USER MOD reduce.3.24.130724 H: found=0, std=0, add=901, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 897 hydrogens (0 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 Set 1.1: A 17 LYS NZ :NH3+ 153:sc=-0.00598 (180deg=0) USER MOD Set 1.2: A 90 ASN : amide:sc= 0.283 K(o=0.28,f=-0.85) USER MOD Set 2.1: A 43 HIS : no HD1:sc= -0.198 X(o=-0.2,f=-0.0044) USER MOD Set 2.2: A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 41 TYR OH : rot -98:sc= 0.585 USER MOD Set 3.2: A 49 CYS SG : rot 67:sc= -0.44 USER MOD Set 4.1: A 10 TYR OH : rot 36:sc= 0.0844 USER MOD Set 4.2: A 101 GLN : amide:sc= 0.0826 X(o=0.17,f=0) USER MOD Single : A 1 GLY N :NH3+ -132:sc= 0.0688 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 44:sc= 0.421 USER MOD Single : A 5 SER OG : rot -55:sc= 1.04 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -160:sc= -0.0132 (180deg=-0.492) USER MOD Single : A 33 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.186) USER MOD Single : A 34 THR OG1 : rot -41:sc= 0.659 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS :FLIP no HE2:sc= -2.32 F(o=-4.3!,f=-2.3) USER MOD Single : A 37 GLN : amide:sc= -1.58 K(o=-1.6,f=-3!) USER MOD Single : A 40 TYR OH : rot 92:sc= 0.734 USER MOD Single : A 47 THR OG1 : rot -56:sc= 0.976 USER MOD Single : A 50 LYS NZ :NH3+ -140:sc= 0.0927 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.0221 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -155:sc= -0.0631 (180deg=-0.501) USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.389 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot -152:sc= 0.011 USER MOD Single : A 85 THR OG1 : rot -144:sc= 0.877 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 CYS SG : rot -128:sc= -0.697 USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 SER OG : rot 84:sc= -0.187 USER MOD Single : A 100 GLN : amide:sc= -0.603 K(o=-0.6,f=-2.1) USER MOD Single : A 107 GLN : amide:sc= -2.44! C(o=-2.4!,f=-4.6!) USER MOD Single : A 108 SER OG : rot -38:sc= 0.0158 USER MOD Single : A 109 CYS SG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -17.634 -4.866 -7.574 1.00 0.00 N ATOM 2 CA GLY A 1 -16.688 -3.899 -8.103 1.00 0.00 C ATOM 3 C GLY A 1 -16.060 -4.403 -9.404 1.00 0.00 C ATOM 4 O GLY A 1 -16.638 -5.241 -10.094 1.00 0.00 O ATOM 0 H1 GLY A 1 -18.520 -4.383 -7.322 1.00 0.00 H new ATOM 0 H2 GLY A 1 -17.827 -5.592 -8.293 1.00 0.00 H new ATOM 0 H3 GLY A 1 -17.233 -5.317 -6.727 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -17.194 -2.950 -8.283 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -15.907 -3.709 -7.367 1.00 0.00 H new ATOM 8 N SER A 2 -14.883 -3.870 -9.701 1.00 0.00 N ATOM 9 CA SER A 2 -14.170 -4.255 -10.907 1.00 0.00 C ATOM 10 C SER A 2 -12.701 -4.531 -10.580 1.00 0.00 C ATOM 11 O SER A 2 -12.242 -4.243 -9.476 1.00 0.00 O ATOM 12 CB SER A 2 -14.280 -3.171 -11.981 1.00 0.00 C ATOM 13 OG SER A 2 -15.631 -2.943 -12.373 1.00 0.00 O ATOM 0 H SER A 2 -14.406 -3.175 -9.127 1.00 0.00 H new ATOM 0 HA SER A 2 -14.626 -5.164 -11.299 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.850 -2.243 -11.605 1.00 0.00 H new ATOM 0 HB3 SER A 2 -13.694 -3.463 -12.852 1.00 0.00 H new ATOM 0 HG SER A 2 -15.659 -2.243 -13.059 1.00 0.00 H new ATOM 19 N SER A 3 -12.004 -5.086 -11.561 1.00 0.00 N ATOM 20 CA SER A 3 -10.597 -5.405 -11.392 1.00 0.00 C ATOM 21 C SER A 3 -9.878 -5.331 -12.740 1.00 0.00 C ATOM 22 O SER A 3 -9.957 -6.261 -13.542 1.00 0.00 O ATOM 23 CB SER A 3 -10.416 -6.791 -10.769 1.00 0.00 C ATOM 24 OG SER A 3 -11.107 -7.799 -11.501 1.00 0.00 O ATOM 0 H SER A 3 -12.388 -5.323 -12.476 1.00 0.00 H new ATOM 0 HA SER A 3 -10.160 -4.672 -10.713 1.00 0.00 H new ATOM 0 HB2 SER A 3 -9.354 -7.035 -10.729 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.778 -6.777 -9.741 1.00 0.00 H new ATOM 0 HG SER A 3 -10.964 -7.663 -12.461 1.00 0.00 H new ATOM 30 N GLY A 4 -9.191 -4.217 -12.949 1.00 0.00 N ATOM 31 CA GLY A 4 -8.459 -4.010 -14.187 1.00 0.00 C ATOM 32 C GLY A 4 -7.272 -3.069 -13.970 1.00 0.00 C ATOM 33 O GLY A 4 -6.237 -3.479 -13.447 1.00 0.00 O ATOM 0 H GLY A 4 -9.126 -3.448 -12.282 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -8.104 -4.967 -14.568 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -9.125 -3.593 -14.942 1.00 0.00 H new ATOM 37 N SER A 5 -7.462 -1.825 -14.384 1.00 0.00 N ATOM 38 CA SER A 5 -6.420 -0.822 -14.243 1.00 0.00 C ATOM 39 C SER A 5 -5.155 -1.274 -14.976 1.00 0.00 C ATOM 40 O SER A 5 -5.059 -2.423 -15.404 1.00 0.00 O ATOM 41 CB SER A 5 -6.111 -0.553 -12.768 1.00 0.00 C ATOM 42 OG SER A 5 -5.254 -1.546 -12.213 1.00 0.00 O ATOM 0 H SER A 5 -8.322 -1.489 -14.817 1.00 0.00 H new ATOM 0 HA SER A 5 -6.777 0.107 -14.687 1.00 0.00 H new ATOM 0 HB2 SER A 5 -5.643 0.426 -12.668 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.042 -0.521 -12.202 1.00 0.00 H new ATOM 0 HG SER A 5 -5.650 -2.432 -12.347 1.00 0.00 H new ATOM 48 N SER A 6 -4.217 -0.347 -15.097 1.00 0.00 N ATOM 49 CA SER A 6 -2.962 -0.635 -15.771 1.00 0.00 C ATOM 50 C SER A 6 -1.907 -1.067 -14.750 1.00 0.00 C ATOM 51 O SER A 6 -1.465 -0.263 -13.931 1.00 0.00 O ATOM 52 CB SER A 6 -2.470 0.578 -16.562 1.00 0.00 C ATOM 53 OG SER A 6 -3.316 0.872 -17.671 1.00 0.00 O ATOM 0 H SER A 6 -4.300 0.605 -14.740 1.00 0.00 H new ATOM 0 HA SER A 6 -3.131 -1.449 -16.476 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.422 1.445 -15.903 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.457 0.392 -16.918 1.00 0.00 H new ATOM 0 HG SER A 6 -2.969 1.654 -18.149 1.00 0.00 H new ATOM 59 N GLY A 7 -1.535 -2.336 -14.833 1.00 0.00 N ATOM 60 CA GLY A 7 -0.540 -2.884 -13.927 1.00 0.00 C ATOM 61 C GLY A 7 -1.087 -4.105 -13.185 1.00 0.00 C ATOM 62 O GLY A 7 -2.244 -4.480 -13.369 1.00 0.00 O ATOM 0 H GLY A 7 -1.905 -3.000 -15.513 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.352 -3.164 -14.487 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.239 -2.122 -13.208 1.00 0.00 H new ATOM 66 N ARG A 8 -0.230 -4.693 -12.364 1.00 0.00 N ATOM 67 CA ARG A 8 -0.613 -5.864 -11.594 1.00 0.00 C ATOM 68 C ARG A 8 -1.053 -5.454 -10.187 1.00 0.00 C ATOM 69 O ARG A 8 -1.102 -6.285 -9.282 1.00 0.00 O ATOM 70 CB ARG A 8 0.546 -6.857 -11.489 1.00 0.00 C ATOM 71 CG ARG A 8 0.051 -8.296 -11.646 1.00 0.00 C ATOM 72 CD ARG A 8 0.498 -9.162 -10.467 1.00 0.00 C ATOM 73 NE ARG A 8 0.592 -10.578 -10.885 1.00 0.00 N ATOM 74 CZ ARG A 8 1.549 -11.063 -11.688 1.00 0.00 C ATOM 75 NH1 ARG A 8 2.500 -10.248 -12.164 1.00 0.00 N ATOM 76 NH2 ARG A 8 1.555 -12.362 -12.015 1.00 0.00 N ATOM 0 H ARG A 8 0.729 -4.380 -12.215 1.00 0.00 H new ATOM 0 HA ARG A 8 -1.443 -6.345 -12.112 1.00 0.00 H new ATOM 0 HB2 ARG A 8 1.288 -6.638 -12.257 1.00 0.00 H new ATOM 0 HB3 ARG A 8 1.042 -6.742 -10.525 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -1.037 -8.304 -11.716 1.00 0.00 H new ATOM 0 HG3 ARG A 8 0.434 -8.716 -12.576 1.00 0.00 H new ATOM 0 HD2 ARG A 8 1.465 -8.818 -10.099 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -0.210 -9.064 -9.644 1.00 0.00 H new ATOM 0 HE ARG A 8 -0.116 -11.226 -10.540 1.00 0.00 H new ATOM 0 HH11 ARG A 8 2.495 -9.259 -11.915 1.00 0.00 H new ATOM 0 HH12 ARG A 8 3.229 -10.617 -12.775 1.00 0.00 H new ATOM 0 HH21 ARG A 8 0.831 -12.982 -11.653 1.00 0.00 H new ATOM 0 HH22 ARG A 8 2.284 -12.731 -12.626 1.00 0.00 H new ATOM 90 N SER A 9 -1.363 -4.173 -10.048 1.00 0.00 N ATOM 91 CA SER A 9 -1.797 -3.643 -8.767 1.00 0.00 C ATOM 92 C SER A 9 -2.904 -2.608 -8.977 1.00 0.00 C ATOM 93 O SER A 9 -3.435 -2.477 -10.079 1.00 0.00 O ATOM 94 CB SER A 9 -0.627 -3.021 -8.003 1.00 0.00 C ATOM 95 OG SER A 9 0.538 -2.903 -8.815 1.00 0.00 O ATOM 0 H SER A 9 -1.322 -3.487 -10.802 1.00 0.00 H new ATOM 0 HA SER A 9 -2.187 -4.468 -8.171 1.00 0.00 H new ATOM 0 HB2 SER A 9 -0.916 -2.035 -7.638 1.00 0.00 H new ATOM 0 HB3 SER A 9 -0.399 -3.631 -7.129 1.00 0.00 H new ATOM 0 HG SER A 9 1.262 -2.500 -8.292 1.00 0.00 H new ATOM 101 N TYR A 10 -3.219 -1.899 -7.903 1.00 0.00 N ATOM 102 CA TYR A 10 -4.252 -0.879 -7.956 1.00 0.00 C ATOM 103 C TYR A 10 -3.663 0.513 -7.719 1.00 0.00 C ATOM 104 O TYR A 10 -3.215 0.821 -6.616 1.00 0.00 O ATOM 105 CB TYR A 10 -5.227 -1.207 -6.823 1.00 0.00 C ATOM 106 CG TYR A 10 -6.396 -0.228 -6.705 1.00 0.00 C ATOM 107 CD1 TYR A 10 -7.414 -0.253 -7.637 1.00 0.00 C ATOM 108 CD2 TYR A 10 -6.433 0.681 -5.667 1.00 0.00 C ATOM 109 CE1 TYR A 10 -8.515 0.669 -7.526 1.00 0.00 C ATOM 110 CE2 TYR A 10 -7.534 1.602 -5.556 1.00 0.00 C ATOM 111 CZ TYR A 10 -8.520 1.551 -6.491 1.00 0.00 C ATOM 112 OH TYR A 10 -9.560 2.421 -6.386 1.00 0.00 O ATOM 0 H TYR A 10 -2.777 -2.011 -6.991 1.00 0.00 H new ATOM 0 HA TYR A 10 -4.734 -0.872 -8.934 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -5.622 -2.211 -6.977 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -4.681 -1.220 -5.880 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -7.385 -0.964 -8.449 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -5.636 0.701 -4.938 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -9.318 0.660 -8.248 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -7.576 2.317 -4.748 1.00 0.00 H new ATOM 0 HH TYR A 10 -10.387 1.978 -6.669 1.00 0.00 H new ATOM 122 N GLU A 11 -3.681 1.315 -8.773 1.00 0.00 N ATOM 123 CA GLU A 11 -3.153 2.667 -8.693 1.00 0.00 C ATOM 124 C GLU A 11 -4.298 3.683 -8.667 1.00 0.00 C ATOM 125 O GLU A 11 -5.412 3.378 -9.088 1.00 0.00 O ATOM 126 CB GLU A 11 -2.195 2.951 -9.851 1.00 0.00 C ATOM 127 CG GLU A 11 -2.828 2.573 -11.192 1.00 0.00 C ATOM 128 CD GLU A 11 -2.309 1.220 -11.682 1.00 0.00 C ATOM 129 OE1 GLU A 11 -1.072 1.043 -11.656 1.00 0.00 O ATOM 130 OE2 GLU A 11 -3.161 0.392 -12.071 1.00 0.00 O ATOM 0 H GLU A 11 -4.053 1.055 -9.687 1.00 0.00 H new ATOM 0 HA GLU A 11 -2.588 2.761 -7.766 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -1.928 4.008 -9.856 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -1.271 2.390 -9.710 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -3.912 2.534 -11.088 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -2.606 3.341 -11.932 1.00 0.00 H new ATOM 137 N GLY A 12 -3.982 4.869 -8.168 1.00 0.00 N ATOM 138 CA GLY A 12 -4.970 5.931 -8.081 1.00 0.00 C ATOM 139 C GLY A 12 -4.448 7.098 -7.240 1.00 0.00 C ATOM 140 O GLY A 12 -3.565 6.918 -6.403 1.00 0.00 O ATOM 0 H GLY A 12 -3.056 5.118 -7.820 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -5.220 6.283 -9.082 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -5.888 5.543 -7.641 1.00 0.00 H new ATOM 144 N ILE A 13 -5.016 8.268 -7.492 1.00 0.00 N ATOM 145 CA ILE A 13 -4.619 9.464 -6.769 1.00 0.00 C ATOM 146 C ILE A 13 -4.870 9.257 -5.274 1.00 0.00 C ATOM 147 O ILE A 13 -5.889 8.687 -4.885 1.00 0.00 O ATOM 148 CB ILE A 13 -5.319 10.696 -7.345 1.00 0.00 C ATOM 149 CG1 ILE A 13 -4.605 11.194 -8.604 1.00 0.00 C ATOM 150 CG2 ILE A 13 -5.453 11.795 -6.289 1.00 0.00 C ATOM 151 CD1 ILE A 13 -3.412 12.080 -8.242 1.00 0.00 C ATOM 0 H ILE A 13 -5.748 8.413 -8.187 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.551 9.647 -6.892 1.00 0.00 H new ATOM 0 HB ILE A 13 -6.328 10.409 -7.640 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -4.265 10.343 -9.194 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -5.304 11.754 -9.225 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -5.954 12.659 -6.725 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -6.038 11.422 -5.448 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -4.462 12.087 -5.940 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -2.922 12.421 -9.154 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -3.759 12.942 -7.672 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -2.704 11.509 -7.641 1.00 0.00 H new ATOM 163 N LEU A 14 -3.924 9.731 -4.476 1.00 0.00 N ATOM 164 CA LEU A 14 -4.030 9.605 -3.033 1.00 0.00 C ATOM 165 C LEU A 14 -3.342 10.800 -2.369 1.00 0.00 C ATOM 166 O LEU A 14 -2.142 11.003 -2.541 1.00 0.00 O ATOM 167 CB LEU A 14 -3.489 8.250 -2.572 1.00 0.00 C ATOM 168 CG LEU A 14 -4.529 7.146 -2.368 1.00 0.00 C ATOM 169 CD1 LEU A 14 -3.854 5.796 -2.120 1.00 0.00 C ATOM 170 CD2 LEU A 14 -5.506 7.513 -1.249 1.00 0.00 C ATOM 0 H LEU A 14 -3.081 10.203 -4.802 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.075 9.626 -2.725 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.760 7.904 -3.305 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.954 8.395 -1.634 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.111 7.051 -3.285 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.615 5.029 -1.978 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.233 5.537 -2.977 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.232 5.859 -1.227 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.234 6.712 -1.125 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.957 7.652 -0.318 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.024 8.437 -1.506 1.00 0.00 H new ATOM 182 N TYR A 15 -4.133 11.559 -1.625 1.00 0.00 N ATOM 183 CA TYR A 15 -3.616 12.728 -0.934 1.00 0.00 C ATOM 184 C TYR A 15 -2.998 12.342 0.411 1.00 0.00 C ATOM 185 O TYR A 15 -3.337 11.304 0.978 1.00 0.00 O ATOM 186 CB TYR A 15 -4.819 13.639 -0.687 1.00 0.00 C ATOM 187 CG TYR A 15 -5.367 14.304 -1.952 1.00 0.00 C ATOM 188 CD1 TYR A 15 -5.976 13.538 -2.925 1.00 0.00 C ATOM 189 CD2 TYR A 15 -5.252 15.669 -2.119 1.00 0.00 C ATOM 190 CE1 TYR A 15 -6.492 14.164 -4.115 1.00 0.00 C ATOM 191 CE2 TYR A 15 -5.767 16.294 -3.309 1.00 0.00 C ATOM 192 CZ TYR A 15 -6.362 15.511 -4.249 1.00 0.00 C ATOM 193 OH TYR A 15 -6.848 16.102 -5.373 1.00 0.00 O ATOM 0 H TYR A 15 -5.129 11.387 -1.486 1.00 0.00 H new ATOM 0 HA TYR A 15 -2.840 13.212 -1.528 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -5.614 13.056 -0.222 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -4.535 14.414 0.024 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -6.066 12.470 -2.794 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -4.776 16.268 -1.357 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -6.972 13.577 -4.884 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -5.683 17.361 -3.452 1.00 0.00 H new ATOM 0 HH TYR A 15 -6.686 17.068 -5.331 1.00 0.00 H new ATOM 203 N LYS A 16 -2.104 13.197 0.883 1.00 0.00 N ATOM 204 CA LYS A 16 -1.436 12.959 2.151 1.00 0.00 C ATOM 205 C LYS A 16 -1.663 14.156 3.076 1.00 0.00 C ATOM 206 O LYS A 16 -2.051 15.231 2.621 1.00 0.00 O ATOM 207 CB LYS A 16 0.041 12.628 1.926 1.00 0.00 C ATOM 208 CG LYS A 16 0.456 11.396 2.733 1.00 0.00 C ATOM 209 CD LYS A 16 1.208 11.802 4.003 1.00 0.00 C ATOM 210 CE LYS A 16 2.704 11.962 3.726 1.00 0.00 C ATOM 211 NZ LYS A 16 3.488 11.721 4.958 1.00 0.00 N ATOM 0 H LYS A 16 -1.826 14.057 0.410 1.00 0.00 H new ATOM 0 HA LYS A 16 -1.862 12.087 2.647 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.220 12.450 0.866 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.656 13.480 2.214 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -0.428 10.816 2.999 1.00 0.00 H new ATOM 0 HG3 LYS A 16 1.088 10.752 2.122 1.00 0.00 H new ATOM 0 HD2 LYS A 16 0.803 12.739 4.386 1.00 0.00 H new ATOM 0 HD3 LYS A 16 1.056 11.049 4.776 1.00 0.00 H new ATOM 0 HE2 LYS A 16 3.013 11.263 2.949 1.00 0.00 H new ATOM 0 HE3 LYS A 16 2.905 12.965 3.