USER MOD reduce.3.24.130724 H: found=0, std=0, add=1082, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 1076 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 125 LYS NZ :NH3+ 147:sc= -2.32! (180deg=-3.84!) USER MOD Set 1.2: A 127 HIS : no HD1:sc= -2.78 X(o=-5.1,f=-5.6!) USER MOD Set 1.3: A 130 ASN : amide:sc= 0 X(o=-5.1,f=-5.2) USER MOD Set 2.1: A 85 GLN :FLIP amide:sc= -3.94! C(o=-4.1!,f=-3.4!) USER MOD Set 2.2: A 88 CYS SG : rot 61:sc= 0.519 USER MOD Set 3.1: A 71 THR OG1 : rot 158:sc= -0.131 USER MOD Set 3.2: A 73 HIS : no HD1:sc= -9.65! C(o=-36!,f=-40!) USER MOD Set 3.3: A 75 HIS : no HE2:sc= -26! C(o=-36!,f=-50!) USER MOD Set 4.1: A 60 ASN : amide:sc= -7.71! C(o=-18!,f=-27!) USER MOD Set 4.2: A 65 ASN : amide:sc= -10.2! C(o=-18!,f=-20!) USER MOD Set 5.1: A 57 SER OG : rot -127:sc= -3.78! USER MOD Set 5.2: A 59 HIS : no HE2:sc= -9.76! C(o=-14!,f=-20!) USER MOD Set 6.1: A 39 LYS NZ :NH3+ 152:sc= -2.05! (180deg=-2.97!) USER MOD Set 6.2: A 91 SER OG : rot 180:sc= -0.191 USER MOD Set 7.1: A 34 TYR OH : rot -51:sc= 0.0658 USER MOD Set 7.2: A 64 HIS : no HD1:sc= -8.74! C(o=-8.7!,f=-8.7!) USER MOD Set 8.1: A 19 SER OG : rot 180:sc= 0 USER MOD Set 8.2: A 99 ASN : amide:sc= -0.904 K(o=-0.9,f=-3.9!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 HIS :FLIP no HD1:sc= -1.12 F(o=-2.1!,f=-1.1) USER MOD Single : A 24 SER OG : rot 180:sc= 0.00601 USER MOD Single : A 25 ASN : amide:sc= -0.12 K(o=-0.12,f=-2.2!) USER MOD Single : A 27 THR OG1 : rot -140:sc=0.000575 USER MOD Single : A 30 CYS SG : rot -150:sc= -7! USER MOD Single : A 35 THR OG1 : rot -160:sc= -2.24! USER MOD Single : A 36 THR OG1 : rot 180:sc= -2.98! USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 73:sc= 0.317 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 MET CE :methyl -125:sc= -8.47! (180deg=-16.6!) USER MOD Single : A 50 LYS NZ :NH3+ -140:sc= -1.18 (180deg=-1.79) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= -0.11 USER MOD Single : A 54 THR OG1 : rot 120:sc= -0.684 USER MOD Single : A 61 SER OG : rot 180:sc= 0.00469 USER MOD Single : A 62 TYR OH : rot -86:sc= -0.0828 USER MOD Single : A 63 ASN : amide:sc= -0.867 X(o=-0.87,f=-0.91) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -0.742 K(o=-0.74,f=-1.6) USER MOD Single : A 82 ASN : amide:sc= -0.0744 X(o=-0.074,f=-0.31) USER MOD Single : A 83 TYR OH : rot 22:sc= -4.6! USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 64:sc= 2.12 USER MOD Single : A 95 CYS SG : rot -7:sc= -3.93! USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 MET CE :methyl 179:sc= -4.43! (180deg=-4.53!) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 101:sc= 0.342 USER MOD Single : A 109 THR OG1 : rot -59:sc= 1.22 USER MOD Single : A 114 SER OG : rot 180:sc= 0.0228 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 133 SER OG : rot 180:sc= 0 USER MOD Single : A 134 SER OG : rot 180:sc= 0.00333 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 111.050 -1.963 25.001 1.00 0.00 N ATOM 2 CA GLY A 1 112.080 -2.596 25.936 1.00 0.00 C ATOM 3 C GLY A 1 113.533 -2.424 25.649 1.00 0.00 C ATOM 4 O GLY A 1 113.939 -1.479 25.002 1.00 0.00 O ATOM 0 H1 GLY A 1 110.092 -2.178 25.343 1.00 0.00 H new ATOM 0 H2 GLY A 1 111.187 -0.932 24.980 1.00 0.00 H new ATOM 0 H3 GLY A 1 111.169 -2.347 24.042 1.00 0.00 H new ATOM 0 HA2 GLY A 1 111.896 -2.206 26.937 1.00 0.00 H new ATOM 0 HA3 GLY A 1 111.878 -3.667 25.969 1.00 0.00 H new ATOM 10 N SER A 2 114.352 -3.325 26.117 1.00 0.00 N ATOM 11 CA SER A 2 115.815 -3.206 25.863 1.00 0.00 C ATOM 12 C SER A 2 116.242 -4.259 24.837 1.00 0.00 C ATOM 13 O SER A 2 117.415 -4.494 24.627 1.00 0.00 O ATOM 14 CB SER A 2 116.579 -3.426 27.169 1.00 0.00 C ATOM 15 OG SER A 2 117.266 -2.231 27.517 1.00 0.00 O ATOM 0 H SER A 2 114.071 -4.139 26.664 1.00 0.00 H new ATOM 0 HA SER A 2 116.037 -2.211 25.476 1.00 0.00 H new ATOM 0 HB2 SER A 2 115.889 -3.708 27.965 1.00 0.00 H new ATOM 0 HB3 SER A 2 117.287 -4.247 27.056 1.00 0.00 H new ATOM 0 HG SER A 2 117.756 -2.367 28.355 1.00 0.00 H new ATOM 21 N LYS A 3 115.298 -4.895 24.198 1.00 0.00 N ATOM 22 CA LYS A 3 115.652 -5.931 23.187 1.00 0.00 C ATOM 23 C LYS A 3 114.822 -5.708 21.920 1.00 0.00 C ATOM 24 O LYS A 3 113.816 -5.026 21.940 1.00 0.00 O ATOM 25 CB LYS A 3 115.354 -7.320 23.755 1.00 0.00 C ATOM 26 CG LYS A 3 116.176 -7.539 25.027 1.00 0.00 C ATOM 27 CD LYS A 3 116.054 -8.999 25.470 1.00 0.00 C ATOM 28 CE LYS A 3 114.833 -9.156 26.377 1.00 0.00 C ATOM 29 NZ LYS A 3 115.141 -10.133 27.459 1.00 0.00 N ATOM 0 H LYS A 3 114.298 -4.742 24.332 1.00 0.00 H new ATOM 0 HA LYS A 3 116.712 -5.858 22.945 1.00 0.00 H new ATOM 0 HB2 LYS A 3 114.291 -7.414 23.976 1.00 0.00 H new ATOM 0 HB3 LYS A 3 115.595 -8.085 23.017 1.00 0.00 H new ATOM 0 HG2 LYS A 3 117.221 -7.290 24.844 1.00 0.00 H new ATOM 0 HG3 LYS A 3 115.824 -6.877 25.818 1.00 0.00 H new ATOM 0 HD2 LYS A 3 115.959 -9.648 24.599 1.00 0.00 H new ATOM 0 HD3 LYS A 3 116.956 -9.306 26.000 1.00 0.00 H new ATOM 0 HE2 LYS A 3 114.561 -8.193 26.809 1.00 0.00 H new ATOM 0 HE3 LYS A 3 113.977 -9.498 25.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 114.311 -10.240 28.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 115.381 -11.053 27.