USER MOD reduce.3.24.130724 H: found=0, std=0, add=1024, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1022 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 91 HIS : no HD1:sc= -10.3! C(o=-12!,f=-20!) USER MOD Set 1.2: A 94 MET CE :methyl -172:sc= -1.3 (180deg=-0.523) USER MOD Set 2.1: A 28 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 40 LYS NZ :NH3+ -161:sc= -1.15 (180deg=-1.95) USER MOD Single : A 1 GLY N :NH3+ -115:sc= 0.07 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.156 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= -0.201 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -0.114 K(o=-0.11,f=-1.8!) USER MOD Single : A 12 SER OG : rot 180:sc= -0.154 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN : amide:sc=-0.000271 X(o=-0.00027,f=-0.042) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 156:sc= -0.0533 (180deg=-0.42) USER MOD Single : A 30 GLN : amide:sc= -1.62! C(o=-1.6!,f=-5.5!) USER MOD Single : A 32 SER OG : rot 150:sc= -0.141 USER MOD Single : A 33 THR OG1 : rot 180:sc=-0.00558 USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -122:sc= -2.34 (180deg=-4.82!) USER MOD Single : A 46 SER OG : rot 94:sc= 0.315 USER MOD Single : A 49 CYS SG : rot 2:sc= 0.908 USER MOD Single : A 52 TYR OH : rot 180:sc= -0.401 USER MOD Single : A 53 TYR OH : rot 130:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot -100:sc= -3.98! USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.232 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -0.228 X(o=-0.23,f=0.037) USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= -0.166 K(o=-0.17,f=-1.3!) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 CYS SG : rot -113:sc= 0.0527 USER MOD Single : A 101 THR OG1 : rot 120:sc= -0.109 USER MOD Single : A 103 THR OG1 : rot 180:sc= -0.81 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 111 MET CE :methyl -118:sc= -0.507 (180deg=-1.62) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 MET CE :methyl -108:sc= -1.07 (180deg=-3.69!) USER MOD Single : A 121 GLN : amide:sc= 0.951 K(o=0.95,f=-0.13) USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 127 SER OG : rot 180:sc=-0.00159 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -40.506 -4.371 3.440 1.00 0.00 N ATOM 2 CA GLY A 1 -39.754 -3.363 2.715 1.00 0.00 C ATOM 3 C GLY A 1 -38.711 -3.968 1.796 1.00 0.00 C ATOM 4 O GLY A 1 -38.423 -5.162 1.873 1.00 0.00 O ATOM 0 H1 GLY A 1 -41.502 -4.343 3.141 1.00 0.00 H new ATOM 0 H2 GLY A 1 -40.111 -5.311 3.238 1.00 0.00 H new ATOM 0 H3 GLY A 1 -40.445 -4.182 4.461 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -40.441 -2.753 2.128 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -39.265 -2.697 3.426 1.00 0.00 H new ATOM 8 N SER A 2 -38.145 -3.141 0.922 1.00 0.00 N ATOM 9 CA SER A 2 -37.132 -3.603 -0.020 1.00 0.00 C ATOM 10 C SER A 2 -36.224 -2.453 -0.446 1.00 0.00 C ATOM 11 O SER A 2 -36.692 -1.429 -0.943 1.00 0.00 O ATOM 12 CB SER A 2 -37.795 -4.227 -1.249 1.00 0.00 C ATOM 13 OG SER A 2 -38.656 -5.290 -0.879 1.00 0.00 O ATOM 0 H SER A 2 -38.370 -2.149 0.847 1.00 0.00 H new ATOM 0 HA SER A 2 -36.524 -4.358 0.478 1.00 0.00 H new ATOM 0 HB2 SER A 2 -38.361 -3.466 -1.786 1.00 0.00 H new ATOM 0 HB3 SER A 2 -37.029 -4.596 -1.931 1.00 0.00 H new ATOM 0 HG SER A 2 -39.069 -5.671 -1.682 1.00 0.00 H new ATOM 19 N SER A 3 -34.921 -2.631 -0.248 1.00 0.00 N ATOM 20 CA SER A 3 -33.946 -1.609 -0.609 1.00 0.00 C ATOM 21 C SER A 3 -33.392 -1.856 -2.009 1.00 0.00 C ATOM 22 O SER A 3 -33.646 -2.896 -2.614 1.00 0.00 O ATOM 23 CB SER A 3 -32.803 -1.583 0.408 1.00 0.00 C ATOM 24 OG SER A 3 -33.170 -0.861 1.570 1.00 0.00 O ATOM 0 H SER A 3 -34.517 -3.474 0.161 1.00 0.00 H new ATOM 0 HA SER A 3 -34.450 -0.643 -0.603 1.00 0.00 H new ATOM 0 HB2 SER A 3 -32.531 -2.603 0.681 1.00 0.00 H new ATOM 0 HB3 SER A 3 -31.921 -1.128 -0.043 1.00 0.00 H new ATOM 0 HG SER A 3 -32.423 -0.861 2.205 1.00 0.00 H new ATOM 30 N GLY A 4 -32.633 -0.889 -2.517 1.00 0.00 N ATOM 31 CA GLY A 4 -32.054 -1.020 -3.841 1.00 0.00 C ATOM 32 C GLY A 4 -30.554 -0.803 -3.842 1.00 0.00 C ATOM 33 O GLY A 4 -29.932 -0.717 -2.784 1.00 0.00 O ATOM 0 H GLY A 4 -32.409 -0.018 -2.035 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -32.275 -2.012 -4.234 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -32.523 -0.300 -4.512 1.00 0.00 H new ATOM 37 N SER A 5 -29.971 -0.717 -5.034 1.00 0.00 N ATOM 38 CA SER A 5 -28.533 -0.516 -5.168 1.00 0.00 C ATOM 39 C SER A 5 -28.201 0.157 -6.496 1.00 0.00 C ATOM 40 O SER A 5 -28.810 -0.139 -7.524 1.00 0.00 O ATOM 41 CB SER A 5 -27.797 -1.852 -5.062 1.00 0.00 C ATOM 42 OG SER A 5 -28.155 -2.539 -3.876 1.00 0.00 O ATOM 0 H SER A 5 -30.472 -0.783 -5.920 1.00 0.00 H new ATOM 0 HA SER A 5 -28.205 0.135 -4.358 1.00 0.00 H new ATOM 0 HB2 SER A 5 -28.032 -2.470 -5.929 1.00 0.00 H new ATOM 0 HB3 SER A 5 -26.721 -1.680 -5.075 1.00 0.00 H new ATOM 0 HG SER A 5 -27.672 -3.391 -3.833 1.00 0.00 H new ATOM 48 N SER A 6 -27.230 1.065 -6.466 1.00 0.00 N ATOM 49 CA SER A 6 -26.818 1.783 -7.667 1.00 0.00 C ATOM 50 C SER A 6 -25.560 2.605 -7.403 1.00 0.00 C ATOM 51 O SER A 6 -25.230 2.905 -6.256 1.00 0.00 O ATOM 52 CB SER A 6 -27.945 2.698 -8.151 1.00 0.00 C ATOM 53 OG SER A 6 -27.691 3.168 -9.463 1.00 0.00 O ATOM 0 H SER A 6 -26.714 1.321 -5.624 1.00 0.00 H new ATOM 0 HA SER A 6 -26.597 1.049 -8.442 1.00 0.00 H new ATOM 0 HB2 SER A 6 -28.891 2.157 -8.132 1.00 0.00 H new ATOM 0 HB3 SER A 6 -28.048 3.544 -7.472 1.00 0.00 H new ATOM 0 HG SER A 6 -28.426 3.749 -9.750 1.00 0.00 H new ATOM 59 N GLY A 7 -24.860 2.965 -8.475 1.00 0.00 N ATOM 60 CA GLY A 7 -23.646 3.748 -8.339 1.00 0.00 C ATOM 61 C GLY A 7 -23.477 4.755 -9.460 1.00 0.00 C ATOM 62 O GLY A 7 -24.459 5.238 -10.023 1.00 0.00 O ATOM 0 H GLY A 7 -25.112 2.728 -9.435 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -23.660 4.272 -7.383 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -22.786 3.079 -8.323 1.00 0.00 H new ATOM 66 N LYS A 8 -22.229 5.074 -9.783 1.00 0.00 N ATOM 67 CA LYS A 8 -21.933 6.031 -10.843 1.00 0.00 C ATOM 68 C LYS A 8 -20.633 5.670 -11.555 1.00 0.00 C ATOM 69 O LYS A 8 -19.570 5.616 -10.937 1.00 0.00 O ATOM 70 CB LYS A 8 -21.836 7.446 -10.269 1.00 0.00 C ATOM 71 CG LYS A 8 -21.861 8.535 -11.327 1.00 0.00 C ATOM 72 CD LYS A 8 -21.259 9.830 -10.808 1.00 0.00 C ATOM 73 CE LYS A 8 -22.192 10.525 -9.828 1.00 0.00 C ATOM 74 NZ LYS A 8 -21.827 11.955 -9.633 1.00 0.00 N ATOM 0 H LYS A 8 -21.405 4.684 -9.326 1.00 0.00 H new ATOM 0 HA LYS A 8 -22.746 5.995 -11.568 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -22.662 7.605 -9.576 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -20.915 7.533 -9.692 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -21.309 8.202 -12.206 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -22.889 8.712 -11.644 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -20.307 9.620 -10.320 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -21.048 10.495 -11.645 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -23.217 10.458 -10.193 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -22.161 10.008 -8.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -22.487 12.393 -8.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -20.858 12.018 -9.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -21.881 12.454 -10.544 1.00 0.00 H new ATOM 88 N ARG A 9 -20.726 5.424 -12.858 1.00 0.00 N ATOM 89 CA ARG A 9 -19.557 5.068 -13.654 1.00 0.00 C ATOM 90 C ARG A 9 -18.636 6.271 -13.833 1.00 0.00 C ATOM 91 O ARG A 9 -19.030 7.288 -14.403 1.00 0.00 O ATOM 92 CB ARG A 9 -19.988 4.534 -15.021 1.00 0.00 C ATOM 93 CG ARG A 9 -18.950 3.639 -15.679 1.00 0.00 C ATOM 94 CD ARG A 9 -19.297 3.361 -17.134 1.00 0.00 C ATOM 95 NE ARG A 9 -20.126 2.167 -17.280 1.00 0.00 N ATOM 96 CZ ARG A 9 -21.448 2.169 -17.151 1.00 0.00 C ATOM 97 NH1 ARG A 9 -22.088 3.297 -16.875 1.00 0.00 N ATOM 98 NH2 ARG A 9 -22.132 1.042 -17.299 1.00 0.00 N ATOM 0 H ARG A 9 -21.599 5.465 -13.385 1.00 0.00 H new ATOM 0 HA ARG A 9 -19.010 4.289 -13.123 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -20.917 3.976 -14.907 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -20.200 5.376 -15.680 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -17.970 4.113 -15.621 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -18.881 2.698 -15.134 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -19.822 4.220 -17.552 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -18.379 3.238 -17.709 1.00 0.00 H new ATOM 0 HE ARG A 9 -19.664 1.283 -17.493 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -21.565 4.165 -16.761 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -23.103 3.296 -16.776 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -21.643 0.173 -17.512 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -23.147 1.045 -17.200 1.00 0.00 H new ATOM 112 N SER A 10 -17.406 6.146 -13.343 1.00 0.00 N ATOM 113 CA SER A 10 -16.430 7.224 -13.445 1.00 0.00 C ATOM 114 C SER A 10 -15.082 6.693 -13.923 1.00 0.00 C ATOM 115 O SER A 10 -14.844 5.486 -13.924 1.00 0.00 O ATOM 116 CB SER A 10 -16.265 7.922 -12.093 1.00 0.00 C ATOM 117 OG SER A 10 -17.423 8.669 -11.761 1.00 0.00 O ATOM 0 H SER A 10 -17.063 5.309 -12.872 1.00 0.00 H new ATOM 0 HA SER A 10 -16.797 7.945 -14.176 1.00 0.00 H new ATOM 0 HB2 SER A 10 -16.072 7.180 -11.318 1.00 0.00 H new ATOM 0 HB3 SER A 10 -15.399 8.583 -12.124 1.00 0.00 H new ATOM 0 HG SER A 10 -17.294 9.104 -10.892 1.00 0.00 H new ATOM 123 N ASN A 11 -14.204 7.604 -14.329 1.00 0.00 N ATOM 124 CA ASN A 11 -12.879 7.228 -14.810 1.00 0.00 C ATOM 125 C ASN A 11 -11.946 6.913 -13.645 1.00 0.00 C ATOM 126 O ASN A 11 -11.403 5.812 -13.551 1.00 0.00 O ATOM 127 CB ASN A 11 -12.287 8.351 -15.664 1.00 0.00 C ATOM 128 CG ASN A 11 -12.757 8.291 -17.105 1.00 0.00 C ATOM 129 OD1 ASN A 11 -13.135 7.231 -17.603 1.00 0.00 O ATOM 130 ND2 ASN A 11 -12.735 9.434 -17.781 1.00 0.00 N ATOM 0 H ASN A 11 -14.386 8.608 -14.335 1.00 0.00 H new ATOM 0 HA ASN A 11 -12.982 6.331 -15.421 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -12.563 9.314 -15.235 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -11.199 8.290 -15.637 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -13.040 9.457 -18.754 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -12.414 10.289 -17.327 1.00 0.00 H new ATOM 137 N SER A 12 -11.766 7.887 -12.759 1.00 0.00 N ATOM 138 CA SER A 12 -10.896 7.715 -11.601 1.00 0.00 C ATOM 139 C SER A 12 -11.354 6.537 -10.747 1.00 0.00 C ATOM 140 O SER A 12 -12.391 5.929 -11.015 1.00 0.00 O ATOM 141 CB SER A 12 -10.874 8.993 -10.759 1.00 0.00 C ATOM 142 OG SER A 12 -9.866 8.931 -9.765 1.00 0.00 O ATOM 0 H SER A 12 -12.211 8.803 -12.821 1.00 0.00 H new ATOM 0 HA SER A 12 -9.888 7.509 -11.962 1.00 0.00 H new ATOM 0 HB2 SER A 12 -10.701 9.854 -11.404 1.00 0.00 H new ATOM 0 HB3 SER A 12 -11.846 9.138 -10.287 1.00 0.00 H new ATOM 0 HG SER A 12 -9.871 9.760 -9.242 1.00 0.00 H new ATOM 148 N ILE A 13 -10.575 6.222 -9.718 1.00 0.00 N ATOM 149 CA ILE A 13 -10.901 5.118 -8.824 1.00 0.00 C ATOM 150 C ILE A 13 -11.310 5.629 -7.446 1.00 0.00 C ATOM 151 O ILE A 13 -10.710 6.564 -6.915 1.00 0.00 O ATOM 152 CB ILE A 13 -9.713 4.150 -8.668 1.00 0.00 C ATOM 153 CG1 ILE A 13 -9.216 3.694 -10.041 1.00 0.00 C ATOM 154 CG2 ILE A 13 -10.113 2.953 -7.819 1.00 0.00 C ATOM 155 CD1 ILE A 13 -7.788 3.196 -10.032 1.00 0.00 C ATOM 0 H ILE A 13 -9.714 6.715 -9.483 1.00 0.00 H new ATOM 0 HA ILE A 13 -11.738 4.584 -9.274 1.00 0.00 H new ATOM 0 HB ILE A 13 -8.901 4.673 -8.163 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -9.867 2.901 -10.409 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -9.298 4.524 -10.742 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -9.263 2.278 -7.718 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -10.424 3.295 -6.832 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -10.939 2.427 -8.298 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -7.503 2.890 -11.039 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -7.126 3.994 -9.695 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -7.704 2.345 -9.356 1.00 0.00 H new ATOM 167 N LYS A 14 -12.334 5.008 -6.871 1.00 0.00 N ATOM 168 CA LYS A 14 -12.822 5.396 -5.553 1.00 0.00 C ATOM 169 C LYS A 14 -12.597 4.279 -4.538 1.00 0.00 C ATOM 170 O LYS A 14 -12.840 3.108 -4.827 1.00 0.00 O ATOM 171 CB LYS A 14 -14.311 5.745 -5.621 1.00 0.00 C ATOM 172 CG LYS A 14 -14.768 6.676 -4.511 1.00 0.00 C ATOM 173 CD LYS A 14 -14.743 5.985 -3.158 1.00 0.00 C ATOM 174 CE LYS A 14 -15.754 6.597 -2.200 1.00 0.00 C ATOM 175 NZ LYS A 14 -15.326 7.944 -1.729 1.00 0.00 N ATOM 0 H LYS A 14 -12.842 4.233 -7.297 1.00 0.00 H new ATOM 0 HA LYS A 14 -12.263 6.274 -5.230 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -14.523 6.209 -6.584 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -14.894 4.825 -5.575 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -14.124 7.555 -4.484 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -15.778 7.028 -4.722 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -14.958 4.924 -3.286 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -13.744 6.058 -2.729 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -16.722 6.676 -2.695 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -15.887 5.938 -1.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -16.041 8.328 -1.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -14.414 7.865 -1.