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 4.501 11.834 4.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 3.205 12.405 5.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 3.309 10.755 5.300 1.00 0.00 H new ATOM 225 N LYS A 17 -1.412 13.931 4.357 1.00 0.00 N ATOM 226 CA LYS A 17 -1.585 14.978 5.349 1.00 0.00 C ATOM 227 C LYS A 17 -0.217 15.374 5.910 1.00 0.00 C ATOM 228 O LYS A 17 0.672 14.534 6.038 1.00 0.00 O ATOM 229 CB LYS A 17 -2.586 14.541 6.421 1.00 0.00 C ATOM 230 CG LYS A 17 -3.265 15.752 7.063 1.00 0.00 C ATOM 231 CD LYS A 17 -4.478 15.325 7.892 1.00 0.00 C ATOM 232 CE LYS A 17 -4.086 15.072 9.349 1.00 0.00 C ATOM 233 NZ LYS A 17 -4.958 14.037 9.948 1.00 0.00 N ATOM 0 H LYS A 17 -1.090 13.038 4.731 1.00 0.00 H new ATOM 0 HA LYS A 17 -2.013 15.870 4.891 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -3.339 13.890 5.977 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -2.073 13.959 7.187 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -2.553 16.278 7.699 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -3.578 16.451 6.288 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.244 16.099 7.847 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -4.913 14.421 7.467 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -3.045 14.754 9.402 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -4.166 15.998 9.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -4.447 13.552 10.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -5.814 14.485 10.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -5.227 13.345 9.219 1.00 0.00 H new ATOM 247 N GLY A 18 -0.092 16.653 6.229 1.00 0.00 N ATOM 248 CA GLY A 18 1.152 17.171 6.773 1.00 0.00 C ATOM 249 C GLY A 18 2.059 17.699 5.660 1.00 0.00 C ATOM 250 O GLY A 18 2.477 16.944 4.784 1.00 0.00 O ATOM 0 H GLY A 18 -0.832 17.347 6.121 1.00 0.00 H new ATOM 0 HA2 GLY A 18 0.938 17.970 7.482 1.00 0.00 H new ATOM 0 HA3 GLY A 18 1.667 16.385 7.325 1.00 0.00 H new ATOM 254 N ALA A 19 2.336 18.993 5.731 1.00 0.00 N ATOM 255 CA ALA A 19 3.186 19.631 4.740 1.00 0.00 C ATOM 256 C ALA A 19 3.618 21.006 5.255 1.00 0.00 C ATOM 257 O ALA A 19 3.374 21.345 6.412 1.00 0.00 O ATOM 258 CB ALA A 19 2.441 19.715 3.406 1.00 0.00 C ATOM 0 H ALA A 19 1.987 19.616 6.459 1.00 0.00 H new ATOM 0 HA ALA A 19 4.088 19.043 4.572 1.00 0.00 H new ATOM 0 HB1 ALA A 19 3.079 20.194 2.663 1.00 0.00 H new ATOM 0 HB2 ALA A 19 2.182 18.711 3.070 1.00 0.00 H new ATOM 0 HB3 ALA A 19 1.531 20.300 3.534 1.00 0.00 H new ATOM 264 N PHE A 20 4.252 21.762 4.370 1.00 0.00 N ATOM 265 CA PHE A 20 4.719 23.092 4.720 1.00 0.00 C ATOM 266 C PHE A 20 3.590 24.118 4.606 1.00 0.00 C ATOM 267 O PHE A 20 3.433 24.761 3.570 1.00 0.00 O ATOM 268 CB PHE A 20 5.823 23.454 3.724 1.00 0.00 C ATOM 269 CG PHE A 20 6.937 22.410 3.622 1.00 0.00 C ATOM 270 CD1 PHE A 20 7.618 22.031 4.737 1.00 0.00 C ATOM 271 CD2 PHE A 20 7.244 21.859 2.417 1.00 0.00 C ATOM 272 CE1 PHE A 20 8.652 21.062 4.642 1.00 0.00 C ATOM 273 CE2 PHE A 20 8.278 20.890 2.322 1.00 0.00 C ATOM 274 CZ PHE A 20 8.959 20.512 3.437 1.00 0.00 C ATOM 0 H PHE A 20 4.453 21.478 3.411 1.00 0.00 H new ATOM 0 HA PHE A 20 5.079 23.101 5.749 1.00 0.00 H new ATOM 0 HB2 PHE A 20 5.378 23.593 2.739 1.00 0.00 H new ATOM 0 HB3 PHE A 20 6.260 24.410 4.014 1.00 0.00 H new ATOM 0 HD1 PHE A 20 7.372 22.467 5.694 1.00 0.00 H new ATOM 0 HD2 PHE A 20 6.702 22.158 1.532 1.00 0.00 H new ATOM 0 HE1 PHE A 20 9.194 20.762 5.527 1.00 0.00 H new ATOM 0 HE2 PHE A 20 8.523 20.454 1.365 1.00 0.00 H new ATOM 0 HZ PHE A 20 9.744 19.774 3.365 1.00 0.00 H new ATOM 284 N MET A 21 2.832 24.238 5.686 1.00 0.00 N ATOM 285 CA MET A 21 1.722 25.175 5.721 1.00 0.00 C ATOM 286 C MET A 21 0.595 24.723 4.790 1.00 0.00 C ATOM 287 O MET A 21 -0.533 24.509 5.234 1.00 0.00 O ATOM 288 CB MET A 21 2.210 26.561 5.297 1.00 0.00 C ATOM 289 CG MET A 21 2.161 27.542 6.470 1.00 0.00 C ATOM 290 SD MET A 21 1.490 29.106 5.931 1.00 0.00 S ATOM 291 CE MET A 21 3.001 30.012 5.648 1.00 0.00 C ATOM 0 H MET A 21 2.965 23.702 6.543 1.00 0.00 H new ATOM 0 HA MET A 21 1.334 25.213 6.739 1.00 0.00 H new ATOM 0 HB2 MET A 21 3.230 26.491 4.919 1.00 0.00 H new ATOM 0 HB3 MET A 21 1.592 26.934 4.480 1.00 0.00 H new ATOM 0 HG2 MET A 21 1.548 27.131 7.273 1.00 0.00 H new ATOM 0 HG3 MET A 21 3.162 27.687 6.876 1.00 0.00 H new ATOM 0 HE1 MET A 21 2.763 31.019 5.304 1.00 0.00 H new ATOM 0 HE2 MET A 21 3.569 30.071 6.576 1.00 0.00 H new ATOM 0 HE3 MET A 21 3.595 29.501 4.890 1.00 0.00 H new ATOM 301 N LYS A 22 0.938 24.592 3.518 1.00 0.00 N ATOM 302 CA LYS A 22 -0.031 24.170 2.521 1.00 0.00 C ATOM 303 C LYS A 22 -0.901 23.053 3.102 1.00 0.00 C ATOM 304 O LYS A 22 -0.521 22.411 4.080 1.00 0.00 O ATOM 305 CB LYS A 22 0.673 23.786 1.218 1.00 0.00 C ATOM 306 CG LYS A 22 1.106 25.031 0.441 1.00 0.00 C ATOM 307 CD LYS A 22 0.002 25.494 -0.512 1.00 0.00 C ATOM 308 CE LYS A 22 0.330 25.111 -1.957 1.00 0.00 C ATOM 309 NZ LYS A 22 -0.907 25.035 -2.766 1.00 0.00 N ATOM 0 H LYS A 22 1.874 24.771 3.154 1.00 0.00 H new ATOM 0 HA LYS A 22 -0.697 24.994 2.265 1.00 0.00 H new ATOM 0 HB2 LYS A 22 1.544 23.170 1.439 1.00 0.00 H new ATOM 0 HB3 LYS A 22 0.004 23.184 0.603 1.00 0.00 H new ATOM 0 HG2 LYS A 22 1.349 25.833 1.138 1.00 0.00 H new ATOM 0 HG3 LYS A 22 2.012 24.814 -0.125 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -0.948 25.046 -0.220 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -0.119 26.575 -0.437 1.00 0.00 H new ATOM 0 HE2 LYS A 22 1.010 25.846 -2.389 1.00 0.00 H new ATOM 0 HE3 LYS A 22 0.844 24.150 -1.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -0.667 24.774 -3.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -1.542 24.317 -2.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -1.382 25.960 -2.761 1.00 0.00 H new ATOM 323 N PRO A 23 -2.081 22.850 2.458 1.00 0.00 N ATOM 324 CA PRO A 23 -3.008 21.822 2.901 1.00 0.00 C ATOM 325 C PRO A 23 -2.512 20.429 2.504 1.00 0.00 C ATOM 326 O PRO A 23 -1.337 20.252 2.188 1.00 0.00 O ATOM 327 CB PRO A 23 -4.336 22.185 2.257 1.00 0.00 C ATOM 328 CG PRO A 23 -4.000 23.129 1.114 1.00 0.00 C ATOM 329 CD PRO A 23 -2.564 23.591 1.297 1.00 0.00 C ATOM 0 HA PRO A 23 -3.105 21.782 3.986 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -4.849 21.295 1.891 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -5.001 22.663 2.976 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -4.119 22.625 0.155 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -4.678 23.982 1.112 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -1.964 23.377 0.413 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -2.513 24.667 1.464 1.00 0.00 H new ATOM 337 N TRP A 24 -3.434 19.478 2.533 1.00 0.00 N ATOM 338 CA TRP A 24 -3.105 18.107 2.180 1.00 0.00 C ATOM 339 C TRP A 24 -2.416 18.123 0.814 1.00 0.00 C ATOM 340 O TRP A 24 -2.745 18.942 -0.042 1.00 0.00 O ATOM 341 CB TRP A 24 -4.351 17.220 2.210 1.00 0.00 C ATOM 342 CG TRP A 24 -4.952 17.038 3.606 1.00 0.00 C ATOM 343 CD1 TRP A 24 -4.949 17.908 4.625 1.00 0.00 C ATOM 344 CD2 TRP A 24 -5.648 15.873 4.097 1.00 0.00 C ATOM 345 NE1 TRP A 24 -5.589 17.392 5.733 1.00 0.00 N ATOM 346 CE2 TRP A 24 -6.028 16.115 5.402 1.00 0.00 C ATOM 347 CE3 TRP A 24 -5.947 14.656 3.461 1.00 0.00 C ATOM 348 CZ2 TRP A 24 -6.728 15.186 6.181 1.00 0.00 C ATOM 349 CZ3 TRP A 24 -6.646 13.738 4.253 1.00 0.00 C ATOM 350 CH2 TRP A 24 -7.036 13.966 5.568 1.00 0.00 C ATOM 0 H TRP A 24 -4.408 19.629 2.795 1.00 0.00 H new ATOM 0 HA TRP A 24 -2.421 17.674 2.910 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -5.107 17.651 1.553 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -4.097 16.241 1.804 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -4.502 18.890 4.584 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -5.717 17.861 6.630 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -5.660 14.446 2.441 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -7.015 15.399 7.200 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -6.900 12.786 3.812 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -7.574 13.205 6.114 1.00 0.00 H new ATOM 361 N LYS A 25 -1.472 17.207 0.652 1.00 0.00 N ATOM 362 CA LYS A 25 -0.734 17.106 -0.595 1.00 0.00 C ATOM 363 C LYS A 25 -1.308 15.960 -1.431 1.00 0.00 C ATOM 364 O LYS A 25 -1.724 14.938 -0.887 1.00 0.00 O ATOM 365 CB LYS A 25 0.766 16.975 -0.321 1.00 0.00 C ATOM 366 CG LYS A 25 1.401 18.346 -0.080 1.00 0.00 C ATOM 367 CD LYS A 25 1.601 19.096 -1.398 1.00 0.00 C ATOM 368 CE LYS A 25 0.989 20.497 -1.330 1.00 0.00 C ATOM 369 NZ LYS A 25 -0.279 20.545 -2.094 1.00 0.00 N ATOM 0 H LYS A 25 -1.202 16.528 1.364 1.00 0.00 H new ATOM 0 HA LYS A 25 -0.850 18.018 -1.181 1.00 0.00 H new ATOM 0 HB2 LYS A 25 0.926 16.338 0.549 1.00 0.00 H new ATOM 0 HB3 LYS A 25 1.253 16.488 -1.166 1.00 0.00 H new ATOM 0 HG2 LYS A 25 0.767 18.933 0.584 1.00 0.00 H new ATOM 0 HG3 LYS A 25 2.361 18.223 0.422 1.00 0.00 H new ATOM 0 HD2 LYS A 25 2.666 19.171 -1.620 1.00 0.00 H new ATOM 0 HD3 LYS A 25 1.144 18.535 -2.213 1.00 0.00 H new ATOM 0 HE2 LYS A 25 0.805 20.770 -0.291 1.00 0.00 H new ATOM 0 HE3 LYS A 25 1.691 21.227 -1.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -0.506 21.533 -2.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -0.177 19.996 -2.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -1.046 20.140 -1.520 1.00 0.00 H new ATOM 383 N ALA A 26 -1.313 16.169 -2.739 1.00 0.00 N ATOM 384 CA ALA A 26 -1.830 15.167 -3.656 1.00 0.00 C ATOM 385 C ALA A 26 -0.673 14.579 -4.466 1.00 0.00 C ATOM 386 O ALA A 26 0.076 15.313 -5.108 1.00 0.00 O ATOM 387 CB ALA A 26 -2.905 15.794 -4.545 1.00 0.00 C ATOM 0 H ALA A 26 -0.967 17.018 -3.186 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.298 14.349 -3.107 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -3.292 15.042 -5.233 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -3.717 16.170 -3.923 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -2.472 16.617 -5.114 1.00 0.00 H new ATOM 393 N ARG A 27 -0.565 13.259 -4.410 1.00 0.00 N ATOM 394 CA ARG A 27 0.488 12.564 -5.131 1.00 0.00 C ATOM 395 C ARG A 27 -0.036 11.239 -5.689 1.00 0.00 C ATOM 396 O ARG A 27 -1.071 10.742 -5.247 1.00 0.00 O ATOM 397 CB ARG A 27 1.688 12.288 -4.223 1.00 0.00 C ATOM 398 CG ARG A 27 2.971 12.871 -4.818 1.00 0.00 C ATOM 399 CD ARG A 27 4.067 12.982 -3.755 1.00 0.00 C ATOM 400 NE ARG A 27 4.940 14.140 -4.049 1.00 0.00 N ATOM 401 CZ ARG A 27 4.629 15.410 -3.756 1.00 0.00 C ATOM 402 NH1 ARG A 27 3.463 15.693 -3.159 1.00 0.00 N ATOM 403 NH2 ARG A 27 5.483 16.397 -4.059 1.00 0.00 N ATOM 0 H ARG A 27 -1.189 12.653 -3.877 1.00 0.00 H new ATOM 0 HA ARG A 27 0.808 13.207 -5.951 1.00 0.00 H new ATOM 0 HB2 ARG A 27 1.510 12.720 -3.238 1.00 0.00 H new ATOM 0 HB3 ARG A 27 1.803 11.213 -4.083 1.00 0.00 H new ATOM 0 HG2 ARG A 27 3.316 12.240 -5.637 1.00 0.00 H new ATOM 0 HG3 ARG A 27 2.766 13.855 -5.239 1.00 0.00 H new ATOM 0 HD2 ARG A 27 3.618 13.095 -2.768 1.00 0.00 H new ATOM 0 HD3 ARG A 27 4.658 12.066 -3.733 1.00 0.00 H new ATOM 0 HE ARG A 27 5.835 13.960 -4.503 1.00 0.00 H new ATOM 0 HH11 ARG A 27 2.813 14.942 -2.928 1.00 0.00 H new ATOM 0 HH12 ARG A 27 3.226 16.660 -2.936 1.00 0.00 H new ATOM 0 HH21 ARG A 27 6.371 16.182 -4.513 1.00 0.00 H new ATOM 0 HH22 ARG A 27 5.245 17.363 -3.836 1.00 0.00 H new ATOM 417 N TRP A 28 0.701 10.706 -6.651 1.00 0.00 N ATOM 418 CA TRP A 28 0.324 9.448 -7.274 1.00 0.00 C ATOM 419 C TRP A 28 0.897 8.310 -6.427 1.00 0.00 C ATOM 420 O TRP A 28 2.109 8.224 -6.235 1.00 0.00 O ATOM 421 CB TRP A 28 0.784 9.399 -8.732 1.00 0.00 C ATOM 422 CG TRP A 28 0.272 8.182 -9.505 1.00 0.00 C ATOM 423 CD1 TRP A 28 0.943 7.068 -9.829 1.00 0.00 C ATOM 424 CD2 TRP A 28 -1.056 8.000 -10.041 1.00 0.00 C ATOM 425 NE1 TRP A 28 0.148 6.185 -10.532 1.00 0.00 N ATOM 426 CE2 TRP A 28 -1.106 6.770 -10.665 1.00 0.00 C ATOM 427 CE3 TRP A 28 -2.177 8.847 -10.000 1.00 0.00 C ATOM 428 CZ2 TRP A 28 -2.254 6.276 -11.295 1.00 0.00 C ATOM 429 CZ3 TRP A 28 -3.317 8.338 -10.634 1.00 0.00 C ATOM 430 CH2 TRP A 28 -3.384 7.102 -11.267 1.00 0.00 C ATOM 0 H TRP A 28 1.558 11.122 -7.015 1.00 0.00 H new ATOM 0 HA TRP A 28 -0.761 9.344 -7.308 1.00 0.00 H new ATOM 0 HB2 TRP A 28 0.450 10.305 -9.238 1.00 0.00 H new ATOM 0 HB3 TRP A 28 1.874 9.402 -8.759 1.00 0.00 H new ATOM 0 HD1 TRP A 28 1.976 6.884 -9.572 1.00 0.00 H new ATOM 0 HE1 TRP A 28 0.429 5.271 -10.888 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -2.160 9.813 -9.518 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -2.267 5.310 -11.777 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -4.208 8.949 -10.631 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -4.303 6.781 -11.735 1.00 0.00 H new ATOM 441 N PHE A 29 -0.002 7.466 -5.942 1.00 0.00 N ATOM 442 CA PHE A 29 0.399 6.337 -5.120 1.00 0.00 C ATOM 443 C PHE A 29 0.241 5.020 -5.882 1.00 0.00 C ATOM 444 O PHE A 29 -0.378 4.984 -6.944 1.00 0.00 O ATOM 445 CB PHE A 29 -0.524 6.321 -3.901 1.00 0.00 C ATOM 446 CG PHE A 29 -0.061 7.226 -2.757 1.00 0.00 C ATOM 447 CD1 PHE A 29 0.571 8.398 -3.031 1.00 0.00 C ATOM 448 CD2 PHE A 29 -0.282 6.857 -1.467 1.00 0.00 C ATOM 449 CE1 PHE A 29 1.001 9.238 -1.970 1.00 0.00 C ATOM 450 CE2 PHE A 29 0.148 7.697 -0.405 1.00 0.00 C ATOM 451 CZ PHE A 29 0.780 8.870 -0.679 1.00 0.00 C ATOM 0 H PHE A 29 -1.006 7.541 -6.103 1.00 0.00 H new ATOM 0 HA PHE A 29 1.446 6.438 -4.836 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.523 6.627 -4.211 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.604 5.298 -3.532 1.00 0.00 H new ATOM 0 HD1 PHE A 29 0.746 8.690 -4.056 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.784 5.926 -1.250 1.00 0.00 H new ATOM 0 HE1 PHE A 29 1.503 10.169 -2.188 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.027 7.404 0.620 1.00 0.00 H new ATOM 0 HZ PHE A 29 1.106 9.509 0.128 1.00 0.00 H new ATOM 461 N VAL A 30 0.812 3.970 -5.311 1.00 0.00 N ATOM 462 CA VAL A 30 0.742 2.654 -5.923 1.00 0.00 C ATOM 463 C VAL A 30 0.376 1.619 -4.857 1.00 0.00 C ATOM 464 O VAL A 30 0.928 1.632 -3.759 1.00 0.00 O ATOM 465 CB VAL A 30 2.059 2.338 -6.636 1.00 0.00 C ATOM 466 CG1 VAL A 30 2.050 0.914 -7.197 1.00 0.00 C ATOM 467 CG2 VAL A 30 2.345 3.360 -7.738 1.00 0.00 C ATOM 0 H VAL A 30 1.326 4.004 -4.430 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.039 2.627 -6.683 1.00 0.00 H new ATOM 0 HB VAL A 30 2.862 2.404 -5.902 1.00 0.00 H new ATOM 0 HG11 VAL A 30 2.997 0.715 -7.699 1.00 0.00 H new ATOM 0 HG12 VAL A 30 1.914 0.203 -6.382 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.232 0.809 -7.910 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.286 3.112 -8.229 1.00 0.00 H new ATOM 0 HG22 VAL A 30 1.538 3.341 -8.470 1.00 0.00 H new ATOM 0 HG23 VAL A 30 2.415 4.356 -7.301 1.00 0.00 H new ATOM 477 N LEU A 31 -0.554 0.747 -5.220 1.00 0.00 N ATOM 478 CA LEU A 31 -1.001 -0.292 -4.308 1.00 0.00 C ATOM 479 C LEU A 31 -0.458 -1.644 -4.777 1.00 0.00 C ATOM 480 O LEU A 31 -1.146 -2.384 -5.478 1.00 0.00 O ATOM 481 CB LEU A 31 -2.524 -0.259 -4.162 1.00 0.00 C ATOM 482 CG LEU A 31 -3.075 -0.668 -2.795 1.00 0.00 C ATOM 483 CD1 LEU A 31 -3.478 -2.144 -2.786 1.00 0.00 C ATOM 484 CD2 LEU A 31 -2.080 -0.339 -1.681 1.00 0.00 C ATOM 0 H LEU A 31 -1.010 0.739 -6.133 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.604 -0.117 -3.308 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.869 0.751 -4.383 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -2.956 -0.916 -4.917 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.977 -0.086 -2.603 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.866 -2.409 -1.803 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.248 -2.316 -3.539 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.607 -2.760 -3.010 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.497 -0.640 -0.720 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.147 -0.875 -1.856 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.885 0.733 -1.672 1.00 0.00 H new ATOM 496 N ASP A 32 0.772 -1.924 -4.372 1.00 0.00 N ATOM 497 CA ASP A 32 1.415 -3.173 -4.742 1.00 0.00 C ATOM 498 C ASP A 32 0.794 -4.319 -3.941 1.00 0.00 C ATOM 499 O ASP A 32 0.445 -4.147 -2.774 1.00 0.00 O ATOM 500 CB ASP A 32 2.913 -3.135 -4.430 1.00 0.00 C ATOM 501 CG ASP A 32 3.563 -4.503 -4.217 1.00 0.00 C ATOM 502 OD1 ASP A 32 3.227 -5.420 -4.997 1.00 0.00 O ATOM 503 OD2 ASP A 32 4.383 -4.602 -3.277 1.00 0.00 O ATOM 0 H ASP A 32 1.340 -1.307 -3.791 1.00 0.00 H new ATOM 0 HA ASP A 32 1.273 -3.321 -5.813 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.426 -2.629 -5.247 1.00 0.00 H new ATOM 0 HB3 ASP A 32 3.067 -2.533 -3.535 1.00 0.00 H new ATOM 508 N LYS A 33 0.675 -5.462 -4.600 1.00 0.00 N ATOM 509 CA LYS A 33 0.102 -6.636 -3.963 1.00 0.00 C ATOM 510 C LYS A 33 1.132 -7.767 -3.965 1.00 0.00 C ATOM 511 O LYS A 33 1.267 -8.491 -2.980 1.00 0.00 O ATOM 512 CB LYS A 33 -1.224 -7.012 -4.628 1.00 0.00 C ATOM 513 CG LYS A 33 -1.136 -6.867 -6.148 1.00 0.00 C ATOM 514 CD LYS A 33 -1.970 -7.940 -6.851 1.00 0.00 C ATOM 515 CE LYS A 33 -1.544 -9.342 -6.409 1.00 0.00 C ATOM 516 NZ LYS A 33 -1.858 -10.335 -7.460 1.00 0.00 N ATOM 0 H LYS A 33 0.965 -5.600 -5.568 1.00 0.00 H new ATOM 0 HA LYS A 33 -0.138 -6.425 -2.921 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -1.485 -8.039 -4.372 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -2.021 -6.375 -4.244 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -1.486 -5.878 -6.443 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -0.096 -6.945 -6.465 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -3.026 -7.789 -6.627 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -1.856 -7.845 -7.931 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -0.475 -9.354 -6.197 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -2.055 -9.609 -5.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -1.971 -11.274 -7.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -2.741 -10.066 -7.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -1.083 -10.364 -8.153 1.00 0.00 H new ATOM 530 N THR A 34 1.834 -7.883 -5.083 1.00 0.00 N ATOM 531 CA THR A 34 2.849 -8.913 -5.226 1.00 0.00 C ATOM 532 C THR A 34 3.829 -8.862 -4.053 1.00 0.00 C ATOM 533 O THR A 34 4.213 -9.900 -3.515 1.00 0.00 O ATOM 534 CB THR A 34 3.521 -8.729 -6.588 1.00 0.00 C ATOM 535 OG1 THR A 34 4.191 -7.476 -6.478 1.00 0.00 O ATOM 536 CG2 THR A 34 2.509 -8.513 -7.716 1.00 0.00 C ATOM 0 H THR A 34 1.720 -7.281 -5.898 1.00 0.00 H new ATOM 0 HA THR A 34 2.408 -9.909 -5.197 1.00 0.00 H new ATOM 0 HB THR A 34 4.133 -9.603 -6.812 1.00 0.00 H new ATOM 0 HG1 THR A 34 3.615 -6.838 -6.007 1.00 0.00 H new ATOM 0 HG21 THR A 34 3.038 -8.388 -8.661 1.00 0.00 H new ATOM 0 HG22 THR A 34 1.848 -9.377 -7.782 1.00 0.00 H new ATOM 0 HG23 THR A 34 1.919 -7.620 -7.510 1.00 0.00 H new ATOM 544 N LYS A 35 4.207 -7.645 -3.691 1.00 0.00 N ATOM 545 CA LYS A 35 5.136 -7.445 -2.592 1.00 0.00 C ATOM 546 C LYS A 35 4.438 -6.664 -1.476 1.00 0.00 C ATOM 547 O LYS A 35 5.070 -6.281 -0.493 1.00 0.00 O ATOM 548 CB LYS A 35 6.424 -6.787 -3.091 1.00 0.00 C ATOM 549 CG LYS A 35 7.181 -7.716 -4.042 1.00 0.00 C ATOM 550 CD LYS A 35 8.611 -7.955 -3.552 1.00 0.00 C ATOM 551 CE LYS A 35 9.338 -8.957 -4.452 1.00 0.00 C ATOM 552 NZ LYS A 35 10.640 -9.336 -3.859 1.00 0.00 N ATOM 0 H LYS A 35 3.886 -6.787 -4.140 1.00 0.00 H new ATOM 0 HA LYS A 35 5.439 -8.403 -2.170 1.00 0.00 H new ATOM 0 HB2 LYS A 35 6.186 -5.854 -3.601 1.00 0.00 H new ATOM 0 HB3 LYS A 35 7.059 -6.533 -2.242 1.00 0.00 H new ATOM 0 HG2 LYS A 35 6.656 -8.668 -4.121 1.00 0.00 H new ATOM 0 HG3 LYS A 35 7.203 -7.280 -5.041 1.00 0.00 H new ATOM 0 HD2 LYS A 35 9.157 -7.012 -3.537 1.00 0.00 H new ATOM 0 HD3 LYS A 35 8.591 -8.328 -2.528 1.00 0.00 H new ATOM 0 HE2 LYS A 35 8.722 -9.846 -4.589 1.00 0.00 H new ATOM 0 HE3 LYS A 35 9.494 -8.522 -5.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 11.120 -10.016 -4.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 11.232 -8.488 -3.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 10.484 -9.771 -2.927 1.00 0.00 H new ATOM 566 N HIS A 36 3.145 -6.451 -1.667 1.00 0.00 N ATOM 567 CA HIS A 36 2.354 -5.722 -0.689 1.00 0.00 C ATOM 568 C HIS A 36 3.161 -4.534 -0.160 1.00 0.00 C ATOM 569 O HIS A 36 3.860 -4.652 0.846 1.00 0.00 O ATOM 570 CB HIS A 36 1.873 -6.655 0.424 1.00 0.00 C ATOM 571 CG HIS A 36 2.710 -7.901 0.587 1.00 0.00 C ATOM 572 ND1 HIS A 36 3.981 -8.066 1.053 1.00 0.00 N flip ATOM 573 CD2 HIS A 36 2.251 -9.162 0.250 1.00 0.00 C flip ATOM 574 CE1 HIS A 36 4.282 -9.358 1.004 1.00 0.00 C flip ATOM 575 NE2 HIS A 36 3.210 -10.039 0.506 1.00 0.00 N flip ATOM 0 H HIS A 36 2.625 -6.770 -2.484 1.00 0.00 H new ATOM 0 HA HIS A 36 1.457 -5.325 -1.164 1.00 0.00 H new ATOM 0 HB2 HIS A 36 1.869 -6.107 1.366 1.00 0.00 H new ATOM 0 HB3 HIS A 36 0.843 -6.946 0.220 1.00 0.00 H new ATOM 0 HD1 HIS A 36 4.596 -7.323 1.383 1.00 0.00 H new ATOM 0 HD2 HIS A 36 1.276 -9.392 -0.153 1.00 0.00 H new ATOM 0 HE1 HIS A 36 5.221 -9.797 1.308 1.00 0.00 H new ATOM 583 N GLN A 37 3.037 -3.417 -0.861 1.00 0.00 N ATOM 584 CA GLN A 37 3.746 -2.209 -0.474 1.00 0.00 C ATOM 585 C GLN A 37 3.034 -0.975 -1.031 1.00 0.00 C ATOM 586 O GLN A 37 2.146 -1.093 -1.874 1.00 0.00 O ATOM 587 CB GLN A 37 5.204 -2.256 -0.937 1.00 0.00 C ATOM 588 CG GLN A 37 6.010 -3.257 -0.108 1.00 0.00 C ATOM 589 CD GLN A 37 7.490 -2.871 -0.069 1.00 0.00 C ATOM 590 OE1 GLN A 37 8.059 -2.597 0.975 1.00 0.00 O ATOM 591 NE2 GLN A 37 8.079 -2.864 -1.261 1.00 0.00 N ATOM 0 H GLN A 37 2.456 -3.323 -1.694 1.00 0.00 H new ATOM 0 HA GLN A 37 3.747 -2.145 0.614 1.00 0.00 H new ATOM 0 HB2 GLN A 37 5.246 -2.533 -1.990 1.00 0.00 H new ATOM 0 HB3 GLN A 37 5.649 -1.265 -0.850 1.00 0.00 H new ATOM 0 HG2 GLN A 37 5.614 -3.296 0.907 1.00 0.00 H new ATOM 0 HG3 GLN A 37 5.902 -4.256 -0.531 1.00 0.00 H new ATOM 0 HE21 GLN A 37 7.544 -3.104 -2.096 1.00 0.00 H new ATOM 0 HE22 GLN A 37 9.066 -2.619 -1.341 1.00 0.00 H new ATOM 600 N LEU A 38 3.450 0.182 -0.537 1.00 0.00 N ATOM 601 CA LEU A 38 2.862 1.437 -0.975 1.00 0.00 C ATOM 602 C LEU A 38 3.953 2.320 -1.585 1.00 0.00 C ATOM 603 O LEU A 38 4.782 2.875 -0.866 1.00 0.00 O ATOM 604 CB LEU A 38 2.104 2.104 0.175 1.00 0.00 C ATOM 605 CG LEU A 38 0.783 2.781 -0.197 1.00 0.00 C ATOM 606 CD1 LEU A 38 -0.286 2.517 0.865 1.00 0.00 C ATOM 607 CD2 LEU A 38 0.986 4.277 -0.447 1.00 0.00 C ATOM 0 H LEU A 38 4.187 0.277 0.162 1.00 0.00 H new ATOM 0 HA LEU A 38 2.121 1.259 -1.754 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.902 1.350 0.936 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.756 2.850 0.630 1.00 0.00 H new ATOM 0 HG LEU A 38 0.425 2.344 -1.129 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.215 3.009 0.576 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.456 1.444 0.952 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.050 2.910 1.825 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.032 4.735 -0.710 1.00 0.00 H new ATOM 0 HD22 LEU A 38 1.378 4.747 0.455 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.693 4.417 -1.265 1.00 0.00 H new ATOM 619 N ARG A 39 3.916 2.423 -2.906 1.00 0.00 N ATOM 620 CA ARG A 39 4.891 3.228 -3.621 1.00 0.00 C ATOM 621 C ARG A 39 4.220 4.468 -4.217 1.00 0.00 C ATOM 622 O ARG A 39 3.257 4.354 -4.973 1.00 0.00 O ATOM 623 CB ARG A 39 5.552 2.426 -4.744 1.00 0.00 C ATOM 624 CG ARG A 39 6.456 1.330 -4.175 1.00 0.00 C ATOM 625 CD ARG A 39 6.800 0.293 -5.246 1.00 0.00 C ATOM 626 NE ARG A 39 8.189 -0.184 -5.061 1.00 0.00 N ATOM 627 CZ ARG A 39 8.731 -1.202 -5.743 1.00 0.00 C ATOM 628 NH1 ARG A 39 8.004 -1.858 -6.658 1.00 0.00 N ATOM 629 NH2 ARG A 39 9.999 -1.566 -5.509 1.00 0.00 N ATOM 0 H ARG A 39 3.226 1.962 -3.499 1.00 0.00 H new ATOM 0 HA ARG A 39 5.657 3.531 -2.907 1.00 0.00 H new ATOM 0 HB2 ARG A 39 4.785 1.978 -5.376 1.00 0.00 H new ATOM 0 HB3 ARG A 39 6.137 3.093 -5.377 1.00 0.00 H new ATOM 0 HG2 ARG A 39 7.372 1.775 -3.786 1.00 0.00 H new ATOM 0 HG3 ARG A 39 5.958 0.842 -3.337 1.00 0.00 H new ATOM 0 HD2 ARG A 39 6.107 -0.547 -5.187 1.00 0.00 H new ATOM 0 HD3 ARG A 39 6.686 0.731 -6.238 1.00 0.00 H new ATOM 0 HE ARG A 39 8.770 0.292 -4.371 1.00 0.00 H new ATOM 0 HH11 ARG A 39 7.038 -1.582 -6.835 1.00 0.00 H new ATOM 0 HH12 ARG A 39 8.417 -2.633 -7.177 1.00 0.00 H new ATOM 0 HH21 ARG A 39 10.552 -1.068 -4.811 1.00 0.00 H new ATOM 0 HH22 ARG A 39 10.411 -2.341 -6.028 1.00 0.00 H new ATOM 643 N TYR A 40 4.756 5.624 -3.852 1.00 0.00 N ATOM 644 CA TYR A 40 4.221 6.883 -4.341 1.00 0.00 C ATOM 645 C TYR A 40 5.313 7.718 -5.014 1.00 0.00 C ATOM 646 O TYR A 40 6.430 7.810 -4.507 1.00 0.00 O ATOM 647 CB TYR A 40 3.711 7.632 -3.108 1.00 0.00 C ATOM 648 CG TYR A 40 4.811 8.025 -2.119 1.00 0.00 C ATOM 649 CD1 TYR A 40 5.245 7.118 -1.174 1.00 0.00 C ATOM 650 CD2 TYR A 40 5.369 9.286 -2.173 1.00 0.00 C ATOM 651 CE1 TYR A 40 6.280 7.488 -0.243 1.00 0.00 C ATOM 652 CE2 TYR A 40 6.404 9.655 -1.242 1.00 0.00 C ATOM 653 CZ TYR A 40 6.808 8.738 -0.323 1.00 0.00 C ATOM 654 OH TYR A 40 7.786 9.087 0.555 1.00 0.00 O ATOM 0 H TYR A 40 5.555 5.715 -3.224 1.00 0.00 H new ATOM 0 HA TYR A 40 3.437 6.707 -5.077 1.00 0.00 H new ATOM 0 HB2 TYR A 40 3.190 8.533 -3.433 1.00 0.00 H new ATOM 0 HB3 TYR A 40 2.980 7.008 -2.593 1.00 0.00 H new ATOM 0 HD1 TYR A 40 4.809 6.131 -1.132 1.00 0.00 H new ATOM 0 HD2 TYR A 40 5.030 9.996 -2.913 1.00 0.00 H new ATOM 0 HE1 TYR A 40 6.629 6.788 0.502 1.00 0.00 H new ATOM 0 HE2 TYR A 40 6.849 10.638 -1.273 1.00 0.00 H new ATOM 0 HH TYR A 40 8.663 8.891 0.163 1.00 0.00 H new ATOM 664 N TYR A 41 4.951 8.305 -6.145 1.00 0.00 N ATOM 665 CA TYR A 41 5.886 9.129 -6.893 1.00 0.00 C ATOM 666 C TYR A 41 5.297 10.513 -7.170 1.00 0.00 C ATOM 667 O TYR A 41 4.091 10.717 -7.033 1.00 0.00 O ATOM 668 CB TYR A 41 6.112 8.408 -8.224 1.00 0.00 C ATOM 669 CG TYR A 41 6.499 6.935 -8.076 1.00 0.00 C ATOM 670 CD1 TYR A 41 5.561 6.015 -7.656 1.00 0.00 C ATOM 671 CD2 TYR A 41 7.786 6.528 -8.364 1.00 0.00 C ATOM 672 CE1 TYR A 41 5.925 4.628 -7.517 1.00 0.00 C ATOM 673 CE2 TYR A 41 8.150 5.141 -8.225 1.00 0.00 C ATOM 674 CZ TYR A 41 7.201 4.260 -7.808 1.00 0.00 C ATOM 675 OH TYR A 41 7.545 2.951 -7.677 1.00 0.00 O ATOM 0 H TYR A 41 4.023 8.227 -6.562 1.00 0.00 H new ATOM 0 HA TYR A 41 6.809 9.269 -6.331 1.00 0.00 H new ATOM 0 HB2 TYR A 41 5.203 8.476 -8.821 1.00 0.00 H new ATOM 0 HB3 TYR A 41 6.896 8.925 -8.777 1.00 0.00 H new ATOM 0 HD1 TYR A 41 4.554 6.334 -7.431 1.00 0.00 H new ATOM 0 HD2 TYR A 41 8.520 7.249 -8.693 1.00 0.00 H new ATOM 0 HE1 TYR A 41 5.201 3.897 -7.189 1.00 0.00 H new ATOM 0 HE2 TYR A 41 9.153 4.808 -8.447 1.00 0.00 H new ATOM 0 HH TYR A 41 7.991 2.815 -6.815 1.00 0.00 H new ATOM 685 N ASP A 42 6.174 11.429 -7.555 1.00 0.00 N ATOM 686 CA ASP A 42 5.755 12.788 -7.852 1.00 0.00 C ATOM 687 C ASP A 42 5.056 12.815 -9.213 1.00 0.00 C ATOM 688 O ASP A 42 4.056 13.511 -9.386 1.00 0.00 O ATOM 689 CB ASP A 42 6.958 13.732 -7.919 1.00 0.00 C ATOM 690 CG ASP A 42 6.655 15.126 -8.474 1.00 0.00 C ATOM 691 OD1 ASP A 42 6.206 15.971 -7.670 1.00 0.00 O ATOM 692 OD2 ASP A 42 6.879 15.314 -9.689 1.00 0.00 O ATOM 0 H ASP A 42 7.173 11.256 -7.668 1.00 0.00 H new ATOM 0 HA ASP A 42 5.083 13.116 -7.059 1.00 0.00 H new ATOM 0 HB2 ASP A 42 7.374 13.839 -6.917 1.00 0.00 H new ATOM 0 HB3 ASP A 42 7.729 13.271 -8.537 1.00 0.00 H new ATOM 697 N HIS A 43 5.609 12.051 -10.142 1.00 0.00 N ATOM 698 CA HIS A 43 5.051 11.979 -11.482 1.00 0.00 C ATOM 699 C HIS A 43 4.745 10.521 -11.833 1.00 0.00 C ATOM 700 O HIS A 43 5.325 9.605 -11.253 1.00 0.00 O ATOM 701 CB HIS A 43 5.981 12.650 -12.495 1.00 0.00 C ATOM 702 CG HIS A 43 5.314 13.719 -13.327 1.00 0.00 C ATOM 703 ND1 HIS A 43 5.484 13.818 -14.697 1.00 0.00 N ATOM 704 CD2 HIS A 43 4.473 14.732 -12.969 1.00 0.00 C ATOM 705 CE1 HIS A 43 4.775 14.849 -15.133 1.00 0.00 C ATOM 706 NE2 HIS A 43 4.150 15.414 -14.060 1.00 0.00 N ATOM 0 H HIS A 43 6.438 11.476 -9.994 1.00 0.00 H new ATOM 0 HA HIS A 43 4.111 12.530 -11.518 1.00 0.00 H new ATOM 0 HB2 HIS A 43 6.823 13.091 -11.963 1.00 0.00 H new ATOM 0 HB3 HIS A 43 6.388 11.888 -13.160 1.00 0.00 H new ATOM 0 HD2 HIS A 43 4.129 14.943 -11.967 1.00 0.00 H new ATOM 0 HE1 HIS A 43 4.704 15.183 -16.158 1.00 0.00 H new ATOM 0 HE2 HIS A 43 3.535 16.227 -14.091 1.00 0.00 H new ATOM 714 N ARG A 44 3.835 10.353 -12.780 1.00 0.00 N ATOM 715 CA ARG A 44 3.445 9.023 -13.215 1.00 0.00 C ATOM 716 C ARG A 44 4.552 8.396 -14.066 1.00 0.00 C ATOM 717 O ARG A 44 4.971 7.268 -13.812 1.00 0.00 O ATOM 718 CB ARG A 44 2.149 9.067 -14.029 1.00 0.00 C ATOM 719 CG ARG A 44 1.085 8.155 -13.415 1.00 0.00 C ATOM 720 CD ARG A 44 -0.305 8.493 -13.957 1.00 0.00 C ATOM 721 NE ARG A 44 -0.398 8.111 -15.384 1.00 0.00 N ATOM 722 CZ ARG A 44 -0.494 6.847 -15.819 1.00 0.00 C ATOM 723 NH1 ARG A 44 -0.510 5.836 -14.940 1.00 0.00 N ATOM 724 NH2 ARG A 44 -0.573 6.595 -17.133 1.00 0.00 N ATOM 0 H ARG A 44 3.356 11.116 -13.259 1.00 0.00 H new ATOM 0 HA ARG A 44 3.281 8.418 -12.323 1.00 0.00 H new ATOM 0 HB2 ARG A 44 1.776 10.090 -14.071 1.00 0.00 H new ATOM 0 HB3 ARG A 44 2.349 8.759 -15.055 1.00 0.00 H new ATOM 0 HG2 ARG A 44 1.322 7.114 -13.635 1.00 0.00 H new ATOM 0 HG3 ARG A 44 1.092 8.261 -12.330 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -1.067 7.968 -13.381 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -0.499 9.560 -13.844 1.00 0.00 H new ATOM 0 HE ARG A 44 -0.388 8.857 -16.080 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -0.449 6.028 -13.940 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -0.583 4.874 -15.271 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -0.560 7.365 -17.802 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -0.646 5.633 -17.464 1.00 0.00 H new ATOM 738 N MET A 45 4.993 9.156 -15.058 1.00 0.00 N ATOM 739 CA MET A 45 6.043 8.689 -15.947 1.00 0.00 C ATOM 740 C MET A 45 7.424 8.910 -15.327 1.00 0.00 C ATOM 741 O MET A 45 8.301 9.505 -15.952 1.00 0.00 O ATOM 742 CB MET A 45 5.955 9.439 -17.278 1.00 0.00 C ATOM 743 CG MET A 45 6.181 10.939 -17.079 1.00 0.00 C ATOM 744 SD MET A 45 7.065 11.613 -18.476 1.00 0.00 S ATOM 745 CE MET A 45 7.707 13.109 -17.743 1.00 0.00 C ATOM 0 H MET A 45 4.643 10.091 -15.265 1.00 0.00 H new ATOM 0 HA MET A 45 5.906 7.620 -16.112 1.00 0.00 H new ATOM 0 HB2 MET A 45 6.698 9.045 -17.971 1.00 0.00 H new ATOM 0 HB3 MET A 45 4.977 9.272 -17.730 1.00 0.00 H new ATOM 0 HG2 MET A 45 5.224 11.447 -16.964 1.00 0.00 H new ATOM 0 HG3 MET A 45 6.746 11.112 -16.163 1.00 0.00 H new ATOM 0 HE1 MET A 45 8.289 13.656 -18.484 1.00 0.00 H new ATOM 0 HE2 MET A 45 6.880 13.730 -17.401 1.00 0.00 H new ATOM 0 HE3 MET A 45 8.344 12.855 -16.896 1.00 0.00 H new ATOM 755 N ASP A 46 7.575 8.417 -14.107 1.00 0.00 N ATOM 756 CA ASP A 46 8.835 8.553 -13.396 1.00 0.00 C ATOM 757 C ASP A 46 9.426 7.164 -13.145 1.00 0.00 C ATOM 758 O ASP A 46 8.710 6.165 -13.183 1.00 0.00 O ATOM 759 CB ASP A 46 8.632 9.232 -12.040 1.00 0.00 C ATOM 760 CG ASP A 46 9.392 10.547 -11.855 1.00 0.00 C ATOM 761 OD1 ASP A 46 10.475 10.668 -12.469 1.00 0.00 O ATOM 762 OD2 ASP A 46 8.874 11.401 -11.104 1.00 0.00 O ATOM 0 H ASP A 46 6.846 7.923 -13.593 1.00 0.00 H new ATOM 0 HA ASP A 46 9.503 9.160 -14.007 1.00 0.00 H new ATOM 0 HB2 ASP A 46 7.568 9.422 -11.902 1.00 0.00 H new ATOM 0 HB3 ASP A 46 8.937 8.540 -11.255 1.00 0.00 H new ATOM 767 N THR A 47 10.727 7.146 -12.894 1.00 0.00 N ATOM 768 CA THR A 47 11.423 5.897 -12.637 1.00 0.00 C ATOM 769 C THR A 47 12.272 6.010 -11.369 1.00 0.00 C ATOM 770 O THR A 47 13.431 5.599 -11.355 1.00 0.00 O ATOM 771 CB THR A 47 12.236 5.544 -13.883 1.00 0.00 C ATOM 772 OG1 THR A 47 12.862 4.307 -13.551 1.00 0.00 O ATOM 773 CG2 THR A 47 13.406 6.503 -14.111 1.00 0.00 C ATOM 0 H THR A 47 11.317 7.977 -12.863 1.00 0.00 H new ATOM 0 HA THR A 47 10.721 5.085 -12.448 1.00 0.00 H new ATOM 0 HB THR A 47 11.583 5.554 -14.756 1.00 0.00 H new ATOM 0 HG1 THR A 47 13.386 4.416 -12.730 1.00 0.00 H new ATOM 0 HG21 THR A 47 13.950 6.207 -15.008 1.00 0.00 H new ATOM 0 HG22 THR A 47 13.026 7.517 -14.235 1.00 0.00 H new ATOM 0 HG23 THR A 47 14.077 6.469 -13.253 1.00 0.00 H new ATOM 781 N GLU A 48 11.661 6.569 -10.334 1.00 0.00 N ATOM 782 CA GLU A 48 12.347 6.742 -9.065 1.00 0.00 C ATOM 783 C GLU A 48 11.343 6.710 -7.911 1.00 0.00 C ATOM 784 O GLU A 48 10.501 7.599 -7.791 1.00 0.00 O ATOM 785 CB GLU A 48 13.157 8.039 -9.051 1.00 0.00 C ATOM 786 CG GLU A 48 14.642 7.762 -9.295 1.00 0.00 C ATOM 787 CD GLU A 48 15.517 8.805 -8.597 1.00 0.00 C ATOM 788 OE1 GLU A 48 15.196 10.004 -8.744 1.00 0.00 O ATOM 789 OE2 GLU A 48 16.486 8.379 -7.933 1.00 0.00 O ATOM 0 H GLU A 48 10.699 6.908 -10.349 1.00 0.00 H new ATOM 0 HA GLU A 48 13.046 5.915 -8.937 1.00 0.00 H new ATOM 0 HB2 GLU A 48 12.779 8.716 -9.817 1.00 0.00 H new ATOM 0 HB3 GLU A 48 13.030 8.541 -8.092 1.00 0.00 H new ATOM 0 HG2 GLU A 48 14.895 6.767 -8.929 1.00 0.00 H new ATOM 0 HG3 GLU A 48 14.846 7.769 -10.366 1.00 0.00 H new ATOM 796 N CYS A 49 11.465 5.677 -7.090 1.00 0.00 N ATOM 797 CA CYS A 49 10.578 5.518 -5.950 1.00 0.00 C ATOM 798 C CYS A 49 11.227 6.192 -4.740 1.00 0.00 C ATOM 799 O CYS A 49 12.376 5.907 -4.408 1.00 0.00 O ATOM 800 CB CYS A 49 10.261 4.045 -5.681 1.00 0.00 C ATOM 801 SG CYS A 49 8.672 3.900 -4.786 1.00 0.00 S ATOM 0 H CYS A 49 12.165 4.942 -7.192 1.00 0.00 H new ATOM 0 HA CYS A 49 9.621 5.995 -6.161 1.00 0.00 H new ATOM 0 HB2 CYS A 49 10.209 3.498 -6.622 1.00 0.00 H new ATOM 0 HB3 CYS A 49 11.061 3.594 -5.094 1.00 0.00 H new ATOM 0 HG CYS A 49 7.702 4.292 -5.558 1.00 0.00 H new ATOM 807 N LYS A 50 10.461 7.074 -4.113 1.00 0.00 N ATOM 808 CA LYS A 50 10.947 7.791 -2.946 1.00 0.00 C ATOM 809 C LYS A 50 10.049 7.476 -1.749 1.00 0.00 C ATOM 810 O LYS A 50 9.047 8.153 -1.525 1.00 0.00 O ATOM 811 CB LYS A 50 11.068 9.286 -3.248 1.00 0.00 C ATOM 812 CG LYS A 50 12.077 9.539 -4.371 1.00 0.00 C ATOM 813 CD LYS A 50 11.747 10.830 -5.123 1.00 0.00 C ATOM 814 CE LYS A 50 10.473 10.669 -5.955 1.00 0.00 C ATOM 815 NZ LYS A 50 10.788 10.722 -7.400 1.00 0.00 N ATOM 0 H LYS A 50 9.508 7.308 -4.391 1.00 0.00 H new ATOM 0 HA LYS A 50 11.952 7.460 -2.686 1.00 0.00 H new ATOM 0 HB2 LYS A 50 10.094 9.683 -3.533 1.00 0.00 H new ATOM 0 HB3 LYS A 50 11.378 9.818 -2.349 1.00 0.00 H new ATOM 0 HG2 LYS A 50 13.082 9.603 -3.954 1.00 0.00 H new ATOM 0 HG3 LYS A 50 12.073 8.698 -5.065 1.00 0.00 H new ATOM 0 HD2 LYS A 50 11.621 11.647 -4.412 1.00 0.00 H new ATOM 0 HD3 LYS A 50 12.579 11.099 -5.774 1.00 0.00 H new ATOM 0 HE2 LYS A 50 9.993 9.720 -5.716 1.00 0.00 H new ATOM 0 HE3 LYS A 50 9.764 11.457 -5.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 10.053 11.265 -7.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 11.710 11.183 -7.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 10.823 9.756 -7.783 1.00 0.00 H new ATOM 829 N GLY A 51 10.439 6.447 -1.011 1.00 0.00 N ATOM 830 CA GLY A 51 9.682 6.034 0.158 1.00 0.00 C ATOM 831 C GLY A 51 8.792 4.832 -0.162 1.00 0.00 C ATOM 832 O GLY A 51 8.246 4.733 -1.260 1.00 0.00 O ATOM 0 H GLY A 51 11.270 5.887 -1.200 1.00 0.00 H new ATOM 0 HA2 GLY A 51 10.366 5.779 0.967 1.00 0.00 H new ATOM 0 HA3 GLY A 51 9.067 6.863 0.509 1.00 0.00 H new ATOM 836 N VAL A 52 8.673 3.947 0.817 1.00 0.00 N ATOM 837 CA VAL A 52 7.858 2.755 0.653 1.00 0.00 C ATOM 838 C VAL A 52 7.117 2.465 1.960 1.00 0.00 C ATOM 839 O VAL A 52 7.626 2.751 3.043 1.00 0.00 O ATOM 840 CB VAL A 52 8.729 1.586 0.188 1.00 0.00 C ATOM 841 CG1 VAL A 52 8.097 0.246 0.569 1.00 0.00 C ATOM 842 CG2 VAL A 52 8.990 1.661 -1.317 1.00 0.00 C ATOM 0 H VAL A 52 9.127 4.031 1.726 1.00 0.00 H new ATOM 0 HA VAL A 52 7.105 2.910 -0.120 1.00 0.00 H new ATOM 0 HB VAL A 52 9.689 1.660 0.698 1.00 0.00 H new ATOM 0 HG11 VAL A 52 8.736 -0.568 0.227 1.00 0.00 H new ATOM 0 HG12 VAL A 52 7.987 0.190 1.652 1.00 0.00 H new ATOM 0 HG13 VAL A 52 7.117 0.159 0.100 1.00 0.00 H new ATOM 0 HG21 VAL A 52 9.611 0.819 -1.621 1.00 0.00 H new ATOM 0 HG22 VAL A 52 8.042 1.624 -1.853 1.00 0.00 H new ATOM 0 HG23 VAL A 52 9.503 2.594 -1.551 1.00 0.00 H new ATOM 852 N ILE A 53 5.927 1.902 1.816 1.00 0.00 N ATOM 853 CA ILE A 53 5.111 1.570 2.972 1.00 0.00 C ATOM 854 C ILE A 53 4.730 0.090 2.914 1.00 0.00 C ATOM 855 O ILE A 53 3.848 -0.299 2.150 1.00 0.00 O ATOM 856 CB ILE A 53 3.908 2.511 3.066 1.00 0.00 C ATOM 857 CG1 ILE A 53 4.250 3.895 2.509 1.00 0.00 C ATOM 858 CG2 ILE A 53 3.380 2.584 4.500 1.00 0.00 C ATOM 859 CD1 ILE A 53 3.017 4.801 2.498 1.00 0.00 C ATOM 0 H ILE A 53 5.508 1.667 0.916 1.00 0.00 H new ATOM 0 HA ILE A 53 5.676 1.718 3.892 1.00 0.00 H new ATOM 0 HB ILE A 53 3.107 2.105 2.449 1.00 0.00 H new ATOM 0 HG12 ILE A 53 5.035 4.350 3.113 1.00 0.00 H new ATOM 0 HG13 ILE A 53 4.643 3.797 1.497 1.00 0.00 H new ATOM 0 HG21 ILE A 53 2.525 3.259 4.539 1.00 0.00 H new ATOM 0 HG22 ILE A 53 3.072 1.590 4.826 1.00 0.00 H new ATOM 0 HG23 ILE A 53 4.166 2.955 5.159 1.00 0.00 H new ATOM 0 HD11 ILE A 53 3.287 5.778 2.098 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.243 4.355 1.874 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.641 4.917 3.515 1.00 0.00 H new ATOM 871 N ASP A 54 5.415 -0.697 3.732 1.00 0.00 N ATOM 872 CA ASP A 54 5.159 -2.126 3.783 1.00 0.00 C ATOM 873 C ASP A 54 3.742 -2.368 4.306 1.00 0.00 C ATOM 874 O ASP A 54 3.447 -2.085 5.466 1.00 0.00 O ATOM 875 CB ASP A 54 6.137 -2.827 4.728 1.00 0.00 C ATOM 876 CG ASP A 54 6.337 -4.320 4.462 1.00 0.00 C ATOM 877 OD1 ASP A 54 5.840 -4.780 3.411 1.00 0.00 O ATOM 878 OD2 ASP A 54 6.981 -4.968 5.315 1.00 0.00 O ATOM 0 H ASP A 54 6.146 -0.372 4.364 1.00 0.00 H new ATOM 0 HA ASP A 54 5.280 -2.526 2.776 1.00 0.00 H new ATOM 0 HB2 ASP A 54 7.104 -2.329 4.660 1.00 0.00 H new ATOM 0 HB3 ASP A 54 5.784 -2.700 5.751 1.00 0.00 H new ATOM 883 N LEU A 55 2.901 -2.889 3.424 1.00 0.00 N ATOM 884 CA LEU A 55 1.522 -3.172 3.782 1.00 0.00 C ATOM 885 C LEU A 55 1.491 -4.269 4.849 1.00 0.00 C ATOM 886 O LEU A 55 0.592 -4.298 5.688 1.00 0.00 O ATOM 887 CB LEU A 55 0.702 -3.506 2.534 1.00 0.00 C ATOM 888 CG LEU A 55 0.662 -2.427 1.450 1.00 0.00 C ATOM 889 CD1 LEU A 55 0.070 -2.977 0.150 1.00 0.00 C ATOM 890 CD2 LEU A 55 -0.085 -1.185 1.939 1.00 0.00 C ATOM 0 H LEU A 55 3.149 -3.122 2.462 1.00 0.00 H new ATOM 0 HA LEU A 55 1.053 -2.289 4.217 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.102 -4.420 2.095 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.321 -3.721 2.842 1.00 0.00 H new ATOM 0 HG LEU A 55 1.686 -2.122 1.234 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.053 -2.190 -0.604 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.681 -3.807 -0.206 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.946 -3.327 0.332 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.099 -0.434 1.149 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -1.108 -1.455 2.200 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.419 -0.780 2.817 1.00 0.00 H new ATOM 902 N ALA A 56 2.484 -5.143 4.782 1.00 0.00 N ATOM 903 CA ALA A 56 2.582 -6.239 5.732 1.00 0.00 C ATOM 904 C ALA A 56 2.825 -5.673 7.132 1.00 0.00 C ATOM 905 O ALA A 56 2.692 -6.387 8.125 1.00 0.00 O ATOM 906 CB ALA A 56 3.688 -7.200 5.291 1.00 0.00 C ATOM 0 H ALA A 56 3.228 -5.115 4.085 1.00 0.00 H new ATOM 0 HA ALA A 56 1.651 -6.806 5.762 1.00 0.00 H new ATOM 0 HB1 ALA A 56 3.761 -8.022 