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= -0.35 USER MOD Set 1.2: B 100 MET CE :methyl -144:sc=-0.000811 (180deg=-0.214) USER MOD Set 2.1: B 56 HIS : no HE2:sc= -1.79! C(o=3!,f=-7.4!) USER MOD Set 2.2: B 85 THR OG1 : rot -42:sc= 1.58 USER MOD Set 2.3: B 88 SER OG : rot -100:sc= 3.22 USER MOD Set 3.1: B 21 THR OG1 : rot 120:sc= -0.0162 USER MOD Set 3.2: B 36 ASN : amide:sc= -0.293! K(o=-0.31!,f=-0.94) USER MOD Set 4.1: B 10 HIS : no HD1:sc= 0.447 K(o=1.5,f=-4.3!) 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= -3.32! C(o=-3.3!,f=-3.3!) 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= 0.518 K(o=0.52,f=-5.4!) 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= 0.467 USER MOD Single : B 35 GLN : amide:sc= 0 X(o=0,f=-0.002) USER MOD Single : B 37 ASN : amide:sc=-0.00409 X(o=-0.0041,f=-0.082) USER MOD Single : B 49 THR OG1 : rot -12:sc= 0.48 USER MOD Single : B 53 SER OG : rot -134:sc= 0 USER MOD Single : B 54 THR OG1 : rot -70:sc= 1.77 USER MOD Single : B 61 GLN : amide:sc= 0.298 K(o=0.3,f=-0.73) USER MOD Single : B 62 HIS : no HD1:sc= 0.0654 K(o=0.065,f=-0.72) USER MOD Single : B 66 LYS NZ :NH3+ 144:sc= -0.284 (180deg=-1.26!) USER MOD Single : B 71 THR OG1 : rot 180:sc= 0.0745 USER MOD Single : B 75 ASN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : B 77 MET CE :methyl -107:sc= -0.992 (180deg=-2.21) USER MOD Single : B 82 TYR OH : rot 180:sc= 0 USER MOD Single : B 93 GLN : amide:sc= 0.59 K(o=0.59,f=-0.056) USER MOD Single : B 95 SER OG : rot 147:sc= -3.44! USER MOD Single : B 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 102 ASN : amide:sc= -0.0112 X(o=-0.011,f=0) USER MOD Single : B 103 MET CE :methyl -179:sc= 0 (180deg=-0.00191) 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 5.671 -4.362 3.501 1.00 0.00 C ATOM 498 SG CYS A 28 6.113 -4.744 1.765 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 7.582 -3.447 3.839 1.00 0.00 H new ATOM 0 HB2 CYS A 28 5.813 -5.246 4.123 1.00 0.00 H new ATOM 0 HB3 CYS A 28 4.617 -4.093 3.565 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 15.285 -36.828 -0.814 1.00 0.00 N ATOM 1696 CA LYS B 6 14.796 -35.793 0.110 1.00 0.00 C ATOM 1697 C LYS B 6 15.933 -35.271 0.975 1.00 0.00 C ATOM 1698 O LYS B 6 16.953 -35.957 1.156 1.00 0.00 O ATOM 1699 CB LYS B 6 13.659 -36.345 0.964 1.00 0.00 C ATOM 1700 CG LYS B 6 13.687 -37.859 1.138 1.00 0.00 C ATOM 1701 CD LYS B 6 12.742 -38.327 2.234 1.00 0.00 C ATOM 1702 CE LYS B 6 12.915 -39.803 2.530 1.00 0.00 C ATOM 1703 NZ LYS B 6 12.773 -40.106 3.989 1.00 0.00 N ATOM 0 HA LYS B 6 14.408 -34.956 -0.470 1.00 0.00 H new ATOM 0 HB2 LYS B 6 13.698 -35.877 1.947 1.00 0.00 H new ATOM 0 HB3 LYS B 6 12.709 -36.060 0.512 1.00 0.00 H new ATOM 0 HG2 LYS B 6 13.415 -38.337 0.197 1.00 0.00 H new ATOM 0 HG3 LYS B 6 14.702 -38.177 1.375 1.00 0.00 H new ATOM 0 HD2 LYS B 6 12.923 -37.750 3.141 1.00 0.00 H new ATOM 0 HD3 LYS B 6 11.712 -38.134 1.933 1.00 0.00 H new ATOM 0 HE2 LYS B 6 12.176 -40.374 1.968 1.00 0.00 H new ATOM 0 HE3 LYS B 6 13.897 -40.128 2.187 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 12.899 -41.126 4.145 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 13.495 -39.582 4.524 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 11.827 -39.820 4.312 1.00 0.00 H new ATOM 1717 N ILE B 7 15.841 -34.018 1.414 1.00 0.00 N ATOM 1718 CA ILE B 7 16.890 -33.417 2.227 1.00 0.00 C ATOM 1719 C ILE B 7 16.309 -32.759 3.487 1.00 0.00 C ATOM 1720 O ILE B 7 15.173 -32.296 3.496 1.00 0.00 O ATOM 1721 CB ILE B 7 17.705 -32.356 1.484 1.00 0.00 C ATOM 1722 CG1 ILE B 7 16.819 -31.163 1.111 1.00 0.00 C ATOM 1723 CG2 ILE B 7 18.456 -32.887 0.290 1.00 0.00 C ATOM 1724 CD1 ILE B 7 17.592 -29.872 0.967 1.00 0.00 C ATOM 0 H ILE B 7 15.052 -33.402 1.220 1.00 0.00 H new ATOM 0 HA ILE B 7 17.550 -34.244 2.487 1.00 0.00 H new ATOM 0 HB ILE B 7 18.476 -32.020 2.177 1.00 0.00 H new ATOM 0 HG12 ILE B 7 16.306 -31.378 0.174 1.00 0.00 H new ATOM 0 HG13 ILE B 7 16.051 -31.036 1.874 1.00 0.00 H new ATOM 0 HG21 ILE B 7 19.009 -32.075 -0.183 1.00 0.00 H new ATOM 0 HG22 ILE B 7 19.153 -33.660 0.613 1.00 0.00 H new ATOM 0 HG23 ILE B 7 17.750 -33.310 -0.425 1.00 0.00 H new ATOM 0 HD11 ILE B 7 16.908 -29.066 0.702 1.00 0.00 H new ATOM 0 HD12 ILE B 7 18.084 -29.635 1.910 1.00 0.00 H new ATOM 0 HD13 ILE B 7 18.343 -29.983 0.184 1.00 0.00 H new ATOM 1736 N THR B 8 17.149 -32.665 4.514 1.00 0.00 N ATOM 1737 CA THR B 8 16.767 -32.049 5.770 1.00 0.00 C ATOM 1738 C THR B 8 17.021 -30.537 5.738 1.00 0.00 C ATOM 1739 O THR B 8 18.050 -30.078 5.237 1.00 0.00 O ATOM 1740 CB THR B 8 17.520 -32.638 6.972 1.00 0.00 C ATOM 1741 OG1 THR B 8 17.436 -34.071 6.962 1.00 0.00 O ATOM 1742 CG2 THR B 8 16.917 -32.136 8.282 1.00 0.00 C ATOM 0 H THR B 8 18.108 -33.013 4.494 1.00 0.00 H new ATOM 0 HA THR B 8 15.703 -32.255 5.891 1.00 0.00 H new ATOM 0 HB THR B 8 18.561 -32.323 6.897 1.00 0.00 H new ATOM 0 HG1 THR B 8 17.922 -34.433 7.733 1.00 0.00 H new ATOM 0 HG21 THR B 8 17.464 -32.564 9.122 1.00 0.00 H new ATOM 0 HG22 THR B 8 16.985 -31.049 8.321 1.00 0.00 H new ATOM 0 HG23 THR B 8 15.871 -32.436 8.339 1.00 0.00 H new ATOM 1750 N VAL B 9 16.039 -29.781 6.218 1.00 0.00 N ATOM 1751 CA VAL B 9 16.203 -28.317 6.321 1.00 0.00 C ATOM 1752 C VAL B 9 15.810 -27.891 7.743 1.00 0.00 C ATOM 1753 O VAL B 9 14.768 -28.326 8.236 1.00 0.00 O ATOM 1754 CB VAL B 9 15.325 -27.564 5.321 1.00 0.00 C ATOM 1755 CG1 VAL B 9 15.452 -26.050 5.554 1.00 0.00 C ATOM 1756 CG2 VAL B 9 15.691 -27.877 3.881 1.00 0.00 C ATOM 0 H VAL B 9 15.138 -30.137 6.537 1.00 0.00 H new ATOM 0 HA VAL B 9 17.242 -28.073 6.098 1.00 0.00 H new ATOM 0 HB VAL B 9 14.298 -27.891 5.484 1.00 0.00 H new ATOM 0 HG11 VAL B 9 14.825 -25.518 4.839 1.00 0.00 H new ATOM 0 HG12 VAL B 9 15.131 -25.810 6.568 1.00 0.00 H new ATOM 0 HG13 VAL B 9 16.491 -25.747 5.421 1.00 0.00 H new ATOM 0 HG21 VAL B 9 15.039 -27.318 3.210 1.00 0.00 H new ATOM 0 HG22 VAL B 9 16.728 -27.594 3.699 1.00 0.00 H new ATOM 0 HG23 VAL B 9 15.570 -28.945 3.699 1.00 0.00 H new ATOM 1766 N HIS B 10 16.639 -27.068 8.367 1.00 0.00 N ATOM 1767 CA HIS B 10 16.324 -26.567 9.716 1.00 0.00 C ATOM 1768 C HIS B 10 15.919 -25.085 9.623 1.00 0.00 C ATOM 1769 O HIS B 10 16.603 -24.326 8.947 1.00 0.00 O ATOM 1770 CB HIS B 10 17.581 -26.649 10.589 1.00 0.00 C ATOM 1771 CG HIS B 10 18.216 -28.000 10.638 1.00 0.00 C ATOM 1772 ND1 HIS B 10 17.685 -29.054 11.352 1.00 0.00 N ATOM 1773 CD2 HIS B 10 19.378 -28.452 10.096 1.00 0.00 C ATOM 1774 CE1 HIS B 10 18.481 -30.110 11.219 1.00 0.00 C ATOM 1775 NE2 HIS B 10 19.507 -29.770 10.476 1.00 0.00 N ATOM 0 H HIS B 10 17.521 -26.732 7.979 1.00 0.00 H new ATOM 0 HA HIS B 10 15.517 -27.163 10.142 1.00 0.00 H new ATOM 0 HB2 HIS B 10 18.313 -25.931 10.218 1.00 0.00 H new ATOM 0 HB3 HIS B 10 17.323 -26.346 11.604 1.00 0.00 H new ATOM 0 HD2 HIS B 10 20.067 -27.887 9.486 1.00 0.00 H new ATOM 0 HE1 HIS B 10 18.311 -31.085 11.651 1.00 0.00 H new ATOM 0 HE2 HIS B 10 20.279 -30.385 10.220 1.00 0.00 H new ATOM 1783 N PHE B 11 14.852 -24.714 10.298 1.00 0.00 N ATOM 1784 CA PHE B 11 14.389 -23.335 10.316 1.00 0.00 C ATOM 1785 C PHE B 11 14.477 -22.807 11.761 1.00 0.00 C ATOM 1786 O PHE B 11 13.904 -23.428 12.658 1.00 0.00 O ATOM 1787 CB PHE B 11 12.926 -23.221 9.885 1.00 0.00 C ATOM 1788 CG PHE B 11 12.595 -23.563 8.482 1.00 0.00 C ATOM 1789 CD1 PHE B 11 12.602 -24.882 8.038 1.00 0.00 C ATOM 1790 CD2 PHE B 11 12.211 -22.579 7.576 1.00 0.00 C ATOM 1791 CE1 PHE B 11 12.270 -25.198 6.749 1.00 0.00 C ATOM 1792 CE2 PHE B 11 11.873 -22.894 6.279 1.00 0.00 C ATOM 1793 CZ PHE B 11 11.885 -24.210 5.860 1.00 0.00 C ATOM 0 H PHE B 11 14.280 -25.354 10.849 1.00 0.00 H new ATOM 0 HA PHE B 11 15.012 -22.766 9.626 1.00 0.00 H new ATOM 0 HB2 PHE B 11 12.333 -23.863 10.536 1.00 0.00 H new ATOM 0 HB3 PHE B 11 12.601 -22.196 10.066 1.00 0.00 H new ATOM 0 HD1 PHE B 11 12.875 -25.671 8.724 1.00 0.00 H new ATOM 0 HD2 PHE B 11 12.177 -21.548 7.896 1.00 0.00 H new ATOM 0 HE1 PHE B 11 12.309 -26.227 6.423 1.00 0.00 H new ATOM 0 HE2 PHE B 11 11.598 -22.111 5.588 1.00 0.00 H new ATOM 0 HZ PHE B 11 11.597 -24.465 4.851 1.00 0.00 H new ATOM 1803 N ILE B 12 15.232 -21.739 11.956 1.00 0.00 N ATOM 1804 CA ILE B 12 15.222 -21.058 13.246 1.00 0.00 C ATOM 1805 C ILE B 12 14.092 -20.011 13.209 1.00 0.00 C ATOM 1806 O ILE B 12 14.181 -19.024 12.497 1.00 0.00 O ATOM 1807 CB ILE B 12 16.531 -20.384 13.620 1.00 0.00 C ATOM 1808 CG1 ILE B 12 17.695 -21.377 13.594 1.00 0.00 C ATOM 1809 CG2 ILE B 12 16.428 -19.776 15.040 1.00 0.00 C ATOM 1810 CD1 ILE B 12 19.051 -20.733 13.757 1.00 0.00 C ATOM 0 H ILE B 12 15.849 -21.329 11.255 1.00 0.00 H new ATOM 0 HA ILE B 12 15.066 -21.817 14.012 1.00 0.00 H new ATOM 0 HB ILE B 12 16.719 -19.600 12.887 1.00 0.00 H new ATOM 0 HG12 ILE B 12 17.553 -22.109 14.389 1.00 0.00 H new ATOM 0 HG13 ILE B 12 17.674 -21.923 12.651 1.00 0.00 H new ATOM 0 HG21 ILE B 12 17.371 -19.295 15.299 1.00 0.00 H new ATOM 0 HG22 ILE B 12 15.626 -19.038 15.063 1.00 0.00 H new ATOM 0 HG23 ILE B 12 16.214 -20.566 15.760 1.00 0.00 H new ATOM 0 HD11 ILE B 12 19.824 -21.501 13.728 1.00 0.00 H new ATOM 0 HD12 ILE B 12 19.216 -20.022 12.948 1.00 0.00 H new ATOM 0 HD13 ILE B 12 19.093 -20.211 14.713 1.00 0.00 H new ATOM 1822 N ASN B 13 13.004 -20.341 13.895 1.00 0.00 N ATOM 1823 CA ASN B 13 11.817 -19.453 13.848 1.00 0.00 C ATOM 1824 C ASN B 13 12.086 -18.203 14.640 1.00 0.00 C ATOM 1825 O ASN B 13 13.093 -18.147 15.371 1.00 0.00 O ATOM 1826 CB ASN B 13 10.615 -20.234 14.364 1.00 0.00 C ATOM 1827 CG ASN B 13 9.291 -19.624 13.983 1.00 0.00 C ATOM 1828 OD1 ASN B 13 9.247 -18.568 13.338 1.00 0.00 O ATOM 1829 ND2 ASN B 13 8.203 -20.269 14.396 1.00 0.00 N ATOM 0 H ASN B 13 12.905 -21.177 14.471 1.00 0.00 H new ATOM 0 HA ASN B 13 11.601 -19.134 12.828 1.00 0.00 H new ATOM 0 HB2 ASN B 13 10.661 -21.252 13.978 1.00 0.00 H new ATOM 0 HB3 ASN B 13 10.675 -20.302 15.450 1.00 0.00 H new ATOM 0 HD21 ASN B 13 7.278 -19.896 14.184 1.00 0.00 H new ATOM 0 HD22 ASN B 13 8.294 -21.136 14.925 1.00 0.00 H new ATOM 1836 N ARG B 14 11.243 -17.183 14.555 1.00 0.00 N ATOM 1837 CA ARG B 14 11.492 -15.931 15.267 1.00 0.00 C ATOM 1838 C ARG B 14 11.434 -16.094 16.778 1.00 0.00 C ATOM 1839 O ARG B 14 12.080 -15.323 17.511 1.00 0.00 O ATOM 1840 CB ARG B 14 10.621 -14.795 14.813 1.00 0.00 C ATOM 1841 CG ARG B 14 9.590 -15.059 13.756 1.00 0.00 C ATOM 1842 CD ARG B 14 8.701 -13.824 13.528 1.00 0.00 C ATOM 1843 NE ARG B 14 8.641 -13.483 12.117 1.00 0.00 N ATOM 1844 CZ ARG B 14 7.869 -14.063 11.205 1.00 0.00 C ATOM 1845 NH1 ARG B 14 7.033 -15.034 11.528 1.00 0.00 N ATOM 1846 NH2 ARG B 14 7.912 -13.635 9.947 1.00 0.00 N ATOM 0 H ARG B 14 10.385 -17.194 14.004 1.00 0.00 H new ATOM 0 HA ARG B 14 12.515 -15.662 15.002 1.00 0.00 H new ATOM 0 HB2 ARG B 14 10.104 -14.404 15.689 1.00 0.00 H new ATOM 0 HB3 ARG B 14 11.274 -14.003 14.448 1.00 0.00 H new ATOM 0 HG2 ARG B 14 10.083 -15.333 12.823 1.00 0.00 H new ATOM 0 HG3 ARG B 14 8.971 -15.907 14.051 1.00 0.00 H new ATOM 0 HD2 ARG B 14 7.696 -14.020 13.902 1.00 0.00 H new ATOM 0 HD3 ARG B 14 9.093 -12.979 14.094 1.00 0.00 H new ATOM 0 HE ARG B 14 9.248 -12.728 11.797 1.00 0.00 H new ATOM 0 HH11 ARG B 14 6.971 -15.353 12.495 1.00 0.00 H new ATOM 0 HH12 ARG B 14 6.450 -15.465 10.810 1.00 0.00 H new ATOM 0 HH21 ARG B 14 8.534 -12.868 9.690 1.00 0.00 H new ATOM 0 HH22 ARG B 14 7.323 -14.073 9.239 1.00 