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 115.947 -9.788 28.019 1.00 0.00 H new ATOM 43 N VAL A 4 115.238 -6.274 20.820 1.00 0.00 N ATOM 44 CA VAL A 4 114.478 -6.093 19.551 1.00 0.00 C ATOM 45 C VAL A 4 112.977 -6.207 19.826 1.00 0.00 C ATOM 46 O VAL A 4 112.522 -7.137 20.462 1.00 0.00 O ATOM 47 CB VAL A 4 114.893 -7.173 18.551 1.00 0.00 C ATOM 48 CG1 VAL A 4 114.710 -8.553 19.187 1.00 0.00 C ATOM 49 CG2 VAL A 4 114.018 -7.071 17.300 1.00 0.00 C ATOM 0 H VAL A 4 116.073 -6.855 20.746 1.00 0.00 H new ATOM 0 HA VAL A 4 114.696 -5.108 19.139 1.00 0.00 H new ATOM 0 HB VAL A 4 115.939 -7.033 18.277 1.00 0.00 H new ATOM 0 HG11 VAL A 4 115.005 -9.324 18.475 1.00 0.00 H new ATOM 0 HG12 VAL A 4 115.330 -8.627 20.080 1.00 0.00 H new ATOM 0 HG13 VAL A 4 113.664 -8.692 19.459 1.00 0.00 H new ATOM 0 HG21 VAL A 4 114.313 -7.840 16.586 1.00 0.00 H new ATOM 0 HG22 VAL A 4 112.973 -7.212 17.575 1.00 0.00 H new ATOM 0 HG23 VAL A 4 114.144 -6.088 16.847 1.00 0.00 H new ATOM 59 N GLU A 5 112.205 -5.269 19.351 1.00 0.00 N ATOM 60 CA GLU A 5 110.735 -5.326 19.583 1.00 0.00 C ATOM 61 C GLU A 5 110.004 -5.143 18.251 1.00 0.00 C ATOM 62 O GLU A 5 110.613 -5.085 17.202 1.00 0.00 O ATOM 63 CB GLU A 5 110.327 -4.212 20.549 1.00 0.00 C ATOM 64 CG GLU A 5 109.416 -4.785 21.636 1.00 0.00 C ATOM 65 CD GLU A 5 108.852 -3.644 22.485 1.00 0.00 C ATOM 66 OE1 GLU A 5 108.799 -2.532 21.987 1.00 0.00 O ATOM 67 OE2 GLU A 5 108.482 -3.902 23.619 1.00 0.00 O ATOM 0 H GLU A 5 112.529 -4.466 18.812 1.00 0.00 H new ATOM 0 HA GLU A 5 110.470 -6.292 20.013 1.00 0.00 H new ATOM 0 HB2 GLU A 5 111.213 -3.766 21.001 1.00 0.00 H new ATOM 0 HB3 GLU A 5 109.811 -3.419 20.008 1.00 0.00 H new ATOM 0 HG2 GLU A 5 108.602 -5.351 21.182 1.00 0.00 H new ATOM 0 HG3 GLU A 5 109.974 -5.478 22.265 1.00 0.00 H new ATOM 74 N ASP A 6 108.703 -5.053 18.283 1.00 0.00 N ATOM 75 CA ASP A 6 107.937 -4.874 17.017 1.00 0.00 C ATOM 76 C ASP A 6 107.917 -3.387 16.640 1.00 0.00 C ATOM 77 O ASP A 6 107.585 -2.552 17.457 1.00 0.00 O ATOM 78 CB ASP A 6 106.502 -5.365 17.219 1.00 0.00 C ATOM 79 CG ASP A 6 106.333 -6.738 16.566 1.00 0.00 C ATOM 80 OD1 ASP A 6 107.338 -7.391 16.337 1.00 0.00 O ATOM 81 OD2 ASP A 6 105.202 -7.112 16.306 1.00 0.00 O ATOM 0 H ASP A 6 108.137 -5.096 19.131 1.00 0.00 H new ATOM 0 HA ASP A 6 108.411 -5.447 16.220 1.00 0.00 H new ATOM 0 HB2 ASP A 6 106.274 -5.427 18.283 1.00 0.00 H new ATOM 0 HB3 ASP A 6 105.799 -4.655 16.783 1.00 0.00 H new ATOM 86 N PRO A 7 108.274 -3.097 15.412 1.00 0.00 N ATOM 87 CA PRO A 7 108.303 -1.713 14.903 1.00 0.00 C ATOM 88 C PRO A 7 106.888 -1.242 14.554 1.00 0.00 C ATOM 89 O PRO A 7 106.165 -1.901 13.834 1.00 0.00 O ATOM 90 CB PRO A 7 109.169 -1.810 13.646 1.00 0.00 C ATOM 91 CG PRO A 7 109.111 -3.287 13.189 1.00 0.00 C ATOM 92 CD PRO A 7 108.681 -4.112 14.417 1.00 0.00 C ATOM 0 HA PRO A 7 108.691 -0.998 15.628 1.00 0.00 H new ATOM 0 HB2 PRO A 7 108.796 -1.147 12.865 1.00 0.00 H new ATOM 0 HB3 PRO A 7 110.195 -1.509 13.857 1.00 0.00 H new ATOM 0 HG2 PRO A 7 108.402 -3.412 12.371 1.00 0.00 H new ATOM 0 HG3 PRO A 7 110.083 -3.617 12.821 1.00 0.00 H new ATOM 0 HD2 PRO A 7 107.859 -4.786 14.176 1.00 0.00 H new ATOM 0 HD3 PRO A 7 109.499 -4.728 14.789 1.00 0.00 H new ATOM 100 N LYS A 8 106.489 -0.106 15.058 1.00 0.00 N ATOM 101 CA LYS A 8 105.124 0.404 14.749 1.00 0.00 C ATOM 102 C LYS A 8 105.140 1.111 13.393 1.00 0.00 C ATOM 103 O LYS A 8 104.111 1.486 12.865 1.00 0.00 O ATOM 104 CB LYS A 8 104.689 1.393 15.834 1.00 0.00 C ATOM 105 CG LYS A 8 105.161 0.895 17.202 1.00 0.00 C ATOM 106 CD LYS A 8 106.388 1.697 17.641 1.00 0.00 C ATOM 107 CE LYS A 8 106.176 2.213 19.066 1.00 0.00 C ATOM 108 NZ LYS A 8 107.342 3.048 19.470 1.00 0.00 N ATOM 0 H LYS A 8 107.048 0.489 15.669 1.00 0.00 H new ATOM 0 HA LYS A 8 104.424 -0.431 14.717 1.00 0.00 H new ATOM 0 HB2 LYS A 8 105.107 2.379 15.630 1.00 0.00 H new ATOM 0 HB3 LYS A 8 103.604 1.500 15.829 1.00 0.00 H new ATOM 0 HG2 LYS A 8 104.362 1.002 17.935 1.00 0.00 H new ATOM 0 HG3 LYS A 8 105.406 -0.166 17.150 1.00 0.00 H new ATOM 0 HD2 LYS A 8 107.279 1.071 17.598 1.00 0.00 H new ATOM 0 HD3 LYS A 8 106.552 2.533 16.961 1.00 0.00 H new ATOM 0 HE2 LYS A 8 105.259 2.800 19.119 1.00 0.00 H new ATOM 0 HE3 LYS A 8 106.059 1.376 19.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 107.199 3.399 20.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 108.209 2.474 19.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 107.434 3.854 18.820 1.00 0.00 H new ATOM 122 N ASP A 9 106.300 1.299 12.824 1.00 0.00 N ATOM 123 CA ASP A 9 106.380 1.982 11.502 1.00 0.00 C ATOM 124 C ASP A 9 107.826 1.957 11.003 1.00 0.00 C ATOM 125 O ASP A 9 108.683 1.327 11.589 1.00 0.00 O ATOM 126 CB ASP A 9 105.919 3.433 11.652 1.00 0.00 C ATOM 127 CG ASP A 9 106.880 4.182 12.576 1.00 0.00 C ATOM 128 OD1 ASP A 9 107.053 3.742 13.700 1.00 0.00 O ATOM 129 OD2 ASP A 9 107.429 5.183 12.144 1.00 0.00 O ATOM 0 H ASP A 9 107.195 1.009 13.218 1.00 0.00 H new ATOM 0 HA ASP A 9 105.739 1.467 10.786 1.00 0.00 H new ATOM 0 HB2 ASP A 9 105.885 3.917 10.676 1.00 0.00 H new ATOM 0 HB3 ASP A 9 104.908 3.464 12.059 1.00 0.00 H new ATOM 134 N PHE A 10 108.109 2.647 9.931 1.00 0.00 N ATOM 135 CA PHE A 10 109.504 2.667 9.407 1.00 0.00 C ATOM 136 C PHE A 10 110.439 3.083 10.547 1.00 0.00 C ATOM 137 O PHE A 10 109.992 3.615 11.543 1.00 0.00 O ATOM 138 CB PHE A 10 109.613 3.690 8.269 1.00 0.00 C ATOM 139 CG PHE A 10 109.070 3.116 6.975 1.00 0.00 C ATOM 140 CD1 PHE A 10 107.764 2.606 6.914 1.00 0.00 C ATOM 141 CD2 PHE A 10 109.873 3.111 5.825 1.00 0.00 C ATOM 142 CE1 PHE A 10 107.267 2.093 5.710 1.00 0.00 C ATOM 143 CE2 PHE A 10 109.373 2.595 4.621 1.00 0.00 C ATOM 144 CZ PHE A 10 108.071 2.087 4.564 1.00 0.00 C ATOM 0 H PHE A 10 107.436 3.196 9.397 1.00 0.00 H new ATOM 0 HA PHE A 10 109.775 1.681 9.030 1.00 0.00 H new ATOM 0 HB2 PHE A 10 109.061 4.593 8.531 1.00 0.00 H new ATOM 0 HB3 PHE A 10 110.655 3.981 8.134 1.00 0.00 H new ATOM 0 HD1 PHE A 10 107.142 2.609 7.797 1.00 0.00 H new ATOM 0 HD2 PHE A 10 110.878 3.505 5.867 1.00 0.00 H new ATOM 0 HE1 PHE A 10 106.262 1.701 