USER MOD reduce.3.24.130724 H: found=0, std=0, add=1658, rem=0, adj=50 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= -0.345 USER MOD Set 1.2: B 100 MET CE :methyl -144:sc=-0.000917 (180deg=-0.215) USER MOD Set 2.1: B 56 HIS : no HE2:sc= -1.76! C(o=3.2!,f=-7.8!) USER MOD Set 2.2: B 85 THR OG1 : rot -46:sc= 1.62 USER MOD Set 2.3: B 88 SER OG : rot -127:sc= 3.3 USER MOD Set 3.1: B 21 THR OG1 : rot 120:sc= -0.0484 USER MOD Set 3.2: B 36 ASN : amide:sc= -0.309! K(o=-0.36!,f=-0.97) USER MOD Set 4.1: B 10 HIS : no HD1:sc= 0.495 K(o=1.6,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= -0.471 K(o=-0.47,f=-1.9!) 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= 0.474 K(o=0.47,f=-5.5!) 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= 0.474 USER MOD Single : B 35 GLN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : B 37 ASN : amide:sc= 0 X(o=0,f=-0.068) USER MOD Single : B 49 THR OG1 : rot -12:sc= 0.458 USER MOD Single : B 53 SER OG : rot -170:sc= 0 USER MOD Single : B 54 THR OG1 : rot -70:sc= 1.77 USER MOD Single : B 61 GLN : amide:sc= 0.293 K(o=0.29,f=-0.76) USER MOD Single : B 62 HIS : no HD1:sc= 0.0602 K(o=0.06,f=-0.69) USER MOD Single : B 66 LYS NZ :NH3+ 144:sc= -0.317 (180deg=-1.31!) USER MOD Single : B 71 THR OG1 : rot 180:sc= 0.0687 USER MOD Single : B 75 ASN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : B 77 MET CE :methyl -129:sc= -1.43 (180deg=-3.97!) USER MOD Single : B 82 TYR OH : rot 180:sc= 0 USER MOD Single : B 93 GLN : amide:sc= 0.589 K(o=0.59,f=-0.055) USER MOD Single : B 95 SER OG : rot 148:sc= -3.37! USER MOD Single : B 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 102 ASN : amide:sc= -0.0222 X(o=-0.022,f=-0.0092) USER MOD Single : B 103 MET CE :methyl 180:sc= 0 (180deg=0) 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 5.610 -4.364 3.583 1.00 0.00 C ATOM 498 SG CYS A 28 6.265 -5.291 2.159 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 7.573 -3.442 3.787 1.00 0.00 H new ATOM 0 HB2 CYS A 28 5.465 -5.047 4.420 1.00 0.00 H new ATOM 0 HB3 CYS A 28 4.631 -3.959 3.328 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 14.744 -37.917 -0.023 1.00 0.00 N ATOM 1696 CA LYS B 6 14.342 -36.864 0.923 1.00 0.00 C ATOM 1697 C LYS B 6 15.549 -36.350 1.694 1.00 0.00 C ATOM 1698 O LYS B 6 16.569 -37.051 1.806 1.00 0.00 O ATOM 1699 CB LYS B 6 13.264 -37.388 1.866 1.00 0.00 C ATOM 1700 CG LYS B 6 13.282 -38.900 2.056 1.00 0.00 C ATOM 1701 CD LYS B 6 12.415 -39.340 3.226 1.00 0.00 C ATOM 1702 CE LYS B 6 12.587 -40.816 3.526 1.00 0.00 C ATOM 1703 NZ LYS B 6 12.551 -41.101 4.995 1.00 0.00 N ATOM 0 HA LYS B 6 13.925 -36.027 0.363 1.00 0.00 H new ATOM 0 HB2 LYS B 6 13.383 -36.909 2.838 1.00 0.00 H new ATOM 0 HB3 LYS B 6 12.287 -37.093 1.483 1.00 0.00 H new ATOM 0 HG2 LYS B 6 12.932 -39.384 1.144 1.00 0.00 H new ATOM 0 HG3 LYS B 6 14.307 -39.232 2.220 1.00 0.00 H new ATOM 0 HD2 LYS B 6 12.673 -38.756 4.110 1.00 0.00 H new ATOM 0 HD3 LYS B 6 11.369 -39.134 3.002 1.00 0.00 H new ATOM 0 HE2 LYS B 6 11.799 -41.381 3.028 1.00 0.00 H new ATOM 0 HE3 LYS B 6 13.535 -41.161 3.114 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 12.672 -42.122 5.154 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 13.319 -40.583 5.468 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 11.637 -40.796 5.385 1.00 0.00 H new ATOM 1717 N ILE B 7 15.510 -35.092 2.123 1.00 0.00 N ATOM 1718 CA ILE B 7 16.626 -34.499 2.848 1.00 0.00 C ATOM 1719 C ILE B 7 16.151 -33.818 4.139 1.00 0.00 C ATOM 1720 O ILE B 7 15.026 -33.336 4.228 1.00 0.00 O ATOM 1721 CB ILE B 7 17.398 -33.459 2.032 1.00 0.00 C ATOM 1722 CG1 ILE B 7 16.505 -32.256 1.713 1.00 0.00 C ATOM 1723 CG2 ILE B 7 18.049 -34.016 0.793 1.00 0.00 C ATOM 1724 CD1 ILE B 7 17.285 -30.980 1.495 1.00 0.00 C ATOM 0 H ILE B 7 14.718 -34.465 1.981 1.00 0.00 H new ATOM 0 HA ILE B 7 17.292 -35.333 3.069 1.00 0.00 H new ATOM 0 HB ILE B 7 18.224 -33.126 2.660 1.00 0.00 H new ATOM 0 HG12 ILE B 7 15.918 -32.473 0.820 1.00 0.00 H new ATOM 0 HG13 ILE B 7 15.799 -32.108 2.530 1.00 0.00 H new ATOM 0 HG21 ILE B 7 18.576 -33.219 0.269 1.00 0.00 H new ATOM 0 HG22 ILE B 7 18.757 -34.796 1.073 1.00 0.00 H new ATOM 0 HG23 ILE B 7 17.286 -34.437 0.139 1.00 0.00 H new ATOM 0 HD11 ILE B 7 16.595 -30.165 1.273 1.00 0.00 H new ATOM 0 HD12 ILE B 7 17.851 -30.741 2.395 1.00 0.00 H new ATOM 0 HD13 ILE B 7 17.972 -31.112 0.659 1.00 0.00 H new ATOM 1736 N THR B 8 17.067 -33.726 5.100 1.00 0.00 N ATOM 1737 CA THR B 8 16.790 -33.089 6.372 1.00 0.00 C ATOM 1738 C THR B 8 17.064 -31.583 6.303 1.00 0.00 C ATOM 1739 O THR B 8 18.059 -31.146 5.721 1.00 0.00 O ATOM 1740 CB THR B 8 17.622 -33.678 7.522 1.00 0.00 C ATOM 1741 OG1 THR B 8 17.516 -35.108 7.535 1.00 0.00 O ATOM 1742 CG2 THR B 8 17.127 -33.151 8.867 1.00 0.00 C ATOM 0 H THR B 8 18.016 -34.091 5.014 1.00 0.00 H new ATOM 0 HA THR B 8 15.735 -33.274 6.574 1.00 0.00 H new ATOM 0 HB THR B 8 18.659 -33.381 7.366 1.00 0.00 H new ATOM 0 HG1 THR B 8 18.052 -35.469 8.271 1.00 0.00 H new ATOM 0 HG21 THR B 8 17.728 -33.579 9.669 1.00 0.00 H new ATOM 0 HG22 THR B 8 17.216 -32.065 8.887 1.00 0.00 H new ATOM 0 HG23 THR B 8 16.083 -33.432 9.006 1.00 0.00 H new ATOM 1750 N VAL B 9 16.133 -30.805 6.846 1.00 0.00 N ATOM 1751 CA VAL B 9 16.326 -29.343 6.918 1.00 0.00 C ATOM 1752 C VAL B 9 16.047 -28.895 8.361 1.00 0.00 C ATOM 1753 O VAL B 9 15.039 -29.307 8.936 1.00 0.00 O ATOM 1754 CB VAL B 9 15.387 -28.587 5.978 1.00 0.00 C ATOM 1755 CG1 VAL B 9 15.554 -27.073 6.182 1.00 0.00 C ATOM 1756 CG2 VAL B 9 15.639 -28.922 4.518 1.00 0.00 C ATOM 0 H VAL B 9 15.253 -31.143 7.237 1.00 0.00 H new ATOM 0 HA VAL B 9 17.348 -29.118 6.614 1.00 0.00 H new ATOM 0 HB VAL B 9 14.371 -28.896 6.222 1.00 0.00 H new ATOM 0 HG11 VAL B 9 14.883 -26.539 5.510 1.00 0.00 H new ATOM 0 HG12 VAL B 9 15.314 -26.816 7.214 1.00 0.00 H new ATOM 0 HG13 VAL B 9 16.584 -26.788 5.967 1.00 0.00 H new ATOM 0 HG21 VAL B 9 14.947 -28.360 3.891 1.00 0.00 H new ATOM 0 HG22 VAL B 9 16.663 -28.657 4.256 1.00 0.00 H new ATOM 0 HG23 VAL B 9 15.488 -29.990 4.358 1.00 0.00 H new ATOM 1766 N HIS B 10 16.934 -28.078 8.911 1.00 0.00 N ATOM 1767 CA HIS B 10 16.729 -27.558 10.273 1.00 0.00 C ATOM 1768 C HIS B 10 16.340 -26.070 10.192 1.00 0.00 C ATOM 1769 O HIS B 10 16.983 -25.330 9.458 1.00 0.00 O ATOM 1770 CB HIS B 10 18.046 -27.650 11.050 1.00 0.00 C ATOM 1771 CG HIS B 10 18.663 -29.010 11.068 1.00 0.00 C ATOM 1772 ND1 HIS B 10 18.171 -30.048 11.833 1.00 0.00 N ATOM 1773 CD2 HIS B 10 19.773 -29.487 10.446 1.00 0.00 C ATOM 1774 CE1 HIS B 10 18.938 -31.117 11.653 1.00 0.00 C ATOM 1775 NE2 HIS B 10 19.910 -30.803 10.832 1.00 0.00 N ATOM 0 H HIS B 10 17.789 -27.761 8.454 1.00 0.00 H new ATOM 0 HA HIS B 10 15.948 -28.137 10.766 1.00 0.00 H new ATOM 0 HB2 HIS B 10 18.758 -26.948 10.617 1.00 0.00 H new ATOM 0 HB3 HIS B 10 17.870 -27.332 12.077 1.00 0.00 H new ATOM 0 HD2 HIS B 10 20.422 -28.940 9.778 1.00 0.00 H new ATOM 0 HE1 HIS B 10 18.786 -32.085 12.108 1.00 0.00 H new ATOM 0 HE2 HIS B 10 20.651 -31.433 10.527 1.00 0.00 H new ATOM 1783 N PHE B 11 15.333 -25.674 10.940 1.00 0.00 N ATOM 1784 CA PHE B 11 14.894 -24.288 10.977 1.00 0.00 C ATOM 1785 C PHE B 11 15.099 -23.745 12.404 1.00 0.00 C ATOM 1786 O PHE B 11 14.585 -24.347 13.349 1.00 0.00 O ATOM 1787 CB PHE B 11 13.404 -24.155 10.655 1.00 0.00 C ATOM 1788 CG PHE B 11 12.963 -24.508 9.285 1.00 0.00 C ATOM 1789 CD1 PHE B 11 12.917 -25.831 8.859 1.00 0.00 C ATOM 1790 CD2 PHE B 11 12.528 -23.528 8.399 1.00 0.00 C ATOM 1791 CE1 PHE B 11 12.485 -26.157 7.602 1.00 0.00 C ATOM 1792 CE2 PHE B 11 12.088 -23.852 7.135 1.00 0.00 C ATOM 1793 CZ PHE B 11 12.049 -25.172 6.732 1.00 0.00 C ATOM 0 H PHE B 11 14.794 -26.299 11.540 1.00 0.00 H new ATOM 0 HA PHE B 11 15.472 -23.737 10.236 1.00 0.00 H new ATOM 0 HB2 PHE B 11 12.852 -24.780 11.357 1.00 0.00 H new ATOM 0 HB3 PHE B 11 13.110 -23.123 10.847 1.00 0.00 H new ATOM 0 HD1 PHE B 11 13.228 -26.616 9.533 1.00 0.00 H new ATOM 0 HD2 PHE B 11 12.535 -22.493 8.708 1.00 0.00 H new ATOM 0 HE1 PHE B 11 12.484 -27.190 7.286 1.00 0.00 H new ATOM 0 HE2 PHE B 11 11.773 -23.072 6.458 1.00 0.00 H new ATOM 0 HZ PHE B 11 11.683 -25.433 5.750 1.00 0.00 H new ATOM 1803 N ILE B 12 15.882 -22.688 12.529 1.00 0.00 N ATOM 1804 CA ILE B 12 15.979 -21.993 13.808 1.00 0.00 C ATOM 1805 C ILE B 12 14.866 -20.928 13.842 1.00 0.00 C ATOM 1806 O ILE B 12 14.916 -19.951 13.114 1.00 0.00 O ATOM 1807 CB ILE B 12 17.323 -21.335 14.074 1.00 0.00 C ATOM 1808 CG1 ILE B 12 18.467 -22.347 13.973 1.00 0.00 C ATOM 1809 CG2 ILE B 12 17.336 -20.710 15.490 1.00 0.00 C ATOM 1810 CD1 ILE B 12 19.840 -21.724 14.026 1.00 0.00 C ATOM 0 H ILE B 12 16.451 -22.295 11.779 1.00 0.00 H new ATOM 0 HA ILE B 12 15.869 -22.741 14.593 1.00 0.00 H new ATOM 0 HB ILE B 12 17.467 -20.562 13.319 1.00 0.00 H new ATOM 0 HG12 ILE B 12 18.374 -23.068 14.785 1.00 0.00 H new ATOM 0 HG13 ILE B 12 18.366 -22.903 13.041 1.00 0.00 H new ATOM 0 HG21 ILE B 12 18.303 -20.241 15.672 1.00 0.00 H new ATOM 0 HG22 ILE B 12 16.549 -19.960 15.564 1.00 0.00 H new ATOM 0 HG23 ILE B 12 17.165 -21.489 16.233 1.00 0.00 H new ATOM 0 HD11 ILE B 12 20.597 -22.504 13.949 1.00 0.00 H new ATOM 0 HD12 ILE B 12 19.954 -21.024 13.198 1.00 0.00 H new ATOM 0 HD13 ILE B 12 19.962 -21.192 14.970 1.00 0.00 H new ATOM 1822 N ASN B 13 13.828 -21.232 14.612 1.00 0.00 N ATOM 1823 CA ASN B 13 12.654 -20.326 14.644 1.00 0.00 C ATOM 1824 C ASN B 13 13.001 -19.072 15.398 1.00 0.00 C ATOM 1825 O ASN B 13 14.061 -19.025 16.051 1.00 0.00 O ATOM 1826 CB ASN B 13 11.483 -21.081 15.258 1.00 0.00 C ATOM 1827 CG ASN B 13 10.143 -20.455 14.970 1.00 0.00 C ATOM 1828 OD1 ASN B 13 10.067 -19.406 14.317 1.00 0.00 O ATOM 1829 ND2 ASN B 13 9.080 -21.077 15.471 1.00 0.00 N ATOM 0 H ASN B 13 13.760 -22.059 15.205 1.00 0.00 H new ATOM 0 HA ASN B 13 12.366 -20.016 13.640 1.00 0.00 H new ATOM 0 HB2 ASN B 13 11.485 -22.104 14.883 1.00 0.00 H new ATOM 0 HB3 ASN B 13 11.624 -21.137 16.337 1.00 0.00 H new ATOM 0 HD21 ASN B 13 8.147 -20.691 15.324 1.00 0.00 H new ATOM 0 HD22 ASN B 13 9.197 -21.940 16.002 1.00 0.00 H new ATOM 1836 N ARG B 14 12.170 -18.040 15.363 1.00 0.00 N ATOM 1837 CA ARG B 14 12.491 -16.784 16.040 1.00 0.00 C ATOM 1838 C ARG B 14 12.543 -16.929 17.553 1.00 0.00 C ATOM 1839 O ARG B 14 13.255 -16.161 18.226 1.00 0.00 O ATOM 1840 CB ARG B 14 11.605 -15.639 15.638 1.00 0.00 C ATOM 1841 CG ARG B 14 10.494 -15.898 14.665 1.00 0.00 C ATOM 1842 CD ARG B 14 9.609 -14.652 14.489 1.00 0.00 C ATOM 1843 NE ARG B 14 9.449 -14.325 13.083 1.00 0.00 N ATOM 1844 CZ ARG B 14 8.602 -14.902 12.238 1.00 0.00 C ATOM 1845 NH1 ARG B 14 7.777 -15.857 12.635 1.00 0.00 N ATOM 1846 NH2 ARG B 14 8.556 -14.490 10.976 1.00 0.00 N ATOM 0 H ARG B 14 11.273 -18.043 14.877 1.00 0.00 H new ATOM 0 HA ARG B 14 13.495 -16.535 15.697 1.00 0.00 H new ATOM 0 HB2 ARG B 14 11.161 -15.229 16.545 1.00 0.00 H new ATOM 0 HB3 ARG B 14 12.241 -14.861 15.215 1.00 0.00 H new ATOM 0 HG2 ARG B 14 10.911 -16.190 13.701 1.00 0.00 H new ATOM 0 HG3 ARG B 14 9.887 -16.732 15.016 1.00 0.00 H new ATOM 0 HD2 ARG B 14 8.632 -14.828 14.939 1.00 0.00 H new ATOM 0 HD3 ARG B 14 10.054 -13.807 15.015 1.00 0.00 H new ATOM 0 HE ARG B 14 10.042 -13.584 12.710 1.00 0.00 H new ATOM 0 HH11 ARG B 14 7.783 -16.164 13.608 1.00 0.00 H new ATOM 0 HH12 ARG B 14 7.135 -16.286 11.969 1.00 0.00 H new ATOM 0 HH21 ARG B 14 9.168 -13.736 10.663 1.00 