0.00 H new ATOM 1860 N ASP B 15 10.704 -17.092 17.260 1.00 0.00 N ATOM 1861 CA ASP B 15 10.623 -17.397 18.678 1.00 0.00 C ATOM 1862 C ASP B 15 11.891 -18.058 19.196 1.00 0.00 C ATOM 1863 O ASP B 15 12.115 -18.121 20.410 1.00 0.00 O ATOM 1864 CB ASP B 15 9.398 -18.242 19.001 1.00 0.00 C ATOM 1865 CG ASP B 15 9.217 -19.459 18.133 1.00 0.00 C ATOM 1866 OD1 ASP B 15 10.131 -19.803 17.350 1.00 0.00 O ATOM 1867 OD2 ASP B 15 8.132 -20.103 18.208 1.00 0.00 O ATOM 0 H ASP B 15 10.149 -17.715 16.673 1.00 0.00 H new ATOM 0 HA ASP B 15 10.519 -16.444 19.196 1.00 0.00 H new ATOM 0 HB2 ASP B 15 9.460 -18.562 20.041 1.00 0.00 H new ATOM 0 HB3 ASP B 15 8.510 -17.616 18.913 1.00 0.00 H new ATOM 1872 N GLY B 16 12.747 -18.541 18.298 1.00 0.00 N ATOM 1873 CA GLY B 16 14.007 -19.148 18.698 1.00 0.00 C ATOM 1874 C GLY B 16 13.960 -20.665 18.586 1.00 0.00 C ATOM 1875 O GLY B 16 14.989 -21.324 18.711 1.00 0.00 O ATOM 0 H GLY B 16 12.588 -18.522 17.291 1.00 0.00 H new ATOM 0 HA2 GLY B 16 14.812 -18.761 18.073 1.00 0.00 H new ATOM 0 HA3 GLY B 16 14.237 -18.866 19.725 1.00 0.00 H new ATOM 1879 N GLU B 17 12.767 -21.211 18.344 1.00 0.00 N ATOM 1880 CA GLU B 17 12.633 -22.665 18.213 1.00 0.00 C ATOM 1881 C GLU B 17 13.149 -23.124 16.848 1.00 0.00 C ATOM 1882 O GLU B 17 12.918 -22.458 15.835 1.00 0.00 O ATOM 1883 CB GLU B 17 11.194 -23.114 18.398 1.00 0.00 C ATOM 1884 CG GLU B 17 10.431 -22.445 19.519 1.00 0.00 C ATOM 1885 CD GLU B 17 10.895 -22.883 20.892 1.00 0.00 C ATOM 1886 OE1 GLU B 17 11.998 -22.460 21.311 1.00 0.00 O ATOM 1887 OE2 GLU B 17 10.167 -23.651 21.554 1.00 0.00 O ATOM 0 H GLU B 17 11.899 -20.686 18.237 1.00 0.00 H new ATOM 0 HA GLU B 17 13.232 -23.123 19.000 1.00 0.00 H new ATOM 0 HB2 GLU B 17 10.657 -22.941 17.465 1.00 0.00 H new ATOM 0 HB3 GLU B 17 11.189 -24.190 18.573 1.00 0.00 H new ATOM 0 HG2 GLU B 17 10.541 -21.364 19.432 1.00 0.00 H new ATOM 0 HG3 GLU B 17 9.369 -22.667 19.412 1.00 0.00 H new ATOM 1894 N THR B 18 13.842 -24.262 16.832 1.00 0.00 N ATOM 1895 CA THR B 18 14.332 -24.823 15.594 1.00 0.00 C ATOM 1896 C THR B 18 13.352 -25.847 15.036 1.00 0.00 C ATOM 1897 O THR B 18 12.937 -26.780 15.724 1.00 0.00 O ATOM 1898 CB THR B 18 15.728 -25.437 15.713 1.00 0.00 C ATOM 1899 OG1 THR B 18 16.686 -24.381 15.922 1.00 0.00 O ATOM 1900 CG2 THR B 18 16.103 -26.173 14.430 1.00 0.00 C ATOM 0 H THR B 18 14.071 -24.805 17.665 1.00 0.00 H new ATOM 0 HA THR B 18 14.417 -23.987 14.900 1.00 0.00 H new ATOM 0 HB THR B 18 15.730 -26.139 16.547 1.00 0.00 H new ATOM 0 HG1 THR B 18 17.584 -24.765 16.001 1.00 0.00 H new ATOM 0 HG21 THR B 18 17.099 -26.603 14.535 1.00 0.00 H new ATOM 0 HG22 THR B 18 15.382 -26.969 14.243 1.00 0.00 H new ATOM 0 HG23 THR B 18 16.096 -25.474 13.594 1.00 0.00 H new ATOM 1908 N LEU B 19 12.888 -25.582 13.825 1.00 0.00 N ATOM 1909 CA LEU B 19 11.954 -26.473 13.143 1.00 0.00 C ATOM 1910 C LEU B 19 12.757 -27.334 12.162 1.00 0.00 C ATOM 1911 O LEU B 19 13.374 -26.781 11.258 1.00 0.00 O ATOM 1912 CB LEU B 19 10.926 -25.658 12.370 1.00 0.00 C ATOM 1913 CG LEU B 19 9.752 -25.032 13.044 1.00 0.00 C ATOM 1914 CD1 LEU B 19 9.811 -25.028 14.559 1.00 0.00 C ATOM 1915 CD2 LEU B 19 9.471 -23.619 12.520 1.00 0.00 C ATOM 0 H LEU B 19 13.143 -24.753 13.289 1.00 0.00 H new ATOM 0 HA LEU B 19 11.432 -27.096 13.870 1.00 0.00 H new ATOM 0 HB2 LEU B 19 11.470 -24.855 11.873 1.00 0.00 H new ATOM 0 HB3 LEU B 19 10.532 -26.307 11.588 1.00 0.00 H new ATOM 0 HG LEU B 19 8.921 -25.685 12.778 1.00 0.00 H new ATOM 0 HD11 LEU B 19 8.914 -24.553 14.957 1.00 0.00 H new ATOM 0 HD12 LEU B 19 9.870 -26.054 14.924 1.00 0.00 H new ATOM 0 HD13 LEU B 19 10.691 -24.475 14.887 1.00 0.00 H new ATOM 0 HD21 LEU B 19 8.608 -23.203 13.040 1.00 0.00 H new ATOM 0 HD22 LEU B 19 10.341 -22.986 12.697 1.00 0.00 H new ATOM 0 HD23 LEU B 19 9.265 -23.662 11.451 1.00 0.00 H new ATOM 1927 N THR B 20 12.797 -28.634 12.419 1.00 0.00 N ATOM 1928 CA THR B 20 13.554 -29.520 11.514 1.00 0.00 C ATOM 1929 C THR B 20 12.565 -30.281 10.643 1.00 0.00 C ATOM 1930 O THR B 20 11.576 -30.810 11.165 1.00 0.00 O ATOM 1931 CB THR B 20 14.458 -30.471 12.291 1.00 0.00 C ATOM 1932 OG1 THR B 20 15.376 -29.697 13.097 1.00 0.00 O ATOM 1933 CG2 THR B 20 15.262 -31.362 11.353 1.00 0.00 C ATOM 0 H THR B 20 12.340 -29.093 13.207 1.00 0.00 H new ATOM 0 HA THR B 20 14.208 -28.919 10.882 1.00 0.00 H new ATOM 0 HB THR B 20 13.830 -31.104 12.917 1.00 0.00 H new ATOM 0 HG1 THR B 20 16.162 -29.460 12.561 1.00 0.00 H new ATOM 0 HG21 THR B 20 15.896 -32.028 11.938 1.00 0.00 H new ATOM 0 HG22 THR B 20 14.581 -31.954 10.741 1.00 0.00 H new ATOM 0 HG23 THR B 20 15.885 -30.743 10.707 1.00 0.00 H new ATOM 1941 N THR B 21 12.734 -30.201 9.328 1.00 0.00 N ATOM 1942 CA THR B 21 11.803 -30.866 8.422 1.00 0.00 C ATOM 1943 C THR B 21 12.496 -31.310 7.147 1.00 0.00 C ATOM 1944 O THR B 21 13.679 -31.034 6.921 1.00 0.00 O ATOM 1945 CB THR B 21 10.590 -29.982 8.083 1.00 0.00 C ATOM 1946 OG1 THR B 21 9.564 -30.773 7.475 1.00 0.00 O ATOM 1947 CG2 THR B 21 10.976 -28.865 7.126 1.00 0.00 C ATOM 0 H THR B 21 13.491 -29.693 8.871 1.00 0.00 H new ATOM 0 HA THR B 21 11.437 -31.748 8.948 1.00 0.00 H new ATOM 0 HB THR B 21 10.227 -29.544 9.013 1.00 0.00 H new ATOM 0 HG1 THR B 21 8.751 -30.731 8.021 1.00 0.00 H new ATOM 0 HG21 THR B 21 10.099 -28.257 6.904 1.00 0.00 H new ATOM 0 HG22 THR B 21 11.743 -28.242 7.585 1.00 0.00 H new ATOM 0 HG23 THR B 21 11.362 -29.295 6.202 1.00 0.00 H new ATOM 1955 N LYS B 22 11.769 -32.045 6.321 1.00 0.00 N ATOM 1956 CA LYS B 22 12.321 -32.565 5.076 1.00 0.00 C ATOM 1957 C LYS B 22 11.532 -32.061 3.879 1.00 0.00 C ATOM 1958 O LYS B 22 10.318 -31.858 3.972 1.00 0.00 O ATOM 1959 CB LYS B 22 12.324 -34.103 5.121 1.00 0.00 C ATOM 1960 CG LYS B 22 13.325 -34.664 6.136 1.00 0.00 C ATOM 1961 CD LYS B 22 13.779 -36.055 5.742 1.00 0.00 C ATOM 1962 CE LYS B 22 13.925 -36.957 6.963 1.00 0.00 C ATOM 1963 NZ LYS B 22 14.931 -38.038 6.700 1.00 0.00 N ATOM 0 H LYS B 22 10.795 -32.296 6.488 1.00 0.00 H new ATOM 0 HA LYS B 22 13.345 -32.209 4.967 1.00 0.00 H new ATOM 0 HB2 LYS B 22 11.324 -34.457 5.370 1.00 0.00 H new ATOM 0 HB3 LYS B 22 12.562 -34.491 4.130 1.00 0.00 H new ATOM 0 HG2 LYS B 22 14.188 -34.002 6.204 1.00 0.00 H new ATOM 0 HG3 LYS B 22 12.867 -34.694 7.125 1.00 0.00 H new ATOM 0 HD2 LYS B 22 13.060 -36.492 5.049 1.00 0.00 H new ATOM 0 HD3 LYS B 22 14.732 -35.994 5.217 1.00 0.00 H new ATOM 0 HE2 LYS B 22 14.235 -36.365 7.825 1.00 0.00 H new ATOM 0 HE3 LYS B 22 12.961 -37.402 7.211 1.00 0.00 H new ATOM 0 HZ1 LYS B 22 15.018 -38.643 7.541 1.00 0.00 H new ATOM 0 HZ2 LYS B 22 14.620 -38.613 5.891 1.00 0.00 H new ATOM 0 HZ3 LYS B 22 15.854 -37.609 6.485 1.00 0.00 H new ATOM 1977 N GLY B 23 12.214 -31.816 2.779 1.00 0.00 N ATOM 1978 CA GLY B 23 11.606 -31.440 1.524 1.00 0.00 C ATOM 1979 C GLY B 23 12.300 -32.207 0.386 1.00 0.00 C ATOM 1980 O GLY B 23 13.384 -32.746 0.598 1.00 0.00 O ATOM 0 H GLY B 23 13.231 -31.875 2.734 1.00 0.00 H new ATOM 0 HA2 GLY B 23 10.540 -31.669 1.538 1.00 0.00 H new ATOM 0 HA3 GLY B 23 11.700 -30.365 1.367 1.00 0.00 H new ATOM 1984 N LYS B 24 11.695 -32.219 -0.793 1.00 0.00 N ATOM 1985 CA LYS B 24 12.297 -32.909 -1.930 1.00 0.00 C ATOM 1986 C LYS B 24 13.039 -31.929 -2.826 1.00 0.00 C ATOM 1987 O LYS B 24 12.584 -30.799 -3.020 1.00 0.00 O ATOM 1988 CB LYS B 24 11.251 -33.668 -2.742 1.00 0.00 C ATOM 1989 CG LYS B 24 9.806 -33.371 -2.397 1.00 0.00 C ATOM 1990 CD LYS B 24 8.950 -33.237 -3.650 1.00 0.00 C ATOM 1991 CE LYS B 24 8.803 -34.561 -4.377 1.00 0.00 C ATOM 1992 NZ LYS B 24 7.921 -34.434 -5.578 1.00 0.00 N ATOM 0 H LYS B 24 10.802 -31.767 -0.988 1.00 0.00 H new ATOM 0 HA LYS B 24 13.008 -33.632 -1.531 1.00 0.00 H new ATOM 0 HB2 LYS B 24 11.406 -33.445 -3.798 1.00 0.00 H new ATOM 0 HB3 LYS B 24 11.423 -34.737 -2.613 1.00 0.00 H new ATOM 0 HG2 LYS B 24 9.410 -34.168 -1.768 1.00 0.00 H new ATOM 0 HG3 LYS B 24 9.751 -32.450 -1.817 1.00 0.00 H new ATOM 0 HD2 LYS B 24 7.964 -32.860 -3.378 1.00 0.00 H new ATOM 0 HD3 LYS B 24 9.398 -32.503 -4.319 1.00 0.00 H new ATOM 0 HE2 LYS B 24 9.786 -34.920 -4.683 1.00 0.00 H new ATOM 0 HE3 LYS B 24 8.389 -35.306 -3.698 1.00 0.00 H new ATOM 0 HZ1 LYS B 24 7.843 -35.357 -6.050 1.00 0.00 H new ATOM 0 HZ2 LYS B 24 6.976 -34.115 -5.283 1.00 0.00 H new ATOM 0 HZ3 LYS B 24 8.330 -33.741 -6.237 1.00 0.00 H new ATOM 2006 N ILE B 25 14.168 -32.367 -3.390 1.00 0.00 N ATOM 2007 CA ILE B 25 14.900 -31.453 -4.292 1.00 0.00 C ATOM 2008 C ILE B 25 13.933 -30.953 -5.354 1.00 0.00 C ATOM 2009 O ILE B 25 13.014 -31.672 -5.769 1.00 0.00 O ATOM 2010 CB ILE B 25 16.190 -32.008 -4.820 1.00 0.00 C ATOM 2011 CG1 ILE B 25 16.346 -31.962 -6.326 1.00 0.00 C ATOM 2012 CG2 ILE B 25 16.475 -33.409 -4.291 1.00 0.00 C ATOM 2013 CD1 ILE B 25 17.122 -30.779 -6.856 1.00 0.00 C ATOM 0 H ILE B 25 14.582 -33.290 -3.255 1.00 0.00 H new ATOM 0 HA ILE B 25 15.253 -30.595 -3.720 1.00 0.00 H new ATOM 0 HB ILE B 25 16.943 -31.323 -4.430 1.00 0.00 H new ATOM 0 HG12 ILE B 25 16.841 -32.877 -6.652 1.00 0.00 H new ATOM 0 HG13 ILE B 25 15.354 -31.958 -6.778 1.00 0.00 H new ATOM 0 HG21 ILE B 25 17.419 -33.768 -4.701 1.00 0.00 H new ATOM 0 HG22 ILE B 25 16.539 -33.381 -3.203 1.00 0.00 H new ATOM 0 HG23 ILE B 25 15.671 -34.081 -4.590 1.00 0.00 H new ATOM 0 HD11 ILE B 25 17.178 -30.838 -7.943 1.00 0.00 H new ATOM 0 HD12 ILE B 25 16.620 -29.856 -6.568 1.00 0.00 H new ATOM 0 HD13 ILE B 25 18.129 -30.789 -6.440 1.00 0.00 H new ATOM 2025 N GLY B 26 13.982 -29.650 -5.618 1.00 0.00 N ATOM 2026 CA GLY B 26 13.111 -29.009 -6.572 1.00 0.00 C ATOM 2027 C GLY B 26 11.969 -28.259 -5.889 1.00 0.00 C ATOM 2028 O GLY B 26 11.379 -27.377 -6.506 1.00 0.00 O ATOM 0 H GLY B 26 14.637 -29.012 -5.166 1.00 0.00 H new ATOM 0 HA2 GLY B 26 13.689 -28.313 -7.181 1.00 0.00 H new ATOM 0 HA3 GLY B 26 12.700 -29.758 -7.248 1.00 0.00 H new ATOM 2032 N ASP B 27 11.637 -28.633 -4.671 1.00 0.00 N ATOM 2033 CA ASP B 27 10.595 -27.973 -3.892 1.00 0.00 C ATOM 2034 C ASP B 27 11.060 -26.565 -3.486 1.00 0.00 C ATOM 2035 O ASP B 27 12.228 -26.374 -3.173 1.00 0.00 O ATOM 2036 CB ASP B 27 10.352 -28.771 -2.604 1.00 0.00 C ATOM 2037 CG ASP B 27 9.176 -29.699 -2.630 1.00 0.00 C ATOM 2038 OD1 ASP B 27 8.609 -29.984 -3.706 1.00 0.00 O ATOM 2039 OD2 ASP B 27 8.787 -30.178 -1.523 1.00 0.00 O ATOM 0 H ASP B 27 12.083 -29.410 -4.184 1.00 0.00 H new ATOM 0 HA ASP B 27 9.688 -27.913 -4.494 1.00 0.00 H new ATOM 0 HB2 ASP B 27 11.247 -29.353 -2.384 1.00 0.00 H new ATOM 0 HB3 ASP B 27 10.219 -28.068 -1.782 1.00 0.00 H new ATOM 2044 N SER B 28 10.139 -25.602 -3.486 1.00 0.00 N ATOM 2045 CA SER B 28 10.542 -24.258 -2.988 1.00 0.00 C ATOM 2046 C SER B 28 10.568 -24.304 -1.477 1.00 0.00 C ATOM 2047 O SER B 28 10.000 -25.231 -0.856 1.00 0.00 O ATOM 2048 CB SER B 28 9.598 -23.176 -3.514 1.00 0.00 C ATOM 2049 OG SER B 28 8.498 -23.004 -2.644 1.00 0.00 O ATOM 0 H SER B 28 9.173 -25.697 -3.798 1.00 0.00 H new ATOM 0 HA SER B 28 11.536 -24.001 -3.354 1.00 0.00 H new ATOM 0 HB2 SER B 28 10.138 -22.234 -3.616 1.00 0.00 H new ATOM 0 HB3 SER B 28 9.242 -23.449 -4.508 1.00 0.00 H new ATOM 0 HG SER B 28 7.907 -22.307 -2.998 1.00 0.00 H new ATOM 2055 N LEU B 29 11.175 -23.308 -0.840 1.00 0.00 N ATOM 2056 CA LEU B 29 11.172 -23.258 0.626 1.00 0.00 C ATOM 2057 C LEU B 29 9.793 -22.947 1.168 1.00 0.00 C ATOM 2058 O LEU B 29 9.435 -23.385 2.263 1.00 0.00 O ATOM 2059 CB LEU B 29 12.241 -22.273 1.102 1.00 