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -15.223 8.581 -2.545 1.00 0.00 H new ATOM 189 N ARG A 15 -12.132 4.651 -3.350 1.00 0.00 N ATOM 190 CA ARG A 15 -11.874 3.680 -2.293 1.00 0.00 C ATOM 191 C ARG A 15 -13.116 3.472 -1.432 1.00 0.00 C ATOM 192 O ARG A 15 -13.941 4.373 -1.286 1.00 0.00 O ATOM 193 CB ARG A 15 -10.707 4.144 -1.419 1.00 0.00 C ATOM 194 CG ARG A 15 -10.633 3.436 -0.076 1.00 0.00 C ATOM 195 CD ARG A 15 -9.322 3.729 0.637 1.00 0.00 C ATOM 196 NE ARG A 15 -9.237 3.051 1.927 1.00 0.00 N ATOM 197 CZ ARG A 15 -9.878 3.460 3.016 1.00 0.00 C ATOM 198 NH1 ARG A 15 -10.648 4.539 2.970 1.00 0.00 N ATOM 199 NH2 ARG A 15 -9.751 2.789 4.154 1.00 0.00 N ATOM 0 H ARG A 15 -11.926 5.617 -3.095 1.00 0.00 H new ATOM 0 HA ARG A 15 -11.614 2.731 -2.761 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -9.774 3.981 -1.958 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -10.795 5.217 -1.250 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -11.467 3.753 0.550 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -10.736 2.361 -0.224 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -8.489 3.416 0.007 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -9.223 4.804 0.785 1.00 0.00 H new ATOM 0 HE ARG A 15 -8.653 2.217 1.996 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -10.749 5.057 2.097 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -11.139 4.851 3.808 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -9.161 1.958 4.193 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -10.244 3.104 4.990 1.00 0.00 H new ATOM 213 N ASN A 16 -13.242 2.277 -0.863 1.00 0.00 N ATOM 214 CA ASN A 16 -14.384 1.950 -0.017 1.00 0.00 C ATOM 215 C ASN A 16 -13.942 1.698 1.421 1.00 0.00 C ATOM 216 O ASN A 16 -13.546 0.592 1.790 1.00 0.00 O ATOM 217 CB ASN A 16 -15.113 0.719 -0.562 1.00 0.00 C ATOM 218 CG ASN A 16 -16.585 0.711 -0.199 1.00 0.00 C ATOM 219 OD1 ASN A 16 -17.333 1.614 -0.574 1.00 0.00 O ATOM 220 ND2 ASN A 16 -17.008 -0.312 0.535 1.00 0.00 N ATOM 0 H ASN A 16 -12.568 1.520 -0.973 1.00 0.00 H new ATOM 0 HA ASN A 16 -15.065 2.801 -0.025 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -15.009 0.689 -1.647 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -14.640 -0.182 -0.171 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -17.988 -0.371 0.810 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -16.352 -1.038 0.823 1.00 0.00 H new ATOM 227 N PRO A 17 -14.010 2.747 2.253 1.00 0.00 N ATOM 228 CA PRO A 17 -13.621 2.664 3.664 1.00 0.00 C ATOM 229 C PRO A 17 -14.144 1.399 4.336 1.00 0.00 C ATOM 230 O PRO A 17 -13.392 0.677 4.990 1.00 0.00 O ATOM 231 CB PRO A 17 -14.269 3.905 4.284 1.00 0.00 C ATOM 232 CG PRO A 17 -14.354 4.886 3.166 1.00 0.00 C ATOM 233 CD PRO A 17 -14.472 4.095 1.882 1.00 0.00 C ATOM 0 HA PRO A 17 -12.539 2.625 3.787 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -15.256 3.677 4.687 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -13.671 4.294 5.108 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -15.216 5.541 3.294 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -13.470 5.523 3.145 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -15.498 4.079 1.516 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -13.858 4.524 1.090 1.00 0.00 H new ATOM 241 N ASN A 18 -15.436 1.136 4.170 1.00 0.00 N ATOM 242 CA ASN A 18 -16.059 -0.043 4.761 1.00 0.00 C ATOM 243 C ASN A 18 -15.241 -1.296 4.463 1.00 0.00 C ATOM 244 O ASN A 18 -14.930 -2.074 5.364 1.00 0.00 O ATOM 245 CB ASN A 18 -17.484 -0.212 4.231 1.00 0.00 C ATOM 246 CG ASN A 18 -18.480 0.668 4.960 1.00 0.00 C ATOM 247 OD1 ASN A 18 -19.145 0.227 5.898 1.00 0.00 O ATOM 248 ND2 ASN A 18 -18.589 1.920 4.532 1.00 0.00 N ATOM 0 H ASN A 18 -16.072 1.723 3.631 1.00 0.00 H new ATOM 0 HA ASN A 18 -16.095 0.098 5.841 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -17.504 0.026 3.167 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -17.784 -1.255 4.330 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -19.244 2.558 4.984 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -18.018 2.244 3.751 1.00 0.00 H new ATOM 255 N ALA A 19 -14.897 -1.485 3.194 1.00 0.00 N ATOM 256 CA ALA A 19 -14.114 -2.641 2.778 1.00 0.00 C ATOM 257 C ALA A 19 -13.046 -2.981 3.811 1.00 0.00 C ATOM 258 O ALA A 19 -12.003 -2.333 3.897 1.00 0.00 O ATOM 259 CB ALA A 19 -13.477 -2.387 1.420 1.00 0.00 C ATOM 0 H ALA A 19 -15.149 -0.851 2.435 1.00 0.00 H new ATOM 0 HA ALA A 19 -14.787 -3.494 2.696 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -12.895 -3.259 1.122 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -14.257 -2.202 0.681 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -12.822 -1.518 1.482 1.00 0.00 H new ATOM 265 N PRO A 20 -13.309 -4.021 4.616 1.00 0.00 N ATOM 266 CA PRO A 20 -12.381 -4.470 5.658 1.00 0.00 C ATOM 267 C PRO A 20 -10.939 -4.524 5.167 1.00 0.00 C ATOM 268 O PRO A 20 -10.560 -5.425 4.419 1.00 0.00 O ATOM 269 CB PRO A 20 -12.882 -5.876 5.997 1.00 0.00 C ATOM 270 CG PRO A 20 -14.339 -5.845 5.684 1.00 0.00 C ATOM 271 CD PRO A 20 -14.532 -4.840 4.569 1.00 0.00 C ATOM 0 HA PRO A 20 -12.366 -3.790 6.510 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -12.366 -6.633 5.406 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -12.707 -6.116 7.046 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -14.689 -6.831 5.379 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -14.916 -5.560 6.564 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -14.647 -5.332 3.603 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -15.425 -4.235 4.727 1.00 0.00 H new ATOM 279 N VAL A 21 -10.137 -3.552 5.591 1.00 0.00 N ATOM 280 CA VAL A 21 -8.735 -3.489 5.196 1.00 0.00 C ATOM 281 C VAL A 21 -7.987 -4.746 5.624 1.00 0.00 C ATOM 282 O VAL A 21 -8.066 -5.167 6.778 1.00 0.00 O ATOM 283 CB VAL A 21 -8.036 -2.258 5.801 1.00 0.00 C ATOM 284 CG1 VAL A 21 -6.583 -2.195 5.354 1.00 0.00 C ATOM 285 CG2 VAL A 21 -8.775 -0.984 5.418 1.00 0.00 C ATOM 0 H VAL A 21 -10.435 -2.797 6.209 1.00 0.00 H new ATOM 0 HA VAL A 21 -8.716 -3.410 4.109 1.00 0.00 H new ATOM 0 HB VAL A 21 -8.054 -2.349 6.887 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.105 -1.318 5.792 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.062 -3.094 5.683 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.539 -2.127 4.267 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -8.267 -0.124 5.854 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -8.790 -0.885 4.333 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -9.798 -1.030 5.793 1.00 0.00 H new ATOM 295 N VAL A 22 -7.258 -5.343 4.686 1.00 0.00 N ATOM 296 CA VAL A 22 -6.493 -6.552 4.965 1.00 0.00 C ATOM 297 C VAL A 22 -5.276 -6.244 5.830 1.00 0.00 C ATOM 298 O VAL A 22 -5.042 -6.900 6.846 1.00 0.00 O ATOM 299 CB VAL A 22 -6.026 -7.234 3.666 1.00 0.00 C ATOM 300 CG1 VAL A 22 -5.257 -8.509 3.978 1.00 0.00 C ATOM 301 CG2 VAL A 22 -7.214 -7.526 2.761 1.00 0.00 C ATOM 0 H VAL A 22 -7.181 -5.008 3.726 1.00 0.00 H new ATOM 0 HA VAL A 22 -7.157 -7.229 5.503 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.356 -6.554 3.140 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -4.935 -8.977 3.048 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -4.384 -8.268 4.584 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -5.900 -9.197 4.526 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -6.866 -8.008 1.848 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -7.911 -8.187 3.277 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.718 -6.593 2.509 1.00 0.00 H new ATOM 311 N ARG A 23 -4.504 -5.243 5.421 1.00 0.00 N ATOM 312 CA ARG A 23 -3.310 -4.848 6.159 1.00 0.00 C ATOM 313 C ARG A 23 -2.680 -3.600 5.546 1.00 0.00 C ATOM 314 O ARG A 23 -2.566 -3.486 4.326 1.00 0.00 O ATOM 315 CB ARG A 23 -2.293 -5.991 6.174 1.00 0.00 C ATOM 316 CG ARG A 23 -1.362 -5.962 7.375 1.00 0.00 C ATOM 317 CD ARG A 23 -0.140 -6.839 7.154 1.00 0.00 C ATOM 318 NE ARG A 23 0.935 -6.120 6.474 1.00 0.00 N ATOM 319 CZ ARG A 23 1.627 -5.134 7.034 1.00 0.00 C ATOM 320 NH1 ARG A 23 1.360 -4.753 8.275 1.00 0.00 N ATOM 321 NH2 ARG A 23 2.590 -4.528 6.351 1.00 0.00 N ATOM 0 H ARG A 23 -4.684 -4.691 4.583 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.605 -4.619 7.183 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -2.827 -6.941 6.162 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.697 -5.948 5.262 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -1.045 -4.937 7.567 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -1.899 -6.301 8.261 1.00 0.00 H new ATOM 0 HD2 ARG A 23 0.221 -7.206 8.115 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -0.422 -7.711 6.565 1.00 0.00 H new ATOM 0 HE ARG A 23 1.167 -6.390 5.518 1.00 0.00 H new ATOM 0 HH11 ARG A 23 0.621 -5.217 8.803 1.00 0.00 H new ATOM 0 HH12 ARG A 23 1.893 -3.996 8.702 1.00 0.00 H new ATOM 0 HH21 ARG A 23 2.799 -4.819 5.396 1.00 0.00 H new ATOM 0 HH22 ARG A 23 3.121 -3.771 6.781 1.00 0.00 H new ATOM 335 N ARG A 24 -2.274 -2.668 6.402 1.00 0.00 N ATOM 336 CA ARG A 24 -1.658 -1.428 5.945 1.00 0.00 C ATOM 337 C ARG A 24 -0.288 -1.233 6.586 1.00 0.00 C ATOM 338 O ARG A 24 -0.142 -1.329 7.804 1.00 0.00 O ATOM 339 CB ARG A 24 -2.560 -0.235 6.271 1.00 0.00 C ATOM 340 CG ARG A 24 -2.974 -0.166 7.731 1.00 0.00 C ATOM 341 CD ARG A 24 -3.948 0.974 7.981 1.00 0.00 C ATOM 342 NE ARG A 24 -3.828 1.512 9.333 1.00 0.00 N ATOM 343 CZ ARG A 24 -4.719 2.331 9.881 1.00 0.00 C ATOM 344 NH1 ARG A 24 -5.790 2.704 9.195 1.00 0.00 N ATOM 345 NH2 ARG A 24 -4.540 2.777 11.117 1.00 0.00 N ATOM 0 H ARG A 24 -2.360 -2.748 7.415 1.00 0.00 H new ATOM 0 HA ARG A 24 -1.529 -1.493 4.865 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -2.040 0.686 6.006 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -3.455 -0.286 5.650 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -3.434 -1.110 8.025 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -2.090 -0.034 8.355 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -3.768 1.769 7.258 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -4.967 0.622 7.821 1.00 0.00 H new ATOM 0 HE ARG A 24 -3.015 1.244 9.888 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -5.931 2.362 8.244 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -6.473 3.333 9.618 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -3.717 2.491 11.648 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -5.225 3.406 11.536 1.00 0.00 H new ATOM 359 N GLY A 25 0.715 -0.960 5.757 1.00 0.00 N ATOM 360 CA GLY A 25 2.061 -0.757 6.261 1.00 0.00 C ATOM 361 C GLY A 25 2.942 -0.011 5.279 1.00 0.00 C ATOM 362 O GLY A 25 2.716 -0.063 4.070 1.00 0.00 O ATOM 0 H GLY A 25 0.619 -0.876 4.745 1.00 0.00 H new ATOM 0 HA2 GLY A 25 2.015 -0.201 7.198 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.511 -1.724 6.486 1.00 0.00 H new ATOM 366 N TRP A 26 3.946 0.685 5.798 1.00 0.00 N ATOM 367 CA TRP A 26 4.863 1.447 4.957 1.00 0.00 C ATOM 368 C TRP A 26 5.611 0.528 3.998 1.00 0.00 C ATOM 369 O TRP A 26 6.577 -0.133 4.381 1.00 0.00 O ATOM 370 CB TRP A 26 5.859 2.220 5.824 1.00 0.00 C ATOM 371 CG TRP A 26 5.224 3.319 6.621 1.00 0.00 C ATOM 372 CD1 TRP A 26 4.755 3.236 7.901 1.00 0.00 C ATOM 373 CD2 TRP A 26 4.987 4.663 6.191 1.00 0.00 C ATOM 374 NE1 TRP A 26 4.241 4.449 8.293 1.00 0.00 N ATOM 375 CE2 TRP A 26 4.372 5.341 7.262 1.00 0.00 C ATOM 376 CE3 TRP A 26 5.237 5.362 5.007 1.00 0.00 C ATOM 377 CZ2 TRP A 26 4.004 6.681 7.181 1.00 0.00 C ATOM 378 CZ3 TRP A 26 4.870 6.692 4.928 1.00 0.00 C ATOM 379 CH2 TRP A 26 4.260 7.341 6.009 1.00 0.00 C ATOM 0 H TRP A 26 4.147 0.738 6.797 1.00 0.00 H new ATOM 0 HA TRP A 26 4.277 2.155 4.370 1.00 0.00 H new ATOM 0 HB2 TRP A 26 6.353 1.526 6.504 1.00 0.00 H new ATOM 0 HB3 TRP A 26 6.633 2.645 5.185 1.00 0.00 H new ATOM 0 HD1 TRP A 26 4.784 2.348 8.515 1.00 0.00 H new ATOM 0 HE1 TRP A 26 3.829 4.652 9.204 1.00 0.00 H new ATOM 0 HE3 TRP A 26 5.709 4.871 4.168 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 3.533 7.183 8.013 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 5.057 7.241 4.017 1.00 0.00 H new ATOM 0 HH2 TRP A 26 3.986 8.382 5.916 1.00 0.00 H new ATOM 390 N LEU A 27 5.161 0.492 2.748 1.00 0.00 N ATOM 391 CA LEU A 27 5.789 -0.345 1.733 1.00 0.00 C ATOM 392 C LEU A 27 6.710 0.480 0.839 1.00 0.00 C ATOM 393 O LEU A 27 6.437 1.647 0.559 1.00 0.00 O ATOM 394 CB LEU A 27 4.722 -1.038 0.883 1.00 0.00 C ATOM 395 CG LEU A 27 5.215 -2.160 -0.030 1.00 0.00 C ATOM 396 CD1 LEU A 27 5.780 -3.309 0.792 1.00 0.00 C ATOM 397 CD2 LEU A 27 4.090 -2.649 -0.930 1.00 0.00 C ATOM 0 H LEU A 27 4.363 1.033 2.414 1.00 0.00 H new ATOM 0 HA LEU A 27 6.388 -1.101 2.241 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.964 -1.447 1.551 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.231 -0.285 0.267 1.00 0.00 H new ATOM 0 HG LEU A 27 6.012 -1.765 -0.660 1.00 0.00 H new ATOM 0 HD11 LEU A 27 6.126 -4.098 0.125 1.00 0.00 H new ATOM 0 HD12 LEU A 27 6.615 -2.950 1.393 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.004 -3.703 1.448 1.00 0.00 H new ATOM 0 HD21 LEU A 27 4.460 -3.448 -1.573 1.00 0.00 H new ATOM 0 HD22 LEU A 27 3.271 -3.026 -0.317 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.732 -1.824 -1.546 1.00 0.00 H new ATOM 409 N TYR A 28 7.800 -0.135 0.394 1.00 0.00 N ATOM 410 CA TYR A 28 8.761 0.542 -0.468 1.00 0.00 C ATOM 411 C TYR A 28 8.473 0.254 -1.938 1.00 0.00 C ATOM 412 O TYR A 28 8.185 -0.882 -2.316 1.00 0.00 O ATOM 413 CB TYR A 28 10.186 0.105 -0.121 1.00 0.00 C ATOM 414 CG TYR A 28 10.541 0.301 1.336 1.00 0.00 C ATOM 415 CD1 TYR A 28 10.851 1.561 1.833 1.00 0.00 C ATOM 416 CD2 TYR A 28 10.565 -0.774 2.216 1.00 0.00 C ATOM 417 CE1 TYR A 28 11.176 1.744 3.163 1.00 0.00 C ATOM 418 CE2 TYR A 28 10.889 -0.600 3.548 1.00 0.00 C ATOM 419 CZ TYR A 28 11.194 0.660 4.016 1.00 0.00 C ATOM 420 OH TYR A 28 11.516 0.839 5.342 1.00 0.00 O ATOM 0 H TYR A 28 8.040 -1.101 0.616 1.00 0.00 H new ATOM 0 HA TYR A 28 8.666 1.615 -0.302 1.00 0.00 H new ATOM 0 HB2 TYR A 28 10.307 -0.947 -0.377 1.00 0.00 H new ATOM 0 HB3 TYR A 28 10.889 0.666 -0.736 1.00 0.00 H new ATOM 0 HD1 TYR A 28 10.838 2.412 1.168 1.00 0.00 H new ATOM 0 HD2 TYR A 28 10.326 -1.763 1.853 1.00 0.00 H new ATOM 0 HE1 TYR A 28 11.415 2.730 3.533 1.00 0.00 H new ATOM 0 HE2 TYR A 28 10.903 -1.447 4.219 1.00 0.00 H new ATOM 0 HH TYR A 28 11.482 -0.023 5.806 1.00 0.00 H new ATOM 430 N LYS A 29 8.554 1.291 -2.764 1.00 0.00 N ATOM 431 CA LYS A 29 8.305 1.152 -4.194 1.00 0.00 C ATOM 432 C LYS A 29 9.496 1.651 -5.005 1.00 0.00 C ATOM 433 O LYS A 29 10.249 2.513 -4.553 1.00 0.00 O ATOM 434 CB LYS A 29 7.045 1.925 -4.591 1.00 0.00 C ATOM 435 CG LYS A 29 6.581 1.646 -6.010 1.00 0.00 C ATOM 436 CD LYS A 29 5.092 1.903 -6.170 1.00 0.00 C ATOM 437 CE LYS A 29 4.806 3.375 -6.430 1.00 0.00 C ATOM 438 NZ LYS A 29 5.333 3.818 -7.750 1.00 0.00 N ATOM 0 H LYS A 29 8.790 2.238 -2.468 1.00 0.00 H new ATOM 0 HA LYS A 29 8.158 0.094 -4.410 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.241 1.673 -3.899 1.00 0.00 H new ATOM 0 HB3 LYS A 29 7.235 2.993 -4.483 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.137 2.275 -6.706 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.802 0.611 -6.269 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.705 1.305 -6.995 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.567 1.583 -5.270 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.731 3.548 -6.392 1.00 0.00 H new ATOM 0 HE3 LYS A 29 5.254 3.977 -5.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.800 4.650 -8.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 6.339 4.065 -7.