0.00 H new ATOM 0 HH22 ARG B 14 7.909 -14.927 10.320 1.00 0.00 H new ATOM 1860 N ASP B 15 11.837 -17.910 18.100 1.00 0.00 N ATOM 1861 CA ASP B 15 11.859 -18.198 19.524 1.00 0.00 C ATOM 1862 C ASP B 15 13.151 -18.874 19.954 1.00 0.00 C ATOM 1863 O ASP B 15 13.465 -18.926 21.148 1.00 0.00 O ATOM 1864 CB ASP B 15 10.648 -19.019 19.948 1.00 0.00 C ATOM 1865 CG ASP B 15 10.384 -20.242 19.111 1.00 0.00 C ATOM 1866 OD1 ASP B 15 11.231 -20.610 18.266 1.00 0.00 O ATOM 1867 OD2 ASP B 15 9.298 -20.868 19.275 1.00 0.00 O ATOM 0 H ASP B 15 11.230 -18.530 17.564 1.00 0.00 H new ATOM 0 HA ASP B 15 11.810 -17.237 20.036 1.00 0.00 H new ATOM 0 HB2 ASP B 15 10.783 -19.329 20.984 1.00 0.00 H new ATOM 0 HB3 ASP B 15 9.766 -18.379 19.918 1.00 0.00 H new ATOM 1872 N GLY B 16 13.930 -19.380 19.000 1.00 0.00 N ATOM 1873 CA GLY B 16 15.207 -20.003 19.312 1.00 0.00 C ATOM 1874 C GLY B 16 15.128 -21.520 19.223 1.00 0.00 C ATOM 1875 O GLY B 16 16.155 -22.194 19.278 1.00 0.00 O ATOM 0 H GLY B 16 13.697 -19.369 18.007 1.00 0.00 H new ATOM 0 HA2 GLY B 16 15.969 -19.637 18.624 1.00 0.00 H new ATOM 0 HA3 GLY B 16 15.518 -19.713 20.315 1.00 0.00 H new ATOM 1879 N GLU B 17 13.913 -22.049 19.077 1.00 0.00 N ATOM 1880 CA GLU B 17 13.747 -23.502 18.974 1.00 0.00 C ATOM 1881 C GLU B 17 14.152 -23.985 17.580 1.00 0.00 C ATOM 1882 O GLU B 17 13.855 -23.326 16.579 1.00 0.00 O ATOM 1883 CB GLU B 17 12.320 -23.926 19.272 1.00 0.00 C ATOM 1884 CG GLU B 17 11.653 -23.232 20.439 1.00 0.00 C ATOM 1885 CD GLU B 17 12.213 -23.663 21.778 1.00 0.00 C ATOM 1886 OE1 GLU B 17 13.351 -23.253 22.108 1.00 0.00 O ATOM 1887 OE2 GLU B 17 11.525 -24.411 22.502 1.00 0.00 O ATOM 0 H GLU B 17 13.048 -21.511 19.028 1.00 0.00 H new ATOM 0 HA GLU B 17 14.397 -23.960 19.720 1.00 0.00 H new ATOM 0 HB2 GLU B 17 11.717 -23.755 18.380 1.00 0.00 H new ATOM 0 HB3 GLU B 17 12.313 -25.000 19.461 1.00 0.00 H new ATOM 0 HG2 GLU B 17 11.772 -22.154 20.331 1.00 0.00 H new ATOM 0 HG3 GLU B 17 10.583 -23.438 20.415 1.00 0.00 H new ATOM 1894 N THR B 18 14.824 -25.134 17.526 1.00 0.00 N ATOM 1895 CA THR B 18 15.211 -25.716 16.262 1.00 0.00 C ATOM 1896 C THR B 18 14.177 -26.731 15.791 1.00 0.00 C ATOM 1897 O THR B 18 13.800 -27.649 16.520 1.00 0.00 O ATOM 1898 CB THR B 18 16.603 -26.352 16.284 1.00 0.00 C ATOM 1899 OG1 THR B 18 17.589 -25.309 16.407 1.00 0.00 O ATOM 1900 CG2 THR B 18 16.869 -27.107 14.985 1.00 0.00 C ATOM 0 H THR B 18 15.107 -25.672 18.346 1.00 0.00 H new ATOM 0 HA THR B 18 15.256 -24.888 15.554 1.00 0.00 H new ATOM 0 HB THR B 18 16.657 -27.045 17.123 1.00 0.00 H new ATOM 0 HG1 THR B 18 18.485 -25.706 16.424 1.00 0.00 H new ATOM 0 HG21 THR B 18 17.863 -27.552 15.020 1.00 0.00 H new ATOM 0 HG22 THR B 18 16.124 -27.893 14.862 1.00 0.00 H new ATOM 0 HG23 THR B 18 16.810 -26.416 14.144 1.00 0.00 H new ATOM 1908 N LEU B 19 13.627 -26.472 14.616 1.00 0.00 N ATOM 1909 CA LEU B 19 12.630 -27.355 14.017 1.00 0.00 C ATOM 1910 C LEU B 19 13.345 -28.240 12.989 1.00 0.00 C ATOM 1911 O LEU B 19 13.900 -27.706 12.035 1.00 0.00 O ATOM 1912 CB LEU B 19 11.560 -26.532 13.313 1.00 0.00 C ATOM 1913 CG LEU B 19 10.450 -25.879 14.066 1.00 0.00 C ATOM 1914 CD1 LEU B 19 10.622 -25.860 15.572 1.00 0.00 C ATOM 1915 CD2 LEU B 19 10.152 -24.468 13.547 1.00 0.00 C ATOM 0 H LEU B 19 13.854 -25.653 14.052 1.00 0.00 H new ATOM 0 HA LEU B 19 12.154 -27.961 14.788 1.00 0.00 H new ATOM 0 HB2 LEU B 19 12.077 -25.743 12.766 1.00 0.00 H new ATOM 0 HB3 LEU B 19 11.098 -27.184 12.571 1.00 0.00 H new ATOM 0 HG LEU B 19 9.591 -26.521 13.872 1.00 0.00 H new ATOM 0 HD11 LEU B 19 9.765 -25.365 16.030 1.00 0.00 H new ATOM 0 HD12 LEU B 19 10.692 -26.882 15.943 1.00 0.00 H new ATOM 0 HD13 LEU B 19 11.533 -25.319 15.827 1.00 0.00 H new ATOM 0 HD21 LEU B 19 9.337 -24.032 14.125 1.00 0.00 H new ATOM 0 HD22 LEU B 19 11.042 -23.847 13.649 1.00 0.00 H new ATOM 0 HD23 LEU B 19 9.865 -24.520 12.497 1.00 0.00 H new ATOM 1927 N THR B 20 13.384 -29.537 13.258 1.00 0.00 N ATOM 1928 CA THR B 20 14.057 -30.446 12.310 1.00 0.00 C ATOM 1929 C THR B 20 12.994 -31.200 11.525 1.00 0.00 C ATOM 1930 O THR B 20 12.039 -31.707 12.126 1.00 0.00 O ATOM 1931 CB THR B 20 15.003 -31.402 13.029 1.00 0.00 C ATOM 1932 OG1 THR B 20 15.990 -30.634 13.753 1.00 0.00 O ATOM 1933 CG2 THR B 20 15.720 -32.316 12.044 1.00 0.00 C ATOM 0 H THR B 20 12.981 -29.980 14.083 1.00 0.00 H new ATOM 0 HA THR B 20 14.671 -29.864 11.623 1.00 0.00 H new ATOM 0 HB THR B 20 14.415 -32.018 13.710 1.00 0.00 H new ATOM 0 HG1 THR B 20 16.737 -30.416 13.157 1.00 0.00 H new ATOM 0 HG21 THR B 20 16.387 -32.985 12.588 1.00 0.00 H new ATOM 0 HG22 THR B 20 14.986 -32.904 11.493 1.00 0.00 H new ATOM 0 HG23 THR B 20 16.301 -31.714 11.345 1.00 0.00 H new ATOM 1941 N THR B 21 13.064 -31.137 10.200 1.00 0.00 N ATOM 1942 CA THR B 21 12.058 -31.797 9.374 1.00 0.00 C ATOM 1943 C THR B 21 12.647 -32.266 8.057 1.00 0.00 C ATOM 1944 O THR B 21 13.813 -32.012 7.740 1.00 0.00 O ATOM 1945 CB THR B 21 10.836 -30.897 9.117 1.00 0.00 C ATOM 1946 OG1 THR B 21 9.756 -31.678 8.597 1.00 0.00 O ATOM 1947 CG2 THR B 21 11.166 -29.797 8.120 1.00 0.00 C ATOM 0 H THR B 21 13.792 -30.646 9.682 1.00 0.00 H new ATOM 0 HA THR B 21 11.719 -32.668 9.935 1.00 0.00 H new ATOM 0 HB THR B 21 10.551 -30.443 10.066 1.00 0.00 H new ATOM 0 HG1 THR B 21 8.988 -31.617 9.202 1.00 0.00 H new ATOM 0 HG21 THR B 21 10.285 -29.177 7.958 1.00 0.00 H new ATOM 0 HG22 THR B 21 11.976 -29.181 8.512 1.00 0.00 H new ATOM 0 HG23 THR B 21 11.475 -30.243 7.175 1.00 0.00 H new ATOM 1955 N LYS B 22 11.849 -32.999 7.297 1.00 0.00 N ATOM 1956 CA LYS B 22 12.297 -33.541 6.020 1.00 0.00 C ATOM 1957 C LYS B 22 11.428 -33.038 4.880 1.00 0.00 C ATOM 1958 O LYS B 22 10.228 -32.814 5.061 1.00 0.00 O ATOM 1959 CB LYS B 22 12.280 -35.079 6.084 1.00 0.00 C ATOM 1960 CG LYS B 22 13.346 -35.645 7.028 1.00 0.00 C ATOM 1961 CD LYS B 22 13.747 -37.047 6.618 1.00 0.00 C ATOM 1962 CE LYS B 22 13.971 -37.937 7.836 1.00 0.00 C ATOM 1963 NZ LYS B 22 14.938 -39.037 7.511 1.00 0.00 N ATOM 0 H LYS B 22 10.887 -33.234 7.541 1.00 0.00 H new ATOM 0 HA LYS B 22 13.315 -33.202 5.829 1.00 0.00 H new ATOM 0 HB2 LYS B 22 11.296 -35.414 6.412 1.00 0.00 H new ATOM 0 HB3 LYS B 22 12.436 -35.482 5.083 1.00 0.00 H new ATOM 0 HG2 LYS B 22 14.222 -34.997 7.023 1.00 0.00 H new ATOM 0 HG3 LYS B 22 12.964 -35.656 8.049 1.00 0.00 H new ATOM 0 HD2 LYS B 22 12.971 -37.480 5.986 1.00 0.00 H new ATOM 0 HD3 LYS B 22 14.658 -37.007 6.021 1.00 0.00 H new ATOM 0 HE2 LYS B 22 14.354 -37.341 8.664 1.00 0.00 H new ATOM 0 HE3 LYS B 22 13.022 -38.363 8.162 1.00 0.00 H new ATOM 0 HZ1 LYS B 22 15.080 -39.634 8.351 1.00 0.00 H new ATOM 0 HZ2 LYS B 22 14.558 -39.616 6.735 1.00 0.00 H new ATOM 0 HZ3 LYS B 22 15.848 -38.625 7.222 1.00 0.00 H new ATOM 1977 N GLY B 23 12.029 -32.817 3.729 1.00 0.00 N ATOM 1978 CA GLY B 23 11.335 -32.444 2.518 1.00 0.00 C ATOM 1979 C GLY B 23 11.929 -33.235 1.341 1.00 0.00 C ATOM 1980 O GLY B 23 13.017 -33.789 1.477 1.00 0.00 O ATOM 0 H GLY B 23 13.039 -32.894 3.609 1.00 0.00 H new ATOM 0 HA2 GLY B 23 10.270 -32.654 2.614 1.00 0.00 H new ATOM 0 HA3 GLY B 23 11.434 -31.373 2.341 1.00 0.00 H new ATOM 1984 N LYS B 24 11.236 -33.251 0.212 1.00 0.00 N ATOM 1985 CA LYS B 24 11.741 -33.963 -0.960 1.00 0.00 C ATOM 1986 C LYS B 24 12.429 -33.005 -1.920 1.00 0.00 C ATOM 1987 O LYS B 24 11.977 -31.870 -2.093 1.00 0.00 O ATOM 1988 CB LYS B 24 10.626 -34.713 -1.681 1.00 0.00 C ATOM 1989 CG LYS B 24 9.216 -34.389 -1.232 1.00 0.00 C ATOM 1990 CD LYS B 24 8.269 -34.256 -2.419 1.00 0.00 C ATOM 1991 CE LYS B 24 8.048 -35.585 -3.116 1.00 0.00 C ATOM 1992 NZ LYS B 24 7.081 -35.458 -4.250 1.00 0.00 N ATOM 0 H LYS B 24 10.337 -32.788 0.079 1.00 0.00 H new ATOM 0 HA LYS B 24 12.470 -34.693 -0.607 1.00 0.00 H new ATOM 0 HB2 LYS B 24 10.704 -34.504 -2.748 1.00 0.00 H new ATOM 0 HB3 LYS B 24 10.791 -35.783 -1.553 1.00 0.00 H new ATOM 0 HG2 LYS B 24 8.857 -35.172 -0.564 1.00 0.00 H new ATOM 0 HG3 LYS B 24 9.219 -33.460 -0.662 1.00 0.00 H new ATOM 0 HD2 LYS B 24 7.312 -33.861 -2.078 1.00 0.00 H new ATOM 0 HD3 LYS B 24 8.676 -33.536 -3.129 1.00 0.00 H new ATOM 0 HE2 LYS B 24 9.000 -35.963 -3.489 1.00 0.00 H new ATOM 0 HE3 LYS B 24 7.674 -36.315 -2.398 1.00 0.00 H new ATOM 0 HZ1 LYS B 24 6.954 -36.385 -4.703 1.00 0.00 H new ATOM 0 HZ2 LYS B 24 6.166 -35.120 -3.890 1.00 0.00 H new ATOM 0 HZ3 LYS B 24 7.450 -34.780 -4.947 1.00 0.00 H new ATOM 2006 N ILE B 25 13.505 -33.468 -2.562 1.00 0.00 N ATOM 2007 CA ILE B 25 14.181 -32.576 -3.528 1.00 0.00 C ATOM 2008 C ILE B 25 13.145 -32.071 -4.520 1.00 0.00 C ATOM 2009 O ILE B 25 12.186 -32.780 -4.856 1.00 0.00 O ATOM 2010 CB ILE B 25 15.419 -33.157 -4.144 1.00 0.00 C ATOM 2011 CG1 ILE B 25 15.462 -33.130 -5.658 1.00 0.00 C ATOM 2012 CG2 ILE B 25 15.722 -34.556 -3.621 1.00 0.00 C ATOM 2013 CD1 ILE B 25 16.214 -31.966 -6.259 1.00 0.00 C ATOM 0 H ILE B 25 13.913 -34.396 -2.448 1.00 0.00 H new ATOM 0 HA ILE B 25 14.589 -31.718 -2.994 1.00 0.00 H new ATOM 0 HB ILE B 25 16.209 -32.480 -3.820 1.00 0.00 H new ATOM 0 HG12 ILE B 25 15.917 -34.056 -6.009 1.00 0.00 H new ATOM 0 HG13 ILE B 25 14.439 -33.114 -6.034 1.00 0.00 H new ATOM 0 HG21 ILE B 25 16.627 -34.934 -4.096 1.00 0.00 H new ATOM 0 HG22 ILE B 25 15.868 -34.517 -2.542 1.00 0.00 H new ATOM 0 HG23 ILE B 25 14.888 -35.219 -3.850 1.00 0.00 H new ATOM 0 HD11 ILE B 25 16.187 -32.038 -7.346 1.00 0.00 H new ATOM 0 HD12 ILE B 25 15.749 -31.031 -5.945 1.00 0.00 H new ATOM 0 HD13 ILE B 25 17.250 -31.988 -5.920 1.00 0.00 H new ATOM 2025 N GLY B 26 13.194 -30.773 -4.803 1.00 0.00 N ATOM 2026 CA GLY B 26 12.263 -30.128 -5.697 1.00 0.00 C ATOM 2027 C GLY B 26 11.187 -29.352 -4.940 1.00 0.00 C ATOM 2028 O GLY B 26 10.566 -28.468 -5.521 1.00 0.00 O ATOM 0 H GLY B 26 13.891 -30.141 -4.410 1.00 0.00 H new ATOM 0 HA2 GLY B 26 12.804 -29.449 -6.356 1.00 0.00 H new ATOM 0 HA3 GLY B 26 11.791 -30.878 -6.331 1.00 0.00 H new ATOM 2032 N ASP B 27 10.942 -29.707 -3.696 1.00 0.00 N ATOM 2033 CA ASP B 27 9.972 -29.022 -2.848 1.00 0.00 C ATOM 2034 C ASP B 27 10.487 -27.617 -2.496 1.00 0.00 C ATOM 2035 O ASP B 27 11.678 -27.441 -2.274 1.00 0.00 O ATOM 2036 CB ASP B 27 9.814 -29.802 -1.536 1.00 0.00 C ATOM 2037 CG ASP B 27 8.625 -30.710 -1.463 1.00 0.00 C ATOM 2038 OD1 ASP B 27 7.975 -30.998 -2.489 1.00 0.00 O ATOM 2039 OD2 ASP B 27 8.314 -31.171 -0.324 1.00 0.00 O ATOM 0 H ASP B 27 11.412 -30.486 -3.235 1.00 0.00 H new ATOM 0 HA ASP B 27 9.023 -28.955 -3.380 1.00 0.00 H new ATOM 0 HB2 ASP B 27 10.713 -30.397 -1.377 1.00 0.00 H new ATOM 0 HB3 ASP B 27 9.755 -29.088 -0.714 1.00 0.00 H new ATOM 2044 N SER B 28 9.584 -26.639 -2.439 1.00 0.00 N ATOM 2045 CA SER B 28 10.043 -25.297 -1.989 1.00 0.00 C ATOM 2046 C SER B 28 10.182 -25.326 -0.483 1.00 0.00 C ATOM 2047 O SER B 28 9.649 -26.237 0.190 1.00 0.00 O ATOM 2048 CB SER B 28 9.080 -24.206 -2.456 1.00 0.00 C ATOM 2049 OG SER B 28 8.051 -24.007 -1.508 1.00 0.00 O ATOM 0 H SER B 28 8.596 -26.722 -2.677 1.00 0.00 H new ATOM 0 HA SER B 28 11.010 -25.060 -2.432 1.00 0.00 H new ATOM 0 HB2 SER B 28 9.625 -23.275 -2.609 1.00 0.00 H new ATOM 0 HB3 SER B 28 8.647 -24.484 -3.417 1.00 0.00 H new ATOM 0 HG SER B 28 7.446 -23.304 -1.825 1.00 0.00 H new ATOM 2055 N LEU B 29 10.851 -24.334 0.093 1.00 0.00 N ATOM 2056 CA LEU B 29 10.959 -24.267 1.555 1.00 0.00 C ATOM 2057 C LEU B 29 9.629 -23.928 2.196 1.00 0.00 C ATOM 2058 O LEU B 29 9.348 -24.347 3.319 1.00 0.00 O