0.00 C ATOM 2060 CG LEU B 29 13.650 -22.958 1.176 1.00 0.00 C ATOM 2061 CD1 LEU B 29 14.725 -21.909 1.230 1.00 0.00 C ATOM 2062 CD2 LEU B 29 13.668 -23.868 2.395 1.00 0.00 C ATOM 0 H LEU B 29 11.665 -22.540 -1.298 1.00 0.00 H new ATOM 0 HA LEU B 29 11.425 -24.241 1.024 1.00 0.00 H new ATOM 0 HB2 LEU B 29 12.283 -21.421 0.423 1.00 0.00 H new ATOM 0 HB3 LEU B 29 11.970 -21.885 2.084 1.00 0.00 H new ATOM 0 HG LEU B 29 13.842 -23.561 0.288 1.00 0.00 H new ATOM 0 HD11 LEU B 29 15.701 -22.391 1.281 1.00 0.00 H new ATOM 0 HD12 LEU B 29 14.673 -21.289 0.335 1.00 0.00 H new ATOM 0 HD13 LEU B 29 14.581 -21.286 2.113 1.00 0.00 H new ATOM 0 HD21 LEU B 29 14.639 -24.357 2.469 1.00 0.00 H new ATOM 0 HD22 LEU B 29 13.490 -23.277 3.293 1.00 0.00 H new ATOM 0 HD23 LEU B 29 12.888 -24.623 2.297 1.00 0.00 H new ATOM 2074 N LEU B 30 8.955 -22.302 0.366 1.00 0.00 N ATOM 2075 CA LEU B 30 7.554 -22.060 0.785 1.00 0.00 C ATOM 2076 C LEU B 30 6.790 -23.380 0.761 1.00 0.00 C ATOM 2077 O LEU B 30 6.061 -23.705 1.709 1.00 0.00 O ATOM 2078 CB LEU B 30 6.903 -21.029 -0.127 1.00 0.00 C ATOM 2079 CG LEU B 30 5.376 -20.882 0.012 1.00 0.00 C ATOM 2080 CD1 LEU B 30 5.012 -20.463 1.439 1.00 0.00 C ATOM 2081 CD2 LEU B 30 4.829 -19.886 -0.988 1.00 0.00 C ATOM 0 H LEU B 30 9.198 -21.940 -0.556 1.00 0.00 H new ATOM 0 HA LEU B 30 7.535 -21.662 1.800 1.00 0.00 H new ATOM 0 HB2 LEU B 30 7.362 -20.059 0.066 1.00 0.00 H new ATOM 0 HB3 LEU B 30 7.132 -21.290 -1.160 1.00 0.00 H new ATOM 0 HG LEU B 30 4.922 -21.850 -0.198 1.00 0.00 H new ATOM 0 HD11 LEU B 30 3.930 -20.363 1.524 1.00 0.00 H new ATOM 0 HD12 LEU B 30 5.362 -21.220 2.141 1.00 0.00 H new ATOM 0 HD13 LEU B 30 5.484 -19.508 1.669 1.00 0.00 H new ATOM 0 HD21 LEU B 30 3.749 -19.804 -0.866 1.00 0.00 H new ATOM 0 HD22 LEU B 30 5.289 -18.912 -0.820 1.00 0.00 H new ATOM 0 HD23 LEU B 30 5.055 -20.224 -1.999 1.00 0.00 H new ATOM 2093 N ASP B 31 7.022 -24.162 -0.290 1.00 0.00 N ATOM 2094 CA ASP B 31 6.464 -25.512 -0.380 1.00 0.00 C ATOM 2095 C ASP B 31 6.817 -26.314 0.873 1.00 0.00 C ATOM 2096 O ASP B 31 5.950 -26.907 1.514 1.00 0.00 O ATOM 2097 CB ASP B 31 6.969 -26.255 -1.602 1.00 0.00 C ATOM 2098 CG ASP B 31 6.579 -25.647 -2.929 1.00 0.00 C ATOM 2099 OD1 ASP B 31 5.536 -24.979 -3.008 1.00 0.00 O ATOM 2100 OD2 ASP B 31 7.334 -25.848 -3.918 1.00 0.00 O ATOM 0 H ASP B 31 7.591 -23.887 -1.091 1.00 0.00 H new ATOM 0 HA ASP B 31 5.383 -25.407 -0.466 1.00 0.00 H new ATOM 0 HB2 ASP B 31 8.056 -26.310 -1.551 1.00 0.00 H new ATOM 0 HB3 ASP B 31 6.596 -27.279 -1.565 1.00 0.00 H new ATOM 2105 N VAL B 32 8.090 -26.244 1.274 1.00 0.00 N ATOM 2106 CA VAL B 32 8.540 -26.916 2.478 1.00 0.00 C ATOM 2107 C VAL B 32 7.747 -26.469 3.697 1.00 0.00 C ATOM 2108 O VAL B 32 7.380 -27.292 4.557 1.00 0.00 O ATOM 2109 CB VAL B 32 10.042 -26.702 2.741 1.00 0.00 C ATOM 2110 CG1 VAL B 32 10.475 -27.436 4.004 1.00 0.00 C ATOM 2111 CG2 VAL B 32 10.866 -27.174 1.548 1.00 0.00 C ATOM 0 H VAL B 32 8.818 -25.729 0.779 1.00 0.00 H new ATOM 0 HA VAL B 32 8.369 -27.979 2.310 1.00 0.00 H new ATOM 0 HB VAL B 32 10.215 -25.635 2.883 1.00 0.00 H new ATOM 0 HG11 VAL B 32 11.539 -27.273 4.173 1.00 0.00 H new ATOM 0 HG12 VAL B 32 9.910 -27.058 4.856 1.00 0.00 H new ATOM 0 HG13 VAL B 32 10.286 -28.503 3.888 1.00 0.00 H new ATOM 0 HG21 VAL B 32 11.925 -27.015 1.752 1.00 0.00 H new ATOM 0 HG22 VAL B 32 10.684 -28.235 1.377 1.00 0.00 H new ATOM 0 HG23 VAL B 32 10.578 -26.610 0.661 1.00 0.00 H new ATOM 2121 N VAL B 33 7.544 -25.157 3.832 1.00 0.00 N ATOM 2122 CA VAL B 33 6.820 -24.656 4.998 1.00 0.00 C ATOM 2123 C VAL B 33 5.355 -25.057 4.929 1.00 0.00 C ATOM 2124 O VAL B 33 4.783 -25.505 5.937 1.00 0.00 O ATOM 2125 CB VAL B 33 6.973 -23.135 5.157 1.00 0.00 C ATOM 2126 CG1 VAL B 33 6.012 -22.582 6.186 1.00 0.00 C ATOM 2127 CG2 VAL B 33 8.425 -22.823 5.593 1.00 0.00 C ATOM 0 H VAL B 33 7.859 -24.445 3.173 1.00 0.00 H new ATOM 0 HA VAL B 33 7.261 -25.114 5.883 1.00 0.00 H new ATOM 0 HB VAL B 33 6.747 -22.664 4.200 1.00 0.00 H new ATOM 0 HG11 VAL B 33 6.150 -21.504 6.270 1.00 0.00 H new ATOM 0 HG12 VAL B 33 4.988 -22.794 5.878 1.00 0.00 H new ATOM 0 HG13 VAL B 33 6.205 -23.049 7.152 1.00 0.00 H new ATOM 0 HG21 VAL B 33 8.547 -21.746 5.709 1.00 0.00 H new ATOM 0 HG22 VAL B 33 8.634 -23.316 6.542 1.00 0.00 H new ATOM 0 HG23 VAL B 33 9.119 -23.187 4.835 1.00 0.00 H new ATOM 2137 N VAL B 34 4.751 -24.921 3.761 1.00 0.00 N ATOM 2138 CA VAL B 34 3.305 -25.166 3.621 1.00 0.00 C ATOM 2139 C VAL B 34 2.944 -26.617 3.779 1.00 0.00 C ATOM 2140 O VAL B 34 2.096 -26.969 4.631 1.00 0.00 O ATOM 2141 CB VAL B 34 2.794 -24.552 2.316 1.00 0.00 C ATOM 2142 CG1 VAL B 34 1.465 -25.119 1.874 1.00 0.00 C ATOM 2143 CG2 VAL B 34 2.699 -23.024 2.474 1.00 0.00 C ATOM 0 H VAL B 34 5.222 -24.646 2.899 1.00 0.00 H new ATOM 0 HA VAL B 34 2.792 -24.666 4.443 1.00 0.00 H new ATOM 0 HB VAL B 34 3.510 -24.807 1.535 1.00 0.00 H new ATOM 0 HG11 VAL B 34 1.158 -24.643 0.943 1.00 0.00 H new ATOM 0 HG12 VAL B 34 1.562 -26.193 1.717 1.00 0.00 H new ATOM 0 HG13 VAL B 34 0.715 -24.931 2.643 1.00 0.00 H new ATOM 0 HG21 VAL B 34 2.335 -22.584 1.545 1.00 0.00 H new ATOM 0 HG22 VAL B 34 2.010 -22.784 3.284 1.00 0.00 H new ATOM 0 HG23 VAL B 34 3.685 -22.620 2.705 1.00 0.00 H new ATOM 2153 N GLN B 35 3.626 -27.528 3.087 1.00 0.00 N ATOM 2154 CA GLN B 35 3.312 -28.941 3.164 1.00 0.00 C ATOM 2155 C GLN B 35 3.485 -29.529 4.547 1.00 0.00 C ATOM 2156 O GLN B 35 2.665 -30.344 4.994 1.00 0.00 O ATOM 2157 CB GLN B 35 4.123 -29.740 2.145 1.00 0.00 C ATOM 2158 CG GLN B 35 3.410 -29.827 0.785 1.00 0.00 C ATOM 2159 CD GLN B 35 4.375 -29.549 -0.348 1.00 0.00 C ATOM 2160 OE1 GLN B 35 5.433 -30.185 -0.420 1.00 0.00 O ATOM 2161 NE2 GLN B 35 4.044 -28.599 -1.203 1.00 0.00 N ATOM 0 H GLN B 35 4.403 -27.304 2.465 1.00 0.00 H new ATOM 0 HA GLN B 35 2.251 -29.019 2.925 1.00 0.00 H new ATOM 0 HB2 GLN B 35 5.100 -29.275 2.014 1.00 0.00 H new ATOM 0 HB3 GLN B 35 4.298 -30.745 2.528 1.00 0.00 H new ATOM 0 HG2 GLN B 35 2.973 -30.818 0.661 1.00 0.00 H new ATOM 0 HG3 GLN B 35 2.589 -29.111 0.753 1.00 0.00 H new ATOM 0 HE21 GLN B 35 3.158 -28.105 -1.098 1.00 0.00 H new ATOM 0 HE22 GLN B 35 4.674 -28.360 -1.968 1.00 0.00 H new ATOM 2170 N ASN B 36 4.537 -29.130 5.251 1.00 0.00 N ATOM 2171 CA ASN B 36 4.849 -29.672 6.559 1.00 0.00 C ATOM 2172 C ASN B 36 4.201 -28.921 7.689 1.00 0.00 C ATOM 2173 O ASN B 36 4.555 -29.132 8.861 1.00 0.00 O ATOM 2174 CB ASN B 36 6.375 -29.727 6.752 1.00 0.00 C ATOM 2175 CG ASN B 36 7.067 -30.369 5.573 1.00 0.00 C ATOM 2176 OD1 ASN B 36 6.751 -31.504 5.198 1.00 0.00 O ATOM 2177 ND2 ASN B 36 8.007 -29.668 4.972 1.00 0.00 N ATOM 0 H ASN B 36 5.195 -28.421 4.927 1.00 0.00 H new ATOM 0 HA ASN B 36 4.434 -30.679 6.589 1.00 0.00 H new ATOM 0 HB2 ASN B 36 6.760 -28.717 6.894 1.00 0.00 H new ATOM 0 HB3 ASN B 36 6.607 -30.287 7.658 1.00 0.00 H new ATOM 0 HD21 ASN B 36 8.500 -30.059 4.169 1.00 0.00 H new ATOM 0 HD22 ASN B 36 8.241 -28.734 5.309 1.00 0.00 H new ATOM 2184 N ASN B 37 3.297 -27.990 7.392 1.00 0.00 N ATOM 2185 CA ASN B 37 2.593 -27.212 8.368 1.00 0.00 C ATOM 2186 C ASN B 37 3.502 -26.595 9.417 1.00 0.00 C ATOM 2187 O ASN B 37 3.162 -26.603 10.607 1.00 0.00 O ATOM 2188 CB ASN B 37 1.527 -28.071 9.092 1.00 0.00 C ATOM 2189 CG ASN B 37 0.253 -28.193 8.280 1.00 0.00 C ATOM 2190 OD1 ASN B 37 -0.324 -27.196 7.856 1.00 0.00 O ATOM 2191 ND2 ASN B 37 -0.173 -29.431 8.062 1.00 0.00 N ATOM 0 H ASN B 37 3.038 -27.761 6.432 1.00 0.00 H new ATOM 0 HA ASN B 37 2.123 -26.402 7.810 1.00 0.00 H new ATOM 0 HB2 ASN B 37 1.931 -29.065 9.285 1.00 0.00 H new ATOM 0 HB3 ASN B 37 1.299 -27.626 10.061 1.00 0.00 H new ATOM 0 HD21 ASN B 37 -1.021 -29.590 7.517 1.00 0.00 H new ATOM 0 HD22 ASN B 37 0.347 -30.223 8.439 1.00 0.00 H new ATOM 2198 N LEU B 38 4.615 -26.012 8.985 1.00 0.00 N ATOM 2199 CA LEU B 38 5.526 -25.357 9.928 1.00 0.00 C ATOM 2200 C LEU B 38 4.859 -24.159 10.569 1.00 0.00 C ATOM 2201 O LEU B 38 4.155 -23.390 9.902 1.00 0.00 O ATOM 2202 CB LEU B 38 6.821 -24.982 9.197 1.00 0.00 C ATOM 2203 CG LEU B 38 7.989 -25.945 9.373 1.00 0.00 C ATOM 2204 CD1 LEU B 38 7.544 -27.395 9.226 1.00 0.00 C ATOM 2205 CD2 LEU B 38 9.130 -25.632 8.421 1.00 0.00 C ATOM 0 H LEU B 38 4.908 -25.977 8.009 1.00 0.00 H new ATOM 0 HA LEU B 38 5.779 -26.042 10.737 1.00 0.00 H new ATOM 0 HB2 LEU B 38 6.603 -24.897 8.132 1.00 0.00 H new ATOM 0 HB3 LEU B 38 7.135 -23.995 9.538 1.00 0.00 H new ATOM 0 HG LEU B 38 8.361 -25.808 10.388 1.00 0.00 H new ATOM 0 HD11 LEU B 38 8.402 -28.054 9.357 1.00 0.00 H new ATOM 0 HD12 LEU B 38 6.792 -27.623 9.981 1.00 0.00 H new ATOM 0 HD13 LEU B 38 7.119 -27.546 8.234 1.00 0.00 H new ATOM 0 HD21 LEU B 38 9.942 -26.342 8.580 1.00 0.00 H new ATOM 0 HD22 LEU B 38 8.777 -25.708 7.393 1.00 0.00 H new ATOM 0 HD23 LEU B 38 9.491 -24.620 8.606 1.00 0.00 H new ATOM 2217 N ASP B 39 5.094 -23.955 11.851 1.00 0.00 N ATOM 2218 CA ASP B 39 4.443 -22.883 12.623 1.00 0.00 C ATOM 2219 C ASP B 39 5.170 -21.571 12.502 1.00 0.00 C ATOM 2220 O ASP B 39 5.823 -21.076 13.432 1.00 0.00 O ATOM 2221 CB ASP B 39 4.333 -23.358 14.073 1.00 0.00 C ATOM 2222 CG ASP B 39 4.050 -22.296 15.090 1.00 0.00 C ATOM 2223 OD1 ASP B 39 3.114 -21.487 14.888 1.00 0.00 O ATOM 2224 OD2 ASP B 39 4.794 -22.223 16.107 1.00 0.00 O ATOM 0 H ASP B 39 5.741 -24.522 12.399 1.00 0.00 H new ATOM 0 HA ASP B 39 3.448 -22.689 12.223 1.00 0.00 H new ATOM 0 HB2 ASP B 39 3.544 -24.108 14.130 1.00 0.00 H new ATOM 0 HB3 ASP B 39 5.265 -23.854 14.344 1.00 0.00 H new ATOM 2229 N ILE B 40 5.167 -20.988 11.281 1.00 0.00 N ATOM 2230 CA ILE B 40 5.855 -19.702 11.090 1.00 0.00 C ATOM 2231 C ILE B 40 4.809 -18.644 10.754 1.00 0.00 C ATOM 2232 O ILE B 40 4.222 -18.646 9.679 1.00 0.00 O ATOM 2233 CB ILE B 40 6.971 -19.753 10.062 1.00 0.00 C ATOM 2234 CG1 ILE B 40 8.010 -20.830 10.406 1.00 0.00 C ATOM 2235 CG2 ILE B 40 7.672 -18.395 9.960 1.00 0.00 C ATOM 2236 CD1 ILE B 40 8.766 -21.364 9.194 1.00 0.00 C ATOM 0 H ILE B 40 4.716 -21.371 10.450 1.00 0.00 H new ATOM 0 HA ILE B 40 6.362 -19.443 12.020 1.00 0.00 H new ATOM 0 HB ILE B 40 6.513 -20.004 9.105 1.00 0.00 H new ATOM 0 HG12 ILE B 40 8.726 -20.417 11.116 1.00 0.00 H new ATOM 0 HG13 ILE B 40 7.509 -21.660 10.904 1.00 0.00 H new ATOM 0 HG21 ILE B 40 8.469 -18.452 9.218 1.00 0.00 H new ATOM 0 HG22 ILE B 40 6.951 -17.635 9.660 1.00 0.00 H new ATOM 0 HG23 ILE B 40 8.096 -18.131 10.929 1.00 0.00 H new ATOM 0 HD11 ILE B 40 9.482 -22.120 9.516 1.00 0.00 H new ATOM 0 HD12 ILE B 40 8.060 -21.808 8.492 1.00 0.00 H new ATOM 0 HD13 ILE B 40 9.297 -20.546 8.707 1.00 0.00 H new ATOM 2248 N ASP B 41 4.527 -17.799 11.745 1.00 0.00 N ATOM 2249 CA ASP B 41 3.454 -16.815 11.604 1.00 0.00 C ATOM 2250 C ASP B 41 3.581 -16.038 10.299 1.00 0.00 C ATOM 2251 O ASP B 41 4.642 -15.521 9.942 1.00 0.00 O ATOM 2252 CB ASP B 41 3.432 -15.861 12.785 1.00 0.00 C ATOM 2253 CG ASP B 41 3.174 -16.556 14.111 1.00 0.00 C ATOM 2254 OD1 ASP B 41 2.568 -17.643 14.113 1.00 0.00 O ATOM 2255 OD2 ASP B 41 3.633 -16.014 15.138 1.00 0.00 O ATOM 0 H ASP B 41 5.017 -17.775 12.639 1.00 0.00 H new ATOM 0 HA ASP B 41 2.511 -17.362 11.583 1.00 0.00 H new ATOM 0 HB2 ASP B 41 4.386 -15.336 12.837 1.00 0.00 H new ATOM 0 HB3 ASP B 41 2.661 -15.108 12.621 1.00 0.00 H new ATOM 2260 N GLY B 42 2.499 -16.021 9.537 1.00 0.00 N ATOM 2261 CA GLY B 42 2.318 -15.296 8.338 1.00 0.00 C ATOM 2262 C GLY B 42 3.063 -15.767 7.126 1.00 0.00 C