5.665 1.00 0.00 H new ATOM 0 HE2 PHE A 10 109.994 2.590 3.737 1.00 0.00 H new ATOM 0 HZ PHE A 10 107.686 1.690 3.636 1.00 0.00 H new ATOM 154 N PRO A 11 111.710 2.837 10.368 1.00 0.00 N ATOM 155 CA PRO A 11 112.727 3.188 11.372 1.00 0.00 C ATOM 156 C PRO A 11 113.044 4.685 11.293 1.00 0.00 C ATOM 157 O PRO A 11 112.712 5.347 10.331 1.00 0.00 O ATOM 158 CB PRO A 11 113.934 2.333 10.976 1.00 0.00 C ATOM 159 CG PRO A 11 113.744 1.976 9.482 1.00 0.00 C ATOM 160 CD PRO A 11 112.252 2.189 9.158 1.00 0.00 C ATOM 0 HA PRO A 11 112.412 3.002 12.399 1.00 0.00 H new ATOM 0 HB2 PRO A 11 114.864 2.880 11.130 1.00 0.00 H new ATOM 0 HB3 PRO A 11 113.989 1.432 11.587 1.00 0.00 H new ATOM 0 HG2 PRO A 11 114.370 2.607 8.851 1.00 0.00 H new ATOM 0 HG3 PRO A 11 114.037 0.944 9.291 1.00 0.00 H new ATOM 0 HD2 PRO A 11 112.121 2.817 8.277 1.00 0.00 H new ATOM 0 HD3 PRO A 11 111.750 1.244 8.953 1.00 0.00 H new ATOM 168 N SER A 12 113.670 5.227 12.301 1.00 0.00 N ATOM 169 CA SER A 12 113.991 6.684 12.285 1.00 0.00 C ATOM 170 C SER A 12 114.995 6.988 11.170 1.00 0.00 C ATOM 171 O SER A 12 115.048 8.088 10.655 1.00 0.00 O ATOM 172 CB SER A 12 114.588 7.087 13.633 1.00 0.00 C ATOM 173 OG SER A 12 115.263 8.330 13.495 1.00 0.00 O ATOM 0 H SER A 12 113.974 4.725 13.135 1.00 0.00 H new ATOM 0 HA SER A 12 113.077 7.250 12.104 1.00 0.00 H new ATOM 0 HB2 SER A 12 113.801 7.169 14.382 1.00 0.00 H new ATOM 0 HB3 SER A 12 115.281 6.321 13.981 1.00 0.00 H new ATOM 0 HG SER A 12 115.646 8.592 14.358 1.00 0.00 H new ATOM 179 N GLU A 13 115.796 6.029 10.793 1.00 0.00 N ATOM 180 CA GLU A 13 116.796 6.276 9.715 1.00 0.00 C ATOM 181 C GLU A 13 116.082 6.443 8.370 1.00 0.00 C ATOM 182 O GLU A 13 116.699 6.731 7.364 1.00 0.00 O ATOM 183 CB GLU A 13 117.766 5.094 9.639 1.00 0.00 C ATOM 184 CG GLU A 13 119.096 5.485 10.286 1.00 0.00 C ATOM 185 CD GLU A 13 120.248 5.139 9.340 1.00 0.00 C ATOM 186 OE1 GLU A 13 120.450 5.877 8.390 1.00 0.00 O ATOM 187 OE2 GLU A 13 120.906 4.140 9.581 1.00 0.00 O ATOM 0 H GLU A 13 115.802 5.087 11.184 1.00 0.00 H new ATOM 0 HA GLU A 13 117.350 7.188 9.940 1.00 0.00 H new ATOM 0 HB2 GLU A 13 117.342 4.228 10.148 1.00 0.00 H new ATOM 0 HB3 GLU A 13 117.925 4.806 8.600 1.00 0.00 H new ATOM 0 HG2 GLU A 13 119.104 6.552 10.510 1.00 0.00 H new ATOM 0 HG3 GLU A 13 119.220 4.960 11.233 1.00 0.00 H new ATOM 194 N LEU A 14 114.789 6.267 8.343 1.00 0.00 N ATOM 195 CA LEU A 14 114.043 6.418 7.061 1.00 0.00 C ATOM 196 C LEU A 14 112.883 7.398 7.255 1.00 0.00 C ATOM 197 O LEU A 14 112.144 7.688 6.334 1.00 0.00 O ATOM 198 CB LEU A 14 113.489 5.060 6.622 1.00 0.00 C ATOM 199 CG LEU A 14 114.619 4.190 6.069 1.00 0.00 C ATOM 200 CD1 LEU A 14 115.430 4.984 5.044 1.00 0.00 C ATOM 201 CD2 LEU A 14 115.534 3.757 7.215 1.00 0.00 C ATOM 0 H LEU A 14 114.217 6.025 9.152 1.00 0.00 H new ATOM 0 HA LEU A 14 114.720 6.799 6.296 1.00 0.00 H new ATOM 0 HB2 LEU A 14 113.014 4.561 7.467 1.00 0.00 H new ATOM 0 HB3 LEU A 14 112.721 5.200 5.862 1.00 0.00 H new ATOM 0 HG LEU A 14 114.193 3.310 5.587 1.00 0.00 H new ATOM 0 HD11 LEU A 14 116.234 4.360 4.653 1.00 0.00 H new ATOM 0 HD12 LEU A 14 114.780 5.293 4.226 1.00 0.00 H new ATOM 0 HD13 LEU A 14 115.856 5.866 5.522 1.00 0.00 H new ATOM 0 HD21 LEU A 14 116.340 3.137 6.823 1.00 0.00 H new ATOM 0 HD22 LEU A 14 115.956 4.639 7.697 1.00 0.00 H new ATOM 0 HD23 LEU A 14 114.959 3.186 7.944 1.00 0.00 H new ATOM 213 N LEU A 15 112.714 7.913 8.442 1.00 0.00 N ATOM 214 CA LEU A 15 111.601 8.873 8.681 1.00 0.00 C ATOM 215 C LEU A 15 112.068 10.286 8.329 1.00 0.00 C ATOM 216 O LEU A 15 111.438 11.265 8.676 1.00 0.00 O ATOM 217 CB LEU A 15 111.187 8.821 10.154 1.00 0.00 C ATOM 218 CG LEU A 15 110.612 7.440 10.472 1.00 0.00 C ATOM 219 CD1 LEU A 15 110.751 7.161 11.970 1.00 0.00 C ATOM 220 CD2 LEU A 15 109.133 7.401 10.081 1.00 0.00 C ATOM 0 H LEU A 15 113.297 7.711 9.254 1.00 0.00 H new ATOM 0 HA LEU A 15 110.748 8.605 8.058 1.00 0.00 H new ATOM 0 HB2 LEU A 15 112.047 9.025 10.792 1.00 0.00 H new ATOM 0 HB3 LEU A 15 110.446 9.592 10.362 1.00 0.00 H new ATOM 0 HG LEU A 15 111.157 6.682 9.910 1.00 0.00 H new ATOM 0 HD11 LEU A 15 110.341 6.177 12.196 1.00 0.00 H new ATOM 0 HD12 LEU A 15 111.804 7.188 12.249 1.00 0.00 H new ATOM 0 HD13 LEU A 15 110.207 7.919 12.533 1.00 0.00 H new ATOM 0 HD21 LEU A 15 108.723 6.417 10.307 1.00 0.00 H new ATOM 0 HD22 LEU A 15 108.588 8.159 10.643 1.00 0.00 H new ATOM 0 HD23 LEU A 15 109.033 7.599 9.014 1.00 0.00 H new ATOM 232 N SER A 16 113.170 10.399 7.639 1.00 0.00 N ATOM 233 CA SER A 16 113.682 11.746 7.261 1.00 0.00 C ATOM 234 C SER A 16 113.045 12.182 5.939 1.00 0.00 C ATOM 235 O SER A 16 113.191 13.310 5.513 1.00 0.00 O ATOM 236 CB SER A 16 115.200 11.688 7.098 1.00 0.00 C ATOM 237 OG SER A 16 115.818 12.207 8.268 1.00 0.00 O ATOM 0 H SER A 16 113.739 9.615 7.320 1.00 0.00 H new ATOM 0 HA SER A 16 113.427 12.462 8.042 1.00 0.00 H new ATOM 0 HB2 SER A 16 115.520 10.660 6.929 1.00 0.00 H new ATOM 0 HB3 SER A 16 115.506 12.264 6.225 1.00 0.00 H new ATOM 0 HG SER A 16 116.792 12.170 8.167 1.00 0.00 H new ATOM 243 N PHE A 17 112.336 11.300 5.289 1.00 0.00 N ATOM 244 CA PHE A 17 111.690 11.674 3.999 1.00 0.00 C ATOM 245 C PHE A 17 110.532 10.720 3.697 1.00 0.00 C ATOM 246 O PHE A 17 110.676 9.769 2.952 1.00 0.00 O ATOM 247 CB PHE A 17 112.715 11.615 2.861 1.00 0.00 C ATOM 248 CG PHE A 17 113.651 10.438 3.042 1.00 0.00 C ATOM 249 CD1 PHE A 17 113.251 9.306 3.765 1.00 0.00 C ATOM 250 CD2 PHE A 17 114.927 10.480 2.468 1.00 0.00 C ATOM 251 CE1 PHE A 17 114.126 8.225 3.913 1.00 0.00 C ATOM 252 CE2 PHE A 17 115.803 9.399 2.613 1.00 0.00 C ATOM 253 CZ PHE A 17 115.402 8.270 3.337 1.00 0.00 C ATOM 