103 -6.542 11.288 12.828 1.00 0.00 O ATOM 0 H GLU A 103 -7.629 10.019 10.565 1.00 0.00 H new ATOM 0 HA GLU A 103 -6.241 12.535 9.879 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -8.780 11.966 9.999 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -8.570 11.955 11.739 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -9.643 14.023 10.881 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -8.173 14.343 11.781 1.00 0.00 H new TER 1694 GLU A 103 ATOM 1695 N LYS B 6 16.339 -36.568 -0.801 1.00 0.00 N ATOM 1696 CA LYS B 6 15.893 -35.530 0.143 1.00 0.00 C ATOM 1697 C LYS B 6 17.082 -34.941 0.887 1.00 0.00 C ATOM 1698 O LYS B 6 18.142 -35.580 0.987 1.00 0.00 O ATOM 1699 CB LYS B 6 14.864 -36.105 1.110 1.00 0.00 C ATOM 1700 CG LYS B 6 14.972 -37.612 1.312 1.00 0.00 C ATOM 1701 CD LYS B 6 14.152 -38.090 2.502 1.00 0.00 C ATOM 1702 CE LYS B 6 14.414 -39.550 2.812 1.00 0.00 C ATOM 1703 NZ LYS B 6 14.420 -39.822 4.284 1.00 0.00 N ATOM 0 HA LYS B 6 15.418 -34.724 -0.416 1.00 0.00 H new ATOM 0 HB2 LYS B 6 14.973 -35.611 2.076 1.00 0.00 H new ATOM 0 HB3 LYS B 6 13.865 -35.869 0.743 1.00 0.00 H new ATOM 0 HG2 LYS B 6 14.634 -38.123 0.411 1.00 0.00 H new ATOM 0 HG3 LYS B 6 16.017 -37.884 1.460 1.00 0.00 H new ATOM 0 HD2 LYS B 6 14.391 -37.484 3.376 1.00 0.00 H new ATOM 0 HD3 LYS B 6 13.092 -37.946 2.295 1.00 0.00 H new ATOM 0 HE2 LYS B 6 13.651 -40.164 2.334 1.00 0.00 H new ATOM 0 HE3 LYS B 6 15.373 -39.844 2.386 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 14.603 -40.832 4.450 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 15.165 -39.256 4.739 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 13.496 -39.567 4.688 1.00 0.00 H new ATOM 1717 N ILE B 7 16.978 -33.682 1.306 1.00 0.00 N ATOM 1718 CA ILE B 7 18.071 -33.019 2.005 1.00 0.00 C ATOM 1719 C ILE B 7 17.580 -32.354 3.298 1.00 0.00 C ATOM 1720 O ILE B 7 16.432 -31.936 3.403 1.00 0.00 O ATOM 1721 CB ILE B 7 18.768 -31.945 1.166 1.00 0.00 C ATOM 1722 CG1 ILE B 7 17.802 -30.798 0.852 1.00 0.00 C ATOM 1723 CG2 ILE B 7 19.428 -32.476 -0.080 1.00 0.00 C ATOM 1724 CD1 ILE B 7 18.503 -29.482 0.609 1.00 0.00 C ATOM 0 H ILE B 7 16.149 -33.103 1.173 1.00 0.00 H new ATOM 0 HA ILE B 7 18.788 -33.811 2.221 1.00 0.00 H new ATOM 0 HB ILE B 7 19.585 -31.560 1.776 1.00 0.00 H new ATOM 0 HG12 ILE B 7 17.214 -31.057 -0.028 1.00 0.00 H new ATOM 0 HG13 ILE B 7 17.103 -30.683 1.680 1.00 0.00 H new ATOM 0 HG21 ILE B 7 19.900 -31.655 -0.620 1.00 0.00 H new ATOM 0 HG22 ILE B 7 20.184 -33.212 0.194 1.00 0.00 H new ATOM 0 HG23 ILE B 7 18.678 -32.946 -0.717 1.00 0.00 H new ATOM 0 HD11 ILE B 7 17.764 -28.711 0.392 1.00 0.00 H new ATOM 0 HD12 ILE B 7 19.070 -29.202 1.497 1.00 0.00 H new ATOM 0 HD13 ILE B 7 19.182 -29.582 -0.238 1.00 0.00 H new ATOM 1736 N THR B 8 18.506 -32.200 4.241 1.00 0.00 N ATOM 1737 CA THR B 8 18.215 -31.568 5.513 1.00 0.00 C ATOM 1738 C THR B 8 18.402 -30.049 5.425 1.00 0.00 C ATOM 1739 O THR B 8 19.359 -29.562 4.822 1.00 0.00 O ATOM 1740 CB THR B 8 19.100 -32.096 6.653 1.00 0.00 C ATOM 1741 OG1 THR B 8 19.076 -33.531 6.681 1.00 0.00 O ATOM 1742 CG2 THR B 8 18.599 -31.585 8.002 1.00 0.00 C ATOM 0 H THR B 8 19.473 -32.510 4.140 1.00 0.00 H new ATOM 0 HA THR B 8 17.176 -31.812 5.736 1.00 0.00 H new ATOM 0 HB THR B 8 20.115 -31.742 6.475 1.00 0.00 H new ATOM 0 HG1 THR B 8 19.645 -33.854 7.411 1.00 0.00 H new ATOM 0 HG21 THR B 8 19.238 -31.969 8.797 1.00 0.00 H new ATOM 0 HG22 THR B 8 18.625 -30.495 8.011 1.00 0.00 H new ATOM 0 HG23 THR B 8 17.576 -31.925 8.163 1.00 0.00 H new ATOM 1750 N VAL B 9 17.437 -29.321 5.978 1.00 0.00 N ATOM 1751 CA VAL B 9 17.547 -27.849 6.034 1.00 0.00 C ATOM 1752 C VAL B 9 17.268 -27.404 7.477 1.00 0.00 C ATOM 1753 O VAL B 9 16.296 -27.867 8.074 1.00 0.00 O ATOM 1754 CB VAL B 9 16.550 -27.158 5.104 1.00 0.00 C ATOM 1755 CG1 VAL B 9 16.634 -25.634 5.292 1.00 0.00 C ATOM 1756 CG2 VAL B 9 16.795 -27.491 3.643 1.00 0.00 C ATOM 0 H VAL B 9 16.585 -29.705 6.387 1.00 0.00 H new ATOM 0 HA VAL B 9 18.549 -27.568 5.710 1.00 0.00 H new ATOM 0 HB VAL B 9 15.558 -27.523 5.369 1.00 0.00 H new ATOM 0 HG11 VAL B 9 15.922 -25.146 4.627 1.00 0.00 H new ATOM 0 HG12 VAL B 9 16.398 -25.381 6.326 1.00 0.00 H new ATOM 0 HG13 VAL B 9 17.642 -25.293 5.057 1.00 0.00 H new ATOM 0 HG21 VAL B 9 16.060 -26.976 3.024 1.00 0.00 H new ATOM 0 HG22 VAL B 9 17.797 -27.170 3.360 1.00 0.00 H new ATOM 0 HG23 VAL B 9 16.703 -28.567 3.495 1.00 0.00 H new ATOM 1766 N HIS B 10 18.116 -26.532 8.004 1.00 0.00 N ATOM 1767 CA HIS B 10 17.905 -26.010 9.365 1.00 0.00 C ATOM 1768 C HIS B 10 17.431 -24.548 9.278 1.00 0.00 C ATOM 1769 O HIS B 10 18.017 -23.780 8.526 1.00 0.00 O ATOM 1770 CB HIS B 10 19.239 -26.020 10.119 1.00 0.00 C ATOM 1771 CG HIS B 10 19.933 -27.342 10.138 1.00 0.00 C ATOM 1772 ND1 HIS B 10 19.515 -28.398 10.921 1.00 0.00 N ATOM 1773 CD2 HIS B 10 21.058 -27.761 9.500 1.00 0.00 C ATOM 1774 CE1 HIS B 10 20.339 -29.424 10.737 1.00 0.00 C ATOM 1775 NE2 HIS B 10 21.277 -29.063 9.895 1.00 0.00 N ATOM 0 H HIS B 10 18.943 -26.171 7.529 1.00 0.00 H new ATOM 0 HA HIS B 10 17.166 -26.627 9.877 1.00 0.00 H new ATOM 0 HB2 HIS B 10 19.902 -25.283 9.667 1.00 0.00 H new ATOM 0 HB3 HIS B 10 19.063 -25.702 11.147 1.00 0.00 H new ATOM 0 HD2 HIS B 10 21.663 -27.185 8.816 1.00 0.00 H new ATOM 0 HE1 HIS B 10 20.251 -30.394 11.203 1.00 0.00 H new ATOM 0 HE2 HIS B 10 22.048 -29.653 9.582 1.00 0.00 H new ATOM 1783 N PHE B 11 16.416 -24.203 10.041 1.00 0.00 N ATOM 1784 CA PHE B 11 15.898 -22.845 10.073 1.00 0.00 C ATOM 1785 C PHE B 11 16.097 -22.277 11.491 1.00 0.00 C ATOM 1786 O PHE B 11 15.635 -22.898 12.451 1.00 0.00 O ATOM 1787 CB PHE B 11 14.398 -22.800 9.777 1.00 0.00 C ATOM 1788 CG PHE B 11 13.954 -23.191 8.418 1.00 0.00 C ATOM 1789 CD1 PHE B 11 13.977 -24.519 8.004 1.00 0.00 C ATOM 1790 CD2 PHE B 11 13.448 -22.246 7.531 1.00 0.00 C ATOM 1791 CE1 PHE B 11 13.542 -24.881 6.758 1.00 0.00 C ATOM 1792 CE2 PHE B 11 13.006 -22.607 6.278 1.00 0.00 C ATOM 1793 CZ PHE B 11 13.035 -23.931 5.888 1.00 0.00 C ATOM 0 H PHE B 11 15.925 -24.852 10.657 1.00 0.00 H new ATOM 0 HA PHE B 11 16.430 -22.269 9.316 1.00 0.00 H new ATOM 0 HB2 PHE B 11 13.895 -23.448 10.494 1.00 0.00 H new ATOM 0 HB3 PHE B 11 14.049 -21.785 9.965 1.00 0.00 H new ATOM 0 HD1 PHE B 11 14.345 -25.278 8.678 1.00 0.00 H new ATOM 0 HD2 PHE B 11 13.401 -21.210 7.831 1.00 0.00 H new ATOM 0 HE1 PHE B 11 13.595 -25.915 6.451 1.00 0.00 H new ATOM 0 HE2 PHE B 11 12.636 -21.853 5.599 1.00 0.00 H new ATOM 0 HZ PHE B 11 12.666 -24.222 4.916 1.00 0.00 H new ATOM 1803 N ILE B 12 16.821 -21.175 11.592 1.00 0.00 N ATOM 1804 CA ILE B 12 16.900 -20.463 12.863 1.00 0.00 C ATOM 1805 C ILE B 12 15.728 -19.463 12.908 1.00 0.00 C ATOM 1806 O ILE B 12 15.710 -18.492 12.170 1.00 0.00 O ATOM 1807 CB ILE B 12 18.208 -19.727 13.100 1.00 0.00 C ATOM 1808 CG1 ILE B 12 19.406 -20.673 12.986 1.00 0.00 C ATOM 1809 CG2 ILE B 12 18.210 -19.088 14.509 1.00 0.00 C ATOM 1810 CD1 ILE B 12 20.742 -19.971 13.009 1.00 0.00 C ATOM 0 H ILE B 12 17.353 -20.758 10.828 1.00 0.00 H new ATOM 0 HA ILE B 12 16.846 -21.209 13.656 1.00 0.00 H new ATOM 0 HB ILE B 12 18.294 -18.954 12.337 1.00 0.00 H new ATOM 0 HG12 ILE B 12 19.369 -21.391 13.805 1.00 0.00 H new ATOM 0 HG13 ILE B 12 19.321 -21.242 12.060 1.00 0.00 H new ATOM 0 HG21 ILE B 12 19.152 -18.563 14.669 1.00 0.00 H new ATOM 0 HG22 ILE B 12 17.383 -18.383 14.590 1.00 0.00 H new ATOM 0 HG23 ILE B 12 18.097 -19.868 15.262 1.00 0.00 H new ATOM 0 HD11 ILE B 12 21.541 -20.707 12.924 1.00 0.00 H new ATOM 0 HD12 ILE B 12 20.801 -19.273 12.174 1.00 0.00 H new ATOM 0 HD13 ILE B 12 20.850 -19.425 13.946 1.00 0.00 H new ATOM 1822 N ASN B 13 14.722 -19.819 13.699 1.00 0.00 N ATOM 1823 CA ASN B 13 13.499 -18.981 13.744 1.00 0.00 C ATOM 1824 C ASN B 13 13.787 -17.701 14.481 1.00 0.00 C ATOM 1825 O ASN B 13 14.854 -17.587 15.114 1.00 0.00 O ATOM 1826 CB ASN B 13 12.384 -19.796 14.386 1.00 0.00 C ATOM 1827 CG ASN B 13 11.006 -19.250 14.116 1.00 0.00 C ATOM 1828 OD1 ASN B 13 10.858 -18.213 13.456 1.00 0.00 O ATOM 1829 ND2 ASN B 13 9.989 -19.927 14.642 1.00 0.00 N ATOM 0 H ASN B 13 14.711 -20.644 14.299 1.00 0.00 H new ATOM 0 HA ASN B 13 13.176 -18.697 12.742 1.00 0.00 H new ATOM 0 HB2 ASN B 13 12.438 -20.821 14.020 1.00 0.00 H new ATOM 0 HB3 ASN B 13 12.546 -19.833 15.463 1.00 0.00 H new ATOM 0 HD21 ASN B 13 9.033 -19.596 14.509 1.00 0.00 H new ATOM 0 HD22 ASN B 13 10.165 -20.777 15.178 1.00 0.00 H new ATOM 1836 N ARG B 14 12.897 -16.719 14.452 1.00 0.00 N ATOM 1837 CA ARG B 14 13.158 -15.440 15.111 1.00 0.00 C ATOM 1838 C ARG B 14 13.245 -15.567 16.624 1.00 0.00 C ATOM 1839 O ARG B 14 13.923 -14.753 17.278 1.00 0.00 O ATOM 1840 CB ARG B 14 12.201 -14.352 14.715 1.00 0.00 C ATOM 1841 CG ARG B 14 11.089 -14.684 13.765 1.00 0.00 C ATOM 1842 CD ARG B 14 10.132 -13.492 13.594 1.00 0.00 C ATOM 1843 NE ARG B 14 9.929 -13.189 12.188 1.00 0.00 N ATOM 1844 CZ ARG B 14 9.101 -13.822 11.364 1.00 0.00 C ATOM 1845 NH1 ARG B 14 8.340 -14.818 11.784 1.00 0.00 N ATOM 1846 NH2 ARG B 14 9.010 -13.425 10.099 1.00 0.00 N ATOM 0 H ARG B 14 11.993 -16.779 13.984 1.00 0.00 H new ATOM 0 HA ARG B 14 14.140 -15.137 14.748 1.00 0.00 H new ATOM 0 HB2 ARG B 14 11.751 -13.959 15.627 1.00 0.00 H new ATOM 0 HB3 ARG B 14 12.784 -13.544 14.273 1.00 0.00 H new ATOM 0 HG2 ARG B 14 11.505 -14.962 12.797 1.00 0.00 H new ATOM 0 HG3 ARG B 14 10.536 -15.548 14.135 1.00 0.00 H new ATOM 0 HD2 ARG B 14 9.175 -13.719 14.063 1.00 0.00 H new ATOM 0 HD3 ARG B 14 10.538 -12.618 14.104 1.00 0.00 H new ATOM 0 HE ARG B 14 10.472 -12.419 11.797 1.00 0.00 H new ATOM 0 HH11 ARG B 14 8.381 -15.115 12.759 1.00 0.00 H new ATOM 0 HH12 ARG B 14 7.712 -15.289 11.133 1.00 0.00 H new ATOM 0 HH21 ARG B 14 9.573 -12.641 9.769 1.00 0.00 H new ATOM 0 HH22 ARG B 14 8.377 -13.904 9.458 1.00 0.00 H new ATOM 1860 N ASP B 15 12.606 -16.581 17.193 1.00 0.00 N ATOM 1861 CA ASP B 15 12.669 -16.853 18.619 1.00 0.00 C ATOM 1862 C ASP B 15 14.005 -17.450 19.031 1.00 0.00 C ATOM 1863 O ASP B 15 14.342 -17.473 20.220 1.00 0.00 O ATOM 1864 CB ASP B 15 11.515 -17.738 19.072 1.00 0.00 C ATOM 1865 CG ASP B 15 11.307 -18.983 18.251 1.00 0.00 C ATOM 1866 OD1 ASP B 15 12.159 -19.310 17.394 1.00 0.00 O ATOM 1867 OD2 ASP B 15 10.261 -19.668 18.440 1.00 0.00 O ATOM 0 H ASP B 15 12.027 -17.240 16.673 1.00 0.00 H new ATOM 0 HA ASP B 15 12.574 -15.892 19.124 1.00 0.00 H new ATOM 0 HB2 ASP B 15 11.685 -18.029 20.109 1.00 0.00 H new ATOM 0 HB3 ASP B 15 10.597 -17.151 19.052 1.00 0.00 H new ATOM 1872 N GLY B 16 14.795 -17.920 18.068 1.00 0.00 N ATOM 1873 CA GLY B 16 16.111 -18.466 18.363 1.00 0.00 C ATOM 1874 C GLY B 16 16.118 -19.986 18.288 1.00 0.00 C ATOM 1875 O GLY B 16 17.182 -20.600 18.331 1.00 0.00 O ATOM 0 H GLY B 16 14.544 -17.932 17.079 1.00 0.00 H new ATOM 0 HA2 GLY B 16 16.839 -18.063 17.658 1.00 0.00 H new ATOM 0 HA3 GLY B 16 16.422 -18.149 19.358 1.00 0.00 H new ATOM 1879 N GLU B 17 14.933 -20.585 18.169 1.00 0.00 N ATOM 1880 CA GLU B 17 14.849 -22.046 18.082 1.00 0.00 C ATOM 1881 C GLU B 17 15.256 -22.519 16.685 1.00 0.00 C ATOM 1882 O GLU B 17 14.905 -21.888 15.684 1.00 0.00 O ATOM 1883 CB GLU B 17 13.453 -22.548 18.410 1.00 0.00 C ATOM 1884 CG GLU B 17 12.769 -21.882 19.582 1.00 0.00 C ATOM 1885 CD GLU B 17 13.375 -22.267 20.915 1.00 0.00 C ATOM 1886 OE1 GLU B 17 14.493 -21.789 21.221 1.00 0.00 O ATOM 1887 OE2 GLU B 17 12.744 -23.046 21.658 1.00 0.00 O ATOM 0 H GLU B 17 14.038 -20.098 18.131 1.00 0.00 H new ATOM 0 HA GLU B 17 15.537 -22.459 18.819 1.00 0.00 H new ATOM 0 HB2 GLU B 17 12.826 -22.420 17.528 1.00 0.00 H new ATOM 0 HB3 GLU B 17 13.510 -23.618 18.608 1.00 0.00 H new ATOM 0 HG2 GLU B 17 12.825 -20.800 19.462 1.00 0.00 H new ATOM 0 HG3 GLU B 17 11.712 -22.149 19.579 1.00 0.00 H new