ATOM 2263 O GLY B 42 2.961 -15.143 6.053 1.00 0.00 O ATOM 0 H GLY B 42 1.672 -16.565 9.781 1.00 0.00 H new ATOM 0 HA2 GLY B 42 1.254 -15.298 8.101 1.00 0.00 H new ATOM 0 HA3 GLY B 42 2.601 -14.260 8.525 1.00 0.00 H new ATOM 2267 N PHE B 43 3.844 -16.836 7.234 1.00 0.00 N ATOM 2268 CA PHE B 43 4.748 -17.206 6.129 1.00 0.00 C ATOM 2269 C PHE B 43 4.001 -17.620 4.897 1.00 0.00 C ATOM 2270 O PHE B 43 3.130 -18.519 4.946 1.00 0.00 O ATOM 2271 CB PHE B 43 5.716 -18.281 6.633 1.00 0.00 C ATOM 2272 CG PHE B 43 6.918 -18.493 5.765 1.00 0.00 C ATOM 2273 CD1 PHE B 43 6.846 -19.245 4.618 1.00 0.00 C ATOM 2274 CD2 PHE B 43 8.154 -17.972 6.143 1.00 0.00 C ATOM 2275 CE1 PHE B 43 7.961 -19.480 3.836 1.00 0.00 C ATOM 2276 CE2 PHE B 43 9.278 -18.201 5.377 1.00 0.00 C ATOM 2277 CZ PHE B 43 9.186 -18.945 4.217 1.00 0.00 C ATOM 0 H PHE B 43 3.878 -17.452 8.046 1.00 0.00 H new ATOM 0 HA PHE B 43 5.324 -16.333 5.821 1.00 0.00 H new ATOM 0 HB2 PHE B 43 6.050 -18.010 7.634 1.00 0.00 H new ATOM 0 HB3 PHE B 43 5.177 -19.224 6.722 1.00 0.00 H new ATOM 0 HD1 PHE B 43 5.896 -19.663 4.320 1.00 0.00 H new ATOM 0 HD2 PHE B 43 8.233 -17.383 7.045 1.00 0.00 H new ATOM 0 HE1 PHE B 43 7.881 -20.074 2.937 1.00 0.00 H new ATOM 0 HE2 PHE B 43 10.232 -17.798 5.685 1.00 0.00 H new ATOM 0 HZ PHE B 43 10.063 -19.110 3.608 1.00 0.00 H new ATOM 2287 N GLY B 44 4.290 -16.994 3.754 1.00 0.00 N ATOM 2288 CA GLY B 44 3.686 -17.411 2.486 1.00 0.00 C ATOM 2289 C GLY B 44 2.372 -16.699 2.200 1.00 0.00 C ATOM 2290 O GLY B 44 1.545 -17.199 1.414 1.00 0.00 O ATOM 0 H GLY B 44 4.932 -16.205 3.680 1.00 0.00 H new ATOM 0 HA2 GLY B 44 4.385 -17.215 1.673 1.00 0.00 H new ATOM 0 HA3 GLY B 44 3.515 -18.487 2.506 1.00 0.00 H new ATOM 2294 N ALA B 45 2.210 -15.498 2.710 1.00 0.00 N ATOM 2295 CA ALA B 45 0.984 -14.724 2.560 1.00 0.00 C ATOM 2296 C ALA B 45 0.442 -14.655 1.164 1.00 0.00 C ATOM 2297 O ALA B 45 -0.777 -14.890 0.960 1.00 0.00 O ATOM 2298 CB ALA B 45 1.206 -13.324 3.146 1.00 0.00 C ATOM 0 H ALA B 45 2.932 -15.020 3.249 1.00 0.00 H new ATOM 0 HA ALA B 45 0.209 -15.255 3.114 1.00 0.00 H new ATOM 0 HB1 ALA B 45 0.294 -12.736 3.039 1.00 0.00 H new ATOM 0 HB2 ALA B 45 1.462 -13.408 4.202 1.00 0.00 H new ATOM 0 HB3 ALA B 45 2.020 -12.832 2.614 1.00 0.00 H new ATOM 2304 N CYS B 46 1.227 -14.285 0.163 1.00 0.00 N ATOM 2305 CA CYS B 46 0.798 -14.206 -1.222 1.00 0.00 C ATOM 2306 C CYS B 46 0.870 -15.533 -1.953 1.00 0.00 C ATOM 2307 O CYS B 46 0.652 -15.597 -3.175 1.00 0.00 O ATOM 2308 CB CYS B 46 1.537 -13.121 -1.994 1.00 0.00 C ATOM 2309 SG CYS B 46 3.196 -13.493 -2.605 1.00 0.00 S ATOM 0 H CYS B 46 2.204 -14.025 0.297 1.00 0.00 H new ATOM 0 HA CYS B 46 -0.256 -13.930 -1.177 1.00 0.00 H new ATOM 0 HB2 CYS B 46 0.921 -12.842 -2.849 1.00 0.00 H new ATOM 0 HB3 CYS B 46 1.607 -12.243 -1.352 1.00 0.00 H new ATOM 2314 N GLU B 47 1.192 -16.612 -1.248 1.00 0.00 N ATOM 2315 CA GLU B 47 1.291 -17.931 -1.861 1.00 0.00 C ATOM 2316 C GLU B 47 2.247 -17.915 -3.042 1.00 0.00 C ATOM 2317 O GLU B 47 1.962 -18.445 -4.115 1.00 0.00 O ATOM 2318 CB GLU B 47 -0.104 -18.410 -2.297 1.00 0.00 C ATOM 2319 CG GLU B 47 -1.027 -18.705 -1.120 1.00 0.00 C ATOM 2320 CD GLU B 47 -2.482 -18.807 -1.534 1.00 0.00 C ATOM 2321 OE1 GLU B 47 -3.110 -17.748 -1.753 1.00 0.00 O ATOM 2322 OE2 GLU B 47 -2.998 -19.939 -1.640 1.00 0.00 O ATOM 0 H GLU B 47 1.390 -16.598 -0.247 1.00 0.00 H new ATOM 0 HA GLU B 47 1.690 -18.627 -1.123 1.00 0.00 H new ATOM 0 HB2 GLU B 47 -0.562 -17.649 -2.929 1.00 0.00 H new ATOM 0 HB3 GLU B 47 -0.000 -19.309 -2.904 1.00 0.00 H new ATOM 0 HG2 GLU B 47 -0.721 -19.638 -0.648 1.00 0.00 H new ATOM 0 HG3 GLU B 47 -0.920 -17.919 -0.372 1.00 0.00 H new ATOM 2329 N GLY B 48 3.402 -17.265 -2.869 1.00 0.00 N ATOM 2330 CA GLY B 48 4.458 -17.208 -3.803 1.00 0.00 C ATOM 2331 C GLY B 48 4.253 -16.501 -5.106 1.00 0.00 C ATOM 2332 O GLY B 48 4.725 -16.999 -6.157 1.00 0.00 O ATOM 0 H GLY B 48 3.606 -16.745 -2.015 1.00 0.00 H new ATOM 0 HA2 GLY B 48 5.308 -16.739 -3.307 1.00 0.00 H new ATOM 0 HA3 GLY B 48 4.749 -18.234 -4.030 1.00 0.00 H new ATOM 2336 N THR B 49 3.713 -15.289 -5.120 1.00 0.00 N ATOM 2337 CA THR B 49 3.534 -14.525 -6.349 1.00 0.00 C ATOM 2338 C THR B 49 4.306 -13.221 -6.320 1.00 0.00 C ATOM 2339 O THR B 49 4.016 -12.282 -7.070 1.00 0.00 O ATOM 2340 CB THR B 49 2.036 -14.209 -6.603 1.00 0.00 C ATOM 2341 OG1 THR B 49 1.549 -13.414 -5.518 1.00 0.00 O ATOM 2342 CG2 THR B 49 1.221 -15.477 -6.730 1.00 0.00 C ATOM 0 H THR B 49 3.387 -14.808 -4.282 1.00 0.00 H new ATOM 0 HA THR B 49 3.919 -15.149 -7.156 1.00 0.00 H new ATOM 0 HB THR B 49 1.940 -13.664 -7.542 1.00 0.00 H new ATOM 0 HG1 THR B 49 2.201 -13.425 -4.786 1.00 0.00 H new ATOM 0 HG21 THR B 49 0.176 -15.222 -6.907 1.00 0.00 H new ATOM 0 HG22 THR B 49 1.597 -16.069 -7.565 1.00 0.00 H new ATOM 0 HG23 THR B 49 1.302 -16.055 -5.810 1.00 0.00 H new ATOM 2350 N LEU B 50 5.254 -13.103 -5.382 1.00 0.00 N ATOM 2351 CA LEU B 50 6.052 -11.903 -5.247 1.00 0.00 C ATOM 2352 C LEU B 50 5.224 -10.664 -4.982 1.00 0.00 C ATOM 2353 O LEU B 50 5.512 -9.574 -5.491 1.00 0.00 O ATOM 2354 CB LEU B 50 6.966 -11.719 -6.461 1.00 0.00 C ATOM 2355 CG LEU B 50 8.045 -12.810 -6.629 1.00 0.00 C ATOM 2356 CD1 LEU B 50 8.944 -12.493 -7.807 1.00 0.00 C ATOM 2357 CD2 LEU B 50 8.877 -12.905 -5.343 1.00 0.00 C ATOM 0 H LEU B 50 5.479 -13.834 -4.708 1.00 0.00 H new ATOM 0 HA LEU B 50 6.675 -12.039 -4.363 1.00 0.00 H new ATOM 0 HB2 LEU B 50 6.351 -11.694 -7.361 1.00 0.00 H new ATOM 0 HB3 LEU B 50 7.458 -10.750 -6.384 1.00 0.00 H new ATOM 0 HG LEU B 50 7.557 -13.766 -6.819 1.00 0.00 H new ATOM 0 HD11 LEU B 50 9.698 -13.273 -7.909 1.00 0.00 H new ATOM 0 HD12 LEU B 50 8.347 -12.444 -8.718 1.00 0.00 H new ATOM 0 HD13 LEU B 50 9.435 -11.534 -7.643 1.00 0.00 H new ATOM 0 HD21 LEU B 50 9.640 -13.675 -5.459 1.00 0.00 H new ATOM 0 HD22 LEU B 50 9.356 -11.946 -5.148 1.00 0.00 H new ATOM 0 HD23 LEU B 50 8.227 -13.162 -4.507 1.00 0.00 H new ATOM 2369 N ALA B 51 4.271 -10.780 -4.060 1.00 0.00 N ATOM 2370 CA ALA B 51 3.449 -9.633 -3.659 1.00 0.00 C ATOM 2371 C ALA B 51 3.498 -9.462 -2.147 1.00 0.00 C ATOM 2372 O ALA B 51 2.632 -8.830 -1.549 1.00 0.00 O ATOM 2373 CB ALA B 51 2.005 -9.852 -4.111 1.00 0.00 C ATOM 0 H ALA B 51 4.047 -11.650 -3.577 1.00 0.00 H new ATOM 0 HA ALA B 51 3.840 -8.731 -4.130 1.00 0.00 H new ATOM 0 HB1 ALA B 51 1.397 -8.998 -3.812 1.00 0.00 H new ATOM 0 HB2 ALA B 51 1.975 -9.957 -5.196 1.00 0.00 H new ATOM 0 HB3 ALA B 51 1.612 -10.757 -3.648 1.00 0.00 H new ATOM 2379 N CYS B 52 4.492 -10.111 -1.516 1.00 0.00 N ATOM 2380 CA CYS B 52 4.586 -10.012 -0.044 1.00 0.00 C ATOM 2381 C CYS B 52 6.027 -10.221 0.399 1.00 0.00 C ATOM 2382 O CYS B 52 6.880 -10.449 -0.456 1.00 0.00 O ATOM 2383 CB CYS B 52 3.639 -11.006 0.601 1.00 0.00 C ATOM 2384 SG CYS B 52 4.244 -12.694 0.825 1.00 0.00 S ATOM 0 H CYS B 52 5.207 -10.681 -1.969 1.00 0.00 H new ATOM 0 HA CYS B 52 4.286 -9.015 0.280 1.00 0.00 H new ATOM 0 HB2 CYS B 52 3.354 -10.616 1.578 1.00 0.00 H new ATOM 0 HB3 CYS B 52 2.732 -11.049 -0.002 1.00 0.00 H new ATOM 2389 N SER B 53 6.320 -9.980 1.690 1.00 0.00 N ATOM 2390 CA SER B 53 7.724 -10.214 2.117 1.00 0.00 C ATOM 2391 C SER B 53 7.786 -11.270 3.204 1.00 0.00 C ATOM 2392 O SER B 53 8.835 -11.445 3.838 1.00 0.00 O ATOM 2393 CB SER B 53 8.343 -8.903 2.588 1.00 0.00 C ATOM 2394 OG SER B 53 7.642 -8.340 3.675 1.00 0.00 O ATOM 0 H SER B 53 5.672 -9.652 2.406 1.00 0.00 H new ATOM 0 HA SER B 53 8.297 -10.584 1.267 1.00 0.00 H new ATOM 0 HB2 SER B 53 9.379 -9.077 2.878 1.00 0.00 H new ATOM 0 HB3 SER B 53 8.358 -8.193 1.761 1.00 0.00 H new ATOM 0 HG SER B 53 7.511 -7.382 3.518 1.00 0.00 H new ATOM 2400 N THR B 54 6.696 -11.991 3.435 1.00 0.00 N ATOM 2401 CA THR B 54 6.576 -12.897 4.547 1.00 0.00 C ATOM 2402 C THR B 54 7.377 -14.175 4.416 1.00 0.00 C ATOM 2403 O THR B 54 7.496 -14.912 5.404 1.00 0.00 O ATOM 2404 CB THR B 54 5.091 -13.301 4.812 1.00 0.00 C ATOM 2405 OG1 THR B 54 4.642 -14.124 3.719 1.00 0.00 O ATOM 2406 CG2 THR B 54 4.226 -12.045 4.861 1.00 0.00 C ATOM 0 H THR B 54 5.866 -11.955 2.843 1.00 0.00 H new ATOM 0 HA THR B 54 6.985 -12.325 5.380 1.00 0.00 H new ATOM 0 HB THR B 54 5.015 -13.839 5.757 1.00 0.00 H new ATOM 0 HG1 THR B 54 4.561 -13.577 2.910 1.00 0.00 H new ATOM 0 HG21 THR B 54 3.189 -12.325 5.046 1.00 0.00 H new ATOM 0 HG22 THR B 54 4.575 -11.394 5.663 1.00 0.00 H new ATOM 0 HG23 THR B 54 4.296 -11.518 3.909 1.00 0.00 H new ATOM 2414 N CYS B 55 7.859 -14.513 3.229 1.00 0.00 N ATOM 2415 CA CYS B 55 8.618 -15.722 3.018 1.00 0.00 C ATOM 2416 C CYS B 55 10.123 -15.438 3.015 1.00 0.00 C ATOM 2417 O CYS B 55 10.930 -16.302 2.695 1.00 0.00 O ATOM 2418 CB CYS B 55 8.245 -16.345 1.641 1.00 0.00 C ATOM 2419 SG CYS B 55 8.762 -15.309 0.274 1.00 0.00 S ATOM 0 H CYS B 55 7.731 -13.951 2.388 1.00 0.00 H new ATOM 0 HA CYS B 55 8.379 -16.407 3.832 1.00 0.00 H new ATOM 0 HB2 CYS B 55 8.711 -17.326 1.549 1.00 0.00 H new ATOM 0 HB3 CYS B 55 7.167 -16.498 1.592 1.00 0.00 H new ATOM 2424 N HIS B 56 10.478 -14.262 3.505 1.00 0.00 N ATOM 2425 CA HIS B 56 11.884 -13.872 3.641 1.00 0.00 C ATOM 2426 C HIS B 56 12.622 -14.859 4.554 1.00 0.00 C ATOM 2427 O HIS B 56 12.195 -15.132 5.666 1.00 0.00 O ATOM 2428 CB HIS B 56 11.936 -12.446 4.182 1.00 0.00 C ATOM 2429 CG HIS B 56 13.259 -11.916 4.613 1.00 0.00 C ATOM 2430 ND1 HIS B 56 13.361 -10.932 5.576 1.00 0.00 N ATOM 2431 CD2 HIS B 56 14.522 -12.185 4.227 1.00 0.00 C ATOM 2432 CE1 HIS B 56 14.638 -10.642 5.784 1.00 0.00 C ATOM 2433 NE2 HIS B 56 15.377 -11.381 4.980 1.00 0.00 N ATOM 0 H HIS B 56 9.814 -13.554 3.818 1.00 0.00 H new ATOM 0 HA HIS B 56 12.385 -13.900 2.674 1.00 0.00 H new ATOM 0 HB2 HIS B 56 11.543 -11.781 3.413 1.00 0.00 H new ATOM 0 HB3 HIS B 56 11.257 -12.385 5.033 1.00 0.00 H new ATOM 0 HD1 HIS B 56 12.574 -10.495 6.055 1.00 0.00 H new ATOM 0 HD2 HIS B 56 14.819 -12.896 3.470 1.00 0.00 H new ATOM 0 HE1 HIS B 56 15.011 -9.920 6.495 1.00 0.00 H new ATOM 2441 N LEU B 57 13.765 -15.347 4.079 1.00 0.00 N ATOM 2442 CA LEU B 57 14.627 -16.222 4.878 1.00 0.00 C ATOM 2443 C LEU B 57 16.073 -15.711 4.780 1.00 0.00 C ATOM 2444 O LEU B 57 16.451 -15.114 3.777 1.00 0.00 O ATOM 2445 CB LEU B 57 14.570 -17.665 4.416 1.00 0.00 C ATOM 2446 CG LEU B 57 13.244 -18.413 4.640 1.00 0.00 C ATOM 2447 CD1 LEU B 57 13.162 -19.647 3.768 1.00 0.00 C ATOM 2448 CD2 LEU B 57 13.063 -18.741 6.113 1.00 0.00 C ATOM 0 H LEU B 57 14.119 -15.152 3.142 1.00 0.00 H new ATOM 0 HA LEU B 57 14.272 -16.197 5.908 1.00 0.00 H new ATOM 0 HB2 LEU B 57 14.798 -17.690 3.350 1.00 0.00 H new ATOM 0 HB3 LEU B 57 15.361 -18.216 4.924 1.00 0.00 H new ATOM 0 HG LEU B 57 12.422 -17.762 4.345 1.00 0.00 H new ATOM 0 HD11 LEU B 57 12.215 -20.156 3.947 1.00 0.00 H new ATOM 0 HD12 LEU B 57 13.226 -19.356 2.719 1.00 0.00 H new ATOM 0 HD13 LEU B 57 13.986 -20.318 4.009 1.00 0.00 H new ATOM 0 HD21 LEU B 57 12.121 -19.270 6.255 1.00 0.00 H new ATOM 0 HD22 LEU B 57 13.887 -19.371 6.449 1.00 0.00 H new ATOM 0 HD23 LEU B 57 13.052 -17.818 6.693 1.00 0.00 H new ATOM 2460 N ILE B 58 16.841 -15.977 5.805 1.00 0.00 N ATOM 2461 CA ILE B 58 18.244 -15.603 5.889 1.00 0.00 C ATOM 2462 C ILE B 58 19.085 -16.899 5.812 1.00 0.00 C ATOM 2463 O ILE B 58 18.827 -17.835 6.580 1.00 0.00 O ATOM 2464 CB ILE B 58 18.526 -14.926 7.260 1.00 0.00 C ATOM 2465 CG1 ILE B 58 17.755 -13.605 7.344 1.00 0.00 C ATOM 2466 CG2 ILE B 58 20.031 -14.698 7.395 1.00 0.00 C