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.228 3.048 -8.442 1.00 0.00 H new ATOM 452 N GLN A 30 9.660 1.104 -6.206 1.00 0.00 N ATOM 453 CA GLN A 30 10.760 1.495 -7.079 1.00 0.00 C ATOM 454 C GLN A 30 10.261 2.374 -8.222 1.00 0.00 C ATOM 455 O GLN A 30 9.095 2.300 -8.611 1.00 0.00 O ATOM 456 CB GLN A 30 11.458 0.256 -7.641 1.00 0.00 C ATOM 457 CG GLN A 30 12.808 0.553 -8.274 1.00 0.00 C ATOM 458 CD GLN A 30 13.619 -0.701 -8.535 1.00 0.00 C ATOM 459 OE1 GLN A 30 13.185 -1.595 -9.263 1.00 0.00 O ATOM 460 NE2 GLN A 30 14.804 -0.775 -7.940 1.00 0.00 N ATOM 0 H GLN A 30 9.045 0.389 -6.596 1.00 0.00 H new ATOM 0 HA GLN A 30 11.474 2.069 -6.488 1.00 0.00 H new ATOM 0 HB2 GLN A 30 11.594 -0.469 -6.839 1.00 0.00 H new ATOM 0 HB3 GLN A 30 10.811 -0.209 -8.385 1.00 0.00 H new ATOM 0 HG2 GLN A 30 12.655 1.084 -9.213 1.00 0.00 H new ATOM 0 HG3 GLN A 30 13.373 1.217 -7.620 1.00 0.00 H new ATOM 0 HE21 GLN A 30 15.124 -0.011 -7.345 1.00 0.00 H new ATOM 0 HE22 GLN A 30 15.394 -1.596 -8.078 1.00 0.00 H new ATOM 469 N ASP A 31 11.151 3.204 -8.755 1.00 0.00 N ATOM 470 CA ASP A 31 10.802 4.096 -9.854 1.00 0.00 C ATOM 471 C ASP A 31 10.971 3.395 -11.198 1.00 0.00 C ATOM 472 O ASP A 31 11.571 2.324 -11.279 1.00 0.00 O ATOM 473 CB ASP A 31 11.666 5.357 -9.810 1.00 0.00 C ATOM 474 CG ASP A 31 10.964 6.562 -10.405 1.00 0.00 C ATOM 475 OD1 ASP A 31 9.717 6.604 -10.359 1.00 0.00 O ATOM 476 OD2 ASP A 31 11.662 7.463 -10.916 1.00 0.00 O ATOM 0 H ASP A 31 12.120 3.277 -8.444 1.00 0.00 H new ATOM 0 HA ASP A 31 9.755 4.378 -9.741 1.00 0.00 H new ATOM 0 HB2 ASP A 31 11.937 5.572 -8.776 1.00 0.00 H new ATOM 0 HB3 ASP A 31 12.594 5.177 -10.352 1.00 0.00 H new ATOM 481 N SER A 32 10.437 4.007 -12.250 1.00 0.00 N ATOM 482 CA SER A 32 10.525 3.440 -13.591 1.00 0.00 C ATOM 483 C SER A 32 11.295 4.368 -14.525 1.00 0.00 C ATOM 484 O SER A 32 10.900 4.584 -15.671 1.00 0.00 O ATOM 485 CB SER A 32 9.124 3.181 -14.151 1.00 0.00 C ATOM 486 OG SER A 32 8.399 2.293 -13.319 1.00 0.00 O ATOM 0 H SER A 32 9.939 4.896 -12.200 1.00 0.00 H new ATOM 0 HA SER A 32 11.063 2.494 -13.524 1.00 0.00 H new ATOM 0 HB2 SER A 32 8.584 4.124 -14.240 1.00 0.00 H new ATOM 0 HB3 SER A 32 9.202 2.763 -15.155 1.00 0.00 H new ATOM 0 HG SER A 32 7.442 2.496 -13.379 1.00 0.00 H new ATOM 492 N THR A 33 12.399 4.917 -14.026 1.00 0.00 N ATOM 493 CA THR A 33 13.225 5.823 -14.813 1.00 0.00 C ATOM 494 C THR A 33 14.495 6.203 -14.061 1.00 0.00 C ATOM 495 O THR A 33 14.498 6.290 -12.834 1.00 0.00 O ATOM 496 CB THR A 33 12.456 7.106 -15.183 1.00 0.00 C ATOM 497 OG1 THR A 33 13.378 8.156 -15.494 1.00 0.00 O ATOM 498 CG2 THR A 33 11.549 7.541 -14.042 1.00 0.00 C ATOM 0 H THR A 33 12.741 4.749 -13.080 1.00 0.00 H new ATOM 0 HA THR A 33 13.493 5.293 -15.727 1.00 0.00 H new ATOM 0 HB THR A 33 11.838 6.895 -16.056 1.00 0.00 H new ATOM 0 HG1 THR A 33 12.882 8.968 -15.730 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.017 8.449 -14.326 1.00 0.00 H new ATOM 0 HG22 THR A 33 10.830 6.751 -13.827 1.00 0.00 H new ATOM 0 HG23 THR A 33 12.150 7.736 -13.154 1.00 0.00 H new ATOM 506 N GLY A 34 15.573 6.431 -14.805 1.00 0.00 N ATOM 507 CA GLY A 34 16.834 6.800 -14.190 1.00 0.00 C ATOM 508 C GLY A 34 17.255 5.831 -13.103 1.00 0.00 C ATOM 509 O GLY A 34 17.321 4.624 -13.330 1.00 0.00 O ATOM 0 H GLY A 34 15.595 6.367 -15.823 1.00 0.00 H new ATOM 0 HA2 GLY A 34 17.609 6.842 -14.955 1.00 0.00 H new ATOM 0 HA3 GLY A 34 16.749 7.801 -13.767 1.00 0.00 H new ATOM 513 N MET A 35 17.542 6.362 -11.918 1.00 0.00 N ATOM 514 CA MET A 35 17.959 5.534 -10.792 1.00 0.00 C ATOM 515 C MET A 35 16.799 4.686 -10.282 1.00 0.00 C ATOM 516 O MET A 35 15.689 5.183 -10.091 1.00 0.00 O ATOM 517 CB MET A 35 18.501 6.411 -9.661 1.00 0.00 C ATOM 518 CG MET A 35 19.971 6.764 -9.818 1.00 0.00 C ATOM 519 SD MET A 35 20.224 8.290 -10.745 1.00 0.00 S ATOM 520 CE MET A 35 20.978 9.326 -9.494 1.00 0.00 C ATOM 0 H MET A 35 17.493 7.360 -11.713 1.00 0.00 H new ATOM 0 HA MET A 35 18.749 4.867 -11.136 1.00 0.00 H new ATOM 0 HB2 MET A 35 17.918 7.331 -9.614 1.00 0.00 H new ATOM 0 HB3 MET A 35 18.359 5.895 -8.712 1.00 0.00 H new ATOM 0 HG2 MET A 35 20.424 6.863 -8.832 1.00 0.00 H new ATOM 0 HG3 MET A 35 20.485 5.947 -10.324 1.00 0.00 H new ATOM 0 HE1 MET A 35 21.195 10.307 -9.916 1.00 0.00 H new ATOM 0 HE2 MET A 35 20.294 9.436 -8.652 1.00 0.00 H new ATOM 0 HE3 MET A 35 21.905 8.866 -9.151 1.00 0.00 H new ATOM 530 N LYS A 36 17.063 3.402 -10.062 1.00 0.00 N ATOM 531 CA LYS A 36 16.042 2.483 -9.573 1.00 0.00 C ATOM 532 C LYS A 36 16.169 2.280 -8.066 1.00 0.00 C ATOM 533 O LYS A 36 16.509 1.190 -7.603 1.00 0.00 O ATOM 534 CB LYS A 36 16.152 1.136 -10.291 1.00 0.00 C ATOM 535 CG LYS A 36 15.318 1.053 -11.558 1.00 0.00 C ATOM 536 CD LYS A 36 15.893 1.924 -12.662 1.00 0.00 C ATOM 537 CE LYS A 36 15.099 1.785 -13.952 1.00 0.00 C ATOM 538 NZ LYS A 36 15.513 0.587 -14.733 1.00 0.00 N ATOM 0 H LYS A 36 17.976 2.974 -10.215 1.00 0.00 H new ATOM 0 HA LYS A 36 15.066 2.920 -9.782 1.00 0.00 H new ATOM 0 HB2 LYS A 36 17.197 0.951 -10.541 1.00 0.00 H new ATOM 0 HB3 LYS A 36 15.842 0.344 -9.609 1.00 0.00 H new ATOM 0 HG2 LYS A 36 15.271 0.018 -11.897 1.00 0.00 H new ATOM 0 HG3 LYS A 36 14.296 1.364 -11.343 1.00 0.00 H new ATOM 0 HD2 LYS A 36 15.891 2.966 -12.343 1.00 0.00 H new ATOM 0 HD3 LYS A 36 16.932 1.647 -12.841 1.00 0.00 H new ATOM 0 HE2 LYS A 36 14.036 1.717 -13.719 1.00 0.00 H new ATOM 0 HE3 LYS A 36 15.235 2.679 -14.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 14.948 0.528 -15.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 16.521 0.664 -14.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 15.360 -0.269 -14.163 1.00 0.00 H new ATOM 552 N LEU A 37 15.893 3.334 -7.306 1.00 0.00 N ATOM 553 CA LEU A 37 15.976 3.271 -5.851 1.00 0.00 C ATOM 554 C LEU A 37 14.619 2.929 -5.243 1.00 0.00 C ATOM 555 O LEU A 37 13.627 2.782 -5.958 1.00 0.00 O ATOM 556 CB LEU A 37 16.478 4.602 -5.291 1.00 0.00 C ATOM 557 CG LEU A 37 17.757 5.156 -5.920 1.00 0.00 C ATOM 558 CD1 LEU A 37 17.827 6.665 -5.748 1.00 0.00 C ATOM 559 CD2 LEU A 37 18.982 4.491 -5.311 1.00 0.00 C ATOM 0 H LEU A 37 15.610 4.243 -7.673 1.00 0.00 H new ATOM 0 HA LEU A 37 16.681 2.484 -5.585 1.00 0.00 H new ATOM 0 HB2 LEU A 37 15.688 5.344 -5.409 1.00 0.00 H new ATOM 0 HB3 LEU A 37 16.646 4.483 -4.221 1.00 0.00 H new ATOM 0 HG LEU A 37 17.740 4.933 -6.987 1.00 0.00 H new ATOM 0 HD11 LEU A 37 18.744 7.041 -6.202 1.00 0.00 H new ATOM 0 HD12 LEU A 37 16.967 7.127 -6.232 1.00 0.00 H new ATOM 0 HD13 LEU A 37 17.821 6.911 -4.686 1.00 0.00 H new ATOM 0 HD21 LEU A 37 19.883 4.897 -5.771 1.00 0.00 H new ATOM 0 HD22 LEU A 37 19.004 4.682 -4.238 1.00 0.00 H new ATOM 0 HD23 LEU A 37 18.938 3.416 -5.487 1.00 0.00 H new ATOM 571 N TRP A 38 14.583 2.807 -3.922 1.00 0.00 N ATOM 572 CA TRP A 38 13.347 2.486 -3.217 1.00 0.00 C ATOM 573 C TRP A 38 12.839 3.690 -2.432 1.00 0.00 C ATOM 574 O TRP A 38 13.560 4.258 -1.611 1.00 0.00 O ATOM 575 CB TRP A 38 13.567 1.302 -2.274 1.00 0.00 C ATOM 576 CG TRP A 38 14.151 0.101 -2.954 1.00 0.00 C ATOM 577 CD1 TRP A 38 15.476 -0.205 -3.082 1.00 0.00 C ATOM 578 CD2 TRP A 38 13.429 -0.953 -3.602 1.00 0.00 C ATOM 579 NE1 TRP A 38 15.621 -1.386 -3.770 1.00 0.00 N ATOM 580 CE2 TRP A 38 14.381 -1.865 -4.099 1.00 0.00 C ATOM 581 CE3 TRP A 38 12.073 -1.216 -3.808 1.00 0.00 C ATOM 582 CZ2 TRP A 38 14.017 -3.018 -4.789 1.00 0.00 C ATOM 583 CZ3 TRP A 38 11.713 -2.361 -4.493 1.00 0.00 C ATOM 584 CH2 TRP A 38 12.681 -3.250 -4.977 1.00 0.00 C ATOM 0 H TRP A 38 15.395 2.925 -3.317 1.00 0.00 H new ATOM 0 HA TRP A 38 12.595 2.216 -3.958 1.00 0.00 H new ATOM 0 HB2 TRP A 38 14.229 1.610 -1.464 1.00 0.00 H new ATOM 0 HB3 TRP A 38 12.615 1.027 -1.820 1.00 0.00 H new ATOM 0 HD1 TRP A 38 16.290 0.393 -2.699 1.00 0.00 H new ATOM 0 HE1 TRP A 38 16.509 -1.833 -3.999 1.00 0.00 H new ATOM 0 HE3 TRP A 38 11.319 -0.537 -3.439 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 14.762 -3.705 -5.163 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 10.667 -2.574 -4.658 1.00 0.00 H new ATOM 0 HH2 TRP A 38 12.367 -4.136 -5.509 1.00 0.00 H new ATOM 595 N LYS A 39 11.593 4.075 -2.688 1.00 0.00 N ATOM 596 CA LYS A 39 10.987 5.211 -2.004 1.00 0.00 C ATOM 597 C LYS A 39 10.161 4.749 -0.809 1.00 0.00 C ATOM 598 O LYS A 39 9.854 3.564 -0.674 1.00 0.00 O ATOM 599 CB LYS A 39 10.105 6.004 -2.972 1.00 0.00 C ATOM 600 CG LYS A 39 10.851 7.095 -3.720 1.00 0.00 C ATOM 601 CD LYS A 39 11.427 6.581 -5.028 1.00 0.00 C ATOM 602 CE LYS A 39 12.834 6.033 -4.841 1.00 0.00 C ATOM 603 NZ LYS A 39 13.543 5.870 -6.140 1.00 0.00 N ATOM 0 H LYS A 39 10.983 3.616 -3.365 1.00 0.00 H new ATOM 0 HA LYS A 39 11.788 5.855 -1.642 1.00 0.00 H new ATOM 0 HB2 LYS A 39 9.663 5.317 -3.694 1.00 0.00 H new ATOM 0 HB3 LYS A 39 9.283 6.454 -2.416 1.00 0.00 H new ATOM 0 HG2 LYS A 39 10.176 7.927 -3.921 1.00 0.00 H new ATOM 0 HG3 LYS A 39 11.655 7.482 -3.094 1.00 0.00 H new ATOM 0 HD2 LYS A 39 10.781 5.800 -5.429 1.00 0.00 H new ATOM 0 HD3 LYS A 39 11.444 7.388 -5.761 1.00 0.00 H new ATOM 0 HE2 LYS A 39 13.403 6.705 -4.199 1.00 0.00 H new ATOM 0 HE3 LYS A 39 12.784 5.071 -4.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 13.833 4.878 -6.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 12.907 6.137 -6.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 14.385 6.481 -6.155 1.00 0.00 H new ATOM 617 N LYS A 40 9.802 5.691 0.057 1.00 0.00 N ATOM 618 CA LYS A 40 9.008 5.382 1.240 1.00 0.00 C ATOM 619 C LYS A 40 7.659 6.092 1.191 1.00 0.00 C ATOM 620 O LYS A 40 7.594 7.311 1.032 1.00 0.00 O ATOM 621 CB LYS A 40 9.765 5.788 2.507 1.00 0.00 C ATOM 622 CG LYS A 40 8.935 5.671 3.774 1.00 0.00 C ATOM 623 CD LYS A 40 9.006 4.270 4.360 1.00 0.00 C ATOM 624 CE LYS A 40 8.468 4.233 5.782 1.00 0.00 C ATOM 625 NZ LYS A 40 8.707 2.914 6.431 1.00 0.00 N ATOM 0 H LYS A 40 10.049 6.676 -0.039 1.00 0.00 H new ATOM 0 HA LYS A 40 8.832 4.307 1.258 1.00 0.00 H new ATOM 0 HB2 LYS A 40 10.653 5.164 2.605 1.00 0.00 H new ATOM 0 HB3 LYS A 40 10.109 6.817 2.401 1.00 0.00 H new ATOM 0 HG2 LYS A 40 9.289 6.393 4.510 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.897 5.923 3.555 1.00 0.00 H new ATOM 0 HD2 LYS A 40 8.434 3.584 3.735 1.00 0.00 H new ATOM 0 HD3 LYS A 40 10.039 3.923 4.352 1.00 0.00 H new ATOM 0 HE2 LYS A 40 8.942 5.019 6.370 1.00 0.00 H new ATOM 0 HE3 LYS A 40 7.399 4.444 5.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 8.069 2.807 7.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 8.526 2.152 5.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 9.694 2.860 6.756 1.00 0.00 H new ATOM 639 N ARG A 41 6.585 5.322 1.331 1.00 0.00 N ATOM 640 CA ARG A 41 5.238 5.877 1.302 1.00 0.00 C ATOM 641 C ARG A 41 4.256 4.960 2.026 1.00 0.00 C ATOM 642 O ARG A 41 4.483 3.755 2.136 1.00 0.00 O ATOM 643 CB ARG A 41 4.782 6.092 -0.142 1.00 0.00 C ATOM 644 CG ARG A 41 3.730 7.180 -0.293 1.00 0.00 C ATOM 645 CD ARG A 41 4.366 8.540 -0.531 1.00 0.00 C ATOM 646 NE ARG A 41 4.753 9.190 0.718 1.00 0.00 N ATOM 647 CZ ARG A 41 5.085 10.473 0.808 1.00 0.00 C ATOM 648 NH1 ARG A 41 5.077 11.240 -0.274 1.00 0.00 N ATOM 649 NH2 ARG A 41 5.425 10.992 1.981 1.00 0.00 N ATOM 0 H ARG A 41 6.622 4.312 1.466 1.00 0.00 H new ATOM 0 HA ARG A 41 5.258 6.838 1.816 1.00 0.00 H new ATOM 0 HB2 ARG A 41 5.648 6.348 -0.753 1.00 0.00 H new ATOM 0 HB3 ARG A 41 4.383 5.156 -0.531 1.00 0.00 H new ATOM 0 HG2 ARG A 41 3.069 6.936 -1.125 1.00 0.00 H new ATOM 0 HG3 ARG A 41 3.113 7.218 0.604 1.00 0.00 H new ATOM 0 HD2 ARG A 41 5.244 8.423 -1.166 1.00 0.00 H new ATOM 0 HD3 ARG A 41 3.666 9.178 -1.070 1.00 0.00 H new ATOM 0 HE ARG A 41 4.769 8.628 1.569 1.00 0.00 H new ATOM 0 HH11 ARG A 41 4.816 10.845 -1.177 1.00 0.00 H new ATOM 0 HH12 ARG A 41 5.332 12.225 -0.203 1.00 0.00 H new ATOM 0 HH21 ARG A 41 5.432 10.406 2.815 1.00 0.00 H new ATOM 0 HH22 ARG A 41 5.680 11.977 2.048 1.00 0.00 H new ATOM 663 N TRP A 42 3.166 5.539 2.517 1.00 0.00 N ATOM 664 CA TRP A 42 2.150 4.774 3.231 1.00 0.00 C ATOM 665 C TRP A 42 1.231 4.047 2.255 1.00 0.00 C ATOM 666 O TRP A 42 0.614 4.667 1.389 1.00 0.00 O ATOM 667 CB TRP A 42 1.329 5.695 4.134 1.00 0.00 C ATOM 668 CG TRP A 42 0.349 4.961 4.998 1.00 0.00 C ATOM 669 CD1 TRP A 42 -1.007 5.123 5.019 1.00 0.00 C ATOM 670 CD2 TRP A 42 0.649 3.950 5.967 1.00 0.00 C ATOM 671 NE1 TRP A 42 -1.568 4.274 5.943 1.00 0.00 N ATOM 672 CE2 TRP A 42 -0.573 3.543 6.537 1.00 0.00 C ATOM 673 CE3 TRP A 42 1.831 3.348 6.407 1.00 0.00 C ATOM 674 CZ2 TRP A 42 -0.644 2.564 7.524 1.00 0.00 C ATOM 675 CZ3 TRP A 42 1.759 2.376 7.386 1.00 0.00 C ATOM 676 CH2 TRP A 42 0.529 1.991 7.936 1.00 0.00 C ATOM 0 H TRP A 42 2.963 6.535 2.434 1.00 0.00 H new ATOM 0 HA TRP A 42 2.656 4.031 3.847 1.00 0.00 H new ATOM 0 HB2 TRP A 42 2.006 6.266 4.769 1.00 0.00 H new ATOM 0 HB3 TRP A 42 0.790 6.413 3.515 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -1.558 5.816 4.400 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -2.564 4.200 6.152 1.00 0.00 H new ATOM 0 HE3 TRP A 42 2.784 3.638 5.989 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -1.591 2.267 7.950 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 2.666 1.905 7.734 1.00 0.00 H new ATOM 0 HH2 TRP A 42 0.506 1.228 8.700 1.00 0.00 H new ATOM 687 N PHE A 43 1.144 2.729 2.401 1.00 0.00 N ATOM 688 CA PHE A 43 0.300 1.917 1.532 1.00 0.00 C ATOM 689 C PHE A 43 -0.824 1.259 2.325 1.00 0.00 C ATOM 690 O PHE A 43 -0.777 1.194 3.554 1.00 0.00 O ATOM 691 CB PHE A 43 1.137 0.847 0.828 1.00 0.00 C ATOM 692 CG PHE A 43 1.759 1.320 -0.455 1.00 0.00 C ATOM 693 CD1 PHE A 43 2.971 1.990 -0.447 1.00 0.00 C ATOM 694 CD2 PHE A 43 1.131 1.094 -1.669 1.00 0.00 C ATOM 695 CE1 PHE A 43 3.547 2.427 -1.625 1.00 0.00 C ATOM 696 CE2 PHE A 43 1.702 1.527 -2.851 1.00 0.00 C ATOM 697 CZ PHE A 43 2.911 2.196 -2.829 1.00 0.00 C ATOM 0 H PHE A 43 1.648 2.200 3.113 1.00 0.00 H new ATOM 0 HA PHE A 43 -0.144 2.573 0.783 1.00 0.00 H new ATOM 0 HB2 PHE A 43 1.925 0.512 1.502 1.00 0.00 H new ATOM 0 HB3 PHE A 43 0.506 -0.017 0.620 1.00 0.00 H new ATOM 0 HD1 PHE A 43 3.473 2.173 0.492 1.00 0.00 H new ATOM 0 HD2 PHE A 43 0.185 0.574 -1.692 1.00 0.00 H new ATOM 0 HE1 PHE A 43 4.493 2.948 -1.604 1.00 0.00 H new ATOM 0 HE2 PHE A 43 1.204 1.343 -3.791 1.00 0.00 H new ATOM 0 HZ PHE A 43 3.357 2.537 -3.751 1.00 0.00 H new ATOM 707 N VAL A 44 -1.836 0.772 1.614 1.00 0.00 N ATOM 708 CA VAL A 44 -2.974 0.119 2.250 1.00 0.00 C ATOM 709 C VAL A 44 -3.611 -0.905 1.318 1.00 0.00 C ATOM 710 O VAL A 44 -3.805 -0.644 0.130 1.00 0.00 O ATOM 711 CB VAL A 44 -4.042 1.142 2.678 1.00 0.00 C ATOM 712 CG1 VAL A 44 -5.270 0.434 3.230 1.00 0.00 C ATOM 713 CG2 VAL A 44 -3.470 2.111 3.702 1.00 0.00 C ATOM 0 H VAL A 44 -1.891 0.817 0.596 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.593 -0.388 3.136 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.346 1.713 1.800 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -6.014 1.174 3.527 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -5.691 -0.216 2.463 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.987 -0.164 4.096 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.238 2.827 3.994 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.137 1.558 4.580 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -2.624 2.643 3.267 1.00 0.00 H new ATOM 723 N LEU A 45 -3.937 -2.072 1.864 1.00 0.00 N ATOM 724 CA LEU A 45 -4.554 -3.137 1.081 1.00 0.00 C ATOM 725 C LEU A 45 -6.034 -3.277 1.424 1.00 0.00 C ATOM 726 O LEU A 45 -6.394 -3.897 2.424 1.00 0.00 O ATOM 727 CB LEU A 45 -3.834 -4.463 1.330 1.00 0.00 C ATOM 728 CG LEU A 45 -3.826 -5.452 0.164 1.00 0.00 C ATOM 729 CD1 LEU A 45 -5.157 -6.184 0.077 1.00 0.00 C ATOM 730 CD2 LEU A 45 -3.524 -4.734 -1.143 1.00 0.00 C ATOM 0 H LEU A 45 -3.784 -2.304 2.845 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.467 -2.876 0.026 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.801 -4.247 1.604 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.297 -4.949 2.189 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.041 -6.187 0.341 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.133 -6.884 -0.758 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -5.333 -6.731 1.003 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.960 -5.463 -0.076 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.522 -5.454 -1.962 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.286 -3.977 -1.327 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.546 -4.256 -1.078 1.00 0.00 H new ATOM 742 N SER A 46 -6.888 -2.698 0.585 1.00 0.00 N ATOM 743 CA SER A 46 -8.329 -2.757 0.800 1.00 0.00 C ATOM 744 C SER A 46 -9.070 -2.901 -0.526 1.00 0.00 C ATOM 745 O SER A 46 -8.597 -2.445 -1.567 1.00 0.00 O ATOM 