ATOM 2059 CB LEU B 29 12.075 -23.294 1.938 1.00 0.00 C ATOM 2060 CG LEU B 29 13.475 -24.000 1.914 1.00 0.00 C ATOM 2061 CD1 LEU B 29 14.567 -22.969 1.874 1.00 0.00 C ATOM 2062 CD2 LEU B 29 13.571 -24.897 3.139 1.00 0.00 C ATOM 0 H LEU B 29 11.318 -23.580 -0.410 1.00 0.00 H new ATOM 0 HA LEU B 29 11.227 -25.249 1.944 1.00 0.00 H new ATOM 0 HB2 LEU B 29 12.078 -22.450 1.248 1.00 0.00 H new ATOM 0 HB3 LEU B 29 11.885 -22.891 2.933 1.00 0.00 H new ATOM 0 HG LEU B 29 13.591 -24.615 1.021 1.00 0.00 H new ATOM 0 HD11 LEU B 29 15.537 -23.467 1.858 1.00 0.00 H new ATOM 0 HD12 LEU B 29 14.458 -22.358 0.978 1.00 0.00 H new ATOM 0 HD13 LEU B 29 14.500 -22.334 2.757 1.00 0.00 H new ATOM 0 HD21 LEU B 29 14.538 -25.401 3.146 1.00 0.00 H new ATOM 0 HD22 LEU B 29 13.470 -24.293 4.041 1.00 0.00 H new ATOM 0 HD23 LEU B 29 12.774 -25.640 3.109 1.00 0.00 H new ATOM 2074 N LEU B 30 8.743 -23.278 1.450 1.00 0.00 N ATOM 2075 CA LEU B 30 7.382 -23.009 1.970 1.00 0.00 C ATOM 2076 C LEU B 30 6.597 -24.316 2.020 1.00 0.00 C ATOM 2077 O LEU B 30 5.938 -24.619 3.024 1.00 0.00 O ATOM 2078 CB LEU B 30 6.680 -21.978 1.097 1.00 0.00 C ATOM 2079 CG LEU B 30 5.170 -21.805 1.349 1.00 0.00 C ATOM 2080 CD1 LEU B 30 4.920 -21.364 2.794 1.00 0.00 C ATOM 2081 CD2 LEU B 30 4.565 -20.811 0.380 1.00 0.00 C ATOM 0 H LEU B 30 8.922 -22.931 0.508 1.00 0.00 H new ATOM 0 HA LEU B 30 7.447 -22.600 2.978 1.00 0.00 H new ATOM 0 HB2 LEU B 30 7.167 -21.014 1.243 1.00 0.00 H new ATOM 0 HB3 LEU B 30 6.826 -22.254 0.053 1.00 0.00 H new ATOM 0 HG LEU B 30 4.687 -22.768 1.187 1.00 0.00 H new ATOM 0 HD11 LEU B 30 3.849 -21.246 2.958 1.00 0.00 H new ATOM 0 HD12 LEU B 30 5.311 -22.118 3.477 1.00 0.00 H new ATOM 0 HD13 LEU B 30 5.422 -20.414 2.977 1.00 0.00 H new ATOM 0 HD21 LEU B 30 3.499 -20.709 0.582 1.00 0.00 H new ATOM 0 HD22 LEU B 30 5.051 -19.843 0.501 1.00 0.00 H new ATOM 0 HD23 LEU B 30 4.709 -21.164 -0.641 1.00 0.00 H new ATOM 2093 N ASP B 31 6.738 -25.115 0.964 1.00 0.00 N ATOM 2094 CA ASP B 31 6.154 -26.455 0.933 1.00 0.00 C ATOM 2095 C ASP B 31 6.588 -27.249 2.166 1.00 0.00 C ATOM 2096 O ASP B 31 5.763 -27.821 2.878 1.00 0.00 O ATOM 2097 CB ASP B 31 6.555 -27.221 -0.314 1.00 0.00 C ATOM 2098 CG ASP B 31 6.076 -26.622 -1.615 1.00 0.00 C ATOM 2099 OD1 ASP B 31 5.040 -25.937 -1.625 1.00 0.00 O ATOM 2100 OD2 ASP B 31 6.750 -26.845 -2.656 1.00 0.00 O ATOM 0 H ASP B 31 7.250 -24.859 0.120 1.00 0.00 H new ATOM 0 HA ASP B 31 5.071 -26.332 0.927 1.00 0.00 H new ATOM 0 HB2 ASP B 31 7.642 -27.293 -0.344 1.00 0.00 H new ATOM 0 HB3 ASP B 31 6.170 -28.238 -0.237 1.00 0.00 H new ATOM 2105 N VAL B 32 7.889 -27.196 2.469 1.00 0.00 N ATOM 2106 CA VAL B 32 8.418 -27.861 3.644 1.00 0.00 C ATOM 2107 C VAL B 32 7.726 -27.388 4.913 1.00 0.00 C ATOM 2108 O VAL B 32 7.412 -28.196 5.808 1.00 0.00 O ATOM 2109 CB VAL B 32 9.939 -27.668 3.791 1.00 0.00 C ATOM 2110 CG1 VAL B 32 10.454 -28.395 5.027 1.00 0.00 C ATOM 2111 CG2 VAL B 32 10.663 -28.168 2.545 1.00 0.00 C ATOM 0 H VAL B 32 8.586 -26.699 1.914 1.00 0.00 H new ATOM 0 HA VAL B 32 8.219 -28.923 3.502 1.00 0.00 H new ATOM 0 HB VAL B 32 10.139 -26.603 3.907 1.00 0.00 H new ATOM 0 HG11 VAL B 32 11.530 -28.247 5.114 1.00 0.00 H new ATOM 0 HG12 VAL B 32 9.960 -27.999 5.914 1.00 0.00 H new ATOM 0 HG13 VAL B 32 10.240 -29.460 4.938 1.00 0.00 H new ATOM 0 HG21 VAL B 32 11.737 -28.024 2.666 1.00 0.00 H new ATOM 0 HG22 VAL B 32 10.453 -29.228 2.403 1.00 0.00 H new ATOM 0 HG23 VAL B 32 10.318 -27.610 1.675 1.00 0.00 H new ATOM 2121 N VAL B 33 7.553 -26.072 5.047 1.00 0.00 N ATOM 2122 CA VAL B 33 6.927 -25.546 6.258 1.00 0.00 C ATOM 2123 C VAL B 33 5.455 -25.924 6.304 1.00 0.00 C ATOM 2124 O VAL B 33 4.954 -26.351 7.358 1.00 0.00 O ATOM 2125 CB VAL B 33 7.115 -24.026 6.386 1.00 0.00 C ATOM 2126 CG1 VAL B 33 6.242 -23.446 7.478 1.00 0.00 C ATOM 2127 CG2 VAL B 33 8.600 -23.733 6.708 1.00 0.00 C ATOM 0 H VAL B 33 7.827 -25.372 4.357 1.00 0.00 H new ATOM 0 HA VAL B 33 7.426 -26.001 7.113 1.00 0.00 H new ATOM 0 HB VAL B 33 6.825 -23.562 5.443 1.00 0.00 H new ATOM 0 HG11 VAL B 33 6.402 -22.370 7.539 1.00 0.00 H new ATOM 0 HG12 VAL B 33 5.195 -23.645 7.251 1.00 0.00 H new ATOM 0 HG13 VAL B 33 6.500 -23.906 8.432 1.00 0.00 H new ATOM 0 HG21 VAL B 33 8.747 -22.657 6.801 1.00 0.00 H new ATOM 0 HG22 VAL B 33 8.872 -24.219 7.645 1.00 0.00 H new ATOM 0 HG23 VAL B 33 9.229 -24.116 5.905 1.00 0.00 H new ATOM 2137 N VAL B 34 4.767 -25.791 5.183 1.00 0.00 N ATOM 2138 CA VAL B 34 3.311 -26.015 5.156 1.00 0.00 C ATOM 2139 C VAL B 34 2.941 -27.457 5.357 1.00 0.00 C ATOM 2140 O VAL B 34 2.154 -27.787 6.275 1.00 0.00 O ATOM 2141 CB VAL B 34 2.713 -25.407 3.884 1.00 0.00 C ATOM 2142 CG1 VAL B 34 1.346 -25.957 3.550 1.00 0.00 C ATOM 2143 CG2 VAL B 34 2.654 -23.876 4.030 1.00 0.00 C ATOM 0 H VAL B 34 5.176 -25.533 4.285 1.00 0.00 H new ATOM 0 HA VAL B 34 2.869 -25.499 6.008 1.00 0.00 H new ATOM 0 HB VAL B 34 3.364 -25.682 3.054 1.00 0.00 H new ATOM 0 HG11 VAL B 34 0.977 -25.486 2.639 1.00 0.00 H new ATOM 0 HG12 VAL B 34 1.414 -27.034 3.400 1.00 0.00 H new ATOM 0 HG13 VAL B 34 0.659 -25.747 4.370 1.00 0.00 H new ATOM 0 HG21 VAL B 34 2.229 -23.440 3.126 1.00 0.00 H new ATOM 0 HG22 VAL B 34 2.031 -23.616 4.886 1.00 0.00 H new ATOM 0 HG23 VAL B 34 3.660 -23.486 4.182 1.00 0.00 H new ATOM 2153 N GLN B 35 3.554 -28.387 4.628 1.00 0.00 N ATOM 2154 CA GLN B 35 3.226 -29.794 4.745 1.00 0.00 C ATOM 2155 C GLN B 35 3.494 -30.369 6.118 1.00 0.00 C ATOM 2156 O GLN B 35 2.698 -31.166 6.636 1.00 0.00 O ATOM 2157 CB GLN B 35 3.946 -30.617 3.678 1.00 0.00 C ATOM 2158 CG GLN B 35 3.132 -30.708 2.377 1.00 0.00 C ATOM 2159 CD GLN B 35 4.013 -30.458 1.171 1.00 0.00 C ATOM 2160 OE1 GLN B 35 5.052 -31.112 1.028 1.00 0.00 O ATOM 2161 NE2 GLN B 35 3.633 -29.513 0.331 1.00 0.00 N ATOM 0 H GLN B 35 4.285 -28.183 3.947 1.00 0.00 H new ATOM 0 HA GLN B 35 2.149 -29.858 4.587 1.00 0.00 H new ATOM 0 HB2 GLN B 35 4.917 -30.169 3.468 1.00 0.00 H new ATOM 0 HB3 GLN B 35 4.134 -31.621 4.059 1.00 0.00 H new ATOM 0 HG2 GLN B 35 2.672 -31.693 2.299 1.00 0.00 H new ATOM 0 HG3 GLN B 35 2.322 -29.979 2.398 1.00 0.00 H new ATOM 0 HE21 GLN B 35 2.765 -29.003 0.496 1.00 0.00 H new ATOM 0 HE22 GLN B 35 4.207 -29.293 -0.483 1.00 0.00 H new ATOM 2170 N ASN B 36 4.601 -29.980 6.737 1.00 0.00 N ATOM 2171 CA ASN B 36 5.003 -30.512 8.024 1.00 0.00 C ATOM 2172 C ASN B 36 4.453 -29.738 9.191 1.00 0.00 C ATOM 2173 O ASN B 36 4.891 -29.942 10.335 1.00 0.00 O ATOM 2174 CB ASN B 36 6.538 -30.590 8.103 1.00 0.00 C ATOM 2175 CG ASN B 36 7.130 -31.256 6.883 1.00 0.00 C ATOM 2176 OD1 ASN B 36 6.769 -32.389 6.547 1.00 0.00 O ATOM 2177 ND2 ASN B 36 8.032 -30.577 6.205 1.00 0.00 N ATOM 0 H ASN B 36 5.244 -29.285 6.357 1.00 0.00 H new ATOM 0 HA ASN B 36 4.576 -31.512 8.097 1.00 0.00 H new ATOM 0 HB2 ASN B 36 6.948 -29.585 8.203 1.00 0.00 H new ATOM 0 HB3 ASN B 36 6.828 -31.144 8.996 1.00 0.00 H new ATOM 0 HD21 ASN B 36 8.457 -30.984 5.372 1.00 0.00 H new ATOM 0 HD22 ASN B 36 8.305 -29.644 6.513 1.00 0.00 H new ATOM 2184 N ASN B 37 3.544 -28.796 8.951 1.00 0.00 N ATOM 2185 CA ASN B 37 2.927 -27.996 9.966 1.00 0.00 C ATOM 2186 C ASN B 37 3.921 -27.382 10.937 1.00 0.00 C ATOM 2187 O ASN B 37 3.672 -27.371 12.149 1.00 0.00 O ATOM 2188 CB ASN B 37 1.906 -28.829 10.779 1.00 0.00 C ATOM 2189 CG ASN B 37 0.573 -28.940 10.067 1.00 0.00 C ATOM 2190 OD1 ASN B 37 -0.020 -27.938 9.675 1.00 0.00 O ATOM 2191 ND2 ASN B 37 0.113 -30.173 9.896 1.00 0.00 N ATOM 0 H ASN B 37 3.217 -28.574 8.011 1.00 0.00 H new ATOM 0 HA ASN B 37 2.429 -27.186 9.433 1.00 0.00 H new ATOM 0 HB2 ASN B 37 2.309 -29.827 10.954 1.00 0.00 H new ATOM 0 HB3 ASN B 37 1.758 -28.369 11.756 1.00 0.00 H new ATOM 0 HD21 ASN B 37 -0.775 -30.324 9.418 1.00 0.00 H new ATOM 0 HD22 ASN B 37 0.648 -30.969 10.242 1.00 0.00 H new ATOM 2198 N LEU B 38 5.008 -26.822 10.416 1.00 0.00 N ATOM 2199 CA LEU B 38 5.997 -26.171 11.279 1.00 0.00 C ATOM 2200 C LEU B 38 5.398 -24.956 11.954 1.00 0.00 C ATOM 2201 O LEU B 38 4.658 -24.183 11.332 1.00 0.00 O ATOM 2202 CB LEU B 38 7.239 -25.825 10.449 1.00 0.00 C ATOM 2203 CG LEU B 38 8.402 -26.805 10.548 1.00 0.00 C ATOM 2204 CD1 LEU B 38 7.925 -28.249 10.454 1.00 0.00 C ATOM 2205 CD2 LEU B 38 9.473 -26.521 9.510 1.00 0.00 C ATOM 0 H LEU B 38 5.228 -26.803 9.420 1.00 0.00 H new ATOM 0 HA LEU B 38 6.300 -26.851 12.075 1.00 0.00 H new ATOM 0 HB2 LEU B 38 6.943 -25.748 9.403 1.00 0.00 H new ATOM 0 HB3 LEU B 38 7.593 -24.840 10.754 1.00 0.00 H new ATOM 0 HG LEU B 38 8.852 -26.662 11.531 1.00 0.00 H new ATOM 0 HD11 LEU B 38 8.781 -28.920 10.528 1.00 0.00 H new ATOM 0 HD12 LEU B 38 7.230 -28.456 11.267 1.00 0.00 H new ATOM 0 HD13 LEU B 38 7.423 -28.405 9.499 1.00 0.00 H new ATOM 0 HD21 LEU B 38 10.283 -27.243 9.616 1.00 0.00 H new ATOM 0 HD22 LEU B 38 9.043 -26.602 8.512 1.00 0.00 H new ATOM 0 HD23 LEU B 38 9.863 -25.514 9.656 1.00 0.00 H new ATOM 2217 N ASP B 39 5.732 -24.741 13.212 1.00 0.00 N ATOM 2218 CA ASP B 39 5.157 -23.651 14.018 1.00 0.00 C ATOM 2219 C ASP B 39 5.893 -22.352 13.826 1.00 0.00 C ATOM 2220 O ASP B 39 6.622 -21.856 14.699 1.00 0.00 O ATOM 2221 CB ASP B 39 5.150 -24.107 15.478 1.00 0.00 C ATOM 2222 CG ASP B 39 4.960 -23.029 16.500 1.00 0.00 C ATOM 2223 OD1 ASP B 39 4.024 -22.208 16.359 1.00 0.00 O ATOM 2224 OD2 ASP B 39 5.779 -22.957 17.457 1.00 0.00 O ATOM 0 H ASP B 39 6.410 -25.312 13.716 1.00 0.00 H new ATOM 0 HA ASP B 39 4.137 -23.447 13.692 1.00 0.00 H new ATOM 0 HB2 ASP B 39 4.357 -24.844 15.604 1.00 0.00 H new ATOM 0 HB3 ASP B 39 6.092 -24.614 15.684 1.00 0.00 H new ATOM 2229 N ILE B 40 5.807 -21.782 12.602 1.00 0.00 N ATOM 2230 CA ILE B 40 6.499 -20.510 12.344 1.00 0.00 C ATOM 2231 C ILE B 40 5.447 -19.439 12.074 1.00 0.00 C ATOM 2232 O ILE B 40 4.780 -19.443 11.046 1.00 0.00 O ATOM 2233 CB ILE B 40 7.534 -20.590 11.236 1.00 0.00 C ATOM 2234 CG1 ILE B 40 8.579 -21.680 11.515 1.00 0.00 C ATOM 2235 CG2 ILE B 40 8.246 -19.245 11.065 1.00 0.00 C ATOM 2236 CD1 ILE B 40 9.233 -22.239 10.255 1.00 0.00 C ATOM 0 H ILE B 40 5.288 -22.166 11.812 1.00 0.00 H new ATOM 0 HA ILE B 40 7.078 -20.249 13.230 1.00 0.00 H new ATOM 0 HB ILE B 40 7.002 -20.844 10.319 1.00 0.00 H new ATOM 0 HG12 ILE B 40 9.353 -21.271 12.165 1.00 0.00 H new ATOM 0 HG13 ILE B 40 8.104 -22.496 12.060 1.00 0.00 H new ATOM 0 HG21 ILE B 40 8.984 -19.323 10.266 1.00 0.00 H new ATOM 0 HG22 ILE B 40 7.516 -18.477 10.811 1.00 0.00 H new ATOM 0 HG23 ILE B 40 8.746 -18.977 11.996 1.00 0.00 H new ATOM 0 HD11 ILE B 40 9.959 -23.004 10.531 1.00 0.00 H new ATOM 0 HD12 ILE B 40 8.469 -22.678 9.613 1.00 0.00 H new ATOM 0 HD13 ILE B 40 9.738 -21.435 9.720 1.00 0.00 H new ATOM 2248 N ASP B 41 5.252 -18.579 13.073 1.00 0.00 N ATOM 2249 CA ASP B 41 4.187 -17.579 13.001 1.00 0.00 C ATOM 2250 C ASP B 41 4.227 -16.818 11.681 1.00 0.00 C ATOM 2251 O ASP B 41 5.267 -16.323 11.239 1.00 0.00 O ATOM 2252 CB ASP B 41 4.268 -16.612 14.168 1.00 0.00 C ATOM 2253 CG ASP B 41 4.100 -17.288 15.519 1.00 0.00 C ATOM 2254 OD1 ASP B 41 3.480 -18.364 15.580 1.00 0.00 O ATOM 2255 OD2 ASP B 41 4.643 -16.741 16.502 1.00 0.00 O ATOM 0 H ASP B 41 5.807 -18.553 13.928 1.00 0.00 H new ATOM 0 HA ASP B 41 3.237 -18.111 13.057 1.00 0.00 H new ATOM 0 HB2 ASP B 41 5.230 -16.101 14.142 1.00 0.00 H new ATOM 0 HB3 ASP B 41 3.499 -15.849 14.053 1.00 0.00 H new ATOM 2260 N GLY B 42 3.092 -16.792 11.002 1.00 0.00 N ATOM 2261 CA GLY B 42 2.832 -16.078 9.811 1.00 0.00 C ATOM 2262 C