ATOM 2467 CD1 ILE B 58 17.560 -13.128 8.781 1.00 0.00 C ATOM 0 H ILE B 58 16.506 -16.473 6.631 1.00 0.00 H new ATOM 0 HA ILE B 58 18.494 -14.915 5.081 1.00 0.00 H new ATOM 0 HB ILE B 58 18.193 -15.564 8.078 1.00 0.00 H new ATOM 0 HG12 ILE B 58 18.290 -12.840 6.781 1.00 0.00 H new ATOM 0 HG13 ILE B 58 16.781 -13.727 6.870 1.00 0.00 H new ATOM 0 HG21 ILE B 58 20.243 -14.223 8.353 1.00 0.00 H new ATOM 0 HG22 ILE B 58 20.550 -15.655 7.342 1.00 0.00 H new ATOM 0 HG23 ILE B 58 20.375 -14.053 6.587 1.00 0.00 H new ATOM 0 HD11 ILE B 58 17.008 -12.188 8.781 1.00 0.00 H new ATOM 0 HD12 ILE B 58 17.000 -13.878 9.340 1.00 0.00 H new ATOM 0 HD13 ILE B 58 18.533 -12.977 9.249 1.00 0.00 H new ATOM 2479 N PHE B 59 19.926 -16.975 4.796 1.00 0.00 N ATOM 2480 CA PHE B 59 20.639 -18.204 4.467 1.00 0.00 C ATOM 2481 C PHE B 59 22.069 -18.203 4.997 1.00 0.00 C ATOM 2482 O PHE B 59 22.636 -17.144 5.259 1.00 0.00 O ATOM 2483 CB PHE B 59 20.730 -18.264 2.890 1.00 0.00 C ATOM 2484 CG PHE B 59 19.361 -18.578 2.316 1.00 0.00 C ATOM 2485 CD1 PHE B 59 18.426 -17.580 2.141 1.00 0.00 C ATOM 2486 CD2 PHE B 59 19.009 -19.891 2.048 1.00 0.00 C ATOM 2487 CE1 PHE B 59 17.154 -17.873 1.690 1.00 0.00 C ATOM 2488 CE2 PHE B 59 17.734 -20.192 1.590 1.00 0.00 C ATOM 2489 CZ PHE B 59 16.817 -19.183 1.398 1.00 0.00 C ATOM 0 H PHE B 59 20.136 -16.193 4.176 1.00 0.00 H new ATOM 0 HA PHE B 59 20.109 -19.047 4.911 1.00 0.00 H new ATOM 0 HB2 PHE B 59 21.090 -17.312 2.499 1.00 0.00 H new ATOM 0 HB3 PHE B 59 21.447 -19.026 2.585 1.00 0.00 H new ATOM 0 HD1 PHE B 59 18.692 -16.556 2.359 1.00 0.00 H new ATOM 0 HD2 PHE B 59 19.729 -20.682 2.196 1.00 0.00 H new ATOM 0 HE1 PHE B 59 16.427 -17.084 1.566 1.00 0.00 H new ATOM 0 HE2 PHE B 59 17.461 -21.217 1.384 1.00 0.00 H new ATOM 0 HZ PHE B 59 15.833 -19.414 1.019 1.00 0.00 H new ATOM 2499 N GLU B 60 22.648 -19.405 5.119 1.00 0.00 N ATOM 2500 CA GLU B 60 24.098 -19.499 5.391 1.00 0.00 C ATOM 2501 C GLU B 60 24.857 -18.919 4.195 1.00 0.00 C ATOM 2502 O GLU B 60 24.449 -19.139 3.048 1.00 0.00 O ATOM 2503 CB GLU B 60 24.510 -20.948 5.591 1.00 0.00 C ATOM 2504 CG GLU B 60 23.887 -21.632 6.809 1.00 0.00 C ATOM 2505 CD GLU B 60 24.263 -23.108 6.856 1.00 0.00 C ATOM 2506 OE1 GLU B 60 25.493 -23.409 6.862 1.00 0.00 O ATOM 2507 OE2 GLU B 60 23.360 -23.949 6.893 1.00 0.00 O ATOM 0 H GLU B 60 22.161 -20.298 5.038 1.00 0.00 H new ATOM 0 HA GLU B 60 24.331 -18.943 6.299 1.00 0.00 H new ATOM 0 HB2 GLU B 60 24.242 -21.513 4.698 1.00 0.00 H new ATOM 0 HB3 GLU B 60 25.595 -20.993 5.683 1.00 0.00 H new ATOM 0 HG2 GLU B 60 24.224 -21.138 7.720 1.00 0.00 H new ATOM 0 HG3 GLU B 60 22.802 -21.530 6.773 1.00 0.00 H new ATOM 2514 N GLN B 61 25.997 -18.283 4.444 1.00 0.00 N ATOM 2515 CA GLN B 61 26.728 -17.635 3.345 1.00 0.00 C ATOM 2516 C GLN B 61 27.104 -18.588 2.227 1.00 0.00 C ATOM 2517 O GLN B 61 26.870 -18.263 1.038 1.00 0.00 O ATOM 2518 CB GLN B 61 27.956 -16.892 3.859 1.00 0.00 C ATOM 2519 CG GLN B 61 28.853 -16.347 2.753 1.00 0.00 C ATOM 2520 CD GLN B 61 28.210 -15.234 1.954 1.00 0.00 C ATOM 2521 OE1 GLN B 61 27.381 -14.468 2.450 1.00 0.00 O ATOM 2522 NE2 GLN B 61 28.599 -15.116 0.687 1.00 0.00 N ATOM 0 H GLN B 61 26.430 -18.199 5.364 1.00 0.00 H new ATOM 0 HA GLN B 61 26.036 -16.912 2.913 1.00 0.00 H new ATOM 0 HB2 GLN B 61 27.631 -16.065 4.491 1.00 0.00 H new ATOM 0 HB3 GLN B 61 28.539 -17.564 4.489 1.00 0.00 H new ATOM 0 HG2 GLN B 61 29.779 -15.980 3.194 1.00 0.00 H new ATOM 0 HG3 GLN B 61 29.122 -17.160 2.079 1.00 0.00 H new ATOM 0 HE21 GLN B 61 29.287 -15.764 0.302 1.00 0.00 H new ATOM 0 HE22 GLN B 61 28.210 -14.378 0.101 1.00 0.00 H new ATOM 2531 N HIS B 62 27.577 -19.775 2.530 1.00 0.00 N ATOM 2532 CA HIS B 62 28.046 -20.695 1.477 1.00 0.00 C ATOM 2533 C HIS B 62 26.902 -21.193 0.620 1.00 0.00 C ATOM 2534 O HIS B 62 27.072 -21.566 -0.552 1.00 0.00 O ATOM 2535 CB HIS B 62 28.852 -21.822 2.118 1.00 0.00 C ATOM 2536 CG HIS B 62 28.006 -22.833 2.827 1.00 0.00 C ATOM 2537 ND1 HIS B 62 27.538 -23.958 2.193 1.00 0.00 N ATOM 2538 CD2 HIS B 62 27.534 -22.888 4.089 1.00 0.00 C ATOM 2539 CE1 HIS B 62 26.824 -24.681 3.048 1.00 0.00 C ATOM 2540 NE2 HIS B 62 26.794 -24.028 4.209 1.00 0.00 N ATOM 0 H HIS B 62 27.654 -20.138 3.480 1.00 0.00 H new ATOM 0 HA HIS B 62 28.704 -20.160 0.792 1.00 0.00 H new ATOM 0 HB2 HIS B 62 29.435 -22.325 1.347 1.00 0.00 H new ATOM 0 HB3 HIS B 62 29.562 -21.393 2.826 1.00 0.00 H new ATOM 0 HD2 HIS B 62 27.710 -22.159 4.866 1.00 0.00 H new ATOM 0 HE1 HIS B 62 26.352 -25.630 2.839 1.00 0.00 H new ATOM 0 HE2 HIS B 62 26.300 -24.330 5.048 1.00 0.00 H new ATOM 2548 N ILE B 63 25.704 -21.266 1.197 1.00 0.00 N ATOM 2549 CA ILE B 63 24.490 -21.581 0.458 1.00 0.00 C ATOM 2550 C ILE B 63 24.058 -20.372 -0.364 1.00 0.00 C ATOM 2551 O ILE B 63 23.891 -20.466 -1.587 1.00 0.00 O ATOM 2552 CB ILE B 63 23.351 -21.990 1.410 1.00 0.00 C ATOM 2553 CG1 ILE B 63 23.649 -23.295 2.131 1.00 0.00 C ATOM 2554 CG2 ILE B 63 22.032 -22.101 0.644 1.00 0.00 C ATOM 2555 CD1 ILE B 63 23.905 -24.483 1.220 1.00 0.00 C ATOM 0 H ILE B 63 25.551 -21.107 2.193 1.00 0.00 H new ATOM 0 HA ILE B 63 24.703 -22.420 -0.204 1.00 0.00 H new ATOM 0 HB ILE B 63 23.265 -21.210 2.166 1.00 0.00 H new ATOM 0 HG12 ILE B 63 24.521 -23.150 2.769 1.00 0.00 H new ATOM 0 HG13 ILE B 63 22.810 -23.531 2.786 1.00 0.00 H new ATOM 0 HG21 ILE B 63 21.236 -22.391 1.330 1.00 0.00 H new ATOM 0 HG22 ILE B 63 21.790 -21.138 0.194 1.00 0.00 H new ATOM 0 HG23 ILE B 63 22.128 -22.853 -0.139 1.00 0.00 H new ATOM 0 HD11 ILE B 63 24.108 -25.367 1.824 1.00 0.00 H new ATOM 0 HD12 ILE B 63 23.027 -24.661 0.599 1.00 0.00 H new ATOM 0 HD13 ILE B 63 24.764 -24.274 0.582 1.00 0.00 H new ATOM 2567 N PHE B 64 23.953 -19.207 0.277 1.00 0.00 N ATOM 2568 CA PHE B 64 23.533 -17.982 -0.375 1.00 0.00 C ATOM 2569 C PHE B 64 24.277 -17.688 -1.664 1.00 0.00 C ATOM 2570 O PHE B 64 23.695 -17.154 -2.623 1.00 0.00 O ATOM 2571 CB PHE B 64 23.645 -16.783 0.571 1.00 0.00 C ATOM 2572 CG PHE B 64 23.227 -15.465 0.013 1.00 0.00 C ATOM 2573 CD1 PHE B 64 21.886 -15.119 -0.089 1.00 0.00 C ATOM 2574 CD2 PHE B 64 24.180 -14.539 -0.418 1.00 0.00 C ATOM 2575 CE1 PHE B 64 21.501 -13.895 -0.600 1.00 0.00 C ATOM 2576 CE2 PHE B 64 23.797 -13.331 -0.971 1.00 0.00 C ATOM 2577 CZ PHE B 64 22.460 -13.001 -1.044 1.00 0.00 C ATOM 0 H PHE B 64 24.160 -19.094 1.269 1.00 0.00 H new ATOM 0 HA PHE B 64 22.489 -18.143 -0.642 1.00 0.00 H new ATOM 0 HB2 PHE B 64 23.043 -16.987 1.456 1.00 0.00 H new ATOM 0 HB3 PHE B 64 24.681 -16.703 0.902 1.00 0.00 H new ATOM 0 HD1 PHE B 64 21.131 -15.819 0.237 1.00 0.00 H new ATOM 0 HD2 PHE B 64 25.230 -14.770 -0.318 1.00 0.00 H new ATOM 0 HE1 PHE B 64 20.454 -13.636 -0.653 1.00 0.00 H new ATOM 0 HE2 PHE B 64 24.544 -12.647 -1.345 1.00 0.00 H new ATOM 0 HZ PHE B 64 22.161 -12.045 -1.448 1.00 0.00 H new ATOM 2587 N GLU B 65 25.598 -17.845 -1.660 1.00 0.00 N ATOM 2588 CA GLU B 65 26.411 -17.449 -2.794 1.00 0.00 C ATOM 2589 C GLU B 65 26.220 -18.313 -4.017 1.00 0.00 C ATOM 2590 O GLU B 65 26.660 -17.919 -5.105 1.00 0.00 O ATOM 2591 CB GLU B 65 27.878 -17.310 -2.422 1.00 0.00 C ATOM 2592 CG GLU B 65 28.556 -18.560 -1.914 1.00 0.00 C ATOM 2593 CD GLU B 65 29.921 -18.278 -1.306 1.00 0.00 C ATOM 2594 OE1 GLU B 65 30.219 -17.103 -1.023 1.00 0.00 O ATOM 2595 OE2 GLU B 65 30.689 -19.252 -1.109 1.00 0.00 O ATOM 0 H GLU B 65 26.123 -18.244 -0.882 1.00 0.00 H new ATOM 0 HA GLU B 65 26.047 -16.462 -3.077 1.00 0.00 H new ATOM 0 HB2 GLU B 65 28.422 -16.956 -3.298 1.00 0.00 H new ATOM 0 HB3 GLU B 65 27.967 -16.537 -1.658 1.00 0.00 H new ATOM 0 HG2 GLU B 65 27.921 -19.036 -1.167 1.00 0.00 H new ATOM 0 HG3 GLU B 65 28.667 -19.268 -2.735 1.00 0.00 H new ATOM 2602 N LYS B 66 25.546 -19.455 -3.906 1.00 0.00 N ATOM 2603 CA LYS B 66 25.343 -20.325 -5.070 1.00 0.00 C ATOM 2604 C LYS B 66 23.875 -20.427 -5.450 1.00 0.00 C ATOM 2605 O LYS B 66 23.466 -21.329 -6.193 1.00 0.00 O ATOM 2606 CB LYS B 66 25.923 -21.714 -4.807 1.00 0.00 C ATOM 2607 CG LYS B 66 27.368 -21.702 -4.330 1.00 0.00 C ATOM 2608 CD LYS B 66 28.312 -21.202 -5.412 1.00 0.00 C ATOM 2609 CE LYS B 66 29.417 -22.225 -5.678 1.00 0.00 C ATOM 2610 NZ LYS B 66 28.827 -23.582 -5.937 1.00 0.00 N ATOM 0 H LYS B 66 25.135 -19.799 -3.038 1.00 0.00 H new ATOM 0 HA LYS B 66 25.870 -19.874 -5.911 1.00 0.00 H new ATOM 0 HB2 LYS B 66 25.309 -22.217 -4.060 1.00 0.00 H new ATOM 0 HB3 LYS B 66 25.858 -22.303 -5.722 1.00 0.00 H new ATOM 0 HG2 LYS B 66 27.455 -21.067 -3.449 1.00 0.00 H new ATOM 0 HG3 LYS B 66 27.660 -22.708 -4.028 1.00 0.00 H new ATOM 0 HD2 LYS B 66 27.755 -21.014 -6.330 1.00 0.00 H new ATOM 0 HD3 LYS B 66 28.753 -20.253 -5.107 1.00 0.00 H new ATOM 0 HE2 LYS B 66 30.012 -21.911 -6.535 1.00 0.00 H new ATOM 0 HE3 LYS B 66 30.091 -22.272 -4.822 1.00 0.00 H new ATOM 0 HZ1 LYS B 66 29.393 -24.075 -6.656 1.00 0.00 H new ATOM 0 HZ2 LYS B 66 28.828 -24.135 -5.056 1.00 0.00 H new ATOM 0 HZ3 LYS B 66 27.850 -23.477 -6.278 1.00 0.00 H new ATOM 2624 N LEU B 67 23.062 -19.539 -4.885 1.00 0.00 N ATOM 2625 CA LEU B 67 21.634 -19.526 -5.228 1.00 0.00 C ATOM 2626 C LEU B 67 21.446 -18.943 -6.623 1.00 0.00 C ATOM 2627 O LEU B 67 22.324 -18.232 -7.133 1.00 0.00 O ATOM 2628 CB LEU B 67 20.861 -18.697 -4.188 1.00 0.00 C ATOM 2629 CG LEU B 67 20.875 -19.286 -2.758 1.00 0.00 C ATOM 2630 CD1 LEU B 67 20.117 -18.374 -1.809 1.00 0.00 C ATOM 2631 CD2 LEU B 67 20.243 -20.677 -2.760 1.00 0.00 C ATOM 0 H LEU B 67 23.351 -18.835 -4.206 1.00 0.00 H new ATOM 0 HA LEU B 67 21.247 -20.545 -5.221 1.00 0.00 H new ATOM 0 HB2 LEU B 67 21.282 -17.692 -4.157 1.00 0.00 H new ATOM 0 HB3 LEU B 67 19.826 -18.599 -4.517 1.00 0.00 H new ATOM 0 HG LEU B 67 21.908 -19.365 -2.420 1.00 0.00 H new ATOM 0 HD11 LEU B 67 20.133 -18.799 -0.805 1.00 0.00 H new ATOM 0 HD12 LEU B 67 20.588 -17.391 -1.795 1.00 0.00 H new ATOM 0 HD13 LEU B 67 19.085 -18.277 -2.145 1.00 0.00 H new ATOM 0 HD21 LEU B 67 20.257 -21.084 -1.749 1.00 0.00 H new ATOM 0 HD22 LEU B 67 19.213 -20.608 -3.109 1.00 0.00 H new ATOM 0 HD23 LEU B 67 20.808 -21.332 -3.423 1.00 0.00 H new ATOM 2643 N GLU B 68 20.331 -19.266 -7.252 1.00 0.00 N ATOM 2644 CA GLU B 68 20.023 -18.731 -8.585 1.00 0.00 C ATOM 2645 C GLU B 68 19.997 -17.209 -8.549 1.00 0.00 C ATOM 2646 O GLU B 68 19.524 -16.606 -7.573 1.00 0.00 O ATOM 2647 CB GLU B 68 18.600 -19.240 -8.955 1.00 0.00 C ATOM 2648 CG GLU B 68 17.635 -18.887 -7.811 1.00 0.00 C ATOM 2649 CD GLU B 68 17.292 -20.082 -6.955 1.00 0.00 C ATOM 2650 OE1 GLU B 68 18.123 -20.572 -6.162 1.00 0.00 O ATOM 2651 OE2 GLU B 68 16.109 -20.512 -7.085 1.00 0.00 O ATOM 0 H GLU B 68 19.621 -19.892 -6.872 1.00 0.00 H new ATOM 0 HA GLU B 68 20.774 -19.052 -9.307 1.00 0.00 H new ATOM 0 HB2 GLU B 68 18.265 -18.782 -9.886 1.00 0.00 H new ATOM 0 HB3 GLU B 68 18.615 -20.318 -9.117 1.00 0.00 H new ATOM 0 HG2 GLU B 68 18.084 -18.114 -7.187 1.00 0.00 H new ATOM 0 HG3 GLU B 68 16.719 -18.468 -8.228 1.00 0.00 H new ATOM 2658 N ALA B 69 20.496 -16.577 -9.597 1.00 0.00 N ATOM 2659 CA ALA B 69 20.555 -15.125 -9.685 1.00 0.00 C ATOM 2660 C ALA B 69 19.207 -14.507 -9.315 1.00 0.00 C ATOM 2661 O ALA B 69 18.180 -14.903 -9.879 1.00 0.00 O ATOM 2662 CB ALA B 69 20.915 -14.705 -11.115 1.00 0.00 C ATOM 0 H ALA B 69 20.873 -17.056 -10.414 1.00 0.00 H new ATOM 0 HA ALA B 69 21.315 -14.772 -8.988 1.00 0.00 H new ATOM 0 HB1 ALA B 69 20.958 -13.617 -11.175 1.00 0.00 H new ATOM 0 HB2 ALA B 69 21.886 -15.122 -11.383 