746 CB SER A 46 -8.808 -1.502 1.532 1.00 0.00 C ATOM 747 OG SER A 46 -10.191 -1.583 1.832 1.00 0.00 O ATOM 0 H SER A 46 -6.607 -2.183 -0.249 1.00 0.00 H new ATOM 0 HA SER A 46 -8.545 -3.631 1.414 1.00 0.00 H new ATOM 0 HB2 SER A 46 -8.240 -1.375 2.453 1.00 0.00 H new ATOM 0 HB3 SER A 46 -8.617 -0.623 0.916 1.00 0.00 H new ATOM 0 HG SER A 46 -10.309 -1.947 2.734 1.00 0.00 H new ATOM 753 N ASP A 47 -10.235 -3.537 -0.478 1.00 0.00 N ATOM 754 CA ASP A 47 -11.044 -3.741 -1.674 1.00 0.00 C ATOM 755 C ASP A 47 -10.218 -4.376 -2.788 1.00 0.00 C ATOM 756 O ASP A 47 -10.367 -4.032 -3.961 1.00 0.00 O ATOM 757 CB ASP A 47 -11.630 -2.411 -2.152 1.00 0.00 C ATOM 758 CG ASP A 47 -12.666 -2.594 -3.244 1.00 0.00 C ATOM 759 OD1 ASP A 47 -13.555 -3.455 -3.080 1.00 0.00 O ATOM 760 OD2 ASP A 47 -12.586 -1.877 -4.264 1.00 0.00 O ATOM 0 H ASP A 47 -10.640 -3.920 0.376 1.00 0.00 H new ATOM 0 HA ASP A 47 -11.859 -4.418 -1.420 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -12.084 -1.893 -1.307 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -10.826 -1.775 -2.521 1.00 0.00 H new ATOM 765 N LEU A 48 -9.345 -5.305 -2.413 1.00 0.00 N ATOM 766 CA LEU A 48 -8.492 -5.988 -3.379 1.00 0.00 C ATOM 767 C LEU A 48 -7.793 -4.987 -4.293 1.00 0.00 C ATOM 768 O LEU A 48 -7.637 -5.227 -5.491 1.00 0.00 O ATOM 769 CB LEU A 48 -9.319 -6.967 -4.215 1.00 0.00 C ATOM 770 CG LEU A 48 -10.144 -7.989 -3.432 1.00 0.00 C ATOM 771 CD1 LEU A 48 -11.229 -8.588 -4.313 1.00 0.00 C ATOM 772 CD2 LEU A 48 -9.245 -9.082 -2.871 1.00 0.00 C ATOM 0 H LEU A 48 -9.210 -5.602 -1.447 1.00 0.00 H new ATOM 0 HA LEU A 48 -7.731 -6.541 -2.828 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -9.995 -6.392 -4.847 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -8.644 -7.507 -4.879 1.00 0.00 H new ATOM 0 HG LEU A 48 -10.624 -7.477 -2.598 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -11.805 -9.313 -3.738 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -11.890 -7.796 -4.665 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -10.770 -9.085 -5.168 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -9.849 -9.801 -2.317 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -8.736 -9.591 -3.690 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -8.506 -8.638 -2.204 1.00 0.00 H new ATOM 784 N CYS A 49 -7.371 -3.866 -3.719 1.00 0.00 N ATOM 785 CA CYS A 49 -6.686 -2.828 -4.481 1.00 0.00 C ATOM 786 C CYS A 49 -5.587 -2.176 -3.647 1.00 0.00 C ATOM 787 O CYS A 49 -5.496 -2.398 -2.439 1.00 0.00 O ATOM 788 CB CYS A 49 -7.684 -1.768 -4.950 1.00 0.00 C ATOM 789 SG CYS A 49 -7.102 -0.771 -6.342 1.00 0.00 S ATOM 0 H CYS A 49 -7.491 -3.653 -2.729 1.00 0.00 H new ATOM 0 HA CYS A 49 -6.227 -3.295 -5.352 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -8.614 -2.260 -5.233 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -7.915 -1.107 -4.115 1.00 0.00 H new ATOM 0 HG CYS A 49 -5.932 -1.194 -6.719 1.00 0.00 H new ATOM 795 N LEU A 50 -4.755 -1.373 -4.300 1.00 0.00 N ATOM 796 CA LEU A 50 -3.660 -0.690 -3.619 1.00 0.00 C ATOM 797 C LEU A 50 -3.930 0.808 -3.522 1.00 0.00 C ATOM 798 O LEU A 50 -4.312 1.446 -4.503 1.00 0.00 O ATOM 799 CB LEU A 50 -2.342 -0.935 -4.356 1.00 0.00 C ATOM 800 CG LEU A 50 -1.561 -2.181 -3.937 1.00 0.00 C ATOM 801 CD1 LEU A 50 -0.338 -2.367 -4.822 1.00 0.00 C ATOM 802 CD2 LEU A 50 -1.154 -2.088 -2.474 1.00 0.00 C ATOM 0 H LEU A 50 -4.817 -1.179 -5.299 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.585 -1.094 -2.609 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.553 -1.005 -5.423 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.702 -0.064 -4.214 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.208 -3.050 -4.059 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.205 -3.259 -4.509 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.653 -2.480 -5.859 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.312 -1.496 -4.733 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -0.599 -2.983 -2.193 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.525 -1.210 -2.326 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.046 -2.004 -1.853 1.00 0.00 H new ATOM 814 N PHE A 51 -3.726 1.365 -2.332 1.00 0.00 N ATOM 815 CA PHE A 51 -3.946 2.789 -2.107 1.00 0.00 C ATOM 816 C PHE A 51 -2.889 3.360 -1.167 1.00 0.00 C ATOM 817 O PHE A 51 -2.563 2.759 -0.143 1.00 0.00 O ATOM 818 CB PHE A 51 -5.343 3.025 -1.527 1.00 0.00 C ATOM 819 CG PHE A 51 -6.452 2.580 -2.436 1.00 0.00 C ATOM 820 CD1 PHE A 51 -6.739 3.281 -3.596 1.00 0.00 C ATOM 821 CD2 PHE A 51 -7.210 1.461 -2.130 1.00 0.00 C ATOM 822 CE1 PHE A 51 -7.759 2.874 -4.435 1.00 0.00 C ATOM 823 CE2 PHE A 51 -8.231 1.049 -2.965 1.00 0.00 C ATOM 824 CZ PHE A 51 -8.507 1.757 -4.118 1.00 0.00 C ATOM 0 H PHE A 51 -3.409 0.852 -1.509 1.00 0.00 H new ATOM 0 HA PHE A 51 -3.868 3.300 -3.066 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -5.428 2.496 -0.578 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -5.464 4.087 -1.312 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -6.159 4.156 -3.848 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -7.000 0.904 -1.228 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -7.971 3.429 -5.337 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -8.813 0.174 -2.716 1.00 0.00 H new ATOM 0 HZ PHE A 51 -9.306 1.438 -4.771 1.00 0.00 H new ATOM 834 N TYR A 52 -2.358 4.525 -1.522 1.00 0.00 N ATOM 835 CA TYR A 52 -1.336 5.177 -0.712 1.00 0.00 C ATOM 836 C TYR A 52 -1.651 6.658 -0.526 1.00 0.00 C ATOM 837 O TYR A 52 -2.439 7.236 -1.275 1.00 0.00 O ATOM 838 CB TYR A 52 0.039 5.015 -1.362 1.00 0.00 C ATOM 839 CG TYR A 52 0.048 5.316 -2.843 1.00 0.00 C ATOM 840 CD1 TYR A 52 0.270 6.607 -3.308 1.00 0.00 C ATOM 841 CD2 TYR A 52 -0.166 4.311 -3.778 1.00 0.00 C ATOM 842 CE1 TYR A 52 0.279 6.887 -4.661 1.00 0.00 C ATOM 843 CE2 TYR A 52 -0.158 4.582 -5.133 1.00 0.00 C ATOM 844 CZ TYR A 52 0.065 5.871 -5.569 1.00 0.00 C ATOM 845 OH TYR A 52 0.072 6.146 -6.918 1.00 0.00 O ATOM 0 H TYR A 52 -2.618 5.037 -2.365 1.00 0.00 H new ATOM 0 HA TYR A 52 -1.326 4.700 0.268 1.00 0.00 H new ATOM 0 HB2 TYR A 52 0.748 5.674 -0.862 1.00 0.00 H new ATOM 0 HB3 TYR A 52 0.388 3.994 -1.205 1.00 0.00 H new ATOM 0 HD1 TYR A 52 0.438 7.405 -2.600 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -0.342 3.300 -3.440 1.00 0.00 H new ATOM 0 HE1 TYR A 52 0.453 7.896 -5.006 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -0.325 3.789 -5.846 1.00 0.00 H new ATOM 0 HH TYR A 52 -0.093 5.321 -7.421 1.00 0.00 H new ATOM 855 N TYR A 53 -1.031 7.266 0.479 1.00 0.00 N ATOM 856 CA TYR A 53 -1.245 8.680 0.767 1.00 0.00 C ATOM 857 C TYR A 53 0.044 9.340 1.246 1.00 0.00 C ATOM 858 O TYR A 53 0.962 8.667 1.714 1.00 0.00 O ATOM 859 CB TYR A 53 -2.340 8.846 1.822 1.00 0.00 C ATOM 860 CG TYR A 53 -3.467 7.847 1.689 1.00 0.00 C ATOM 861 CD1 TYR A 53 -3.239 6.487 1.858 1.00 0.00 C ATOM 862 CD2 TYR A 53 -4.759 8.263 1.395 1.00 0.00 C ATOM 863 CE1 TYR A 53 -4.265 5.570 1.736 1.00 0.00 C ATOM 864 CE2 TYR A 53 -5.792 7.353 1.274 1.00 0.00 C ATOM 865 CZ TYR A 53 -5.540 6.008 1.445 1.00 0.00 C ATOM 866 OH TYR A 53 -6.565 5.098 1.324 1.00 0.00 O ATOM 0 H TYR A 53 -0.376 6.802 1.108 1.00 0.00 H new ATOM 0 HA TYR A 53 -1.560 9.169 -0.155 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -1.896 8.750 2.813 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.749 9.854 1.753 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -2.242 6.141 2.089 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -4.960 9.315 1.259 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -4.070 4.516 1.868 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -6.791 7.693 1.047 1.00 0.00 H new ATOM 0 HH TYR A 53 -7.324 5.385 1.873 1.00 0.00 H new ATOM 876 N ARG A 54 0.103 10.662 1.126 1.00 0.00 N ATOM 877 CA ARG A 54 1.279 11.415 1.546 1.00 0.00 C ATOM 878 C ARG A 54 1.905 10.795 2.793 1.00 0.00 C ATOM 879 O ARG A 54 3.110 10.550 2.838 1.00 0.00 O ATOM 880 CB ARG A 54 0.906 12.873 1.821 1.00 0.00 C ATOM 881 CG ARG A 54 -0.069 13.453 0.810 1.00 0.00 C ATOM 882 CD ARG A 54 -1.511 13.273 1.261 1.00 0.00 C ATOM 883 NE ARG A 54 -1.982 14.407 2.052 1.00 0.00 N ATOM 884 CZ ARG A 54 -2.287 15.590 1.531 1.00 0.00 C ATOM 885 NH1 ARG A 54 -2.172 15.794 0.226 1.00 0.00 N ATOM 886 NH2 ARG A 54 -2.709 16.573 2.316 1.00 0.00 N ATOM 0 H ARG A 54 -0.649 11.234 0.742 1.00 0.00 H new ATOM 0 HA ARG A 54 2.009 11.380 0.738 1.00 0.00 H new ATOM 0 HB2 ARG A 54 0.470 12.946 2.817 1.00 0.00 H new ATOM 0 HB3 ARG A 54 1.814 13.477 1.826 1.00 0.00 H new ATOM 0 HG2 ARG A 54 0.140 14.513 0.668 1.00 0.00 H new ATOM 0 HG3 ARG A 54 0.075 12.968 -0.156 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -2.151 13.149 0.388 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -1.595 12.360 1.850 1.00 0.00 H new ATOM 0 HE ARG A 54 -2.082 14.284 3.060 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -1.848 15.041 -0.381 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -2.407 16.704 -0.171 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -2.799 16.420 3.320 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -2.943 17.481 1.915 1.00 0.00 H new ATOM 900 N ASP A 55 1.077 10.546 3.802 1.00 0.00 N ATOM 901 CA ASP A 55 1.549 9.955 5.049 1.00 0.00 C ATOM 902 C ASP A 55 0.491 9.032 5.646 1.00 0.00 C ATOM 903 O ASP A 55 -0.616 8.920 5.122 1.00 0.00 O ATOM 904 CB ASP A 55 1.913 11.050 6.052 1.00 0.00 C ATOM 905 CG ASP A 55 2.899 12.052 5.482 1.00 0.00 C ATOM 906 OD1 ASP A 55 4.081 11.689 5.309 1.00 0.00 O ATOM 907 OD2 ASP A 55 2.487 13.198 5.209 1.00 0.00 O ATOM 0 H ASP A 55 0.077 10.744 3.781 1.00 0.00 H new ATOM 0 HA ASP A 55 2.439 9.365 4.829 1.00 0.00 H new ATOM 0 HB2 ASP A 55 1.007 11.571 6.361 1.00 0.00 H new ATOM 0 HB3 ASP A 55 2.339 10.593 6.946 1.00 0.00 H new ATOM 912 N GLU A 56 0.842 8.372 6.746 1.00 0.00 N ATOM 913 CA GLU A 56 -0.077 7.458 7.413 1.00 0.00 C ATOM 914 C GLU A 56 -1.416 8.137 7.689 1.00 0.00 C ATOM 915 O GLU A 56 -2.447 7.475 7.811 1.00 0.00 O ATOM 916 CB GLU A 56 0.531 6.955 8.724 1.00 0.00 C ATOM 917 CG GLU A 56 1.029 8.068 9.631 1.00 0.00 C ATOM 918 CD GLU A 56 1.981 7.567 10.700 1.00 0.00 C ATOM 919 OE1 GLU A 56 3.058 7.049 10.337 1.00 0.00 O ATOM 920 OE2 GLU A 56 1.650 7.694 11.897 1.00 0.00 O ATOM 0 H GLU A 56 1.755 8.454 7.193 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.249 6.610 6.751 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.216 6.368 9.259 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.360 6.285 8.497 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.531 8.825 9.029 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.177 8.553 10.107 1.00 0.00 H new ATOM 927 N LYS A 57 -1.392 9.462 7.786 1.00 0.00 N ATOM 928 CA LYS A 57 -2.602 10.233 8.046 1.00 0.00 C ATOM 929 C LYS A 57 -3.726 9.816 7.103 1.00 0.00 C ATOM 930 O LYS A 57 -4.904 9.995 7.409 1.00 0.00 O ATOM 931 CB LYS A 57 -2.321 11.729 7.892 1.00 0.00 C ATOM 932 CG LYS A 57 -1.238 12.244 8.824 1.00 0.00 C ATOM 933 CD LYS A 57 -1.812 12.663 10.167 1.00 0.00 C ATOM 934 CE LYS A 57 -0.732 13.210 11.088 1.00 0.00 C ATOM 935 NZ LYS A 57 -1.306 13.789 12.334 1.00 0.00 N ATOM 0 H LYS A 57 -0.547 10.025 7.688 1.00 0.00 H new ATOM 0 HA LYS A 57 -2.918 10.033 9.070 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -2.028 11.931 6.862 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -3.241 12.284 8.076 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.487 11.469 8.974 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -0.733 13.092 8.363 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -2.580 13.421 10.015 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -2.296 11.808 10.640 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -0.036 12.412 11.346 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -0.160 13.974 10.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -0.538 14.151 12.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -1.951 14.568 12.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -1.831 13.053 12.849 1.00 0.00 H new ATOM 949 N GLU A 58 -3.353 9.258 5.955 1.00 0.00 N ATOM 950 CA GLU A 58 -4.331 8.815 4.968 1.00 0.00 C ATOM 951 C GLU A 58 -5.178 9.986 4.478 1.00 0.00 C ATOM 952 O GLU A 58 -6.389 9.859 4.304 1.00 0.00 O ATOM 953 CB GLU A 58 -5.233 7.732 5.562 1.00 0.00 C ATOM 954 CG GLU A 58 -4.595 6.354 5.586 1.00 0.00 C ATOM 955 CD GLU A 58 -5.367 5.368 6.441 1.00 0.00 C ATOM 956 OE1 GLU A 58 -5.941 5.792 7.466 1.00 0.00 O ATOM 957 OE2 GLU A 58 -5.398 4.171 6.085 1.00 0.00 O ATOM 0 H GLU A 58 -2.382 9.102 5.686 1.00 0.00 H new ATOM 0 HA GLU A 58 -3.789 8.400 4.118 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -5.505 8.015 6.579 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -6.157 7.685 4.986 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -4.528 5.971 4.568 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -3.576 6.436 5.964 1.00 0.00 H new ATOM 964 N GLU A 59 -4.530 11.127 4.260 1.00 0.00 N ATOM 965 CA GLU A 59 -5.224 12.321 3.792 1.00 0.00 C ATOM 966 C GLU A 59 -5.198 12.404 2.268 1.00 0.00 C ATOM 967 O GLU A 59 -4.191 12.788 1.674 1.00 0.00 O ATOM 968 CB GLU A 59 -4.588 13.576 4.393 1.00 0.00 C ATOM 969 CG GLU A 59 -4.495 13.545 5.909 1.00 0.00 C ATOM 970 CD GLU A 59 -5.850 13.390 6.574 1.00 0.00 C ATOM 971 OE1 GLU A 59 -6.286 12.235 6.767 1.00 0.00 O ATOM 972 OE2 GLU A 59 -6.473 14.421 6.899 1.00 0.00 O ATOM 0 H GLU A 59 -3.527 11.249 4.400 1.00 0.00 H new ATOM 0 HA GLU A 59 -6.262 12.257 4.117 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -3.588 13.700 3.979 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -5.169 14.448 4.091 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -3.849 12.721 6.213 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -4.026 14.464 6.259 1.00 0.00 H new ATOM 979 N GLY A 60 -6.313 12.040 1.642 1.00 0.00 N ATOM 980 CA GLY A 60 -6.397 12.079 0.194 1.00 0.00 C ATOM 981 C GLY A 60 -5.411 11.138 -0.470 1.00 0.00 C ATOM 982 O GLY A 60 -4.237 11.097 -0.100 1.00 0.00 O ATOM 0 H GLY A 60 -7.159 11.719 2.112 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.409 11.817 -0.115 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -6.212 13.096 -0.150 1.00 0.00 H new ATOM 986 N ILE A 61 -5.887 10.380 -1.452 1.00 0.00 N ATOM 987 CA ILE A 61 -5.039 9.435 -2.167 1.00 0.00 C ATOM 988 C ILE A 61 -4.287 10.122 -3.303 1.00 0.00 C ATOM 989 O ILE A 61 -4.878 10.848 -4.103 1.00 0.00 O ATOM 990 CB ILE A 61 -5.860 8.266 -2.743 1.00 0.00 C ATOM 991 CG1 ILE A 61 -6.496 7.455 -1.612 1.00 0.00 C ATOM 992 CG2 ILE A 61 -4.980 7.377 -3.609 1.00 0.00 C ATOM 993 CD1 ILE A 61 -7.553 6.482 -2.087 1.00 0.00 C ATOM 0 H ILE A 61 -6.856 10.402 -1.771 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.323 9.044 -1.444 1.00 0.00 H new ATOM 0 HB ILE A 61 -6.657 8.673 -3.366 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -5.715 6.904 -1.088 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -6.942 8.140 -0.891 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -5.574 6.555 -4.009 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -4.570 7.962 -4.432 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -4.164 6.976 -3.007 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -7.960 5.942 -1.233 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -8.353 7.029 -2.586 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -7.108 5.773 -2.785 1.00 0.00 H new ATOM 1005 N LEU A 62 -2.982 9.886 -3.368 1.00 0.00 N ATOM 1006 CA LEU A 62 -2.148 10.480 -4.407 1.00 0.00 C ATOM 1007 C LEU A 62 -2.172 9.633 -5.675 1.00 0.00 C ATOM 1008 O LEU A 62 -1.722 10.069 -6.734 1.00 0.00 O ATOM 1009 CB LEU A 62 -0.710 10.634 -3.909 1.00 0.00 C ATOM 1010 CG LEU A 62 -0.540 10.849 -2.405 1.00 0.00 C ATOM 1011 CD1 LEU A 62 0.905 11.188 -2.074 1.00 0.00 C ATOM 1012 CD2 LEU A 62 -1.473 11.947 -1.915 1.00 0.00 C ATOM 0 H LEU A 62 -2.478 9.287 -2.714 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.551 11.465 -4.643 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.151 9.743 -4.194 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.255 11.476 -4.430 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.800 9.923 -1.893 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.007 11.338 -0.999 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.552 10.370 -2.389 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.193 12.100 -2.596 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.339 12.087 -0.842 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.244 12.878 -2.434 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.506 11.664 -2.117 1.00 0.00 H new ATOM 1024 N GLY A 63 -2.702 8.419 -5.560 1.00 0.00 N ATOM 1025 CA GLY A 63 -2.776 7.530 -6.704 1.00 0.00 C ATOM 1026 C GLY A 63 -3.137 6.110 -6.314 1.00 0.00 C ATOM 1027 O GLY A 63 -2.601 5.570 -5.346 1.00 0.00 O ATOM 0 H GLY A 63 -3.082 8.036 -4.694 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -3.517 7.910 -7.408 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -1.817 7.528 -7.221 1.00 0.00 H new ATOM 1031 N SER A 64 -4.050 5.505 -7.067 1.00 0.00 N ATOM 1032 CA SER A 64 -4.487 4.142 -6.791 1.00 0.00 C ATOM 1033 C SER A 64 -3.876 3.163 -7.789 1.00 0.00 C ATOM 1034 O SER A 64 -3.584 3.524 -8.929 1.00 0.00 O ATOM 1035 CB SER A 64 -6.013 4.052 -6.840 1.00 0.00 C ATOM 1036 OG SER A 64 -6.521 4.646 -8.023 1.00 0.00 O ATOM 0 H SER A 64 -4.501 5.938 -7.873 1.00 0.00 H new ATOM 0 HA SER A 64 -4.147 3.874 -5.791 1.00 0.00 H new ATOM 0 HB2 SER A 64 -6.321 3.007 -6.793 1.00 0.00 H new ATOM 0 HB3 SER A 64 -6.438 4.549 -5.968 1.00 0.00 H new ATOM 0 HG SER A 64 -6.850 5.547 -7.821 1.00 0.00 H new ATOM 1042 N ILE A 65 -3.686 1.923 -7.351 1.00 0.00 N ATOM 1043 CA ILE A 65 -3.111 0.891 -8.206 1.00 0.00 C ATOM 1044 C ILE A 65 -3.951 -0.381 -8.173 1.00 0.00 C ATOM 1045 O ILE A 65 -4.256 -0.909 -7.103 1.00 0.00 O ATOM 1046 CB ILE A 65 -1.669 0.552 -7.786 1.00 0.00 C ATOM 1047 CG1 ILE A 65 -0.710 1.656 -8.237 1.00 0.00 C ATOM 1048 CG2 ILE A 65 -1.250 -0.790 -8.367 1.00 0.00 C ATOM 1049 CD1 ILE A 65 0.675 1.534 -7.642 1.00 0.00 C ATOM 0 H ILE A 65 -3.922 1.608 -6.410 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.101 1.290 -9.220 1.00 0.00 H new ATOM 0 HB ILE A 65 -1.630 0.484 -6.699 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -0.632 1.637 -9.324 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -1.130 2.624 -7.964 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -0.228 -1.016 -8.061 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -1.919 -1.569 -8.002 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -1.302 -0.748 -9.455 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.300 2.349 -8.006 1.00 0.00 H new ATOM 0 HD12 ILE A 65 0.610 1.584 -6.555 1.00 0.00 H new ATOM 0 HD13 ILE A 65 1.115 0.581 -7.936 1.00 0.00 H new ATOM 1061 N LEU A 66 -4.320 -0.870 -9.352 1.00 0.00 N ATOM 1062 CA LEU A 66 -5.123 -2.083 -9.459 1.00 0.00 C ATOM 1063 C LEU A 66 -4.241 -3.327 -9.409 1.00 0.00 C ATOM 1064 O LEU A 66 -3.480 -3.598 -10.339 1.00 0.00 O ATOM 1065 CB LEU A 66 -5.933 -2.069 -10.757 1.00 0.00 C ATOM 1066 CG LEU A 66 -7.327 -1.448 -10.671 1.00 0.00 C ATOM 1067 CD1 LEU A 66 -8.209 -2.244 -9.721 1.00 0.00 C ATOM 1068 CD2 LEU A 66 -7.238 0.005 -10.229 1.00 0.00 C ATOM 0 H LEU A 66 -4.076 -0.445 -10.247 1.00 0.00 H new ATOM 0 HA LEU A 66 -5.807 -2.112 -8.611 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -5.362 -1.529 -11.512 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -6.035 -3.096 -11.109 1.00 0.00 H new ATOM 0 HG LEU A 66 -7.778 -1.477 -11.663 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -9.197 -1.787 -9.673 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -8.300 -3.269 -10.082 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -7.762 -2.248 -8.727 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -8.240 0.430 -10.173 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -6.766 0.059 -9.248 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -6.644 0.568 -10.949 1.00 0.00 H new ATOM 1080 N LEU A 67 -4.350 -4.080 -8.321 1.00 0.00 N ATOM 1081 CA LEU A 67 -3.564 -5.297 -8.150 1.00 0.00 C ATOM 1082 C LEU A 67 -4.017 -6.378 -9.126 1.00 0.00 C ATOM 1083 O LEU A 67 -3.207 -7.065 -9.749 1.00 0.00 O ATOM 1084 CB LEU A 67 -3.684 -5.808 -6.714 1.00 0.00 C ATOM 1085 CG LEU A 67 -2.642 -5.283 -5.725 1.00 0.00 C ATOM 1086 CD1 LEU A 67 -2.889 -5.853 -4.337 1.00 0.00 C ATOM 1087 CD2 LEU A 67 -1.237 -5.622 -6.201 1.00 0.00 C ATOM 0 H LEU A 67 -4.975 -3.870 -7.543 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.521 -5.059 -8.358 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -4.674 -5.549 -6.339 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.624 -6.896 -6.731 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.734 -4.198 -5.671 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.138 -5.468 -3.647 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.881 -5.559 -3.994 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.825 -6.941 -4.374 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.509 -5.241 -5.485 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.132 -6.704 -6.284 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.062 -5.164 -7.175 1.00 0.00 H new ATOM 1099 N PRO A 68 -5.342 -6.533 -9.266 1.00 0.00 N ATOM 1100 CA PRO A 68 -5.932 -7.527 -10.167 1.00 0.00 C ATOM 1101 C PRO A 68 -5.302 -7.498 -11.555 1.00 0.00 C ATOM 1102 O PRO A 68 -5.287 -8.506 -12.262 1.00 0.00 O ATOM 1103 CB PRO A 68 -7.404 -7.112 -10.239 1.00 0.00 C ATOM 1104 CG PRO A 68 -7.657 -6.392 -8.959 1.00 0.00 C ATOM 1105 CD PRO A 68 -6.366 -5.749 -8.555 1.00 0.00 C ATOM 0 HA PRO A 68 -5.779 -8.544 -9.807 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -7.593 -6.469 -11.099 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -8.056 -7.980 -10.341 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -8.438 -5.642 -9.086 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -8.001 -7.083 -8.189 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -6.336 -4.698 -8.843 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -6.221 -5.788 -7.475 1.00 0.00 H new ATOM 1113 N SER A 69 -4.782 -6.337 -11.940 1.00 0.00 N ATOM 1114 CA SER A 69 -4.153 -6.176 -13.245 1.00 0.00 C ATOM 1115 C SER A 69 -2.657 -6.465 -13.167 1.00 0.00 C ATOM 1116 O SER A 69 -2.018 -6.766 -14.176 1.00 0.00 O ATOM 1117 CB SER A 69 -4.383 -4.759 -13.775 1.00 0.00 C ATOM 1118 OG SER A 69 -5.767 -4.483 -13.908 1.00 0.00 O ATOM 0 H SER A 69 -4.784 -5.494 -11.366 1.00 0.00 H new ATOM 0 HA SER A 69 -4.608 -6.891 -13.930 1.00 0.00 H new ATOM 0 HB2 SER A 69 -3.928 -4.036 -13.098 1.00 0.00 H new ATOM 0 HB3 SER A 69 -3.892 -4.644 -14.741 1.00 0.00 H new ATOM 0 HG SER A 69 -5.888 -3.571 -14.247 1.00 0.00 H new ATOM 1124 N PHE A 70 -2.105 -6.372 -11.962 1.00 0.00 N ATOM 1125 CA PHE A 70 -0.684 -6.622 -11.751 1.00 0.00 C ATOM 1126 C PHE A 70 -0.422 -8.108 -11.522 1.00 0.00 C ATOM 1127 O PHE A 70 -1.292 -8.836 -11.046 1.00 0.00 O ATOM 1128 CB PHE A 70 -0.175 -5.813 -10.556 1.00 0.00 C ATOM 1129 CG PHE A 70 0.353 -4.458 -10.931 1.00 0.00 C ATOM 1130 CD1 PHE A 70 1.519 -4.334 -11.669 1.00 0.00 C ATOM 1131 CD2 PHE A 70 -0.318 -3.308 -10.546 1.00 0.00 C ATOM 1132 CE1 PHE A 70 2.007 -3.087 -12.014 1.00 0.00 C ATOM 1133 CE2 PHE A 70 0.165 -2.059 -10.889 1.00 0.00 C ATOM 1134 CZ PHE A 70 1.328 -1.949 -11.625 1.00 0.00 C ATOM 0 H PHE A 70 -2.620 -6.125 -11.117 1.00 0.00 H new ATOM 0 HA PHE A 70 -0.148 -6.310 -12.647 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -0.986 -5.692 -9.837 1.00 0.00 H new ATOM 0 HB3 PHE A 70 0.613 -6.376 -10.056 1.00 0.00 H new ATOM 0 HD1 PHE A 70 2.052 -5.221 -11.978 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -1.229 -3.389 -9.971 1.00 0.00 H new ATOM 0 HE1 PHE A 70 2.918 -3.003 -12.587 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -0.367 -1.171 -10.582 1.00 0.00 H new ATOM 0 HZ PHE A 70 1.706 -0.974 -11.896 1.00 0.00 H new ATOM 1144 N GLN A 71 0.783 -8.550 -11.867 1.00 0.00 N ATOM 1145 CA GLN A 71 1.160 -9.948 -11.701 1.00 0.00 C ATOM 1146 C GLN A 71 2.311 -10.088 -10.710 1.00 0.00 C ATOM 1147 O GLN A 71 3.448 -9.722 -11.009 1.00 0.00 O ATOM 1148 CB GLN A 71 1.555 -10.555 -13.049 1.00 0.00 C ATOM 1149 CG GLN A 71 2.567 -11.684 -12.934 1.00 0.00 C ATOM 1150 CD GLN A 71 2.637 -12.534 -14.187 1.00 0.00 C ATOM 1151 OE1 GLN A 71 2.143 -12.143 -15.245 1.00 0.00 O ATOM 1152 NE2 GLN A 71 3.254 -13.705 -14.075 1.00 0.00 N ATOM 0 H GLN A 71 1.515 -7.960 -12.263 1.00 0.00 H new ATOM 0 HA GLN A 71 0.298 -10.486 -11.307 1.00 0.00 H new ATOM 0 HB2 GLN A 71 0.660 -10.930 -13.546 1.00 0.00 H new ATOM 0 HB3 GLN A 71 1.968 -9.771 -13.684 1.00 0.00 H new ATOM 0 HG2 GLN A 71 3.552 -11.265 -12.728 1.00 0.00 H new ATOM 0 HG3 GLN A 71 2.306 -12.316 -12.085 1.00 0.00 H new ATOM 0 HE21 GLN A 71 3.649 -13.990 -13.179 1.00 0.00 H new ATOM 0 HE22 GLN A 71 3.333 -14.320 -14.885 1.00 0.00 H new ATOM 1161 N ILE A 72 2.008 -10.620 -9.531 1.00 0.00 N ATOM 1162 CA ILE A 72 3.017 -10.809 -8.496 1.00 0.00 C ATOM 1163 C ILE A 72 3.846 -12.062 -8.759 1.00 0.00 C ATOM 1164 O ILE A 72 3.313 -13.170 -8.815 1.00 0.00 O ATOM 1165 CB ILE A 72 2.378 -10.913 -7.099 1.00 0.00 C ATOM 1166 CG1 ILE A 72 1.195 -9.950 -6.982 1.00 0.00 C ATOM 1167 CG2 ILE A 72 3.413 -10.624 -6.021 1.00 0.00 C ATOM 1168 CD1 ILE A 72 1.555 -8.511 -7.281 1.00 0.00 C ATOM 0 H ILE A 72 1.072 -10.928 -9.268 1.00 0.00 H new ATOM 0 HA ILE A 72 3.666 -9.934 -8.525 1.00 0.00 H new ATOM 0 HB ILE A 72 2.009 -11.929 -6.959 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.408 -10.269 -7.666 1.00 0.00 H new ATOM 0 HG13 ILE A 72 0.785 -10.012 -5.974 1.00 0.00 H new ATOM 0 HG21 ILE A 72 2.947 -10.701 -5.039 1.00 0.00 H new ATOM 0 HG22 ILE A 72 4.226 -11.346 -6.094 1.00 0.00 H new ATOM 0 HG23 ILE A 72 3.808 -9.617 -6.157 1.00 0.00 H new ATOM 0 HD11 ILE A 72 0.668 -7.885 -7.179 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.320 -8.174 -6.581 1.00 0.00 H new ATOM 0 HD13 ILE A 72 1.937 -8.435 -8.299 1.00 0.00 H new ATOM 1180 N ALA A 73 5.152 -11.878 -8.917 1.00 0.00 N ATOM 1181 CA ALA A 73 6.056 -12.994 -9.169 1.00 0.00 C ATOM 1182 C ALA A 73 7.450 -12.706 -8.623 1.00 0.00 C ATOM 1183 O ALA A 73 7.995 -11.620 -8.825 1.00 0.00 O ATOM 1184 CB ALA A 73 6.122 -13.292 -10.660 1.00 0.00 C ATOM 0 H ALA A 73 5.608 -10.967 -8.875 1.00 0.00 H new ATOM 0 HA ALA A 73 5.666 -13.870 -8.651 1.00 0.00 H new ATOM 0 HB1 ALA A 73 6.800 -14.127 -10.834 1.00 0.00 H new ATOM 0 HB2 ALA A 73 5.127 -13.550 -11.024 1.00 0.00 H new ATOM 0 HB3 ALA A 73 6.486 -12.412 -11.191 1.00 0.00 H new ATOM 1190 N LEU A 74 8.022 -13.684 -7.929 1.00 0.00 N ATOM 1191 CA LEU A 74 9.354 -13.535 -7.352 1.00 0.00 C ATOM 1192 C LEU A 74 10.347 -13.036 -8.397 1.00 0.00 C ATOM 1193 O LEU A 74 10.339 -13.488 -9.543 1.00 0.00 O ATOM 1194 CB LEU A 74 9.832 -14.868 -6.773 1.00 0.00 C ATOM 1195 CG LEU A 74 9.271 -15.243 -5.401 1.00 0.00 C ATOM 1196 CD1 LEU A 74 9.668 -14.208 -4.360 1.00 0.00 C ATOM 1197 CD2 LEU A 74 7.757 -15.384 -5.465 1.00 0.00 C ATOM 0 H LEU A 74 7.585 -14.588 -7.752 1.00 0.00 H new ATOM 0 HA LEU A 74 9.296 -12.798 -6.551 1.00 0.00 H new ATOM 0 HB2 LEU A 74 9.576 -15.660 -7.477 1.00 0.00 H new ATOM 0 HB3 LEU A 74 10.920 -14.842 -6.704 1.00 0.00 H new ATOM 0 HG LEU A 74 9.694 -16.204 -5.107 1.00 0.00 H new ATOM 0 HD11 LEU A 74 9.260 -14.492 -3.390 1.00 0.00 H new ATOM 0 HD12 LEU A 74 10.755 -14.156 -4.295 1.00 0.00 H new ATOM 0 HD13 LEU A 74 9.275 -13.233 -4.648 1.00 0.00 H new ATOM 0 HD21 LEU A 74 7.374 -15.651 -4.480 1.00 0.00 H new ATOM 0 HD22 LEU A 74 7.317 -14.438 -5.781 1.00 0.00 H new ATOM 0 HD23 LEU A 74 7.494 -16.164 -6.180 1.00 0.00 H new ATOM 1209 N LEU A 75 11.202 -12.103 -7.994 1.00 0.00 N ATOM 1210 CA LEU A 75 12.204 -11.543 -8.895 1.00 0.00 C ATOM 1211 C LEU A 75 12.906 -12.646 -9.681 1.00 0.00 C ATOM 1212 O LEU A 75 12.724 -13.833 -9.406 1.00 0.00 O ATOM 1213 CB LEU A 75 13.232 -10.731 -8.105 1.00 0.00 C ATOM 1214 CG LEU A 75 12.682 -9.550 -7.304 1.00 0.00 C ATOM 1215 CD1 LEU A 75 13.796 -8.867 -6.526 1.00 0.00 C ATOM 1216 CD2 LEU A 75 11.987 -8.558 -8.226 1.00 0.00 C ATOM 0 H LEU A 75 11.222 -11.718 -7.050 1.00 0.00 H new ATOM 0 HA LEU A 75 11.696 -10.886 -9.601 1.00 0.00 H new ATOM 0 HB2 LEU A 75 13.745 -11.403 -7.417 1.00 0.00 H new ATOM 0 HB3 LEU A 75 13.981 -10.354 -8.802 1.00 0.00 H new ATOM 0 HG LEU A 75 11.949 -9.929 -6.592 1.00 0.00 H new ATOM 0 HD11 LEU A 75 13.385 -8.029 -5.962 1.00 0.00 H new ATOM 0 HD12 LEU A 75 14.249 -9.580 -5.838 1.00 0.00 H new ATOM 0 HD13 LEU A 75 14.553 -8.501 -7.220 1.00 0.00 H new ATOM 0 HD21 LEU A 75 11.602 -7.724 -7.639 1.00 0.00 H new ATOM 0 HD22 LEU A 75 12.699 -8.185 -8.962 1.00 0.00 H new ATOM 0 HD23 LEU A 75 11.162 -9.053 -8.738 1.00 0.00 H new ATOM 1228 N THR A 76 13.713 -12.247 -10.659 1.00 0.00 N ATOM 1229 CA THR A 76 14.444 -13.200 -11.484 1.00 0.00 C ATOM 1230 C THR A 76 15.715 -12.577 -12.049 1.00 0.00 C ATOM 1231 O THR A 76 15.879 -11.358 -12.035 1.00 0.00 O ATOM 1232 CB THR A 76 13.577 -13.715 -12.649 1.00 0.00 C ATOM 1233 OG1 THR A 76 14.296 -14.704 -13.394 1.00 0.00 O ATOM 1234 CG2 THR A 76 13.173 -12.573 -13.569 1.00 0.00 C ATOM 0 H THR A 76 13.877 -11.269 -10.899 1.00 0.00 H new ATOM 0 HA THR A 76 14.709 -14.038 -10.839 1.00 0.00 H new ATOM 0 HB THR A 76 12.674 -14.161 -12.232 1.00 0.00 H new ATOM 0 HG1 THR A 76 13.738 -15.028 -14.132 1.00 0.00 H new ATOM 0 HG21 THR A 76 12.562 -12.961 -14.384 1.00 0.00 H new ATOM 0 HG22 THR A 76 12.601 -11.836 -13.005 1.00 0.00 H new ATOM 0 HG23 THR A 76 14.067 -12.102 -13.978 1.00 0.00 H new ATOM 1242 N SER A 77 16.613 -13.423 -12.545 1.00 0.00 N ATOM 1243 CA SER A 77 17.872 -12.955 -13.112 1.00 0.00 C ATOM 1244 C SER A 77 17.656 -11.702 -13.956 1.00 0.00 C ATOM 1245 O SER A 77 18.262 -10.661 -13.706 1.00 0.00 O ATOM 1246 CB SER A 77 18.512 -14.053 -13.964 1.00 0.00 C ATOM 1247 OG SER A 77 19.890 -13.800 -14.172 1.00 0.00 O ATOM 0 H SER A 77 16.492 -14.436 -12.565 1.00 0.00 H new ATOM 0 HA SER A 77 18.542 -12.707 -12.289 1.00 0.00 H new ATOM 0 HB2 SER A 77 18.386 -15.018 -13.473 1.00 0.00 H new ATOM 0 HB3 SER A 77 18.002 -14.116 -14.925 1.00 0.00 H new ATOM 0 HG SER A 77 20.276 -14.517 -14.718 1.00 0.00 H new ATOM 1253 N GLU A 78 16.787 -11.812 -14.956 1.00 0.00 N ATOM 1254 CA GLU A 78 16.491 -10.689 -15.837 1.00 0.00 C ATOM 1255 C GLU A 78 16.500 -9.373 -15.063 1.00 0.00 C ATOM 1256 O GLU A 78 17.049 -8.373 -15.525 1.00 0.00 O ATOM 1257 CB GLU A 78 15.133 -10.886 -16.513 1.00 0.00 