6.003 1.00 0.00 H new ATOM 0 HB2 ALA A 56 3.453 -7.596 4.303 1.00 0.00 H new ATOM 0 HB3 ALA A 56 4.638 -6.668 5.252 1.00 0.00 H new ATOM 912 N GLU A 57 3.177 -4.396 7.167 1.00 0.00 N ATOM 913 CA GLU A 57 3.440 -3.727 8.430 1.00 0.00 C ATOM 914 C GLU A 57 2.178 -3.019 8.928 1.00 0.00 C ATOM 915 O GLU A 57 2.053 -2.730 10.117 1.00 0.00 O ATOM 916 CB GLU A 57 4.604 -2.743 8.297 1.00 0.00 C ATOM 917 CG GLU A 57 5.943 -3.483 8.240 1.00 0.00 C ATOM 918 CD GLU A 57 6.444 -3.819 9.646 1.00 0.00 C ATOM 919 OE1 GLU A 57 6.919 -2.879 10.319 1.00 0.00 O ATOM 920 OE2 GLU A 57 6.341 -5.008 10.016 1.00 0.00 O ATOM 0 H GLU A 57 3.286 -3.807 6.341 1.00 0.00 H new ATOM 0 HA GLU A 57 3.725 -4.479 9.165 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.477 -2.143 7.396 1.00 0.00 H new ATOM 0 HB3 GLU A 57 4.601 -2.054 9.141 1.00 0.00 H new ATOM 0 HG2 GLU A 57 5.832 -4.400 7.661 1.00 0.00 H new ATOM 0 HG3 GLU A 57 6.681 -2.868 7.724 1.00 0.00 H new ATOM 927 N VAL A 58 1.276 -2.759 7.993 1.00 0.00 N ATOM 928 CA VAL A 58 0.028 -2.091 8.323 1.00 0.00 C ATOM 929 C VAL A 58 -0.750 -2.939 9.330 1.00 0.00 C ATOM 930 O VAL A 58 -0.953 -4.134 9.115 1.00 0.00 O ATOM 931 CB VAL A 58 -0.764 -1.802 7.046 1.00 0.00 C ATOM 932 CG1 VAL A 58 -2.174 -1.309 7.375 1.00 0.00 C ATOM 933 CG2 VAL A 58 -0.026 -0.798 6.158 1.00 0.00 C ATOM 0 H VAL A 58 1.384 -2.999 7.007 1.00 0.00 H new ATOM 0 HA VAL A 58 0.224 -1.128 8.794 1.00 0.00 H new ATOM 0 HB VAL A 58 -0.856 -2.736 6.491 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -2.715 -1.111 6.450 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.702 -2.071 7.948 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -2.111 -0.393 7.962 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -0.611 -0.610 5.257 1.00 0.00 H new ATOM 0 HG22 VAL A 58 0.112 0.136 6.702 1.00 0.00 H new ATOM 0 HG23 VAL A 58 0.947 -1.204 5.881 1.00 0.00 H new ATOM 943 N GLU A 59 -1.165 -2.290 10.407 1.00 0.00 N ATOM 944 CA GLU A 59 -1.917 -2.970 11.448 1.00 0.00 C ATOM 945 C GLU A 59 -3.411 -2.959 11.118 1.00 0.00 C ATOM 946 O GLU A 59 -4.131 -3.898 11.451 1.00 0.00 O ATOM 947 CB GLU A 59 -1.653 -2.338 12.817 1.00 0.00 C ATOM 948 CG GLU A 59 -0.273 -2.735 13.347 1.00 0.00 C ATOM 949 CD GLU A 59 0.070 -1.956 14.618 1.00 0.00 C ATOM 950 OE1 GLU A 59 0.293 -0.732 14.492 1.00 0.00 O ATOM 951 OE2 GLU A 59 0.101 -2.601 15.688 1.00 0.00 O ATOM 0 H GLU A 59 -0.995 -1.300 10.582 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.583 -4.007 11.492 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -1.718 -1.253 12.739 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -2.422 -2.654 13.522 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -0.253 -3.805 13.555 1.00 0.00 H new ATOM 0 HG3 GLU A 59 0.482 -2.545 12.584 1.00 0.00 H new ATOM 958 N ALA A 60 -3.832 -1.885 10.467 1.00 0.00 N ATOM 959 CA ALA A 60 -5.227 -1.739 10.088 1.00 0.00 C ATOM 960 C ALA A 60 -5.485 -0.294 9.654 1.00 0.00 C ATOM 961 O ALA A 60 -4.637 0.576 9.846 1.00 0.00 O ATOM 962 CB ALA A 60 -6.120 -2.166 11.254 1.00 0.00 C ATOM 0 H ALA A 60 -3.232 -1.107 10.192 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.465 -2.384 9.242 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -7.167 -2.056 10.970 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -5.919 -3.208 11.504 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -5.912 -1.538 12.121 1.00 0.00 H new ATOM 968 N VAL A 61 -6.659 -0.083 9.078 1.00 0.00 N ATOM 969 CA VAL A 61 -7.039 1.241 8.616 1.00 0.00 C ATOM 970 C VAL A 61 -8.470 1.542 9.065 1.00 0.00 C ATOM 971 O VAL A 61 -9.244 0.626 9.339 1.00 0.00 O ATOM 972 CB VAL A 61 -6.856 1.338 7.100 1.00 0.00 C ATOM 973 CG1 VAL A 61 -7.021 -0.031 6.438 1.00 0.00 C ATOM 974 CG2 VAL A 61 -7.822 2.359 6.496 1.00 0.00 C ATOM 0 H VAL A 61 -7.360 -0.807 8.921 1.00 0.00 H new ATOM 0 HA VAL A 61 -6.393 2.000 9.058 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.840 1.682 6.907 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.886 0.067 5.361 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.276 -0.720 6.836 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -8.019 -0.417 6.645 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -7.671 2.409 5.418 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -8.848 2.057 6.706 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -7.636 3.340 6.934 1.00 0.00 H new ATOM 984 N ALA A 62 -8.778 2.829 9.128 1.00 0.00 N ATOM 985 CA ALA A 62 -10.103 3.262 9.540 1.00 0.00 C ATOM 986 C ALA A 62 -10.474 4.540 8.785 1.00 0.00 C ATOM 987 O ALA A 62 -9.616 5.379 8.517 1.00 0.00 O ATOM 988 CB ALA A 62 -10.128 3.453 11.058 1.00 0.00 C ATOM 0 H ALA A 62 -8.133 3.586 8.901 1.00 0.00 H new ATOM 0 HA ALA A 62 -10.848 2.506 9.294 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -11.121 3.778 11.368 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -9.886 2.510 11.547 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -9.395 4.208 11.342 1.00 0.00 H new ATOM 994 N PRO A 63 -11.789 4.651 8.455 1.00 0.00 N ATOM 995 CA PRO A 63 -12.285 5.812 7.736 1.00 0.00 C ATOM 996 C PRO A 63 -12.378 7.029 8.659 1.00 0.00 C ATOM 997 O PRO A 63 -13.099 7.004 9.655 1.00 0.00 O ATOM 998 CB PRO A 63 -13.633 5.384 7.179 1.00 0.00 C ATOM 999 CG PRO A 63 -14.052 4.168 7.990 1.00 0.00 C ATOM 1000 CD PRO A 63 -12.834 3.677 8.756 1.00 0.00 C ATOM 0 HA PRO A 63 -11.619 6.126 6.932 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -14.366 6.186 7.270 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -13.558 5.140 6.119 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -14.857 4.427 8.678 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -14.432 3.384 7.335 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -13.033 3.628 9.827 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -12.544 2.675 8.439 1.00 0.00 H new ATOM 1008 N GLY A 64 -11.639 8.066 8.294 1.00 0.00 N ATOM 1009 CA GLY A 64 -11.629 9.291 9.076 1.00 0.00 C ATOM 1010 C GLY A 64 -12.554 10.342 8.460 1.00 0.00 C ATOM 1011 O GLY A 64 -13.217 10.080 7.458 1.00 0.00 O ATOM 0 H GLY A 64 -11.043 8.083 7.467 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -11.945 9.077 10.097 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -10.613 9.683 9.132 1.00 0.00 H new ATOM 1015 N THR A 65 -12.569 11.510 9.086 1.00 0.00 N ATOM 1016 CA THR A 65 -13.402 12.602 8.612 1.00 0.00 C ATOM 1017 C THR A 65 -12.536 13.712 8.014 1.00 0.00 C ATOM 1018 O THR A 65 -11.342 13.796 8.299 1.00 0.00 O ATOM 1019 CB THR A 65 -14.273 13.073 9.778 1.00 0.00 C ATOM 1020 OG1 THR A 65 -13.387 13.077 10.894 1.00 0.00 O ATOM 1021 CG2 THR A 65 -15.346 12.050 10.158 1.00 0.00 C ATOM 0 H THR A 65 -12.018 11.724 9.917 1.00 0.00 H new ATOM 0 HA THR A 65 -14.060 12.276 7.807 1.00 0.00 H new ATOM 0 HB THR A 65 -14.749 14.018 9.517 1.00 0.00 H new ATOM 0 HG1 THR A 65 -13.870 13.372 11.694 1.00 0.00 H new ATOM 0 HG21 THR A 65 -15.936 12.434 10.990 1.00 0.00 H new ATOM 0 HG22 THR A 65 -15.998 11.872 9.303 1.00 0.00 H new ATOM 0 HG23 THR A 65 -14.869 11.115 10.452 1.00 0.00 H new ATOM 1029 N PRO A 66 -13.187 14.559 7.172 1.00 0.00 N ATOM 1030 CA PRO A 66 -12.490 15.661 6.531 1.00 0.00 C ATOM 1031 C PRO A 66 -12.226 16.795 7.524 1.00 0.00 C ATOM 1032 O PRO A 66 -13.063 17.679 7.699 1.00 0.00 O ATOM 1033 CB PRO A 66 -13.388 16.078 5.378 1.00 0.00 C ATOM 1034 CG PRO A 66 -14.762 15.510 5.694 1.00 0.00 C ATOM 1035 CD PRO A 66 -14.600 14.491 6.810 1.00 0.00 C ATOM 0 HA PRO A 66 -11.502 15.378 6.167 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -13.426 17.163 5.285 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -13.013 15.690 4.431 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -15.443 16.305 5.999 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -15.194 15.042 4.810 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -15.239 14.730 7.660 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -14.875 13.491 6.476 1.00 0.00 H new ATOM 1043 N THR A 67 -11.059 16.732 8.148 1.00 0.00 N ATOM 1044 CA THR A 67 -10.674 17.743 9.118 1.00 0.00 C ATOM 1045 C THR A 67 -10.226 19.022 8.408 1.00 0.00 C ATOM 1046 O THR A 67 -10.342 19.132 7.188 1.00 0.00 O ATOM 1047 CB THR A 67 -9.598 17.143 10.025 1.00 0.00 C ATOM 1048 OG1 THR A 67 -8.420 17.157 9.222 1.00 0.00 O ATOM 1049 CG2 THR A 67 -9.835 15.658 10.312 1.00 0.00 C ATOM 0 H THR A 67 -10.368 15.997 8.001 1.00 0.00 H new ATOM 0 HA THR A 67 -11.520 18.034 9.741 1.00 0.00 H new ATOM 0 HB THR A 67 -9.567 17.694 10.965 1.00 0.00 H new ATOM 0 HG1 THR A 67 -7.671 16.786 9.734 1.00 0.00 H new ATOM 0 HG21 THR A 67 -9.043 15.282 10.960 1.00 0.00 H new ATOM 0 HG22 THR A 67 -10.798 15.532 10.806 1.00 0.00 H new ATOM 0 HG23 THR A 67 -9.832 15.101 9.375 1.00 0.00 H new ATOM 1057 N ILE A 68 -9.723 19.956 9.201 1.00 0.00 N ATOM 1058 CA ILE A 68 -9.257 21.223 8.663 1.00 0.00 C ATOM 1059 C ILE A 68 -7.959 20.995 7.885 1.00 0.00 C ATOM 1060 O ILE A 68 -7.081 20.262 8.337 1.00 0.00 O ATOM 1061 CB ILE A 68 -9.132 22.264 9.777 1.00 0.00 C ATOM 1062 CG1 ILE A 68 -10.506 22.640 10.334 1.00 0.00 C ATOM 1063 CG2 ILE A 68 -8.353 23.491 9.296 1.00 0.00 C ATOM 1064 CD1 ILE A 68 -10.600 22.316 11.827 1.00 0.00 C ATOM 0 H ILE A 68 -9.628 19.861 10.212 1.00 0.00 H new ATOM 0 HA ILE A 68 -9.984 21.629 7.959 1.00 0.00 H new ATOM 0 HB ILE A 68 -8.564 21.822 10.595 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -10.688 23.703 10.177 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -11.282 22.100 9.792 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -8.279 24.216 10.107 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -7.353 23.189 8.987 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -8.873 23.944 8.451 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -11.587 22.593 12.198 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -10.442 21.248 11.978 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -9.838 22.876 12.369 1.00 0.00 H new ATOM 1076 N GLY A 69 -7.880 21.638 6.729 1.00 0.00 N ATOM 1077 CA GLY A 69 -6.704 21.514 5.884 1.00 0.00 C ATOM 1078 C GLY A 69 -6.985 20.609 4.684 1.00 0.00 C ATOM 1079 O GLY A 69 -6.532 20.885 3.574 1.00 0.00 O ATOM 0 H GLY A 69 -8.610 22.246 6.358 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -6.396 22.500 5.536 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -5.876 21.108 6.465 1.00 0.00 H new ATOM 1083 N ALA A 70 -7.730 19.545 4.946 1.00 0.00 N ATOM 1084 CA ALA A 70 -8.076 18.597 3.901 1.00 0.00 C ATOM 1085 C ALA A 70 -8.635 19.355 2.696 1.00 0.00 C ATOM 1086 O ALA A 70 -8.972 20.534 2.801 1.00 0.00 O ATOM 1087 CB ALA A 70 -9.064 17.567 4.452 1.00 0.00 C ATOM 0 H ALA A 70 -8.104 19.319 5.868 1.00 0.00 H new ATOM 0 HA ALA A 70 -7.192 18.054 3.568 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -9.323 16.856 3.668 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -8.608 17.036 5.287 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -9.966 18.075 4.794 1.00 0.00 H new ATOM 1093 N PRO A 71 -8.719 18.630 1.548 1.00 0.00 N ATOM 1094 CA PRO A 71 -9.232 19.221 0.324 1.00 0.00 C ATOM 1095 C PRO A 71 -10.753 19.369 0.383 1.00 0.00 C ATOM 1096 O PRO A 71 -11.442 18.519 0.945 1.00 0.00 O ATOM 1097 CB PRO A 71 -8.767 18.293 -0.786 1.00 0.00 C ATOM 1098 CG PRO A 71 -8.414 16.978 -0.109 1.00 0.00 C ATOM 1099 CD PRO A 71 -8.329 17.232 1.387 1.00 0.00 C ATOM 0 HA PRO A 71 -8.863 20.233 0.158 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -9.550 18.151 -1.530 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -7.904 18.708 -1.307 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -9.169 16.222 -0.326 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -7.465 16.597 -0.486 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -8.995 16.569 1.940 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -7.321 17.056 1.762 1.00 0.00 H new ATOM 1107 N LYS A 72 -11.233 20.455 -0.206 1.00 0.00 N ATOM 1108 CA LYS A 72 -12.661 20.725 -0.229 1.00 0.00 C ATOM 1109 C LYS A 72 -13.283 20.057 -1.457 1.00 0.00 C ATOM 1110 O LYS A 72 -14.046 20.685 -2.189 1.00 0.00 O ATOM 1111 CB LYS A 72 -12.922 22.230 -0.149 1.00 0.00 C ATOM 1112 CG LYS A 72 -13.114 22.677 1.302 1.00 0.00 C ATOM 1113 CD LYS A 72 -14.324 23.605 1.435 1.00 0.00 C ATOM 1114 CE LYS A 72 -13.930 25.060 1.174 1.00 0.00 C ATOM 1115 NZ LYS A 72 -13.057 25.563 2.259 1.00 0.00 N ATOM 0 H LYS A 72 -10.658 21.158 -0.671 1.00 0.00 H new ATOM 0 HA LYS A 72 -13.145 20.294 0.647 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -12.087 22.772 -0.593 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -13.809 22.480 -0.731 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -13.249 21.804 1.940 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -12.218 23.190 1.650 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -15.098 23.302 0.730 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -14.749 23.513 2.434 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -13.413 25.137 0.218 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -14.825 25.678 1.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -13.138 26.598 2.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -13.349 25.141 3.