GLY B 42 3.477 -16.575 8.553 1.00 0.00 C ATOM 2263 O GLY B 42 3.304 -15.961 7.483 1.00 0.00 O ATOM 0 H GLY B 42 2.277 -17.320 11.314 1.00 0.00 H new ATOM 0 HA2 GLY B 42 1.753 -16.066 9.654 1.00 0.00 H new ATOM 0 HA3 GLY B 42 3.143 -15.045 9.963 1.00 0.00 H new ATOM 2267 N PHE B 43 4.247 -17.655 8.615 1.00 0.00 N ATOM 2268 CA PHE B 43 5.060 -18.051 7.450 1.00 0.00 C ATOM 2269 C PHE B 43 4.216 -18.467 6.282 1.00 0.00 C ATOM 2270 O PHE B 43 3.338 -19.351 6.408 1.00 0.00 O ATOM 2271 CB PHE B 43 6.047 -19.136 7.893 1.00 0.00 C ATOM 2272 CG PHE B 43 7.176 -19.377 6.940 1.00 0.00 C ATOM 2273 CD1 PHE B 43 7.007 -20.141 5.811 1.00 0.00 C ATOM 2274 CD2 PHE B 43 8.445 -18.872 7.218 1.00 0.00 C ATOM 2275 CE1 PHE B 43 8.056 -20.402 4.950 1.00 0.00 C ATOM 2276 CE2 PHE B 43 9.505 -19.127 6.372 1.00 0.00 C ATOM 2277 CZ PHE B 43 9.315 -19.883 5.232 1.00 0.00 C ATOM 0 H PHE B 43 4.332 -18.263 9.430 1.00 0.00 H new ATOM 0 HA PHE B 43 5.624 -17.191 7.090 1.00 0.00 H new ATOM 0 HB2 PHE B 43 6.460 -18.859 8.863 1.00 0.00 H new ATOM 0 HB3 PHE B 43 5.502 -20.069 8.034 1.00 0.00 H new ATOM 0 HD1 PHE B 43 6.031 -20.547 5.591 1.00 0.00 H new ATOM 0 HD2 PHE B 43 8.600 -18.275 8.105 1.00 0.00 H new ATOM 0 HE1 PHE B 43 7.900 -21.003 4.067 1.00 0.00 H new ATOM 0 HE2 PHE B 43 10.485 -18.735 6.602 1.00 0.00 H new ATOM 0 HZ PHE B 43 10.141 -20.070 4.562 1.00 0.00 H new ATOM 2287 N GLY B 44 4.427 -17.858 5.113 1.00 0.00 N ATOM 2288 CA GLY B 44 3.724 -18.280 3.899 1.00 0.00 C ATOM 2289 C GLY B 44 2.403 -17.550 3.704 1.00 0.00 C ATOM 2290 O GLY B 44 1.512 -18.045 2.989 1.00 0.00 O ATOM 0 H GLY B 44 5.072 -17.079 4.981 1.00 0.00 H new ATOM 0 HA2 GLY B 44 4.363 -18.104 3.034 1.00 0.00 H new ATOM 0 HA3 GLY B 44 3.538 -19.353 3.945 1.00 0.00 H new ATOM 2294 N ALA B 45 2.298 -16.341 4.210 1.00 0.00 N ATOM 2295 CA ALA B 45 1.077 -15.549 4.142 1.00 0.00 C ATOM 2296 C ALA B 45 0.432 -15.487 2.790 1.00 0.00 C ATOM 2297 O ALA B 45 -0.802 -15.704 2.682 1.00 0.00 O ATOM 2298 CB ALA B 45 1.363 -14.146 4.693 1.00 0.00 C ATOM 0 H ALA B 45 3.065 -15.869 4.688 1.00 0.00 H new ATOM 0 HA ALA B 45 0.338 -16.061 4.758 1.00 0.00 H new ATOM 0 HB1 ALA B 45 0.455 -13.545 4.647 1.00 0.00 H new ATOM 0 HB2 ALA B 45 1.695 -14.222 5.728 1.00 0.00 H new ATOM 0 HB3 ALA B 45 2.143 -13.673 4.096 1.00 0.00 H new ATOM 2304 N CYS B 46 1.145 -15.140 1.729 1.00 0.00 N ATOM 2305 CA CYS B 46 0.615 -15.070 0.379 1.00 0.00 C ATOM 2306 C CYS B 46 0.611 -16.406 -0.338 1.00 0.00 C ATOM 2307 O CYS B 46 0.301 -16.480 -1.540 1.00 0.00 O ATOM 2308 CB CYS B 46 1.310 -14.006 -0.459 1.00 0.00 C ATOM 2309 SG CYS B 46 2.913 -14.411 -1.189 1.00 0.00 S ATOM 0 H CYS B 46 2.133 -14.893 1.786 1.00 0.00 H new ATOM 0 HA CYS B 46 -0.428 -14.777 0.498 1.00 0.00 H new ATOM 0 HB2 CYS B 46 0.636 -13.726 -1.269 1.00 0.00 H new ATOM 0 HB3 CYS B 46 1.442 -13.123 0.166 1.00 0.00 H new ATOM 2314 N GLU B 47 0.968 -17.483 0.353 1.00 0.00 N ATOM 2315 CA GLU B 47 1.002 -18.809 -0.249 1.00 0.00 C ATOM 2316 C GLU B 47 1.865 -18.822 -1.499 1.00 0.00 C ATOM 2317 O GLU B 47 1.493 -19.359 -2.540 1.00 0.00 O ATOM 2318 CB GLU B 47 -0.430 -19.271 -0.573 1.00 0.00 C ATOM 2319 CG GLU B 47 -1.266 -19.537 0.673 1.00 0.00 C ATOM 2320 CD GLU B 47 -2.750 -19.621 0.371 1.00 0.00 C ATOM 2321 OE1 GLU B 47 -3.376 -18.554 0.187 1.00 0.00 O ATOM 2322 OE2 GLU B 47 -3.290 -20.745 0.318 1.00 0.00 O ATOM 0 H GLU B 47 1.239 -17.462 1.336 1.00 0.00 H new ATOM 0 HA GLU B 47 1.446 -19.502 0.465 1.00 0.00 H new ATOM 0 HB2 GLU B 47 -0.923 -18.511 -1.179 1.00 0.00 H new ATOM 0 HB3 GLU B 47 -0.386 -20.179 -1.175 1.00 0.00 H new ATOM 0 HG2 GLU B 47 -0.939 -20.469 1.133 1.00 0.00 H new ATOM 0 HG3 GLU B 47 -1.091 -18.744 1.400 1.00 0.00 H new ATOM 2329 N GLY B 48 3.040 -18.189 -1.420 1.00 0.00 N ATOM 2330 CA GLY B 48 4.024 -18.159 -2.432 1.00 0.00 C ATOM 2331 C GLY B 48 3.732 -17.464 -3.725 1.00 0.00 C ATOM 2332 O GLY B 48 4.116 -17.980 -4.801 1.00 0.00 O ATOM 0 H GLY B 48 3.316 -17.664 -0.590 1.00 0.00 H new ATOM 0 HA2 GLY B 48 4.915 -17.697 -2.007 1.00 0.00 H new ATOM 0 HA3 GLY B 48 4.282 -19.192 -2.667 1.00 0.00 H new ATOM 2336 N THR B 49 3.211 -16.243 -3.712 1.00 0.00 N ATOM 2337 CA THR B 49 2.951 -15.490 -4.934 1.00 0.00 C ATOM 2338 C THR B 49 3.744 -14.198 -4.979 1.00 0.00 C ATOM 2339 O THR B 49 3.413 -13.263 -5.717 1.00 0.00 O ATOM 2340 CB THR B 49 1.444 -15.153 -5.079 1.00 0.00 C ATOM 2341 OG1 THR B 49 1.053 -14.338 -3.970 1.00 0.00 O ATOM 2342 CG2 THR B 49 0.603 -16.409 -5.129 1.00 0.00 C ATOM 0 H THR B 49 2.957 -15.748 -2.857 1.00 0.00 H new ATOM 0 HA THR B 49 3.264 -16.129 -5.760 1.00 0.00 H new ATOM 0 HB THR B 49 1.285 -14.617 -6.015 1.00 0.00 H new ATOM 0 HG1 THR B 49 1.758 -14.351 -3.290 1.00 0.00 H new ATOM 0 HG21 THR B 49 -0.448 -16.139 -5.231 1.00 0.00 H new ATOM 0 HG22 THR B 49 0.906 -17.016 -5.982 1.00 0.00 H new ATOM 0 HG23 THR B 49 0.744 -16.978 -4.210 1.00 0.00 H new ATOM 2350 N LEU B 50 4.761 -14.085 -4.116 1.00 0.00 N ATOM 2351 CA LEU B 50 5.586 -12.897 -4.057 1.00 0.00 C ATOM 2352 C LEU B 50 4.798 -11.641 -3.745 1.00 0.00 C ATOM 2353 O LEU B 50 5.065 -10.563 -4.288 1.00 0.00 O ATOM 2354 CB LEU B 50 6.409 -12.741 -5.338 1.00 0.00 C ATOM 2355 CG LEU B 50 7.455 -13.851 -5.573 1.00 0.00 C ATOM 2356 CD1 LEU B 50 8.267 -13.562 -6.818 1.00 0.00 C ATOM 2357 CD2 LEU B 50 8.380 -13.945 -4.352 1.00 0.00 C ATOM 0 H LEU B 50 5.024 -14.812 -3.451 1.00 0.00 H new ATOM 0 HA LEU B 50 6.273 -13.034 -3.222 1.00 0.00 H new ATOM 0 HB2 LEU B 50 5.729 -12.716 -6.189 1.00 0.00 H new ATOM 0 HB3 LEU B 50 6.921 -11.779 -5.310 1.00 0.00 H new ATOM 0 HG LEU B 50 6.939 -14.801 -5.714 1.00 0.00 H new ATOM 0 HD11 LEU B 50 8.999 -14.356 -6.967 1.00 0.00 H new ATOM 0 HD12 LEU B 50 7.604 -13.513 -7.682 1.00 0.00 H new ATOM 0 HD13 LEU B 50 8.783 -12.609 -6.703 1.00 0.00 H new ATOM 0 HD21 LEU B 50 9.120 -14.729 -4.516 1.00 0.00 H new ATOM 0 HD22 LEU B 50 8.887 -12.991 -4.206 1.00 0.00 H new ATOM 0 HD23 LEU B 50 7.790 -14.182 -3.466 1.00 0.00 H new ATOM 2369 N ALA B 51 3.916 -11.732 -2.753 1.00 0.00 N ATOM 2370 CA ALA B 51 3.144 -10.568 -2.305 1.00 0.00 C ATOM 2371 C ALA B 51 3.309 -10.381 -0.804 1.00 0.00 C ATOM 2372 O ALA B 51 2.500 -9.729 -0.150 1.00 0.00 O ATOM 2373 CB ALA B 51 1.667 -10.769 -2.646 1.00 0.00 C ATOM 0 H ALA B 51 3.716 -12.593 -2.244 1.00 0.00 H new ATOM 0 HA ALA B 51 3.512 -9.677 -2.814 1.00 0.00 H new ATOM 0 HB1 ALA B 51 1.095 -9.903 -2.312 1.00 0.00 H new ATOM 0 HB2 ALA B 51 1.555 -10.884 -3.724 1.00 0.00 H new ATOM 0 HB3 ALA B 51 1.296 -11.663 -2.145 1.00 0.00 H new ATOM 2379 N CYS B 52 4.338 -11.039 -0.242 1.00 0.00 N ATOM 2380 CA CYS B 52 4.544 -10.925 1.219 1.00 0.00 C ATOM 2381 C CYS B 52 6.011 -11.152 1.555 1.00 0.00 C ATOM 2382 O CYS B 52 6.794 -11.404 0.641 1.00 0.00 O ATOM 2383 CB CYS B 52 3.633 -11.896 1.945 1.00 0.00 C ATOM 2384 SG CYS B 52 4.227 -13.591 2.143 1.00 0.00 S ATOM 0 H CYS B 52 5.008 -11.625 -0.740 1.00 0.00 H new ATOM 0 HA CYS B 52 4.284 -9.920 1.553 1.00 0.00 H new ATOM 0 HB2 CYS B 52 3.429 -11.491 2.936 1.00 0.00 H new ATOM 0 HB3 CYS B 52 2.683 -11.931 1.413 1.00 0.00 H new ATOM 2389 N SER B 53 6.404 -10.901 2.816 1.00 0.00 N ATOM 2390 CA SER B 53 7.832 -11.153 3.140 1.00 0.00 C ATOM 2391 C SER B 53 7.959 -12.198 4.232 1.00 0.00 C ATOM 2392 O SER B 53 9.051 -12.383 4.788 1.00 0.00 O ATOM 2393 CB SER B 53 8.504 -9.848 3.547 1.00 0.00 C ATOM 2394 OG SER B 53 7.896 -9.261 4.677 1.00 0.00 O ATOM 0 H SER B 53 5.817 -10.554 3.575 1.00 0.00 H new ATOM 0 HA SER B 53 8.334 -11.542 2.254 1.00 0.00 H new ATOM 0 HB2 SER B 53 9.557 -10.035 3.760 1.00 0.00 H new ATOM 0 HB3 SER B 53 8.467 -9.148 2.713 1.00 0.00 H new ATOM 0 HG SER B 53 8.252 -8.357 4.807 1.00 0.00 H new ATOM 2400 N THR B 54 6.879 -12.899 4.553 1.00 0.00 N ATOM 2401 CA THR B 54 6.829 -13.790 5.682 1.00 0.00 C ATOM 2402 C THR B 54 7.598 -15.082 5.507 1.00 0.00 C ATOM 2403 O THR B 54 7.781 -15.810 6.493 1.00 0.00 O ATOM 2404 CB THR B 54 5.362 -14.167 6.063 1.00 0.00 C ATOM 2405 OG1 THR B 54 4.820 -14.995 5.016 1.00 0.00 O ATOM 2406 CG2 THR B 54 4.523 -12.897 6.161 1.00 0.00 C ATOM 0 H THR B 54 6.008 -12.857 4.024 1.00 0.00 H new ATOM 0 HA THR B 54 7.308 -13.215 6.475 1.00 0.00 H new ATOM 0 HB THR B 54 5.348 -14.693 7.018 1.00 0.00 H new ATOM 0 HG1 THR B 54 4.687 -14.456 4.209 1.00 0.00 H new ATOM 0 HG21 THR B 54 3.498 -13.157 6.427 1.00 0.00 H new ATOM 0 HG22 THR B 54 4.941 -12.243 6.926 1.00 0.00 H new ATOM 0 HG23 THR B 54 4.529 -12.382 5.200 1.00 0.00 H new ATOM 2414 N CYS B 55 7.984 -15.442 4.291 1.00 0.00 N ATOM 2415 CA CYS B 55 8.707 -16.664 4.039 1.00 0.00 C ATOM 2416 C CYS B 55 10.212 -16.405 3.920 1.00 0.00 C ATOM 2417 O CYS B 55 10.979 -17.285 3.551 1.00 0.00 O ATOM 2418 CB CYS B 55 8.223 -17.297 2.702 1.00 0.00 C ATOM 2419 SG CYS B 55 8.651 -16.285 1.288 1.00 0.00 S ATOM 0 H CYS B 55 7.800 -14.888 3.454 1.00 0.00 H new ATOM 0 HA CYS B 55 8.520 -17.335 4.877 1.00 0.00 H new ATOM 0 HB2 CYS B 55 8.666 -18.286 2.588 1.00 0.00 H new ATOM 0 HB3 CYS B 55 7.142 -17.434 2.736 1.00 0.00 H new ATOM 2424 N HIS B 56 10.621 -15.230 4.367 1.00 0.00 N ATOM 2425 CA HIS B 56 12.039 -14.861 4.392 1.00 0.00 C ATOM 2426 C HIS B 56 12.828 -15.849 5.260 1.00 0.00 C ATOM 2427 O HIS B 56 12.481 -16.103 6.404 1.00 0.00 O ATOM 2428 CB HIS B 56 12.152 -13.430 4.910 1.00 0.00 C ATOM 2429 CG HIS B 56 13.512 -12.917 5.234 1.00 0.00 C ATOM 2430 ND1 HIS B 56 13.702 -11.924 6.175 1.00 0.00 N ATOM 2431 CD2 HIS B 56 14.739 -13.210 4.759 1.00 0.00 C ATOM 2432 CE1 HIS B 56 14.995 -11.652 6.283 1.00 0.00 C ATOM 2433 NE2 HIS B 56 15.660 -12.411 5.435 1.00 0.00 N ATOM 0 H HIS B 56 9.994 -14.508 4.720 1.00 0.00 H new ATOM 0 HA HIS B 56 12.466 -14.908 3.390 1.00 0.00 H new ATOM 0 HB2 HIS B 56 11.712 -12.768 4.164 1.00 0.00 H new ATOM 0 HB3 HIS B 56 11.540 -13.349 5.808 1.00 0.00 H new ATOM 0 HD1 HIS B 56 12.960 -11.469 6.706 1.00 0.00 H new ATOM 0 HD2 HIS B 56 14.968 -13.935 3.992 1.00 0.00 H new ATOM 0 HE1 HIS B 56 15.432 -10.928 6.955 1.00 0.00 H new ATOM 2441 N LEU B 57 13.924 -16.361 4.706 1.00 0.00 N ATOM 2442 CA LEU B 57 14.831 -17.241 5.449 1.00 0.00 C ATOM 2443 C LEU B 57 16.273 -16.755 5.237 1.00 0.00 C ATOM 2444 O LEU B 57 16.584 -16.175 4.201 1.00 0.00 O ATOM 2445 CB LEU B 57 14.717 -18.688 5.011 1.00 0.00 C ATOM 2446 CG LEU B 57 13.401 -19.412 5.343 1.00 0.00 C ATOM 2447 CD1 LEU B 57 13.235 -20.654 4.494 1.00 0.00 C ATOM 2448 CD2 LEU B 57 13.326 -19.721 6.829 1.00 0.00 C ATOM 0 H LEU B 57 14.209 -16.183 3.743 1.00 0.00 H new ATOM 0 HA LEU B 57 14.555 -17.198 6.503 1.00 0.00 H new ATOM 0 HB2 LEU B 57 14.864 -18.729 3.932 1.00 0.00 H new ATOM 0 HB3 LEU B 57 15.536 -19.246 5.466 1.00 0.00 H new ATOM 0 HG LEU B 57 12.569 -18.751 5.103 1.00 0.00 H new ATOM 0 HD11 LEU B 57 12.297 -21.146 4.749 1.00 0.00 H new ATOM 0 HD12 LEU B 57 13.224 -20.376 3.440 1.00 0.00 H new ATOM 0 HD13 LEU B 57 14.065 -21.336 4.680 1.00 0.00 H new ATOM 0 HD21 LEU B 57 12.389 -20.233 7.047 1.00 0.00 H new ATOM 0 HD22 LEU B 57 14.163 -20.360 7.110 1.00 0.00 H new ATOM 0 HD23 LEU B 57 13.372 -18.792 7.397 1.00 0.00 H new ATOM 2460 N ILE B 58 17.112 -17.021 6.204 1.00 0.00 N ATOM 2461 CA ILE B 58 18.523 -16.669 6.179 1.00 0.00 C ATOM 2462 C ILE B 58 19.335 -17.979 6.054 1.00 0.00 C ATOM 2463 O ILE B 58 19.121 -18.902 6.851 1.00 0.00 O ATOM 2464 CB ILE B 58 18.917 -15.982 7.516 1.00 0.00 C ATOM 2465 CG1 ILE B 58 18.175 -14.648 7.641 1.00 0.00 C ATOM 2466 CG2 ILE B 58 20.431 -15.777 7.535 1.00 0.00 C ATOM 2467 CD1 ILE B 58 18.096 -14.151 9.082 1.00 0.00 C ATOM 0 H ILE B 58 16.832 -17.502 7.059 1.00 0.00 H new ATOM 0 HA ILE B 58 18.723 -15.993 5.347 1.00 0.00 H new ATOM 0 HB ILE B 58 18.637 -16.606 8.365 1.00 0.00 H new ATOM 0 HG12 ILE B 58 18.678 -13.899 7.030 1.00 0.00 H new ATOM 0 HG13 ILE B 58 17.166 -14.759 7.244 1.00 0.00 H new ATOM 0 HG21 ILE B 58 20.721 -15.295 8.469 1.00 0.00 H new ATOM 0 HG22 ILE B 58 20.930 -16.743 7.455 1.00 0.00 H new ATOM 0 HG23 ILE B 58 20.723 -15.147 6.695 1.00 0.00 H new ATOM 0 HD11 ILE B 58 17.560 -13.202 9.111 1.00 0.00 H new ATOM 0 HD12 ILE B 58 17.568 -14.885 9.692 1.00 0.00 H new ATOM 0 HD13 ILE B 58 19.103 -14.011 9.474 1.00 0.00 H new ATOM 2479 N PHE B 59 20.096 -18.081 4.980 1.00 0.00 N ATOM 2480 CA PHE B 59 20.764 -19.325 4.613 1.00 0.00 C ATOM 2481 C PHE B 59 22.230 -19.341 5.034 1.00 0.00 C ATOM 2482 O PHE B 59 22.830 -18.288 5.240 1.00 0.00 O ATOM 2483 CB PHE B 59 20.735 -19.403 3.034 1.00 0.00 C ATOM 2484 CG PHE B 59 19.322 -19.701 2.568 1.00 0.00 C ATOM 2485 CD1 PHE B 59 18.391 -18.690 2.451 1.00 0.00 C ATOM 2486 CD2 PHE B 59 18.931 -21.012 2.343 1.00 0.00 C ATOM 2487 CE1 PHE B 59 17.085 -18.968 2.101 1.00 0.00 C ATOM 2488 CE2 PHE B 59 17.620 -21.296 1.986 1.00 0.00 C ATOM 2489 CZ PHE B 59 16.707 -20.276 1.852 1.00 0.00 C ATOM 0 H PHE B 59 20.271 -17.309 4.337 1.00 0.00 H new ATOM 0 HA PHE B 59 20.257 -20.154 5.106 1.00 0.00 H new ATOM 0 HB2 PHE B 59 21.079 -18.461 2.606 1.00 0.00 H new ATOM 0 HB3 PHE B 59 21.416 -20.179 2.685 1.00 0.00 H new ATOM 0 HD1 PHE B 59 18.688 -17.668 2.636 1.00 0.00 H new ATOM 0 HD2 PHE B 59 19.648 -21.814 2.446 1.00 0.00 H new ATOM 0 HE1 PHE B 59 16.362 -18.169 2.022 1.00 0.00 H new ATOM 0 HE2 PHE B 59 17.317 -22.318 1.813 1.00 0.00 H new ATOM 0 HZ PHE B 59 15.693 -20.496 1.552 1.00 0.00 H new ATOM 2499 N GLU B 60 22.797 -20.550 5.126 1.00 0.00 N ATOM 2500 CA GLU B 60 24.262 -20.665 5.291 1.00 0.00 C ATOM 2501 C GLU B 60 24.938 -20.110 4.034 1.00 0.00 C ATOM 2502 O GLU B 60 24.442 -20.336 2.924 1.00 0.00 O ATOM 2503 CB GLU B 60 24.666 -22.117 5.477 1.00 0.00 C ATOM 2504 CG GLU B 60 24.126 -22.778 6.746 1.00 0.00 C ATOM 2505 CD GLU B 60 24.482 -24.259 6.783 1.00 0.00 C ATOM 2506 OE1 GLU B 60 25.705 -24.580 6.701 1.00 0.00 O ATOM 2507 OE2 GLU B 60 23.572 -25.085 6.898 1.00 0.00 O ATOM 0 H GLU B 60 22.292 -21.435 5.091 1.00 0.00 H new ATOM 0 HA GLU B 60 24.570 -20.103 6.173 1.00 0.00 H new ATOM 0 HB2 GLU B 60 24.324 -22.688 4.614 1.00 0.00 H new ATOM 0 HB3 GLU B 60 25.754 -22.178 5.488 1.00 0.00 H new ATOM 0 HG2 GLU B 60 24.537 -22.279 7.624 1.00 0.00 H new ATOM 0 HG3 GLU B 60 23.043 -22.659 6.790 1.00 0.00 H new ATOM 2514 N GLN B 61 26.103 -19.489 4.189 1.00 0.00 N ATOM 2515 CA GLN B 61 26.760 -18.866 3.030 1.00 0.00 C ATOM 2516 C GLN B 61 27.035 -19.837 1.898 1.00 0.00 C ATOM 2517 O GLN B 61 26.717 -19.521 0.727 1.00 0.00 O ATOM 2518 CB GLN B 61 28.034 -18.138 3.441 1.00 0.00 C ATOM 2519 CG GLN B 61 28.853 -17.619 2.264 1.00 0.00 C ATOM 2520 CD GLN B 61 28.169 -16.504 1.502 1.00 0.00 C ATOM 2521 OE1 GLN B 61 27.391 -15.720 2.050 1.00 0.00 O ATOM 2522 NE2 GLN B 61 28.463 -16.407 0.208 1.00 0.00 N ATOM 0 H GLN B 61 26.604 -19.401 5.073 1.00 0.00 H new ATOM 0 HA GLN B 61 26.049 -18.136 2.642 1.00 0.00 H new ATOM 0 HB2 GLN B 61 27.770 -17.300 4.086 1.00 0.00 H new ATOM 0 HB3 GLN B 61 28.652 -18.813 4.032 1.00 0.00 H new ATOM 0 HG2 GLN B 61 29.816 -17.262 2.630 1.00 0.00 H new ATOM 0 HG3 GLN B 61 29.058 -18.444 1.581 1.00 0.00 H new ATOM 0 HE21 GLN B 61 29.110 -17.070 -0.219 1.00 0.00 H new ATOM 0 HE22 GLN B 61 28.041 -15.670 -0.357 1.00 0.00 H new ATOM 2531 N HIS B 62 27.512 -21.029 2.180 1.00 0.00 N ATOM 2532 CA HIS B 62 27.886 -21.968 1.106 1.00 0.00 C ATOM 2533 C HIS B 62 26.673 -22.456 0.343 1.00 0.00 C ATOM 2534 O HIS B 62 26.750 -22.845 -0.833 1.00 0.00 O ATOM 2535 CB HIS B 62 28.721 -23.100 1.699 1.00 0.00 C ATOM 2536 CG HIS B 62 27.915 -24.089 2.481 1.00 0.00 C ATOM 2537 ND1 HIS B 62 27.384 -25.214 1.898 1.00 0.00 N ATOM 2538 CD2 HIS B 62 27.539 -24.122 3.776 1.00 0.00 C ATOM 2539 CE1 HIS B 62 26.725 -25.916 2.814 1.00 0.00 C ATOM 2540 NE2 HIS B 62 26.793 -25.249 3.966 1.00 0.00 N ATOM 0 H HIS B 62 27.655 -21.383 3.126 1.00 0.00 H new ATOM 0 HA HIS B 62 28.499 -21.452 0.367 1.00 0.00 H new ATOM 0 HB2 HIS B 62 29.238 -23.621 0.893 1.00 0.00 H new ATOM 0 HB3 HIS B 62 29.488 -22.675 2.347 1.00 0.00 H new ATOM 0 HD2 HIS B 62 27.785 -23.387 4.529 1.00 0.00 H new ATOM 0 HE1 HIS B 62 26.224 -26.859 2.654 1.00 0.00 H new ATOM 0 HE2 HIS B 62 26.359 -25.534 4.844 1.00 0.00 H new ATOM 2548 N ILE B 63 25.522 -22.503 1.010 1.00 0.00 N ATOM 2549 CA ILE B 63 24.251 -22.807 0.368 1.00 0.00 C ATOM 2550 C ILE B 63 23.776 -21.600 -0.434 1.00 0.00 C ATOM 2551 O ILE B 63 23.516 -21.705 -1.640 1.00 0.00 O ATOM 2552 CB ILE B 63 23.180 -23.187 1.407 1.00 0.00 C ATOM 2553 CG1 ILE B 63 23.512 -24.488 2.120 1.00 0.00 C ATOM 2554 CG2 ILE B 63 21.806 -23.285 0.744 1.00 0.00 C ATOM 2555 CD1 ILE B 63 23.680 -25.691 1.207 1.00 0.00 C ATOM 0 H ILE B 63 25.447 -22.331 2.013 1.00 0.00 H new ATOM 0 HA ILE B 63 24.402 -23.657 -0.297 1.00 0.00 H new ATOM 0 HB ILE B 63 23.162 -22.397 2.158 1.00 0.00 H new ATOM 0 HG12 ILE B 63 24.432 -24.350 2.688 1.00 0.00 H new ATOM 0 HG13 ILE B 63 22.722 -24.703 2.840 1.00 0.00 H new ATOM 0 HG21 ILE B 63 21.060 -23.554 1.491 1.00 0.00 H new ATOM 0 HG22 ILE B 63 21.546 -22.323 0.302 1.00 0.00 H new ATOM 0 HG23 ILE B 63 21.831 -24.047 -0.035 1.00 0.00 H new ATOM 0 HD11 ILE B 63 23.915 -26.572 1.805 1.00 0.00 H new ATOM 0 HD12 ILE B 63 22.755 -25.862 0.657 1.00 0.00 H new ATOM 0 HD13 ILE B 63 24.491 -25.503 0.503 1.00 0.00 H new ATOM 2567 N PHE B 64 23.738 -20.427 0.199 1.00 0.00 N ATOM 2568 CA PHE B 64 23.288 -19.203 -0.435 1.00 0.00 C ATOM 2569 C PHE B 64 23.938 -18.935 -1.779 1.00 0.00 C ATOM 2570 O PHE B 64 23.294 -18.403 -2.699 1.00 0.00 O ATOM 2571 CB PHE B 64 23.490 -17.995 0.484 1.00 0.00 C ATOM 2572 CG PHE B 64 23.051 -16.677 -0.056 1.00 0.00 C ATOM 2573 CD1 PHE B 64 21.712 -16.311 -0.062 1.00 0.00 C ATOM 2574 CD2 PHE B 64 23.983 -15.772 -0.569 1.00 0.00 C ATOM 2575 CE1 PHE B 64 21.308 -15.086 -0.557 1.00 0.00 C ATOM 2576 CE2 PHE B 64 23.578 -14.563 -1.106 1.00 0.00 C ATOM 2577 CZ PHE B 64 22.245 -14.213 -1.083 1.00 0.00 C ATOM 0 H PHE B 64 24.022 -20.306 1.171 1.00 0.00 H new ATOM 0 HA PHE B 64 22.224 -19.351 -0.620 1.00 0.00 H new ATOM 0 HB2 PHE B 64 22.954 -18.179 1.415 1.00 0.00 H new ATOM 0 HB3 PHE B 64 24.549 -17.928 0.734 1.00 0.00 H new ATOM 0 HD1 PHE B 64 20.973 -16.996 0.327 1.00 0.00 H new ATOM 0 HD2 PHE B 64 25.034 -16.019 -0.546 1.00 0.00 H new ATOM 0 HE1 PHE B 64 20.264 -14.810 -0.534 1.00 0.00 H new ATOM 0 HE2 PHE B 64 24.305 -13.894 -1.543 1.00 0.00 H new ATOM 0 HZ PHE B 64 21.931 -13.257 -1.476 1.00 0.00 H new ATOM 2587 N GLU B 65 25.253 -19.113 -1.873 1.00 0.00 N ATOM 2588 CA GLU B 65 25.984 -18.743 -3.069 1.00 0.00 C ATOM 2589 C GLU B 65 25.689 -19.617 -4.264 1.00 0.00 C ATOM 2590 O GLU B 65 26.052 -19.242 -5.386 1.00 0.00 O ATOM 2591 CB GLU B 65 27.477 -18.623 -2.811 1.00 0.00 C ATOM 2592 CG GLU B 65 28.173 -19.879 -2.339 1.00 0.00 C ATOM 2593 CD GLU B 65 29.583 -19.612 -1.839 1.00 0.00 C ATOM 2594 OE1 GLU B 65 29.920 -18.439 -1.593 1.00 0.00 O ATOM 2595 OE2 GLU B 65 30.349 -20.596 -1.688 1.00 0.00 O ATOM 0 H GLU B 65 25.829 -19.512 -1.132 1.00 0.00 H new ATOM 0 HA GLU B 65 25.613 -17.753 -3.335 1.00 0.00 H new ATOM 0 HB2 GLU B 65 27.958 -18.289 -3.730 1.00 0.00 H new ATOM 0 HB3 GLU B 65 27.635 -17.843 -2.066 1.00 0.00 H new ATOM 0 HG2 GLU B 65 27.589 -20.336 -1.540 1.00 0.00 H new ATOM 0 HG3 GLU B 65 28.212 -20.598 -3.157 1.00 0.00 H new ATOM 2602 N LYS B 66 25.008 -20.747 -4.089 1.00 0.00 N ATOM 2603 CA LYS B 66 24.705 -21.627 -5.223 1.00 0.00 C ATOM 2604 C LYS B 66 23.210 -21.709 -5.491 1.00 0.00 C ATOM 2605 O LYS B 66 22.733 -22.613 -6.190 1.00 0.00 O ATOM 2606 CB LYS B 66 25.281 -23.022 -4.987 1.00 0.00 C ATOM 2607 CG LYS B 66 26.758 -23.027 -4.621 1.00 0.00 C ATOM 2608 CD LYS B 66 27.625 -22.555 -5.776 1.00 0.00 C ATOM 2609 CE LYS B 66 28.691 -23.599 -6.112 1.00 0.00 C ATOM 2610 NZ LYS B 66 28.064 -24.949 -6.309 1.00 0.00 N ATOM 0 H LYS B 66 24.658 -21.075 -3.188 1.00 0.00 H new ATOM 0 HA LYS B 66 25.175 -21.195 -6.107 1.00 0.00 H new ATOM 0 HB2 LYS B 66 24.718 -23.506 -4.189 1.00 0.00 H new ATOM 0 HB3 LYS B 66 25.138 -23.620 -5.887 1.00 0.00 H new ATOM 0 HG2 LYS B 66 26.921 -22.383 -3.757 1.00 0.00 H new ATOM 0 HG3 LYS B 66 27.057 -24.034 -4.329 1.00 0.00 H new ATOM 0 HD2 LYS B 66 27.003 -22.368 -6.651 1.00 0.00 H new ATOM 0 HD3 LYS B 66 28.103 -21.610 -5.517 1.00 0.00 H new ATOM 0 HE2 LYS B 66 29.224 -23.304 -7.016 1.00 0.00 H new ATOM 0 HE3 LYS B 66 29.427 -23.647 -5.309 1.00 0.00 H new ATOM 0 HZ1 LYS B 66 28.567 -25.459 -7.063 1.00 0.00 H new ATOM 0 HZ2 LYS B 66 28.124 -25.492 -5.424 1.00 0.00 H new ATOM 0 HZ3 LYS B 66 27.066 -24.832 -6.577 1.00 0.00 H new ATOM 2624 N LEU B 67 22.456 -20.802 -4.878 1.00 0.00 N ATOM 2625 CA LEU B 67 21.006 -20.769 -5.112 1.00 0.00 C ATOM 2626 C LEU B 67 20.723 -20.199 -6.497 1.00 0.00 C ATOM 2627 O LEU B 67 21.571 -19.508 -7.080 1.00 0.00 O ATOM 2628 CB LEU B 67 20.326 -19.917 -4.028 1.00 0.00 C ATOM 2629 CG LEU B 67 20.440 -20.490 -2.596 1.00 0.00 C ATOM 2630 CD1 LEU B 67 19.769 -19.555 -1.604 1.00 0.00 C ATOM 2631 CD2 LEU B 67 19.788 -21.871 -2.534 1.00 0.00 C ATOM 0 H LEU B 67 22.807 -20.095 -4.231 1.00 0.00 H new ATOM 0 HA LEU B 67 20.605 -21.781 -5.063 1.00 0.00 H new ATOM 0 HB2 LEU B 67 20.763 -18.918 -4.042 1.00 0.00 H new ATOM 0 HB3 LEU B 67 19.271 -19.807 -4.279 1.00 0.00 H new ATOM 0 HG LEU B 67 21.494 -20.582 -2.336 1.00 0.00 H new ATOM 0 HD11 LEU B 67 19.855 -19.968 -0.599 1.00 0.00 H new ATOM 0 HD12 LEU B 67 20.254 -18.579 -1.638 1.00 0.00 H new ATOM 0 HD13 LEU B 67 18.716 -19.446 -1.862 1.00 0.00 H new ATOM 0 HD21 LEU B 67 19.872 -22.268 -1.522 1.00 0.00 H new ATOM 0 HD22 LEU B 67 18.735 -21.789 -2.805 1.00 0.00 H new ATOM 0 HD23 LEU B 67 20.291 -22.542 -3.230 1.00 0.00 H new ATOM 2643 N GLU B 68 19.559 -20.511 -7.037 1.00 0.00 N ATOM 2644 CA GLU B 68 19.160 -19.986 -8.349 1.00 0.00 C ATOM 2645 C GLU B 68 19.160 -18.463 -8.330 1.00 0.00 C ATOM 2646 O GLU B 68 18.771 -17.843 -7.328 1.00 0.00 O ATOM 2647 CB GLU B 68 17.705 -20.476 -8.605 1.00 0.00 C ATOM 2648 CG GLU B 68 16.835 -20.095 -7.396 1.00 0.00 C ATOM 2649 CD GLU B 68 16.539 -21.275 -6.502 1.00 0.00 C ATOM 2650 OE1 GLU B 68 17.419 -21.769 -5.768 1.00 0.00 O ATOM 2651 OE2 GLU B 68 15.344 -21.687 -6.537 1.00 0.00 O ATOM 0 H GLU B 68 18.870 -21.121 -6.597 1.00 0.00 H new ATOM 0 HA GLU B 68 19.850 -20.327 -9.121 1.00 0.00 H new ATOM 0 HB2 GLU B 68 17.308 -20.023 -9.513 1.00 0.00 H new ATOM 0 HB3 GLU B 68 17.691 -21.556 -8.755 1.00 0.00 H new ATOM 0 HG2 GLU B 68 17.341 -19.323 -6.817 1.00 0.00 H new ATOM 0 HG3 GLU B 68 15.897 -19.666 -7.748 1.00 0.00 H new ATOM 2658 N ALA B 69 19.588 -17.851 -9.420 1.00 0.00 N ATOM 2659 CA ALA B 69 19.663 -16.402 -9.530 1.00 0.00 C ATOM 2660 C ALA B 69 18.356 -15.758 -9.067 1.00 0.00 C ATOM 2661 O ALA B 69 17.284 -16.143 -9.548 1.00 0.00 O ATOM 2662 CB ALA B 69 19.921 -16.003 -10.988 1.00 0.00 C ATOM 0 H ALA B 69 19.895 -18.345 -10.258 1.00 0.00 H new ATOM 0 HA ALA B 69 20.479 -16.054 -8.897 1.00 0.00 H new ATOM 0 HB1 ALA B 69 19.976 -14.917 -11.064 1.00 0.00 H new ATOM 0 HB2 ALA B 69 