0 H PHE A 17 112.176 10.340 5.594 1.00 0.00 H new ATOM 0 HA PHE A 17 111.305 12.690 4.082 1.00 0.00 H new ATOM 0 HB2 PHE A 17 112.199 11.532 1.905 1.00 0.00 H new ATOM 0 HB3 PHE A 17 113.289 12.541 2.834 1.00 0.00 H new ATOM 0 HD1 PHE A 17 112.267 9.268 4.208 1.00 0.00 H new ATOM 0 HD2 PHE A 17 115.237 11.351 1.910 1.00 0.00 H new ATOM 0 HE1 PHE A 17 113.817 7.354 4.472 1.00 0.00 H new ATOM 0 HE2 PHE A 17 116.786 9.435 2.168 1.00 0.00 H new ATOM 0 HZ PHE A 17 116.076 7.434 3.451 1.00 0.00 H new ATOM 263 N LEU A 18 109.384 10.969 4.263 1.00 0.00 N ATOM 264 CA LEU A 18 108.217 10.081 4.003 1.00 0.00 C ATOM 265 C LEU A 18 106.952 10.933 3.880 1.00 0.00 C ATOM 266 O LEU A 18 106.953 12.110 4.181 1.00 0.00 O ATOM 267 CB LEU A 18 108.061 9.091 5.159 1.00 0.00 C ATOM 268 CG LEU A 18 109.041 7.932 4.972 1.00 0.00 C ATOM 269 CD1 LEU A 18 108.809 6.884 6.061 1.00 0.00 C ATOM 270 CD2 LEU A 18 108.819 7.296 3.598 1.00 0.00 C ATOM 0 H LEU A 18 109.204 11.749 4.895 1.00 0.00 H new ATOM 0 HA LEU A 18 108.375 9.529 3.076 1.00 0.00 H new ATOM 0 HB2 LEU A 18 108.250 9.591 6.109 1.00 0.00 H new ATOM 0 HB3 LEU A 18 107.039 8.715 5.195 1.00 0.00 H new ATOM 0 HG LEU A 18 110.063 8.306 5.041 1.00 0.00 H new ATOM 0 HD11 LEU A 18 109.508 6.059 5.926 1.00 0.00 H new ATOM 0 HD12 LEU A 18 108.966 7.336 7.040 1.00 0.00 H new ATOM 0 HD13 LEU A 18 107.788 6.509 5.994 1.00 0.00 H new ATOM 0 HD21 LEU A 18 109.517 6.470 3.463 1.00 0.00 H new ATOM 0 HD22 LEU A 18 107.797 6.923 3.531 1.00 0.00 H new ATOM 0 HD23 LEU A 18 108.985 8.042 2.821 1.00 0.00 H new ATOM 282 N SER A 19 105.871 10.351 3.436 1.00 0.00 N ATOM 283 CA SER A 19 104.612 11.133 3.290 1.00 0.00 C ATOM 284 C SER A 19 103.937 11.282 4.655 1.00 0.00 C ATOM 285 O SER A 19 103.269 12.261 4.922 1.00 0.00 O ATOM 286 CB SER A 19 103.668 10.401 2.336 1.00 0.00 C ATOM 287 OG SER A 19 102.772 11.339 1.752 1.00 0.00 O ATOM 0 H SER A 19 105.806 9.369 3.169 1.00 0.00 H new ATOM 0 HA SER A 19 104.844 12.120 2.891 1.00 0.00 H new ATOM 0 HB2 SER A 19 104.239 9.893 1.559 1.00 0.00 H new ATOM 0 HB3 SER A 19 103.111 9.634 2.874 1.00 0.00 H new ATOM 0 HG SER A 19 102.166 10.874 1.138 1.00 0.00 H new ATOM 293 N HIS A 20 104.107 10.322 5.522 1.00 0.00 N ATOM 294 CA HIS A 20 103.473 10.414 6.868 1.00 0.00 C ATOM 295 C HIS A 20 101.956 10.522 6.708 1.00 0.00 C ATOM 296 O HIS A 20 101.336 11.448 7.193 1.00 0.00 O ATOM 297 CB HIS A 20 103.998 11.652 7.597 1.00 0.00 C ATOM 298 CG HIS A 20 105.492 11.560 7.732 1.00 0.00 C ATOM 299 ND1 HIS A 20 106.485 12.496 7.585 1.00 0.00 N flip ATOM 300 CD2 HIS A 20 106.132 10.377 8.062 1.00 0.00 C flip ATOM 301 CE1 HIS A 20 107.723 11.906 7.819 1.00 0.00 C flip ATOM 302 NE2 HIS A 20 107.454 10.629 8.102 1.00 0.00 N flip ATOM 0 H HIS A 20 104.657 9.479 5.357 1.00 0.00 H new ATOM 0 HA HIS A 20 103.716 9.523 7.446 1.00 0.00 H new ATOM 0 HB2 HIS A 20 103.727 12.553 7.047 1.00 0.00 H new ATOM 0 HB3 HIS A 20 103.538 11.729 8.582 1.00 0.00 H new ATOM 0 HD2 HIS A 20 105.657 9.426 8.253 1.00 0.00 H new ATOM 0 HE1 HIS A 20 108.693 12.379 7.780 1.00 0.00 H new ATOM 0 HE2 HIS A 20 108.163 9.930 8.322 1.00 0.00 H new ATOM 310 N ALA A 21 101.353 9.584 6.032 1.00 0.00 N ATOM 311 CA ALA A 21 99.876 9.636 5.842 1.00 0.00 C ATOM 312 C ALA A 21 99.364 8.250 5.448 1.00 0.00 C ATOM 313 O ALA A 21 100.016 7.515 4.734 1.00 0.00 O ATOM 314 CB ALA A 21 99.539 10.637 4.735 1.00 0.00 C ATOM 0 H ALA A 21 101.818 8.784 5.603 1.00 0.00 H new ATOM 0 HA ALA A 21 99.401 9.949 6.772 1.00 0.00 H new ATOM 0 HB1 ALA A 21 98.459 10.675 4.596 1.00 0.00 H new ATOM 0 HB2 ALA A 21 99.904 11.625 5.015 1.00 0.00 H new ATOM 0 HB3 ALA A 21 100.014 10.325 3.805 1.00 0.00 H new ATOM 320 N VAL A 22 98.198 7.885 5.909 1.00 0.00 N ATOM 321 CA VAL A 22 97.644 6.547 5.563 1.00 0.00 C ATOM 322 C VAL A 22 96.504 6.714 4.556 1.00 0.00 C ATOM 323 O VAL A 22 96.167 5.800 3.829 1.00 0.00 O ATOM 324 CB VAL A 22 97.113 5.872 6.829 1.00 0.00 C ATOM 325 CG1 VAL A 22 97.081 4.356 6.625 1.00 0.00 C ATOM 326 CG2 VAL A 22 98.032 6.206 8.006 1.00 0.00 C ATOM 0 H VAL A 22 97.606 8.457 6.511 1.00 0.00 H new ATOM 0 HA VAL A 22 98.428 5.930 5.125 1.00 0.00 H new ATOM 0 HB VAL A 22 96.106 6.232 7.037 1.00 0.00 H new ATOM 0 HG11 VAL A 22 96.703 3.875 7.527 1.00 0.00 H new ATOM 0 HG12 VAL A 22 96.429 4.116 5.785 1.00 0.00 H new ATOM 0 HG13 VAL A 22 98.088 3.996 6.417 1.00 0.00 H new ATOM 0 HG21 VAL A 22 97.655 5.726 8.909 1.00 0.00 H new ATOM 0 HG22 VAL A 22 99.039 5.845 7.796 1.00 0.00 H new ATOM 0 HG23 VAL A 22 98.058 7.286 8.153 1.00 0.00 H new ATOM 336 N PHE A 23 95.908 7.873 4.508 1.00 0.00 N ATOM 337 CA PHE A 23 94.791 8.097 3.547 1.00 0.00 C ATOM 338 C PHE A 23 95.141 9.263 2.619 1.00 0.00 C ATOM 339 O PHE A 23 95.189 9.116 1.414 1.00 0.00 O ATOM 340 CB PHE A 23 93.511 8.427 4.318 1.00 0.00 C ATOM 341 CG PHE A 23 93.232 7.336 5.324 1.00 0.00 C ATOM 342 CD1 PHE A 23 93.760 7.424 6.617 1.00 0.00 C ATOM 343 CD2 PHE A 23 92.445 6.235 4.962 1.00 0.00 C ATOM 344 CE1 PHE A 23 93.501 6.412 7.550 1.00 0.00 C ATOM 345 CE2 PHE A 23 92.186 5.223 5.894 1.00 0.00 C ATOM 346 CZ PHE A 23 92.714 5.312 7.188 1.00 0.00 C ATOM 0 H PHE A 23 96.146 8.675 5.092 1.00 0.00 H new ATOM 0 HA PHE A 23 94.636 7.195 2.955 1.00 0.00 H new ATOM 0 HB2 PHE A 23 93.617 9.386 4.826 1.00 0.00 H new ATOM 0 HB3 PHE A 23 92.673 8.523 3.628 1.00 0.00 H new ATOM 0 HD1 PHE A 23 94.367 8.272 6.896 1.00 0.00 H new ATOM 0 HD2 PHE A 23 92.038 6.167 3.964 1.00 0.00 H new ATOM 0 HE1 PHE A 23 93.908 6.480 8.548 1.00 0.00 H new ATOM 0 HE2 PHE A 23 91.579 4.374 5.615 1.00 0.00 H new ATOM 0 HZ PHE A 23 92.514 4.532 7.907 1.00 0.00 H new ATOM 356 N SER A 24 95.385 10.421 3.170 1.00 0.00 