1.00 0.00 H new ATOM 0 HB3 ALA B 69 20.158 -15.077 -11.805 1.00 0.00 H new ATOM 2668 N ILE B 70 19.233 -13.455 -8.505 1.00 0.00 N ATOM 2669 CA ILE B 70 17.978 -12.830 -8.082 1.00 0.00 C ATOM 2670 C ILE B 70 17.362 -12.039 -9.237 1.00 0.00 C ATOM 2671 O ILE B 70 18.075 -11.325 -9.944 1.00 0.00 O ATOM 2672 CB ILE B 70 18.160 -11.931 -6.862 1.00 0.00 C ATOM 2673 CG1 ILE B 70 16.808 -11.377 -6.385 1.00 0.00 C ATOM 2674 CG2 ILE B 70 19.124 -10.790 -7.130 1.00 0.00 C ATOM 2675 CD1 ILE B 70 16.822 -10.977 -4.912 1.00 0.00 C ATOM 0 H ILE B 70 20.080 -13.024 -8.135 1.00 0.00 H new ATOM 0 HA ILE B 70 17.300 -13.633 -7.793 1.00 0.00 H new ATOM 0 HB ILE B 70 18.590 -12.550 -6.075 1.00 0.00 H new ATOM 0 HG12 ILE B 70 16.541 -10.510 -6.990 1.00 0.00 H new ATOM 0 HG13 ILE B 70 16.035 -12.128 -6.546 1.00 0.00 H new ATOM 0 HG21 ILE B 70 19.221 -10.178 -6.233 1.00 0.00 H new ATOM 0 HG22 ILE B 70 20.099 -11.194 -7.401 1.00 0.00 H new ATOM 0 HG23 ILE B 70 18.745 -10.178 -7.948 1.00 0.00 H new ATOM 0 HD11 ILE B 70 15.842 -10.593 -4.630 1.00 0.00 H new ATOM 0 HD12 ILE B 70 17.060 -11.848 -4.301 1.00 0.00 H new ATOM 0 HD13 ILE B 70 17.574 -10.205 -4.752 1.00 0.00 H new ATOM 2687 N THR B 71 16.054 -12.147 -9.392 1.00 0.00 N ATOM 2688 CA THR B 71 15.360 -11.377 -10.435 1.00 0.00 C ATOM 2689 C THR B 71 14.967 -10.006 -9.883 1.00 0.00 C ATOM 2690 O THR B 71 14.801 -9.824 -8.678 1.00 0.00 O ATOM 2691 CB THR B 71 14.088 -12.078 -10.918 1.00 0.00 C ATOM 2692 OG1 THR B 71 13.191 -12.225 -9.796 1.00 0.00 O ATOM 2693 CG2 THR B 71 14.367 -13.427 -11.528 1.00 0.00 C ATOM 0 H THR B 71 15.452 -12.745 -8.826 1.00 0.00 H new ATOM 0 HA THR B 71 16.047 -11.282 -11.276 1.00 0.00 H new ATOM 0 HB THR B 71 13.639 -11.465 -11.700 1.00 0.00 H new ATOM 0 HG1 THR B 71 12.370 -12.671 -10.090 1.00 0.00 H new ATOM 0 HG21 THR B 71 13.430 -13.880 -11.853 1.00 0.00 H new ATOM 0 HG22 THR B 71 15.030 -13.309 -12.385 1.00 0.00 H new ATOM 0 HG23 THR B 71 14.843 -14.070 -10.787 1.00 0.00 H new ATOM 2701 N ASP B 72 14.685 -9.079 -10.804 1.00 0.00 N ATOM 2702 CA ASP B 72 14.273 -7.733 -10.393 1.00 0.00 C ATOM 2703 C ASP B 72 12.964 -7.797 -9.616 1.00 0.00 C ATOM 2704 O ASP B 72 12.734 -6.991 -8.698 1.00 0.00 O ATOM 2705 CB ASP B 72 14.111 -6.847 -11.634 1.00 0.00 C ATOM 2706 CG ASP B 72 15.427 -6.292 -12.145 1.00 0.00 C ATOM 2707 OD1 ASP B 72 16.469 -6.433 -11.469 1.00 0.00 O ATOM 2708 OD2 ASP B 72 15.412 -5.672 -13.236 1.00 0.00 O ATOM 0 H ASP B 72 14.732 -9.228 -11.812 1.00 0.00 H new ATOM 0 HA ASP B 72 15.038 -7.306 -9.745 1.00 0.00 H new ATOM 0 HB2 ASP B 72 13.635 -7.425 -12.426 1.00 0.00 H new ATOM 0 HB3 ASP B 72 13.442 -6.020 -11.398 1.00 0.00 H new ATOM 2713 N GLU B 73 12.067 -8.694 -10.017 1.00 0.00 N ATOM 2714 CA GLU B 73 10.779 -8.803 -9.349 1.00 0.00 C ATOM 2715 C GLU B 73 10.958 -9.192 -7.887 1.00 0.00 C ATOM 2716 O GLU B 73 10.391 -8.557 -6.986 1.00 0.00 O ATOM 2717 CB GLU B 73 9.834 -9.778 -10.053 1.00 0.00 C ATOM 2718 CG GLU B 73 8.419 -9.716 -9.512 1.00 0.00 C ATOM 2719 CD GLU B 73 7.381 -10.463 -10.296 1.00 0.00 C ATOM 2720 OE1 GLU B 73 7.712 -11.387 -11.073 1.00 0.00 O ATOM 2721 OE2 GLU B 73 6.174 -10.140 -10.116 1.00 0.00 O ATOM 0 H GLU B 73 12.207 -9.345 -10.789 1.00 0.00 H new ATOM 0 HA GLU B 73 10.315 -7.818 -9.398 1.00 0.00 H new ATOM 0 HB2 GLU B 73 9.820 -9.557 -11.120 1.00 0.00 H new ATOM 0 HB3 GLU B 73 10.217 -10.793 -9.942 1.00 0.00 H new ATOM 0 HG2 GLU B 73 8.424 -10.103 -8.493 1.00 0.00 H new ATOM 0 HG3 GLU B 73 8.119 -8.670 -9.455 1.00 0.00 H new ATOM 2728 N GLU B 74 11.820 -10.193 -7.647 1.00 0.00 N ATOM 2729 CA GLU B 74 12.075 -10.593 -6.259 1.00 0.00 C ATOM 2730 C GLU B 74 12.702 -9.450 -5.478 1.00 0.00 C ATOM 2731 O GLU B 74 12.246 -9.104 -4.392 1.00 0.00 O ATOM 2732 CB GLU B 74 12.960 -11.837 -6.184 1.00 0.00 C ATOM 2733 CG GLU B 74 13.228 -12.254 -4.741 1.00 0.00 C ATOM 2734 CD GLU B 74 14.142 -13.434 -4.591 1.00 0.00 C ATOM 2735 OE1 GLU B 74 14.381 -14.193 -5.546 1.00 0.00 O ATOM 2736 OE2 GLU B 74 14.664 -13.638 -3.462 1.00 0.00 O ATOM 0 H GLU B 74 12.329 -10.717 -8.359 1.00 0.00 H new ATOM 0 HA GLU B 74 11.114 -10.841 -5.809 1.00 0.00 H new ATOM 0 HB2 GLU B 74 12.480 -12.658 -6.717 1.00 0.00 H new ATOM 0 HB3 GLU B 74 13.907 -11.641 -6.688 1.00 0.00 H new ATOM 0 HG2 GLU B 74 13.658 -11.407 -4.206 1.00 0.00 H new ATOM 0 HG3 GLU B 74 12.277 -12.484 -4.261 1.00 0.00 H new ATOM 2743 N ASN B 75 13.699 -8.795 -6.060 1.00 0.00 N ATOM 2744 CA ASN B 75 14.391 -7.694 -5.431 1.00 0.00 C ATOM 2745 C ASN B 75 13.490 -6.566 -4.992 1.00 0.00 C ATOM 2746 O ASN B 75 13.677 -6.010 -3.894 1.00 0.00 O ATOM 2747 CB ASN B 75 15.509 -7.181 -6.348 1.00 0.00 C ATOM 2748 CG ASN B 75 16.620 -6.499 -5.588 1.00 0.00 C ATOM 2749 OD1 ASN B 75 17.157 -7.038 -4.618 1.00 0.00 O ATOM 2750 ND2 ASN B 75 16.977 -5.292 -6.025 1.00 0.00 N ATOM 0 H ASN B 75 14.048 -9.021 -6.991 1.00 0.00 H new ATOM 0 HA ASN B 75 14.822 -8.090 -4.511 1.00 0.00 H new ATOM 0 HB2 ASN B 75 15.921 -8.017 -6.914 1.00 0.00 H new ATOM 0 HB3 ASN B 75 15.088 -6.483 -7.072 1.00 0.00 H new ATOM 0 HD21 ASN B 75 17.721 -4.778 -5.553 1.00 0.00 H new ATOM 0 HD22 ASN B 75 16.507 -4.882 -6.832 1.00 0.00 H new ATOM 2757 N ASP B 76 12.474 -6.220 -5.779 1.00 0.00 N ATOM 2758 CA ASP B 76 11.561 -5.139 -5.441 1.00 0.00 C ATOM 2759 C ASP B 76 10.747 -5.475 -4.190 1.00 0.00 C ATOM 2760 O ASP B 76 10.427 -4.604 -3.392 1.00 0.00 O ATOM 2761 CB ASP B 76 10.572 -4.873 -6.585 1.00 0.00 C ATOM 2762 CG ASP B 76 11.166 -4.182 -7.777 1.00 0.00 C ATOM 2763 OD1 ASP B 76 12.283 -3.624 -7.683 1.00 0.00 O ATOM 2764 OD2 ASP B 76 10.513 -4.204 -8.853 1.00 0.00 O ATOM 0 H ASP B 76 12.264 -6.681 -6.664 1.00 0.00 H new ATOM 0 HA ASP B 76 12.175 -4.256 -5.262 1.00 0.00 H new ATOM 0 HB2 ASP B 76 10.146 -5.823 -6.907 1.00 0.00 H new ATOM 0 HB3 ASP B 76 9.750 -4.268 -6.203 1.00 0.00 H new ATOM 2769 N MET B 77 10.353 -6.744 -4.088 1.00 0.00 N ATOM 2770 CA MET B 77 9.580 -7.204 -2.929 1.00 0.00 C ATOM 2771 C MET B 77 10.511 -7.363 -1.727 1.00 0.00 C ATOM 2772 O MET B 77 10.210 -6.961 -0.625 1.00 0.00 O ATOM 2773 CB MET B 77 8.920 -8.536 -3.248 1.00 0.00 C ATOM 2774 CG MET B 77 7.545 -8.779 -2.783 1.00 0.00 C ATOM 2775 SD MET B 77 6.453 -7.376 -2.652 1.00 0.00 S ATOM 2776 CE MET B 77 6.768 -6.807 -1.004 1.00 0.00 C ATOM 0 H MET B 77 10.551 -7.465 -4.782 1.00 0.00 H new ATOM 0 HA MET B 77 8.808 -6.471 -2.694 1.00 0.00 H new ATOM 0 HB2 MET B 77 8.927 -8.656 -4.331 1.00 0.00 H new ATOM 0 HB3 MET B 77 9.551 -9.323 -2.836 1.00 0.00 H new ATOM 0 HG2 MET B 77 7.085 -9.500 -3.459 1.00 0.00 H new ATOM 0 HG3 MET B 77 7.601 -9.252 -1.803 1.00 0.00 H new ATOM 0 HE1 MET B 77 5.920 -7.055 -0.365 1.00 0.00 H new ATOM 0 HE2 MET B 77 7.667 -7.289 -0.618 1.00 0.00 H new ATOM 0 HE3 MET B 77 6.911 -5.726 -1.013 1.00 0.00 H new ATOM 2786 N LEU B 78 11.707 -7.896 -2.018 1.00 0.00 N ATOM 2787 CA LEU B 78 12.685 -8.140 -0.948 1.00 0.00 C ATOM 2788 C LEU B 78 13.125 -6.852 -0.290 1.00 0.00 C ATOM 2789 O LEU B 78 13.253 -6.773 0.941 1.00 0.00 O ATOM 2790 CB LEU B 78 13.869 -8.928 -1.493 1.00 0.00 C ATOM 2791 CG LEU B 78 14.936 -9.357 -0.475 1.00 0.00 C ATOM 2792 CD1 LEU B 78 14.339 -10.396 0.470 1.00 0.00 C ATOM 2793 CD2 LEU B 78 16.150 -9.917 -1.205 1.00 0.00 C ATOM 0 H LEU B 78 12.014 -8.159 -2.954 1.00 0.00 H new ATOM 0 HA LEU B 78 12.204 -8.737 -0.173 1.00 0.00 H new ATOM 0 HB2 LEU B 78 13.486 -9.823 -1.983 1.00 0.00 H new ATOM 0 HB3 LEU B 78 14.354 -8.326 -2.262 1.00 0.00 H new ATOM 0 HG LEU B 78 15.259 -8.496 0.110 1.00 0.00 H new ATOM 0 HD11 LEU B 78 15.092 -10.704 1.195 1.00 0.00 H new ATOM 0 HD12 LEU B 78 13.487 -9.964 0.994 1.00 0.00 H new ATOM 0 HD13 LEU B 78 14.011 -11.263 -0.103 1.00 0.00 H new ATOM 0 HD21 LEU B 78 16.904 -10.220 -0.478 1.00 0.00 H new ATOM 0 HD22 LEU B 78 15.851 -10.781 -1.799 1.00 0.00 H new ATOM 0 HD23 LEU B 78 16.565 -9.152 -1.861 1.00 0.00 H new ATOM 2805 N ASP B 79 13.209 -5.780 -1.072 1.00 0.00 N ATOM 2806 CA ASP B 79 13.558 -4.456 -0.603 1.00 0.00 C ATOM 2807 C ASP B 79 12.705 -3.987 0.566 1.00 0.00 C ATOM 2808 O ASP B 79 13.156 -3.185 1.384 1.00 0.00 O ATOM 2809 CB ASP B 79 13.441 -3.449 -1.755 1.00 0.00 C ATOM 2810 CG ASP B 79 14.603 -3.469 -2.716 1.00 0.00 C ATOM 2811 OD1 ASP B 79 15.579 -4.222 -2.501 1.00 0.00 O ATOM 2812 OD2 ASP B 79 14.542 -2.718 -3.725 1.00 0.00 O ATOM 0 H ASP B 79 13.030 -5.816 -2.076 1.00 0.00 H new ATOM 0 HA ASP B 79 14.586 -4.514 -0.245 1.00 0.00 H new ATOM 0 HB2 ASP B 79 12.524 -3.652 -2.308 1.00 0.00 H new ATOM 0 HB3 ASP B 79 13.347 -2.446 -1.338 1.00 0.00 H new ATOM 2817 N CYS B 80 11.443 -4.427 0.620 1.00 0.00 N ATOM 2818 CA CYS B 80 10.513 -4.042 1.639 1.00 0.00 C ATOM 2819 C CYS B 80 10.501 -4.943 2.868 1.00 0.00 C ATOM 2820 O CYS B 80 9.761 -4.657 3.820 1.00 0.00 O ATOM 2821 CB CYS B 80 9.102 -4.002 0.997 1.00 0.00 C ATOM 2822 SG CYS B 80 8.053 -5.366 1.628 1.00 0.00 S ATOM 0 H CYS B 80 11.051 -5.072 -0.066 1.00 0.00 H new ATOM 0 HA CYS B 80 10.827 -3.067 2.012 1.00 0.00 H new ATOM 0 HB2 CYS B 80 8.628 -3.045 1.212 1.00 0.00 H new ATOM 0 HB3 CYS B 80 9.190 -4.078 -0.087 1.00 0.00 H new ATOM 2827 N ALA B 81 11.255 -6.030 2.877 1.00 0.00 N ATOM 2828 CA ALA B 81 11.220 -6.960 4.006 1.00 0.00 C ATOM 2829 C ALA B 81 11.802 -6.342 5.271 1.00 0.00 C ATOM 2830 O ALA B 81 12.727 -5.533 5.214 1.00 0.00 O ATOM 2831 CB ALA B 81 12.001 -8.227 3.674 1.00 0.00 C ATOM 0 H ALA B 81 11.894 -6.293 2.127 1.00 0.00 H new ATOM 0 HA ALA B 81 10.172 -7.200 4.187 1.00 0.00 H new ATOM 0 HB1 ALA B 81 11.966 -8.909 4.523 1.00 0.00 H new ATOM 0 HB2 ALA B 81 11.558 -8.709 2.803 1.00 0.00 H new ATOM 0 HB3 ALA B 81 13.038 -7.969 3.458 1.00 0.00 H new ATOM 2837 N TYR B 82 11.318 -6.800 6.412 1.00 0.00 N ATOM 2838 CA TYR B 82 11.887 -6.447 7.706 1.00 0.00 C ATOM 2839 C TYR B 82 13.136 -7.299 7.956 1.00 0.00 C ATOM 2840 O TYR B 82 13.147 -8.475 7.587 1.00 0.00 O ATOM 2841 CB TYR B 82 10.842 -6.777 8.808 1.00 0.00 C ATOM 2842 CG TYR B 82 11.401 -6.671 10.206 1.00 0.00 C ATOM 2843 CD1 TYR B 82 11.436 -5.445 10.866 1.00 0.00 C ATOM 2844 CD2 TYR B 82 11.927 -7.782 10.859 1.00 0.00 C ATOM 2845 CE1 TYR B 82 11.965 -5.339 12.140 1.00 0.00 C ATOM 2846 CE2 TYR B 82 12.461 -7.682 12.132 1.00 0.00 C ATOM 2847 CZ TYR B 82 12.462 -6.458 12.770 1.00 0.00 C ATOM 2848 OH TYR B 82 12.984 -6.345 14.042 1.00 0.00 O ATOM 0 H TYR B 82 10.517 -7.429 6.470 1.00 0.00 H new ATOM 0 HA TYR B 82 12.147 -5.389 7.723 1.00 0.00 H new ATOM 0 HB2 TYR B 82 9.994 -6.100 8.710 1.00 0.00 H new ATOM 0 HB3 TYR B 82 10.463 -7.787 8.650 1.00 0.00 H new ATOM 0 HD1 TYR B 82 11.045 -4.565 10.377 1.00 0.00 H new ATOM 0 HD2 TYR B 82 11.918 -8.741 10.363 1.00 0.00 H new ATOM 0 HE1 TYR B 82 11.988 -4.381 12.639 1.00 0.00 H new ATOM 0 HE2 TYR B 82 12.873 -8.553 12.621 1.00 0.00 H new ATOM 0 HH TYR B 82 13.292 -7.223 14.348 1.00 0.00 H new ATOM 2858 N GLY B 83 14.126 -6.762 8.639 1.00 0.00 N ATOM 2859 CA GLY B 83 15.293 -7.520 9.058 1.00 0.00 C ATOM 2860 C GLY B 83 16.132 -8.056 7.920 1.00 0.00 C ATOM 2861 O GLY B 83 16.718 -9.158 8.043 1.00 0.00 O ATOM 0 H GLY B 83 14.146 -5.782 8.922 1.00 0.00 H new ATOM 0 HA2 GLY B 83 15.918 -6.884 9.686 1.00 0.00 H new ATOM 0 HA3 GLY B 83 14.965 -8.356 9.677 1.00 0.00 H new ATOM 2865 N LEU B 84 16.278 -7.328 6.842 1.00 0.00 N ATOM 2866 CA LEU B 84 17.085 -7.674 5.704 1.00 0.00 C ATOM 2867 C LEU B 84 18.559 -7.848 6.075 1.00 0.00 C ATOM 2868 O LEU B 84 19.096 -7.121 6.920 