20.862 -16.438 -11.323 1.00 0.00 H new ATOM 0 HB3 ALA B 69 19.108 -16.370 -11.615 1.00 0.00 H new ATOM 2668 N ILE B 70 18.459 -14.698 -8.275 1.00 0.00 N ATOM 2669 CA ILE B 70 17.249 -14.048 -7.766 1.00 0.00 C ATOM 2670 C ILE B 70 16.560 -13.260 -8.882 1.00 0.00 C ATOM 2671 O ILE B 70 17.228 -12.565 -9.649 1.00 0.00 O ATOM 2672 CB ILE B 70 17.536 -13.138 -6.574 1.00 0.00 C ATOM 2673 CG1 ILE B 70 16.232 -12.557 -6.004 1.00 0.00 C ATOM 2674 CG2 ILE B 70 18.494 -12.016 -6.928 1.00 0.00 C ATOM 2675 CD1 ILE B 70 16.363 -12.141 -4.541 1.00 0.00 C ATOM 0 H ILE B 70 19.338 -14.277 -7.976 1.00 0.00 H new ATOM 0 HA ILE B 70 16.583 -14.837 -7.416 1.00 0.00 H new ATOM 0 HB ILE B 70 18.015 -13.755 -5.813 1.00 0.00 H new ATOM 0 HG12 ILE B 70 15.934 -11.693 -6.598 1.00 0.00 H new ATOM 0 HG13 ILE B 70 15.438 -13.298 -6.097 1.00 0.00 H new ATOM 0 HG21 ILE B 70 18.668 -11.395 -6.049 1.00 0.00 H new ATOM 0 HG22 ILE B 70 19.440 -12.439 -7.267 1.00 0.00 H new ATOM 0 HG23 ILE B 70 18.063 -11.407 -7.723 1.00 0.00 H new ATOM 0 HD11 ILE B 70 15.413 -11.738 -4.191 1.00 0.00 H new ATOM 0 HD12 ILE B 70 16.633 -13.008 -3.939 1.00 0.00 H new ATOM 0 HD13 ILE B 70 17.137 -11.379 -4.447 1.00 0.00 H new ATOM 2687 N THR B 71 15.243 -13.349 -8.936 1.00 0.00 N ATOM 2688 CA THR B 71 14.484 -12.578 -9.934 1.00 0.00 C ATOM 2689 C THR B 71 14.154 -11.195 -9.371 1.00 0.00 C ATOM 2690 O THR B 71 14.082 -10.998 -8.160 1.00 0.00 O ATOM 2691 CB THR B 71 13.169 -13.264 -10.312 1.00 0.00 C ATOM 2692 OG1 THR B 71 12.356 -13.384 -9.124 1.00 0.00 O ATOM 2693 CG2 THR B 71 13.380 -14.625 -10.924 1.00 0.00 C ATOM 0 H THR B 71 14.676 -13.931 -8.319 1.00 0.00 H new ATOM 0 HA THR B 71 15.107 -12.503 -10.825 1.00 0.00 H new ATOM 0 HB THR B 71 12.673 -12.653 -11.066 1.00 0.00 H new ATOM 0 HG1 THR B 71 11.508 -13.821 -9.350 1.00 0.00 H new ATOM 0 HG21 THR B 71 12.415 -15.066 -11.173 1.00 0.00 H new ATOM 0 HG22 THR B 71 13.979 -14.528 -11.830 1.00 0.00 H new ATOM 0 HG23 THR B 71 13.900 -15.267 -10.213 1.00 0.00 H new ATOM 2701 N ASP B 72 13.818 -10.274 -10.280 1.00 0.00 N ATOM 2702 CA ASP B 72 13.459 -8.917 -9.855 1.00 0.00 C ATOM 2703 C ASP B 72 12.211 -8.952 -8.981 1.00 0.00 C ATOM 2704 O ASP B 72 12.064 -8.132 -8.060 1.00 0.00 O ATOM 2705 CB ASP B 72 13.218 -8.043 -11.092 1.00 0.00 C ATOM 2706 CG ASP B 72 14.500 -7.515 -11.707 1.00 0.00 C ATOM 2707 OD1 ASP B 72 15.587 -7.665 -11.109 1.00 0.00 O ATOM 2708 OD2 ASP B 72 14.412 -6.907 -12.801 1.00 0.00 O ATOM 0 H ASP B 72 13.787 -10.435 -11.287 1.00 0.00 H new ATOM 0 HA ASP B 72 14.276 -8.494 -9.271 1.00 0.00 H new ATOM 0 HB2 ASP B 72 12.676 -8.623 -11.839 1.00 0.00 H new ATOM 0 HB3 ASP B 72 12.581 -7.202 -10.817 1.00 0.00 H new ATOM 2713 N GLU B 73 11.273 -9.839 -9.304 1.00 0.00 N ATOM 2714 CA GLU B 73 10.037 -9.919 -8.539 1.00 0.00 C ATOM 2715 C GLU B 73 10.320 -10.295 -7.090 1.00 0.00 C ATOM 2716 O GLU B 73 9.831 -9.641 -6.157 1.00 0.00 O ATOM 2717 CB GLU B 73 9.027 -10.887 -9.159 1.00 0.00 C ATOM 2718 CG GLU B 73 7.658 -10.796 -8.514 1.00 0.00 C ATOM 2719 CD GLU B 73 6.552 -11.535 -9.208 1.00 0.00 C ATOM 2720 OE1 GLU B 73 6.810 -12.473 -9.997 1.00 0.00 O ATOM 2721 OE2 GLU B 73 5.367 -11.191 -8.942 1.00 0.00 O ATOM 0 H GLU B 73 11.344 -10.501 -10.077 1.00 0.00 H new ATOM 0 HA GLU B 73 9.586 -8.927 -8.564 1.00 0.00 H new ATOM 0 HB2 GLU B 73 8.937 -10.678 -10.225 1.00 0.00 H new ATOM 0 HB3 GLU B 73 9.402 -11.906 -9.065 1.00 0.00 H new ATOM 0 HG2 GLU B 73 7.734 -11.171 -7.493 1.00 0.00 H new ATOM 0 HG3 GLU B 73 7.379 -9.744 -8.447 1.00 0.00 H new ATOM 2728 N GLU B 74 11.182 -11.307 -6.903 1.00 0.00 N ATOM 2729 CA GLU B 74 11.534 -11.695 -5.533 1.00 0.00 C ATOM 2730 C GLU B 74 12.236 -10.554 -4.816 1.00 0.00 C ATOM 2731 O GLU B 74 11.869 -10.189 -3.703 1.00 0.00 O ATOM 2732 CB GLU B 74 12.404 -12.952 -5.510 1.00 0.00 C ATOM 2733 CG GLU B 74 12.773 -13.358 -4.086 1.00 0.00 C ATOM 2734 CD GLU B 74 13.678 -14.551 -3.991 1.00 0.00 C ATOM 2735 OE1 GLU B 74 13.833 -15.324 -4.952 1.00 0.00 O ATOM 2736 OE2 GLU B 74 14.279 -14.751 -2.902 1.00 0.00 O ATOM 0 H GLU B 74 11.628 -11.847 -7.644 1.00 0.00 H new ATOM 0 HA GLU B 74 10.606 -11.922 -5.008 1.00 0.00 H new ATOM 0 HB2 GLU B 74 11.873 -13.771 -5.996 1.00 0.00 H new ATOM 0 HB3 GLU B 74 13.313 -12.776 -6.085 1.00 0.00 H new ATOM 0 HG2 GLU B 74 13.255 -12.513 -3.595 1.00 0.00 H new ATOM 0 HG3 GLU B 74 11.857 -13.568 -3.533 1.00 0.00 H new ATOM 2743 N ASN B 75 13.197 -9.922 -5.479 1.00 0.00 N ATOM 2744 CA ASN B 75 13.950 -8.825 -4.917 1.00 0.00 C ATOM 2745 C ASN B 75 13.102 -7.678 -4.425 1.00 0.00 C ATOM 2746 O ASN B 75 13.379 -7.113 -3.351 1.00 0.00 O ATOM 2747 CB ASN B 75 15.003 -8.340 -5.922 1.00 0.00 C ATOM 2748 CG ASN B 75 16.179 -7.668 -5.255 1.00 0.00 C ATOM 2749 OD1 ASN B 75 16.779 -8.205 -4.322 1.00 0.00 O ATOM 2750 ND2 ASN B 75 16.521 -6.472 -5.733 1.00 0.00 N ATOM 0 H ASN B 75 13.472 -10.165 -6.431 1.00 0.00 H new ATOM 0 HA ASN B 75 14.442 -9.218 -4.027 1.00 0.00 H new ATOM 0 HB2 ASN B 75 15.358 -9.188 -6.507 1.00 0.00 H new ATOM 0 HB3 ASN B 75 14.539 -7.643 -6.620 1.00 0.00 H new ATOM 0 HD21 ASN B 75 17.307 -5.965 -5.325 1.00 0.00 H new ATOM 0 HD22 ASN B 75 15.997 -6.063 -6.507 1.00 0.00 H new ATOM 2757 N ASP B 76 12.035 -7.324 -5.138 1.00 0.00 N ATOM 2758 CA ASP B 76 11.167 -6.225 -4.747 1.00 0.00 C ATOM 2759 C ASP B 76 10.444 -6.534 -3.434 1.00 0.00 C ATOM 2760 O ASP B 76 10.198 -5.649 -2.624 1.00 0.00 O ATOM 2761 CB ASP B 76 10.099 -5.956 -5.816 1.00 0.00 C ATOM 2762 CG ASP B 76 10.612 -5.288 -7.058 1.00 0.00 C ATOM 2763 OD1 ASP B 76 11.741 -4.747 -7.055 1.00 0.00 O ATOM 2764 OD2 ASP B 76 9.879 -5.311 -8.081 1.00 0.00 O ATOM 0 H ASP B 76 11.752 -7.791 -5.999 1.00 0.00 H new ATOM 0 HA ASP B 76 11.806 -5.350 -4.627 1.00 0.00 H new ATOM 0 HB2 ASP B 76 9.635 -6.903 -6.094 1.00 0.00 H new ATOM 0 HB3 ASP B 76 9.317 -5.333 -5.381 1.00 0.00 H new ATOM 2769 N MET B 77 10.040 -7.795 -3.287 1.00 0.00 N ATOM 2770 CA MET B 77 9.349 -8.230 -2.068 1.00 0.00 C ATOM 2771 C MET B 77 10.365 -8.391 -0.937 1.00 0.00 C ATOM 2772 O MET B 77 10.155 -7.971 0.179 1.00 0.00 O ATOM 2773 CB MET B 77 8.647 -9.554 -2.320 1.00 0.00 C ATOM 2774 CG MET B 77 7.307 -9.770 -1.750 1.00 0.00 C ATOM 2775 SD MET B 77 6.249 -8.349 -1.555 1.00 0.00 S ATOM 2776 CE MET B 77 6.696 -7.766 0.057 1.00 0.00 C ATOM 0 H MET B 77 10.175 -8.527 -3.985 1.00 0.00 H new ATOM 0 HA MET B 77 8.608 -7.482 -1.785 1.00 0.00 H new ATOM 0 HB2 MET B 77 8.571 -9.686 -3.399 1.00 0.00 H new ATOM 0 HB3 MET B 77 9.295 -10.347 -1.947 1.00 0.00 H new ATOM 0 HG2 MET B 77 6.787 -10.491 -2.381 1.00 0.00 H new ATOM 0 HG3 MET B 77 7.430 -10.233 -0.771 1.00 0.00 H new ATOM 0 HE1 MET B 77 5.796 -7.629 0.657 1.00 0.00 H new ATOM 0 HE2 MET B 77 7.347 -8.495 0.540 1.00 0.00 H new ATOM 0 HE3 MET B 77 7.221 -6.815 -0.033 1.00 0.00 H new ATOM 2786 N LEU B 78 11.527 -8.946 -1.310 1.00 0.00 N ATOM 2787 CA LEU B 78 12.580 -9.194 -0.314 1.00 0.00 C ATOM 2788 C LEU B 78 13.087 -7.906 0.293 1.00 0.00 C ATOM 2789 O LEU B 78 13.309 -7.816 1.511 1.00 0.00 O ATOM 2790 CB LEU B 78 13.707 -10.007 -0.936 1.00 0.00 C ATOM 2791 CG LEU B 78 14.841 -10.442 0.004 1.00 0.00 C ATOM 2792 CD1 LEU B 78 14.301 -11.461 1.004 1.00 0.00 C ATOM 2793 CD2 LEU B 78 15.988 -11.029 -0.809 1.00 0.00 C ATOM 0 H LEU B 78 11.758 -9.225 -2.264 1.00 0.00 H new ATOM 0 HA LEU B 78 12.151 -9.775 0.502 1.00 0.00 H new ATOM 0 HB2 LEU B 78 13.274 -10.901 -1.385 1.00 0.00 H new ATOM 0 HB3 LEU B 78 14.142 -9.422 -1.747 1.00 0.00 H new ATOM 0 HG LEU B 78 15.221 -9.580 0.553 1.00 0.00 H new ATOM 0 HD11 LEU B 78 15.102 -11.773 1.674 1.00 0.00 H new ATOM 0 HD12 LEU B 78 13.497 -11.009 1.585 1.00 0.00 H new ATOM 0 HD13 LEU B 78 13.917 -12.329 0.468 1.00 0.00 H new ATOM 0 HD21 LEU B 78 16.790 -11.336 -0.138 1.00 0.00 H new ATOM 0 HD22 LEU B 78 15.632 -11.894 -1.369 1.00 0.00 H new ATOM 0 HD23 LEU B 78 16.364 -10.277 -1.503 1.00 0.00 H new ATOM 2805 N ASP B 79 13.129 -6.844 -0.505 1.00 0.00 N ATOM 2806 CA ASP B 79 13.532 -5.521 -0.080 1.00 0.00 C ATOM 2807 C ASP B 79 12.776 -5.025 1.144 1.00 0.00 C ATOM 2808 O ASP B 79 13.300 -4.222 1.916 1.00 0.00 O ATOM 2809 CB ASP B 79 13.344 -4.525 -1.233 1.00 0.00 C ATOM 2810 CG ASP B 79 14.430 -4.575 -2.278 1.00 0.00 C ATOM 2811 OD1 ASP B 79 15.408 -5.340 -2.127 1.00 0.00 O ATOM 2812 OD2 ASP B 79 14.305 -3.834 -3.289 1.00 0.00 O ATOM 0 H ASP B 79 12.875 -6.888 -1.492 1.00 0.00 H new ATOM 0 HA ASP B 79 14.583 -5.592 0.201 1.00 0.00 H new ATOM 0 HB2 ASP B 79 12.385 -4.719 -1.713 1.00 0.00 H new ATOM 0 HB3 ASP B 79 13.297 -3.516 -0.823 1.00 0.00 H new ATOM 2817 N CYS B 80 11.516 -5.444 1.297 1.00 0.00 N ATOM 2818 CA CYS B 80 10.671 -5.033 2.379 1.00 0.00 C ATOM 2819 C CYS B 80 10.737 -5.920 3.616 1.00 0.00 C ATOM 2820 O CYS B 80 10.076 -5.611 4.617 1.00 0.00 O ATOM 2821 CB CYS B 80 9.254 -4.938 1.782 1.00 0.00 C ATOM 2822 SG CYS B 80 8.089 -6.047 2.616 1.00 0.00 S ATOM 0 H CYS B 80 11.064 -6.090 0.650 1.00 0.00 H new ATOM 0 HA CYS B 80 11.011 -4.075 2.771 1.00 0.00 H new ATOM 0 HB2 CYS B 80 8.896 -3.911 1.860 1.00 0.00 H new ATOM 0 HB3 CYS B 80 9.291 -5.183 0.721 1.00 0.00 H new ATOM 2827 N ALA B 81 11.474 -7.019 3.582 1.00 0.00 N ATOM 2828 CA ALA B 81 11.509 -7.935 4.721 1.00 0.00 C ATOM 2829 C ALA B 81 12.194 -7.313 5.932 1.00 0.00 C ATOM 2830 O ALA B 81 13.125 -6.520 5.796 1.00 0.00 O ATOM 2831 CB ALA B 81 12.244 -9.219 4.347 1.00 0.00 C ATOM 0 H ALA B 81 12.051 -7.300 2.790 1.00 0.00 H new ATOM 0 HA ALA B 81 10.474 -8.155 4.983 1.00 0.00 H new ATOM 0 HB1 ALA B 81 12.262 -9.891 5.205 1.00 0.00 H new ATOM 0 HB2 ALA B 81 11.730 -9.704 3.517 1.00 0.00 H new ATOM 0 HB3 ALA B 81 13.266 -8.980 4.052 1.00 0.00 H new ATOM 2837 N TYR B 82 11.791 -7.750 7.111 1.00 0.00 N ATOM 2838 CA TYR B 82 12.460 -7.393 8.355 1.00 0.00 C ATOM 2839 C TYR B 82 13.712 -8.261 8.520 1.00 0.00 C ATOM 2840 O TYR B 82 13.676 -9.441 8.166 1.00 0.00 O ATOM 2841 CB TYR B 82 11.496 -7.693 9.536 1.00 0.00 C ATOM 2842 CG TYR B 82 12.160 -7.580 10.886 1.00 0.00 C ATOM 2843 CD1 TYR B 82 12.263 -6.348 11.527 1.00 0.00 C ATOM 2844 CD2 TYR B 82 12.718 -8.692 11.512 1.00 0.00 C ATOM 2845 CE1 TYR B 82 12.889 -6.236 12.756 1.00 0.00 C ATOM 2846 CE2 TYR B 82 13.347 -8.587 12.740 1.00 0.00 C ATOM 2847 CZ TYR B 82 13.414 -7.356 13.361 1.00 0.00 C ATOM 2848 OH TYR B 82 14.033 -7.237 14.588 1.00 0.00 O ATOM 0 H TYR B 82 10.987 -8.365 7.236 1.00 0.00 H new ATOM 0 HA TYR B 82 12.736 -6.339 8.340 1.00 0.00 H new ATOM 0 HB2 TYR B 82 10.653 -7.003 9.493 1.00 0.00 H new ATOM 0 HB3 TYR B 82 11.091 -8.698 9.420 1.00 0.00 H new ATOM 0 HD1 TYR B 82 11.849 -5.468 11.058 1.00 0.00 H new ATOM 0 HD2 TYR B 82 12.659 -9.656 11.029 1.00 0.00 H new ATOM 0 HE1 TYR B 82 12.966 -5.273 13.239 1.00 0.00 H new ATOM 0 HE2 TYR B 82 13.781 -9.459 13.207 1.00 0.00 H new ATOM 0 HH TYR B 82 14.349 -8.117 14.882 1.00 0.00 H new ATOM 2858 N GLY B 83 14.758 -7.733 9.120 1.00 0.00 N ATOM 2859 CA GLY B 83 15.941 -8.505 9.460 1.00 0.00 C ATOM 2860 C GLY B 83 16.684 -9.067 8.269 1.00 0.00 C ATOM 2861 O GLY B 83 17.261 -10.177 8.361 1.00 0.00 O ATOM 0 H GLY B 83 14.815 -6.751 9.388 1.00 0.00 H new ATOM 0 HA2 GLY B 83 16.621 -7.873 10.031 1.00 0.00 H new ATOM 0 HA3 GLY B 83 15.648 -9.328 10.111 1.00 0.00 H new ATOM 2865 N LEU B 84 16.761 -8.353 7.175 1.00 0.00 N ATOM 2866 CA LEU B 84 17.474 -8.725 5.983 1.00 0.00 C ATOM 2867 C LEU B 84 18.969 -8.918 6.244 1.00 0.00 C ATOM 2868 O LEU B 84 19.579 -8.191 