N ATOM 357 CA SER A 24 95.730 11.592 2.317 1.00 0.00 C ATOM 358 C SER A 24 94.640 11.794 1.263 1.00 0.00 C ATOM 359 O SER A 24 93.616 11.140 1.283 1.00 0.00 O ATOM 360 CB SER A 24 97.069 11.341 1.624 1.00 0.00 C ATOM 361 OG SER A 24 97.681 12.587 1.316 1.00 0.00 O ATOM 0 H SER A 24 95.360 10.606 4.173 1.00 0.00 H new ATOM 0 HA SER A 24 95.804 12.485 2.938 1.00 0.00 H new ATOM 0 HB2 SER A 24 97.721 10.753 2.270 1.00 0.00 H new ATOM 0 HB3 SER A 24 96.917 10.763 0.713 1.00 0.00 H new ATOM 0 HG SER A 24 98.541 12.429 0.873 1.00 0.00 H new ATOM 367 N ASN A 25 94.850 12.694 0.342 1.00 0.00 N ATOM 368 CA ASN A 25 93.825 12.936 -0.711 1.00 0.00 C ATOM 369 C ASN A 25 94.493 12.909 -2.089 1.00 0.00 C ATOM 370 O ASN A 25 93.970 12.347 -3.030 1.00 0.00 O ATOM 371 CB ASN A 25 93.175 14.303 -0.484 1.00 0.00 C ATOM 372 CG ASN A 25 92.031 14.497 -1.481 1.00 0.00 C ATOM 373 OD1 ASN A 25 91.643 13.571 -2.165 1.00 0.00 O ATOM 374 ND2 ASN A 25 91.473 15.671 -1.594 1.00 0.00 N ATOM 0 H ASN A 25 95.688 13.272 0.274 1.00 0.00 H new ATOM 0 HA ASN A 25 93.062 12.159 -0.663 1.00 0.00 H new ATOM 0 HB2 ASN A 25 92.798 14.373 0.536 1.00 0.00 H new ATOM 0 HB3 ASN A 25 93.915 15.094 -0.605 1.00 0.00 H new ATOM 0 HD21 ASN A 25 90.711 15.812 -2.257 1.00 0.00 H new ATOM 0 HD22 ASN A 25 91.799 16.448 -1.019 1.00 0.00 H new ATOM 381 N ARG A 26 95.644 13.512 -2.214 1.00 0.00 N ATOM 382 CA ARG A 26 96.343 13.520 -3.530 1.00 0.00 C ATOM 383 C ARG A 26 96.636 12.081 -3.962 1.00 0.00 C ATOM 384 O ARG A 26 96.853 11.209 -3.144 1.00 0.00 O ATOM 385 CB ARG A 26 97.659 14.292 -3.402 1.00 0.00 C ATOM 386 CG ARG A 26 97.368 15.729 -2.964 1.00 0.00 C ATOM 387 CD ARG A 26 98.618 16.332 -2.318 1.00 0.00 C ATOM 388 NE ARG A 26 98.861 17.692 -2.878 1.00 0.00 N ATOM 389 CZ ARG A 26 98.156 18.706 -2.459 1.00 0.00 C ATOM 390 NH1 ARG A 26 97.904 18.843 -1.186 1.00 0.00 N ATOM 391 NH2 ARG A 26 97.703 19.584 -3.312 1.00 0.00 N ATOM 0 H ARG A 26 96.130 13.999 -1.461 1.00 0.00 H new ATOM 0 HA ARG A 26 95.709 14.000 -4.275 1.00 0.00 H new ATOM 0 HB2 ARG A 26 98.310 13.804 -2.676 1.00 0.00 H new ATOM 0 HB3 ARG A 26 98.187 14.291 -4.355 1.00 0.00 H new ATOM 0 HG2 ARG A 26 97.066 16.328 -3.823 1.00 0.00 H new ATOM 0 HG3 ARG A 26 96.538 15.744 -2.257 1.00 0.00 H new ATOM 0 HD2 ARG A 26 98.490 16.390 -1.237 1.00 0.00 H new ATOM 0 HD3 ARG A 26 99.481 15.692 -2.503 1.00 0.00 H new ATOM 0 HE ARG A 26 99.579 17.830 -3.589 1.00 0.00 H new ATOM 0 HH11 ARG A 26 98.258 18.157 -0.519 1.00 0.00 H new ATOM 0 HH12 ARG A 26 97.353 19.636 -0.858 1.00 0.00 H new ATOM 0 HH21 ARG A 26 97.900 19.477 -4.307 1.00 0.00 H new ATOM 0 HH22 ARG A 26 97.152 20.377 -2.984 1.00 0.00 H new ATOM 405 N THR A 27 96.641 11.825 -5.243 1.00 0.00 N ATOM 406 CA THR A 27 96.919 10.442 -5.726 1.00 0.00 C ATOM 407 C THR A 27 98.430 10.198 -5.737 1.00 0.00 C ATOM 408 O THR A 27 99.207 11.080 -6.043 1.00 0.00 O ATOM 409 CB THR A 27 96.360 10.276 -7.142 1.00 0.00 C ATOM 410 OG1 THR A 27 96.863 11.313 -7.972 1.00 0.00 O ATOM 411 CG2 THR A 27 94.832 10.349 -7.099 1.00 0.00 C ATOM 0 H THR A 27 96.465 12.513 -5.975 1.00 0.00 H new ATOM 0 HA THR A 27 96.443 9.721 -5.062 1.00 0.00 H new ATOM 0 HB THR A 27 96.665 9.310 -7.544 1.00 0.00 H new ATOM 0 HG1 THR A 27 96.152 11.628 -8.569 1.00 0.00 H new ATOM 0 HG21 THR A 27 94.434 10.231 -8.107 1.00 0.00 H new ATOM 0 HG22 THR A 27 94.448 9.553 -6.461 1.00 0.00 H new ATOM 0 HG23 THR A 27 94.525 11.315 -6.698 1.00 0.00 H new ATOM 419 N LEU A 28 98.852 9.009 -5.400 1.00 0.00 N ATOM 420 CA LEU A 28 100.313 8.711 -5.385 1.00 0.00 C ATOM 421 C LEU A 28 100.590 7.441 -6.196 1.00 0.00 C ATOM 422 O LEU A 28 99.753 6.568 -6.309 1.00 0.00 O ATOM 423 CB LEU A 28 100.768 8.495 -3.938 1.00 0.00 C ATOM 424 CG LEU A 28 101.593 9.697 -3.472 1.00 0.00 C ATOM 425 CD1 LEU A 28 100.688 10.685 -2.735 1.00 0.00 C ATOM 426 CD2 LEU A 28 102.696 9.218 -2.524 1.00 0.00 C ATOM 0 H LEU A 28 98.248 8.231 -5.134 1.00 0.00 H new ATOM 0 HA LEU A 28 100.858 9.547 -5.824 1.00 0.00 H new ATOM 0 HB2 LEU A 28 99.902 8.363 -3.290 1.00 0.00 H new ATOM 0 HB3 LEU A 28 101.362 7.584 -3.865 1.00 0.00 H new ATOM 0 HG LEU A 28 102.039 10.188 -4.337 1.00 0.00 H new ATOM 0 HD11 LEU A 28 101.277 11.540 -2.404 1.00 0.00 H new ATOM 0 HD12 LEU A 28 99.899 11.025 -3.405 1.00 0.00 H new ATOM 0 HD13 LEU A 28 100.242 10.194 -1.870 1.00 0.00 H new ATOM 0 HD21 LEU A 28 103.285 10.072 -2.190 1.00 0.00 H new ATOM 0 HD22 LEU A 28 102.246 8.728 -1.660 1.00 0.00 H new ATOM 0 HD23 LEU A 28 103.343 8.512 -3.045 1.00 0.00 H new ATOM 438 N ALA A 29 101.764 7.330 -6.759 1.00 0.00 N ATOM 439 CA ALA A 29 102.102 6.114 -7.558 1.00 0.00 C ATOM 440 C ALA A 29 103.401 5.499 -7.026 1.00 0.00 C ATOM 441 O ALA A 29 103.794 4.415 -7.415 1.00 0.00 O ATOM 442 CB ALA A 29 102.286 6.502 -9.026 1.00 0.00 C ATOM 0 H ALA A 29 102.505 8.029 -6.700 1.00 0.00 H new ATOM 0 HA ALA A 29 101.294 5.388 -7.473 1.00 0.00 H new ATOM 0 HB1 ALA A 29 102.533 5.614 -9.609 1.00 0.00 H new ATOM 0 HB2 ALA A 29 101.363 6.940 -9.405 1.00 0.00 H new ATOM 0 HB3 ALA A 29 103.094 7.228 -9.112 1.00 0.00 H new ATOM 448 N CYS A 30 104.067 6.182 -6.133 1.00 0.00 N ATOM 449 CA CYS A 30 105.332 5.646 -5.559 1.00 0.00 C ATOM 450 C CYS A 30 105.095 5.338 -4.080 1.00 0.00 C ATOM 451 O CYS A 30 104.871 6.230 -3.285 1.00 0.00 O ATOM 452 CB CYS A 30 106.439 6.700 -5.699 1.00 0.00 C ATOM 453 SG CYS A 30 107.842 6.272 -4.634 1.00 0.00 S ATOM 0 H CYS A 30 103.785 7.095 -5.775 1.00 0.00 H new ATOM 0 HA CYS A 30 105.636 4.741 -6.084 1.00 0.00 H new ATOM 0 HB2 CYS A 30 106.765 6.761 -6.737 1.00 0.00 H new ATOM 0 HB3 CYS A 30 106.053 7.683 -5.428 1.00 0.00 H new ATOM 0 HG CYS A 30 108.445 7.359 -4.253 1.00 0.00 H new ATOM 459 N PHE A 31 105.127 4.090 -3.695 1.00 0.00 N ATOM 460 CA PHE A 31 104.884 3.769 -2.261 1.00 0.00 C ATOM 461 C PHE A 31 106.067 2.991 -1.676 1.00 0.00 C ATOM 462 O PHE A 31 106.615 2.101 -2.300 1.00 0.00 O ATOM 463 CB PHE A 31 103.621 2.914 -2.128 1.00 0.00 C ATOM 464 CG PHE A 31 102.502 3.477 -2.972 1.00 0.00 C ATOM 465 CD1 PHE A 31 102.599 3.468 -4.369 1.00 0.00 C ATOM 466 CD2 PHE A 31 101.353 3.989 -2.356 1.00 0.00 C ATOM 467 CE1 PHE A 31 101.550 3.974 -5.147 1.00 0.00 C ATOM 468 CE2 PHE A 31 100.304 4.489 -3.132 1.00 0.00 C ATOM 469 CZ PHE A 31 100.402 4.484 -4.529 1.00 0.00 C ATOM 0 H PHE A 31 105.308 3.290 -4.302 1.00 0.00 H new ATOM 0 HA PHE A 31 104.762 4.706 -1.717 1.00 0.00 H new ATOM 0 HB2 PHE A 31 103.835 1.890 -2.435 1.00 0.00 H new ATOM 0 HB3 PHE A 31 103.311 2.875 -1.084 1.00 0.00 H new ATOM 0 HD1 PHE A 31 103.483 3.071 -4.846 1.00 0.00 H new ATOM 0 HD2 PHE A 31 101.278 3.997 -1.279 1.00 0.00 H new ATOM 0 HE1 PHE A 31 101.627 3.971 -6.224 1.00 0.00 H new ATOM 0 HE2 PHE A 31 99.418 4.879 -2.654 1.00 0.00 H new ATOM 0 HZ PHE A 31 99.593 4.873 -5.129 1.00 0.00 H new ATOM 479 N ALA A 32 106.439 3.304 -0.463 1.00 0.00 N ATOM 480 CA ALA A 32 107.554 2.569 0.196 1.00 0.00 C ATOM 481 C ALA A 32 106.948 1.658 1.259 1.00 0.00 C ATOM 482 O ALA A 32 106.253 2.107 2.150 1.00 0.00 O ATOM 483 CB ALA A 32 108.518 3.555 0.860 1.00 0.00 C ATOM 0 H ALA A 32 106.015 4.041 0.101 1.00 0.00 H new ATOM 0 HA ALA A 32 108.108 1.989 -0.542 1.00 0.00 H new ATOM 0 HB1 ALA A 32 109.329 3.005 1.338 1.00 0.00 H new ATOM 0 HB2 ALA A 32 108.930 4.225 0.105 1.00 0.00 H new ATOM 0 HB3 ALA A 32 107.983 4.138 1.610 1.00 0.00 H new ATOM 489 N ILE A 33 107.180 0.382 1.170 1.00 0.00 N ATOM 490 CA ILE A 33 106.588 -0.540 2.173 1.00 0.00 C ATOM 491 C ILE A 33 107.635 -0.937 3.212 1.00 0.00 C ATOM 492 O ILE A 33 108.787 -1.160 2.900 1.00 0.00 O ATOM 493 CB ILE A 33 106.071 -1.795 1.466 1.00 0.00 C ATOM 494 CG1 ILE A 33 105.085 -1.382 0.369 1.00 0.00 C ATOM 495 CG2 ILE A 33 105.364 -2.699 2.478 1.00 0.00 C ATOM 496 CD1 ILE A 33 104.317 -2.611 -0.126 1.00 0.00 C ATOM 0 H ILE A 33 107.751 -0.061 0.450 1.00 0.00 H new ATOM 0 HA ILE A 33 105.765 -0.033 2.677 1.00 0.00 H new ATOM 0 HB ILE A 33 106.906 -2.338 1.023 1.00 0.00 H new ATOM 0 HG12 ILE A 33 104.389 -0.637 0.754 1.00 0.00 H new ATOM 0 HG13 ILE A 33 105.621 -0.919 -0.459 1.00 0.00 H new ATOM 0 HG21 ILE A 33 104.996 -3.592 1.973 1.00 0.00 H new ATOM 0 HG22 ILE A 33 106.066 -2.987 3.261 1.00 0.00 H new ATOM 0 HG23 ILE A 33 104.526 -2.162 2.922 1.00 0.00 H new ATOM 0 HD11 ILE A 33 103.617 -2.313 -0.906 1.00 0.00 H new ATOM 0 HD12 ILE A 33 105.019 -3.341 -0.529 1.00 0.00 H new ATOM 0 HD13 ILE A 33 103.768 -3.055 0.704 1.00 0.00 H new ATOM 508 N TYR A 34 107.229 -1.050 4.444 1.00 0.00 N ATOM 509 CA TYR A 34 108.175 -1.464 5.515 1.00 0.00 C ATOM 510 C TYR A 34 107.585 -2.694 6.187 1.00 0.00 C ATOM 511 O TYR A 34 106.751 -2.594 7.064 1.00 0.00 O ATOM 512 CB TYR A 34 108.335 -0.350 6.550 1.00 0.00 C ATOM 513 CG TYR A 34 109.071 -0.892 7.752 1.00 0.00 C ATOM 514 CD1 TYR A 34 110.102 -1.822 7.578 1.00 0.00 C ATOM 515 CD2 TYR A 34 108.725 -0.468 9.041 1.00 0.00 C ATOM 516 CE1 TYR A 34 110.785 -2.327 8.685 1.00 0.00 C ATOM 517 CE2 TYR A 34 109.409 -0.975 10.151 1.00 0.00 C ATOM 518 CZ TYR A 34 110.440 -1.904 9.974 1.00 0.00 C ATOM 519 OH TYR A 34 111.116 -2.405 11.068 1.00 0.00 O ATOM 0 H TYR A 34 106.275 -0.872 4.757 1.00 0.00 H new ATOM 0 HA TYR A 34 109.156 -1.675 5.089 1.00 0.00 H new ATOM 0 HB2 TYR A 34 108.884 0.487 6.119 1.00 0.00 H new ATOM 0 HB3 TYR A 34 107.358 0.030 6.848 1.00 0.00 H new ATOM 0 HD1 TYR A 34 110.370 -2.150 6.584 1.00 0.00 H new ATOM 0 HD2 TYR A 34 107.930 0.250 9.178 1.00 0.00 H new ATOM 0 HE1 TYR A 34 111.580 -3.045 8.547 1.00 0.00 H new ATOM 0 HE2 TYR A 34 109.141 -0.649 11.145 1.00 0.00 H new ATOM 0 HH TYR A 34 111.133 -3.384 11.022 1.00 0.00 H new ATOM 529 N THR A 35 107.982 -3.855 5.764 1.00 0.00 N ATOM 530 CA THR A 35 107.407 -5.083 6.363 1.00 0.00 C ATOM 531 C THR A 35 108.520 -6.040 6.765 1.00 0.00 C ATOM 532 O THR A 35 109.637 -5.947 6.296 1.00 0.00 O ATOM 533 CB THR A 35 106.513 -5.766 5.331 1.00 0.00 C ATOM 534 OG1 THR A 35 107.323 -6.328 4.308 1.00 0.00 O ATOM 535 CG2 THR A 35 105.565 -4.747 4.714 1.00 0.00 C ATOM 0 H THR A 35 108.677 -4.007 5.033 1.00 0.00 H new ATOM 0 HA THR A 35 106.829 -4.815 7.247 1.00 0.00 H new ATOM 0 HB THR A 35 105.934 -6.550 5.819 1.00 0.00 H new ATOM 0 HG1 THR A 35 106.779 -6.480 3.507 1.00 0.00 H new ATOM 0 HG21 THR A 35 104.930 -5.240 3.978 1.00 0.00 H new ATOM 0 HG22 THR A 35 104.943 -4.309 5.495 1.00 0.00 H new ATOM 0 HG23 THR A 35 106.142 -3.962 4.226 1.00 0.00 H new ATOM 543 N THR A 36 108.215 -6.975 7.614 1.00 0.00 N ATOM 544 CA THR A 36 109.246 -7.955 8.027 1.00 0.00 C ATOM 545 C THR A 36 109.726 -8.687 6.768 1.00 0.00 C ATOM 546 O THR A 36 109.065 -8.670 5.748 1.00 0.00 O ATOM 547 CB THR A 36 108.634 -8.933 9.035 1.00 0.00 C ATOM 548 OG1 THR A 36 107.756 -9.822 8.359 1.00 0.00 O ATOM 549 CG2 THR A 36 107.853 -8.145 10.100 1.00 0.00 C ATOM 0 H THR A 36 107.296 -7.102 8.039 1.00 0.00 H new ATOM 0 HA THR A 36 110.093 -7.463 8.505 1.00 0.00 H new ATOM 0 HB THR A 36 109.427 -9.506 9.516 1.00 0.00 H new ATOM 0 HG1 THR A 36 107.366 -10.449 9.003 1.00 0.00 H new ATOM 0 HG21 THR A 36 107.416 -8.839 10.819 1.00 0.00 H new ATOM 0 HG22 THR A 36 108.529 -7.464 10.617 1.00 0.00 H new ATOM 0 HG23 THR A 36 107.059 -7.573 9.620 1.00 0.00 H new ATOM 557 N LYS A 37 110.871 -9.303 6.812 1.00 0.00 N ATOM 558 CA LYS A 37 111.389 -10.002 5.603 1.00 0.00 C ATOM 559 C LYS A 37 110.294 -10.870 4.962 1.00 0.00 C