ATOM 1894 N THR B 18 15.992 -23.628 16.629 1.00 0.00 N ATOM 1895 CA THR B 18 16.389 -24.199 15.364 1.00 0.00 C ATOM 1896 C THR B 18 15.407 -25.276 14.921 1.00 0.00 C ATOM 1897 O THR B 18 15.097 -26.208 15.664 1.00 0.00 O ATOM 1898 CB THR B 18 17.815 -24.754 15.366 1.00 0.00 C ATOM 1899 OG1 THR B 18 18.743 -23.655 15.462 1.00 0.00 O ATOM 1900 CG2 THR B 18 18.102 -25.506 14.069 1.00 0.00 C ATOM 0 H THR B 18 16.320 -24.140 17.448 1.00 0.00 H new ATOM 0 HA THR B 18 16.374 -23.377 14.648 1.00 0.00 H new ATOM 0 HB THR B 18 17.923 -25.435 16.210 1.00 0.00 H new ATOM 0 HG1 THR B 18 19.660 -24.001 15.466 1.00 0.00 H new ATOM 0 HG21 THR B 18 19.121 -25.893 14.090 1.00 0.00 H new ATOM 0 HG22 THR B 18 17.401 -26.335 13.966 1.00 0.00 H new ATOM 0 HG23 THR B 18 17.989 -24.828 13.223 1.00 0.00 H new ATOM 1908 N LEU B 19 14.822 -25.061 13.753 1.00 0.00 N ATOM 1909 CA LEU B 19 13.868 -26.006 13.180 1.00 0.00 C ATOM 1910 C LEU B 19 14.614 -26.858 12.148 1.00 0.00 C ATOM 1911 O LEU B 19 15.121 -26.303 11.179 1.00 0.00 O ATOM 1912 CB LEU B 19 12.740 -25.252 12.489 1.00 0.00 C ATOM 1913 CG LEU B 19 11.608 -24.657 13.255 1.00 0.00 C ATOM 1914 CD1 LEU B 19 11.805 -24.612 14.758 1.00 0.00 C ATOM 1915 CD2 LEU B 19 11.220 -23.270 12.729 1.00 0.00 C ATOM 0 H LEU B 19 14.991 -24.236 13.178 1.00 0.00 H new ATOM 0 HA LEU B 19 13.442 -26.632 13.964 1.00 0.00 H new ATOM 0 HB2 LEU B 19 13.201 -24.440 11.927 1.00 0.00 H new ATOM 0 HB3 LEU B 19 12.303 -25.936 11.761 1.00 0.00 H new ATOM 0 HG LEU B 19 10.784 -25.350 13.081 1.00 0.00 H new ATOM 0 HD11 LEU B 19 10.929 -24.163 15.226 1.00 0.00 H new ATOM 0 HD12 LEU B 19 11.940 -25.625 15.138 1.00 0.00 H new ATOM 0 HD13 LEU B 19 12.687 -24.016 14.992 1.00 0.00 H new ATOM 0 HD21 LEU B 19 10.391 -22.876 13.318 1.00 0.00 H new ATOM 0 HD22 LEU B 19 12.074 -22.598 12.810 1.00 0.00 H new ATOM 0 HD23 LEU B 19 10.918 -23.348 11.685 1.00 0.00 H new ATOM 1927 N THR B 20 14.733 -28.148 12.427 1.00 0.00 N ATOM 1928 CA THR B 20 15.440 -29.026 11.475 1.00 0.00 C ATOM 1929 C THR B 20 14.408 -29.848 10.717 1.00 0.00 C ATOM 1930 O THR B 20 13.494 -30.402 11.339 1.00 0.00 O ATOM 1931 CB THR B 20 16.451 -29.920 12.186 1.00 0.00 C ATOM 1932 OG1 THR B 20 17.405 -29.090 12.885 1.00 0.00 O ATOM 1933 CG2 THR B 20 17.202 -30.801 11.196 1.00 0.00 C ATOM 0 H THR B 20 14.371 -28.605 13.264 1.00 0.00 H new ATOM 0 HA THR B 20 16.007 -28.417 10.772 1.00 0.00 H new ATOM 0 HB THR B 20 15.911 -30.561 12.882 1.00 0.00 H new ATOM 0 HG1 THR B 20 18.127 -28.835 12.273 1.00 0.00 H new ATOM 0 HG21 THR B 20 17.915 -31.426 11.733 1.00 0.00 H new ATOM 0 HG22 THR B 20 16.493 -31.435 10.663 1.00 0.00 H new ATOM 0 HG23 THR B 20 17.736 -30.173 10.482 1.00 0.00 H new ATOM 1941 N THR B 21 14.452 -29.794 9.390 1.00 0.00 N ATOM 1942 CA THR B 21 13.470 -30.519 8.588 1.00 0.00 C ATOM 1943 C THR B 21 14.062 -30.966 7.265 1.00 0.00 C ATOM 1944 O THR B 21 15.206 -30.649 6.924 1.00 0.00 O ATOM 1945 CB THR B 21 12.195 -29.693 8.345 1.00 0.00 C ATOM 1946 OG1 THR B 21 11.152 -30.539 7.851 1.00 0.00 O ATOM 1947 CG2 THR B 21 12.444 -28.586 7.333 1.00 0.00 C ATOM 0 H THR B 21 15.142 -29.267 8.854 1.00 0.00 H new ATOM 0 HA THR B 21 13.190 -31.402 9.163 1.00 0.00 H new ATOM 0 HB THR B 21 11.901 -29.247 9.295 1.00 0.00 H new ATOM 0 HG1 THR B 21 10.392 -30.516 8.469 1.00 0.00 H new ATOM 0 HG21 THR B 21 11.526 -28.019 7.181 1.00 0.00 H new ATOM 0 HG22 THR B 21 13.224 -27.921 7.705 1.00 0.00 H new ATOM 0 HG23 THR B 21 12.761 -29.023 6.386 1.00 0.00 H new ATOM 1955 N LYS B 22 13.294 -31.751 6.526 1.00 0.00 N ATOM 1956 CA LYS B 22 13.750 -32.279 5.246 1.00 0.00 C ATOM 1957 C LYS B 22 12.835 -31.838 4.118 1.00 0.00 C ATOM 1958 O LYS B 22 11.626 -31.682 4.318 1.00 0.00 O ATOM 1959 CB LYS B 22 13.823 -33.815 5.324 1.00 0.00 C ATOM 1960 CG LYS B 22 14.936 -34.309 6.253 1.00 0.00 C ATOM 1961 CD LYS B 22 15.410 -35.691 5.849 1.00 0.00 C ATOM 1962 CE LYS B 22 15.705 -36.554 7.070 1.00 0.00 C ATOM 1963 NZ LYS B 22 16.728 -37.600 6.738 1.00 0.00 N ATOM 0 H LYS B 22 12.351 -32.038 6.789 1.00 0.00 H new ATOM 0 HA LYS B 22 14.744 -31.884 5.034 1.00 0.00 H new ATOM 0 HB2 LYS B 22 12.866 -34.203 5.673 1.00 0.00 H new ATOM 0 HB3 LYS B 22 13.985 -34.218 4.324 1.00 0.00 H new ATOM 0 HG2 LYS B 22 15.773 -33.612 6.226 1.00 0.00 H new ATOM 0 HG3 LYS B 22 14.573 -34.331 7.281 1.00 0.00 H new ATOM 0 HD2 LYS B 22 14.650 -36.174 5.235 1.00 0.00 H new ATOM 0 HD3 LYS B 22 16.307 -35.605 5.236 1.00 0.00 H new ATOM 0 HE2 LYS B 22 16.067 -35.929 7.886 1.00 0.00 H new ATOM 0 HE3 LYS B 22 14.788 -37.031 7.416 1.00 0.00 H new ATOM 0 HZ1 LYS B 22 16.918 -38.180 7.580 1.00 0.00 H new ATOM 0 HZ2 LYS B 22 16.368 -38.207 5.974 1.00 0.00 H new ATOM 0 HZ3 LYS B 22 17.608 -37.139 6.429 1.00 0.00 H new ATOM 1977 N GLY B 23 13.401 -31.594 2.954 1.00 0.00 N ATOM 1978 CA GLY B 23 12.666 -31.274 1.752 1.00 0.00 C ATOM 1979 C GLY B 23 13.284 -32.041 0.571 1.00 0.00 C ATOM 1980 O GLY B 23 14.404 -32.531 0.693 1.00 0.00 O ATOM 0 H GLY B 23 14.411 -31.614 2.816 1.00 0.00 H new ATOM 0 HA2 GLY B 23 11.616 -31.544 1.869 1.00 0.00 H new ATOM 0 HA3 GLY B 23 12.700 -30.201 1.564 1.00 0.00 H new ATOM 1984 N LYS B 24 12.574 -32.108 -0.545 1.00 0.00 N ATOM 1985 CA LYS B 24 13.098 -32.801 -1.719 1.00 0.00 C ATOM 1986 C LYS B 24 13.712 -31.815 -2.700 1.00 0.00 C ATOM 1987 O LYS B 24 13.194 -30.710 -2.875 1.00 0.00 O ATOM 1988 CB LYS B 24 12.015 -33.621 -2.413 1.00 0.00 C ATOM 1989 CG LYS B 24 10.597 -33.374 -1.942 1.00 0.00 C ATOM 1990 CD LYS B 24 9.624 -33.307 -3.113 1.00 0.00 C ATOM 1991 CE LYS B 24 9.467 -34.654 -3.794 1.00 0.00 C ATOM 1992 NZ LYS B 24 8.474 -34.592 -4.911 1.00 0.00 N ATOM 0 H LYS B 24 11.647 -31.699 -0.666 1.00 0.00 H new ATOM 0 HA LYS B 24 13.874 -33.484 -1.373 1.00 0.00 H new ATOM 0 HB2 LYS B 24 12.063 -33.419 -3.483 1.00 0.00 H new ATOM 0 HB3 LYS B 24 12.244 -34.678 -2.278 1.00 0.00 H new ATOM 0 HG2 LYS B 24 10.295 -34.170 -1.261 1.00 0.00 H new ATOM 0 HG3 LYS B 24 10.556 -32.441 -1.380 1.00 0.00 H new ATOM 0 HD2 LYS B 24 8.652 -32.964 -2.759 1.00 0.00 H new ATOM 0 HD3 LYS B 24 9.977 -32.573 -3.837 1.00 0.00 H new ATOM 0 HE2 LYS B 24 10.432 -34.981 -4.181 1.00 0.00 H new ATOM 0 HE3 LYS B 24 9.148 -35.397 -3.063 1.00 0.00 H new ATOM 0 HZ1 LYS B 24 8.391 -35.529 -5.354 1.00 0.00 H new ATOM 0 HZ2 LYS B 24 7.548 -34.303 -4.536 1.00 0.00 H new ATOM 0 HZ3 LYS B 24 8.792 -33.901 -5.620 1.00 0.00 H new ATOM 2006 N ILE B 25 14.802 -32.222 -3.357 1.00 0.00 N ATOM 2007 CA ILE B 25 15.409 -31.302 -4.342 1.00 0.00 C ATOM 2008 C ILE B 25 14.328 -30.868 -5.321 1.00 0.00 C ATOM 2009 O ILE B 25 13.406 -31.633 -5.633 1.00 0.00 O ATOM 2010 CB ILE B 25 16.667 -31.817 -4.975 1.00 0.00 C ATOM 2011 CG1 ILE B 25 16.682 -31.804 -6.491 1.00 0.00 C ATOM 2012 CG2 ILE B 25 17.059 -33.192 -4.446 1.00 0.00 C ATOM 2013 CD1 ILE B 25 17.355 -30.604 -7.115 1.00 0.00 C ATOM 0 H ILE B 25 15.265 -33.124 -3.242 1.00 0.00 H new ATOM 0 HA ILE B 25 15.776 -30.417 -3.823 1.00 0.00 H new ATOM 0 HB ILE B 25 17.421 -31.092 -4.671 1.00 0.00 H new ATOM 0 HG12 ILE B 25 17.184 -32.706 -6.842 1.00 0.00 H new ATOM 0 HG13 ILE B 25 15.654 -31.852 -6.849 1.00 0.00 H new ATOM 0 HG21 ILE B 25 17.976 -33.522 -4.935 1.00 0.00 H new ATOM 0 HG22 ILE B 25 17.222 -33.135 -3.370 1.00 0.00 H new ATOM 0 HG23 ILE B 25 16.260 -33.904 -4.655 1.00 0.00 H new ATOM 0 HD11 ILE B 25 17.314 -30.688 -8.201 1.00 0.00 H new ATOM 0 HD12 ILE B 25 16.842 -29.695 -6.801 1.00 0.00 H new ATOM 0 HD13 ILE B 25 18.396 -30.562 -6.793 1.00 0.00 H new ATOM 2025 N GLY B 26 14.298 -29.572 -5.616 1.00 0.00 N ATOM 2026 CA GLY B 26 13.316 -28.990 -6.498 1.00 0.00 C ATOM 2027 C GLY B 26 12.211 -28.269 -5.729 1.00 0.00 C ATOM 2028 O GLY B 26 11.529 -27.427 -6.307 1.00 0.00 O ATOM 0 H GLY B 26 14.965 -28.897 -5.241 1.00 0.00 H new ATOM 0 HA2 GLY B 26 13.806 -28.288 -7.172 1.00 0.00 H new ATOM 0 HA3 GLY B 26 12.876 -29.772 -7.117 1.00 0.00 H new ATOM 2032 N ASP B 27 12.008 -28.626 -4.478 1.00 0.00 N ATOM 2033 CA ASP B 27 11.015 -27.989 -3.619 1.00 0.00 C ATOM 2034 C ASP B 27 11.455 -26.553 -3.289 1.00 0.00 C ATOM 2035 O ASP B 27 12.638 -26.307 -3.089 1.00 0.00 O ATOM 2036 CB ASP B 27 10.925 -28.763 -2.297 1.00 0.00 C ATOM 2037 CG ASP B 27 9.792 -29.737 -2.194 1.00 0.00 C ATOM 2038 OD1 ASP B 27 9.142 -30.072 -3.206 1.00 0.00 O ATOM 2039 OD2 ASP B 27 9.527 -30.204 -1.046 1.00 0.00 O ATOM 0 H ASP B 27 12.529 -29.373 -4.019 1.00 0.00 H new ATOM 0 HA ASP B 27 10.055 -27.982 -4.135 1.00 0.00 H new ATOM 0 HB2 ASP B 27 11.860 -29.303 -2.149 1.00 0.00 H new ATOM 0 HB3 ASP B 27 10.839 -28.045 -1.481 1.00 0.00 H new ATOM 2044 N SER B 28 10.499 -25.628 -3.224 1.00 0.00 N ATOM 2045 CA SER B 28 10.888 -24.258 -2.794 1.00 0.00 C ATOM 2046 C SER B 28 11.055 -24.264 -1.291 1.00 0.00 C ATOM 2047 O SER B 28 10.586 -25.197 -0.600 1.00 0.00 O ATOM 2048 CB SER B 28 9.855 -23.227 -3.253 1.00 0.00 C ATOM 2049 OG SER B 28 8.834 -23.078 -2.288 1.00 0.00 O ATOM 0 H SER B 28 9.513 -25.769 -3.443 1.00 0.00 H new ATOM 0 HA SER B 28 11.832 -23.971 -3.257 1.00 0.00 H new ATOM 0 HB2 SER B 28 10.343 -22.268 -3.424 1.00 0.00 H new ATOM 0 HB3 SER B 28 9.421 -23.538 -4.203 1.00 0.00 H new ATOM 0 HG SER B 28 8.184 -22.414 -2.599 1.00 0.00 H new ATOM 2055 N LEU B 29 11.675 -23.229 -0.735 1.00 0.00 N ATOM 2056 CA LEU B 29 11.804 -23.142 0.723 1.00 0.00 C ATOM 2057 C LEU B 29 10.469 -22.873 1.385 1.00 0.00 C ATOM 2058 O LEU B 29 10.232 -23.297 2.517 1.00 0.00 O ATOM 2059 CB LEU B 29 12.870 -22.102 1.077 1.00 0.00 C ATOM 2060 CG LEU B 29 14.307 -22.728 1.035 1.00 0.00 C ATOM 2061 CD1 LEU B 29 15.337 -21.637 0.966 1.00 0.00 C ATOM 2062 CD2 LEU B 29 14.476 -23.606 2.266 1.00 0.00 C ATOM 0 H LEU B 29 12.089 -22.454 -1.253 1.00 0.00 H new ATOM 0 HA LEU B 29 12.133 -24.104 1.116 1.00 0.00 H new ATOM 0 HB2 LEU B 29 12.813 -21.267 0.379 1.00 0.00 H new ATOM 0 HB3 LEU B 29 12.674 -21.700 2.071 1.00 0.00 H new ATOM 0 HG LEU B 29 14.442 -23.345 0.147 1.00 0.00 H new ATOM 0 HD11 LEU B 29 16.333 -22.078 0.937 1.00 0.00 H new ATOM 0 HD12 LEU B 29 15.177 -21.042 0.067 1.00 0.00 H new ATOM 0 HD13 LEU B 29 15.249 -20.997 1.844 1.00 0.00 H new ATOM 0 HD21 LEU B 29 15.470 -24.054 2.260 1.00 0.00 H new ATOM 0 HD22 LEU B 29 14.357 -23.000 3.164 1.00 0.00 H new ATOM 0 HD23 LEU B 29 13.723 -24.394 2.257 1.00 0.00 H new ATOM 2074 N LEU B 30 9.534 -22.282 0.650 1.00 0.00 N ATOM 2075 CA LEU B 30 8.169 -22.086 1.192 1.00 0.00 C ATOM 2076 C LEU B 30 7.462 -23.436 1.267 1.00 0.00 C ATOM 2077 O LEU B 30 6.838 -23.766 2.285 1.00 0.00 O ATOM 2078 CB LEU B 30 7.394 -21.106 0.323 1.00 0.00 C ATOM 2079 CG LEU B 30 5.881 -21.017 0.599 1.00 0.00 C ATOM 2080 CD1 LEU B 30 5.632 -20.576 2.045 1.00 0.00 C ATOM 2081 CD2 LEU B 30 5.203 -20.069 -0.367 1.00 0.00 C ATOM 0 H LEU B 30 9.676 -21.934 -0.298 1.00 0.00 H new ATOM 0 HA LEU B 30 8.227 -21.664 2.195 1.00 0.00 H new ATOM 0 HB2 LEU B 30 7.827 -20.114 0.452 1.00 0.00 H new ATOM 0 HB3 LEU B 30 7.538 -21.383 -0.721 1.00 0.00 H new ATOM 0 HG LEU B 30 5.451 -22.008 0.453 1.00 0.00 H new ATOM 0 HD11 LEU B 30 4.559 -20.517 2.228 1.00 0.00 H new ATOM 0 HD12 LEU B 30 6.077 -21.300 2.728 1.00 0.00 H new ATOM 0 HD13 LEU B 30 6.083 -19.597 2.210 1.00 0.00 H new ATOM 0 HD21 LEU B 30 4.136 -20.027 -0.147 1.00 0.00 H new ATOM 0 HD22 LEU B 30 5.634 -19.073 -0.263 1.00 0.00 H new ATOM 0 HD23 LEU B 30 5.350 -20.423 -1.387 1.00 0.00 H new ATOM 2093 N ASP B 31 7.630 -24.235 0.216 1.00 0.00 N ATOM 2094 CA ASP B 31 7.123 -25.607 0.208 1.00 0.00 C ATOM 2095 C ASP B 31 7.624 -26.362 1.439 1.00 0.00 C ATOM 2096 O ASP B 31 6.845 -26.974 2.171 1.00 0.00 O ATOM 2097 CB ASP B 31 7.546 -26.361 -1.040 1.00 0.00 C ATOM 2098 CG ASP B 31 7.010 -25.803 -2.337 1.00 0.00 C ATOM 2099 OD1 ASP B 31 5.937 -25.178 -2.334 1.00 0.00 O ATOM 2100 OD2 ASP B 