1.00 0.00 O ATOM 2869 CB LEU B 84 17.000 -6.574 4.635 1.00 0.00 C ATOM 2870 CG LEU B 84 15.936 -6.679 3.569 1.00 0.00 C ATOM 2871 CD1 LEU B 84 16.023 -5.463 2.624 1.00 0.00 C ATOM 2872 CD2 LEU B 84 16.096 -7.956 2.739 1.00 0.00 C ATOM 0 H LEU B 84 15.810 -6.428 6.731 1.00 0.00 H new ATOM 0 HA LEU B 84 16.696 -8.619 5.325 1.00 0.00 H new ATOM 0 HB2 LEU B 84 16.860 -5.623 5.150 1.00 0.00 H new ATOM 0 HB3 LEU B 84 17.967 -6.525 4.133 1.00 0.00 H new ATOM 0 HG LEU B 84 14.969 -6.706 4.070 1.00 0.00 H new ATOM 0 HD11 LEU B 84 15.253 -5.543 1.856 1.00 0.00 H new ATOM 0 HD12 LEU B 84 15.872 -4.547 3.195 1.00 0.00 H new ATOM 0 HD13 LEU B 84 17.005 -5.439 2.152 1.00 0.00 H new ATOM 0 HD21 LEU B 84 15.313 -7.998 1.982 1.00 0.00 H new ATOM 0 HD22 LEU B 84 17.072 -7.954 2.253 1.00 0.00 H new ATOM 0 HD23 LEU B 84 16.017 -8.826 3.391 1.00 0.00 H new ATOM 2884 N THR B 85 19.192 -8.858 5.520 1.00 0.00 N ATOM 2885 CA THR B 85 20.611 -9.103 5.726 1.00 0.00 C ATOM 2886 C THR B 85 21.268 -9.237 4.336 1.00 0.00 C ATOM 2887 O THR B 85 20.563 -9.264 3.335 1.00 0.00 O ATOM 2888 CB THR B 85 20.881 -10.448 6.458 1.00 0.00 C ATOM 2889 OG1 THR B 85 20.490 -11.512 5.581 1.00 0.00 O ATOM 2890 CG2 THR B 85 20.105 -10.543 7.752 1.00 0.00 C ATOM 0 H THR B 85 18.739 -9.538 4.910 1.00 0.00 H new ATOM 0 HA THR B 85 21.005 -8.282 6.325 1.00 0.00 H new ATOM 0 HB THR B 85 21.940 -10.514 6.708 1.00 0.00 H new ATOM 0 HG1 THR B 85 19.647 -11.279 5.139 1.00 0.00 H new ATOM 0 HG21 THR B 85 20.319 -11.496 8.235 1.00 0.00 H new ATOM 0 HG22 THR B 85 20.398 -9.727 8.413 1.00 0.00 H new ATOM 0 HG23 THR B 85 19.038 -10.474 7.542 1.00 0.00 H new ATOM 2898 N ASP B 86 22.576 -9.418 4.333 1.00 0.00 N ATOM 2899 CA ASP B 86 23.317 -9.651 3.103 1.00 0.00 C ATOM 2900 C ASP B 86 23.115 -11.077 2.584 1.00 0.00 C ATOM 2901 O ASP B 86 23.614 -11.421 1.512 1.00 0.00 O ATOM 2902 CB ASP B 86 24.821 -9.437 3.350 1.00 0.00 C ATOM 2903 CG ASP B 86 25.190 -7.979 3.497 1.00 0.00 C ATOM 2904 OD1 ASP B 86 24.321 -7.108 3.267 1.00 0.00 O ATOM 2905 OD2 ASP B 86 26.367 -7.708 3.829 1.00 0.00 O ATOM 0 H ASP B 86 23.152 -9.408 5.175 1.00 0.00 H new ATOM 0 HA ASP B 86 22.943 -8.947 2.360 1.00 0.00 H new ATOM 0 HB2 ASP B 86 25.116 -9.974 4.251 1.00 0.00 H new ATOM 0 HB3 ASP B 86 25.385 -9.868 2.523 1.00 0.00 H new ATOM 2910 N ARG B 87 22.409 -11.900 3.343 1.00 0.00 N ATOM 2911 CA ARG B 87 22.159 -13.289 2.921 1.00 0.00 C ATOM 2912 C ARG B 87 20.665 -13.573 2.829 1.00 0.00 C ATOM 2913 O ARG B 87 20.241 -14.718 3.004 1.00 0.00 O ATOM 2914 CB ARG B 87 22.823 -14.244 3.926 1.00 0.00 C ATOM 2915 CG ARG B 87 24.355 -14.180 3.886 1.00 0.00 C ATOM 2916 CD ARG B 87 24.942 -14.703 5.205 1.00 0.00 C ATOM 2917 NE ARG B 87 24.620 -13.794 6.306 1.00 0.00 N ATOM 2918 CZ ARG B 87 23.892 -14.148 7.357 1.00 0.00 C ATOM 2919 NH1 ARG B 87 23.407 -15.376 7.457 1.00 0.00 N ATOM 2920 NH2 ARG B 87 23.638 -13.270 8.319 1.00 0.00 N ATOM 0 H ARG B 87 22.000 -11.646 4.242 1.00 0.00 H new ATOM 0 HA ARG B 87 22.586 -13.441 1.930 1.00 0.00 H new ATOM 0 HB2 ARG B 87 22.480 -14.001 4.932 1.00 0.00 H new ATOM 0 HB3 ARG B 87 22.501 -15.264 3.717 1.00 0.00 H new ATOM 0 HG2 ARG B 87 24.729 -14.774 3.052 1.00 0.00 H new ATOM 0 HG3 ARG B 87 24.679 -13.153 3.717 1.00 0.00 H new ATOM 0 HD2 ARG B 87 24.546 -15.696 5.418 1.00 0.00 H new ATOM 0 HD3 ARG B 87 26.023 -14.804 5.114 1.00 0.00 H new ATOM 0 HE ARG B 87 24.974 -12.838 6.263 1.00 0.00 H new ATOM 0 HH11 ARG B 87 23.592 -16.059 6.722 1.00 0.00 H new ATOM 0 HH12 ARG B 87 22.848 -15.639 8.269 1.00 0.00 H new ATOM 0 HH21 ARG B 87 24.003 -12.320 8.252 1.00 0.00 H new ATOM 0 HH22 ARG B 87 23.078 -13.545 9.126 1.00 0.00 H new ATOM 2934 N SER B 88 19.874 -12.558 2.503 1.00 0.00 N ATOM 2935 CA SER B 88 18.426 -12.659 2.476 1.00 0.00 C ATOM 2936 C SER B 88 17.867 -12.962 1.094 1.00 0.00 C ATOM 2937 O SER B 88 18.308 -12.360 0.099 1.00 0.00 O ATOM 2938 CB SER B 88 17.821 -11.306 2.941 1.00 0.00 C ATOM 2939 OG SER B 88 18.053 -11.093 4.331 1.00 0.00 O ATOM 0 H SER B 88 20.226 -11.635 2.248 1.00 0.00 H new ATOM 0 HA SER B 88 18.158 -13.485 3.134 1.00 0.00 H new ATOM 0 HB2 SER B 88 18.260 -10.491 2.366 1.00 0.00 H new ATOM 0 HB3 SER B 88 16.749 -11.295 2.742 1.00 0.00 H new ATOM 0 HG SER B 88 17.245 -11.321 4.836 1.00 0.00 H new ATOM 2945 N ARG B 89 16.866 -13.827 1.007 1.00 0.00 N ATOM 2946 CA ARG B 89 16.139 -14.088 -0.224 1.00 0.00 C ATOM 2947 C ARG B 89 14.662 -14.346 0.135 1.00 0.00 C ATOM 2948 O ARG B 89 14.350 -14.655 1.292 1.00 0.00 O ATOM 2949 CB ARG B 89 16.633 -15.305 -1.005 1.00 0.00 C ATOM 2950 CG ARG B 89 17.992 -15.240 -1.641 1.00 0.00 C ATOM 2951 CD ARG B 89 18.118 -14.132 -2.665 1.00 0.00 C ATOM 2952 NE ARG B 89 17.317 -14.442 -3.868 1.00 0.00 N ATOM 2953 CZ ARG B 89 17.785 -15.197 -4.871 1.00 0.00 C ATOM 2954 NH1 ARG B 89 19.023 -15.657 -4.837 1.00 0.00 N ATOM 2955 NH2 ARG B 89 17.012 -15.421 -5.929 1.00 0.00 N ATOM 0 H ARG B 89 16.533 -14.374 1.801 1.00 0.00 H new ATOM 0 HA ARG B 89 16.289 -13.214 -0.858 1.00 0.00 H new ATOM 0 HB2 ARG B 89 16.623 -16.160 -0.329 1.00 0.00 H new ATOM 0 HB3 ARG B 89 15.907 -15.512 -1.792 1.00 0.00 H new ATOM 0 HG2 ARG B 89 18.743 -15.096 -0.864 1.00 0.00 H new ATOM 0 HG3 ARG B 89 18.208 -16.195 -2.120 1.00 0.00 H new ATOM 0 HD2 ARG B 89 17.784 -13.189 -2.232 1.00 0.00 H new ATOM 0 HD3 ARG B 89 19.164 -14.002 -2.942 1.00 0.00 H new ATOM 0 HE ARG B 89 16.371 -14.067 -3.937 1.00 0.00 H new ATOM 0 HH11 ARG B 89 19.627 -15.438 -4.045 1.00 0.00 H new ATOM 0 HH12 ARG B 89 19.375 -16.231 -5.603 1.00 0.00 H new ATOM 0 HH21 ARG B 89 16.075 -15.020 -5.970 1.00 0.00 H new ATOM 0 HH22 ARG B 89 17.356 -15.994 -6.700 1.00 0.00 H new ATOM 2969 N LEU B 90 13.782 -14.229 -0.857 1.00 0.00 N ATOM 2970 CA LEU B 90 12.393 -14.647 -0.637 1.00 0.00 C ATOM 2971 C LEU B 90 12.300 -16.151 -0.848 1.00 0.00 C ATOM 2972 O LEU B 90 12.579 -16.665 -1.946 1.00 0.00 O ATOM 2973 CB LEU B 90 11.427 -13.881 -1.517 1.00 0.00 C ATOM 2974 CG LEU B 90 11.422 -12.357 -1.360 1.00 0.00 C ATOM 2975 CD1 LEU B 90 10.403 -11.734 -2.310 1.00 0.00 C ATOM 2976 CD2 LEU B 90 11.113 -11.948 0.080 1.00 0.00 C ATOM 0 H LEU B 90 13.989 -13.864 -1.787 1.00 0.00 H new ATOM 0 HA LEU B 90 12.101 -14.414 0.387 1.00 0.00 H new ATOM 0 HB2 LEU B 90 11.653 -14.116 -2.557 1.00 0.00 H new ATOM 0 HB3 LEU B 90 10.420 -14.248 -1.319 1.00 0.00 H new ATOM 0 HG LEU B 90 12.418 -11.991 -1.609 1.00 0.00 H new ATOM 0 HD11 LEU B 90 10.408 -10.651 -2.190 1.00 0.00 H new ATOM 0 HD12 LEU B 90 10.663 -11.986 -3.338 1.00 0.00 H new ATOM 0 HD13 LEU B 90 9.409 -12.120 -2.082 1.00 0.00 H new ATOM 0 HD21 LEU B 90 11.117 -10.861 0.158 1.00 0.00 H new ATOM 0 HD22 LEU B 90 10.132 -12.329 0.364 1.00 0.00 H new ATOM 0 HD23 LEU B 90 11.870 -12.362 0.746 1.00 0.00 H new ATOM 2988 N GLY B 91 11.942 -16.881 0.206 1.00 0.00 N ATOM 2989 CA GLY B 91 11.943 -18.322 0.164 1.00 0.00 C ATOM 2990 C GLY B 91 11.109 -18.948 -0.906 1.00 0.00 C ATOM 2991 O GLY B 91 11.378 -20.099 -1.322 1.00 0.00 O ATOM 0 H GLY B 91 11.648 -16.486 1.099 1.00 0.00 H new ATOM 0 HA2 GLY B 91 12.971 -18.661 0.040 1.00 0.00 H new ATOM 0 HA3 GLY B 91 11.599 -18.694 1.129 1.00 0.00 H new ATOM 2995 N CYS B 92 9.988 -18.318 -1.327 1.00 0.00 N ATOM 2996 CA CYS B 92 9.149 -18.934 -2.346 1.00 0.00 C ATOM 2997 C CYS B 92 9.851 -19.012 -3.693 1.00 0.00 C ATOM 2998 O CYS B 92 9.382 -19.763 -4.571 1.00 0.00 O ATOM 2999 CB CYS B 92 7.801 -18.234 -2.492 1.00 0.00 C ATOM 3000 SG CYS B 92 7.885 -16.547 -3.067 1.00 0.00 S ATOM 0 H CYS B 92 9.663 -17.415 -0.983 1.00 0.00 H new ATOM 0 HA CYS B 92 8.960 -19.951 -2.001 1.00 0.00 H new ATOM 0 HB2 CYS B 92 7.184 -18.807 -3.184 1.00 0.00 H new ATOM 0 HB3 CYS B 92 7.295 -18.248 -1.527 1.00 0.00 H new ATOM 3005 N GLN B 93 10.965 -18.331 -3.862 1.00 0.00 N ATOM 3006 CA GLN B 93 11.734 -18.352 -5.082 1.00 0.00 C ATOM 3007 C GLN B 93 12.909 -19.324 -5.019 1.00 0.00 C ATOM 3008 O GLN B 93 13.624 -19.453 -6.012 1.00 0.00 O ATOM 3009 CB GLN B 93 12.260 -16.958 -5.436 1.00 0.00 C ATOM 3010 CG GLN B 93 11.178 -15.886 -5.561 1.00 0.00 C ATOM 3011 CD GLN B 93 10.185 -16.224 -6.669 1.00 0.00 C ATOM 3012 OE1 GLN B 93 10.561 -16.284 -7.840 1.00 0.00 O ATOM 3013 NE2 GLN B 93 8.954 -16.514 -6.290 1.00 0.00 N ATOM 0 H GLN B 93 11.367 -17.736 -3.138 1.00 0.00 H new ATOM 0 HA GLN B 93 11.048 -18.692 -5.858 1.00 0.00 H new ATOM 0 HB2 GLN B 93 12.974 -16.648 -4.673 1.00 0.00 H new ATOM 0 HB3 GLN B 93 12.805 -17.018 -6.378 1.00 0.00 H new ATOM 0 HG2 GLN B 93 10.649 -15.789 -4.613 1.00 0.00 H new ATOM 0 HG3 GLN B 93 11.642 -14.921 -5.768 1.00 0.00 H new ATOM 0 HE21 GLN B 93 8.694 -16.448 -5.306 1.00 0.00 H new ATOM 0 HE22 GLN B 93 8.263 -16.804 -6.981 1.00 0.00 H new ATOM 3022 N ILE B 94 13.191 -19.881 -3.845 1.00 0.00 N ATOM 3023 CA ILE B 94 14.387 -20.724 -3.700 1.00 0.00 C ATOM 3024 C ILE B 94 13.975 -22.190 -3.610 1.00 0.00 C ATOM 3025 O ILE B 94 13.212 -22.544 -2.724 1.00 0.00 O ATOM 3026 CB ILE B 94 15.182 -20.359 -2.436 1.00 0.00 C ATOM 3027 CG1 ILE B 94 15.593 -18.915 -2.390 1.00 0.00 C ATOM 3028 CG2 ILE B 94 16.396 -21.297 -2.292 1.00 0.00 C ATOM 3029 CD1 ILE B 94 16.191 -18.281 -3.586 1.00 0.00 C ATOM 0 H ILE B 94 12.631 -19.773 -3.000 1.00 0.00 H new ATOM 0 HA ILE B 94 15.018 -20.556 -4.573 1.00 0.00 H new ATOM 0 HB ILE B 94 14.517 -20.500 -1.584 1.00 0.00 H new ATOM 0 HG12 ILE B 94 14.710 -18.334 -2.121 1.00 0.00 H new ATOM 0 HG13 ILE B 94 16.307 -18.806 -1.573 1.00 0.00 H new ATOM 0 HG21 ILE B 94 16.955 -21.033 -1.394 1.00 0.00 H new ATOM 0 HG22 ILE B 94 16.052 -22.328 -2.215 1.00 0.00 H new ATOM 0 HG23 ILE B 94 17.041 -21.194 -3.165 1.00 0.00 H new ATOM 0 HD11 ILE B 94 16.424 -17.239 -3.367 1.00 0.00 H new ATOM 0 HD12 ILE B 94 17.106 -18.808 -3.858 1.00 0.00 H new ATOM 0 HD13 ILE B 94 15.485 -18.329 -4.415 1.00 0.00 H new ATOM 3041 N SER B 95 14.461 -23.000 -4.549 1.00 0.00 N ATOM 3042 CA SER B 95 14.123 -24.419 -4.564 1.00 0.00 C ATOM 3043 C SER B 95 15.298 -25.276 -4.089 1.00 0.00 C ATOM 3044 O SER B 95 16.457 -24.924 -4.291 1.00 0.00 O ATOM 3045 CB SER B 95 13.757 -24.849 -5.981 1.00 0.00 C ATOM 3046 OG SER B 95 13.405 -26.234 -5.984 1.00 0.00 O ATOM 0 H SER B 95 15.083 -22.701 -5.300 1.00 0.00 H new ATOM 0 HA SER B 95 13.280 -24.564 -3.889 1.00 0.00 H new ATOM 0 HB2 SER B 95 12.924 -24.251 -6.350 1.00 0.00 H new ATOM 0 HB3 SER B 95 14.597 -24.675 -6.653 1.00 0.00 H new ATOM 0 HG SER B 95 12.714 -26.395 -6.661 1.00 0.00 H new ATOM 3052 N LEU B 96 14.972 -26.373 -3.428 1.00 0.00 N ATOM 3053 CA LEU B 96 15.934 -27.227 -2.782 1.00 0.00 C ATOM 3054 C LEU B 96 16.918 -27.867 -3.735 1.00 0.00 C ATOM 3055 O LEU B 96 16.573 -28.316 -4.834 1.00 0.00 O ATOM 3056 CB LEU B 96 15.224 -28.295 -1.932 1.00 0.00 C ATOM 3057 CG LEU B 96 14.404 -27.764 -0.760 1.00 0.00 C ATOM 3058 CD1 LEU B 96 13.864 -28.875 0.109 1.00 0.00 C ATOM 3059 CD2 LEU B 96 15.233 -26.792 0.092 1.00 0.00 C ATOM 0 H LEU B 96 14.009 -26.695 -3.328 1.00 0.00 H new ATOM 0 HA LEU B 96 16.525 -26.581 -2.133 1.00 0.00 H new ATOM 0 HB2 LEU B 96 14.566 -28.872 -2.581 1.00 0.00 H new ATOM 0 HB3 LEU B 96 15.975 -28.984 -1.545 1.00 0.00 H new ATOM 0 HG LEU B 96 13.554 -27.232 -1.188 1.00 0.00 H new ATOM 0 HD11 LEU B 96 13.287 -28.448 0.929 1.00 0.00 H new ATOM 0 HD12 LEU B 96 13.222 -29.523 -0.487 1.00 0.00 H new ATOM 0 HD13 LEU B 96 14.693 -29.457 0.512 1.00 0.00 H new ATOM 0 HD21 LEU B 96 14.627 -26.427 0.921 1.00 0.00 H new ATOM 0 