ATOM 560 O LYS A 37 109.865 -10.622 3.852 1.00 0.00 O ATOM 561 CB LYS A 37 112.577 -10.886 5.998 1.00 0.00 C ATOM 562 CG LYS A 37 112.319 -11.546 7.357 1.00 0.00 C ATOM 563 CD LYS A 37 113.490 -11.254 8.298 1.00 0.00 C ATOM 564 CE LYS A 37 112.990 -11.222 9.744 1.00 0.00 C ATOM 565 NZ LYS A 37 113.127 -12.577 10.347 1.00 0.00 N ATOM 0 H LYS A 37 111.473 -9.354 7.634 1.00 0.00 H new ATOM 0 HA LYS A 37 111.706 -9.254 4.877 1.00 0.00 H new ATOM 0 HB2 LYS A 37 112.738 -11.651 5.239 1.00 0.00 H new ATOM 0 HB3 LYS A 37 113.486 -10.286 6.044 1.00 0.00 H new ATOM 0 HG2 LYS A 37 111.391 -11.168 7.786 1.00 0.00 H new ATOM 0 HG3 LYS A 37 112.198 -12.622 7.233 1.00 0.00 H new ATOM 0 HD2 LYS A 37 114.260 -12.018 8.185 1.00 0.00 H new ATOM 0 HD3 LYS A 37 113.948 -10.299 8.040 1.00 0.00 H new ATOM 0 HE2 LYS A 37 113.562 -10.496 10.322 1.00 0.00 H new ATOM 0 HE3 LYS A 37 111.948 -10.903 9.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 112.787 -12.556 11.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 112.563 -13.259 9.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 114.127 -12.864 10.332 1.00 0.00 H new ATOM 579 N GLU A 38 109.855 -11.892 5.643 1.00 0.00 N ATOM 580 CA GLU A 38 108.809 -12.791 5.073 1.00 0.00 C ATOM 581 C GLU A 38 107.697 -11.974 4.406 1.00 0.00 C ATOM 582 O GLU A 38 107.059 -12.427 3.476 1.00 0.00 O ATOM 583 CB GLU A 38 108.208 -13.640 6.195 1.00 0.00 C ATOM 584 CG GLU A 38 108.893 -15.007 6.224 1.00 0.00 C ATOM 585 CD GLU A 38 109.015 -15.487 7.672 1.00 0.00 C ATOM 586 OE1 GLU A 38 108.865 -14.665 8.561 1.00 0.00 O ATOM 587 OE2 GLU A 38 109.255 -16.667 7.866 1.00 0.00 O ATOM 0 H GLU A 38 110.178 -12.146 6.577 1.00 0.00 H new ATOM 0 HA GLU A 38 109.270 -13.432 4.322 1.00 0.00 H new ATOM 0 HB2 GLU A 38 108.335 -13.137 7.154 1.00 0.00 H new ATOM 0 HB3 GLU A 38 107.136 -13.762 6.039 1.00 0.00 H new ATOM 0 HG2 GLU A 38 108.319 -15.726 5.639 1.00 0.00 H new ATOM 0 HG3 GLU A 38 109.881 -14.940 5.767 1.00 0.00 H new ATOM 594 N LYS A 39 107.449 -10.786 4.877 1.00 0.00 N ATOM 595 CA LYS A 39 106.368 -9.956 4.277 1.00 0.00 C ATOM 596 C LYS A 39 106.774 -9.480 2.878 1.00 0.00 C ATOM 597 O LYS A 39 106.129 -9.793 1.899 1.00 0.00 O ATOM 598 CB LYS A 39 106.122 -8.747 5.176 1.00 0.00 C ATOM 599 CG LYS A 39 105.796 -9.217 6.594 1.00 0.00 C ATOM 600 CD LYS A 39 104.307 -9.016 6.867 1.00 0.00 C ATOM 601 CE LYS A 39 103.494 -9.982 6.005 1.00 0.00 C ATOM 602 NZ LYS A 39 104.023 -11.367 6.169 1.00 0.00 N ATOM 0 H LYS A 39 107.949 -10.352 5.653 1.00 0.00 H new ATOM 0 HA LYS A 39 105.460 -10.553 4.191 1.00 0.00 H new ATOM 0 HB2 LYS A 39 107.003 -8.106 5.189 1.00 0.00 H new ATOM 0 HB3 LYS A 39 105.299 -8.150 4.782 1.00 0.00 H new ATOM 0 HG2 LYS A 39 106.059 -10.268 6.710 1.00 0.00 H new ATOM 0 HG3 LYS A 39 106.388 -8.659 7.319 1.00 0.00 H new ATOM 0 HD2 LYS A 39 104.094 -9.187 7.922 1.00 0.00 H new ATOM 0 HD3 LYS A 39 104.022 -7.987 6.646 1.00 0.00 H new ATOM 0 HE2 LYS A 39 102.444 -9.947 6.294 1.00 0.00 H new ATOM 0 HE3 LYS A 39 103.547 -9.683 4.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 103.258 -12.052 6.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 104.787 -11.530 5.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 104.394 -11.485 7.134 1.00 0.00 H new ATOM 616 N ALA A 40 107.827 -8.714 2.775 1.00 0.00 N ATOM 617 CA ALA A 40 108.255 -8.215 1.433 1.00 0.00 C ATOM 618 C ALA A 40 108.410 -9.387 0.462 1.00 0.00 C ATOM 619 O ALA A 40 108.309 -9.225 -0.738 1.00 0.00 O ATOM 620 CB ALA A 40 109.599 -7.495 1.553 1.00 0.00 C ATOM 0 H ALA A 40 108.408 -8.413 3.557 1.00 0.00 H new ATOM 0 HA ALA A 40 107.497 -7.527 1.059 1.00 0.00 H new ATOM 0 HB1 ALA A 40 109.907 -7.133 0.572 1.00 0.00 H new ATOM 0 HB2 ALA A 40 109.500 -6.652 2.236 1.00 0.00 H new ATOM 0 HB3 ALA A 40 110.349 -8.187 1.936 1.00 0.00 H new ATOM 626 N ALA A 41 108.672 -10.561 0.964 1.00 0.00 N ATOM 627 CA ALA A 41 108.852 -11.732 0.059 1.00 0.00 C ATOM 628 C ALA A 41 107.583 -11.957 -0.768 1.00 0.00 C ATOM 629 O ALA A 41 107.643 -12.299 -1.932 1.00 0.00 O ATOM 630 CB ALA A 41 109.143 -12.981 0.895 1.00 0.00 C ATOM 0 H ALA A 41 108.769 -10.761 1.959 1.00 0.00 H new ATOM 0 HA ALA A 41 109.686 -11.537 -0.615 1.00 0.00 H new ATOM 0 HB1 ALA A 41 109.275 -13.838 0.235 1.00 0.00 H new ATOM 0 HB2 ALA A 41 110.053 -12.827 1.475 1.00 0.00 H new ATOM 0 HB3 ALA A 41 108.309 -13.169 1.571 1.00 0.00 H new ATOM 636 N LEU A 42 106.438 -11.778 -0.175 1.00 0.00 N ATOM 637 CA LEU A 42 105.166 -11.994 -0.923 1.00 0.00 C ATOM 638 C LEU A 42 104.720 -10.693 -1.596 1.00 0.00 C ATOM 639 O LEU A 42 104.238 -10.696 -2.710 1.00 0.00 O ATOM 640 CB LEU A 42 104.080 -12.458 0.049 1.00 0.00 C ATOM 641 CG LEU A 42 104.411 -13.866 0.547 1.00 0.00 C ATOM 642 CD1 LEU A 42 104.415 -13.879 2.076 1.00 0.00 C ATOM 643 CD2 LEU A 42 103.357 -14.847 0.032 1.00 0.00 C ATOM 0 H LEU A 42 106.326 -11.491 0.797 1.00 0.00 H new ATOM 0 HA LEU A 42 105.329 -12.753 -1.689 1.00 0.00 H new ATOM 0 HB2 LEU A 42 104.012 -11.769 0.891 1.00 0.00 H new ATOM 0 HB3 LEU A 42 103.108 -12.454 -0.445 1.00 0.00 H new ATOM 0 HG LEU A 42 105.394 -14.160 0.179 1.00 0.00 H new ATOM 0 HD11 LEU A 42 104.651 -14.882 2.431 1.00 0.00 H new ATOM 0 HD12 LEU A 42 105.165 -13.178 2.444 1.00 0.00 H new ATOM 0 HD13 LEU A 42 103.432 -13.585 2.445 1.00 0.00 H new ATOM 0 HD21 LEU A 42 103.591 -15.851 0.386 1.00 0.00 H new ATOM 0 HD22 LEU A 42 102.375 -14.552 0.401 1.00 0.00 H new ATOM 0 HD23 LEU A 42 103.353 -14.838 -1.058 1.00 0.00 H new ATOM 655 N LEU A 43 104.869 -9.581 -0.929 1.00 0.00 N ATOM 656 CA LEU A 43 104.445 -8.286 -1.537 1.00 0.00 C ATOM 657 C LEU A 43 105.303 -7.983 -2.758 1.00 0.00 C ATOM 658 O LEU