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -12.070 25.304 2.059 1.00 0.00 H new ATOM 1129 N THR A 73 -12.933 18.793 -1.644 1.00 0.00 N ATOM 1130 CA THR A 73 -13.448 18.033 -2.770 1.00 0.00 C ATOM 1131 C THR A 73 -13.857 16.628 -2.324 1.00 0.00 C ATOM 1132 O THR A 73 -14.973 16.187 -2.594 1.00 0.00 O ATOM 1133 CB THR A 73 -12.382 18.036 -3.868 1.00 0.00 C ATOM 1134 OG1 THR A 73 -11.180 17.687 -3.187 1.00 0.00 O ATOM 1135 CG2 THR A 73 -12.108 19.438 -4.415 1.00 0.00 C ATOM 0 H THR A 73 -12.299 18.276 -1.035 1.00 0.00 H new ATOM 0 HA THR A 73 -14.353 18.487 -3.173 1.00 0.00 H new ATOM 0 HB THR A 73 -12.699 17.385 -4.683 1.00 0.00 H new ATOM 0 HG1 THR A 73 -10.437 17.664 -3.826 1.00 0.00 H new ATOM 0 HG21 THR A 73 -11.344 19.383 -5.191 1.00 0.00 H new ATOM 0 HG22 THR A 73 -13.025 19.850 -4.837 1.00 0.00 H new ATOM 0 HG23 THR A 73 -11.759 20.082 -3.608 1.00 0.00 H new ATOM 1143 N VAL A 74 -12.931 15.964 -1.648 1.00 0.00 N ATOM 1144 CA VAL A 74 -13.181 14.618 -1.161 1.00 0.00 C ATOM 1145 C VAL A 74 -14.259 14.664 -0.076 1.00 0.00 C ATOM 1146 O VAL A 74 -14.310 15.608 0.712 1.00 0.00 O ATOM 1147 CB VAL A 74 -11.875 13.984 -0.680 1.00 0.00 C ATOM 1148 CG1 VAL A 74 -12.109 12.557 -0.180 1.00 0.00 C ATOM 1149 CG2 VAL A 74 -10.813 14.012 -1.781 1.00 0.00 C ATOM 0 H VAL A 74 -12.006 16.333 -1.426 1.00 0.00 H new ATOM 0 HA VAL A 74 -13.557 13.985 -1.965 1.00 0.00 H new ATOM 0 HB VAL A 74 -11.505 14.576 0.157 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -11.164 12.130 0.156 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -12.815 12.574 0.650 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -12.514 11.950 -0.989 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -9.895 13.555 -1.412 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -11.172 13.457 -2.647 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -10.614 15.044 -2.069 1.00 0.00 H new ATOM 1159 N ASP A 75 -15.092 13.635 -0.070 1.00 0.00 N ATOM 1160 CA ASP A 75 -16.165 13.546 0.906 1.00 0.00 C ATOM 1161 C ASP A 75 -15.606 13.009 2.225 1.00 0.00 C ATOM 1162 O ASP A 75 -14.398 12.824 2.362 1.00 0.00 O ATOM 1163 CB ASP A 75 -17.262 12.590 0.433 1.00 0.00 C ATOM 1164 CG ASP A 75 -18.692 13.069 0.690 1.00 0.00 C ATOM 1165 OD1 ASP A 75 -19.175 13.880 -0.130 1.00 0.00 O ATOM 1166 OD2 ASP A 75 -19.270 12.614 1.700 1.00 0.00 O ATOM 0 H ASP A 75 -15.046 12.855 -0.726 1.00 0.00 H new ATOM 0 HA ASP A 75 -16.587 14.543 1.035 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -17.139 12.420 -0.637 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -17.123 11.628 0.927 1.00 0.00 H new ATOM 1171 N GLU A 76 -16.512 12.775 3.163 1.00 0.00 N ATOM 1172 CA GLU A 76 -16.125 12.263 4.467 1.00 0.00 C ATOM 1173 C GLU A 76 -16.030 10.737 4.430 1.00 0.00 C ATOM 1174 O GLU A 76 -15.319 10.136 5.235 1.00 0.00 O ATOM 1175 CB GLU A 76 -17.101 12.726 5.550 1.00 0.00 C ATOM 1176 CG GLU A 76 -18.426 11.966 5.456 1.00 0.00 C ATOM 1177 CD GLU A 76 -19.596 12.845 5.900 1.00 0.00 C ATOM 1178 OE1 GLU A 76 -19.554 14.052 5.576 1.00 0.00 O ATOM 1179 OE2 GLU A 76 -20.507 12.291 6.553 1.00 0.00 O ATOM 0 H GLU A 76 -17.513 12.931 3.046 1.00 0.00 H new ATOM 0 HA GLU A 76 -15.142 12.663 4.716 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -16.658 12.571 6.534 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -17.283 13.796 5.447 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -18.586 11.633 4.431 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -18.381 11.072 6.078 1.00 0.00 H new ATOM 1186 N LYS A 77 -16.756 10.152 3.489 1.00 0.00 N ATOM 1187 CA LYS A 77 -16.763 8.707 3.338 1.00 0.00 C ATOM 1188 C LYS A 77 -15.673 8.298 2.345 1.00 0.00 C ATOM 1189 O LYS A 77 -15.939 7.568 1.391 1.00 0.00 O ATOM 1190 CB LYS A 77 -18.160 8.215 2.954 1.00 0.00 C ATOM 1191 CG LYS A 77 -19.175 8.535 4.054 1.00 0.00 C ATOM 1192 CD LYS A 77 -20.550 7.955 3.716 1.00 0.00 C ATOM 1193 CE LYS A 77 -21.543 9.065 3.368 1.00 0.00 C ATOM 1194 NZ LYS A 77 -22.435 9.341 4.516 1.00 0.00 N ATOM 0 H LYS A 77 -17.344 10.653 2.823 1.00 0.00 H new ATOM 0 HA LYS A 77 -16.530 8.223 4.287 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -18.471 8.683 2.020 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -18.135 7.140 2.778 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -18.828 8.128 5.004 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -19.253 9.615 4.179 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -20.461 7.265 2.877 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -20.924 7.380 4.563 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -21.003 9.971 3.093 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -22.136 8.772 2.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -23.103 10.097 4.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -22.964 8.479 4.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -21.866 9.641 5.333 1.00 0.00 H new ATOM 1208 N ALA A 78 -14.468 8.786 2.604 1.00 0.00 N ATOM 1209 CA ALA A 78 -13.337 8.480 1.745 1.00 0.00 C ATOM 1210 C ALA A 78 -12.057 8.458 2.584 1.00 0.00 C ATOM 1211 O ALA A 78 -11.288 7.500 2.524 1.00 0.00 O ATOM 1212 CB ALA A 78 -13.270 9.499 0.606 1.00 0.00 C ATOM 0 H ALA A 78 -14.251 9.391 3.396 1.00 0.00 H new ATOM 0 HA ALA A 78 -13.453 7.495 1.294 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -12.421 9.269 -0.038 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -14.190 9.455 0.024 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -13.151 10.500 1.020 1.00 0.00 H new ATOM 1218 N PHE A 79 -11.869 9.525 3.346 1.00 0.00 N ATOM 1219 CA PHE A 79 -10.695 9.641 4.195 1.00 0.00 C ATOM 1220 C PHE A 79 -10.517 8.389 5.056 1.00 0.00 C ATOM 1221 O PHE A 79 -11.430 7.992 5.778 1.00 0.00 O ATOM 1222 CB PHE A 79 -10.922 10.846 5.110 1.00 0.00 C ATOM 1223 CG PHE A 79 -10.872 12.194 4.386 1.00 0.00 C ATOM 1224 CD1 PHE A 79 -12.004 12.718 3.846 1.00 0.00 C ATOM 1225 CD2 PHE A 79 -9.695 12.867 4.285 1.00 0.00 C ATOM 1226 CE1 PHE A 79 -11.958 13.968 3.175 1.00 0.00 C ATOM 1227 CE2 PHE A 79 -9.648 14.118 3.614 1.00 0.00 C ATOM 1228 CZ PHE A 79 -10.781 14.642 3.073 1.00 0.00 C ATOM 0 H PHE A 79 -12.510 10.317 3.394 1.00 0.00 H new ATOM 0 HA PHE A 79 -9.802 9.759 3.582 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -11.892 10.742 5.597 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -10.168 10.839 5.897 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -12.939 12.183 3.928 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -8.796 12.451 4.715 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -12.857 14.384 2.746 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -8.713 14.653 3.533 1.00 0.00 H new ATOM 0 HZ PHE A 79 -10.746 15.593 2.563 1.00 0.00 H new ATOM 1238 N PHE A 80 -9.334 7.802 4.952 1.00 0.00 N ATOM 1239 CA PHE A 80 -9.024 6.603 5.713 1.00 0.00 C ATOM 1240 C PHE A 80 -7.614 6.677 6.302 1.00 0.00 C ATOM 1241 O PHE A 80 -6.652 6.955 5.587 1.00 0.00 O ATOM 1242 CB PHE A 80 -9.096 5.425 4.739 1.00 0.00 C ATOM 1243 CG PHE A 80 -7.996 5.428 3.675 1.00 0.00 C ATOM 1244 CD1 PHE A 80 -8.100 6.246 2.593 1.00 0.00 C ATOM 1245 CD2 PHE A 80 -6.916 4.614 3.811 1.00 0.00 C ATOM 1246 CE1 PHE A 80 -7.080 6.250 1.606 1.00 0.00 C ATOM 1247 CE2 PHE A 80 -5.896 4.617 2.823 1.00 0.00 C ATOM 1248 CZ PHE A 80 -5.999 5.435 1.741 1.00 0.00 C ATOM 0 H PHE A 80 -8.579 8.134 4.352 1.00 0.00 H new ATOM 0 HA PHE A 80 -9.728 6.493 6.538 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -9.037 4.495 5.305 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -10.067 5.436 4.243 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -8.959 6.892 2.485 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -6.834 3.965 4.670 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -7.162 6.900 0.748 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -5.038 3.970 2.931 1.00 0.00 H new ATOM 0 HZ PHE A 80 -5.223 5.437 0.990 1.00 0.00 H new ATOM 1258 N ASP A 81 -7.535 6.423 7.600 1.00 0.00 N ATOM 1259 CA ASP A 81 -6.259 6.457 8.293 1.00 0.00 C ATOM 1260 C ASP A 81 -5.611 5.072 8.229 1.00 0.00 C ATOM 1261 O ASP A 81 -6.268 4.063 8.480 1.00 0.00 O ATOM 1262 CB ASP A 81 -6.442 6.825 9.767 1.00 0.00 C ATOM 1263 CG ASP A 81 -5.719 8.098 10.210 1.00 0.00 C ATOM 1264 OD1 ASP A 81 -5.509 8.966 9.335 1.00 0.00 O ATOM 1265 OD2 ASP A 81 -5.392 8.175 11.414 1.00 0.00 O ATOM 0 H ASP A 81 -8.335 6.193 8.190 1.00 0.00 H new ATOM 0 HA ASP A 81 -5.633 7.206 7.809 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -7.507 6.942 9.967 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -6.092 5.994 10.380 1.00 0.00 H new ATOM 1270 N VAL A 82 -4.330 5.069 7.891 1.00 0.00 N ATOM 1271 CA VAL A 82 -3.586 3.825 7.790 1.00 0.00 C ATOM 1272 C VAL A 82 -2.664 3.687 9.004 1.00 0.00 C ATOM 1273 O VAL A 82 -1.742 4.481 9.180 1.00 0.00 O ATOM 1274 CB VAL A 82 -2.834 3.771 6.459 1.00 0.00 C ATOM 1275 CG1 VAL A 82 -1.887 2.570 6.413 1.00 0.00 C ATOM 1276 CG2 VAL A 82 -3.808 3.748 5.279 1.00 0.00 C ATOM 0 H VAL A 82 -3.788 5.908 7.684 1.00 0.00 H new ATOM 0 HA VAL A 82 -4.265 2.972 7.799 1.00 0.00 H new ATOM 0 HB VAL A 82 -2.232 4.676 6.377 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -1.365 2.555 5.456 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.161 2.648 7.222 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.460 1.650 6.528 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.247 3.710 4.345 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -4.449 2.870 5.354 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -4.422 4.648 5.297 1.00 0.00 H new ATOM 1286 N LYS A 83 -2.946 2.673 9.809 1.00 0.00 N ATOM 1287 CA LYS A 83 -2.154 2.422 11.001 1.00 0.00 C ATOM 1288 C LYS A 83 -1.026 1.445 10.661 1.00 0.00 C ATOM 1289 O LYS A 83 -1.281 0.326 10.219 1.00 0.00 O ATOM 1290 CB LYS A 83 -3.049 1.951 12.149 1.00 0.00 C ATOM 1291 CG LYS A 83 -3.968 3.078 12.624 1.00 0.00 C ATOM 1292 CD LYS A 83 -4.981 2.564 13.650 1.00 0.00 C ATOM 1293 CE LYS A 83 -6.177 3.511 13.762 1.00 0.00 C ATOM 1294 NZ LYS A 83 -6.666 3.566 15.158 1.00 0.00 N ATOM 0 H LYS A 83 -3.712 2.016 9.659 1.00 0.00 H new ATOM 0 HA LYS A 83 -1.686 3.343 11.349 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -3.648 1.101 11.823 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -2.432 1.606 12.978 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -3.372 3.877 13.065 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -4.494 3.507 11.771 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -5.325 1.571 13.361 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -4.500 2.464 14.623 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -5.890 4.509 13.431 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -6.978 3.175 13.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -7.478 4.213 15.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -6.959 2.615 15.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -5.905 3.908 15.779 1.00 0.00 H new ATOM 1308 N THR A 84 0.197 1.905 10.880 1.00 0.00 N ATOM 1309 CA THR A 84 1.365 1.087 10.603 1.00 0.00 C ATOM 1310 C THR A 84 2.313 1.085 11.804 1.00 0.00 C ATOM 1311 O THR A 84 2.196 1.928 12.693 1.00 0.00 O ATOM 1312 CB THR A 84 2.013 1.607 9.318 1.00 0.00 C ATOM 1313 OG1 THR A 84 1.770 3.010 9.351 1.00 0.00 O ATOM 1314 CG2 THR A 84 1.283 1.131 8.061 1.00 0.00 C ATOM 0 H THR A 84 0.404 2.834 11.246 1.00 0.00 H new ATOM 0 HA THR A 84 1.089 0.044 10.446 1.00 0.00 H new ATOM 0 HB THR A 84 3.053 1.283 9.278 1.00 0.00 H new ATOM 0 HG1 THR A 84 1.725 3.356 8.435 1.00 0.00 H new ATOM 0 HG21 THR A 84 1.783 1.528 7.178 1.00 0.00 H new ATOM 0 HG22 THR A 84 1.293 0.042 8.025 1.00 0.00 H new ATOM 0 HG23 THR A 84 0.252 1.484 8.083 1.00 0.00 H new ATOM 1322 N THR A 85 3.231 0.130 11.793 1.00 0.00 N ATOM 1323 CA THR A 85 4.198 0.008 12.870 1.00 0.00 C ATOM 1324 C THR A 85 4.996 1.304 13.019 1.00 0.00 C ATOM 1325 O THR A 85 5.077 1.865 14.111 1.00 0.00 O ATOM 1326 CB THR A 85 5.073 -1.215 12.584 1.00 0.00 C ATOM 1327 OG1 THR A 85 5.824 -0.842 11.432 1.00 0.00 O ATOM 1328 CG2 THR A 85 4.256 -2.423 12.121 1.00 0.00 C ATOM 0 H THR A 85 3.325 -0.567 11.054 1.00 0.00 H new ATOM 0 HA THR A 85 3.704 -0.145 13.830 1.00 0.00 H new ATOM 0 HB THR A 85 5.634 -1.478 13.481 1.00 0.00 H new ATOM 0 HG1 THR A 85 5.945 -1.623 10.853 1.00 0.00 H new ATOM 0 HG21 THR A 85 4.924 -3.263 11.932 1.00 0.00 H new ATOM 0 HG22 THR A 85 3.540 -2.696 12.896 1.00 0.00 H new ATOM 0 HG23 THR A 85 3.721 -2.171 11.205 1.00 0.00 H new ATOM 1336 N ARG A 86 5.565 1.743 11.906 1.00 0.00 N ATOM 1337 CA ARG A 86 6.354 2.963 11.899 1.00 0.00 C ATOM 1338 C ARG A 86 5.573 4.104 12.553 1.00 0.00 C ATOM 1339 O ARG A 86 5.940 4.577 13.628 1.00 0.00 O ATOM 1340 CB ARG A 86 6.733 3.366 10.473 1.00 0.00 C ATOM 1341 CG ARG A 86 8.196 3.029 10.178 1.00 0.00 C ATOM 1342 CD ARG A 86 9.029 4.301 10.010 1.00 0.00 C ATOM 1343 NE ARG A 86 10.431 4.045 10.412 1.00 0.00 N ATOM 1344 CZ ARG A 86 11.336 3.437 9.633 1.00 0.00 C ATOM 1345 NH1 ARG A 86 10.992 3.018 8.408 1.00 0.00 N ATOM 1346 NH2 ARG A 86 12.585 3.247 10.081 1.00 0.00 N ATOM 0 H ARG A 86 5.495 1.275 11.002 1.00 0.00 H new ATOM 0 HA ARG A 86 7.266 2.771 12.465 1.00 0.00 H new ATOM 0 HB2 ARG A 86 6.087 2.851 9.762 1.00 0.00 H new ATOM 0 HB3 ARG A 86 6.568 4.435 10.337 1.00 0.00 H new ATOM 0 HG2 ARG A 86 8.605 2.427 10.989 1.00 0.00 H new ATOM 0 HG3 ARG A 86 8.258 2.427 9.272 1.00 0.00 H new ATOM 0 HD2 ARG A 86 8.994 4.634 8.973 1.00 0.00 H new ATOM 0 HD3 ARG A 86 8.609 5.103 10.616 1.00 0.00 H new ATOM 0 HE ARG A 86 10.726 4.350 11.339 1.00 0.00 H new ATOM 0 HH11 ARG A 86 10.041 3.162 8.068 1.00 0.00 H new ATOM 0 HH12 ARG A 86 11.681 2.555 7.815 1.00 0.00 H new ATOM 0 HH21 ARG A 86 12.846 3.565 11.014 1.00 0.00 H new ATOM 0 HH22 ARG A 86 13.274 2.784 9.489 1.00 0.00 H new ATOM 1360 N ARG A 87 4.509 4.513 11.878 1.00 0.00 N ATOM 1361 CA ARG A 87 3.672 5.590 12.380 1.00 0.00 C ATOM 1362 C ARG A 87 2.348 5.635 11.615 1.00 0.00 C ATOM 1363 O ARG A 87 2.225 5.039 