31 7.678 -25.998 -3.388 1.00 0.00 O ATOM 0 H ASP B 31 8.112 -23.958 -0.639 1.00 0.00 H new ATOM 0 HA ASP B 31 6.035 -25.547 0.221 1.00 0.00 H new ATOM 0 HB2 ASP B 31 8.635 -26.370 -1.089 1.00 0.00 H new ATOM 0 HB3 ASP B 31 7.222 -27.398 -0.947 1.00 0.00 H new ATOM 2105 N VAL B 32 8.924 -26.232 1.719 1.00 0.00 N ATOM 2106 CA VAL B 32 9.511 -26.855 2.890 1.00 0.00 C ATOM 2107 C VAL B 32 8.815 -26.409 4.167 1.00 0.00 C ATOM 2108 O VAL B 32 8.564 -27.224 5.075 1.00 0.00 O ATOM 2109 CB VAL B 32 11.021 -26.573 3.007 1.00 0.00 C ATOM 2110 CG1 VAL B 32 11.598 -27.258 4.240 1.00 0.00 C ATOM 2111 CG2 VAL B 32 11.750 -27.043 1.754 1.00 0.00 C ATOM 0 H VAL B 32 9.581 -25.701 1.148 1.00 0.00 H new ATOM 0 HA VAL B 32 9.371 -27.928 2.762 1.00 0.00 H new ATOM 0 HB VAL B 32 11.162 -25.497 3.109 1.00 0.00 H new ATOM 0 HG11 VAL B 32 12.666 -27.048 4.307 1.00 0.00 H new ATOM 0 HG12 VAL B 32 11.098 -26.882 5.133 1.00 0.00 H new ATOM 0 HG13 VAL B 32 11.444 -28.334 4.164 1.00 0.00 H new ATOM 0 HG21 VAL B 32 12.816 -26.836 1.854 1.00 0.00 H new ATOM 0 HG22 VAL B 32 11.599 -28.115 1.626 1.00 0.00 H new ATOM 0 HG23 VAL B 32 11.358 -26.515 0.885 1.00 0.00 H new ATOM 2121 N VAL B 33 8.570 -25.103 4.292 1.00 0.00 N ATOM 2122 CA VAL B 33 7.936 -24.602 5.509 1.00 0.00 C ATOM 2123 C VAL B 33 6.489 -25.064 5.585 1.00 0.00 C ATOM 2124 O VAL B 33 6.032 -25.508 6.652 1.00 0.00 O ATOM 2125 CB VAL B 33 8.038 -23.073 5.621 1.00 0.00 C ATOM 2126 CG1 VAL B 33 7.153 -22.533 6.723 1.00 0.00 C ATOM 2127 CG2 VAL B 33 9.509 -22.692 5.913 1.00 0.00 C ATOM 0 H VAL B 33 8.792 -24.396 3.591 1.00 0.00 H new ATOM 0 HA VAL B 33 8.476 -25.019 6.359 1.00 0.00 H new ATOM 0 HB VAL B 33 7.704 -22.636 4.680 1.00 0.00 H new ATOM 0 HG11 VAL B 33 7.253 -21.449 6.771 1.00 0.00 H new ATOM 0 HG12 VAL B 33 6.115 -22.793 6.516 1.00 0.00 H new ATOM 0 HG13 VAL B 33 7.453 -22.968 7.677 1.00 0.00 H new ATOM 0 HG21 VAL B 33 9.595 -21.608 5.995 1.00 0.00 H new ATOM 0 HG22 VAL B 33 9.825 -23.153 6.849 1.00 0.00 H new ATOM 0 HG23 VAL B 33 10.145 -23.046 5.101 1.00 0.00 H new ATOM 2137 N VAL B 34 5.775 -24.981 4.476 1.00 0.00 N ATOM 2138 CA VAL B 34 4.334 -25.288 4.477 1.00 0.00 C ATOM 2139 C VAL B 34 4.051 -26.747 4.698 1.00 0.00 C ATOM 2140 O VAL B 34 3.300 -27.112 5.632 1.00 0.00 O ATOM 2141 CB VAL B 34 3.680 -24.728 3.211 1.00 0.00 C ATOM 2142 CG1 VAL B 34 2.341 -25.359 2.907 1.00 0.00 C ATOM 2143 CG2 VAL B 34 3.535 -23.202 3.344 1.00 0.00 C ATOM 0 H VAL B 34 6.153 -24.708 3.569 1.00 0.00 H new ATOM 0 HA VAL B 34 3.878 -24.789 5.332 1.00 0.00 H new ATOM 0 HB VAL B 34 4.331 -24.973 2.372 1.00 0.00 H new ATOM 0 HG11 VAL B 34 1.930 -24.919 1.998 1.00 0.00 H new ATOM 0 HG12 VAL B 34 2.468 -26.432 2.766 1.00 0.00 H new ATOM 0 HG13 VAL B 34 1.658 -25.181 3.738 1.00 0.00 H new ATOM 0 HG21 VAL B 34 3.070 -22.801 2.444 1.00 0.00 H new ATOM 0 HG22 VAL B 34 2.913 -22.970 4.208 1.00 0.00 H new ATOM 0 HG23 VAL B 34 4.520 -22.753 3.474 1.00 0.00 H new ATOM 2153 N GLN B 35 4.704 -27.648 3.965 1.00 0.00 N ATOM 2154 CA GLN B 35 4.458 -29.070 4.101 1.00 0.00 C ATOM 2155 C GLN B 35 4.783 -29.615 5.474 1.00 0.00 C ATOM 2156 O GLN B 35 4.043 -30.451 6.013 1.00 0.00 O ATOM 2157 CB GLN B 35 5.206 -29.861 3.028 1.00 0.00 C ATOM 2158 CG GLN B 35 4.375 -30.011 1.743 1.00 0.00 C ATOM 2159 CD GLN B 35 5.220 -29.723 0.520 1.00 0.00 C ATOM 2160 OE1 GLN B 35 6.292 -30.318 0.364 1.00 0.00 O ATOM 2161 NE2 GLN B 35 4.771 -28.809 -0.321 1.00 0.00 N ATOM 0 H GLN B 35 5.410 -27.409 3.269 1.00 0.00 H new ATOM 0 HA GLN B 35 3.384 -29.197 3.963 1.00 0.00 H new ATOM 0 HB2 GLN B 35 6.146 -29.360 2.796 1.00 0.00 H new ATOM 0 HB3 GLN B 35 5.458 -30.848 3.415 1.00 0.00 H new ATOM 0 HG2 GLN B 35 3.971 -31.021 1.682 1.00 0.00 H new ATOM 0 HG3 GLN B 35 3.525 -29.329 1.772 1.00 0.00 H new ATOM 0 HE21 GLN B 35 3.878 -28.348 -0.144 1.00 0.00 H new ATOM 0 HE22 GLN B 35 5.317 -28.564 -1.147 1.00 0.00 H new ATOM 2170 N ASN B 36 5.877 -29.157 6.069 1.00 0.00 N ATOM 2171 CA ASN B 36 6.331 -29.653 7.354 1.00 0.00 C ATOM 2172 C ASN B 36 5.758 -28.900 8.523 1.00 0.00 C ATOM 2173 O ASN B 36 6.227 -29.067 9.661 1.00 0.00 O ATOM 2174 CB ASN B 36 7.869 -29.642 7.406 1.00 0.00 C ATOM 2175 CG ASN B 36 8.477 -30.285 6.182 1.00 0.00 C ATOM 2176 OD1 ASN B 36 8.176 -31.441 5.862 1.00 0.00 O ATOM 2177 ND2 ASN B 36 9.326 -29.562 5.481 1.00 0.00 N ATOM 0 H ASN B 36 6.472 -28.431 5.671 1.00 0.00 H new ATOM 0 HA ASN B 36 5.964 -30.675 7.444 1.00 0.00 H new ATOM 0 HB2 ASN B 36 8.222 -28.614 7.490 1.00 0.00 H new ATOM 0 HB3 ASN B 36 8.206 -30.169 8.299 1.00 0.00 H new ATOM 0 HD21 ASN B 36 9.759 -29.953 4.644 1.00 0.00 H new ATOM 0 HD22 ASN B 36 9.551 -28.612 5.775 1.00 0.00 H new ATOM 2184 N ASN B 37 4.792 -28.014 8.291 1.00 0.00 N ATOM 2185 CA ASN B 37 4.148 -27.240 9.311 1.00 0.00 C ATOM 2186 C ASN B 37 5.122 -26.561 10.258 1.00 0.00 C ATOM 2187 O ASN B 37 4.894 -26.552 11.474 1.00 0.00 O ATOM 2188 CB ASN B 37 3.191 -28.123 10.150 1.00 0.00 C ATOM 2189 CG ASN B 37 1.854 -28.317 9.463 1.00 0.00 C ATOM 2190 OD1 ASN B 37 1.198 -27.354 9.072 1.00 0.00 O ATOM 2191 ND2 ASN B 37 1.462 -29.575 9.311 1.00 0.00 N ATOM 0 H ASN B 37 4.436 -27.820 7.355 1.00 0.00 H new ATOM 0 HA ASN B 37 3.595 -26.465 8.781 1.00 0.00 H new ATOM 0 HB2 ASN B 37 3.653 -29.094 10.326 1.00 0.00 H new ATOM 0 HB3 ASN B 37 3.035 -27.663 11.126 1.00 0.00 H new ATOM 0 HD21 ASN B 37 0.576 -29.781 8.850 1.00 0.00 H new ATOM 0 HD22 ASN B 37 2.047 -30.337 9.655 1.00 0.00 H new ATOM 2198 N LEU B 38 6.166 -25.945 9.712 1.00 0.00 N ATOM 2199 CA LEU B 38 7.131 -25.230 10.552 1.00 0.00 C ATOM 2200 C LEU B 38 6.475 -24.044 11.226 1.00 0.00 C ATOM 2201 O LEU B 38 5.681 -23.321 10.611 1.00 0.00 O ATOM 2202 CB LEU B 38 8.336 -24.822 9.696 1.00 0.00 C ATOM 2203 CG LEU B 38 9.555 -25.732 9.784 1.00 0.00 C ATOM 2204 CD1 LEU B 38 9.160 -27.202 9.710 1.00 0.00 C ATOM 2205 CD2 LEU B 38 10.590 -25.398 8.724 1.00 0.00 C ATOM 0 H LEU B 38 6.367 -25.923 8.712 1.00 0.00 H new ATOM 0 HA LEU B 38 7.487 -25.883 11.349 1.00 0.00 H new ATOM 0 HB2 LEU B 38 8.017 -24.774 8.655 1.00 0.00 H new ATOM 0 HB3 LEU B 38 8.637 -23.815 9.984 1.00 0.00 H new ATOM 0 HG LEU B 38 10.012 -25.554 10.757 1.00 0.00 H new ATOM 0 HD11 LEU B 38 10.054 -27.823 9.776 1.00 0.00 H new ATOM 0 HD12 LEU B 38 8.491 -27.441 10.536 1.00 0.00 H new ATOM 0 HD13 LEU B 38 8.653 -27.395 8.765 1.00 0.00 H new ATOM 0 HD21 LEU B 38 11.442 -26.070 8.823 1.00 0.00 H new ATOM 0 HD22 LEU B 38 10.148 -25.515 7.734 1.00 0.00 H new ATOM 0 HD23 LEU B 38 10.924 -24.368 8.853 1.00 0.00 H new ATOM 2217 N ASP B 39 6.818 -23.798 12.476 1.00 0.00 N ATOM 2218 CA ASP B 39 6.196 -22.735 13.283 1.00 0.00 C ATOM 2219 C ASP B 39 6.852 -21.398 13.066 1.00 0.00 C ATOM 2220 O ASP B 39 7.567 -20.853 13.922 1.00 0.00 O ATOM 2221 CB ASP B 39 6.240 -23.177 14.747 1.00 0.00 C ATOM 2222 CG ASP B 39 6.007 -22.101 15.762 1.00 0.00 C ATOM 2223 OD1 ASP B 39 5.023 -21.336 15.631 1.00 0.00 O ATOM 2224 OD2 ASP B 39 6.837 -21.973 16.704 1.00 0.00 O ATOM 0 H ASP B 39 7.537 -24.324 12.973 1.00 0.00 H new ATOM 0 HA ASP B 39 5.161 -22.592 12.974 1.00 0.00 H new ATOM 0 HB2 ASP B 39 5.492 -23.956 14.894 1.00 0.00 H new ATOM 0 HB3 ASP B 39 7.213 -23.628 14.941 1.00 0.00 H new ATOM 2229 N ILE B 40 6.713 -20.847 11.839 1.00 0.00 N ATOM 2230 CA ILE B 40 7.326 -19.539 11.558 1.00 0.00 C ATOM 2231 C ILE B 40 6.209 -18.533 11.297 1.00 0.00 C ATOM 2232 O ILE B 40 5.527 -18.585 10.281 1.00 0.00 O ATOM 2233 CB ILE B 40 8.344 -19.571 10.431 1.00 0.00 C ATOM 2234 CG1 ILE B 40 9.454 -20.596 10.701 1.00 0.00 C ATOM 2235 CG2 ILE B 40 8.974 -18.189 10.236 1.00 0.00 C ATOM 2236 CD1 ILE B 40 10.118 -21.129 9.435 1.00 0.00 C ATOM 0 H ILE B 40 6.205 -21.268 11.062 1.00 0.00 H new ATOM 0 HA ILE B 40 7.904 -19.236 12.431 1.00 0.00 H new ATOM 0 HB ILE B 40 7.812 -19.864 9.526 1.00 0.00 H new ATOM 0 HG12 ILE B 40 10.214 -20.137 11.334 1.00 0.00 H new ATOM 0 HG13 ILE B 40 9.036 -21.432 11.261 1.00 0.00 H new ATOM 0 HG21 ILE B 40 9.701 -18.232 9.425 1.00 0.00 H new ATOM 0 HG22 ILE B 40 8.196 -17.466 9.989 1.00 0.00 H new ATOM 0 HG23 ILE B 40 9.474 -17.884 11.155 1.00 0.00 H new ATOM 0 HD11 ILE B 40 10.892 -21.848 9.705 1.00 0.00 H new ATOM 0 HD12 ILE B 40 9.370 -21.618 8.810 1.00 0.00 H new ATOM 0 HD13 ILE B 40 10.567 -20.303 8.884 1.00 0.00 H new ATOM 2248 N ASP B 41 5.983 -17.675 12.291 1.00 0.00 N ATOM 2249 CA ASP B 41 4.861 -16.739 12.230 1.00 0.00 C ATOM 2250 C ASP B 41 4.835 -15.990 10.902 1.00 0.00 C ATOM 2251 O ASP B 41 5.837 -15.441 10.437 1.00 0.00 O ATOM 2252 CB ASP B 41 4.908 -15.757 13.387 1.00 0.00 C ATOM 2253 CG ASP B 41 4.802 -16.428 14.746 1.00 0.00 C ATOM 2254 OD1 ASP B 41 4.245 -17.538 14.828 1.00 0.00 O ATOM 2255 OD2 ASP B 41 5.330 -15.842 15.714 1.00 0.00 O ATOM 0 H ASP B 41 6.551 -17.608 13.135 1.00 0.00 H new ATOM 0 HA ASP B 41 3.944 -17.323 12.309 1.00 0.00 H new ATOM 0 HB2 ASP B 41 5.840 -15.193 13.339 1.00 0.00 H new ATOM 0 HB3 ASP B 41 4.095 -15.039 13.279 1.00 0.00 H new ATOM 2260 N GLY B 42 3.688 -16.036 10.244 1.00 0.00 N ATOM 2261 CA GLY B 42 3.367 -15.350 9.052 1.00 0.00 C ATOM 2262 C GLY B 42 4.017 -15.821 7.786 1.00 0.00 C ATOM 2263 O GLY B 42 3.791 -15.228 6.714 1.00 0.00 O ATOM 0 H GLY B 42 2.910 -16.607 10.576 1.00 0.00 H new ATOM 0 HA2 GLY B 42 2.287 -15.401 8.915 1.00 0.00 H new ATOM 0 HA3 GLY B 42 3.621 -14.299 9.190 1.00 0.00 H new ATOM 2267 N PHE B 43 4.849 -16.855 7.844 1.00 0.00 N ATOM 2268 CA PHE B 43 5.663 -17.215 6.668 1.00 0.00 C ATOM 2269 C PHE B 43 4.824 -17.690 5.520 1.00 0.00 C ATOM 2270 O PHE B 43 4.000 -18.622 5.669 1.00 0.00 O ATOM 2271 CB PHE B 43 6.718 -18.238 7.103 1.00 0.00 C ATOM 2272 CG PHE B 43 7.843 -18.423 6.132 1.00 0.00 C ATOM 2273 CD1 PHE B 43 7.697 -19.207 5.013 1.00 0.00 C ATOM 2274 CD2 PHE B 43 9.085 -17.844 6.382 1.00 0.00 C ATOM 2275 CE1 PHE B 43 8.745 -19.416 4.136 1.00 0.00 C ATOM 2276 CE2 PHE B 43 10.143 -18.046 5.520 1.00 0.00 C ATOM 2277 CZ PHE B 43 9.976 -18.822 4.390 1.00 0.00 C ATOM 0 H PHE B 43 4.983 -17.449 8.662 1.00 0.00 H new ATOM 0 HA PHE B 43 6.170 -16.327 6.290 1.00 0.00 H new ATOM 0 HB2 PHE B 43 7.131 -17.929 8.063 1.00 0.00 H new ATOM 0 HB3 PHE B 43 6.230 -19.200 7.261 1.00 0.00 H new ATOM 0 HD1 PHE B 43 6.742 -19.670 4.814 1.00 0.00 H new ATOM 0 HD2 PHE B 43 9.221 -17.230 7.260 1.00 0.00 H new ATOM 0 HE1 PHE B 43 8.609 -20.035 3.262 1.00 0.00 H new ATOM 0 HE2 PHE B 43 11.103 -17.597 5.729 1.00 0.00 H new ATOM 0 HZ PHE B 43 10.799 -18.967 3.706 1.00 0.00 H new ATOM 2287 N GLY B 44 4.979 -17.082 4.342 1.00 0.00 N ATOM 2288 CA GLY B 44 4.280 -17.555 3.145 1.00 0.00 C ATOM 2289 C GLY B 44 2.916 -16.904 2.967 1.00 0.00 C ATOM 2290 O GLY B 44 2.043 -17.457 2.272 1.00 0.00 O ATOM 0 H GLY B 44 5.576 -16.269 4.191 1.00 0.00 H new ATOM 0 HA2 GLY B 44 4.893 -17.351 2.267 1.00 0.00 H new ATOM 0 HA3 GLY B 44 4.157 -18.636 3.204 1.00 0.00 H new ATOM 2294 N ALA B 45 2.752 -15.697 3.463 1.00 0.00 N ATOM 2295 CA ALA B 45 1.486 -14.978 3.411 1.00 0.00 C ATOM 2296 C ALA B 45 0.815 -14.966 2.070 1.00 0.00 C ATOM 2297 O ALA B 45 -0.407 -15.255 1.986 1.00 0.00 O ATOM 2298 CB ALA B 45 1.700 -13.556 3.944 1.00 0.00 C ATOM 0 H ALA B 45 3.500 -15.176 3.921 1.00 0.00 H new ATOM 0 HA ALA B 45 0.790 -15.526 4.045 1.00 0.00 H new ATOM 0 HB1 ALA B 45 0.758 -13.009 3.909 1.00 0.00 H new ATOM 0 HB2 ALA B 45 2.055 -13.603 4.974 1.00 0.00 H new ATOM 0 HB3 ALA B 45 2.440 -13.044 3.328 1.00 0.00 H new ATOM 2304 N CYS B 46 1.488 -14.590 0.994 1.00 0.00 N ATOM 2305 CA CYS B 46 0.931 -14.563 -0.348 1.00 0.00 C ATOM 2306 C CYS B 46 0.991 -15.904 -1.053 1.00 0.00 C ATOM 2307 O CYS B 46 0.665 -16.008 -2.248 1.00 0.00 O ATOM 2308 CB CYS B 46 1.550 -13.469 -1.207 1.00 0.00 C ATOM 2309 SG CYS B 46 3.160 -13.790 -1.962 1.00 0.00 S ATOM 0 H CYS B 46 2.461 -14.288 1.031 