7.038 1.00 0.00 O ATOM 2869 CB LEU B 84 17.325 -7.636 4.910 1.00 0.00 C ATOM 2870 CG LEU B 84 16.183 -7.735 3.928 1.00 0.00 C ATOM 2871 CD1 LEU B 84 16.217 -6.532 2.964 1.00 0.00 C ATOM 2872 CD2 LEU B 84 16.261 -9.024 3.105 1.00 0.00 C ATOM 0 H LEU B 84 16.302 -7.446 7.089 1.00 0.00 H new ATOM 0 HA LEU B 84 17.043 -9.668 5.646 1.00 0.00 H new ATOM 0 HB2 LEU B 84 17.238 -6.678 5.422 1.00 0.00 H new ATOM 0 HB3 LEU B 84 18.252 -7.608 4.337 1.00 0.00 H new ATOM 0 HG LEU B 84 15.255 -7.739 4.500 1.00 0.00 H new ATOM 0 HD11 LEU B 84 15.391 -6.609 2.257 1.00 0.00 H new ATOM 0 HD12 LEU B 84 16.123 -5.607 3.533 1.00 0.00 H new ATOM 0 HD13 LEU B 84 17.161 -6.529 2.419 1.00 0.00 H new ATOM 0 HD21 LEU B 84 15.423 -9.062 2.408 1.00 0.00 H new ATOM 0 HD22 LEU B 84 17.198 -9.044 2.548 1.00 0.00 H new ATOM 0 HD23 LEU B 84 16.218 -9.885 3.772 1.00 0.00 H new ATOM 2884 N THR B 85 19.543 -9.944 5.656 1.00 0.00 N ATOM 2885 CA THR B 85 20.969 -10.210 5.758 1.00 0.00 C ATOM 2886 C THR B 85 21.518 -10.371 4.324 1.00 0.00 C ATOM 2887 O THR B 85 20.739 -10.397 3.380 1.00 0.00 O ATOM 2888 CB THR B 85 21.273 -11.551 6.484 1.00 0.00 C ATOM 2889 OG1 THR B 85 20.801 -12.618 5.652 1.00 0.00 O ATOM 2890 CG2 THR B 85 20.596 -11.619 7.834 1.00 0.00 C ATOM 0 H THR B 85 19.035 -10.623 5.090 1.00 0.00 H new ATOM 0 HA THR B 85 21.419 -9.389 6.316 1.00 0.00 H new ATOM 0 HB THR B 85 22.347 -11.631 6.655 1.00 0.00 H new ATOM 0 HG1 THR B 85 19.903 -12.404 5.324 1.00 0.00 H new ATOM 0 HG21 THR B 85 20.831 -12.570 8.312 1.00 0.00 H new ATOM 0 HG22 THR B 85 20.951 -10.801 8.461 1.00 0.00 H new ATOM 0 HG23 THR B 85 19.517 -11.535 7.705 1.00 0.00 H new ATOM 2898 N ASP B 86 22.819 -10.573 4.226 1.00 0.00 N ATOM 2899 CA ASP B 86 23.462 -10.831 2.946 1.00 0.00 C ATOM 2900 C ASP B 86 23.199 -12.259 2.462 1.00 0.00 C ATOM 2901 O ASP B 86 23.611 -12.623 1.359 1.00 0.00 O ATOM 2902 CB ASP B 86 24.983 -10.639 3.077 1.00 0.00 C ATOM 2903 CG ASP B 86 25.384 -9.185 3.178 1.00 0.00 C ATOM 2904 OD1 ASP B 86 24.514 -8.303 3.004 1.00 0.00 O ATOM 2905 OD2 ASP B 86 26.587 -8.930 3.417 1.00 0.00 O ATOM 0 H ASP B 86 23.457 -10.564 5.022 1.00 0.00 H new ATOM 0 HA ASP B 86 23.045 -10.129 2.224 1.00 0.00 H new ATOM 0 HB2 ASP B 86 25.337 -11.171 3.960 1.00 0.00 H new ATOM 0 HB3 ASP B 86 25.477 -11.088 2.215 1.00 0.00 H new ATOM 2910 N ARG B 87 22.540 -13.062 3.282 1.00 0.00 N ATOM 2911 CA ARG B 87 22.238 -14.452 2.897 1.00 0.00 C ATOM 2912 C ARG B 87 20.737 -14.713 2.921 1.00 0.00 C ATOM 2913 O ARG B 87 20.310 -15.849 3.140 1.00 0.00 O ATOM 2914 CB ARG B 87 22.961 -15.406 3.861 1.00 0.00 C ATOM 2915 CG ARG B 87 24.487 -15.367 3.705 1.00 0.00 C ATOM 2916 CD ARG B 87 25.163 -15.885 4.983 1.00 0.00 C ATOM 2917 NE ARG B 87 24.939 -14.958 6.094 1.00 0.00 N ATOM 2918 CZ ARG B 87 24.286 -15.289 7.200 1.00 0.00 C ATOM 2919 NH1 ARG B 87 23.792 -16.508 7.352 1.00 0.00 N ATOM 2920 NH2 ARG B 87 24.119 -14.396 8.167 1.00 0.00 N ATOM 0 H ARG B 87 22.204 -12.791 4.206 1.00 0.00 H new ATOM 0 HA ARG B 87 22.587 -14.622 1.878 1.00 0.00 H new ATOM 0 HB2 ARG B 87 22.699 -15.146 4.887 1.00 0.00 H new ATOM 0 HB3 ARG B 87 22.609 -16.423 3.690 1.00 0.00 H new ATOM 0 HG2 ARG B 87 24.789 -15.976 2.853 1.00 0.00 H new ATOM 0 HG3 ARG B 87 24.813 -14.347 3.500 1.00 0.00 H new ATOM 0 HD2 ARG B 87 24.768 -16.869 5.237 1.00 0.00 H new ATOM 0 HD3 ARG B 87 26.233 -16.005 4.812 1.00 0.00 H new ATOM 0 HE ARG B 87 25.304 -14.009 6.013 1.00 0.00 H new ATOM 0 HH11 ARG B 87 23.912 -17.203 6.615 1.00 0.00 H new ATOM 0 HH12 ARG B 87 23.291 -16.753 8.206 1.00 0.00 H new ATOM 0 HH21 ARG B 87 24.493 -13.453 8.061 1.00 0.00 H new ATOM 0 HH22 ARG B 87 23.617 -14.652 9.017 1.00 0.00 H new ATOM 2934 N SER B 88 19.940 -13.689 2.643 1.00 0.00 N ATOM 2935 CA SER B 88 18.493 -13.766 2.726 1.00 0.00 C ATOM 2936 C SER B 88 17.827 -14.076 1.393 1.00 0.00 C ATOM 2937 O SER B 88 18.200 -13.492 0.360 1.00 0.00 O ATOM 2938 CB SER B 88 17.944 -12.399 3.217 1.00 0.00 C ATOM 2939 OG SER B 88 18.284 -12.174 4.584 1.00 0.00 O ATOM 0 H SER B 88 20.286 -12.775 2.351 1.00 0.00 H new ATOM 0 HA SER B 88 18.263 -14.580 3.414 1.00 0.00 H new ATOM 0 HB2 SER B 88 18.350 -11.597 2.601 1.00 0.00 H new ATOM 0 HB3 SER B 88 16.861 -12.374 3.099 1.00 0.00 H new ATOM 0 HG SER B 88 17.474 -11.955 5.091 1.00 0.00 H new ATOM 2945 N ARG B 89 16.809 -14.925 1.392 1.00 0.00 N ATOM 2946 CA ARG B 89 15.987 -15.188 0.222 1.00 0.00 C ATOM 2947 C ARG B 89 14.537 -15.418 0.695 1.00 0.00 C ATOM 2948 O ARG B 89 14.308 -15.710 1.875 1.00 0.00 O ATOM 2949 CB ARG B 89 16.402 -16.422 -0.579 1.00 0.00 C ATOM 2950 CG ARG B 89 17.710 -16.386 -1.316 1.00 0.00 C ATOM 2951 CD ARG B 89 17.776 -15.292 -2.360 1.00 0.00 C ATOM 2952 NE ARG B 89 16.882 -15.602 -3.495 1.00 0.00 N ATOM 2953 CZ ARG B 89 17.262 -16.375 -4.521 1.00 0.00 C ATOM 2954 NH1 ARG B 89 18.491 -16.855 -4.575 1.00 0.00 N ATOM 2955 NH2 ARG B 89 16.408 -16.599 -5.516 1.00 0.00 N ATOM 0 H ARG B 89 16.528 -15.457 2.216 1.00 0.00 H new ATOM 0 HA ARG B 89 16.102 -14.324 -0.432 1.00 0.00 H new ATOM 0 HB2 ARG B 89 16.430 -17.269 0.106 1.00 0.00 H new ATOM 0 HB3 ARG B 89 15.616 -16.626 -1.306 1.00 0.00 H new ATOM 0 HG2 ARG B 89 18.519 -16.245 -0.600 1.00 0.00 H new ATOM 0 HG3 ARG B 89 17.875 -17.350 -1.798 1.00 0.00 H new ATOM 0 HD2 ARG B 89 17.490 -14.339 -1.915 1.00 0.00 H new ATOM 0 HD3 ARG B 89 18.800 -15.183 -2.716 1.00 0.00 H new ATOM 0 HE ARG B 89 15.939 -15.212 -3.497 1.00 0.00 H new ATOM 0 HH11 ARG B 89 19.156 -16.638 -3.833 1.00 0.00 H new ATOM 0 HH12 ARG B 89 18.775 -17.443 -5.359 1.00 0.00 H new ATOM 0 HH21 ARG B 89 15.477 -16.184 -5.492 1.00 0.00 H new ATOM 0 HH22 ARG B 89 16.685 -17.186 -6.303 1.00 0.00 H new ATOM 2969 N LEU B 90 13.588 -15.299 -0.230 1.00 0.00 N ATOM 2970 CA LEU B 90 12.213 -15.691 0.099 1.00 0.00 C ATOM 2971 C LEU B 90 12.081 -17.196 -0.087 1.00 0.00 C ATOM 2972 O LEU B 90 12.269 -17.727 -1.196 1.00 0.00 O ATOM 2973 CB LEU B 90 11.195 -14.920 -0.716 1.00 0.00 C ATOM 2974 CG LEU B 90 11.225 -13.394 -0.578 1.00 0.00 C ATOM 2975 CD1 LEU B 90 10.147 -12.765 -1.457 1.00 0.00 C ATOM 2976 CD2 LEU B 90 11.032 -12.965 0.876 1.00 0.00 C ATOM 0 H LEU B 90 13.731 -14.949 -1.177 1.00 0.00 H new ATOM 0 HA LEU B 90 12.003 -15.441 1.139 1.00 0.00 H new ATOM 0 HB2 LEU B 90 11.338 -15.171 -1.767 1.00 0.00 H new ATOM 0 HB3 LEU B 90 10.200 -15.269 -0.438 1.00 0.00 H new ATOM 0 HG LEU B 90 12.204 -13.046 -0.906 1.00 0.00 H new ATOM 0 HD11 LEU B 90 10.178 -11.681 -1.351 1.00 0.00 H new ATOM 0 HD12 LEU B 90 10.325 -13.033 -2.499 1.00 0.00 H new ATOM 0 HD13 LEU B 90 9.168 -13.132 -1.150 1.00 0.00 H new ATOM 0 HD21 LEU B 90 11.058 -11.877 0.941 1.00 0.00 H new ATOM 0 HD22 LEU B 90 10.070 -13.327 1.237 1.00 0.00 H new ATOM 0 HD23 LEU B 90 11.830 -13.384 1.488 1.00 0.00 H new ATOM 2988 N GLY B 91 11.792 -17.909 1.000 1.00 0.00 N ATOM 2989 CA GLY B 91 11.768 -19.350 0.976 1.00 0.00 C ATOM 2990 C GLY B 91 10.847 -19.974 -0.021 1.00 0.00 C ATOM 2991 O GLY B 91 11.066 -21.134 -0.441 1.00 0.00 O ATOM 0 H GLY B 91 11.572 -17.499 1.908 1.00 0.00 H new ATOM 0 HA2 GLY B 91 12.779 -19.707 0.780 1.00 0.00 H new ATOM 0 HA3 GLY B 91 11.491 -19.705 1.969 1.00 0.00 H new ATOM 2995 N CYS B 92 9.707 -19.331 -0.365 1.00 0.00 N ATOM 2996 CA CYS B 92 8.784 -19.944 -1.310 1.00 0.00 C ATOM 2997 C CYS B 92 9.381 -20.049 -2.704 1.00 0.00 C ATOM 2998 O CYS B 92 8.837 -20.802 -3.536 1.00 0.00 O ATOM 2999 CB CYS B 92 7.439 -19.224 -1.363 1.00 0.00 C ATOM 3000 SG CYS B 92 7.506 -17.545 -1.963 1.00 0.00 S ATOM 0 H CYS B 92 9.422 -18.419 -0.009 1.00 0.00 H new ATOM 0 HA CYS B 92 8.606 -20.953 -0.939 1.00 0.00 H new ATOM 0 HB2 CYS B 92 6.763 -19.795 -2.000 1.00 0.00 H new ATOM 0 HB3 CYS B 92 7.007 -19.219 -0.362 1.00 0.00 H new ATOM 3005 N GLN B 93 10.490 -19.387 -2.965 1.00 0.00 N ATOM 3006 CA GLN B 93 11.165 -19.435 -4.239 1.00 0.00 C ATOM 3007 C GLN B 93 12.326 -20.425 -4.253 1.00 0.00 C ATOM 3008 O GLN B 93 12.962 -20.576 -5.294 1.00 0.00 O ATOM 3009 CB GLN B 93 11.684 -18.053 -4.648 1.00 0.00 C ATOM 3010 CG GLN B 93 10.612 -16.966 -4.705 1.00 0.00 C ATOM 3011 CD GLN B 93 9.534 -17.300 -5.731 1.00 0.00 C ATOM 3012 OE1 GLN B 93 9.820 -17.379 -6.926 1.00 0.00 O ATOM 3013 NE2 GLN B 93 8.330 -17.566 -5.257 1.00 0.00 N ATOM 0 H GLN B 93 10.954 -18.789 -2.281 1.00 0.00 H new ATOM 0 HA GLN B 93 10.418 -19.774 -4.957 1.00 0.00 H new ATOM 0 HB2 GLN B 93 12.458 -17.746 -3.944 1.00 0.00 H new ATOM 0 HB3 GLN B 93 12.157 -18.131 -5.627 1.00 0.00 H new ATOM 0 HG2 GLN B 93 10.157 -16.850 -3.721 1.00 0.00 H new ATOM 0 HG3 GLN B 93 11.073 -16.011 -4.957 1.00 0.00 H new ATOM 0 HE21 GLN B 93 8.146 -17.485 -4.257 1.00 0.00 H new ATOM 0 HE22 GLN B 93 7.584 -17.853 -5.891 1.00 0.00 H new ATOM 3022 N ILE B 94 12.687 -20.973 -3.096 1.00 0.00 N ATOM 3023 CA ILE B 94 13.878 -21.834 -3.031 1.00 0.00 C ATOM 3024 C ILE B 94 13.452 -23.292 -2.892 1.00 0.00 C ATOM 3025 O ILE B 94 12.752 -23.623 -1.947 1.00 0.00 O ATOM 3026 CB ILE B 94 14.771 -21.467 -1.835 1.00 0.00 C ATOM 3027 CG1 ILE B 94 15.207 -20.029 -1.837 1.00 0.00 C ATOM 3028 CG2 ILE B 94 15.978 -22.424 -1.770 1.00 0.00 C ATOM 3029 CD1 ILE B 94 15.722 -19.419 -3.082 1.00 0.00 C ATOM 0 H ILE B 94 12.194 -20.846 -2.212 1.00 0.00 H new ATOM 0 HA ILE B 94 14.444 -21.687 -3.951 1.00 0.00 H new ATOM 0 HB ILE B 94 14.170 -21.586 -0.934 1.00 0.00 H new ATOM 0 HG12 ILE B 94 14.357 -19.431 -1.509 1.00 0.00 H new ATOM 0 HG13 ILE B 94 15.982 -19.923 -1.078 1.00 0.00 H new ATOM 0 HG21 ILE B 94 16.607 -22.159 -0.920 1.00 0.00 H new ATOM 0 HG22 ILE B 94 15.624 -23.448 -1.654 1.00 0.00 H new ATOM 0 HG23 ILE B 94 16.557 -22.342 -2.690 1.00 0.00 H new ATOM 0 HD11 ILE B 94 15.987 -18.379 -2.895 1.00 0.00 H new ATOM 0 HD12 ILE B 94 16.605 -19.964 -3.416 1.00 0.00 H new ATOM 0 HD13 ILE B 94 14.954 -19.464 -3.854 1.00 0.00 H new ATOM 3041 N SER B 95 13.852 -24.119 -3.855 1.00 0.00 N ATOM 3042 CA SER B 95 13.493 -25.533 -3.827 1.00 0.00 C ATOM 3043 C SER B 95 14.687 -26.404 -3.431 1.00 0.00 C ATOM 3044 O SER B 95 15.833 -26.073 -3.723 1.00 0.00 O ATOM 3045 CB SER B 95 13.015 -25.973 -5.208 1.00 0.00 C ATOM 3046 OG SER B 95 12.643 -27.352 -5.167 1.00 0.00 O ATOM 0 H SER B 95 14.418 -23.838 -4.655 1.00 0.00 H new ATOM 0 HA SER B 95 12.701 -25.657 -3.088 1.00 0.00 H new ATOM 0 HB2 SER B 95 12.166 -25.366 -5.521 1.00 0.00 H new ATOM 0 HB3 SER B 95 13.805 -25.820 -5.944 1.00 0.00 H new ATOM 0 HG SER B 95 11.912 -27.512 -5.799 1.00 0.00 H new ATOM 3052 N LEU B 96 14.395 -27.488 -2.734 1.00 0.00 N ATOM 3053 CA LEU B 96 15.390 -28.350 -2.152 1.00 0.00 C ATOM 3054 C LEU B 96 16.290 -29.016 -3.168 1.00 0.00 C ATOM 3055 O LEU B 96 15.856 -29.472 -4.232 1.00 0.00 O ATOM 3056 CB LEU B 96 14.730 -29.397 -1.238 1.00 0.00 C ATOM 3057 CG LEU B 96 14.009 -28.839 -0.014 1.00 0.00 C ATOM 3058 CD1 LEU B 96 13.518 -29.932 0.907 1.00 0.00 C ATOM 3059 CD2 LEU B 96 14.913 -27.872 0.762 1.00 0.00 C ATOM 0 H LEU B 96 13.438 -27.794 -2.557 1.00 0.00 H new ATOM 0 HA LEU B 96 16.038 -27.706 -1.557 1.00 0.00 H new ATOM 0 HB2 LEU B 96 14.016 -29.971 -1.829 1.00 0.00 H new ATOM 0 HB3 LEU B 96 15.497 -30.094 -0.900 1.00 0.00 H new ATOM 0 HG LEU B 96 13.139 -28.297 -0.384 1.00 0.00 H new ATOM 0 HD11 LEU B 96 13.012 -29.486 1.763 1.00 0.00 H new ATOM 0 HD12 LEU B 96 12.822 -30.576 0.369 1.00 0.00 H new ATOM 0 HD13 LEU B 96 14.365 -30.523 1.254 1.00 0.00 H new ATOM 0 HD21 LEU B 96 14.376 -27.488 1.629 1.00 0.00 H new ATOM 