C ATOM 1258 CG GLU A 78 15.155 -11.909 -17.637 1.00 0.00 C ATOM 1259 CD GLU A 78 15.642 -13.270 -17.178 1.00 0.00 C ATOM 1260 OE1 GLU A 78 16.865 -13.512 -17.232 1.00 0.00 O ATOM 1261 OE2 GLU A 78 14.798 -14.092 -16.764 1.00 0.00 O ATOM 0 H GLU A 78 16.276 -12.667 -15.176 1.00 0.00 H new ATOM 0 HA GLU A 78 17.267 -10.646 -16.602 1.00 0.00 H new ATOM 0 HB2 GLU A 78 14.405 -11.198 -15.764 1.00 0.00 H new ATOM 0 HB3 GLU A 78 14.792 -9.930 -16.910 1.00 0.00 H new ATOM 0 HG2 GLU A 78 14.152 -12.007 -18.053 1.00 0.00 H new ATOM 0 HG3 GLU A 78 15.799 -11.548 -18.439 1.00 0.00 H new ATOM 1268 N ASP A 79 15.887 -9.383 -13.885 1.00 0.00 N ATOM 1269 CA ASP A 79 15.825 -8.192 -13.046 1.00 0.00 C ATOM 1270 C ASP A 79 17.225 -7.711 -12.679 1.00 0.00 C ATOM 1271 O ASP A 79 18.044 -8.480 -12.174 1.00 0.00 O ATOM 1272 CB ASP A 79 15.021 -8.478 -11.776 1.00 0.00 C ATOM 1273 CG ASP A 79 13.625 -8.988 -12.077 1.00 0.00 C ATOM 1274 OD1 ASP A 79 13.175 -8.837 -13.231 1.00 0.00 O ATOM 1275 OD2 ASP A 79 12.983 -9.538 -11.157 1.00 0.00 O ATOM 0 H ASP A 79 15.426 -10.202 -13.489 1.00 0.00 H new ATOM 0 HA ASP A 79 15.327 -7.405 -13.612 1.00 0.00 H new ATOM 0 HB2 ASP A 79 15.551 -9.214 -11.172 1.00 0.00 H new ATOM 0 HB3 ASP A 79 14.952 -7.568 -11.181 1.00 0.00 H new ATOM 1280 N HIS A 80 17.494 -6.435 -12.936 1.00 0.00 N ATOM 1281 CA HIS A 80 18.796 -5.852 -12.633 1.00 0.00 C ATOM 1282 C HIS A 80 18.868 -5.414 -11.173 1.00 0.00 C ATOM 1283 O HIS A 80 19.490 -4.401 -10.850 1.00 0.00 O ATOM 1284 CB HIS A 80 19.069 -4.659 -13.550 1.00 0.00 C ATOM 1285 CG HIS A 80 19.668 -5.042 -14.868 1.00 0.00 C ATOM 1286 ND1 HIS A 80 20.625 -4.284 -15.509 1.00 0.00 N ATOM 1287 CD2 HIS A 80 19.442 -6.112 -15.666 1.00 0.00 C ATOM 1288 CE1 HIS A 80 20.960 -4.870 -16.645 1.00 0.00 C ATOM 1289 NE2 HIS A 80 20.257 -5.981 -16.763 1.00 0.00 N ATOM 0 H HIS A 80 16.828 -5.785 -13.353 1.00 0.00 H new ATOM 0 HA HIS A 80 19.557 -6.613 -12.803 1.00 0.00 H new ATOM 0 HB2 HIS A 80 18.135 -4.125 -13.726 1.00 0.00 H new ATOM 0 HB3 HIS A 80 19.741 -3.967 -13.042 1.00 0.00 H new ATOM 0 HD2 HIS A 80 18.750 -6.918 -15.475 1.00 0.00 H new ATOM 0 HE1 HIS A 80 21.685 -4.503 -17.356 1.00 0.00 H new ATOM 0 HE2 HIS A 80 20.311 -6.636 -17.543 1.00 0.00 H new ATOM 1298 N ILE A 81 18.229 -6.182 -10.298 1.00 0.00 N ATOM 1299 CA ILE A 81 18.222 -5.873 -8.873 1.00 0.00 C ATOM 1300 C ILE A 81 18.943 -6.952 -8.073 1.00 0.00 C ATOM 1301 O ILE A 81 18.471 -8.084 -7.972 1.00 0.00 O ATOM 1302 CB ILE A 81 16.786 -5.724 -8.336 1.00 0.00 C ATOM 1303 CG1 ILE A 81 16.085 -4.545 -9.013 1.00 0.00 C ATOM 1304 CG2 ILE A 81 16.802 -5.542 -6.826 1.00 0.00 C ATOM 1305 CD1 ILE A 81 14.576 -4.640 -8.981 1.00 0.00 C ATOM 0 H ILE A 81 17.709 -7.023 -10.550 1.00 0.00 H new ATOM 0 HA ILE A 81 18.746 -4.925 -8.753 1.00 0.00 H new ATOM 0 HB ILE A 81 16.231 -6.633 -8.567 1.00 0.00 H new ATOM 0 HG12 ILE A 81 16.393 -3.620 -8.525 1.00 0.00 H new ATOM 0 HG13 ILE A 81 16.415 -4.483 -10.050 1.00 0.00 H new ATOM 0 HG21 ILE A 81 15.780 -5.438 -6.461 1.00 0.00 H new ATOM 0 HG22 ILE A 81 17.267 -6.411 -6.360 1.00 0.00 H new ATOM 0 HG23 ILE A 81 17.370 -4.647 -6.573 1.00 0.00 H new ATOM 0 HD11 ILE A 81 14.146 -3.771 -9.479 1.00 0.00 H new ATOM 0 HD12 ILE A 81 14.258 -5.547 -9.495 1.00 0.00 H new ATOM 0 HD13 ILE A 81 14.235 -4.671 -7.946 1.00 0.00 H new ATOM 1317 N ASN A 82 20.089 -6.593 -7.503 1.00 0.00 N ATOM 1318 CA ASN A 82 20.875 -7.531 -6.710 1.00 0.00 C ATOM 1319 C ASN A 82 20.441 -7.503 -5.247 1.00 0.00 C ATOM 1320 O ASN A 82 21.214 -7.848 -4.353 1.00 0.00 O ATOM 1321 CB ASN A 82 22.365 -7.199 -6.817 1.00 0.00 C ATOM 1322 CG ASN A 82 22.826 -7.071 -8.257 1.00 0.00 C ATOM 1323 OD1 ASN A 82 23.093 -5.970 -8.739 1.00 0.00 O ATOM 1324 ND2 ASN A 82 22.922 -8.200 -8.949 1.00 0.00 N ATOM 0 H ASN A 82 20.494 -5.660 -7.576 1.00 0.00 H new ATOM 0 HA ASN A 82 20.704 -8.533 -7.103 1.00 0.00 H new ATOM 0 HB2 ASN A 82 22.566 -6.266 -6.290 1.00 0.00 H new ATOM 0 HB3 ASN A 82 22.945 -7.977 -6.320 1.00 0.00 H new ATOM 0 HD21 ASN A 82 23.228 -8.177 -9.922 1.00 0.00 H new ATOM 0 HD22 ASN A 82 22.690 -9.090 -8.508 1.00 0.00 H new ATOM 1331 N ARG A 83 19.199 -7.092 -5.012 1.00 0.00 N ATOM 1332 CA ARG A 83 18.662 -7.019 -3.658 1.00 0.00 C ATOM 1333 C ARG A 83 17.929 -8.306 -3.294 1.00 0.00 C ATOM 1334 O ARG A 83 17.875 -9.248 -4.085 1.00 0.00 O ATOM 1335 CB ARG A 83 17.715 -5.825 -3.527 1.00 0.00 C ATOM 1336 CG ARG A 83 18.417 -4.527 -3.161 1.00 0.00 C ATOM 1337 CD ARG A 83 19.009 -4.589 -1.761 1.00 0.00 C ATOM 1338 NE ARG A 83 20.378 -5.096 -1.768 1.00 0.00 N ATOM 1339 CZ ARG A 83 21.393 -4.465 -2.348 1.00 0.00 C ATOM 1340 NH1 ARG A 83 21.193 -3.309 -2.965 1.00 0.00 N ATOM 1341 NH2 ARG A 83 22.611 -4.990 -2.311 1.00 0.00 N ATOM 0 H ARG A 83 18.546 -6.805 -5.741 1.00 0.00 H new ATOM 0 HA ARG A 83 19.497 -6.890 -2.969 1.00 0.00 H new ATOM 0 HB2 ARG A 83 17.185 -5.688 -4.469 1.00 0.00 H new ATOM 0 HB3 ARG A 83 16.965 -6.049 -2.768 1.00 0.00 H new ATOM 0 HG2 ARG A 83 19.208 -4.324 -3.883 1.00 0.00 H new ATOM 0 HG3 ARG A 83 17.710 -3.700 -3.222 1.00 0.00 H new ATOM 0 HD2 ARG A 83 18.993 -3.594 -1.316 1.00 0.00 H new ATOM 0 HD3 ARG A 83 18.389 -5.229 -1.133 1.00 0.00 H new ATOM 0 HE ARG A 83 20.566 -5.984 -1.302 1.00 0.00 H new ATOM 0 HH11 ARG A 83 20.258 -2.902 -2.995 1.00 0.00 H new ATOM 0 HH12 ARG A 83 21.974 -2.826 -3.410 1.00 0.00 H new ATOM 0 HH21 ARG A 83 22.769 -5.879 -1.837 1.00 0.00 H new ATOM 0 HH22 ARG A 83 23.389 -4.504 -2.757 1.00 0.00 H new ATOM 1355 N LYS A 84 17.366 -8.340 -2.091 1.00 0.00 N ATOM 1356 CA LYS A 84 16.635 -9.511 -1.621 1.00 0.00 C ATOM 1357 C LYS A 84 15.341 -9.101 -0.925 1.00 0.00 C ATOM 1358 O LYS A 84 15.008 -7.917 -0.860 1.00 0.00 O ATOM 1359 CB LYS A 84 17.504 -10.330 -0.664 1.00 0.00 C ATOM 1360 CG LYS A 84 18.787 -10.842 -1.294 1.00 0.00 C ATOM 1361 CD LYS A 84 19.228 -12.156 -0.673 1.00 0.00 C ATOM 1362 CE LYS A 84 19.435 -12.022 0.828 1.00 0.00 C ATOM 1363 NZ LYS A 84 20.833 -11.634 1.163 1.00 0.00 N ATOM 0 H LYS A 84 17.402 -7.570 -1.423 1.00 0.00 H new ATOM 0 HA LYS A 84 16.383 -10.123 -2.487 1.00 0.00 H new ATOM 0 HB2 LYS A 84 17.754 -9.716 0.202 1.00 0.00 H new ATOM 0 HB3 LYS A 84 16.926 -11.178 -0.297 1.00 0.00 H new ATOM 0 HG2 LYS A 84 18.639 -10.977 -2.365 1.00 0.00 H new ATOM 0 HG3 LYS A 84 19.575 -10.099 -1.172 1.00 0.00 H new ATOM 0 HD2 LYS A 84 18.479 -12.923 -0.871 1.00 0.00 H new ATOM 0 HD3 LYS A 84 20.155 -12.488 -1.141 1.00 0.00 H new ATOM 0 HE2 LYS A 84 18.746 -11.276 1.224 1.00 0.00 H new ATOM 0 HE3 LYS A 84 19.194 -12.968 1.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 20.933 -11.553 2.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 21.489 -12.358 0.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 21.055 -10.719 0.721 1.00 0.00 H new ATOM 1377 N TYR A 85 14.617 -10.086 -0.406 1.00 0.00 N ATOM 1378 CA TYR A 85 13.358 -9.827 0.284 1.00 0.00 C ATOM 1379 C TYR A 85 12.518 -8.808 -0.479 1.00 0.00 C ATOM 1380 O TYR A 85 11.972 -7.874 0.107 1.00 0.00 O ATOM 1381 CB TYR A 85 13.625 -9.324 1.704 1.00 0.00 C ATOM 1382 CG TYR A 85 14.397 -10.303 2.559 1.00 0.00 C ATOM 1383 CD1 TYR A 85 15.674 -10.715 2.197 1.00 0.00 C ATOM 1384 CD2 TYR A 85 13.850 -10.818 3.727 1.00 0.00 C ATOM 1385 CE1 TYR A 85 16.383 -11.610 2.974 1.00 0.00 C ATOM 1386 CE2 TYR A 85 14.552 -11.712 4.512 1.00 0.00 C ATOM 1387 CZ TYR A 85 15.818 -12.106 4.131 1.00 0.00 C ATOM 1388 OH TYR A 85 16.520 -12.998 4.908 1.00 0.00 O ATOM 0 H TYR A 85 14.880 -11.071 -0.450 1.00 0.00 H new ATOM 0 HA TYR A 85 12.802 -10.763 0.336 1.00 0.00 H new ATOM 0 HB2 TYR A 85 14.179 -8.387 1.650 1.00 0.00 H new ATOM 0 HB3 TYR A 85 12.673 -9.105 2.187 1.00 0.00 H new ATOM 0 HD1 TYR A 85 16.120 -10.329 1.292 1.00 0.00 H new ATOM 0 HD2 TYR A 85 12.858 -10.514 4.027 1.00 0.00 H new ATOM 0 HE1 TYR A 85 17.374 -11.920 2.678 1.00 0.00 H new ATOM 0 HE2 TYR A 85 14.112 -12.100 5.419 1.00 0.00 H new ATOM 0 HH TYR A 85 15.981 -13.248 5.687 1.00 0.00 H new ATOM 1398 N ALA A 86 12.418 -8.997 -1.791 1.00 0.00 N ATOM 1399 CA ALA A 86 11.643 -8.097 -2.635 1.00 0.00 C ATOM 1400 C ALA A 86 11.026 -8.844 -3.813 1.00 0.00 C ATOM 1401 O ALA A 86 11.490 -9.921 -4.189 1.00 0.00 O ATOM 1402 CB ALA A 86 12.516 -6.955 -3.131 1.00 0.00 C ATOM 0 H ALA A 86 12.864 -9.765 -2.292 1.00 0.00 H new ATOM 0 HA ALA A 86 10.832 -7.685 -2.035 1.00 0.00 H new ATOM 0 HB1 ALA A 86 11.923 -6.291 -3.760 1.00 0.00 H new ATOM 0 HB2 ALA A 86 12.904 -6.397 -2.279 1.00 0.00 H new ATOM 0 HB3 ALA A 86 13.347 -7.357 -3.710 1.00 0.00 H new ATOM 1408 N PHE A 87 9.978 -8.267 -4.391 1.00 0.00 N ATOM 1409 CA PHE A 87 9.297 -8.880 -5.526 1.00 0.00 C ATOM 1410 C PHE A 87 8.975 -7.839 -6.594 1.00 0.00 C ATOM 1411 O PHE A 87 9.254 -6.651 -6.424 1.00 0.00 O ATOM 1412 CB PHE A 87 8.011 -9.569 -5.064 1.00 0.00 C ATOM 1413 CG PHE A 87 7.330 -8.865 -3.926 1.00 0.00 C ATOM 1414 CD1 PHE A 87 7.855 -8.921 -2.645 1.00 0.00 C ATOM 1415 CD2 PHE A 87 6.163 -8.147 -4.137 1.00 0.00 C ATOM 1416 CE1 PHE A 87 7.230 -8.274 -1.596 1.00 0.00 C ATOM 1417 CE2 PHE A 87 5.534 -7.498 -3.092 1.00 0.00 C ATOM 1418 CZ PHE A 87 6.067 -7.563 -1.819 1.00 0.00 C ATOM 0 H PHE A 87 9.582 -7.376 -4.092 1.00 0.00 H new ATOM 0 HA PHE A 87 9.964 -9.625 -5.960 1.00 0.00 H new ATOM 0 HB2 PHE A 87 7.321 -9.635 -5.905 1.00 0.00 H new ATOM 0 HB3 PHE A 87 8.244 -10.590 -4.762 1.00 0.00 H new ATOM 0 HD1 PHE A 87 8.763 -9.477 -2.464 1.00 0.00 H new ATOM 0 HD2 PHE A 87 5.741 -8.094 -5.130 1.00 0.00 H new ATOM 0 HE1 PHE A 87 7.651 -8.324 -0.603 1.00 0.00 H new ATOM 0 HE2 PHE A 87 4.626 -6.940 -3.270 1.00 0.00 H new ATOM 0 HZ PHE A 87 5.575 -7.059 -1.000 1.00 0.00 H new ATOM 1428 N LYS A 88 8.386 -8.292 -7.695 1.00 0.00 N ATOM 1429 CA LYS A 88 8.024 -7.402 -8.792 1.00 0.00 C ATOM 1430 C LYS A 88 6.605 -7.685 -9.276 1.00 0.00 C ATOM 1431 O LYS A 88 6.100 -8.797 -9.130 1.00 0.00 O ATOM 1432 CB LYS A 88 9.011 -7.559 -9.950 1.00 0.00 C ATOM 1433 CG LYS A 88 8.908 -8.899 -10.660 1.00 0.00 C ATOM 1434 CD LYS A 88 9.581 -8.862 -12.021 1.00 0.00 C ATOM 1435 CE LYS A 88 8.983 -9.892 -12.967 1.00 0.00 C ATOM 1436 NZ LYS A 88 7.728 -9.400 -13.600 1.00 0.00 N ATOM 0 H LYS A 88 8.149 -9.272 -7.852 1.00 0.00 H new ATOM 0 HA LYS A 88 8.066 -6.377 -8.425 1.00 0.00 H new ATOM 0 HB2 LYS A 88 8.841 -6.761 -10.672 1.00 0.00 H new ATOM 0 HB3 LYS A 88 10.025 -7.435 -9.571 1.00 0.00 H new ATOM 0 HG2 LYS A 88 9.369 -9.673 -10.046 1.00 0.00 H new ATOM 0 HG3 LYS A 88 7.859 -9.169 -10.779 1.00 0.00 H new ATOM 0 HD2 LYS A 88 9.477 -7.866 -12.453 1.00 0.00 H new ATOM 0 HD3 LYS A 88 10.649 -9.049 -11.905 1.00 0.00 H new ATOM 0 HE2 LYS A 88 9.709 -10.138 -13.742 1.00 0.00 H new ATOM 0 HE3 LYS A 88 8.777 -10.812 -12.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 7.351 -10.130 -14.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 7.026 -9.189 -12.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 7.929 -8.536 -14.143 1.00 0.00 H new ATOM 1450 N ALA A 89 5.969 -6.671 -9.854 1.00 0.00 N ATOM 1451 CA ALA A 89 4.611 -6.813 -10.364 1.00 0.00 C ATOM 1452 C ALA A 89 4.534 -6.424 -11.836 1.00 0.00 C ATOM 1453 O ALA A 89 4.885 -5.306 -12.212 1.00 0.00 O ATOM 1454 CB ALA A 89 3.649 -5.968 -9.542 1.00 0.00 C ATOM 0 H ALA A 89 6.372 -5.743 -9.981 1.00 0.00 H new ATOM 0 HA ALA A 89 4.324 -7.861 -10.277 1.00 0.00 H new ATOM 0 HB1 ALA A 89 2.638 -6.083 -9.933 1.00 0.00 H new ATOM 0 HB2 ALA A 89 3.675 -6.295 -8.502 1.00 0.00 H new ATOM 0 HB3 ALA A 89 3.944 -4.920 -9.601 1.00 0.00 H new ATOM 1460 N ALA A 90 4.072 -7.354 -12.665 1.00 0.00 N ATOM 1461 CA ALA A 90 3.948 -7.108 -14.097 1.00 0.00 C ATOM 1462 C ALA A 90 2.552 -6.604 -14.448 1.00 0.00 C ATOM 1463 O ALA A 90 1.558 -7.043 -13.868 1.00 0.00 O ATOM 1464 CB ALA A 90 4.267 -8.373 -14.880 1.00 0.00 C ATOM 0 H ALA A 90 3.777 -8.285 -12.370 1.00 0.00 H new ATOM 0 HA ALA A 90 4.665 -6.334 -14.371 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.170 -8.174 -15.947 1.00 0.00 H new ATOM 0 HB2 ALA A 90 5.287 -8.689 -14.661 1.00 0.00 H new ATOM 0 HB3 ALA A 90 3.573 -9.163 -14.594 1.00 0.00 H new ATOM 1470 N HIS A 91 2.484 -5.678 -15.399 1.00 0.00 N ATOM 1471 CA HIS A 91 1.209 -5.114 -15.827 1.00 0.00 C ATOM 1472 C HIS A 91 1.160 -4.974 -17.346 1.00 0.00 C ATOM 1473 O HIS A 91 2.138 -4.598 -17.991 1.00 0.00 O ATOM 1474 CB HIS A 91 0.984 -3.752 -15.170 1.00 0.00 C ATOM 1475 CG HIS A 91 -0.448 -3.314 -15.176 1.00 0.00 C ATOM 1476 ND1 HIS A 91 -1.068 -2.782 -16.287 1.00 0.00 N ATOM 1477 CD2 HIS A 91 -1.384 -3.333 -14.198 1.00 0.00 C ATOM 1478 CE1 HIS A 91 -2.322 -2.491 -15.992 1.00 0.00 C ATOM 1479 NE2 HIS A 91 -2.540 -2.816 -14.730 1.00 0.00 N ATOM 0 H HIS A 91 3.297 -5.302 -15.888 1.00 0.00 H new ATOM 0 HA HIS A 91 0.416 -5.794 -15.516 1.00 0.00 H new ATOM 0 HB2 HIS A 91 1.339 -3.791 -14.140 1.00 0.00 H new ATOM 0 HB3 HIS A 91 1.586 -3.005 -15.687 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -1.247 -3.689 -13.187 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -3.046 -2.060 -16.668 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -3.423 -2.702 -14.232 1.00 0.00 H new ATOM 1488 N PRO A 92 -0.007 -5.283 -17.931 1.00 0.00 N ATOM 1489 CA PRO A 92 -0.212 -5.199 -19.381 1.00 0.00 C ATOM 1490 C PRO A 92 -0.316 -3.758 -19.869 1.00 0.00 C ATOM 1491 O PRO A 92 0.363 -3.363 -20.816 1.00 0.00 O ATOM 1492 CB PRO A 92 -1.538 -5.933 -19.594 1.00 0.00 C ATOM 1493 CG PRO A 92 -2.270 -5.776 -18.306 1.00 0.00 C ATOM 1494 CD PRO A 92 -1.216 -5.738 -17.224 1.00 0.00 C ATOM 0 HA PRO A 92 0.622 -5.627 -19.937 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -2.100 -5.503 -20.423 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -1.375 -6.984 -19.831 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -2.863 -4.861 -18.304 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -2.961 -6.604 -18.147 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -1.491 -5.055 -16.421 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -1.070 -6.719 -16.772 1.00 0.00 H new ATOM 1502 N ASN A 93 -1.170 -2.977 -19.216 1.00 0.00 N ATOM 1503 CA ASN A 93 -1.363 -1.579 -19.584 1.00 0.00 C ATOM 1504 C ASN A 93 -0.405 -0.676 -18.813 1.00 0.00 C ATOM 1505 O ASN A 93 -0.590 0.539 -18.758 1.00 0.00 O ATOM 1506 CB ASN A 93 -2.808 -1.154 -19.317 1.00 0.00 C ATOM 1507 CG ASN A 93 -3.277 -0.070 -20.268 1.00 0.00 C ATOM 1508 OD1 ASN A 93 -2.890 -0.044 -21.436 1.00 0.00 O ATOM 1509 ND2 ASN A 93 -4.116 0.831 -19.770 1.00 0.00 N ATOM 0 H ASN A 93 -1.740 -3.288 -18.429 1.00 0.00 H new ATOM 0 HA ASN A 93 -1.152 -1.478 -20.649 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -3.462 -2.021 -19.408 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -2.895 -0.796 -18.291 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -4.466 1.584 -20.362 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -4.410 0.770 -18.795 1.00 0.00 H new ATOM 1516 N MET A 94 0.620 -1.280 -18.219 1.00 0.00 N ATOM 1517 CA MET A 94 1.608 -0.530 -17.453 1.00 0.00 C ATOM 1518 C MET A 94 2.957 -1.243 -17.461 1.00 0.00 C ATOM 1519 O MET A 94 3.129 -2.258 -18.135 1.00 0.00 O ATOM 1520 CB MET A 94 1.129 -0.337 -16.013 1.00 0.00 C ATOM 1521 CG MET A 94 0.276 0.906 -15.818 1.00 0.00 C ATOM 1522 SD MET A 94 0.015 1.304 -14.079 1.00 0.00 S ATOM 1523 CE MET A 94 -0.878 -0.149 -13.530 1.00 0.00 C ATOM 0 H MET A 94 0.787 -2.286 -18.254 1.00 0.00 H new ATOM 0 HA MET A 94 1.730 0.447 -17.922 1.00 0.00 H new ATOM 0 HB2 MET A 94 0.555 -1.213 -15.709 1.00 0.00 H new ATOM 0 HB3 MET A 94 1.996 -0.280 -15.355 1.00 0.00 H new ATOM 0 HG2 MET A 94 0.755 1.751 -16.312 1.00 0.00 H new ATOM 0 HG3 MET A 94 -0.690 0.759 -16.302 1.00 0.00 H new ATOM 0 HE1 MET A 94 -1.236 0.007 -12.512 1.00 0.00 H new ATOM 0 HE2 MET A 94 -1.727 -0.325 -14.190 1.00 0.00 H new ATOM 0 HE3 MET A 94 -0.215 -1.014 -13.553 1.00 0.00 H new ATOM 1533 N ARG A 95 3.910 -0.704 -16.708 1.00 0.00 N ATOM 1534 CA ARG A 95 5.244 -1.288 -16.630 1.00 0.00 C ATOM 1535 C ARG A 95 5.364 -2.210 -15.420 1.00 0.00 C ATOM 1536 O ARG A 95 4.397 -2.420 -14.687 1.00 0.00 O ATOM 1537 CB ARG A 95 6.303 -0.186 -16.551 1.00 0.00 C ATOM 1538 CG ARG A 95 6.154 0.715 -15.336 1.00 0.00 C ATOM 1539 CD ARG A 95 5.333 1.954 -15.659 1.00 0.00 C ATOM 1540 NE ARG A 95 6.172 3.073 -16.079 1.00 0.00 N ATOM 1541 CZ ARG A 95 6.401 3.383 -17.350 1.00 0.00 C ATOM 1542 NH1 ARG A 95 5.856 2.662 -18.320 1.00 0.00 N ATOM 1543 NH2 ARG A 95 7.176 4.416 -17.653 1.00 0.00 N ATOM 0 H ARG A 95 3.783 0.136 -16.143 1.00 0.00 H new ATOM 0 HA ARG A 95 5.408 -1.877 -17.532 1.00 0.00 H new ATOM 0 HB2 ARG A 95 7.292 -0.644 -16.534 1.00 0.00 H new ATOM 0 HB3 ARG A 95 6.250 0.423 -17.453 1.00 0.00 H new ATOM 0 HG2 ARG A 95 5.677 0.161 -14.527 1.00 0.00 H new ATOM 0 HG3 ARG A 95 7.140 1.013 -14.980 1.00 0.00 H new ATOM 0 HD2 ARG A 95 4.619 1.720 -16.449 1.00 0.00 H new ATOM 0 HD3 ARG A 95 4.754 2.244 -14.782 1.00 0.00 H new ATOM 0 HE ARG A 95 6.606 3.648 -15.357 1.00 0.00 H new ATOM 0 HH11 ARG A 95 5.259 1.867 -18.091 1.00 0.00 H new ATOM 0 HH12 ARG A 95 6.033 2.902 -19.295 1.00 0.00 H new ATOM 0 HH21 ARG A 95 7.597 4.973 -16.910 1.00 0.00 H new ATOM 0 HH22 ARG A 95 7.351 4.653 -18.629 1.00 0.00 H new ATOM 1557 N THR A 96 6.557 -2.761 -15.218 1.00 0.00 N ATOM 1558 CA THR A 96 6.803 -3.662 -14.100 1.00 0.00 C ATOM 1559 C THR A 96 7.245 -2.893 -12.860 1.00 0.00 C ATOM 1560 O THR A 96 8.191 -2.106 -12.911 1.00 0.00 O ATOM 1561 CB THR A 96 7.876 -4.711 -14.449 1.00 0.00 C ATOM 1562 OG1 THR A 96 7.552 -5.349 -15.689 1.00 0.00 O ATOM 1563 CG2 THR A 96 7.989 -5.756 -13.350 1.00 0.00 C ATOM 0 H THR A 96 7.368 -2.598 -15.815 1.00 0.00 H new ATOM 0 HA THR A 96 5.862 -4.171 -13.892 1.00 0.00 H new ATOM 0 HB THR A 96 8.834 -4.200 -14.543 1.00 0.00 H new ATOM 0 HG1 THR A 96 8.240 -6.013 -15.905 1.00 0.00 H new ATOM 0 HG21 THR A 96 8.753 -6.486 -13.619 1.00 0.00 H new ATOM 0 HG22 THR A 96 8.264 -5.271 -12.414 1.00 0.00 H new ATOM 0 HG23 THR A 96 7.031 -6.261 -13.229 1.00 0.00 H new ATOM 1571 N TYR A 97 6.556 -3.125 -11.749 1.00 0.00 N ATOM 1572 CA TYR A 97 6.877 -2.452 -10.496 1.00 0.00 C ATOM 1573 C TYR A 97 7.767 -3.327 -9.619 1.00 0.00 C ATOM 1574 O TYR A 97 8.001 -4.497 -9.925 1.00 0.00 O ATOM 1575 CB TYR A 97 5.595 -2.092 -9.743 1.00 0.00 C ATOM 1576 CG TYR A 97 4.901 -0.862 -10.282 1.00 0.00 C ATOM 1577 CD1 TYR A 97 4.827 -0.624 -11.649 1.00 0.00 C ATOM 1578 CD2 TYR A 97 4.319 0.063 -9.424 1.00 0.00 C ATOM 1579 CE1 TYR A 97 4.194 0.499 -12.145 1.00 0.00 C ATOM 1580 CE2 TYR A 97 3.683 1.189 -9.911 1.00 0.00 C ATOM 1581 CZ TYR A 97 3.624 1.402 -11.273 1.00 0.00 C ATOM 1582 OH TYR A 97 2.992 2.522 -11.763 1.00 0.00 O ATOM 0 H TYR A 97 5.771 -3.774 -11.690 1.00 0.00 H new ATOM 0 HA TYR A 97 7.420 -1.537 -10.734 1.00 0.00 H new ATOM 0 HB2 TYR A 97 4.907 -2.936 -9.789 1.00 0.00 H new ATOM 0 HB3 TYR A 97 5.834 -1.933 -8.692 1.00 0.00 H new ATOM 0 HD1 TYR A 97 5.272 -1.329 -12.335 1.00 0.00 H new ATOM 0 HD2 TYR A 97 4.364 -0.101 -8.357 1.00 0.00 H new ATOM 0 HE1 TYR A 97 4.146 0.669 -13.210 1.00 0.00 H new ATOM 0 HE2 TYR A 97 3.235 1.898 -9.230 1.00 0.00 H new ATOM 0 HH TYR A 97 2.644 3.054 -11.017 1.00 0.00 H new ATOM 1592 N TYR A 98 8.260 -2.753 -8.528 1.00 0.00 N ATOM 1593 CA TYR A 98 9.125 -3.479 -7.606 1.00 0.00 C ATOM 1594 C TYR A 98 8.900 -3.018 -6.169 1.00 0.00 C ATOM 1595 O TYR A 98 8.850 -1.820 -5.890 1.00 0.00 O ATOM 1596 CB TYR A 98 10.593 -3.285 -7.991 1.00 0.00 C ATOM 1597 CG TYR A 98 10.953 -3.893 -9.328 1.00 0.00 C ATOM 1598 CD1 TYR A 98 10.523 -3.313 -10.516 1.00 0.00 C ATOM 1599 CD2 TYR A 98 11.722 -5.047 -9.404 1.00 0.00 C ATOM 1600 CE1 TYR A 98 10.849 -3.865 -11.739 1.00 0.00 C ATOM 1601 CE2 TYR A 98 12.054 -5.605 -10.624 1.00 0.00 C ATOM 1602 CZ TYR A 98 11.615 -5.010 -11.788 1.00 0.00 C ATOM 1603 OH TYR A 98 11.943 -5.564 -13.005 1.00 0.00 O ATOM 0 H TYR A 98 8.075 -1.786 -8.260 1.00 0.00 H new ATOM 0 HA TYR A 98 8.875 -4.538 -7.672 1.00 0.00 H new ATOM 0 HB2 TYR A 98 10.816 -2.218 -8.014 1.00 0.00 H new ATOM 0 HB3 TYR A 98 11.224 -3.726 -7.219 1.00 0.00 H new ATOM 0 HD1 TYR A 98 9.924 -2.415 -10.482 1.00 0.00 H new ATOM 0 HD2 TYR A 98 12.066 -5.516 -8.494 1.00 0.00 H new ATOM 0 HE1 TYR A 98 10.506 -3.402 -12.652 1.00 0.00 H new ATOM 0 HE2 TYR A 98 12.654 -6.502 -10.666 1.00 0.00 H new ATOM 0 HH TYR A 98 12.487 -6.366 -12.863 1.00 0.00 H new ATOM 1613 N PHE A 99 8.765 -3.978 -5.261 1.00 0.00 N ATOM 1614 CA PHE A 99 8.545 -3.673 -3.852 1.00 0.00 C ATOM 1615 C PHE A 99 9.375 -4.591 -2.960 1.00 0.00 C ATOM 1616 O PHE A 99 9.525 -5.780 -3.244 1.00 0.00 O ATOM 1617 CB PHE A 99 7.061 -3.810 -3.504 1.00 0.00 C ATOM 1618 CG PHE A 99 6.146 -3.197 -4.526 1.00 0.00 C ATOM 1619 CD1 PHE A 99 5.888 -3.846 -5.722 1.00 0.00 C ATOM 1620 CD2 PHE A 99 5.545 -1.971 -4.290 1.00 0.00 C ATOM 1621 CE1 PHE A 99 5.047 -3.283 -6.664 1.00 0.00 C ATOM 1622 CE2 PHE A 99 4.704 -1.403 -5.228 1.00 0.00 C ATOM 1623 CZ PHE A 99 4.454 -2.061 -6.416 1.00 0.00 C ATOM 0 H PHE A 99 8.804 -4.974 -5.475 1.00 0.00 H new ATOM 0 HA PHE A 99 8.859 -2.644 -3.676 1.00 0.00 H new ATOM 0 HB2 PHE A 99 6.817 -4.867 -3.397 1.00 0.00 H new ATOM 0 HB3 PHE A 99 6.878 -3.342 -2.537 1.00 0.00 H new ATOM 0 HD1 PHE A 99 6.349 -4.802 -5.921 1.00 0.00 H new ATOM 0 HD2 PHE A 99 5.736 -1.453 -3.362 1.00 0.00 H new ATOM 0 HE1 PHE A 99 4.854 -3.799 -7.593 1.00 0.00 H new ATOM 0 HE2 PHE A 99 4.243 -0.446 -5.032 1.00 0.00 H new ATOM 0 HZ PHE A 99 3.796 -1.620 -7.150 1.00 0.00 H new ATOM 1633 N CYS A 100 9.911 -4.032 -1.882 1.00 0.00 N ATOM 1634 CA CYS A 100 10.728 -4.799 -0.948 1.00 0.00 C ATOM 1635 C CYS A 100 10.286 -4.552 0.491 1.00 0.00 C ATOM 1636 O CYS A 100 9.587 -3.580 0.780 1.00 0.00 O ATOM 1637 CB CYS A 100 12.204 -4.435 -1.110 1.00 0.00 C ATOM 1638 SG CYS A 100 12.671 -2.875 -0.323 1.00 0.00 S ATOM 0 H CYS A 100 9.795 -3.050 -1.632 1.00 0.00 H new ATOM 0 HA CYS A 100 10.596 -5.857 -1.173 1.00 0.00 H new ATOM 0 HB2 CYS A 100 12.813 -5.237 -0.692 1.00 0.00 H new ATOM 0 HB3 CYS A 100 12.438 -4.378 -2.173 1.00 0.00 H new ATOM 0 HG CYS A 100 12.991 -2.007 -1.236 1.00 0.00 H new ATOM 1644 N THR A 101 10.697 -5.439 1.392 1.00 0.00 N ATOM 1645 CA THR A 101 10.342 -5.319 2.800 1.00 0.00 C ATOM 1646 C THR A 101 11.575 -5.430 3.689 1.00 0.00 C ATOM 1647 O THR A 101 12.684 -5.651 3.204 1.00 0.00 O ATOM 1648 CB THR A 101 9.324 -6.398 3.216 1.00 0.00 C ATOM 1649 OG1 THR A 101 9.795 -7.693 2.825 1.00 0.00 O ATOM 1650 CG2 THR A 101 7.966 -6.134 2.583 1.00 0.00 C ATOM 0 H THR A 101 11.276 -6.249 1.171 1.00 0.00 H new ATOM 0 HA THR A 101 9.891 -4.335 2.930 1.00 0.00 H new ATOM 0 HB THR A 101 9.214 -6.364 4.300 1.00 0.00 H new ATOM 0 HG1 THR A 101 9.898 -8.257 3.620 1.00 0.00 H new ATOM 0 HG21 THR A 101 7.264 -6.909 2.891 1.00 0.00 H new ATOM 0 HG22 THR A 101 7.597 -5.161 2.906 1.00 0.00 H new ATOM 0 HG23 THR A 101 8.063 -6.143 1.497 1.00 0.00 H new ATOM 1658 N ASP A 102 11.373 -5.276 4.993 1.00 0.00 N ATOM 1659 CA ASP A 102 12.469 -5.360 5.952 1.00 0.00 C ATOM 1660 C ASP A 102 12.905 -6.808 6.153 1.00 0.00 C ATOM 1661 O ASP A 102 14.095 -7.100 6.272 1.00 0.00 O ATOM 1662 CB ASP A 102 12.053 -4.749 7.291 1.00 0.00 C ATOM 1663 CG ASP A 102 13.213 -4.095 8.014 1.00 0.00 C ATOM 1664 OD1 ASP A 102 14.118 -4.827 8.469 1.00 0.00 O ATOM 1665 OD2 ASP A 102 13.217 -2.852 8.126 1.00 0.00 O ATOM 0 H ASP A 102 10.461 -5.092 5.410 1.00 0.00 H new ATOM 0 HA ASP A 102 13.312 -4.797 5.552 1.00 0.00 H new ATOM 0 HB2 ASP A 102 11.270 -4.009 7.122 1.00 0.00 H new ATOM 0 HB3 ASP A 102 11.626 -5.526 7.925 1.00 0.00 H new ATOM 1670 N THR A 103 11.932 -7.714 6.190 1.00 0.00 N ATOM 1671 CA THR A 103 12.214 -9.131 6.379 1.00 0.00 C ATOM 1672 C THR A 103 11.197 -9.997 5.645 1.00 0.00 C ATOM 1673 O THR A 103 10.195 -9.497 5.134 1.00 0.00 O ATOM 1674 CB THR A 103 12.212 -9.510 7.872 1.00 0.00 C ATOM 1675 OG1 THR A 103 11.753 -10.857 8.035 1.00 0.00 O ATOM 1676 CG2 THR A 103 11.323 -8.567 8.668 1.00 0.00 C ATOM 0 H THR A 103 10.942 -7.491 6.091 1.00 0.00 H new ATOM 0 HA THR A 103 13.207 -9.313 5.967 1.00 0.00 H new ATOM 0 HB THR A 103 13.232 -9.426 8.247 1.00 0.00 H new ATOM 0 HG1 THR A 103 11.756 -11.091 8.987 1.00 0.00 H new ATOM 0 HG21 THR A 103 11.337 -8.854 9.719 1.00 0.00 H new ATOM 0 HG22 THR A 103 11.692 -7.546 8.566 1.00 0.00 H new ATOM 0 HG23 THR A 103 10.302 -8.624 8.290 1.00 0.00 H new ATOM 1684 N GLY A 104 11.460 -11.299 5.596 1.00 0.00 N ATOM 1685 CA GLY A 104 10.557 -12.214 4.922 1.00 0.00 C ATOM 1686 C GLY A 104 9.126 -12.076 5.404 1.00 0.00 C ATOM 1687 O GLY A 104 8.184 -12.237 4.628 1.00 0.00 O ATOM 0 H GLY A 104 12.282 -11.737 6.011 1.00 0.00 H new ATOM 0 HA2 GLY A 104 10.595 -12.032 3.848 1.00 0.00 H new ATOM 0 HA3 GLY A 104 10.895 -13.238 5.084 1.00 0.00 H new ATOM 1691 N LYS A 105 8.962 -11.779 6.688 1.00 0.00 N ATOM 1692 CA LYS A 105 7.636 -11.620 7.274 1.00 0.00 C ATOM 1693 C LYS A 105 6.869 -10.495 6.586 1.00 0.00 C ATOM 1694 O LYS A 105 5.848 -10.732 5.942 1.00 0.00 O ATOM 1695 CB LYS A 105 7.749 -11.332 8.773 1.00 0.00 C ATOM 1696 CG LYS A 105 6.445 -10.876 9.405 1.00 0.00 C ATOM 1697 CD LYS A 105 6.163 -9.413 9.106 1.00 0.00 C ATOM 1698 CE LYS A 105 5.378 -8.756 10.231 1.00 0.00 C ATOM 1699 NZ LYS A 105 6.261 -8.344 11.357 1.00 0.00 N ATOM 0 H LYS A 105 9.731 -11.643 7.344 1.00 0.00 H new ATOM 0 HA LYS A 105 7.088 -12.551 7.130 1.00 0.00 H new ATOM 0 HB2 LYS A 105 8.095 -12.232 9.282 1.00 0.00 H new ATOM 0 HB3 LYS A 105 8.507 -10.565 8.931 1.00 0.00 H new ATOM 0 HG2 LYS A 105 5.625 -11.489 9.032 1.00 0.00 H new ATOM 0 HG3 LYS A 105 6.490 -11.026 10.484 1.00 0.00 H new ATOM 0 HD2 LYS A 105 7.104 -8.883 8.959 1.00 0.00 H new ATOM 0 HD3 LYS A 105 5.603 -9.332 8.174 1.00 0.00 H new ATOM 0 HE2 LYS A 105 4.851 -7.883 9.845 1.00 0.00 H new ATOM 0 HE3 LYS A 105 4.621 -9.449 10.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 5.688 -7.901 12.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 6.745 -9.180 11.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 6.968 -7.663 11.013 1.00 0.00 H new ATOM 1713 N GLU A 106 7.370 -9.271 6.727 1.00 0.00 N ATOM 1714 CA GLU A 106 6.730 -8.111 6.117 1.00 0.00 C ATOM 1715 C GLU A 106 6.372 -8.389 4.660 1.00 0.00 C ATOM 1716 O GLU A 106 5.523 -7.714 4.079 1.00 0.00 O ATOM 1717 CB GLU A 106 7.650 -6.890 6.204 1.00 0.00 C ATOM 1718 CG GLU A 106 7.477 -6.087 7.482 1.00 0.00 C ATOM 1719 CD GLU A 106 7.816 -4.621 7.300 1.00 0.00 C ATOM 1720 OE1 GLU A 106 7.550 -4.083 6.204 1.00 0.00 O ATOM 1721 OE2 GLU A 106 8.346 -4.011 8.251 1.00 0.00 O ATOM 0 H GLU A 106 8.215 -9.058 7.257 1.00 0.00 H new ATOM 0 HA GLU A 106 5.811 -7.905 6.665 1.00 0.00 H new ATOM 0 HB2 GLU A 106 8.686 -7.220 6.130 1.00 0.00 H new ATOM 0 HB3 GLU A 106 7.460 -6.241 5.349 1.00 0.00 H new ATOM 0 HG2 GLU A 106 6.447 -6.178 7.827 1.00 0.00 H new ATOM 0 HG3 GLU A 106 8.112 -6.509 8.261 1.00 0.00 H new ATOM 1728 N MET A 107 7.026 -9.388 4.077 1.00 0.00 N ATOM 1729 CA MET A 107 6.776 -9.757 2.688 1.00 0.00 C ATOM 1730 C MET A 107 5.656 -10.787 2.593 1.00 0.00 C ATOM 1731 O MET A 107 4.819 -10.725 1.693 1.00 0.00 O ATOM 1732 CB MET A 107 8.051 -10.310 2.048 1.00 0.00 C ATOM 1733 CG MET A 107 7.803 -11.053 0.745 1.00 0.00 C ATOM 1734 SD MET A 107 9.269 -11.126 -0.302 1.00 0.00 S ATOM 1735 CE MET A 107 9.492 -12.897 -0.449 1.00 0.00 C ATOM 0 H MET A 107 7.733 -9.956 4.544 1.00 0.00 H new ATOM 0 HA MET A 107 6.467 -8.861 2.149 1.00 0.00 H new ATOM 0 HB2 MET A 107 8.741 -9.487 1.862 1.00 0.00 H new ATOM 0 HB3 MET A 107 8.540 -10.982 2.753 1.00 0.00 H new ATOM 0 HG2 MET A 107 7.469 -12.067 0.967 1.00 0.00 H new ATOM 0 HG3 MET A 107 6.996 -10.564 0.200 1.00 0.00 H new ATOM 0 HE1 MET A 107 10.363 -13.104 -1.070 1.00 0.00 H new ATOM 0 HE2 MET A 107 9.641 -13.328 0.541 1.00 0.00 H new ATOM 0 HE3 MET A 107 8.607 -13.338 -0.907 1.00 0.00 H new ATOM 1745 N GLU A 108 5.648 -11.735 3.525 1.00 0.00 N ATOM 1746 CA GLU A 108 4.631 -12.779 3.543 1.00 0.00 C ATOM 1747 C GLU A 108 3.235 -12.177 3.680 1.00 0.00 C ATOM 1748 O GLU A 108 2.278 -12.655 3.070 1.00 0.00 O ATOM 1749 CB GLU A 108 4.891 -13.756 4.692 1.00 0.00 C ATOM 1750 CG GLU A 108 4.172 -13.388 5.979 1.00 0.00 C ATOM 1751 CD GLU A 108 4.315 -14.450 7.052 1.00 0.00 C ATOM 1752 OE1 GLU A 108 3.965 -15.618 6.781 1.00 0.00 O ATOM 1753 OE2 GLU A 108 4.778 -14.113 8.161 1.00 0.00 O ATOM 0 H GLU A 108 6.334 -11.801 4.277 1.00 0.00 H new ATOM 0 HA GLU A 108 4.685 -13.318 2.597 1.00 0.00 H new ATOM 0 HB2 GLU A 108 4.581 -14.755 4.385 1.00 0.00 H new ATOM 0 HB3 GLU A 108 5.963 -13.800 4.885 1.00 0.00 H new ATOM 0 HG2 GLU A 108 4.566 -12.443 6.353 1.00 0.00 H new ATOM 0 HG3 GLU A 108 3.114 -13.231 5.768 1.00 0.00 H new ATOM 1760 N LEU A 109 3.127 -11.126 4.485 1.00 0.00 N ATOM 1761 CA LEU A 109 1.849 -10.458 4.703 1.00 0.00 C ATOM 1762 C LEU A 109 1.374 -9.762 3.432 1.00 0.00 C ATOM 1763 O LEU A 109 0.243 -9.961 2.989 1.00 0.00 O ATOM 1764 CB LEU A 109 1.970 -9.441 5.840 1.00 0.00 C ATOM 1765 CG LEU A 109 2.521 -9.975 7.163 1.00 0.00 C ATOM 1766 CD1 LEU A 109 2.654 -8.851 8.178 1.00 0.00 C ATOM 1767 CD2 LEU A 109 1.628 -11.082 7.703 1.00 0.00 C ATOM 0 H LEU A 109 3.909 -10.718 4.997 1.00 0.00 H new ATOM 0 HA LEU A 109 1.114 -11.215 4.977 1.00 0.00 H new ATOM 0 HB2 LEU A 109 2.612 -8.626 5.505 1.00 0.00 H new ATOM 0 HB3 LEU A 109 0.984 -9.015 6.026 1.00 0.00 H new ATOM 0 HG LEU A 109 3.512 -10.391 6.981 1.00 0.00 H new ATOM 0 HD11 LEU A 109 3.047 -9.250 9.113 1.00 0.00 H new ATOM 0 HD12 LEU A 109 3.334 -8.091 7.793 1.00 0.00 H new ATOM 0 HD13 LEU A 109 1.676 -8.405 8.357 1.00 0.00 H new ATOM 0 HD21 LEU A 109 2.035 -11.451 8.645 1.00 0.00 H new ATOM 0 HD22 LEU A 109 0.624 -10.691 7.869 1.00 0.00 H new ATOM 0 HD23 LEU A 109 1.584 -11.899 6.982 1.00 0.00 H new ATOM 1779 N TRP A 110 2.246 -8.948 2.848 1.00 0.00 N ATOM 1780 CA TRP A 110 1.916 -8.225 1.625 1.00 0.00 C ATOM 1781 C TRP A 110 1.597 -9.191 0.490 1.00 0.00 C ATOM 1782 O TRP A 110 0.592 -9.038 -0.203 1.00 0.00 O ATOM 1783 CB TRP A 110 3.074 -7.310 1.222 1.00 0.00 C ATOM 1784 CG TRP A 110 2.988 -5.942 1.828 1.00 0.00 C ATOM 1785 CD1 TRP A 110 3.922 -5.336 2.619 1.00 0.00 C ATOM 1786 CD2 TRP A 110 1.909 -5.011 1.694 1.00 0.00 C ATOM 1787 NE1 TRP A 110 3.488 -4.084 2.985 1.00 0.00 N ATOM 1788 CE2 TRP A 110 2.257 -3.861 2.430 1.00 0.00 C ATOM 1789 CE3 TRP A 110 0.684 -5.035 1.022 1.00 0.00 C ATOM 1790 CZ2 TRP A 110 1.422 -2.749 2.512 1.00 0.00 C ATOM 1791 CZ3 TRP A 110 -0.144 -3.932 1.105 1.00 0.00 C ATOM 1792 CH2 TRP A 110 0.228 -2.801 1.845 1.00 0.00 C ATOM 0 H TRP A 110 3.187 -8.772 3.201 1.00 0.00 H new ATOM 0 HA TRP A 110 1.032 -7.618 1.819 1.00 0.00 H new ATOM 0 HB2 TRP A 110 4.015 -7.773 1.520 1.00 0.00 H new ATOM 0 HB3 TRP A 110 3.094 -7.218 0.136 1.00 0.00 