1.00 0.00 H new ATOM 0 HA CYS B 46 -0.125 -14.328 -0.213 1.00 0.00 H new ATOM 0 HB2 CYS B 46 0.847 -13.235 -2.007 1.00 0.00 H new ATOM 0 HB3 CYS B 46 1.642 -12.574 -0.592 1.00 0.00 H new ATOM 2314 N GLU B 47 1.422 -16.952 -0.358 1.00 0.00 N ATOM 2315 CA GLU B 47 1.521 -18.280 -0.949 1.00 0.00 C ATOM 2316 C GLU B 47 2.362 -18.256 -2.214 1.00 0.00 C ATOM 2317 O GLU B 47 2.003 -18.824 -3.244 1.00 0.00 O ATOM 2318 CB GLU B 47 0.113 -18.826 -1.244 1.00 0.00 C ATOM 2319 CG GLU B 47 -0.685 -19.128 0.020 1.00 0.00 C ATOM 2320 CD GLU B 47 -2.166 -19.299 -0.254 1.00 0.00 C ATOM 2321 OE1 GLU B 47 -2.856 -18.271 -0.437 1.00 0.00 O ATOM 2322 OE2 GLU B 47 -2.642 -20.453 -0.288 1.00 0.00 O ATOM 0 H GLU B 47 1.709 -16.905 0.620 1.00 0.00 H new ATOM 0 HA GLU B 47 2.016 -18.940 -0.236 1.00 0.00 H new ATOM 0 HB2 GLU B 47 -0.433 -18.101 -1.847 1.00 0.00 H new ATOM 0 HB3 GLU B 47 0.199 -19.735 -1.839 1.00 0.00 H new ATOM 0 HG2 GLU B 47 -0.297 -20.036 0.482 1.00 0.00 H new ATOM 0 HG3 GLU B 47 -0.543 -18.320 0.737 1.00 0.00 H new ATOM 2329 N GLY B 48 3.500 -17.556 -2.163 1.00 0.00 N ATOM 2330 CA GLY B 48 4.462 -17.480 -3.192 1.00 0.00 C ATOM 2331 C GLY B 48 4.108 -16.815 -4.485 1.00 0.00 C ATOM 2332 O GLY B 48 4.503 -17.320 -5.564 1.00 0.00 O ATOM 0 H GLY B 48 3.760 -17.007 -1.343 1.00 0.00 H new ATOM 0 HA2 GLY B 48 5.333 -16.964 -2.787 1.00 0.00 H new ATOM 0 HA3 GLY B 48 4.774 -18.499 -3.423 1.00 0.00 H new ATOM 2336 N THR B 49 3.518 -15.627 -4.474 1.00 0.00 N ATOM 2337 CA THR B 49 3.195 -14.902 -5.698 1.00 0.00 C ATOM 2338 C THR B 49 3.911 -13.567 -5.769 1.00 0.00 C ATOM 2339 O THR B 49 3.514 -12.660 -6.509 1.00 0.00 O ATOM 2340 CB THR B 49 1.669 -14.652 -5.819 1.00 0.00 C ATOM 2341 OG1 THR B 49 1.250 -13.851 -4.711 1.00 0.00 O ATOM 2342 CG2 THR B 49 0.900 -15.955 -5.843 1.00 0.00 C ATOM 0 H THR B 49 3.250 -15.139 -3.619 1.00 0.00 H new ATOM 0 HA THR B 49 3.530 -15.531 -6.523 1.00 0.00 H new ATOM 0 HB THR B 49 1.464 -14.135 -6.756 1.00 0.00 H new ATOM 0 HG1 THR B 49 1.954 -13.843 -4.029 1.00 0.00 H new ATOM 0 HG21 THR B 49 -0.166 -15.747 -5.928 1.00 0.00 H new ATOM 0 HG22 THR B 49 1.222 -16.552 -6.696 1.00 0.00 H new ATOM 0 HG23 THR B 49 1.089 -16.506 -4.922 1.00 0.00 H new ATOM 2350 N LEU B 50 4.935 -13.387 -4.926 1.00 0.00 N ATOM 2351 CA LEU B 50 5.691 -12.153 -4.891 1.00 0.00 C ATOM 2352 C LEU B 50 4.838 -10.942 -4.576 1.00 0.00 C ATOM 2353 O LEU B 50 5.033 -9.855 -5.134 1.00 0.00 O ATOM 2354 CB LEU B 50 6.481 -11.964 -6.189 1.00 0.00 C ATOM 2355 CG LEU B 50 7.585 -13.014 -6.432 1.00 0.00 C ATOM 2356 CD1 LEU B 50 8.358 -12.692 -7.695 1.00 0.00 C ATOM 2357 CD2 LEU B 50 8.535 -13.043 -5.227 1.00 0.00 C ATOM 0 H LEU B 50 5.252 -14.091 -4.260 1.00 0.00 H new ATOM 0 HA LEU B 50 6.398 -12.241 -4.066 1.00 0.00 H new ATOM 0 HB2 LEU B 50 5.786 -11.987 -7.028 1.00 0.00 H new ATOM 0 HB3 LEU B 50 6.936 -10.974 -6.180 1.00 0.00 H new ATOM 0 HG LEU B 50 7.122 -13.993 -6.554 1.00 0.00 H new ATOM 0 HD11 LEU B 50 9.132 -13.444 -7.849 1.00 0.00 H new ATOM 0 HD12 LEU B 50 7.678 -12.691 -8.547 1.00 0.00 H new ATOM 0 HD13 LEU B 50 8.820 -11.710 -7.598 1.00 0.00 H new ATOM 0 HD21 LEU B 50 9.316 -13.784 -5.397 1.00 0.00 H new ATOM 0 HD22 LEU B 50 8.989 -12.061 -5.098 1.00 0.00 H new ATOM 0 HD23 LEU B 50 7.976 -13.305 -4.329 1.00 0.00 H new ATOM 2369 N ALA B 51 3.980 -11.073 -3.568 1.00 0.00 N ATOM 2370 CA ALA B 51 3.151 -9.951 -3.117 1.00 0.00 C ATOM 2371 C ALA B 51 3.331 -9.739 -1.620 1.00 0.00 C ATOM 2372 O ALA B 51 2.498 -9.128 -0.958 1.00 0.00 O ATOM 2373 CB ALA B 51 1.682 -10.239 -3.429 1.00 0.00 C ATOM 0 H ALA B 51 3.838 -11.939 -3.048 1.00 0.00 H new ATOM 0 HA ALA B 51 3.459 -9.046 -3.641 1.00 0.00 H new ATOM 0 HB1 ALA B 51 1.068 -9.403 -3.093 1.00 0.00 H new ATOM 0 HB2 ALA B 51 1.557 -10.371 -4.504 1.00 0.00 H new ATOM 0 HB3 ALA B 51 1.372 -11.148 -2.913 1.00 0.00 H new ATOM 2379 N CYS B 52 4.406 -10.332 -1.071 1.00 0.00 N ATOM 2380 CA CYS B 52 4.630 -10.192 0.384 1.00 0.00 C ATOM 2381 C CYS B 52 6.114 -10.332 0.696 1.00 0.00 C ATOM 2382 O CYS B 52 6.893 -10.547 -0.229 1.00 0.00 O ATOM 2383 CB CYS B 52 3.789 -11.207 1.136 1.00 0.00 C ATOM 2384 SG CYS B 52 4.483 -12.863 1.338 1.00 0.00 S ATOM 0 H CYS B 52 5.100 -10.884 -1.576 1.00 0.00 H new ATOM 0 HA CYS B 52 4.318 -9.201 0.713 1.00 0.00 H new ATOM 0 HB2 CYS B 52 3.580 -10.805 2.127 1.00 0.00 H new ATOM 0 HB3 CYS B 52 2.833 -11.301 0.622 1.00 0.00 H new ATOM 2389 N SER B 53 6.513 -10.046 1.948 1.00 0.00 N ATOM 2390 CA SER B 53 7.959 -10.213 2.248 1.00 0.00 C ATOM 2391 C SER B 53 8.165 -11.238 3.347 1.00 0.00 C ATOM 2392 O SER B 53 9.275 -11.355 3.885 1.00 0.00 O ATOM 2393 CB SER B 53 8.562 -8.867 2.631 1.00 0.00 C ATOM 2394 OG SER B 53 7.941 -8.305 3.767 1.00 0.00 O ATOM 0 H SER B 53 5.920 -9.725 2.714 1.00 0.00 H new ATOM 0 HA SER B 53 8.467 -10.581 1.357 1.00 0.00 H new ATOM 0 HB2 SER B 53 9.627 -8.991 2.826 1.00 0.00 H new ATOM 0 HB3 SER B 53 8.470 -8.178 1.791 1.00 0.00 H new ATOM 0 HG SER B 53 7.751 -7.358 3.601 1.00 0.00 H new ATOM 2400 N THR B 54 7.133 -11.996 3.693 1.00 0.00 N ATOM 2401 CA THR B 54 7.154 -12.878 4.831 1.00 0.00 C ATOM 2402 C THR B 54 7.992 -14.126 4.654 1.00 0.00 C ATOM 2403 O THR B 54 8.233 -14.832 5.642 1.00 0.00 O ATOM 2404 CB THR B 54 5.718 -13.334 5.241 1.00 0.00 C ATOM 2405 OG1 THR B 54 5.205 -14.202 4.212 1.00 0.00 O ATOM 2406 CG2 THR B 54 4.809 -12.113 5.343 1.00 0.00 C ATOM 0 H THR B 54 6.252 -12.009 3.179 1.00 0.00 H new ATOM 0 HA THR B 54 7.614 -12.269 5.610 1.00 0.00 H new ATOM 0 HB THR B 54 5.752 -13.850 6.200 1.00 0.00 H new ATOM 0 HG1 THR B 54 5.027 -13.680 3.402 1.00 0.00 H new ATOM 0 HG21 THR B 54 3.806 -12.429 5.629 1.00 0.00 H new ATOM 0 HG22 THR B 54 5.202 -11.429 6.095 1.00 0.00 H new ATOM 0 HG23 THR B 54 4.769 -11.608 4.378 1.00 0.00 H new ATOM 2414 N CYS B 55 8.377 -14.474 3.434 1.00 0.00 N ATOM 2415 CA CYS B 55 9.164 -15.656 3.180 1.00 0.00 C ATOM 2416 C CYS B 55 10.649 -15.312 3.031 1.00 0.00 C ATOM 2417 O CYS B 55 11.459 -16.151 2.656 1.00 0.00 O ATOM 2418 CB CYS B 55 8.694 -16.328 1.858 1.00 0.00 C ATOM 2419 SG CYS B 55 9.038 -15.307 0.427 1.00 0.00 S ATOM 0 H CYS B 55 8.148 -13.939 2.596 1.00 0.00 H new ATOM 0 HA CYS B 55 9.030 -16.329 4.027 1.00 0.00 H new ATOM 0 HB2 CYS B 55 9.191 -17.291 1.744 1.00 0.00 H new ATOM 0 HB3 CYS B 55 7.624 -16.527 1.913 1.00 0.00 H new ATOM 2424 N HIS B 56 10.998 -14.111 3.461 1.00 0.00 N ATOM 2425 CA HIS B 56 12.393 -13.662 3.457 1.00 0.00 C ATOM 2426 C HIS B 56 13.253 -14.594 4.319 1.00 0.00 C ATOM 2427 O HIS B 56 12.941 -14.856 5.472 1.00 0.00 O ATOM 2428 CB HIS B 56 12.433 -12.221 3.960 1.00 0.00 C ATOM 2429 CG HIS B 56 13.767 -11.628 4.255 1.00 0.00 C ATOM 2430 ND1 HIS B 56 13.916 -10.617 5.183 1.00 0.00 N ATOM 2431 CD2 HIS B 56 14.999 -11.855 3.760 1.00 0.00 C ATOM 2432 CE1 HIS B 56 15.193 -10.270 5.266 1.00 0.00 C ATOM 2433 NE2 HIS B 56 15.885 -10.999 4.413 1.00 0.00 N ATOM 0 H HIS B 56 10.337 -13.422 3.820 1.00 0.00 H new ATOM 0 HA HIS B 56 12.805 -13.695 2.448 1.00 0.00 H new ATOM 0 HB2 HIS B 56 11.943 -11.592 3.216 1.00 0.00 H new ATOM 0 HB3 HIS B 56 11.833 -12.166 4.868 1.00 0.00 H new ATOM 0 HD1 HIS B 56 13.158 -10.200 5.723 1.00 0.00 H new ATOM 0 HD2 HIS B 56 15.255 -12.572 2.994 1.00 0.00 H new ATOM 0 HE1 HIS B 56 15.599 -9.515 5.923 1.00 0.00 H new ATOM 2441 N LEU B 57 14.367 -15.048 3.750 1.00 0.00 N ATOM 2442 CA LEU B 57 15.334 -15.867 4.485 1.00 0.00 C ATOM 2443 C LEU B 57 16.743 -15.302 4.242 1.00 0.00 C ATOM 2444 O LEU B 57 17.002 -14.715 3.196 1.00 0.00 O ATOM 2445 CB LEU B 57 15.296 -17.323 4.062 1.00 0.00 C ATOM 2446 CG LEU B 57 14.030 -18.117 4.423 1.00 0.00 C ATOM 2447 CD1 LEU B 57 13.920 -19.375 3.589 1.00 0.00 C ATOM 2448 CD2 LEU B 57 13.999 -18.415 5.913 1.00 0.00 C ATOM 0 H LEU B 57 14.625 -14.863 2.781 1.00 0.00 H new ATOM 0 HA LEU B 57 15.073 -15.829 5.543 1.00 0.00 H new ATOM 0 HB2 LEU B 57 15.427 -17.366 2.981 1.00 0.00 H new ATOM 0 HB3 LEU B 57 16.153 -17.829 4.508 1.00 0.00 H new ATOM 0 HG LEU B 57 13.157 -17.507 4.191 1.00 0.00 H new ATOM 0 HD11 LEU B 57 13.016 -19.917 3.865 1.00 0.00 H new ATOM 0 HD12 LEU B 57 13.875 -19.109 2.533 1.00 0.00 H new ATOM 0 HD13 LEU B 57 14.790 -20.007 3.767 1.00 0.00 H new ATOM 0 HD21 LEU B 57 13.097 -18.978 6.153 1.00 0.00 H new ATOM 0 HD22 LEU B 57 14.876 -19.002 6.185 1.00 0.00 H new ATOM 0 HD23 LEU B 57 14.002 -17.479 6.471 1.00 0.00 H new ATOM 2460 N ILE B 58 17.612 -15.510 5.197 1.00 0.00 N ATOM 2461 CA ILE B 58 19.000 -15.078 5.142 1.00 0.00 C ATOM 2462 C ILE B 58 19.884 -16.340 5.015 1.00 0.00 C ATOM 2463 O ILE B 58 19.737 -17.266 5.824 1.00 0.00 O ATOM 2464 CB ILE B 58 19.378 -14.356 6.467 1.00 0.00 C ATOM 2465 CG1 ILE B 58 18.562 -13.065 6.593 1.00 0.00 C ATOM 2466 CG2 ILE B 58 20.877 -14.064 6.456 1.00 0.00 C ATOM 2467 CD1 ILE B 58 18.480 -12.560 8.031 1.00 0.00 C ATOM 0 H ILE B 58 17.375 -15.997 6.061 1.00 0.00 H new ATOM 0 HA ILE B 58 19.145 -14.401 4.300 1.00 0.00 H new ATOM 0 HB ILE B 58 19.150 -14.986 7.327 1.00 0.00 H new ATOM 0 HG12 ILE B 58 19.010 -12.294 5.966 1.00 0.00 H new ATOM 0 HG13 ILE B 58 17.555 -13.238 6.215 1.00 0.00 H new ATOM 0 HG21 ILE B 58 21.156 -13.557 7.380 1.00 0.00 H new ATOM 0 HG22 ILE B 58 21.429 -15.000 6.374 1.00 0.00 H new ATOM 0 HG23 ILE B 58 21.117 -13.426 5.606 1.00 0.00 H new ATOM 0 HD11 ILE B 58 17.891 -11.644 8.062 1.00 0.00 H new ATOM 0 HD12 ILE B 58 18.006 -13.317 8.656 1.00 0.00 H new ATOM 0 HD13 ILE B 58 19.484 -12.358 8.404 1.00 0.00 H new ATOM 2479 N PHE B 59 20.631 -16.409 3.928 1.00 0.00 N ATOM 2480 CA PHE B 59 21.362 -17.616 3.560 1.00 0.00 C ATOM 2481 C PHE B 59 22.834 -17.545 3.955 1.00 0.00 C ATOM 2482 O PHE B 59 23.376 -16.457 4.141 1.00 0.00 O ATOM 2483 CB PHE B 59 21.310 -17.712 1.983 1.00 0.00 C ATOM 2484 CG PHE B 59 19.909 -18.095 1.545 1.00 0.00 C ATOM 2485 CD1 PHE B 59 18.920 -17.140 1.436 1.00 0.00 C ATOM 2486 CD2 PHE B 59 19.589 -19.428 1.339 1.00 0.00 C ATOM 2487 CE1 PHE B 59 17.626 -17.496 1.112 1.00 0.00 C ATOM 2488 CE2 PHE B 59 18.292 -19.791 1.008 1.00 0.00 C ATOM 2489 CZ PHE B 59 17.319 -18.825 0.881 1.00 0.00 C ATOM 0 H PHE B 59 20.750 -15.635 3.275 1.00 0.00 H new ATOM 0 HA PHE B 59 20.911 -18.468 4.069 1.00 0.00 H new ATOM 0 HB2 PHE B 59 21.592 -16.757 1.540 1.00 0.00 H new ATOM 0 HB3 PHE B 59 22.028 -18.452 1.629 1.00 0.00 H new ATOM 0 HD1 PHE B 59 19.161 -16.101 1.606 1.00 0.00 H new ATOM 0 HD2 PHE B 59 20.352 -20.186 1.437 1.00 0.00 H new ATOM 0 HE1 PHE B 59 16.857 -16.741 1.039 1.00 0.00 H new ATOM 0 HE2 PHE B 59 18.045 -20.831 0.850 1.00 0.00 H new ATOM 0 HZ PHE B 59 16.314 -19.105 0.601 1.00 0.00 H new ATOM 2499 N GLU B 60 23.471 -18.718 4.048 1.00 0.00 N ATOM 2500 CA GLU B 60 24.942 -18.747 4.187 1.00 0.00 C ATOM 2501 C GLU B 60 25.564 -18.167 2.913 1.00 0.00 C ATOM 2502 O GLU B 60 25.062 -18.433 1.814 1.00 0.00 O ATOM 2503 CB GLU B 60 25.432 -20.172 4.379 1.00 0.00 C ATOM 2504 CG GLU B 60 24.953 -20.851 5.663 1.00 0.00 C ATOM 2505 CD GLU B 60 25.394 -22.308 5.706 1.00 0.00 C ATOM 2506 OE1 GLU B 60 26.632 -22.559 5.605 1.00 0.00 O ATOM 2507 OE2 GLU B 60 24.535 -23.184 5.846 1.00 0.00 O ATOM 0 H GLU B 60 23.017 -19.631 4.031 1.00 0.00 H new ATOM 0 HA GLU B 60 25.233 -18.159 5.058 1.00 0.00 H new ATOM 0 HB2 GLU B 60 25.108 -20.770 3.527 1.00 0.00 H new ATOM 0 HB3 GLU B 60 26.522 -20.170 4.371 1.00 0.00 H new ATOM 0 HG2 GLU B 60 25.350 -20.321 6.529 1.00 0.00 H new ATOM 0 HG3 GLU B 60 23.866 -20.794 5.725 1.00 0.00 H new ATOM 2514 N GLN B 61 26.694 -17.480 3.042 1.00 0.00 N ATOM 2515 CA GLN B 61 27.293 -16.831 1.865 1.00 0.00 C ATOM 2516 C GLN B 61 27.604 -17.796 0.738 1.00 0.00 C ATOM 2517 O GLN B 61 27.248 -17.511 -0.430 1.00 0.00 O ATOM 2518 CB GLN B 61 28.530 -16.027 2.247 1.00 0.00 C ATOM 2519 CG GLN B 61 29.298 -15.474 1.051 1.00 0.00 