HD22 LEU B 96 16.110 -27.308 0.483 1.00 0.00 H new ATOM 0 HD23 LEU B 96 15.552 -25.950 -0.523 1.00 0.00 H new ATOM 3071 N THR B 97 18.193 -27.855 -3.348 1.00 0.00 N ATOM 3072 CA THR B 97 19.242 -28.512 -4.136 1.00 0.00 C ATOM 3073 C THR B 97 20.012 -29.464 -3.216 1.00 0.00 C ATOM 3074 O THR B 97 19.908 -29.364 -1.989 1.00 0.00 O ATOM 3075 CB THR B 97 20.205 -27.538 -4.793 1.00 0.00 C ATOM 3076 OG1 THR B 97 20.970 -26.839 -3.792 1.00 0.00 O ATOM 3077 CG2 THR B 97 19.540 -26.543 -5.710 1.00 0.00 C ATOM 0 H THR B 97 18.526 -27.400 -2.498 1.00 0.00 H new ATOM 0 HA THR B 97 18.756 -29.051 -4.949 1.00 0.00 H new ATOM 0 HB THR B 97 20.860 -28.145 -5.418 1.00 0.00 H new ATOM 0 HG1 THR B 97 21.588 -26.216 -4.228 1.00 0.00 H new ATOM 0 HG21 THR B 97 20.294 -25.884 -6.140 1.00 0.00 H new ATOM 0 HG22 THR B 97 19.024 -27.074 -6.510 1.00 0.00 H new ATOM 0 HG23 THR B 97 18.820 -25.951 -5.144 1.00 0.00 H new ATOM 3085 N LYS B 98 20.829 -30.335 -3.803 1.00 0.00 N ATOM 3086 CA LYS B 98 21.644 -31.265 -3.044 1.00 0.00 C ATOM 3087 C LYS B 98 22.467 -30.560 -1.975 1.00 0.00 C ATOM 3088 O LYS B 98 22.553 -31.016 -0.833 1.00 0.00 O ATOM 3089 CB LYS B 98 22.609 -32.025 -3.977 1.00 0.00 C ATOM 3090 CG LYS B 98 22.147 -33.414 -4.372 1.00 0.00 C ATOM 3091 CD LYS B 98 23.237 -34.147 -5.158 1.00 0.00 C ATOM 3092 CE LYS B 98 22.648 -35.281 -5.979 1.00 0.00 C ATOM 3093 NZ LYS B 98 22.788 -36.597 -5.287 1.00 0.00 N ATOM 0 H LYS B 98 20.941 -30.412 -4.814 1.00 0.00 H new ATOM 0 HA LYS B 98 20.957 -31.960 -2.560 1.00 0.00 H new ATOM 0 HB2 LYS B 98 22.757 -31.435 -4.882 1.00 0.00 H new ATOM 0 HB3 LYS B 98 23.579 -32.106 -3.486 1.00 0.00 H new ATOM 0 HG2 LYS B 98 21.890 -33.984 -3.479 1.00 0.00 H new ATOM 0 HG3 LYS B 98 21.242 -33.343 -4.976 1.00 0.00 H new ATOM 0 HD2 LYS B 98 23.750 -33.445 -5.816 1.00 0.00 H new ATOM 0 HD3 LYS B 98 23.984 -34.542 -4.469 1.00 0.00 H new ATOM 0 HE2 LYS B 98 21.594 -35.081 -6.171 1.00 0.00 H new ATOM 0 HE3 LYS B 98 23.146 -35.325 -6.948 1.00 0.00 H new ATOM 0 HZ1 LYS B 98 22.374 -37.346 -5.878 1.00 0.00 H new ATOM 0 HZ2 LYS B 98 23.795 -36.799 -5.126 1.00 0.00 H new ATOM 0 HZ3 LYS B 98 22.292 -36.563 -4.374 1.00 0.00 H new ATOM 3107 N ALA B 99 23.103 -29.447 -2.350 1.00 0.00 N ATOM 3108 CA ALA B 99 23.982 -28.723 -1.464 1.00 0.00 C ATOM 3109 C ALA B 99 23.306 -28.183 -0.226 1.00 0.00 C ATOM 3110 O ALA B 99 23.990 -27.881 0.760 1.00 0.00 O ATOM 3111 CB ALA B 99 24.731 -27.619 -2.205 1.00 0.00 C ATOM 0 H ALA B 99 23.015 -29.033 -3.278 1.00 0.00 H new ATOM 0 HA ALA B 99 24.702 -29.460 -1.108 1.00 0.00 H new ATOM 0 HB1 ALA B 99 25.385 -27.093 -1.509 1.00 0.00 H new ATOM 0 HB2 ALA B 99 25.329 -28.058 -3.004 1.00 0.00 H new ATOM 0 HB3 ALA B 99 24.015 -26.917 -2.632 1.00 0.00 H new ATOM 3117 N MET B 100 21.977 -28.130 -0.195 1.00 0.00 N ATOM 3118 CA MET B 100 21.230 -27.638 0.933 1.00 0.00 C ATOM 3119 C MET B 100 20.881 -28.666 1.975 1.00 0.00 C ATOM 3120 O MET B 100 20.227 -28.354 2.982 1.00 0.00 O ATOM 3121 CB MET B 100 19.909 -26.977 0.451 1.00 0.00 C ATOM 3122 CG MET B 100 20.179 -25.930 -0.616 1.00 0.00 C ATOM 3123 SD MET B 100 18.624 -25.133 -1.118 1.00 0.00 S ATOM 3124 CE MET B 100 19.262 -23.932 -2.283 1.00 0.00 C ATOM 0 H MET B 100 21.390 -28.435 -0.971 1.00 0.00 H new ATOM 0 HA MET B 100 21.901 -26.924 1.411 1.00 0.00 H new ATOM 0 HB2 MET B 100 19.240 -27.741 0.054 1.00 0.00 H new ATOM 0 HB3 MET B 100 19.400 -26.516 1.297 1.00 0.00 H new ATOM 0 HG2 MET B 100 20.873 -25.182 -0.234 1.00 0.00 H new ATOM 0 HG3 MET B 100 20.654 -26.394 -1.480 1.00 0.00 H new ATOM 0 HE1 MET B 100 18.681 -23.013 -2.213 1.00 0.00 H new ATOM 0 HE2 MET B 100 20.306 -23.720 -2.052 1.00 0.00 H new ATOM 0 HE3 MET B 100 19.188 -24.331 -3.294 1.00 0.00 H new ATOM 3134 N ASP B 101 21.272 -29.931 1.750 1.00 0.00 N ATOM 3135 CA ASP B 101 20.996 -30.936 2.784 1.00 0.00 C ATOM 3136 C ASP B 101 21.584 -30.454 4.106 1.00 0.00 C ATOM 3137 O ASP B 101 22.772 -30.108 4.174 1.00 0.00 O ATOM 3138 CB ASP B 101 21.554 -32.295 2.402 1.00 0.00 C ATOM 3139 CG ASP B 101 20.778 -33.441 3.020 1.00 0.00 C ATOM 3140 OD1 ASP B 101 19.830 -33.183 3.793 1.00 0.00 O ATOM 3141 OD2 ASP B 101 21.100 -34.606 2.713 1.00 0.00 O ATOM 0 H ASP B 101 21.751 -30.267 0.915 1.00 0.00 H new ATOM 0 HA ASP B 101 19.918 -31.057 2.886 1.00 0.00 H new ATOM 0 HB2 ASP B 101 21.541 -32.396 1.317 1.00 0.00 H new ATOM 0 HB3 ASP B 101 22.596 -32.356 2.716 1.00 0.00 H new ATOM 3146 N ASN B 102 20.806 -30.492 5.165 1.00 0.00 N ATOM 3147 CA ASN B 102 21.179 -30.123 6.490 1.00 0.00 C ATOM 3148 C ASN B 102 21.412 -28.636 6.703 1.00 0.00 C ATOM 3149 O ASN B 102 21.893 -28.253 7.790 1.00 0.00 O ATOM 3150 CB ASN B 102 22.441 -30.890 6.969 1.00 0.00 C ATOM 3151 CG ASN B 102 22.289 -32.394 6.758 1.00 0.00 C ATOM 3152 OD1 ASN B 102 21.319 -32.994 7.193 1.00 0.00 O ATOM 3153 ND2 ASN B 102 23.246 -32.953 6.021 1.00 0.00 N ATOM 0 H ASN B 102 19.836 -30.803 5.107 1.00 0.00 H new ATOM 0 HA ASN B 102 20.309 -30.401 7.084 1.00 0.00 H new ATOM 0 HB2 ASN B 102 23.315 -30.531 6.426 1.00 0.00 H new ATOM 0 HB3 ASN B 102 22.615 -30.685 8.025 1.00 0.00 H new ATOM 0 HD21 ASN B 102 23.196 -33.944 5.787 1.00 0.00 H new ATOM 0 HD22 ASN B 102 24.030 -32.390 5.690 1.00 0.00 H new ATOM 3160 N MET B 103 21.110 -27.795 5.729 1.00 0.00 N ATOM 3161 CA MET B 103 21.317 -26.353 5.916 1.00 0.00 C ATOM 3162 C MET B 103 20.392 -25.802 6.998 1.00 0.00 C ATOM 3163 O MET B 103 19.357 -26.361 7.315 1.00 0.00 O ATOM 3164 CB MET B 103 21.117 -25.595 4.622 1.00 0.00 C ATOM 3165 CG MET B 103 19.646 -25.279 4.289 1.00 0.00 C ATOM 3166 SD MET B 103 19.563 -24.257 2.804 1.00 0.00 S ATOM 3167 CE MET B 103 17.794 -24.319 2.457 1.00 0.00 C ATOM 0 H MET B 103 20.731 -28.066 4.822 1.00 0.00 H new ATOM 0 HA MET B 103 22.349 -26.212 6.237 1.00 0.00 H new ATOM 0 HB2 MET B 103 21.674 -24.659 4.674 1.00 0.00 H new ATOM 0 HB3 MET B 103 21.545 -26.176 3.805 1.00 0.00 H new ATOM 0 HG2 MET B 103 19.091 -26.205 4.136 1.00 0.00 H new ATOM 0 HG3 MET B 103 19.177 -24.760 5.125 1.00 0.00 H new ATOM 0 HE1 MET B 103 17.580 -23.748 1.554 1.00 0.00 H new ATOM 0 HE2 MET B 103 17.488 -25.355 2.312 1.00 0.00 H new ATOM 0 HE3 MET B 103 17.244 -23.892 3.295 1.00 0.00 H new ATOM 3177 N THR B 104 20.730 -24.593 7.468 1.00 0.00 N ATOM 3178 CA THR B 104 19.848 -23.886 8.403 1.00 0.00 C ATOM 3179 C THR B 104 19.479 -22.527 7.808 1.00 0.00 C ATOM 3180 O THR B 104 20.336 -21.815 7.333 1.00 0.00 O ATOM 3181 CB THR B 104 20.548 -23.683 9.760 1.00 0.00 C ATOM 3182 OG1 THR B 104 20.799 -24.978 10.337 1.00 0.00 O ATOM 3183 CG2 THR B 104 19.704 -22.854 10.702 1.00 0.00 C ATOM 0 H THR B 104 21.586 -24.095 7.223 1.00 0.00 H new ATOM 0 HA THR B 104 18.949 -24.481 8.564 1.00 0.00 H new ATOM 0 HB THR B 104 21.482 -23.145 9.601 1.00 0.00 H new ATOM 0 HG1 THR B 104 21.247 -24.870 11.202 1.00 0.00 H new ATOM 0 HG21 THR B 104 20.229 -22.731 11.649 1.00 0.00 H new ATOM 0 HG22 THR B 104 19.520 -21.875 10.260 1.00 0.00 H new ATOM 0 HG23 THR B 104 18.753 -23.357 10.877 1.00 0.00 H new ATOM 3191 N VAL B 105 18.188 -22.176 7.877 1.00 0.00 N ATOM 3192 CA VAL B 105 17.729 -20.865 7.485 1.00 0.00 C ATOM 3193 C VAL B 105 17.118 -20.169 8.716 1.00 0.00 C ATOM 3194 O VAL B 105 16.647 -20.857 9.609 1.00 0.00 O ATOM 3195 CB VAL B 105 16.707 -20.840 6.354 1.00 0.00 C ATOM 3196 CG1 VAL B 105 17.300 -21.329 5.038 1.00 0.00 C ATOM 3197 CG2 VAL B 105 15.438 -21.620 6.689 1.00 0.00 C ATOM 0 H VAL B 105 17.449 -22.797 8.205 1.00 0.00 H new ATOM 0 HA VAL B 105 18.608 -20.349 7.099 1.00 0.00 H new ATOM 0 HB VAL B 105 16.425 -19.794 6.233 1.00 0.00 H new ATOM 0 HG11 VAL B 105 16.537 -21.294 4.260 1.00 0.00 H new ATOM 0 HG12 VAL B 105 18.136 -20.689 4.755 1.00 0.00 H new ATOM 0 HG13 VAL B 105 17.652 -22.354 5.156 1.00 0.00 H new ATOM 0 HG21 VAL B 105 14.746 -21.568 5.848 1.00 0.00 H new ATOM 0 HG22 VAL B 105 15.692 -22.661 6.886 1.00 0.00 H new ATOM 0 HG23 VAL B 105 14.968 -21.188 7.573 1.00 0.00 H new ATOM 3207 N ARG B 106 17.150 -18.837 8.718 1.00 0.00 N ATOM 3208 CA ARG B 106 16.602 -18.083 9.830 1.00 0.00 C ATOM 3209 C ARG B 106 15.423 -17.229 9.399 1.00 0.00 C ATOM 3210 O ARG B 106 15.469 -16.538 8.375 1.00 0.00 O ATOM 3211 CB ARG B 106 17.679 -17.182 10.480 1.00 0.00 C ATOM 3212 CG ARG B 106 17.089 -16.345 11.644 1.00 0.00 C ATOM 3213 CD ARG B 106 18.150 -15.478 12.259 1.00 0.00 C ATOM 3214 NE ARG B 106 19.245 -16.209 12.868 1.00 0.00 N ATOM 3215 CZ ARG B 106 19.198 -16.781 14.071 1.00 0.00 C ATOM 3216 NH1 ARG B 106 18.094 -16.744 14.802 1.00 0.00 N ATOM 3217 NH2 ARG B 106 20.270 -17.405 14.556 1.00 0.00 N ATOM 0 H ARG B 106 17.546 -18.269 7.969 1.00 0.00 H new ATOM 0 HA ARG B 106 16.256 -18.811 10.564 1.00 0.00 H new ATOM 0 HB2 ARG B 106 18.496 -17.800 10.852 1.00 0.00 H new ATOM 0 HB3 ARG B 106 18.100 -16.515 9.728 1.00 0.00 H new ATOM 0 HG2 ARG B 106 16.272 -15.724 11.276 1.00 0.00 H new ATOM 0 HG3 ARG B 106 16.669 -17.008 12.400 1.00 0.00 H new ATOM 0 HD2 ARG B 106 18.553 -14.818 11.491 1.00 0.00 H new ATOM 0 HD3 ARG B 106 17.689 -14.842 13.015 1.00 0.00 H new ATOM 0 HE ARG B 106 20.113 -16.291 12.338 1.00 0.00 H new ATOM 0 HH11 ARG B 106 17.262 -16.273 14.446 1.00 0.00 H new ATOM 0 HH12 ARG B 106 18.075 -17.187 15.721 1.00 0.00 H new ATOM 0 HH21 ARG B 106 21.128 -17.446 14.007 1.00 0.00 H new ATOM 0 HH22 ARG B 106 20.233 -17.842 15.477 1.00 0.00 H new ATOM 3231 N VAL B 107 14.351 -17.293 10.190 1.00 0.00 N ATOM 3232 CA VAL B 107 13.191 -16.455 10.002 1.00 0.00 C ATOM 3233 C VAL B 107 13.374 -15.195 10.877 1.00 0.00 C ATOM 3234 O VAL B 107 13.506 -15.228 12.048 1.00 0.00 O ATOM 3235 CB VAL B 107 11.878 -17.127 10.378 1.00 0.00 C ATOM 3236 CG1 VAL B 107 10.697 -16.206 10.081 1.00 0.00 C ATOM 3237 CG2 VAL B 107 11.693 -18.476 9.696 1.00 0.00 C ATOM 0 H VAL B 107 14.274 -17.934 10.980 1.00 0.00 H new ATOM 0 HA VAL B 107 13.124 -16.222 8.939 1.00 0.00 H new ATOM 0 HB VAL B 107 11.917 -17.319 11.450 1.00 0.00 H new ATOM 0 HG11 VAL B 107 9.768 -16.705 10.357 1.00 0.00 H new ATOM 0 HG12 VAL B 107 10.799 -15.286 10.656 1.00 0.00 H new ATOM 0 HG13 VAL B 107 10.679 -15.969 9.017 1.00 0.00 H new ATOM 0 HG21 VAL B 107 10.740 -18.910 10.000 1.00 0.00 H new ATOM 0 HG22 VAL B 107 11.701 -18.341 8.614 1.00 0.00 H new ATOM 0 HG23 VAL B 107 12.505 -19.144 9.985 1.00 0.00 H new ATOM 3247 N PRO B 108 13.481 -14.055 10.117 1.00 0.00 N ATOM 3248 CA PRO B 108 13.699 -12.794 10.819 1.00 0.00 C ATOM 3249 C PRO B 108 12.465 -12.259 11.495 1.00 0.00 C ATOM 3250 O PRO B 108 11.317 -12.623 11.134 1.00 0.00 O ATOM 3251 CB PRO B 108 14.212 -11.880 9.706 1.00 0.00 C ATOM 3252 CG PRO B 108 13.408 -12.310 8.530 1.00 0.00 C ATOM 3253 CD PRO B 108 13.334 -13.817 8.623 1.00 0.00 C ATOM 3254 OXT PRO B 108 12.609 -11.510 12.499 1.00 0.00 O ATOM 0 HA PRO B 108 14.394 -12.892 11.653 1.00 0.00 H new ATOM 0 HB2 PRO B 108 14.053 -10.828 9.941 1.00 0.00 H new ATOM 0 HB3 PRO B 108 15.281 -12.011 9.535 1.00 0.00 H new ATOM 0 HG2 PRO B 108 12.413 -11.866 8.551 1.00 0.00 H new ATOM 0 HG3 PRO B 108 13.877 -11.997 7.597 1.00 0.00 H new ATOM 0 HD2 PRO B 108 12.389 -14.202 8.241 1.00 0.00 H new ATOM 0 HD3 PRO B 108 14.129 -14.299 8.054 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 4.885 -13.828 -1.038 1.00 0.00 FE HETATM 3339 FE2 FES B 109 7.090 -15.275 -1.307 1.00 0.00 FE HETATM 3340 S1 FES B 109 6.705 -13.307 -2.153 1.00 0.00 S HETATM 3341 S2 FES B 109 5.195 -15.944 -0.495 1.00 0.00 S