H new ATOM 0 HD1 TRP A 110 4.863 -5.776 2.914 1.00 0.00 H new ATOM 0 HE1 TRP A 110 4.000 -3.428 3.574 1.00 0.00 H new ATOM 0 HE3 TRP A 110 0.390 -5.901 0.448 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 1.707 -1.877 3.082 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 -1.094 -3.941 0.591 1.00 0.00 H new ATOM 0 HH2 TRP A 110 -0.441 -1.954 1.890 1.00 0.00 H new ATOM 1803 N MET A 111 2.458 -10.187 0.307 1.00 0.00 N ATOM 1804 CA MET A 111 2.265 -11.179 -0.744 1.00 0.00 C ATOM 1805 C MET A 111 0.921 -11.883 -0.588 1.00 0.00 C ATOM 1806 O MET A 111 0.077 -11.839 -1.483 1.00 0.00 O ATOM 1807 CB MET A 111 3.398 -12.207 -0.719 1.00 0.00 C ATOM 1808 CG MET A 111 4.698 -11.694 -1.318 1.00 0.00 C ATOM 1809 SD MET A 111 5.692 -13.009 -2.049 1.00 0.00 S ATOM 1810 CE MET A 111 6.190 -12.241 -3.589 1.00 0.00 C ATOM 0 H MET A 111 3.295 -10.328 0.872 1.00 0.00 H new ATOM 0 HA MET A 111 2.275 -10.661 -1.703 1.00 0.00 H new ATOM 0 HB2 MET A 111 3.578 -12.512 0.312 1.00 0.00 H new ATOM 0 HB3 MET A 111 3.082 -13.097 -1.264 1.00 0.00 H new ATOM 0 HG2 MET A 111 4.473 -10.948 -2.080 1.00 0.00 H new ATOM 0 HG3 MET A 111 5.278 -11.193 -0.543 1.00 0.00 H new ATOM 0 HE1 MET A 111 5.796 -12.817 -4.427 1.00 0.00 H new ATOM 0 HE2 MET A 111 5.799 -11.224 -3.632 1.00 0.00 H new ATOM 0 HE3 MET A 111 7.278 -12.214 -3.647 1.00 0.00 H new ATOM 1820 N LYS A 112 0.728 -12.532 0.556 1.00 0.00 N ATOM 1821 CA LYS A 112 -0.514 -13.245 0.831 1.00 0.00 C ATOM 1822 C LYS A 112 -1.717 -12.458 0.320 1.00 0.00 C ATOM 1823 O LYS A 112 -2.644 -13.028 -0.255 1.00 0.00 O ATOM 1824 CB LYS A 112 -0.658 -13.499 2.333 1.00 0.00 C ATOM 1825 CG LYS A 112 0.175 -14.666 2.835 1.00 0.00 C ATOM 1826 CD LYS A 112 -0.435 -15.999 2.435 1.00 0.00 C ATOM 1827 CE LYS A 112 -1.631 -16.349 3.307 1.00 0.00 C ATOM 1828 NZ LYS A 112 -1.217 -16.997 4.582 1.00 0.00 N ATOM 0 H LYS A 112 1.416 -12.579 1.307 1.00 0.00 H new ATOM 0 HA LYS A 112 -0.479 -14.201 0.309 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -0.370 -12.598 2.875 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -1.707 -13.687 2.562 1.00 0.00 H new ATOM 0 HG2 LYS A 112 1.186 -14.592 2.433 1.00 0.00 H new ATOM 0 HG3 LYS A 112 0.259 -14.614 3.921 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -0.744 -15.960 1.390 1.00 0.00 H new ATOM 0 HD3 LYS A 112 0.317 -16.783 2.516 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -2.197 -15.444 3.527 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -2.297 -17.017 2.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -2.061 -17.220 5.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -0.698 -17.874 4.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -0.602 -16.350 5.117 1.00 0.00 H new ATOM 1842 N ALA A 113 -1.695 -11.147 0.534 1.00 0.00 N ATOM 1843 CA ALA A 113 -2.783 -10.283 0.092 1.00 0.00 C ATOM 1844 C ALA A 113 -2.662 -9.965 -1.394 1.00 0.00 C ATOM 1845 O ALA A 113 -3.499 -10.378 -2.196 1.00 0.00 O ATOM 1846 CB ALA A 113 -2.801 -8.999 0.909 1.00 0.00 C ATOM 0 H ALA A 113 -0.936 -10.660 1.011 1.00 0.00 H new ATOM 0 HA ALA A 113 -3.722 -10.814 0.248 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -3.618 -8.363 0.569 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -2.943 -9.240 1.962 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -1.855 -8.473 0.782 1.00 0.00 H new ATOM 1852 N MET A 114 -1.616 -9.229 -1.754 1.00 0.00 N ATOM 1853 CA MET A 114 -1.387 -8.856 -3.145 1.00 0.00 C ATOM 1854 C MET A 114 -1.789 -9.989 -4.085 1.00 0.00 C ATOM 1855 O MET A 114 -2.638 -9.812 -4.959 1.00 0.00 O ATOM 1856 CB MET A 114 0.084 -8.495 -3.363 1.00 0.00 C ATOM 1857 CG MET A 114 0.490 -7.183 -2.712 1.00 0.00 C ATOM 1858 SD MET A 114 1.983 -6.480 -3.438 1.00 0.00 S ATOM 1859 CE MET A 114 2.602 -5.508 -2.066 1.00 0.00 C ATOM 0 H MET A 114 -0.914 -8.879 -1.102 1.00 0.00 H new ATOM 0 HA MET A 114 -2.004 -7.986 -3.368 1.00 0.00 H new ATOM 0 HB2 MET A 114 0.709 -9.296 -2.968 1.00 0.00 H new ATOM 0 HB3 MET A 114 0.281 -8.436 -4.434 1.00 0.00 H new ATOM 0 HG2 MET A 114 -0.327 -6.467 -2.806 1.00 0.00 H new ATOM 0 HG3 MET A 114 0.651 -7.345 -1.646 1.00 0.00 H new ATOM 0 HE1 MET A 114 2.460 -4.448 -2.277 1.00 0.00 H new ATOM 0 HE2 MET A 114 2.060 -5.773 -1.158 1.00 0.00 H new ATOM 0 HE3 MET A 114 3.664 -5.711 -1.926 1.00 0.00 H new ATOM 1869 N LEU A 115 -1.173 -11.151 -3.899 1.00 0.00 N ATOM 1870 CA LEU A 115 -1.467 -12.314 -4.731 1.00 0.00 C ATOM 1871 C LEU A 115 -2.966 -12.593 -4.766 1.00 0.00 C ATOM 1872 O LEU A 115 -3.524 -12.910 -5.817 1.00 0.00 O ATOM 1873 CB LEU A 115 -0.719 -13.542 -4.208 1.00 0.00 C ATOM 1874 CG LEU A 115 0.686 -13.761 -4.768 1.00 0.00 C ATOM 1875 CD1 LEU A 115 0.627 -14.056 -6.259 1.00 0.00 C ATOM 1876 CD2 LEU A 115 1.564 -12.548 -4.497 1.00 0.00 C ATOM 0 H LEU A 115 -0.468 -11.314 -3.181 1.00 0.00 H new ATOM 0 HA LEU A 115 -1.133 -12.098 -5.746 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -0.648 -13.464 -3.123 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -1.317 -14.427 -4.426 1.00 0.00 H new ATOM 0 HG LEU A 115 1.126 -14.622 -4.265 1.00 0.00 H new ATOM 0 HD11 LEU A 115 1.637 -14.209 -6.640 1.00 0.00 H new ATOM 0 HD12 LEU A 115 0.035 -14.955 -6.429 1.00 0.00 H new ATOM 0 HD13 LEU A 115 0.167 -13.215 -6.778 1.00 0.00 H new ATOM 0 HD21 LEU A 115 2.561 -12.722 -4.903 1.00 0.00 H new ATOM 0 HD22 LEU A 115 1.127 -11.669 -4.972 1.00 0.00 H new ATOM 0 HD23 LEU A 115 1.634 -12.382 -3.422 1.00 0.00 H new ATOM 1888 N ASP A 116 -3.612 -12.472 -3.612 1.00 0.00 N ATOM 1889 CA ASP A 116 -5.048 -12.708 -3.511 1.00 0.00 C ATOM 1890 C ASP A 116 -5.831 -11.591 -4.193 1.00 0.00 C ATOM 1891 O ASP A 116 -6.969 -11.788 -4.620 1.00 0.00 O ATOM 1892 CB ASP A 116 -5.466 -12.820 -2.044 1.00 0.00 C ATOM 1893 CG ASP A 116 -6.679 -13.708 -1.854 1.00 0.00 C ATOM 1894 OD1 ASP A 116 -7.813 -13.193 -1.948 1.00 0.00 O ATOM 1895 OD2 ASP A 116 -6.495 -14.919 -1.612 1.00 0.00 O ATOM 0 H ASP A 116 -3.165 -12.212 -2.733 1.00 0.00 H new ATOM 0 HA ASP A 116 -5.274 -13.647 -4.017 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -4.634 -13.216 -1.462 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -5.683 -11.825 -1.654 1.00 0.00 H new ATOM 1900 N ALA A 117 -5.216 -10.417 -4.290 1.00 0.00 N ATOM 1901 CA ALA A 117 -5.855 -9.269 -4.920 1.00 0.00 C ATOM 1902 C ALA A 117 -5.383 -9.099 -6.360 1.00 0.00 C ATOM 1903 O ALA A 117 -5.846 -8.210 -7.074 1.00 0.00 O ATOM 1904 CB ALA A 117 -5.578 -8.005 -4.119 1.00 0.00 C ATOM 0 H ALA A 117 -4.275 -10.236 -3.940 1.00 0.00 H new ATOM 0 HA ALA A 117 -6.930 -9.447 -4.937 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -6.061 -7.155 -4.601 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -5.971 -8.121 -3.109 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -4.503 -7.832 -4.072 1.00 0.00 H new ATOM 1910 N ALA A 118 -4.460 -9.958 -6.780 1.00 0.00 N ATOM 1911 CA ALA A 118 -3.926 -9.903 -8.135 1.00 0.00 C ATOM 1912 C ALA A 118 -4.423 -11.080 -8.969 1.00 0.00 C ATOM 1913 O ALA A 118 -4.811 -10.914 -10.126 1.00 0.00 O ATOM 1914 CB ALA A 118 -2.405 -9.882 -8.103 1.00 0.00 C ATOM 0 H ALA A 118 -4.067 -10.700 -6.201 1.00 0.00 H new ATOM 0 HA ALA A 118 -4.281 -8.984 -8.602 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -2.020 -9.841 -9.122 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -2.065 -9.006 -7.551 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -2.039 -10.784 -7.613 1.00 0.00 H new ATOM 1920 N LEU A 119 -4.408 -12.268 -8.374 1.00 0.00 N ATOM 1921 CA LEU A 119 -4.857 -13.473 -9.062 1.00 0.00 C ATOM 1922 C LEU A 119 -6.274 -13.298 -9.599 1.00 0.00 C ATOM 1923 O LEU A 119 -6.715 -14.044 -10.473 1.00 0.00 O ATOM 1924 CB LEU A 119 -4.802 -14.674 -8.116 1.00 0.00 C ATOM 1925 CG LEU A 119 -6.067 -14.945 -7.301 1.00 0.00 C ATOM 1926 CD1 LEU A 119 -6.526 -13.680 -6.592 1.00 0.00 C ATOM 1927 CD2 LEU A 119 -7.172 -15.487 -8.196 1.00 0.00 C ATOM 0 H LEU A 119 -4.090 -12.422 -7.417 1.00 0.00 H new ATOM 0 HA LEU A 119 -4.189 -13.651 -9.905 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -4.575 -15.564 -8.703 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -3.972 -14.528 -7.424 1.00 0.00 H new ATOM 0 HG LEU A 119 -5.836 -15.697 -6.546 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -7.427 -13.892 -6.017 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -5.740 -13.334 -5.921 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -6.740 -12.907 -7.330 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -8.065 -15.674 -7.599 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -7.401 -14.758 -8.973 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -6.843 -16.418 -8.658 1.00 0.00 H new ATOM 1939 N VAL A 120 -6.983 -12.306 -9.071 1.00 0.00 N ATOM 1940 CA VAL A 120 -8.349 -12.030 -9.499 1.00 0.00 C ATOM 1941 C VAL A 120 -8.374 -11.407 -10.890 1.00 0.00 C ATOM 1942 O VAL A 120 -7.646 -10.454 -11.166 1.00 0.00 O ATOM 1943 CB VAL A 120 -9.067 -11.088 -8.514 1.00 0.00 C ATOM 1944 CG1 VAL A 120 -8.249 -9.825 -8.290 1.00 0.00 C ATOM 1945 CG2 VAL A 120 -10.460 -10.748 -9.021 1.00 0.00 C ATOM 0 H VAL A 120 -6.634 -11.680 -8.346 1.00 0.00 H new ATOM 0 HA VAL A 120 -8.872 -12.986 -9.523 1.00 0.00 H new ATOM 0 HB VAL A 120 -9.169 -11.600 -7.557 1.00 0.00 H new ATOM 0 HG11 VAL A 120 -8.772 -9.172 -7.592 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -7.275 -10.090 -7.879 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -8.113 -9.307 -9.239 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -10.952 -10.082 -8.313 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -10.384 -10.255 -9.990 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -11.043 -11.663 -9.124 1.00 0.00 H new ATOM 1955 N GLN A 121 -9.217 -11.952 -11.761 1.00 0.00 N ATOM 1956 CA GLN A 121 -9.336 -11.450 -13.125 1.00 0.00 C ATOM 1957 C GLN A 121 -10.516 -10.491 -13.250 1.00 0.00 C ATOM 1958 O GLN A 121 -11.636 -10.904 -13.553 1.00 0.00 O ATOM 1959 CB GLN A 121 -9.501 -12.611 -14.106 1.00 0.00 C ATOM 1960 CG GLN A 121 -8.350 -13.604 -14.072 1.00 0.00 C ATOM 1961 CD GLN A 121 -6.994 -12.929 -14.131 1.00 0.00 C ATOM 1962 OE1 GLN A 121 -6.595 -12.401 -15.170 1.00 0.00 O ATOM 1963 NE2 GLN A 121 -6.277 -12.941 -13.013 1.00 0.00 N ATOM 0 H GLN A 121 -9.827 -12.741 -11.547 1.00 0.00 H new ATOM 0 HA GLN A 121 -8.422 -10.907 -13.367 1.00 0.00 H new ATOM 0 HB2 GLN A 121 -10.430 -13.136 -13.882 1.00 0.00 H new ATOM 0 HB3 GLN A 121 -9.596 -12.212 -15.116 1.00 0.00 H new ATOM 0 HG2 GLN A 121 -8.416 -14.199 -13.161 1.00 0.00 H new ATOM 0 HG3 GLN A 121 -8.445 -14.293 -14.911 1.00 0.00 H new ATOM 0 HE21 GLN A 121 -6.646 -13.390 -12.175 1.00 0.00 H new ATOM 0 HE22 GLN A 121 -5.357 -12.501 -12.992 1.00 0.00 H new ATOM 1972 N THR A 122 -10.258 -9.208 -13.016 1.00 0.00 N ATOM 1973 CA THR A 122 -11.298 -8.191 -13.101 1.00 0.00 C ATOM 1974 C THR A 122 -10.698 -6.808 -13.320 1.00 0.00 C ATOM 1975 O THR A 122 -9.497 -6.606 -13.140 1.00 0.00 O ATOM 1976 CB THR A 122 -12.165 -8.167 -11.828 1.00 0.00 C ATOM 1977 OG1 THR A 122 -13.435 -7.569 -12.112 1.00 0.00 O ATOM 1978 CG2 THR A 122 -11.472 -7.394 -10.717 1.00 0.00 C ATOM 0 H THR A 122 -9.337 -8.849 -12.766 1.00 0.00 H new ATOM 0 HA THR A 122 -11.925 -8.451 -13.954 1.00 0.00 H new ATOM 0 HB THR A 122 -12.314 -9.195 -11.496 1.00 0.00 H new ATOM 0 HG1 THR A 122 -13.981 -7.559 -11.298 1.00 0.00 H new ATOM 0 HG21 THR A 122 -12.103 -7.390 -9.828 1.00 0.00 H new ATOM 0 HG22 THR A 122 -10.519 -7.868 -10.484 1.00 0.00 H new ATOM 0 HG23 THR A 122 -11.297 -6.368 -11.042 1.00 0.00 H new ATOM 1986 N SER A 123 -11.541 -5.857 -13.710 1.00 0.00 N ATOM 1987 CA SER A 123 -11.092 -4.491 -13.957 1.00 0.00 C ATOM 1988 C SER A 123 -9.811 -4.482 -14.784 1.00 0.00 C ATOM 1989 O SER A 123 -8.820 -3.856 -14.409 1.00 0.00 O ATOM 1990 CB SER A 123 -10.863 -3.760 -12.632 1.00 0.00 C ATOM 1991 OG SER A 123 -12.047 -3.119 -12.192 1.00 0.00 O ATOM 0 H SER A 123 -12.538 -6.007 -13.862 1.00 0.00 H new ATOM 0 HA SER A 123 -11.870 -3.974 -14.519 1.00 0.00 H new ATOM 0 HB2 SER A 123 -10.527 -4.469 -11.875 1.00 0.00 H new ATOM 0 HB3 SER A 123 -10.070 -3.022 -12.752 1.00 0.00 H new ATOM 0 HG SER A 123 -11.875 -2.661 -11.343 1.00 0.00 H new ATOM 1997 N GLY A 124 -9.838 -5.182 -15.915 1.00 0.00 N ATOM 1998 CA GLY A 124 -8.674 -5.242 -16.779 1.00 0.00 C ATOM 1999 C GLY A 124 -8.812 -6.290 -17.865 1.00 0.00 C ATOM 2000 O GLY A 124 -9.214 -5.999 -18.991 1.00 0.00 O ATOM 0 H GLY A 124 -10.646 -5.708 -16.248 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -8.515 -4.266 -17.238 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -7.791 -5.459 -16.179 1.00 0.00 H new ATOM 2004 N PRO A 125 -8.470 -7.544 -17.530 1.00 0.00 N ATOM 2005 CA PRO A 125 -8.548 -8.664 -18.472 1.00 0.00 C ATOM 2006 C PRO A 125 -9.981 -9.135 -18.695 1.00 0.00 C ATOM 2007 O PRO A 125 -10.775 -9.205 -17.757 1.00 0.00 O ATOM 2008 CB PRO A 125 -7.726 -9.760 -17.789 1.00 0.00 C ATOM 2009 CG PRO A 125 -7.835 -9.463 -16.333 1.00 0.00 C ATOM 2010 CD PRO A 125 -7.983 -7.963 -16.205 1.00 0.00 C ATOM 0 HA PRO A 125 -8.181 -8.390 -19.461 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -8.117 -10.751 -18.021 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -6.688 -9.741 -18.120 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -8.693 -9.975 -15.897 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -6.951 -9.811 -15.800 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -8.687 -7.696 -15.417 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -7.034 -7.487 -15.959 1.00 0.00 H new ATOM 2018 N SER A 126 -10.306 -9.457 -19.943 1.00 0.00 N ATOM 2019 CA SER A 126 -11.645 -9.918 -20.290 1.00 0.00 C ATOM 2020 C SER A 126 -11.673 -11.435 -20.448 1.00 0.00 C ATOM 2021 O SER A 126 -12.324 -12.139 -19.676 1.00 0.00 O ATOM 2022 CB SER A 126 -12.118 -9.251 -21.583 1.00 0.00 C ATOM 2023 OG SER A 126 -13.531 -9.289 -21.689 1.00 0.00 O ATOM 0 H SER A 126 -9.660 -9.407 -20.731 1.00 0.00 H new ATOM 0 HA SER A 126 -12.319 -9.642 -19.479 1.00 0.00 H new ATOM 0 HB2 SER A 126 -11.776 -8.216 -21.608 1.00 0.00 H new ATOM 0 HB3 SER A 126 -11.672 -9.755 -22.440 1.00 0.00 H new ATOM 0 HG SER A 126 -13.808 -8.855 -22.523 1.00 0.00 H new ATOM 2029 N SER A 127 -10.961 -11.932 -21.455 1.00 0.00 N ATOM 2030 CA SER A 127 -10.907 -13.366 -21.718 1.00 0.00 C ATOM 2031 C SER A 127 -9.583 -13.748 -22.373 1.00 0.00 C ATOM 2032 O SER A 127 -8.838 -12.888 -22.841 1.00 0.00 O ATOM 2033 CB SER A 127 -12.073 -13.786 -22.615 1.00 0.00 C ATOM 2034 OG SER A 127 -12.226 -15.195 -22.626 1.00 0.00 O ATOM 0 H SER A 127 -10.414 -11.364 -22.102 1.00 0.00 H new ATOM 0 HA SER A 127 -10.985 -13.889 -20.765 1.00 0.00 H new ATOM 0 HB2 SER A 127 -12.993 -13.320 -22.263 1.00 0.00 H new ATOM 0 HB3 SER A 127 -11.902 -13.428 -23.630 1.00 0.00 H new ATOM 0 HG SER A 127 -12.979 -15.438 -23.205 1.00 0.00 H new ATOM 2040 N GLY A 128 -9.297 -15.046 -22.401 1.00 0.00 N ATOM 2041 CA GLY A 128 -8.063 -15.521 -23.001 1.00 0.00 C ATOM 2042 C GLY A 128 -8.243 -16.836 -23.733 1.00 0.00 C ATOM 2043 O GLY A 128 -7.453 -17.176 -24.614 1.00 0.00 O ATOM 0 H GLY A 128 -9.897 -15.777 -22.019 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -7.688 -14.770 -23.696 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -7.308 -15.641 -22.224 1.00 0.00 H new TER 2047 GLY A 128