C ATOM 2520 CD GLN B 61 28.537 -14.408 0.292 1.00 0.00 C ATOM 2521 OE1 GLN B 61 27.726 -13.665 0.847 1.00 0.00 O ATOM 2522 NE2 GLN B 61 28.803 -14.307 -1.008 1.00 0.00 N ATOM 0 H GLN B 61 27.205 -17.356 3.916 1.00 0.00 H new ATOM 0 HA GLN B 61 26.535 -16.147 1.483 1.00 0.00 H new ATOM 0 HB2 GLN B 61 28.230 -15.199 2.889 1.00 0.00 H new ATOM 0 HB3 GLN B 61 29.196 -16.659 2.834 1.00 0.00 H new ATOM 0 HG2 GLN B 61 30.245 -15.058 1.396 1.00 0.00 H new ATOM 0 HG3 GLN B 61 29.538 -16.292 0.372 1.00 0.00 H new ATOM 0 HE21 GLN B 61 29.479 -14.936 -1.441 1.00 0.00 H new ATOM 0 HE22 GLN B 61 28.330 -13.600 -1.572 1.00 0.00 H new ATOM 2531 N HIS B 62 28.153 -18.956 1.021 1.00 0.00 N ATOM 2532 CA HIS B 62 28.562 -19.882 -0.051 1.00 0.00 C ATOM 2533 C HIS B 62 27.366 -20.447 -0.787 1.00 0.00 C ATOM 2534 O HIS B 62 27.444 -20.843 -1.962 1.00 0.00 O ATOM 2535 CB HIS B 62 29.470 -20.959 0.537 1.00 0.00 C ATOM 2536 CG HIS B 62 28.736 -21.985 1.343 1.00 0.00 C ATOM 2537 ND1 HIS B 62 28.260 -23.144 0.779 1.00 0.00 N ATOM 2538 CD2 HIS B 62 28.385 -22.027 2.644 1.00 0.00 C ATOM 2539 CE1 HIS B 62 27.659 -23.873 1.713 1.00 0.00 C ATOM 2540 NE2 HIS B 62 27.709 -23.193 2.857 1.00 0.00 N ATOM 0 H HIS B 62 28.332 -19.292 1.967 1.00 0.00 H new ATOM 0 HA HIS B 62 29.131 -19.339 -0.805 1.00 0.00 H new ATOM 0 HB2 HIS B 62 30.001 -21.458 -0.274 1.00 0.00 H new ATOM 0 HB3 HIS B 62 30.223 -20.484 1.167 1.00 0.00 H new ATOM 0 HD2 HIS B 62 28.601 -21.272 3.386 1.00 0.00 H new ATOM 0 HE1 HIS B 62 27.210 -24.845 1.570 1.00 0.00 H new ATOM 0 HE2 HIS B 62 27.308 -23.494 3.745 1.00 0.00 H new ATOM 2548 N ILE B 63 26.231 -20.553 -0.099 1.00 0.00 N ATOM 2549 CA ILE B 63 24.968 -20.935 -0.716 1.00 0.00 C ATOM 2550 C ILE B 63 24.411 -19.766 -1.520 1.00 0.00 C ATOM 2551 O ILE B 63 24.137 -19.897 -2.719 1.00 0.00 O ATOM 2552 CB ILE B 63 23.940 -21.366 0.346 1.00 0.00 C ATOM 2553 CG1 ILE B 63 24.358 -22.639 1.064 1.00 0.00 C ATOM 2554 CG2 ILE B 63 22.562 -21.549 -0.291 1.00 0.00 C ATOM 2555 CD1 ILE B 63 24.579 -23.839 0.159 1.00 0.00 C ATOM 0 H ILE B 63 26.164 -20.376 0.903 1.00 0.00 H new ATOM 0 HA ILE B 63 25.155 -21.781 -1.377 1.00 0.00 H new ATOM 0 HB ILE B 63 23.891 -20.571 1.090 1.00 0.00 H new ATOM 0 HG12 ILE B 63 25.278 -22.443 1.615 1.00 0.00 H new ATOM 0 HG13 ILE B 63 23.594 -22.892 1.799 1.00 0.00 H new ATOM 0 HG21 ILE B 63 21.846 -21.854 0.472 1.00 0.00 H new ATOM 0 HG22 ILE B 63 22.239 -20.608 -0.736 1.00 0.00 H new ATOM 0 HG23 ILE B 63 22.617 -22.316 -1.064 1.00 0.00 H new ATOM 0 HD11 ILE B 63 24.874 -24.699 0.760 1.00 0.00 H new ATOM 0 HD12 ILE B 63 23.656 -24.068 -0.373 1.00 0.00 H new ATOM 0 HD13 ILE B 63 25.366 -23.612 -0.560 1.00 0.00 H new ATOM 2567 N PHE B 64 24.316 -18.590 -0.897 1.00 0.00 N ATOM 2568 CA PHE B 64 23.787 -17.400 -1.534 1.00 0.00 C ATOM 2569 C PHE B 64 24.396 -17.109 -2.891 1.00 0.00 C ATOM 2570 O PHE B 64 23.707 -16.624 -3.804 1.00 0.00 O ATOM 2571 CB PHE B 64 23.934 -16.174 -0.628 1.00 0.00 C ATOM 2572 CG PHE B 64 23.411 -14.889 -1.172 1.00 0.00 C ATOM 2573 CD1 PHE B 64 22.054 -14.600 -1.157 1.00 0.00 C ATOM 2574 CD2 PHE B 64 24.281 -13.937 -1.710 1.00 0.00 C ATOM 2575 CE1 PHE B 64 21.572 -13.405 -1.656 1.00 0.00 C ATOM 2576 CE2 PHE B 64 23.798 -12.759 -2.250 1.00 0.00 C ATOM 2577 CZ PHE B 64 22.448 -12.485 -2.206 1.00 0.00 C ATOM 0 H PHE B 64 24.608 -18.444 0.069 1.00 0.00 H new ATOM 0 HA PHE B 64 22.730 -17.610 -1.700 1.00 0.00 H new ATOM 0 HB2 PHE B 64 23.425 -16.380 0.313 1.00 0.00 H new ATOM 0 HB3 PHE B 64 24.991 -16.043 -0.397 1.00 0.00 H new ATOM 0 HD1 PHE B 64 21.362 -15.322 -0.748 1.00 0.00 H new ATOM 0 HD2 PHE B 64 25.345 -14.124 -1.704 1.00 0.00 H new ATOM 0 HE1 PHE B 64 20.514 -13.189 -1.617 1.00 0.00 H new ATOM 0 HE2 PHE B 64 24.478 -12.054 -2.706 1.00 0.00 H new ATOM 0 HZ PHE B 64 22.073 -11.552 -2.601 1.00 0.00 H new ATOM 2587 N GLU B 65 25.718 -17.212 -3.007 1.00 0.00 N ATOM 2588 CA GLU B 65 26.406 -16.813 -4.220 1.00 0.00 C ATOM 2589 C GLU B 65 26.140 -17.715 -5.401 1.00 0.00 C ATOM 2590 O GLU B 65 26.461 -17.331 -6.533 1.00 0.00 O ATOM 2591 CB GLU B 65 27.893 -16.606 -3.989 1.00 0.00 C ATOM 2592 CG GLU B 65 28.668 -17.814 -3.519 1.00 0.00 C ATOM 2593 CD GLU B 65 30.069 -17.463 -3.047 1.00 0.00 C ATOM 2594 OE1 GLU B 65 30.342 -16.270 -2.818 1.00 0.00 O ATOM 2595 OE2 GLU B 65 30.892 -18.400 -2.901 1.00 0.00 O ATOM 0 H GLU B 65 26.329 -17.569 -2.273 1.00 0.00 H new ATOM 0 HA GLU B 65 25.976 -15.849 -4.490 1.00 0.00 H new ATOM 0 HB2 GLU B 65 28.339 -16.253 -4.919 1.00 0.00 H new ATOM 0 HB3 GLU B 65 28.018 -15.811 -3.254 1.00 0.00 H new ATOM 0 HG2 GLU B 65 28.125 -18.296 -2.706 1.00 0.00 H new ATOM 0 HG3 GLU B 65 28.733 -18.538 -4.331 1.00 0.00 H new ATOM 2602 N LYS B 66 25.528 -18.879 -5.204 1.00 0.00 N ATOM 2603 CA LYS B 66 25.256 -19.787 -6.325 1.00 0.00 C ATOM 2604 C LYS B 66 23.764 -19.956 -6.564 1.00 0.00 C ATOM 2605 O LYS B 66 23.328 -20.894 -7.246 1.00 0.00 O ATOM 2606 CB LYS B 66 25.916 -21.144 -6.087 1.00 0.00 C ATOM 2607 CG LYS B 66 27.396 -21.062 -5.746 1.00 0.00 C ATOM 2608 CD LYS B 66 28.215 -20.552 -6.922 1.00 0.00 C ATOM 2609 CE LYS B 66 29.333 -21.536 -7.267 1.00 0.00 C ATOM 2610 NZ LYS B 66 28.780 -22.922 -7.441 1.00 0.00 N ATOM 0 H LYS B 66 25.213 -19.217 -4.295 1.00 0.00 H new ATOM 0 HA LYS B 66 25.684 -19.339 -7.222 1.00 0.00 H new ATOM 0 HB2 LYS B 66 25.395 -21.653 -5.276 1.00 0.00 H new ATOM 0 HB3 LYS B 66 25.793 -21.758 -6.979 1.00 0.00 H new ATOM 0 HG2 LYS B 66 27.537 -20.401 -4.890 1.00 0.00 H new ATOM 0 HG3 LYS B 66 27.757 -22.047 -5.451 1.00 0.00 H new ATOM 0 HD2 LYS B 66 27.568 -20.410 -7.788 1.00 0.00 H new ATOM 0 HD3 LYS B 66 28.642 -19.579 -6.680 1.00 0.00 H new ATOM 0 HE2 LYS B 66 29.833 -21.220 -8.182 1.00 0.00 H new ATOM 0 HE3 LYS B 66 30.084 -21.534 -6.477 1.00 0.00 H new ATOM 0 HZ1 LYS B 66 29.299 -23.410 -8.199 1.00 0.00 H new ATOM 0 HZ2 LYS B 66 28.885 -23.452 -6.552 1.00 0.00 H new ATOM 0 HZ3 LYS B 66 27.772 -22.865 -7.692 1.00 0.00 H new ATOM 2624 N LEU B 67 22.970 -19.089 -5.946 1.00 0.00 N ATOM 2625 CA LEU B 67 21.517 -19.141 -6.155 1.00 0.00 C ATOM 2626 C LEU B 67 21.178 -18.602 -7.538 1.00 0.00 C ATOM 2627 O LEU B 67 21.974 -17.869 -8.144 1.00 0.00 O ATOM 2628 CB LEU B 67 20.808 -18.319 -5.066 1.00 0.00 C ATOM 2629 CG LEU B 67 20.979 -18.870 -3.631 1.00 0.00 C ATOM 2630 CD1 LEU B 67 20.273 -17.965 -2.635 1.00 0.00 C ATOM 2631 CD2 LEU B 67 20.409 -20.285 -3.545 1.00 0.00 C ATOM 0 H LEU B 67 23.290 -18.358 -5.311 1.00 0.00 H new ATOM 0 HA LEU B 67 21.176 -20.174 -6.090 1.00 0.00 H new ATOM 0 HB2 LEU B 67 21.186 -17.297 -5.096 1.00 0.00 H new ATOM 0 HB3 LEU B 67 19.744 -18.272 -5.299 1.00 0.00 H new ATOM 0 HG LEU B 67 22.041 -18.899 -3.389 1.00 0.00 H new ATOM 0 HD11 LEU B 67 20.400 -18.363 -1.628 1.00 0.00 H new ATOM 0 HD12 LEU B 67 20.701 -16.964 -2.686 1.00 0.00 H new ATOM 0 HD13 LEU B 67 19.211 -17.918 -2.875 1.00 0.00 H new ATOM 0 HD21 LEU B 67 20.533 -20.666 -2.531 1.00 0.00 H new ATOM 0 HD22 LEU B 67 19.349 -20.266 -3.798 1.00 0.00 H new ATOM 0 HD23 LEU B 67 20.938 -20.933 -4.244 1.00 0.00 H new ATOM 2643 N GLU B 68 20.024 -18.985 -8.055 1.00 0.00 N ATOM 2644 CA GLU B 68 19.572 -18.497 -9.364 1.00 0.00 C ATOM 2645 C GLU B 68 19.486 -16.977 -9.359 1.00 0.00 C ATOM 2646 O GLU B 68 19.079 -16.369 -8.356 1.00 0.00 O ATOM 2647 CB GLU B 68 18.144 -19.072 -9.590 1.00 0.00 C ATOM 2648 CG GLU B 68 17.274 -18.729 -8.369 1.00 0.00 C ATOM 2649 CD GLU B 68 17.062 -19.915 -7.459 1.00 0.00 C ATOM 2650 OE1 GLU B 68 17.982 -20.351 -6.737 1.00 0.00 O ATOM 2651 OE2 GLU B 68 15.892 -20.395 -7.469 1.00 0.00 O ATOM 0 H GLU B 68 19.379 -19.629 -7.598 1.00 0.00 H new ATOM 0 HA GLU B 68 20.267 -18.806 -10.145 1.00 0.00 H new ATOM 0 HB2 GLU B 68 17.707 -18.652 -10.495 1.00 0.00 H new ATOM 0 HB3 GLU B 68 18.190 -20.152 -9.730 1.00 0.00 H new ATOM 0 HG2 GLU B 68 17.745 -17.923 -7.806 1.00 0.00 H new ATOM 0 HG3 GLU B 68 16.307 -18.358 -8.709 1.00 0.00 H new ATOM 2658 N ALA B 69 19.859 -16.351 -10.461 1.00 0.00 N ATOM 2659 CA ALA B 69 19.848 -14.902 -10.586 1.00 0.00 C ATOM 2660 C ALA B 69 18.514 -14.329 -10.105 1.00 0.00 C ATOM 2661 O ALA B 69 17.458 -14.780 -10.563 1.00 0.00 O ATOM 2662 CB ALA B 69 20.058 -14.503 -12.052 1.00 0.00 C ATOM 0 H ALA B 69 20.180 -16.835 -11.300 1.00 0.00 H new ATOM 0 HA ALA B 69 20.654 -14.502 -9.971 1.00 0.00 H new ATOM 0 HB1 ALA B 69 20.049 -13.416 -12.138 1.00 0.00 H new ATOM 0 HB2 ALA B 69 21.017 -14.886 -12.400 1.00 0.00 H new ATOM 0 HB3 ALA B 69 19.257 -14.922 -12.661 1.00 0.00 H new ATOM 2668 N ILE B 70 18.570 -13.257 -9.324 1.00 0.00 N ATOM 2669 CA ILE B 70 17.334 -12.672 -8.800 1.00 0.00 C ATOM 2670 C ILE B 70 16.582 -11.936 -9.910 1.00 0.00 C ATOM 2671 O ILE B 70 17.196 -11.212 -10.695 1.00 0.00 O ATOM 2672 CB ILE B 70 17.589 -11.735 -7.621 1.00 0.00 C ATOM 2673 CG1 ILE B 70 16.265 -11.225 -7.033 1.00 0.00 C ATOM 2674 CG2 ILE B 70 18.475 -10.564 -8.002 1.00 0.00 C ATOM 2675 CD1 ILE B 70 16.397 -10.787 -5.577 1.00 0.00 C ATOM 0 H ILE B 70 19.429 -12.784 -9.044 1.00 0.00 H new ATOM 0 HA ILE B 70 16.720 -13.494 -8.432 1.00 0.00 H new ATOM 0 HB ILE B 70 18.116 -12.315 -6.863 1.00 0.00 H new ATOM 0 HG12 ILE B 70 15.907 -10.386 -7.629 1.00 0.00 H new ATOM 0 HG13 ILE B 70 15.513 -12.011 -7.105 1.00 0.00 H new ATOM 0 HG21 ILE B 70 18.628 -9.926 -7.132 1.00 0.00 H new ATOM 0 HG22 ILE B 70 19.438 -10.935 -8.354 1.00 0.00 H new ATOM 0 HG23 ILE B 70 17.997 -9.989 -8.795 1.00 0.00 H new ATOM 0 HD11 ILE B 70 15.431 -10.436 -5.214 1.00 0.00 H new ATOM 0 HD12 ILE B 70 16.728 -11.631 -4.972 1.00 0.00 H new ATOM 0 HD13 ILE B 70 17.127 -9.981 -5.504 1.00 0.00 H new ATOM 2687 N THR B 71 15.271 -12.100 -9.940 1.00 0.00 N ATOM 2688 CA THR B 71 14.453 -11.385 -10.931 1.00 0.00 C ATOM 2689 C THR B 71 14.053 -10.017 -10.374 1.00 0.00 C ATOM 2690 O THR B 71 13.991 -9.812 -9.163 1.00 0.00 O ATOM 2691 CB THR B 71 13.172 -12.148 -11.278 1.00 0.00 C ATOM 2692 OG1 THR B 71 12.389 -12.303 -10.075 1.00 0.00 O ATOM 2693 CG2 THR B 71 13.450 -13.500 -11.882 1.00 0.00 C ATOM 0 H THR B 71 14.749 -12.707 -9.308 1.00 0.00 H new ATOM 0 HA THR B 71 15.056 -11.284 -11.833 1.00 0.00 H new ATOM 0 HB THR B 71 12.628 -11.573 -12.027 1.00 0.00 H new ATOM 0 HG1 THR B 71 11.564 -12.789 -10.282 1.00 0.00 H new ATOM 0 HG21 THR B 71 12.507 -13.998 -12.109 1.00 0.00 H new ATOM 0 HG22 THR B 71 14.026 -13.377 -12.799 1.00 0.00 H new ATOM 0 HG23 THR B 71 14.019 -14.104 -11.175 1.00 0.00 H new ATOM 2701 N ASP B 72 13.649 -9.126 -11.285 1.00 0.00 N ATOM 2702 CA ASP B 72 13.220 -7.788 -10.866 1.00 0.00 C ATOM 2703 C ASP B 72 11.992 -7.884 -9.969 1.00 0.00 C ATOM 2704 O ASP B 72 11.814 -7.066 -9.052 1.00 0.00 O ATOM 2705 CB ASP B 72 12.908 -6.941 -12.106 1.00 0.00 C ATOM 2706 CG ASP B 72 14.147 -6.347 -12.748 1.00 0.00 C ATOM 2707 OD1 ASP B 72 15.251 -6.428 -12.168 1.00 0.00 O ATOM 2708 OD2 ASP B 72 14.005 -5.756 -13.846 1.00 0.00 O ATOM 0 H ASP B 72 13.610 -9.299 -12.289 1.00 0.00 H new ATOM 0 HA ASP B 72 14.022 -7.314 -10.300 1.00 0.00 H new ATOM 0 HB2 ASP B 72 12.387 -7.558 -12.838 1.00 0.00 H new ATOM 0 HB3 ASP B 72 12.229 -6.135 -11.827 1.00 0.00 H new ATOM 2713 N GLU B 73 11.101 -8.827 -10.267 1.00 0.00 N ATOM 2714 CA GLU B 73 9.885 -8.971 -9.479 1.00 0.00 C ATOM 2715 C GLU B 73 10.214 -9.315 -8.033 1.00 0.00 C ATOM 2716 O GLU B 73 9.706 -8.681 -7.097 1.00 0.00 O ATOM 2717 CB GLU B 73 8.922 -10.001 -10.072 1.00 0.00 C ATOM 2718 CG GLU B 73 7.562 -9.982 -9.403 1.00 0.00 C ATOM 2719 CD GLU B 73 6.488 -10.789 -10.071 1.00 0.00 C ATOM 2720 OE1 GLU B 73 6.785 -11.719 -10.856 1.00 0.00 O ATOM 2721 OE2 GLU B 73 5.290 -10.511 -9.787 1.00 0.00 O ATOM 0 H GLU B 73 11.197 -9.491 -11.035 1.00 0.00 H new ATOM 0 HA GLU B 73 9.377 -8.007 -9.504 1.00 0.00 H new ATOM 0 HB2 GLU B 73 8.801 -9.808 -11.138 1.00 0.00 H new ATOM 0 HB3 GLU B 73 9.356 -10.996 -9.976 1.00 0.00 H new ATOM 0 HG2 GLU B 73 7.677 -10.343 -8.381 1.00 0.00 H new ATOM 0 HG3 GLU B 73 7.225 -8.947 -9.340 1.00 0.00 H new ATOM 2728 N GLU B 74 11.136 -10.274 -7.852 1.00 0.00 N ATOM 2729 CA GLU B 74 11.534 -10.628 -6.485 1.00 0.00 C ATOM 2730 C GLU B 74 12.181 -9.442 -5.791 1.00 0.00 C ATOM 2731 O GLU B 74 11.813 -9.087 -4.675 1.00 0.00 O ATOM 2732 CB GLU B 74 12.475 -11.833 -6.466 1.00 0.00 C ATOM 2733 CG GLU B 74 12.891 -12.203 -5.046 1.00 0.00 C ATOM 2734 CD GLU B 74 13.865 -13.341 -4.956 1.00 0.00 C ATOM 2735 OE1 GLU B 74 14.047 -14.114 -5.913 1.00 0.00 O ATOM 2736 OE2 GLU B 74 14.496 -13.496 -3.876 1.00 0.00 O ATOM 0 H GLU B 74 11.599 -10.795 -8.596 1.00 0.00 H new ATOM 0 HA GLU B 74 10.630 -10.903 -5.942 1.00 0.00 H new ATOM 0 HB2 GLU B 74 11.984 -12.686 -6.935 1.00 0.00 H new ATOM 0 HB3 GLU B 74 13.362 -11.611 -7.059 1.00 0.00 H new ATOM 0 HG2 GLU B 74 13.332 -11.327 -4.571 1.00 0.00 H new ATOM 0 HG3 GLU B 74 11.999 -12.460 -4.475 1.00 0.00 H new ATOM 2743 N ASN B 75 13.093 -8.762 -6.477 1.00 0.00 N ATOM 2744 CA ASN B 75 13.792 -7.619 -5.938 1.00 0.00 C ATOM 2745 C ASN B 75 12.888 -6.517 -5.442 1.00 0.00 C ATOM 2746 O ASN B 75 13.151 -5.927 -4.378 1.00 0.00 O ATOM 2747 CB ASN B 75 14.798 -7.085 -6.966 1.00 0.00 C ATOM 2748 CG ASN B 75 15.944 -6.340 -6.327 1.00 0.00 C ATOM 2749 OD1 ASN B 75 16.590 -6.832 -5.400 1.00 0.00 O ATOM 2750 ND2 ASN B 75 16.209 -5.131 -6.821 1.00 0.00 N ATOM 0 H ASN B 75 13.365 -8.997 -7.432 1.00 0.00 H new ATOM 0 HA ASN B 75 14.321 -7.974 -5.054 1.00 0.00 H new ATOM 0 HB2 ASN B 75 15.192 -7.917 -7.549 1.00 0.00 H new ATOM 0 HB3 ASN B 75 14.283 -6.423 -7.662 1.00 0.00 H new ATOM 0 HD21 ASN B 75 16.971 -4.576 -6.431 1.00 0.00 H new ATOM 0 HD22 ASN B 75 15.650 -4.760 -7.589 1.00 0.00 H new ATOM 2757 N ASP B 76 11.790 -6.232 -6.138 1.00 0.00 N ATOM 2758 CA ASP B 76 10.868 -5.180 -5.741 1.00 0.00 C ATOM 2759 C ASP B 76 10.186 -5.517 -4.412 1.00 0.00 C ATOM 2760 O ASP B 76 9.904 -4.640 -3.607 1.00 0.00 O ATOM 2761 CB ASP B 76 9.767 -4.984 -6.793 1.00 0.00 C ATOM 2762 CG ASP B 76 10.219 -4.300 -8.050 1.00 0.00 C ATOM 2763 OD1 ASP B 76 11.315 -3.695 -8.072 1.00 0.00 O ATOM 2764 OD2 ASP B 76 9.471 -4.375 -9.059 1.00 0.00 O ATOM 0 H ASP B 76 11.518 -6.724 -6.989 1.00 0.00 H new ATOM 0 HA ASP B 76 11.458 -4.269 -5.640 1.00 0.00 H new ATOM 0 HB2 ASP B 76 9.354 -5.958 -7.054 1.00 0.00 H new ATOM 0 HB3 ASP B 76 8.958 -4.403 -6.350 1.00 0.00 H new ATOM 2769 N MET B 77 9.858 -6.798 -4.247 1.00 0.00 N ATOM 2770 CA MET B 77 9.215 -7.259 -3.012 1.00 0.00 C ATOM 2771 C MET B 77 10.258 -7.351 -1.898 1.00 0.00 C ATOM 2772 O MET B 77 10.043 -6.933 -0.782 1.00 0.00 O ATOM 2773 CB MET B 77 8.585 -8.624 -3.240 1.00 0.00 C ATOM 2774 CG MET B 77 7.270 -8.911 -2.643 1.00 0.00 C ATOM 2775 SD MET B 77 6.136 -7.550 -2.442 1.00 0.00 S ATOM 2776 CE MET B 77 6.577 -6.927 -0.843 1.00 0.00 C ATOM 0 H MET B 77 10.023 -7.528 -4.941 1.00 0.00 H new ATOM 0 HA MET B 77 8.438 -6.551 -2.722 1.00 0.00 H new ATOM 0 HB2 MET B 77 8.497 -8.770 -4.317 1.00 0.00 H new ATOM 0 HB3 MET B 77 9.284 -9.375 -2.873 1.00 0.00 H new ATOM 0 HG2 MET B 77 6.781 -9.667 -3.257 1.00 0.00 H new ATOM 0 HG3 MET B 77 7.437 -9.356 -1.662 1.00 0.00 H new ATOM 0 HE1 MET B 77 5.812 -7.208 -0.119 1.00 0.00 H new ATOM 0 HE2 MET B 77 7.535 -7.349 -0.540 1.00 0.00 H new ATOM 0 HE3 MET B 77 6.655 -5.841 -0.885 1.00 0.00 H new ATOM 2786 N LEU B 78 11.443 -7.842 -2.287 1.00 0.00 N ATOM 2787 CA LEU B 78 12.526 -8.020 -1.308 1.00 0.00 C ATOM 2788 C LEU B 78 12.968 -6.699 -0.722 1.00 0.00 C ATOM 2789 O LEU B 78 13.206 -6.584 0.491 1.00 0.00 O ATOM 2790 CB LEU B 78 13.686 -8.773 -1.943 1.00 0.00 C ATOM 2791 CG LEU B 78 14.859 -9.133 -1.020 1.00 0.00 C ATOM 2792 CD1 LEU B 78 14.397 -10.171 -0.001 1.00 0.00 C ATOM 2793 CD2 LEU B 78 16.024 -9.662 -1.848 1.00 0.00 C ATOM 0 H LEU B 78 11.673 -8.116 -3.242 1.00 0.00 H new ATOM 0 HA LEU B 78 12.146 -8.617 -0.479 1.00 0.00 H new ATOM 0 HB2 LEU B 78 13.298 -9.695 -2.376 1.00 0.00 H new ATOM 0 HB3 LEU B 78 14.072 -8.172 -2.766 1.00 0.00 H new ATOM 0 HG LEU B 78 15.198 -8.245 -0.486 1.00 0.00 H new ATOM 0 HD11 LEU B 78 15.227 -10.430 0.657 1.00 0.00 H new ATOM 0 HD12 LEU B 78 13.579 -9.761 0.591 1.00 0.00 H new ATOM 0 HD13 LEU B 78 14.055 -11.065 -0.522 1.00 0.00 H new ATOM 0 HD21 LEU B 78 16.854 -9.916 -1.188 1.00 0.00 H new ATOM 0 HD22 LEU B 78 15.709 -10.552 -2.393 1.00 0.00 H new ATOM 0 HD23 LEU B 78 16.344 -8.897 -2.556 1.00 0.00 H new ATOM 2805 N ASP B 79 12.936 -5.645 -1.530 1.00 0.00 N ATOM 2806 CA ASP B 79 13.269 -4.296 -1.124 1.00 0.00 C ATOM 2807 C ASP B 79 12.508 -3.832 0.109 1.00 0.00 C ATOM 2808 O ASP B 79 12.998 -2.992 0.864 1.00 0.00 O ATOM 2809 CB ASP B 79 13.004 -3.324 -2.282 1.00 0.00 C ATOM 2810 CG ASP B 79 14.073 -3.322 -3.346 1.00 0.00 C ATOM 2811 OD1 ASP B 79 15.096 -4.029 -3.206 1.00 0.00 O ATOM 2812 OD2 ASP B 79 13.888 -2.600 -4.361 1.00 0.00 O ATOM 0 H ASP B 79 12.669 -5.714 -2.512 1.00 0.00 H new ATOM 0 HA ASP B 79 14.327 -4.303 -0.861 1.00 0.00 H new ATOM 0 HB2 ASP B 79 12.049 -3.578 -2.743 1.00 0.00 H new ATOM 0 HB3 ASP B 79 12.906 -2.316 -1.880 1.00 0.00 H new ATOM 2817 N CYS B 80 11.276 -4.321 0.288 1.00 0.00 N ATOM 2818 CA CYS B 80 10.429 -3.948 1.381 1.00 0.00 C ATOM 2819 C CYS B 80 10.567 -4.818 2.625 1.00 0.00 C ATOM 2820 O CYS B 80 9.907 -4.538 3.635 1.00 0.00 O ATOM 2821 CB CYS B 80 8.968 -3.969 0.865 1.00 0.00 C ATOM 2822 SG CYS B 80 8.023 -5.353 1.598 1.00 0.00 S ATOM 0 H CYS B 80 10.850 -4.998 -0.345 1.00 0.00 H new ATOM 0 HA CYS B 80 10.736 -2.955 1.710 1.00 0.00 H new ATOM 0 HB2 CYS B 80 8.481 -3.025 1.108 1.00 0.00 H new ATOM 0 HB3 CYS B 80 8.965 -4.059 -0.221 1.00 0.00 H new ATOM 2827 N ALA B 81 11.365 -5.873 2.587 1.00 0.00 N ATOM 2828 CA ALA B 81 11.472 -6.774 3.734 1.00 0.00 C ATOM 2829 C ALA B 81 12.141 -6.102 4.927 1.00 0.00 C ATOM 2830 O ALA B 81 13.023 -5.258 4.767 1.00 0.00 O ATOM 2831 CB ALA B 81 12.273 -8.018 3.358 1.00 0.00 C ATOM 0 H ALA B 81 11.944 -6.129 1.787 1.00 0.00 H new ATOM 0 HA ALA B 81 10.456 -7.050 4.017 1.00 0.00 H new ATOM 0 HB1 ALA B 81 12.344 -8.679 4.221 1.00 0.00 H new ATOM 0 HB2 ALA B 81 11.773 -8.540 2.542 1.00 0.00 H new ATOM 0 HB3 ALA B 81 13.274 -7.724 3.042 1.00 0.00 H new ATOM 2837 N TYR B 82 11.785 -6.550 6.117 1.00 0.00 N ATOM 2838 CA TYR B 82 12.454 -6.142 7.345 1.00 0.00 C ATOM 2839 C TYR B 82 13.756 -6.936 7.495 1.00 0.00 C ATOM 2840 O TYR B 82 13.783 -8.120 7.152 1.00 0.00 O ATOM 2841 CB TYR B 82 11.530 -6.486 8.546 1.00 0.00 C ATOM 2842 CG TYR B 82 12.210 -6.322 9.883 1.00 0.00 C ATOM 2843 CD1 TYR B 82 12.253 -5.080 10.511 1.00 0.00 C ATOM 2844 CD2 TYR B 82 12.841 -7.394 10.509 1.00 0.00 C ATOM 2845 CE1 TYR B 82 12.893 -4.920 11.728 1.00 0.00 C ATOM 2846 CE2 TYR B 82 13.484 -7.241 11.724 1.00 0.00 C ATOM 2847 CZ TYR B 82 13.492 -6.002 12.333 1.00 0.00 C ATOM 2848 OH TYR B 82 14.124 -5.835 13.548 1.00 0.00 O ATOM 0 H TYR B 82 11.021 -7.210 6.263 1.00 0.00 H new ATOM 0 HA TYR B 82 12.668 -5.074 7.316 1.00 0.00 H new ATOM 0 HB2 TYR B 82 10.648 -5.846 8.513 1.00 0.00 H new ATOM 0 HB3 TYR B 82 11.182 -7.514 8.446 1.00 0.00 H new ATOM 0 HD1 TYR B 82 11.780 -4.230 10.042 1.00 0.00 H new ATOM 0 HD2 TYR B 82 12.828 -8.365 10.036 1.00 0.00 H new ATOM 0 HE1 TYR B 82 12.922 -3.950 12.201 1.00 0.00 H new ATOM 0 HE2 TYR B 82 13.975 -8.082 12.191 1.00 0.00 H new ATOM 0 HH TYR B 82 14.496 -6.692 13.844 1.00 0.00 H new ATOM 2858 N GLY B 83 14.781 -6.343 8.072 1.00 0.00 N ATOM 2859 CA GLY B 83 16.012 -7.043 8.397 1.00 0.00 C ATOM 2860 C GLY B 83 16.765 -7.573 7.198 1.00 0.00 C ATOM 2861 O GLY B 83 17.406 -8.647 7.289 1.00 0.00 O ATOM 0 H GLY B 83 14.786 -5.356 8.331 1.00 0.00 H new ATOM 0 HA2 GLY B 83 16.664 -6.368 8.951 1.00 0.00 H new ATOM 0 HA3 GLY B 83 15.778 -7.875 9.061 1.00 0.00 H new ATOM 2865 N LEU B 84 16.781 -6.867 6.096 1.00 0.00 N ATOM 2866 CA LEU B 84 17.494 -7.209 4.895 1.00 0.00 C ATOM 2867 C LEU B 84 19.002 -7.314 5.131 1.00 0.00 C ATOM 2868 O LEU B 84 19.583 -6.546 5.907 1.00 0.00 O ATOM 2869 CB LEU B 84 17.265 -6.141 3.816 1.00 0.00 C ATOM 2870 CG LEU B 84 16.113 -6.316 2.856 1.00 0.00 C ATOM 2871 CD1 LEU B 84 16.061 -5.121 1.880 1.00 0.00 C ATOM 2872 CD2 LEU B 84 16.250 -7.605 2.042 1.00 0.00 C ATOM 0 H LEU B 84 16.268 -5.990 6.010 1.00 0.00 H new ATOM 0 HA LEU B 84 17.112 -8.178 4.574 1.00 0.00 H new ATOM 0 HB2 LEU B 84 17.132 -5.184 4.321 1.00 0.00 H new ATOM 0 HB3 LEU B 84 18.178 -6.066 3.226 1.00 0.00 H new ATOM 0 HG LEU B 84 15.198 -6.369 3.446 1.00 0.00 H new ATOM 0 HD11 LEU B 84 15.228 -5.252 1.189 1.00 0.00 H new ATOM 0 HD12 LEU B 84 15.924 -4.197 2.443 1.00 0.00 H new ATOM 0 HD13 LEU B 84 16.994 -5.069 1.318 1.00 0.00 H new ATOM 0 HD21 LEU B 84 15.403 -7.698 1.362 1.00 0.00 H new ATOM 0 HD22 LEU B 84 17.176 -7.576 1.467 1.00 0.00 H new ATOM 0 HD23 LEU B 84 16.269 -8.461 2.717 1.00 0.00 H new ATOM 2884 N THR B 85 19.624 -8.312 4.542 1.00 0.00 N ATOM 2885 CA THR B 85 21.064 -8.494 4.621 1.00 0.00 C ATOM 2886 C THR B 85 21.596 -8.637 3.179 1.00 0.00 C ATOM 2887 O THR B 85 20.804 -8.718 2.249 1.00 0.00 O ATOM 2888 CB THR B 85 21.457 -9.808 5.353 1.00 0.00 C ATOM 2889 OG1 THR B 85 21.033 -10.909 4.539 1.00 0.00 O ATOM 2890 CG2 THR B 85 20.808 -9.902 6.715 1.00 0.00 C ATOM 0 H THR B 85 19.146 -9.025 3.991 1.00 0.00 H new ATOM 0 HA THR B 85 21.476 -7.643 5.163 1.00 0.00 H new ATOM 0 HB THR B 85 22.536 -9.824 5.505 1.00 0.00 H new ATOM 0 HG1 THR B 85 20.124 -10.743 4.212 1.00 0.00 H new ATOM 0 HG21 THR B 85 21.106 -10.833 7.196 1.00 0.00 H new ATOM 0 HG22 THR B 85 21.126 -9.059 7.328 1.00 0.00 H new ATOM 0 HG23 THR B 85 19.724 -9.882 6.604 1.00 0.00 H new ATOM 2898 N ASP B 86 22.904 -8.766 3.059 1.00 0.00 N ATOM 2899 CA ASP B 86 23.539 -8.999 1.770 1.00 0.00 C ATOM 2900 C ASP B 86 23.350 -10.445 1.303 1.00 0.00 C ATOM 2901 O ASP B 86 23.763 -10.796 0.197 1.00 0.00 O ATOM 2902 CB ASP B 86 25.049 -8.719 1.872 1.00 0.00 C ATOM 2903 CG ASP B 86 25.367 -7.244 1.953 1.00 0.00 C ATOM 2904 OD1 ASP B 86 24.445 -6.415 1.786 1.00 0.00 O ATOM 2905 OD2 ASP B 86 26.558 -6.918 2.168 1.00 0.00 O ATOM 0 H ASP B 86 23.554 -8.713 3.843 1.00 0.00 H new ATOM 0 HA ASP B 86 23.070 -8.328 1.050 1.00 0.00 H new ATOM 0 HB2 ASP B 86 25.448 -9.221 2.753 1.00 0.00 H new ATOM 0 HB3 ASP B 86 25.553 -9.148 1.006 1.00 0.00 H new ATOM 2910 N ARG B 87 22.752 -11.276 2.142 1.00 0.00 N ATOM 2911 CA ARG B 87 22.524 -12.684 1.775 1.00 0.00 C ATOM 2912 C ARG B 87 21.041 -13.031 1.828 1.00 0.00 C ATOM 2913 O ARG B 87 20.684 -14.187 2.065 1.00 0.00 O ATOM 2914 CB ARG B 87 23.317 -13.586 2.734 1.00 0.00 C ATOM 2915 CG ARG B 87 24.836 -13.461 2.551 1.00 0.00 C ATOM 2916 CD ARG B 87 25.562 -13.927 3.820 1.00 0.00 C ATOM 2917 NE ARG B 87 25.305 -13.004 4.927 1.00 0.00 N ATOM 2918 CZ ARG B 87 24.692 -13.361 6.048 1.00 0.00 C ATOM 2919 NH1 ARG B 87 24.271 -14.605 6.219 1.00 0.00 N ATOM 2920 NH2 ARG B 87 24.491 -12.469 7.010 1.00 0.00 N ATOM 0 H ARG B 87 22.417 -11.016 3.070 1.00 0.00 H new ATOM 0 HA ARG B 87 22.865 -12.843 0.752 1.00 0.00 H new ATOM 0 HB2 ARG B 87 23.058 -13.332 3.762 1.00 0.00 H new ATOM 0 HB3 ARG B 87 23.021 -14.623 2.578 1.00 0.00 H new ATOM 0 HG2 ARG B 87 25.158 -14.059 1.699 1.00 0.00 H new ATOM 0 HG3 ARG B 87 25.099 -12.426 2.332 1.00 0.00 H new ATOM 0 HD2 ARG B 87 25.228 -14.929 4.090 1.00 0.00 H new ATOM 0 HD3 ARG B 87 26.634 -13.988 3.631 1.00 0.00 H new ATOM 0 HE ARG B 87 25.613 -12.036 4.831 1.00 0.00 H new ATOM 0 HH11 ARG B 87 24.417 -15.298 5.485 1.00 0.00 H new ATOM 0 HH12 ARG B 87 23.801 -14.870 7.085 1.00 0.00 H new ATOM 0 HH21 ARG B 87 24.808 -11.507 6.888 1.00 0.00 H new ATOM 0 HH22 ARG B 87 24.019 -12.745 7.871 1.00 0.00 H new ATOM 2934 N SER B 88 20.182 -12.057 