10.545 1.00 0.00 O ATOM 1364 CB ARG A 87 4.376 6.942 12.248 1.00 0.00 C ATOM 1365 CG ARG A 87 4.536 7.336 10.779 1.00 0.00 C ATOM 1366 CD ARG A 87 5.628 8.394 10.610 1.00 0.00 C ATOM 1367 NE ARG A 87 5.552 8.989 9.257 1.00 0.00 N ATOM 1368 CZ ARG A 87 6.574 9.607 8.650 1.00 0.00 C ATOM 1369 NH1 ARG A 87 7.756 9.716 9.271 1.00 0.00 N ATOM 1370 NH2 ARG A 87 6.414 10.116 7.421 1.00 0.00 N ATOM 0 H ARG A 87 4.207 4.118 10.987 1.00 0.00 H new ATOM 0 HA ARG A 87 3.479 5.395 13.435 1.00 0.00 H new ATOM 0 HB2 ARG A 87 3.804 7.707 12.773 1.00 0.00 H new ATOM 0 HB3 ARG A 87 5.355 6.894 12.724 1.00 0.00 H new ATOM 0 HG2 ARG A 87 4.784 6.455 10.188 1.00 0.00 H new ATOM 0 HG3 ARG A 87 3.590 7.720 10.397 1.00 0.00 H new ATOM 0 HD2 ARG A 87 5.512 9.172 11.365 1.00 0.00 H new ATOM 0 HD3 ARG A 87 6.609 7.944 10.764 1.00 0.00 H new ATOM 0 HE ARG A 87 4.666 8.925 8.755 1.00 0.00 H new ATOM 0 HH11 ARG A 87 7.878 9.328 10.207 1.00 0.00 H new ATOM 0 HH12 ARG A 87 8.534 10.187 8.808 1.00 0.00 H new ATOM 0 HH21 ARG A 87 5.514 10.033 6.948 1.00 0.00 H new ATOM 0 HH22 ARG A 87 7.192 10.587 6.959 1.00 0.00 H new ATOM 1384 N VAL A 88 1.392 6.347 12.192 1.00 0.00 N ATOM 1385 CA VAL A 88 0.082 6.478 11.577 1.00 0.00 C ATOM 1386 C VAL A 88 0.178 7.424 10.378 1.00 0.00 C ATOM 1387 O VAL A 88 0.888 8.427 10.429 1.00 0.00 O ATOM 1388 CB VAL A 88 -0.942 6.935 12.618 1.00 0.00 C ATOM 1389 CG1 VAL A 88 -2.104 7.677 11.955 1.00 0.00 C ATOM 1390 CG2 VAL A 88 -1.448 5.752 13.446 1.00 0.00 C ATOM 0 H VAL A 88 1.498 6.839 13.079 1.00 0.00 H new ATOM 0 HA VAL A 88 -0.262 5.514 11.204 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.444 7.629 13.295 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -2.817 7.991 12.717 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -1.724 8.554 11.431 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -2.600 7.016 11.244 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -2.174 6.105 14.178 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -1.921 5.023 12.788 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -0.610 5.284 13.963 1.00 0.00 H new ATOM 1400 N TYR A 89 -0.547 7.070 9.326 1.00 0.00 N ATOM 1401 CA TYR A 89 -0.552 7.875 8.116 1.00 0.00 C ATOM 1402 C TYR A 89 -1.940 8.463 7.855 1.00 0.00 C ATOM 1403 O TYR A 89 -2.924 8.032 8.455 1.00 0.00 O ATOM 1404 CB TYR A 89 -0.191 6.923 6.975 1.00 0.00 C ATOM 1405 CG TYR A 89 1.180 6.261 7.126 1.00 0.00 C ATOM 1406 CD1 TYR A 89 2.257 7.000 7.573 1.00 0.00 C ATOM 1407 CD2 TYR A 89 1.340 4.926 6.814 1.00 0.00 C ATOM 1408 CE1 TYR A 89 3.547 6.378 7.715 1.00 0.00 C ATOM 1409 CE2 TYR A 89 2.631 4.304 6.956 1.00 0.00 C ATOM 1410 CZ TYR A 89 3.671 5.060 7.400 1.00 0.00 C ATOM 1411 OH TYR A 89 4.890 4.473 7.534 1.00 0.00 O ATOM 0 H TYR A 89 -1.135 6.237 9.287 1.00 0.00 H new ATOM 0 HA TYR A 89 0.148 8.706 8.204 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -0.953 6.146 6.909 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -0.215 7.474 6.035 1.00 0.00 H new ATOM 0 HD1 TYR A 89 2.131 8.045 7.816 1.00 0.00 H new ATOM 0 HD2 TYR A 89 0.497 4.348 6.464 1.00 0.00 H new ATOM 0 HE1 TYR A 89 4.398 6.945 8.064 1.00 0.00 H new ATOM 0 HE2 TYR A 89 2.770 3.260 6.715 1.00 0.00 H new ATOM 0 HH TYR A 89 4.829 3.530 7.274 1.00 0.00 H new ATOM 1421 N ASN A 90 -1.976 9.438 6.959 1.00 0.00 N ATOM 1422 CA ASN A 90 -3.227 10.090 6.611 1.00 0.00 C ATOM 1423 C ASN A 90 -3.410 10.055 5.092 1.00 0.00 C ATOM 1424 O ASN A 90 -2.778 10.824 4.370 1.00 0.00 O ATOM 1425 CB ASN A 90 -3.227 11.554 7.054 1.00 0.00 C ATOM 1426 CG ASN A 90 -2.882 11.679 8.539 1.00 0.00 C ATOM 1427 OD1 ASN A 90 -1.858 12.220 8.922 1.00 0.00 O ATOM 1428 ND2 ASN A 90 -3.791 11.148 9.352 1.00 0.00 N ATOM 0 H ASN A 90 -1.158 9.793 6.463 1.00 0.00 H new ATOM 0 HA ASN A 90 -4.035 9.561 7.116 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -2.506 12.117 6.461 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -4.206 11.994 6.867 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -3.652 11.179 10.362 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -4.627 10.710 8.965 1.00 0.00 H new ATOM 1435 N PHE A 91 -4.277 9.155 4.653 1.00 0.00 N ATOM 1436 CA PHE A 91 -4.551 9.010 3.234 1.00 0.00 C ATOM 1437 C PHE A 91 -6.052 9.113 2.952 1.00 0.00 C ATOM 1438 O PHE A 91 -6.871 8.886 3.840 1.00 0.00 O ATOM 1439 CB PHE A 91 -4.062 7.619 2.824 1.00 0.00 C ATOM 1440 CG PHE A 91 -2.559 7.406 3.016 1.00 0.00 C ATOM 1441 CD1 PHE A 91 -1.693 8.428 2.780 1.00 0.00 C ATOM 1442 CD2 PHE A 91 -2.090 6.196 3.422 1.00 0.00 C ATOM 1443 CE1 PHE A 91 -0.298 8.230 2.958 1.00 0.00 C ATOM 1444 CE2 PHE A 91 -0.695 5.999 3.600 1.00 0.00 C ATOM 1445 CZ PHE A 91 0.172 7.020 3.364 1.00 0.00 C ATOM 0 H PHE A 91 -4.799 8.519 5.255 1.00 0.00 H new ATOM 0 HA PHE A 91 -4.048 9.799 2.675 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -4.602 6.870 3.404 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -4.311 7.452 1.776 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -2.066 9.389 2.458 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -2.778 5.385 3.609 1.00 0.00 H new ATOM 0 HE1 PHE A 91 0.390 9.041 2.771 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -0.322 5.038 3.923 1.00 0.00 H new ATOM 0 HZ PHE A 91 1.233 6.870 3.499 1.00 0.00 H new ATOM 1455 N CYS A 92 -6.366 9.457 1.711 1.00 0.00 N ATOM 1456 CA CYS A 92 -7.753 9.593 1.301 1.00 0.00 C ATOM 1457 C CYS A 92 -7.802 9.609 -0.228 1.00 0.00 C ATOM 1458 O CYS A 92 -6.898 10.135 -0.877 1.00 0.00 O ATOM 1459 CB CYS A 92 -8.401 10.840 1.905 1.00 0.00 C ATOM 1460 SG CYS A 92 -7.676 12.347 1.161 1.00 0.00 S ATOM 0 H CYS A 92 -5.684 9.645 0.977 1.00 0.00 H new ATOM 0 HA CYS A 92 -8.330 8.747 1.674 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -9.477 10.821 1.732 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -8.252 10.850 2.985 1.00 0.00 H new ATOM 0 HG CYS A 92 -7.276 13.147 2.104 1.00 0.00 H new ATOM 1466 N ALA A 93 -8.866 9.027 -0.760 1.00 0.00 N ATOM 1467 CA ALA A 93 -9.045 8.967 -2.201 1.00 0.00 C ATOM 1468 C ALA A 93 -9.693 10.266 -2.684 1.00 0.00 C ATOM 1469 O ALA A 93 -9.919 11.182 -1.895 1.00 0.00 O ATOM 1470 CB ALA A 93 -9.873 7.733 -2.562 1.00 0.00 C ATOM 0 H ALA A 93 -9.614 8.592 -0.219 1.00 0.00 H new ATOM 0 HA ALA A 93 -8.083 8.872 -2.704 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -10.007 7.688 -3.643 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -9.355 6.836 -2.223 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -10.848 7.794 -2.078 1.00 0.00 H new ATOM 1476 N GLN A 94 -9.975 10.304 -3.978 1.00 0.00 N ATOM 1477 CA GLN A 94 -10.593 11.475 -4.576 1.00 0.00 C ATOM 1478 C GLN A 94 -12.116 11.330 -4.576 1.00 0.00 C ATOM 1479 O GLN A 94 -12.837 12.315 -4.729 1.00 0.00 O ATOM 1480 CB GLN A 94 -10.065 11.712 -5.992 1.00 0.00 C ATOM 1481 CG GLN A 94 -9.081 12.883 -6.022 1.00 0.00 C ATOM 1482 CD GLN A 94 -9.585 14.000 -6.937 1.00 0.00 C ATOM 1483 OE1 GLN A 94 -10.440 14.793 -6.579 1.00 0.00 O ATOM 1484 NE2 GLN A 94 -9.010 14.018 -8.136 1.00 0.00 N ATOM 0 H GLN A 94 -9.787 9.542 -4.629 1.00 0.00 H new ATOM 0 HA GLN A 94 -10.330 12.346 -3.976 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -9.573 10.810 -6.356 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -10.898 11.915 -6.665 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -8.941 13.270 -5.013 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -8.108 12.536 -6.368 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -8.300 13.324 -8.372 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -9.279 14.725 -8.820 1.00 0.00 H new ATOM 1493 N ASP A 95 -12.561 10.094 -4.404 1.00 0.00 N ATOM 1494 CA ASP A 95 -13.985 9.807 -4.382 1.00 0.00 C ATOM 1495 C ASP A 95 -14.314 8.970 -3.144 1.00 0.00 C ATOM 1496 O ASP A 95 -13.413 8.501 -2.451 1.00 0.00 O ATOM 1497 CB ASP A 95 -14.405 9.009 -5.618 1.00 0.00 C ATOM 1498 CG ASP A 95 -13.636 9.345 -6.897 1.00 0.00 C ATOM 1499 OD1 ASP A 95 -13.111 10.478 -6.962 1.00 0.00 O ATOM 1500 OD2 ASP A 95 -13.591 8.463 -7.781 1.00 0.00 O ATOM 0 H ASP A 95 -11.960 9.279 -4.279 1.00 0.00 H new ATOM 0 HA ASP A 95 -14.520 10.757 -4.367 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -14.281 7.947 -5.406 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -15.467 9.176 -5.796 1.00 0.00 H new ATOM 1505 N VAL A 96 -15.607 8.807 -2.905 1.00 0.00 N ATOM 1506 CA VAL A 96 -16.065 8.035 -1.763 1.00 0.00 C ATOM 1507 C VAL A 96 -15.853 6.545 -2.042 1.00 0.00 C ATOM 1508 O VAL A 96 -15.338 5.818 -1.194 1.00 0.00 O ATOM 1509 CB VAL A 96 -17.521 8.382 -1.447 1.00 0.00 C ATOM 1510 CG1 VAL A 96 -18.291 7.146 -0.977 1.00 0.00 C ATOM 1511 CG2 VAL A 96 -17.604 9.506 -0.412 1.00 0.00 C ATOM 0 H VAL A 96 -16.352 9.197 -3.483 1.00 0.00 H new ATOM 0 HA VAL A 96 -15.485 8.286 -0.875 1.00 0.00 H new ATOM 0 HB VAL A 96 -17.987 8.737 -2.366 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -19.323 7.421 -0.759 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -18.275 6.388 -1.760 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -17.824 6.747 -0.076 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -18.650 9.734 -0.205 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -17.112 9.190 0.508 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -17.109 10.396 -0.801 1.00 0.00 H new ATOM 1521 N PRO A 97 -16.273 6.124 -3.266 1.00 0.00 N ATOM 1522 CA PRO A 97 -16.134 4.735 -3.667 1.00 0.00 C ATOM 1523 C PRO A 97 -14.680 4.407 -4.014 1.00 0.00 C ATOM 1524 O PRO A 97 -14.284 3.242 -4.008 1.00 0.00 O ATOM 1525 CB PRO A 97 -17.078 4.570 -4.847 1.00 0.00 C ATOM 1526 CG PRO A 97 -17.359 5.975 -5.355 1.00 0.00 C ATOM 1527 CD PRO A 97 -16.887 6.957 -4.296 1.00 0.00 C ATOM 0 HA PRO A 97 -16.390 4.039 -2.868 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -16.626 3.956 -5.626 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -17.999 4.073 -4.544 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -16.840 6.151 -6.297 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -18.424 6.105 -5.549 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -16.172 7.670 -4.707 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -17.718 7.536 -3.894 1.00 0.00 H new ATOM 1535 N SER A 98 -13.925 5.455 -4.309 1.00 0.00 N ATOM 1536 CA SER A 98 -12.524 5.292 -4.657 1.00 0.00 C ATOM 1537 C SER A 98 -11.708 4.958 -3.407 1.00 0.00 C ATOM 1538 O SER A 98 -10.788 4.144 -3.461 1.00 0.00 O ATOM 1539 CB SER A 98 -11.974 6.553 -5.328 1.00 0.00 C ATOM 1540 OG SER A 98 -12.347 6.633 -6.701 1.00 0.00 O ATOM 0 H SER A 98 -14.257 6.420 -4.314 1.00 0.00 H new ATOM 0 HA SER A 98 -12.442 4.469 -5.366 1.00 0.00 H new ATOM 0 HB2 SER A 98 -12.341 7.434 -4.801 1.00 0.00 H new ATOM 0 HB3 SER A 98 -10.887 6.562 -5.246 1.00 0.00 H new ATOM 0 HG SER A 98 -13.240 7.030 -6.775 1.00 0.00 H new ATOM 1546 N ALA A 99 -12.076 5.603 -2.309 1.00 0.00 N ATOM 1547 CA ALA A 99 -11.390 5.384 -1.047 1.00 0.00 C ATOM 1548 C ALA A 99 -11.669 3.961 -0.560 1.00 0.00 C ATOM 1549 O ALA A 99 -10.742 3.211 -0.258 1.00 0.00 O ATOM 1550 CB ALA A 99 -11.832 6.444 -0.036 1.00 0.00 C ATOM 0 H ALA A 99 -12.840 6.277 -2.268 1.00 0.00 H new ATOM 0 HA ALA A 99 -10.312 5.483 -1.173 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -11.318 6.280 0.911 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -11.585 7.435 -0.417 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -12.909 6.373 0.119 1.00 0.00 H new ATOM 1556 N GLN A 100 -12.951 3.631 -0.499 1.00 0.00 N ATOM 1557 CA GLN A 100 -13.364 2.311 -0.054 1.00 0.00 C ATOM 1558 C GLN A 100 -12.509 1.234 -0.724 1.00 0.00 C ATOM 1559 O GLN A 100 -12.059 0.296 -0.068 1.00 0.00 O ATOM 1560 CB GLN A 100 -14.852 2.081 -0.329 1.00 0.00 C ATOM 1561 CG GLN A 100 -15.716 3.037 0.495 1.00 0.00 C ATOM 1562 CD GLN A 100 -15.503 2.816 1.994 1.00 0.00 C ATOM 1563 OE1 GLN A 100 -14.991 1.798 2.431 1.00 0.00 O ATOM 1564 NE2 GLN A 100 -15.923 3.823 2.755 1.00 0.00 N ATOM 0 H GLN A 100 -13.717 4.255 -0.750 1.00 0.00 H new ATOM 0 HA GLN A 100 -13.214 2.248 1.024 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -15.056 2.224 -1.390 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -15.115 1.050 -0.090 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -15.471 4.067 0.237 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -16.767 2.888 0.248 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -16.343 4.647 2.325 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -15.825 3.771 3.769 1.00 0.00 H new ATOM 1573 N GLN A 101 -12.312 1.403 -2.024 1.00 0.00 N ATOM 1574 CA GLN A 101 -11.519 0.457 -2.790 1.00 0.00 C ATOM 1575 C GLN A 101 -10.113 0.341 -2.198 1.00 0.00 C ATOM 1576 O GLN A 101 -9.551 -0.751 -2.133 1.00 0.00 O ATOM 1577 CB GLN A 101 -11.462 0.857 -4.265 1.00 0.00 C ATOM 1578 CG GLN A 101 -12.781 0.538 -4.971 1.00 0.00 C ATOM 1579 CD GLN A 101 -12.563 0.325 -6.471 1.00 0.00 C ATOM 1580 OE1 GLN A 101 -12.435 1.259 -7.245 1.00 0.00 O ATOM 1581 NE2 GLN A 101 -12.526 -0.953 -6.836 1.00 0.00 N ATOM 0 H GLN A 101 -12.688 2.181 -2.566 1.00 0.00 H new ATOM 0 HA GLN A 101 -11.998 -0.520 -2.731 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -11.249 1.923 -4.348 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -10.645 0.329 -4.757 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -13.224 -0.357 -4.534 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -13.488 1.353 -4.815 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -12.640 -1.687 -6.137 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -12.383 -1.200 -7.815 1.00 0.00 H new ATOM 1590 N TRP A 102 -9.584 1.483 -1.782 1.00 0.00 N