0 HD22 LEU B 96 15.809 -28.398 1.093 1.00 0.00 H new ATOM 0 HD23 LEU B 96 15.198 -27.042 0.115 1.00 0.00 H new ATOM 3071 N THR B 97 17.591 -29.021 -2.878 1.00 0.00 N ATOM 3072 CA THR B 97 18.567 -29.704 -3.734 1.00 0.00 C ATOM 3073 C THR B 97 19.389 -30.657 -2.863 1.00 0.00 C ATOM 3074 O THR B 97 19.379 -30.542 -1.633 1.00 0.00 O ATOM 3075 CB THR B 97 19.493 -28.752 -4.473 1.00 0.00 C ATOM 3076 OG1 THR B 97 20.341 -28.055 -3.541 1.00 0.00 O ATOM 3077 CG2 THR B 97 18.775 -27.757 -5.349 1.00 0.00 C ATOM 0 H THR B 97 17.994 -28.563 -2.061 1.00 0.00 H new ATOM 0 HA THR B 97 18.013 -30.245 -4.501 1.00 0.00 H new ATOM 0 HB THR B 97 20.091 -29.375 -5.138 1.00 0.00 H new ATOM 0 HG1 THR B 97 20.934 -27.446 -4.030 1.00 0.00 H new ATOM 0 HG21 THR B 97 19.504 -27.114 -5.842 1.00 0.00 H new ATOM 0 HG22 THR B 97 18.193 -28.289 -6.102 1.00 0.00 H new ATOM 0 HG23 THR B 97 18.109 -27.148 -4.738 1.00 0.00 H new ATOM 3085 N LYS B 98 20.146 -31.547 -3.499 1.00 0.00 N ATOM 3086 CA LYS B 98 21.002 -32.482 -2.792 1.00 0.00 C ATOM 3087 C LYS B 98 21.914 -31.778 -1.796 1.00 0.00 C ATOM 3088 O LYS B 98 22.079 -32.223 -0.658 1.00 0.00 O ATOM 3089 CB LYS B 98 21.882 -33.268 -3.785 1.00 0.00 C ATOM 3090 CG LYS B 98 21.371 -34.653 -4.127 1.00 0.00 C ATOM 3091 CD LYS B 98 22.387 -35.413 -4.983 1.00 0.00 C ATOM 3092 CE LYS B 98 21.721 -36.546 -5.743 1.00 0.00 C ATOM 3093 NZ LYS B 98 21.892 -37.856 -5.048 1.00 0.00 N ATOM 0 H LYS B 98 20.180 -31.637 -4.514 1.00 0.00 H new ATOM 0 HA LYS B 98 20.343 -33.160 -2.250 1.00 0.00 H new ATOM 0 HB2 LYS B 98 21.971 -32.691 -4.706 1.00 0.00 H new ATOM 0 HB3 LYS B 98 22.885 -33.359 -3.367 1.00 0.00 H new ATOM 0 HG2 LYS B 98 21.173 -35.209 -3.210 1.00 0.00 H new ATOM 0 HG3 LYS B 98 20.425 -34.574 -4.662 1.00 0.00 H new ATOM 0 HD2 LYS B 98 22.860 -34.728 -5.686 1.00 0.00 H new ATOM 0 HD3 LYS B 98 23.177 -35.812 -4.347 1.00 0.00 H new ATOM 0 HE2 LYS B 98 20.658 -36.331 -5.858 1.00 0.00 H new ATOM 0 HE3 LYS B 98 22.144 -36.609 -6.746 1.00 0.00 H new ATOM 0 HZ1 LYS B 98 21.424 -38.604 -5.598 1.00 0.00 H new ATOM 0 HZ2 LYS B 98 22.905 -38.073 -4.961 1.00 0.00 H new ATOM 0 HZ3 LYS B 98 21.466 -37.804 -4.100 1.00 0.00 H new ATOM 3107 N ALA B 99 22.536 -30.681 -2.231 1.00 0.00 N ATOM 3108 CA ALA B 99 23.491 -29.961 -1.423 1.00 0.00 C ATOM 3109 C ALA B 99 22.918 -29.396 -0.144 1.00 0.00 C ATOM 3110 O ALA B 99 23.679 -29.095 0.784 1.00 0.00 O ATOM 3111 CB ALA B 99 24.199 -28.878 -2.231 1.00 0.00 C ATOM 0 H ALA B 99 22.384 -30.276 -3.155 1.00 0.00 H new ATOM 0 HA ALA B 99 24.225 -30.705 -1.114 1.00 0.00 H new ATOM 0 HB1 ALA B 99 24.911 -28.355 -1.593 1.00 0.00 H new ATOM 0 HB2 ALA B 99 24.728 -29.335 -3.067 1.00 0.00 H new ATOM 0 HB3 ALA B 99 23.464 -28.169 -2.612 1.00 0.00 H new ATOM 3117 N MET B 100 21.596 -29.322 -0.014 1.00 0.00 N ATOM 3118 CA MET B 100 20.943 -28.805 1.161 1.00 0.00 C ATOM 3119 C MET B 100 20.658 -29.816 2.239 1.00 0.00 C ATOM 3120 O MET B 100 20.086 -29.482 3.288 1.00 0.00 O ATOM 3121 CB MET B 100 19.600 -28.129 0.771 1.00 0.00 C ATOM 3122 CG MET B 100 19.805 -27.097 -0.326 1.00 0.00 C ATOM 3123 SD MET B 100 18.229 -26.281 -0.719 1.00 0.00 S ATOM 3124 CE MET B 100 18.796 -25.104 -1.944 1.00 0.00 C ATOM 0 H MET B 100 20.948 -29.627 -0.740 1.00 0.00 H new ATOM 0 HA MET B 100 21.658 -28.096 1.579 1.00 0.00 H new ATOM 0 HB2 MET B 100 18.892 -28.887 0.434 1.00 0.00 H new ATOM 0 HB3 MET B 100 19.162 -27.651 1.647 1.00 0.00 H new ATOM 0 HG2 MET B 100 20.537 -26.356 -0.006 1.00 0.00 H new ATOM 0 HG3 MET B 100 20.207 -27.578 -1.218 1.00 0.00 H new ATOM 0 HE1 MET B 100 18.236 -24.174 -1.842 1.00 0.00 H new ATOM 0 HE2 MET B 100 19.858 -24.907 -1.795 1.00 0.00 H new ATOM 0 HE3 MET B 100 18.640 -25.514 -2.942 1.00 0.00 H new ATOM 3134 N ASP B 101 21.011 -31.090 2.000 1.00 0.00 N ATOM 3135 CA ASP B 101 20.799 -32.078 3.065 1.00 0.00 C ATOM 3136 C ASP B 101 21.492 -31.591 4.333 1.00 0.00 C ATOM 3137 O ASP B 101 22.687 -31.263 4.306 1.00 0.00 O ATOM 3138 CB ASP B 101 21.305 -33.450 2.658 1.00 0.00 C ATOM 3139 CG ASP B 101 20.561 -34.577 3.347 1.00 0.00 C ATOM 3140 OD1 ASP B 101 19.678 -34.294 4.186 1.00 0.00 O ATOM 3141 OD2 ASP B 101 20.842 -35.750 3.031 1.00 0.00 O ATOM 0 H ASP B 101 21.419 -31.443 1.135 1.00 0.00 H new ATOM 0 HA ASP B 101 19.730 -32.179 3.251 1.00 0.00 H new ATOM 0 HB2 ASP B 101 21.208 -33.563 1.578 1.00 0.00 H new ATOM 0 HB3 ASP B 101 22.367 -33.525 2.892 1.00 0.00 H new ATOM 3146 N ASN B 102 20.795 -31.605 5.447 1.00 0.00 N ATOM 3147 CA ASN B 102 21.272 -31.227 6.736 1.00 0.00 C ATOM 3148 C ASN B 102 21.543 -29.742 6.912 1.00 0.00 C ATOM 3149 O ASN B 102 22.110 -29.354 7.956 1.00 0.00 O ATOM 3150 CB ASN B 102 22.556 -32.009 7.128 1.00 0.00 C ATOM 3151 CG ASN B 102 22.365 -33.513 6.948 1.00 0.00 C ATOM 3152 OD1 ASN B 102 21.421 -34.092 7.461 1.00 0.00 O ATOM 3153 ND2 ASN B 102 23.255 -34.095 6.148 1.00 0.00 N ATOM 0 H ASN B 102 19.819 -31.901 5.466 1.00 0.00 H new ATOM 0 HA ASN B 102 20.445 -31.484 7.398 1.00 0.00 H new ATOM 0 HB2 ASN B 102 23.392 -31.670 6.516 1.00 0.00 H new ATOM 0 HB3 ASN B 102 22.813 -31.794 8.165 1.00 0.00 H new ATOM 0 HD21 ASN B 102 23.172 -35.088 5.929 1.00 0.00 H new ATOM 0 HD22 ASN B 102 24.021 -33.548 5.754 1.00 0.00 H new ATOM 3160 N MET B 103 21.182 -28.907 5.954 1.00 0.00 N ATOM 3161 CA MET B 103 21.425 -27.466 6.107 1.00 0.00 C ATOM 3162 C MET B 103 20.592 -26.889 7.248 1.00 0.00 C ATOM 3163 O MET B 103 19.575 -27.427 7.649 1.00 0.00 O ATOM 3164 CB MET B 103 21.140 -26.719 4.822 1.00 0.00 C ATOM 3165 CG MET B 103 19.653 -26.384 4.596 1.00 0.00 C ATOM 3166 SD MET B 103 19.473 -25.377 3.109 1.00 0.00 S ATOM 3167 CE MET B 103 17.682 -25.414 2.897 1.00 0.00 C ATOM 0 H MET B 103 20.731 -29.182 5.081 1.00 0.00 H new ATOM 0 HA MET B 103 22.480 -27.338 6.348 1.00 0.00 H new ATOM 0 HB2 MET B 103 21.713 -25.792 4.821 1.00 0.00 H new ATOM 0 HB3 MET B 103 21.497 -27.316 3.983 1.00 0.00 H new ATOM 0 HG2 MET B 103 19.075 -27.303 4.497 1.00 0.00 H new ATOM 0 HG3 MET B 103 19.256 -25.849 5.459 1.00 0.00 H new ATOM 0 HE1 MET B 103 17.408 -24.834 2.016 1.00 0.00 H new ATOM 0 HE2 MET B 103 17.352 -26.445 2.770 1.00 0.00 H new ATOM 0 HE3 MET B 103 17.203 -24.985 3.777 1.00 0.00 H new ATOM 3177 N THR B 104 20.983 -25.680 7.677 1.00 0.00 N ATOM 3178 CA THR B 104 20.184 -24.949 8.666 1.00 0.00 C ATOM 3179 C THR B 104 19.792 -23.590 8.084 1.00 0.00 C ATOM 3180 O THR B 104 20.622 -22.897 7.538 1.00 0.00 O ATOM 3181 CB THR B 104 20.987 -24.741 9.965 1.00 0.00 C ATOM 3182 OG1 THR B 104 21.261 -26.034 10.537 1.00 0.00 O ATOM 3183 CG2 THR B 104 20.230 -23.889 10.957 1.00 0.00 C ATOM 0 H THR B 104 21.826 -25.199 7.363 1.00 0.00 H new ATOM 0 HA THR B 104 19.291 -25.528 8.900 1.00 0.00 H new ATOM 0 HB THR B 104 21.914 -24.218 9.730 1.00 0.00 H new ATOM 0 HG1 THR B 104 21.774 -25.923 11.365 1.00 0.00 H new ATOM 0 HG21 THR B 104 20.828 -23.764 11.860 1.00 0.00 H new ATOM 0 HG22 THR B 104 20.028 -22.912 10.518 1.00 0.00 H new ATOM 0 HG23 THR B 104 19.288 -24.375 11.210 1.00 0.00 H new ATOM 3191 N VAL B 105 18.516 -23.218 8.245 1.00 0.00 N ATOM 3192 CA VAL B 105 18.049 -21.904 7.873 1.00 0.00 C ATOM 3193 C VAL B 105 17.543 -21.185 9.138 1.00 0.00 C ATOM 3194 O VAL B 105 17.130 -21.855 10.072 1.00 0.00 O ATOM 3195 CB VAL B 105 16.945 -21.875 6.822 1.00 0.00 C ATOM 3196 CG1 VAL B 105 17.429 -22.388 5.471 1.00 0.00 C ATOM 3197 CG2 VAL B 105 15.693 -22.631 7.260 1.00 0.00 C ATOM 0 H VAL B 105 17.794 -23.824 8.635 1.00 0.00 H new ATOM 0 HA VAL B 105 18.904 -21.406 7.416 1.00 0.00 H new ATOM 0 HB VAL B 105 16.672 -20.826 6.711 1.00 0.00 H new ATOM 0 HG11 VAL B 105 16.610 -22.350 4.753 1.00 0.00 H new ATOM 0 HG12 VAL B 105 18.251 -21.765 5.118 1.00 0.00 H new ATOM 0 HG13 VAL B 105 17.773 -23.417 5.575 1.00 0.00 H new ATOM 0 HG21 VAL B 105 14.941 -22.577 6.473 1.00 0.00 H new ATOM 0 HG22 VAL B 105 15.946 -23.674 7.449 1.00 0.00 H new ATOM 0 HG23 VAL B 105 15.297 -22.182 8.171 1.00 0.00 H new ATOM 3207 N ARG B 106 17.595 -19.853 9.121 1.00 0.00 N ATOM 3208 CA ARG B 106 17.143 -19.079 10.261 1.00 0.00 C ATOM 3209 C ARG B 106 15.948 -18.211 9.909 1.00 0.00 C ATOM 3210 O ARG B 106 15.928 -17.532 8.877 1.00 0.00 O ATOM 3211 CB ARG B 106 18.280 -18.188 10.818 1.00 0.00 C ATOM 3212 CG ARG B 106 17.792 -17.329 12.013 1.00 0.00 C ATOM 3213 CD ARG B 106 18.910 -16.472 12.535 1.00 0.00 C ATOM 3214 NE ARG B 106 20.036 -17.214 13.069 1.00 0.00 N ATOM 3215 CZ ARG B 106 20.071 -17.771 14.280 1.00 0.00 C ATOM 3216 NH1 ARG B 106 19.026 -17.709 15.091 1.00 0.00 N ATOM 3217 NH2 ARG B 106 21.167 -18.407 14.690 1.00 0.00 N ATOM 0 H ARG B 106 17.942 -19.300 8.338 1.00 0.00 H new ATOM 0 HA ARG B 106 16.841 -19.793 11.027 1.00 0.00 H new ATOM 0 HB2 ARG B 106 19.113 -18.815 11.135 1.00 0.00 H new ATOM 0 HB3 ARG B 106 18.654 -17.536 10.028 1.00 0.00 H new ATOM 0 HG2 ARG B 106 16.959 -16.700 11.700 1.00 0.00 H new ATOM 0 HG3 ARG B 106 17.421 -17.977 12.807 1.00 0.00 H new ATOM 0 HD2 ARG B 106 19.264 -15.828 11.730 1.00 0.00 H new ATOM 0 HD3 ARG B 106 18.517 -15.820 13.315 1.00 0.00 H new ATOM 0 HE ARG B 106 20.860 -17.317 12.476 1.00 0.00 H new ATOM 0 HH11 ARG B 106 18.177 -17.229 14.793 1.00 0.00 H new ATOM 0 HH12 ARG B 106 19.070 -18.141 16.014 1.00 0.00 H new ATOM 0 HH21 ARG B 106 21.980 -18.468 14.078 1.00 0.00 H new ATOM 0 HH22 ARG B 106 21.193 -18.833 15.617 1.00 0.00 H new ATOM 3231 N VAL B 107 14.939 -18.248 10.780 1.00 0.00 N ATOM 3232 CA VAL B 107 13.781 -17.394 10.669 1.00 0.00 C ATOM 3233 C VAL B 107 14.048 -16.127 11.512 1.00 0.00 C ATOM 3234 O VAL B 107 14.267 -16.149 12.670 1.00 0.00 O ATOM 3235 CB VAL B 107 12.490 -18.041 11.151 1.00 0.00 C ATOM 3236 CG1 VAL B 107 11.304 -17.103 10.932 1.00 0.00 C ATOM 3237 CG2 VAL B 107 12.233 -19.394 10.501 1.00 0.00 C ATOM 0 H VAL B 107 14.913 -18.878 11.582 1.00 0.00 H new ATOM 0 HA VAL B 107 13.638 -17.172 9.611 1.00 0.00 H new ATOM 0 HB VAL B 107 12.607 -18.222 12.219 1.00 0.00 H new ATOM 0 HG11 VAL B 107 10.391 -17.583 11.283 1.00 0.00 H new ATOM 0 HG12 VAL B 107 11.464 -16.179 11.487 1.00 0.00 H new ATOM 0 HG13 VAL B 107 11.210 -16.877 9.870 1.00 0.00 H new ATOM 0 HG21 VAL B 107 11.300 -19.809 10.882 1.00 0.00 H new ATOM 0 HG22 VAL B 107 12.161 -19.271 9.420 1.00 0.00 H new ATOM 0 HG23 VAL B 107 13.054 -20.072 10.735 1.00 0.00 H new ATOM 3247 N PRO B 108 14.115 -14.997 10.732 1.00 0.00 N ATOM 3248 CA PRO B 108 14.404 -13.733 11.401 1.00 0.00 C ATOM 3249 C PRO B 108 13.233 -13.170 12.160 1.00 0.00 C ATOM 3250 O PRO B 108 12.055 -13.519 11.891 1.00 0.00 O ATOM 3251 CB PRO B 108 14.846 -12.840 10.241 1.00 0.00 C ATOM 3252 CG PRO B 108 13.949 -13.269 9.134 1.00 0.00 C ATOM 3253 CD PRO B 108 13.860 -14.774 9.251 1.00 0.00 C ATOM 3254 OXT PRO B 108 13.464 -12.412 13.141 1.00 0.00 O ATOM 0 HA PRO B 108 15.157 -13.834 12.182 1.00 0.00 H new ATOM 0 HB2 PRO B 108 14.723 -11.783 10.475 1.00 0.00 H new ATOM 0 HB3 PRO B 108 15.896 -12.991 9.992 1.00 0.00 H new ATOM 0 HG2 PRO B 108 12.965 -12.809 9.225 1.00 0.00 H new ATOM 0 HG3 PRO B 108 14.351 -12.973 8.165 1.00 0.00 H new ATOM 0 HD2 PRO B 108 12.883 -15.149 8.945 1.00 0.00 H new ATOM 0 HD3 PRO B 108 14.603 -15.275 8.630 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 4.709 -14.756 0.252 1.00 0.00 FE HETATM 3339 FE2 FES B 109 6.865 -16.241 -0.165 1.00 0.00 FE HETATM 3340 S1 FES B 109 6.447 -14.277 -1.004 1.00 0.00 S HETATM 3341 S2 FES B 109 5.026 -16.871 0.796 1.00 0.00 S