1.555 1.00 0.00 N ATOM 2935 CA SER B 88 18.743 -12.216 1.665 1.00 0.00 C ATOM 2936 C SER B 88 18.073 -12.576 0.347 1.00 0.00 C ATOM 2937 O SER B 88 18.394 -11.982 -0.697 1.00 0.00 O ATOM 2938 CB SER B 88 18.126 -10.878 2.154 1.00 0.00 C ATOM 2939 OG SER B 88 18.476 -10.620 3.513 1.00 0.00 O ATOM 0 H SER B 88 20.470 -11.128 1.249 1.00 0.00 H new ATOM 0 HA SER B 88 18.572 -13.035 2.364 1.00 0.00 H new ATOM 0 HB2 SER B 88 18.475 -10.060 1.523 1.00 0.00 H new ATOM 0 HB3 SER B 88 17.041 -10.916 2.055 1.00 0.00 H new ATOM 0 HG SER B 88 17.664 -10.443 4.032 1.00 0.00 H new ATOM 2945 N ARG B 89 17.105 -13.483 0.372 1.00 0.00 N ATOM 2946 CA ARG B 89 16.280 -13.804 -0.780 1.00 0.00 C ATOM 2947 C ARG B 89 14.854 -14.111 -0.280 1.00 0.00 C ATOM 2948 O ARG B 89 14.663 -14.404 0.907 1.00 0.00 O ATOM 2949 CB ARG B 89 16.751 -15.019 -1.577 1.00 0.00 C ATOM 2950 CG ARG B 89 18.042 -14.916 -2.338 1.00 0.00 C ATOM 2951 CD ARG B 89 18.027 -13.830 -3.393 1.00 0.00 C ATOM 2952 NE ARG B 89 17.132 -14.202 -4.509 1.00 0.00 N ATOM 2953 CZ ARG B 89 17.538 -14.963 -5.535 1.00 0.00 C ATOM 2954 NH1 ARG B 89 18.791 -15.372 -5.606 1.00 0.00 N ATOM 2955 NH2 ARG B 89 16.681 -15.245 -6.512 1.00 0.00 N ATOM 0 H ARG B 89 16.870 -14.022 1.205 1.00 0.00 H new ATOM 0 HA ARG B 89 16.334 -12.941 -1.444 1.00 0.00 H new ATOM 0 HB2 ARG B 89 16.839 -15.856 -0.885 1.00 0.00 H new ATOM 0 HB3 ARG B 89 15.966 -15.275 -2.288 1.00 0.00 H new ATOM 0 HG2 ARG B 89 18.855 -14.722 -1.638 1.00 0.00 H new ATOM 0 HG3 ARG B 89 18.253 -15.873 -2.814 1.00 0.00 H new ATOM 0 HD2 ARG B 89 17.695 -12.891 -2.951 1.00 0.00 H new ATOM 0 HD3 ARG B 89 19.037 -13.666 -3.769 1.00 0.00 H new ATOM 0 HE ARG B 89 16.169 -13.867 -4.498 1.00 0.00 H new ATOM 0 HH11 ARG B 89 19.455 -15.109 -4.878 1.00 0.00 H new ATOM 0 HH12 ARG B 89 19.095 -15.951 -6.389 1.00 0.00 H new ATOM 0 HH21 ARG B 89 15.728 -14.883 -6.475 1.00 0.00 H new ATOM 0 HH22 ARG B 89 16.977 -15.823 -7.299 1.00 0.00 H new ATOM 2969 N LEU B 90 13.883 -14.056 -1.188 1.00 0.00 N ATOM 2970 CA LEU B 90 12.539 -14.523 -0.831 1.00 0.00 C ATOM 2971 C LEU B 90 12.490 -16.035 -1.001 1.00 0.00 C ATOM 2972 O LEU B 90 12.689 -16.565 -2.108 1.00 0.00 O ATOM 2973 CB LEU B 90 11.465 -13.819 -1.634 1.00 0.00 C ATOM 2974 CG LEU B 90 11.410 -12.293 -1.511 1.00 0.00 C ATOM 2975 CD1 LEU B 90 10.282 -11.735 -2.375 1.00 0.00 C ATOM 2976 CD2 LEU B 90 11.217 -11.861 -0.057 1.00 0.00 C ATOM 0 H LEU B 90 13.989 -13.708 -2.141 1.00 0.00 H new ATOM 0 HA LEU B 90 12.333 -14.276 0.210 1.00 0.00 H new ATOM 0 HB2 LEU B 90 11.604 -14.072 -2.685 1.00 0.00 H new ATOM 0 HB3 LEU B 90 10.497 -14.221 -1.335 1.00 0.00 H new ATOM 0 HG LEU B 90 12.362 -11.893 -1.861 1.00 0.00 H new ATOM 0 HD11 LEU B 90 10.253 -10.650 -2.279 1.00 0.00 H new ATOM 0 HD12 LEU B 90 10.456 -12.003 -3.417 1.00 0.00 H new ATOM 0 HD13 LEU B 90 9.331 -12.154 -2.046 1.00 0.00 H new ATOM 0 HD21 LEU B 90 11.182 -10.773 -0.002 1.00 0.00 H new ATOM 0 HD22 LEU B 90 10.283 -12.274 0.324 1.00 0.00 H new ATOM 0 HD23 LEU B 90 12.048 -12.228 0.545 1.00 0.00 H new ATOM 2988 N GLY B 91 12.262 -16.752 0.097 1.00 0.00 N ATOM 2989 CA GLY B 91 12.320 -18.192 0.087 1.00 0.00 C ATOM 2990 C GLY B 91 11.419 -18.877 -0.888 1.00 0.00 C ATOM 2991 O GLY B 91 11.697 -20.027 -1.302 1.00 0.00 O ATOM 0 H GLY B 91 12.035 -16.346 1.005 1.00 0.00 H new ATOM 0 HA2 GLY B 91 13.346 -18.493 -0.124 1.00 0.00 H new ATOM 0 HA3 GLY B 91 12.081 -18.552 1.088 1.00 0.00 H new ATOM 2995 N CYS B 92 10.239 -18.304 -1.217 1.00 0.00 N ATOM 2996 CA CYS B 92 9.336 -18.979 -2.140 1.00 0.00 C ATOM 2997 C CYS B 92 9.914 -19.063 -3.544 1.00 0.00 C ATOM 2998 O CYS B 92 9.399 -19.854 -4.359 1.00 0.00 O ATOM 2999 CB CYS B 92 7.951 -18.337 -2.175 1.00 0.00 C ATOM 3000 SG CYS B 92 7.911 -16.664 -2.791 1.00 0.00 S ATOM 0 H CYS B 92 9.909 -17.406 -0.864 1.00 0.00 H new ATOM 0 HA CYS B 92 9.222 -19.993 -1.757 1.00 0.00 H new ATOM 0 HB2 CYS B 92 7.298 -18.952 -2.794 1.00 0.00 H new ATOM 0 HB3 CYS B 92 7.537 -18.347 -1.167 1.00 0.00 H new ATOM 3005 N GLN B 93 10.978 -18.342 -3.830 1.00 0.00 N ATOM 3006 CA GLN B 93 11.632 -18.363 -5.116 1.00 0.00 C ATOM 3007 C GLN B 93 12.847 -19.285 -5.142 1.00 0.00 C ATOM 3008 O GLN B 93 13.473 -19.410 -6.193 1.00 0.00 O ATOM 3009 CB GLN B 93 12.064 -16.958 -5.547 1.00 0.00 C ATOM 3010 CG GLN B 93 10.930 -15.934 -5.594 1.00 0.00 C ATOM 3011 CD GLN B 93 9.855 -16.339 -6.598 1.00 0.00 C ATOM 3012 OE1 GLN B 93 10.124 -16.414 -7.796 1.00 0.00 O ATOM 3013 NE2 GLN B 93 8.677 -16.669 -6.100 1.00 0.00 N ATOM 0 H GLN B 93 11.419 -17.713 -3.159 1.00 0.00 H new ATOM 0 HA GLN B 93 10.893 -18.750 -5.817 1.00 0.00 H new ATOM 0 HB2 GLN B 93 12.831 -16.601 -4.860 1.00 0.00 H new ATOM 0 HB3 GLN B 93 12.523 -17.019 -6.534 1.00 0.00 H new ATOM 0 HG2 GLN B 93 10.486 -15.835 -4.603 1.00 0.00 H new ATOM 0 HG3 GLN B 93 11.331 -14.957 -5.863 1.00 0.00 H new ATOM 0 HE21 GLN B 93 8.506 -16.588 -5.098 1.00 0.00 H new ATOM 0 HE22 GLN B 93 7.938 -17.005 -6.718 1.00 0.00 H new ATOM 3022 N ILE B 94 13.260 -19.800 -3.987 1.00 0.00 N ATOM 3023 CA ILE B 94 14.499 -20.591 -3.935 1.00 0.00 C ATOM 3024 C ILE B 94 14.159 -22.070 -3.776 1.00 0.00 C ATOM 3025 O ILE B 94 13.497 -22.431 -2.815 1.00 0.00 O ATOM 3026 CB ILE B 94 15.390 -20.162 -2.759 1.00 0.00 C ATOM 3027 CG1 ILE B 94 15.742 -18.702 -2.782 1.00 0.00 C ATOM 3028 CG2 ILE B 94 16.651 -21.047 -2.708 1.00 0.00 C ATOM 3029 CD1 ILE B 94 16.200 -18.075 -4.041 1.00 0.00 C ATOM 0 H ILE B 94 12.776 -19.692 -3.096 1.00 0.00 H new ATOM 0 HA ILE B 94 15.040 -20.421 -4.866 1.00 0.00 H new ATOM 0 HB ILE B 94 14.813 -20.307 -1.846 1.00 0.00 H new ATOM 0 HG12 ILE B 94 14.864 -18.151 -2.445 1.00 0.00 H new ATOM 0 HG13 ILE B 94 16.523 -18.544 -2.038 1.00 0.00 H new ATOM 0 HG21 ILE B 94 17.279 -20.738 -1.872 1.00 0.00 H new ATOM 0 HG22 ILE B 94 16.359 -22.089 -2.577 1.00 0.00 H new ATOM 0 HG23 ILE B 94 17.208 -20.941 -3.639 1.00 0.00 H new ATOM 0 HD11 ILE B 94 16.408 -17.019 -3.867 1.00 0.00 H new ATOM 0 HD12 ILE B 94 17.107 -18.571 -4.386 1.00 0.00 H new ATOM 0 HD13 ILE B 94 15.423 -18.172 -4.799 1.00 0.00 H new ATOM 3041 N SER B 95 14.590 -22.882 -4.739 1.00 0.00 N ATOM 3042 CA SER B 95 14.313 -24.314 -4.692 1.00 0.00 C ATOM 3043 C SER B 95 15.562 -25.111 -4.310 1.00 0.00 C ATOM 3044 O SER B 95 16.682 -24.718 -4.625 1.00 0.00 O ATOM 3045 CB SER B 95 13.837 -24.794 -6.060 1.00 0.00 C ATOM 3046 OG SER B 95 13.545 -26.191 -6.000 1.00 0.00 O ATOM 0 H SER B 95 15.126 -22.577 -5.552 1.00 0.00 H new ATOM 0 HA SER B 95 13.542 -24.476 -3.938 1.00 0.00 H new ATOM 0 HB2 SER B 95 12.949 -24.239 -6.363 1.00 0.00 H new ATOM 0 HB3 SER B 95 14.604 -24.604 -6.811 1.00 0.00 H new ATOM 0 HG SER B 95 12.734 -26.378 -6.518 1.00 0.00 H new ATOM 3052 N LEU B 96 15.345 -26.203 -3.598 1.00 0.00 N ATOM 3053 CA LEU B 96 16.397 -27.001 -3.026 1.00 0.00 C ATOM 3054 C LEU B 96 17.316 -27.625 -4.052 1.00 0.00 C ATOM 3055 O LEU B 96 16.890 -28.115 -5.105 1.00 0.00 O ATOM 3056 CB LEU B 96 15.815 -28.074 -2.091 1.00 0.00 C ATOM 3057 CG LEU B 96 15.084 -27.547 -0.860 1.00 0.00 C ATOM 3058 CD1 LEU B 96 14.673 -28.657 0.080 1.00 0.00 C ATOM 3059 CD2 LEU B 96 15.945 -26.522 -0.109 1.00 0.00 C ATOM 0 H LEU B 96 14.410 -26.561 -3.402 1.00 0.00 H new ATOM 0 HA LEU B 96 17.016 -26.315 -2.448 1.00 0.00 H new ATOM 0 HB2 LEU B 96 15.125 -28.694 -2.663 1.00 0.00 H new ATOM 0 HB3 LEU B 96 16.627 -28.722 -1.760 1.00 0.00 H new ATOM 0 HG LEU B 96 14.177 -27.061 -1.219 1.00 0.00 H new ATOM 0 HD11 LEU B 96 14.156 -28.232 0.941 1.00 0.00 H new ATOM 0 HD12 LEU B 96 14.007 -29.346 -0.440 1.00 0.00 H new ATOM 0 HD13 LEU B 96 15.559 -29.195 0.418 1.00 0.00 H new ATOM 0 HD21 LEU B 96 15.402 -26.161 0.765 1.00 0.00 H new ATOM 0 HD22 LEU B 96 16.875 -26.992 0.211 1.00 0.00 H new ATOM 0 HD23 LEU B 96 16.170 -25.684 -0.768 1.00 0.00 H new ATOM 3071 N THR B 97 18.620 -27.552 -3.786 1.00 0.00 N ATOM 3072 CA THR B 97 19.618 -28.186 -4.653 1.00 0.00 C ATOM 3073 C THR B 97 20.509 -29.083 -3.789 1.00 0.00 C ATOM 3074 O THR B 97 20.514 -28.956 -2.559 1.00 0.00 O ATOM 3075 CB THR B 97 20.475 -27.191 -5.417 1.00 0.00 C ATOM 3076 OG1 THR B 97 21.298 -26.437 -4.507 1.00 0.00 O ATOM 3077 CG2 THR B 97 19.686 -26.247 -6.289 1.00 0.00 C ATOM 0 H THR B 97 19.011 -27.063 -2.981 1.00 0.00 H new ATOM 0 HA THR B 97 19.082 -28.764 -5.405 1.00 0.00 H new ATOM 0 HB THR B 97 21.096 -27.786 -6.087 1.00 0.00 H new ATOM 0 HG1 THR B 97 21.846 -25.801 -5.012 1.00 0.00 H new ATOM 0 HG21 THR B 97 20.368 -25.568 -6.801 1.00 0.00 H new ATOM 0 HG22 THR B 97 19.121 -26.818 -7.026 1.00 0.00 H new ATOM 0 HG23 THR B 97 18.997 -25.671 -5.671 1.00 0.00 H new ATOM 3085 N LYS B 98 21.305 -29.934 -4.430 1.00 0.00 N ATOM 3086 CA LYS B 98 22.225 -30.811 -3.730 1.00 0.00 C ATOM 3087 C LYS B 98 23.112 -30.047 -2.757 1.00 0.00 C ATOM 3088 O LYS B 98 23.322 -30.471 -1.619 1.00 0.00 O ATOM 3089 CB LYS B 98 23.131 -31.555 -4.733 1.00 0.00 C ATOM 3090 CG LYS B 98 22.695 -32.971 -5.053 1.00 0.00 C ATOM 3091 CD LYS B 98 23.738 -33.679 -5.921 1.00 0.00 C ATOM 3092 CE LYS B 98 23.125 -34.857 -6.658 1.00 0.00 C ATOM 3093 NZ LYS B 98 23.382 -36.148 -5.955 1.00 0.00 N ATOM 0 H LYS B 98 21.327 -30.031 -5.445 1.00 0.00 H new ATOM 0 HA LYS B 98 21.616 -31.520 -3.169 1.00 0.00 H new ATOM 0 HB2 LYS B 98 23.169 -30.983 -5.660 1.00 0.00 H new ATOM 0 HB3 LYS B 98 24.145 -31.583 -4.334 1.00 0.00 H new ATOM 0 HG2 LYS B 98 22.547 -33.528 -4.128 1.00 0.00 H new ATOM 0 HG3 LYS B 98 21.736 -32.953 -5.571 1.00 0.00 H new ATOM 0 HD2 LYS B 98 24.157 -32.974 -6.639 1.00 0.00 H new ATOM 0 HD3 LYS B 98 24.562 -34.025 -5.296 1.00 0.00 H new ATOM 0 HE2 LYS B 98 22.050 -34.705 -6.756 1.00 0.00 H new ATOM 0 HE3 LYS B 98 23.533 -34.906 -7.668 1.00 0.00 H new ATOM 0 HZ1 LYS B 98 22.947 -36.927 -6.490 1.00 0.00 H new ATOM 0 HZ2 LYS B 98 24.407 -36.306 -5.884 1.00 0.00 H new ATOM 0 HZ3 LYS B 98 22.970 -36.111 -5.001 1.00 0.00 H new ATOM 3107 N ALA B 99 23.663 -28.920 -3.214 1.00 0.00 N ATOM 3108 CA ALA B 99 24.588 -28.138 -2.429 1.00 0.00 C ATOM 3109 C ALA B 99 24.007 -27.595 -1.145 1.00 0.00 C ATOM 3110 O ALA B 99 24.765 -27.241 -0.234 1.00 0.00 O ATOM 3111 CB ALA B 99 25.219 -27.025 -3.260 1.00 0.00 C ATOM 0 H ALA B 99 23.473 -28.534 -4.139 1.00 0.00 H new ATOM 0 HA ALA B 99 25.368 -28.836 -2.125 1.00 0.00 H new ATOM 0 HB1 ALA B 99 25.910 -26.455 -2.639 1.00 0.00 H new ATOM 0 HB2 ALA B 99 25.760 -27.460 -4.100 1.00 0.00 H new ATOM 0 HB3 ALA B 99 24.438 -26.363 -3.635 1.00 0.00 H new ATOM 3117 N MET B 100 22.685 -27.595 -0.992 1.00 0.00 N ATOM 3118 CA MET B 100 22.024 -27.105 0.190 1.00 0.00 C ATOM 3119 C MET B 100 21.816 -28.120 1.282 1.00 0.00 C ATOM 3120 O MET B 100 21.245 -27.809 2.338 1.00 0.00 O ATOM 3121 CB MET B 100 20.639 -26.510 -0.181 1.00 0.00 C ATOM 3122 CG MET B 100 20.765 -25.480 -1.291 1.00 0.00 C ATOM 3123 SD MET B 100 19.138 -24.759 -1.664 1.00 0.00 S ATOM 3124 CE MET B 100 19.615 -23.563 -2.908 1.00 0.00 C ATOM 0 H MET B 100 22.043 -27.943 -1.704 1.00 0.00 H new ATOM 0 HA MET B 100 22.705 -26.353 0.588 1.00 0.00 H new ATOM 0 HB2 MET B 100 19.969 -27.310 -0.497 1.00 0.00 H new ATOM 0 HB3 MET B 100 20.191 -26.048 0.699 1.00 0.00 H new ATOM 0 HG2 MET B 100 21.459 -24.695 -0.992 1.00 0.00 H new ATOM 0 HG3 MET B 100 21.178 -25.947 -2.185 1.00 0.00 H new ATOM 0 HE1 MET B 100 19.016 -22.659 -2.792 1.00 0.00 H new ATOM 0 HE2 MET B 100 20.670 -23.317 -2.790 1.00 0.00 H new ATOM 0 HE3 MET B 100 19.449 -23.984 -3.900 1.00 0.00 H new ATOM 3134 N ASP B 101 22.238 -29.373 1.048 1.00 0.00 N ATOM 3135 CA ASP B 101 22.102 -30.362 2.125 1.00 0.00 C ATOM 3136 C ASP B 101 22.787 -29.824 3.376 1.00 0.00 C ATOM 3137 O ASP B 101 23.961 -29.428 3.325 1.00 0.00 O ATOM 3138 CB ASP B 101 22.679 -31.706 1.722 1.00 0.00 C ATOM 3139 CG ASP B 101 22.012 -32.867 2.433 1.00 0.00 C ATOM 3140 OD1 ASP B 101 21.130 -32.627 3.286 1.00 0.00 O ATOM 3141 OD2 ASP B 101 22.354 -34.025 2.123 1.00 0.00 O ATOM 0 H ASP B 101 22.651 -29.710 0.179 1.00 0.00 H new ATOM 0 HA ASP B 101 21.044 -30.523 2.330 1.00 0.00 H new ATOM 0 HB2 ASP B 101 22.571 -31.835 0.645 1.00 0.00 H new ATOM 0 HB3 ASP B 101 23.747 -31.718 1.939 1.00 0.00 H new ATOM 3146 N ASN B 102 22.112 -29.866 4.503 1.00 0.00 N ATOM 3147 CA ASN B 102 22.589 -29.449 5.779 1.00 0.00 C ATOM 3148 C ASN B 102 22.778 -27.949 5.938 1.00 0.00 C ATOM 3149 O ASN B 102 23.340 -27.519 6.967 1.00 0.00 O ATOM 3150 CB ASN B 102 23.922 -30.152 6.156 1.00 0.00 C ATOM 3151 CG ASN B 102 23.815 -31.666 5.992 1.00 0.00 C ATOM 3152 OD1 ASN B 102 22.915 -32.293 6.527 1.00 0.00 O ATOM 3153 ND2 ASN B 102 24.722 -32.205 5.181 1.00 0.00 N ATOM 0 H ASN B 102 21.155 -30.217 4.542 1.00 0.00 H new ATOM 0 HA ASN B 102 21.789 -29.747 6.457 1.00 0.00 H new ATOM 0 HB2 ASN B 102 24.727 -29.772 5.527 1.00 0.00 H new ATOM 0 HB3 ASN B 102 24.183 -29.913 7.187 1.00 0.00 H new ATOM 0 HD21 ASN B 102 24.691 -33.203 4.973 1.00 0.00 H new ATOM 0 HD22 ASN B 102 25.448 -31.620 4.768 1.00 0.00 H new ATOM 3160 N MET B 103 22.352 -27.145 4.979 1.00 0.00 N ATOM 3161 CA MET B 103 22.515 -25.692 5.114 1.00 0.00 C ATOM 3162 C MET B 103 21.670 -25.151 6.265 1.00 0.00 C ATOM 3163 O MET B 103 20.694 -25.743 6.689 1.00 0.00 O ATOM 3164 CB MET B 103 22.165 -24.975 3.828 1.00 0.00 C ATOM 3165 CG MET B 103 20.658 -24.728 3.626 1.00 0.00 C ATOM 3166 SD MET B 103 20.395 -23.748 2.134 1.00 0.00 S ATOM 3167 CE MET B 103 18.605 -23.889 1.954 1.00 0.00 C ATOM 0 H MET B 103 21.901 -27.454 4.117 1.00 0.00 H new ATOM 0 HA MET B 103 23.566 -25.503 5.334 1.00 0.00 H new ATOM 0 HB2 MET B 103 22.684 -24.016 3.808 1.00 0.00 H new ATOM 0 HB3 MET B 103 22.541 -25.558 2.987 1.00 0.00 H new ATOM 0 HG2 MET B 103 20.132 -25.679 3.545 1.00 0.00 H new ATOM 0 HG3 MET B 103 20.246 -24.208 4.491 1.00 0.00 H new ATOM 0 HE1 MET B 103 18.285 -23.349 1.063 1.00 0.00 H new ATOM 0 HE2 MET B 103 18.330 -24.940 1.860 1.00 0.00 H new ATOM 0 HE3 MET B 103 18.117 -23.463 2.830 1.00 0.00 H new ATOM 3177 N THR B 104 21.999 -23.918 6.676 1.00 0.00 N ATOM 3178 CA THR B 104 21.177 -23.224 7.673 1.00 0.00 C ATOM 3179 C THR B 104 20.698 -21.896 7.086 1.00 0.00 C ATOM 3180 O THR B 104 21.477 -21.162 6.519 1.00 0.00 O ATOM 3181 CB THR B 104 21.989 -22.958 8.955 1.00 0.00 C ATOM 3182 OG1 THR B 104 22.347 -24.227 9.534 1.00 0.00 O ATOM 3183 CG2 THR B 104 21.202 -22.141 9.953 1.00 0.00 C ATOM 0 H THR B 104 22.808 -23.393 6.343 1.00 0.00 H new ATOM 0 HA THR B 104 20.323 -23.851 7.929 1.00 0.00 H new ATOM 0 HB THR B 104 22.880 -22.386 8.698 1.00 0.00 H new ATOM 0 HG1 THR B 104 22.867 -24.079 10.351 1.00 0.00 H new ATOM 0 HG21 THR B 104 21.807 -21.974 10.844 1.00 0.00 H new ATOM 0 HG22 THR B 104 20.937 -21.181 9.509 1.00 0.00 H new ATOM 0 HG23 THR B 104 20.294 -22.678 10.227 1.00 0.00 H new ATOM 3191 N VAL B 105 19.405 -21.596 7.267 1.00 0.00 N ATOM 3192 CA VAL B 105 18.857 -20.314 6.891 1.00 0.00 C ATOM 3193 C VAL B 105 18.333 -19.613 8.159 1.00 0.00 C ATOM 3194 O VAL B 105 17.975 -20.296 9.106 1.00 0.00 O ATOM 3195 CB VAL B 105 17.735 -20.359 5.860 1.00 0.00 C ATOM 3196 CG1 VAL B 105 18.224 -20.857 4.506 1.00 0.00 C ATOM 3197 CG2 VAL B 105 16.537 -21.181 6.328 1.00 0.00 C ATOM 0 H VAL B 105 18.726 -22.238 7.676 1.00 0.00 H new ATOM 0 HA VAL B 105 19.674 -19.772 6.414 1.00 0.00 H new ATOM 0 HB VAL B 105 17.399 -19.328 5.744 1.00 0.00 H new ATOM 0 HG11 VAL B 105 17.392 -20.873 3.802 1.00 0.00 H new ATOM 0 HG12 VAL B 105 19.002 -20.191 4.133 1.00 0.00 H new ATOM 0 HG13 VAL B 105 18.628 -21.864 4.613 1.00 0.00 H new ATOM 0 HG21 VAL B 105 15.769 -21.178 5.554 1.00 0.00 H new ATOM 0 HG22 VAL B 105 16.853 -22.206 6.522 1.00 0.00 H new ATOM 0 HG23 VAL B 105 16.132 -20.747 7.242 1.00 0.00 H new ATOM 3207 N ARG B 106 18.308 -18.281 8.129 1.00 0.00 N ATOM 3208 CA ARG B 106 17.833 -17.522 9.270 1.00 0.00 C ATOM 3209 C ARG B 106 16.584 -16.727 8.932 1.00 0.00 C ATOM 3210 O ARG B 106 16.507 -16.061 7.895 1.00 0.00 O ATOM 3211 CB ARG B 106 18.926 -16.562 9.798 1.00 0.00 C ATOM 3212 CG ARG B 106 18.410 -15.721 10.994 1.00 0.00 C ATOM 3213 CD ARG B 106 19.486 -14.796 11.489 1.00 0.00 C ATOM 3214 NE ARG B 106 20.663 -15.467 12.009 1.00 0.00 N ATOM 3215 CZ ARG B 106 20.750 -16.010 13.224 1.00 0.00 C ATOM 3216 NH1 ARG B 106 19.717 -15.999 14.053 1.00 0.00 N ATOM 3217 NH2 ARG B 106 21.888 -16.578 13.620 1.00 0.00 N ATOM 0 H ARG B 106 18.609 -17.717 7.334 1.00 0.00 H new ATOM 0 HA ARG B 106 17.587 -18.245 10.048 1.00 0.00 H new ATOM 0 HB2 ARG B 106 19.800 -17.137 10.105 1.00 0.00 H new ATOM 0 HB3 ARG B 106 19.247 -15.898 8.996 1.00 0.00 H new ATOM 0 HG2 ARG B 106 17.537 -15.143 10.690 1.00 0.00 H new ATOM 0 HG3 ARG B 106 18.091 -16.382 11.800 1.00 0.00 H new ATOM 0 HD2 ARG B 106 19.788 -14.140 10.672 1.00 0.00 H new ATOM 0 HD3 ARG B 106 19.070 -14.161 12.271 1.00 0.00 H new ATOM 0 HE ARG B 106 21.481 -15.528 11.403 1.00 0.00 H new ATOM 0 HH11 ARG B 106 18.837 -15.571 13.766 1.00 0.00 H new ATOM 0 HH12 ARG B 106 19.801 -16.419 14.979 1.00 0.00 H new ATOM 0 HH21 ARG B 106 22.693 -16.598 12.994 1.00 0.00 H new ATOM 0 HH22 ARG B 106 21.954 -16.993 14.549 1.00 0.00 H new ATOM 3231 N VAL B 107 15.594 -16.814 9.821 1.00 0.00 N ATOM 3232 CA VAL B 107 14.387 -16.028 9.723 1.00 0.00 C ATOM 3233 C VAL B 107 14.595 -14.740 10.551 1.00 0.00 C ATOM 3234 O VAL B 107 14.836 -14.738 11.705 1.00 0.00 O ATOM 3235 CB VAL B 107 13.143 -16.743 10.235 1.00 0.00 C ATOM 3236 CG1 VAL B 107 11.902 -15.877 10.029 1.00 0.00 C ATOM 3237 CG2 VAL B 107 12.954 -18.115 9.601 1.00 0.00 C ATOM 0 H VAL B 107 15.617 -17.437 10.628 1.00 0.00 H new ATOM 0 HA VAL B 107 14.214 -15.825 8.666 1.00 0.00 H new ATOM 0 HB VAL B 107 13.288 -16.906 11.303 1.00 0.00 H new ATOM 0 HG11 VAL B 107 11.024 -16.405 10.401 1.00 0.00 H new ATOM 0 HG12 VAL B 107 12.019 -14.939 10.572 1.00 0.00 H new ATOM 0 HG13 VAL B 107 11.777 -15.668 8.967 1.00 0.00 H new ATOM 0 HG21 VAL B 107 12.053 -18.580 10.002 1.00 0.00 H new ATOM 0 HG22 VAL B 107 12.857 -18.006 8.521 1.00 0.00 H new ATOM 0 HG23 VAL B 107 13.817 -18.742 9.826 1.00 0.00 H new ATOM 3247 N PRO B 108 14.584 -13.616 9.759 1.00 0.00 N ATOM 3248 CA PRO B 108 14.812 -12.331 10.412 1.00 0.00 C ATOM 3249 C PRO B 108 13.623 -11.828 11.187 1.00 0.00 C ATOM 3250 O PRO B 108 12.463 -12.247 10.942 1.00 0.00 O ATOM 3251 CB PRO B 108 15.181 -11.425 9.236 1.00 0.00 C ATOM 3252 CG PRO B 108 14.291 -11.916 8.149 1.00 0.00 C ATOM 3253 CD PRO B 108 14.291 -13.422 8.281 1.00 0.00 C ATOM 3254 OXT PRO B 108 13.827 -11.049 12.157 1.00 0.00 O ATOM 0 HA PRO B 108 15.584 -12.381 11.180 1.00 0.00 H new ATOM 0 HB2 PRO B 108 15.000 -10.374 9.463 1.00 0.00 H new ATOM 0 HB3 PRO B 108 16.234 -11.517 8.969 1.00 0.00 H new ATOM 0 HG2 PRO B 108 13.284 -11.512 8.253 1.00 0.00 H new ATOM 0 HG3 PRO B 108 14.659 -11.607 7.170 1.00 0.00 H new ATOM 0 HD2 PRO B 108 13.332 -13.855 7.996 1.00 0.00 H new ATOM 0 HD3 PRO B 108 15.050 -13.886 7.651 1.00 0.00 H new TER 3262 PRO B 108 HETATM 3263 FE HEC A 104 0.000 0.000 0.000 1.00 0.00 FE HETATM 3264 CHA HEC A 104 2.094 2.528 -0.877 1.00 0.00 C HETATM 3265 CHB HEC A 104 -2.464 2.278 0.522 1.00 0.00 C HETATM 3266 CHC HEC A 104 -2.165 -2.532 0.349 1.00 0.00 C HETATM 3267 CHD HEC A 104 2.555 -2.114 0.085 1.00 0.00 C HETATM 3268 NA HEC A 104 -0.111 1.961 -0.150 1.00 0.00 N HETATM 3269 C1A HEC A 104 0.802 2.877 -0.508 1.00 0.00 C HETATM 3270 C2A HEC A 104 0.198 4.205 -0.773 1.00 0.00 C HETATM 3271 C3A HEC A 104 -1.062 4.103 -0.348 1.00 0.00 C HETATM 3272 C4A HEC A 104 -1.334 2.781 0.011 1.00 0.00 C HETATM 3273 CMA HEC A 104 -2.137 5.255 -0.382 1.00 0.00 C HETATM 3274 CAA HEC A 104 1.028 5.384 -1.191 1.00 0.00 C HETATM 3275 CBA HEC A 104 1.565 6.111 0.084 1.00 0.00 C HETATM 3276 CGA HEC A 104 2.237 7.463 -0.095 1.00 0.00 C HETATM 3277 O1A HEC A 104 2.655 7.954 0.961 1.00 0.00 O HETATM 3278 O2A HEC A 104 2.342 7.976 -1.229 1.00 0.00 O HETATM 3279 NB HEC A 104 -1.964 -0.121 0.378 1.00 0.00 N HETATM 3280 C1B HEC A 104 -2.761 0.946 0.775 1.00 0.00 C HETATM 3281 C2B HEC A 104 -4.075 0.370 1.046 1.00 0.00 C HETATM 3282 C3B HEC A 104 -4.044 -0.982 0.942 1.00 0.00 C HETATM 3283 C4B HEC A 104 -2.677 -1.241 0.573 1.00 0.00 C HETATM 3284 CMB HEC A 104 -5.268 1.261 1.552 1.00 0.00 C HETATM 3285 CAB HEC A 104 -5.087 -2.036 1.202 1.00 0.00 C HETATM 3286 CBB HEC A 104 -6.021 -2.306 0.011 1.00 0.00 C HETATM 3287 NC HEC A 104 0.210 -1.969 0.181 1.00 0.00 N HETATM 3288 C1C HEC A 104 -0.756 -2.921 0.310 1.00 0.00 C HETATM 3289 C2C HEC A 104 -0.339 -4.252 0.512 1.00 0.00 C HETATM 3290 C3C HEC A 104 1.000 -4.142 0.390 1.00 0.00 C HETATM 3291 C4C HEC A 104 1.352 -2.730 0.274 1.00 0.00 C HETATM 3292 CMC HEC A 104 -1.162 -5.490 0.698 1.00 0.00 C HETATM 3293 CAC HEC A 104 2.141 -5.167 0.685 1.00 0.00 C HETATM 3294 CBC HEC A 104 1.944 -6.486 -0.095 1.00 0.00 C HETATM 3295 ND HEC A 104 1.970 0.160 -0.324 1.00 0.00 N HETATM 3296 C1D HEC A 104 2.912 -0.858 -0.241 1.00 0.00 C HETATM 3297 C2D HEC A 104 4.172 -0.362 -0.549 1.00 0.00 C HETATM 3298 C3D HEC A 104 4.044 0.938 -0.855 1.00 0.00 C HETATM 3299 C4D HEC A 104 2.621 1.260 -0.786 1.00 0.00 C HETATM 3300 CMD HEC A 104 5.522 -1.211 -0.627 1.00 0.00 C HETATM 3301 CAD HEC A 104 5.177 1.850 -1.392 1.00 0.00 C HETATM 3302 CBD HEC A 104 5.091 2.071 -2.884 1.00 0.00 C HETATM 3303 CGD HEC A 104 6.317 2.606 -3.601 1.00 0.00 C HETATM 3304 O1D HEC A 104 7.153 3.245 -2.906 1.00 0.00 O HETATM 3305 O2D HEC A 104 6.279 2.497 -4.847 1.00 0.00 O HETATM 0 HMD3 HEC A 104 5.718 -1.672 0.341 1.00 0.00 H new HETATM 0 HMD2 HEC A 104 5.420 -1.987 -1.385 1.00 0.00 H new HETATM 0 HMD1 HEC A 104 6.351 -0.554 -0.890 1.00 0.00 H new HETATM 0 HMC3 HEC A 104 -1.793 -5.379 1.580 1.00 0.00 H new HETATM 0 HMC2 HEC A 104 -1.790 -5.645 -0.180 1.00 0.00 H new HETATM 0 HMC1 HEC A 104 -0.503 -6.349 0.829 1.00 0.00 H new HETATM 0 HMB3 HEC A 104 -4.998 1.726 2.500 1.00 0.00 H new HETATM 0 HMB2 HEC A 104 -5.481 2.036 0.816 1.00 0.00 H new HETATM 0 HMB1 HEC A 104 -6.153 0.640 1.691 1.00 0.00 H new HETATM 0 HMA3 HEC A 104 -1.786 6.098 0.213 1.00 0.00 H new HETATM 0 HMA2 HEC A 104 -2.292 5.578 -1.412 1.00 0.00 H new HETATM 0 HMA1 HEC A 104 -3.077 4.887 0.029 1.00 0.00 H new HETATM 0 HBD2 HEC A 104 4.823 1.121 -3.346 1.00 0.00 H new HETATM 0 HBD1 HEC A 104 4.268 2.761 -3.072 1.00 0.00 H new HETATM 0 HBC3 HEC A 104 0.995 -6.940 0.191 1.00 0.00 H new HETATM 0 HBC2 HEC A 104 1.939 -6.279 -1.165 1.00 0.00 H new HETATM 0 HBC1 HEC A 104 2.759 -7.172 0.138 1.00 0.00 H new HETATM 0 HBB3 HEC A 104 -6.551 -1.390 -0.251 1.00 0.00 H new HETATM 0 HBB2 HEC A 104 -5.433 -2.642 -0.843 1.00 0.00 H new HETATM 0 HBB1 HEC A 104 -6.742 -3.078 0.282 1.00 0.00 H new HETATM 0 HBA2 HEC A 104 0.729 6.242 0.771 1.00 0.00 H new HETATM 0 HBA1 HEC A 104 2.277 5.446 0.572 1.00 0.00 H new HETATM 0 HAD2 HEC A 104 5.134 2.813 -0.883 1.00 0.00 H new HETATM 0 HAD1 HEC A 104 6.142 1.404 -1.150 1.00 0.00 H new HETATM 0 HAA2 HEC A 104 1.860 5.056 -1.815 1.00 0.00 H new HETATM 0 HAA1 HEC A 104 0.431 6.070 -1.791 1.00 0.00 H new HETATM 0 HHD HEC A 104 3.406 -2.780 0.228 1.00 0.00 H new HETATM 0 HHC HEC A 104 -2.895 -3.325 0.188 1.00 0.00 H new HETATM 0 HHB HEC A 104 -3.243 2.999 0.769 1.00 0.00 H new HETATM 0 HHA HEC A 104 2.738 3.316 -1.267 1.00 0.00 H new HETATM 0 H2D HEC A 104 5.387 2.199 -5.122 1.00 0.00 H new HETATM 0 H2A HEC A 104 1.618 7.650 -1.804 1.00 0.00 H new HETATM 3338 FE1 FES B 109 4.997 -14.017 -0.551 1.00 0.00 FE HETATM 3339 FE2 FES B 109 7.228 -15.380 -0.993 1.00 0.00 FE HETATM 3340 S1 FES B 109 6.684 -13.452 -1.842 1.00 0.00 S HETATM 3341 S2 FES B 109 5.445 -16.105 0.005 1.00 0.00 S