ATOM 1591 CA TRP A 102 -8.255 1.523 -1.198 1.00 0.00 C ATOM 1592 C TRP A 102 -8.289 0.734 0.112 1.00 0.00 C ATOM 1593 O TRP A 102 -7.570 -0.252 0.266 1.00 0.00 O ATOM 1594 CB TRP A 102 -7.780 2.966 -1.015 1.00 0.00 C ATOM 1595 CG TRP A 102 -7.178 3.588 -2.276 1.00 0.00 C ATOM 1596 CD1 TRP A 102 -7.748 4.460 -3.119 1.00 0.00 C ATOM 1597 CD2 TRP A 102 -5.857 3.349 -2.806 1.00 0.00 C ATOM 1598 NE1 TRP A 102 -6.895 4.800 -4.149 1.00 0.00 N ATOM 1599 CE2 TRP A 102 -5.708 4.102 -3.953 1.00 0.00 C ATOM 1600 CE3 TRP A 102 -4.822 2.524 -2.333 1.00 0.00 C ATOM 1601 CZ2 TRP A 102 -4.538 4.105 -4.722 1.00 0.00 C ATOM 1602 CZ3 TRP A 102 -3.659 2.538 -3.112 1.00 0.00 C ATOM 1603 CH2 TRP A 102 -3.494 3.290 -4.269 1.00 0.00 C ATOM 0 H TRP A 102 -10.053 2.387 -1.838 1.00 0.00 H new ATOM 0 HA TRP A 102 -7.527 1.059 -1.864 1.00 0.00 H new ATOM 0 HB2 TRP A 102 -8.622 3.576 -0.688 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -7.037 2.995 -0.218 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -8.750 4.848 -3.006 1.00 0.00 H new ATOM 0 HE1 TRP A 102 -7.098 5.444 -4.913 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -4.917 1.926 -1.439 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -4.446 4.704 -5.616 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 -2.832 1.921 -2.792 1.00 0.00 H new ATOM 0 HH2 TRP A 102 -2.564 3.246 -4.816 1.00 0.00 H new ATOM 1614 N VAL A 103 -9.133 1.197 1.023 1.00 0.00 N ATOM 1615 CA VAL A 103 -9.271 0.547 2.315 1.00 0.00 C ATOM 1616 C VAL A 103 -9.323 -0.969 2.115 1.00 0.00 C ATOM 1617 O VAL A 103 -8.458 -1.694 2.605 1.00 0.00 O ATOM 1618 CB VAL A 103 -10.496 1.096 3.049 1.00 0.00 C ATOM 1619 CG1 VAL A 103 -10.737 0.337 4.355 1.00 0.00 C ATOM 1620 CG2 VAL A 103 -10.354 2.598 3.304 1.00 0.00 C ATOM 0 H VAL A 103 -9.728 2.015 0.892 1.00 0.00 H new ATOM 0 HA VAL A 103 -8.408 0.762 2.945 1.00 0.00 H new ATOM 0 HB VAL A 103 -11.366 0.946 2.410 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -11.613 0.747 4.857 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -10.904 -0.718 4.137 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -9.866 0.441 5.002 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -11.238 2.963 3.827 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -9.470 2.781 3.914 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -10.253 3.121 2.353 1.00 0.00 H new ATOM 1630 N ASP A 104 -10.346 -1.404 1.394 1.00 0.00 N ATOM 1631 CA ASP A 104 -10.523 -2.820 1.124 1.00 0.00 C ATOM 1632 C ASP A 104 -9.178 -3.430 0.724 1.00 0.00 C ATOM 1633 O ASP A 104 -8.653 -4.297 1.423 1.00 0.00 O ATOM 1634 CB ASP A 104 -11.504 -3.043 -0.029 1.00 0.00 C ATOM 1635 CG ASP A 104 -12.437 -4.244 0.139 1.00 0.00 C ATOM 1636 OD1 ASP A 104 -11.936 -5.378 -0.018 1.00 0.00 O ATOM 1637 OD2 ASP A 104 -13.631 -4.000 0.420 1.00 0.00 O ATOM 0 H ASP A 104 -11.061 -0.800 0.988 1.00 0.00 H new ATOM 0 HA ASP A 104 -10.915 -3.289 2.027 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -12.110 -2.145 -0.149 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -10.936 -3.170 -0.950 1.00 0.00 H new ATOM 1642 N ARG A 105 -8.658 -2.954 -0.397 1.00 0.00 N ATOM 1643 CA ARG A 105 -7.384 -3.442 -0.898 1.00 0.00 C ATOM 1644 C ARG A 105 -6.400 -3.638 0.257 1.00 0.00 C ATOM 1645 O ARG A 105 -6.030 -4.766 0.577 1.00 0.00 O ATOM 1646 CB ARG A 105 -6.782 -2.468 -1.913 1.00 0.00 C ATOM 1647 CG ARG A 105 -6.999 -2.963 -3.344 1.00 0.00 C ATOM 1648 CD ARG A 105 -8.427 -2.675 -3.813 1.00 0.00 C ATOM 1649 NE ARG A 105 -8.678 -3.343 -5.110 1.00 0.00 N ATOM 1650 CZ ARG A 105 -9.899 -3.610 -5.593 1.00 0.00 C ATOM 1651 NH1 ARG A 105 -10.987 -3.268 -4.891 1.00 0.00 N ATOM 1652 NH2 ARG A 105 -10.031 -4.219 -6.780 1.00 0.00 N ATOM 0 H ARG A 105 -9.096 -2.235 -0.973 1.00 0.00 H new ATOM 0 HA ARG A 105 -7.565 -4.397 -1.392 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -7.236 -1.485 -1.792 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -5.715 -2.352 -1.722 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -6.288 -2.477 -4.012 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -6.805 -4.034 -3.396 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -9.141 -3.028 -3.069 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -8.576 -1.600 -3.913 1.00 0.00 H new ATOM 0 HE ARG A 105 -7.871 -3.617 -5.671 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -10.886 -2.804 -3.988 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -11.916 -3.471 -5.259 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -9.202 -4.479 -7.315 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -10.960 -4.423 -7.148 1.00 0.00 H new ATOM 1666 N ILE A 106 -6.004 -2.521 0.850 1.00 0.00 N ATOM 1667 CA ILE A 106 -5.069 -2.556 1.963 1.00 0.00 C ATOM 1668 C ILE A 106 -5.565 -3.558 3.008 1.00 0.00 C ATOM 1669 O ILE A 106 -4.826 -4.454 3.412 1.00 0.00 O ATOM 1670 CB ILE A 106 -4.845 -1.148 2.518 1.00 0.00 C ATOM 1671 CG1 ILE A 106 -4.244 -0.228 1.454 1.00 0.00 C ATOM 1672 CG2 ILE A 106 -3.993 -1.189 3.788 1.00 0.00 C ATOM 1673 CD1 ILE A 106 -4.890 1.158 1.498 1.00 0.00 C ATOM 0 H ILE A 106 -6.313 -1.587 0.581 1.00 0.00 H new ATOM 0 HA ILE A 106 -4.091 -2.901 1.629 1.00 0.00 H new ATOM 0 HB ILE A 106 -5.814 -0.731 2.793 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -3.169 -0.137 1.612 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -4.385 -0.668 0.467 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -3.849 -0.175 4.162 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -4.499 -1.787 4.546 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -3.024 -1.634 3.562 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -4.444 1.792 0.731 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -5.961 1.066 1.316 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -4.726 1.605 2.479 1.00 0.00 H new ATOM 1685 N GLN A 107 -6.812 -3.371 3.415 1.00 0.00 N ATOM 1686 CA GLN A 107 -7.414 -4.248 4.405 1.00 0.00 C ATOM 1687 C GLN A 107 -7.289 -5.708 3.968 1.00 0.00 C ATOM 1688 O GLN A 107 -7.304 -6.613 4.801 1.00 0.00 O ATOM 1689 CB GLN A 107 -8.877 -3.873 4.652 1.00 0.00 C ATOM 1690 CG GLN A 107 -9.015 -2.992 5.895 1.00 0.00 C ATOM 1691 CD GLN A 107 -9.619 -3.779 7.060 1.00 0.00 C ATOM 1692 OE1 GLN A 107 -9.781 -4.987 7.009 1.00 0.00 O ATOM 1693 NE2 GLN A 107 -9.943 -3.029 8.110 1.00 0.00 N ATOM 0 H GLN A 107 -7.421 -2.626 3.078 1.00 0.00 H new ATOM 0 HA GLN A 107 -6.877 -4.124 5.345 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -9.273 -3.347 3.783 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -9.472 -4.778 4.775 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -8.037 -2.605 6.181 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -9.644 -2.132 5.667 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -9.781 -2.022 8.087 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -10.354 -3.461 8.938 1.00 0.00 H new ATOM 1702 N SER A 108 -7.168 -5.893 2.662 1.00 0.00 N ATOM 1703 CA SER A 108 -7.040 -7.229 2.104 1.00 0.00 C ATOM 1704 C SER A 108 -5.631 -7.768 2.355 1.00 0.00 C ATOM 1705 O SER A 108 -5.358 -8.942 2.107 1.00 0.00 O ATOM 1706 CB SER A 108 -7.350 -7.232 0.605 1.00 0.00 C ATOM 1707 OG SER A 108 -7.674 -8.535 0.130 1.00 0.00 O ATOM 0 H SER A 108 -7.156 -5.140 1.974 1.00 0.00 H new ATOM 0 HA SER A 108 -7.764 -7.877 2.599 1.00 0.00 H new ATOM 0 HB2 SER A 108 -8.182 -6.556 0.405 1.00 0.00 H new ATOM 0 HB3 SER A 108 -6.490 -6.850 0.056 1.00 0.00 H new ATOM 0 HG SER A 108 -7.104 -9.197 0.575 1.00 0.00 H new ATOM 1713 N CYS A 109 -4.773 -6.886 2.845 1.00 0.00 N ATOM 1714 CA CYS A 109 -3.398 -7.259 3.133 1.00 0.00 C ATOM 1715 C CYS A 109 -2.958 -6.529 4.403 1.00 0.00 C ATOM 1716 O CYS A 109 -2.161 -5.595 4.343 1.00 0.00 O ATOM 1717 CB CYS A 109 -2.472 -6.959 1.953 1.00 0.00 C ATOM 1718 SG CYS A 109 -1.847 -8.522 1.234 1.00 0.00 S ATOM 0 H CYS A 109 -5.003 -5.914 3.050 1.00 0.00 H new ATOM 0 HA CYS A 109 -3.337 -8.335 3.294 1.00 0.00 H new ATOM 0 HB2 CYS A 109 -3.009 -6.389 1.194 1.00 0.00 H new ATOM 0 HB3 CYS A 109 -1.637 -6.342 2.283 1.00 0.00 H new ATOM 0 HG CYS A 109 -1.064 -8.256 0.231 1.00 0.00 H new ATOM 1724 N LEU A 110 -3.497 -6.984 5.525 1.00 0.00 N ATOM 1725 CA LEU A 110 -3.170 -6.386 6.809 1.00 0.00 C ATOM 1726 C LEU A 110 -2.060 -7.199 7.477 1.00 0.00 C ATOM 1727 O LEU A 110 -0.905 -7.141 7.058 1.00 0.00 O ATOM 1728 CB LEU A 110 -4.428 -6.241 7.668 1.00 0.00 C ATOM 1729 CG LEU A 110 -5.503 -5.295 7.128 1.00 0.00 C ATOM 1730 CD1 LEU A 110 -6.711 -5.247 8.065 1.00 0.00 C ATOM 1731 CD2 LEU A 110 -4.926 -3.903 6.864 1.00 0.00 C ATOM 0 H LEU A 110 -4.158 -7.760 5.572 1.00 0.00 H new ATOM 0 HA LEU A 110 -2.787 -5.375 6.672 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -4.872 -7.228 7.797 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -4.130 -5.894 8.658 1.00 0.00 H new ATOM 0 HG LEU A 110 -5.852 -5.685 6.172 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -7.460 -4.568 7.658 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -7.139 -6.245 8.159 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -6.396 -4.894 9.047 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -5.711 -3.251 6.481 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -4.532 -3.490 7.793 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -4.123 -3.975 6.130 1.00 0.00 H new ATOM 1743 N SER A 111 -2.449 -7.939 8.505 1.00 0.00 N ATOM 1744 CA SER A 111 -1.500 -8.762 9.236 1.00 0.00 C ATOM 1745 C SER A 111 -1.319 -10.106 8.526 1.00 0.00 C ATOM 1746 O SER A 111 -0.198 -10.496 8.205 1.00 0.00 O ATOM 1747 CB SER A 111 -1.958 -8.981 10.679 1.00 0.00 C ATOM 1748 OG SER A 111 -1.060 -8.398 11.619 1.00 0.00 O ATOM 0 H SER A 111 -3.408 -7.986 8.849 1.00 0.00 H new ATOM 0 HA SER A 111 -0.543 -8.240 9.263 1.00 0.00 H new ATOM 0 HB2 SER A 111 -2.951 -8.553 10.813 1.00 0.00 H new ATOM 0 HB3 SER A 111 -2.043 -10.050 10.874 1.00 0.00 H new ATOM 0 HG SER A 111 -1.389 -8.558 12.528 1.00 0.00 H new ATOM 1754 N SER A 112 -2.440 -10.776 8.303 1.00 0.00 N ATOM 1755 CA SER A 112 -2.418 -12.068 7.637 1.00 0.00 C ATOM 1756 C SER A 112 -3.468 -12.101 6.525 1.00 0.00 C ATOM 1757 O SER A 112 -4.593 -11.642 6.714 1.00 0.00 O ATOM 1758 CB SER A 112 -2.664 -13.204 8.632 1.00 0.00 C ATOM 1759 OG SER A 112 -4.043 -13.331 8.968 1.00 0.00 O ATOM 0 H SER A 112 -3.368 -10.449 8.571 1.00 0.00 H new ATOM 0 HA SER A 112 -1.430 -12.211 7.200 1.00 0.00 H new ATOM 0 HB2 SER A 112 -2.307 -14.142 8.207 1.00 0.00 H new ATOM 0 HB3 SER A 112 -2.085 -13.024 9.538 1.00 0.00 H new ATOM 0 HG SER A 112 -4.158 -14.068 9.604 1.00 0.00 H new ATOM 1765 N GLY A 113 -3.062 -12.648 5.388 1.00 0.00 N ATOM 1766 CA GLY A 113 -3.954 -12.746 4.245 1.00 0.00 C ATOM 1767 C GLY A 113 -5.052 -13.782 4.493 1.00 0.00 C ATOM 1768 O GLY A 113 -5.096 -14.402 5.555 1.00 0.00 O ATOM 0 H GLY A 113 -2.128 -13.028 5.234 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -4.405 -11.774 4.047 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -3.384 -13.020 3.357 1.00 0.00 H new ATOM 1772 N PRO A 114 -5.933 -13.942 3.470 1.00 0.00 N ATOM 1773 CA PRO A 114 -7.028 -14.892 3.567 1.00 0.00 C ATOM 1774 C PRO A 114 -6.524 -16.328 3.403 1.00 0.00 C ATOM 1775 O PRO A 114 -5.420 -16.549 2.910 1.00 0.00 O ATOM 1776 CB PRO A 114 -8.006 -14.478 2.479 1.00 0.00 C ATOM 1777 CG PRO A 114 -7.214 -13.608 1.517 1.00 0.00 C ATOM 1778 CD PRO A 114 -5.911 -13.225 2.198 1.00 0.00 C ATOM 0 HA PRO A 114 -7.511 -14.879 4.544 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -8.416 -15.350 1.970 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -8.849 -13.929 2.899 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -7.016 -14.147 0.590 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -7.783 -12.716 1.252 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -5.050 -13.514 1.596 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -5.846 -12.148 2.352 1.00 0.00 H new ATOM 1786 N SER A 115 -7.359 -17.266 3.827 1.00 0.00 N ATOM 1787 CA SER A 115 -7.012 -18.674 3.734 1.00 0.00 C ATOM 1788 C SER A 115 -8.194 -19.468 3.175 1.00 0.00 C ATOM 1789 O SER A 115 -9.248 -19.544 3.804 1.00 0.00 O ATOM 1790 CB SER A 115 -6.596 -19.230 5.097 1.00 0.00 C ATOM 1791 OG SER A 115 -5.209 -19.556 5.140 1.00 0.00 O ATOM 0 H SER A 115 -8.275 -17.078 4.236 1.00 0.00 H new ATOM 0 HA SER A 115 -6.163 -18.773 3.057 1.00 0.00 H new ATOM 0 HB2 SER A 115 -6.820 -18.497 5.871 1.00 0.00 H new ATOM 0 HB3 SER A 115 -7.185 -20.120 5.321 1.00 0.00 H new ATOM 0 HG SER A 115 -4.983 -19.906 6.027 1.00 0.00 H new ATOM 1797 N SER A 116 -7.979 -20.039 1.999 1.00 0.00 N ATOM 1798 CA SER A 116 -9.013 -20.824 1.348 1.00 0.00 C ATOM 1799 C SER A 116 -9.367 -22.039 2.208 1.00 0.00 C ATOM 1800 O SER A 116 -8.483 -22.695 2.757 1.00 0.00 O ATOM 1801 CB SER A 116 -8.570 -21.273 -0.046 1.00 0.00 C ATOM 1802 OG SER A 116 -7.750 -22.437 0.003 1.00 0.00 O ATOM 0 H SER A 116 -7.103 -19.973 1.480 1.00 0.00 H new ATOM 0 HA SER A 116 -9.897 -20.196 1.234 1.00 0.00 H new ATOM 0 HB2 SER A 116 -9.449 -21.474 -0.658 1.00 0.00 H new ATOM 0 HB3 SER A 116 -8.023 -20.464 -0.530 1.00 0.00 H new ATOM 0 HG SER A 116 -7.490 -22.692 -0.907 1.00 0.00 H new ATOM 1808 N GLY A 117 -10.663 -22.302 2.299 1.00 0.00 N ATOM 1809 CA GLY A 117 -11.144 -23.427 3.084 1.00 0.00 C ATOM 1810 C GLY A 117 -12.067 -24.320 2.252 1.00 0.00 C ATOM 1811 O GLY A 117 -11.811 -25.513 2.102 1.00 0.00 O ATOM 0 H GLY A 117 -11.394 -21.756 1.843 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -10.298 -24.010 3.447 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -11.679 -23.061 3.961 1.00 0.00 H new TER 1815 GLY A 117