A 43 104.918 -7.232 -3.629 1.00 0.00 O ATOM 659 CB LEU A 43 104.613 -7.167 -0.514 1.00 0.00 C ATOM 660 CG LEU A 43 103.851 -7.527 0.758 1.00 0.00 C ATOM 661 CD1 LEU A 43 103.752 -6.290 1.647 1.00 0.00 C ATOM 662 CD2 LEU A 43 102.446 -8.018 0.389 1.00 0.00 C ATOM 0 H LEU A 43 105.265 -9.512 0.008 1.00 0.00 H new ATOM 0 HA LEU A 43 103.400 -8.357 -1.838 1.00 0.00 H new ATOM 0 HB2 LEU A 43 105.669 -7.020 -0.289 1.00 0.00 H new ATOM 0 HB3 LEU A 43 104.240 -6.227 -0.921 1.00 0.00 H new ATOM 0 HG LEU A 43 104.376 -8.318 1.294 1.00 0.00 H new ATOM 0 HD11 LEU A 43 103.209 -6.539 2.558 1.00 0.00 H new ATOM 0 HD12 LEU A 43 104.754 -5.946 1.905 1.00 0.00 H new ATOM 0 HD13 LEU A 43 103.223 -5.500 1.114 1.00 0.00 H new ATOM 0 HD21 LEU A 43 101.900 -8.276 1.297 1.00 0.00 H new ATOM 0 HD22 LEU A 43 101.913 -7.230 -0.143 1.00 0.00 H new ATOM 0 HD23 LEU A 43 102.524 -8.898 -0.249 1.00 0.00 H new ATOM 674 N TYR A 44 106.457 -8.568 -2.833 1.00 0.00 N ATOM 675 CA TYR A 44 107.332 -8.322 -4.004 1.00 0.00 C ATOM 676 C TYR A 44 106.850 -9.203 -5.157 1.00 0.00 C ATOM 677 O TYR A 44 106.602 -8.739 -6.249 1.00 0.00 O ATOM 678 CB TYR A 44 108.777 -8.674 -3.636 1.00 0.00 C ATOM 679 CG TYR A 44 109.737 -8.073 -4.640 1.00 0.00 C ATOM 680 CD1 TYR A 44 109.262 -7.508 -5.830 1.00 0.00 C ATOM 681 CD2 TYR A 44 111.111 -8.098 -4.384 1.00 0.00 C ATOM 682 CE1 TYR A 44 110.156 -6.972 -6.758 1.00 0.00 C ATOM 683 CE2 TYR A 44 112.004 -7.559 -5.315 1.00 0.00 C ATOM 684 CZ TYR A 44 111.528 -6.996 -6.504 1.00 0.00 C ATOM 685 OH TYR A 44 112.411 -6.467 -7.421 1.00 0.00 O ATOM 0 H TYR A 44 106.834 -9.207 -2.133 1.00 0.00 H new ATOM 0 HA TYR A 44 107.291 -7.274 -4.302 1.00 0.00 H new ATOM 0 HB2 TYR A 44 109.006 -8.303 -2.637 1.00 0.00 H new ATOM 0 HB3 TYR A 44 108.899 -9.757 -3.609 1.00 0.00 H new ATOM 0 HD1 TYR A 44 108.201 -7.487 -6.030 1.00 0.00 H new ATOM 0 HD2 TYR A 44 111.482 -8.533 -3.468 1.00 0.00 H new ATOM 0 HE1 TYR A 44 109.785 -6.538 -7.675 1.00 0.00 H new ATOM 0 HE2 TYR A 44 113.065 -7.577 -5.116 1.00 0.00 H new ATOM 0 HH TYR A 44 112.354 -5.489 -7.403 1.00 0.00 H new ATOM 695 N LYS A 45 106.698 -10.475 -4.915 1.00 0.00 N ATOM 696 CA LYS A 45 106.222 -11.385 -5.991 1.00 0.00 C ATOM 697 C LYS A 45 104.785 -11.020 -6.381 1.00 0.00 C ATOM 698 O LYS A 45 104.317 -11.375 -7.446 1.00 0.00 O ATOM 699 CB LYS A 45 106.264 -12.830 -5.491 1.00 0.00 C ATOM 700 CG LYS A 45 106.904 -13.720 -6.558 1.00 0.00 C ATOM 701 CD LYS A 45 106.060 -14.983 -6.744 1.00 0.00 C ATOM 702 CE LYS A 45 106.980 -16.181 -6.988 1.00 0.00 C ATOM 703 NZ LYS A 45 106.920 -16.570 -8.426 1.00 0.00 N ATOM 0 H LYS A 45 106.883 -10.923 -4.018 1.00 0.00 H new ATOM 0 HA LYS A 45 106.868 -11.281 -6.863 1.00 0.00 H new ATOM 0 HB2 LYS A 45 106.834 -12.889 -4.564 1.00 0.00 H new ATOM 0 HB3 LYS A 45 105.256 -13.179 -5.268 1.00 0.00 H new ATOM 0 HG2 LYS A 45 106.979 -13.178 -7.501 1.00 0.00 H new ATOM 0 HG3 LYS A 45 107.918 -13.988 -6.262 1.00 0.00 H new ATOM 0 HD2 LYS A 45 105.446 -15.156 -5.860 1.00 0.00 H new ATOM 0 HD3 LYS A 45 105.379 -14.857 -7.585 1.00 0.00 H new ATOM 0 HE2 LYS A 45 108.004 -15.929 -6.711 1.00 0.00 H new ATOM 0 HE3 LYS A 45 106.677 -17.019 -6.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 107.545 -17.384 -8.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 105.944 -16.827 -8.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 107.229 -15.771 -9.015 1.00 0.00 H new ATOM 717 N LYS A 46 104.074 -10.320 -5.535 1.00 0.00 N ATOM 718 CA LYS A 46 102.671 -9.949 -5.878 1.00 0.00 C ATOM 719 C LYS A 46 102.650 -8.599 -6.601 1.00 0.00 C ATOM 720 O LYS A 46 102.211 -8.493 -7.728 1.00 0.00 O ATOM 721 CB LYS A 46 101.842 -9.853 -4.599 1.00 0.00 C ATOM 722 CG LYS A 46 101.629 -11.251 -4.018 1.00 0.00 C ATOM 723 CD LYS A 46 100.188 -11.697 -4.275 1.00 0.00 C ATOM 724 CE LYS A 46 99.631 -12.372 -3.020 1.00 0.00 C ATOM 725 NZ LYS A 46 99.958 -13.826 -3.052 1.00 0.00 N ATOM 0 H LYS A 46 104.403 -9.991 -4.627 1.00 0.00 H new ATOM 0 HA LYS A 46 102.249 -10.712 -6.532 1.00 0.00 H new ATOM 0 HB2 LYS A 46 102.350 -9.220 -3.872 1.00 0.00 H new ATOM 0 HB3 LYS A 46 100.880 -9.386 -4.812 1.00 0.00 H new ATOM 0 HG2 LYS A 46 102.325 -11.955 -4.473 1.00 0.00 H new ATOM 0 HG3 LYS A 46 101.834 -11.247 -2.947 1.00 0.00 H new ATOM 0 HD2 LYS A 46 99.572 -10.838 -4.542 1.00 0.00 H new ATOM 0 HD3 LYS A 46 100.155 -12.388 -5.118 1.00 0.00 H new ATOM 0 HE2 LYS A 46 100.056 -11.912 -2.128 1.00 0.00 H new ATOM 0 HE3 LYS A 46 98.551 -12.232 -2.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 99.580 -14.286 -2.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 99.533 -14.259 -3.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 100.990 -13.949 -3.083 1.00 0.00 H new ATOM 739 N ILE A 47 103.113 -7.563 -5.955 1.00 0.00 N ATOM 740 CA ILE A 47 103.113 -6.217 -6.598 1.00 0.00 C ATOM 741 C ILE A 47 103.857 -6.276 -7.938 1.00 0.00 C ATOM 742 O ILE A 47 103.489 -5.618 -8.891 1.00 0.00 O ATOM 743 CB ILE A 47 103.815 -5.215 -5.682 1.00 0.00 C ATOM 744 CG1 ILE A 47 103.122 -5.196 -4.302 1.00 0.00 C ATOM 745 CG2 ILE A 47 103.784 -3.826 -6.336 1.00 0.00 C ATOM 746 CD1 ILE A 47 102.058 -4.094 -4.231 1.00 0.00 C ATOM 0 H ILE A 47 103.492 -7.591 -5.008 1.00 0.00 H new ATOM 0 HA ILE A 47 102.082 -5.906 -6.769 1.00 0.00 H new ATOM 0 HB ILE A 47 104.855 -5.508 -5.535 1.00 0.00 H new ATOM 0 HG12 ILE A 47 102.660 -6.164 -4.111 1.00 0.00 H new ATOM 0 HG13 ILE A 47 103.866 -5.038 -3.521 1.00 0.00 H new ATOM 0 HG21 ILE A 47 104.284 -3.107 -5.687 1.00 0.00 H new ATOM 0 HG22 ILE A 47 104.297 -3.865 -7.297 1.00 0.00 H new ATOM 0 HG23 ILE A 47 102.749 -3.519 -6.489 1.00 0.00 H new ATOM 0 HD11 ILE A 47 101.587 -4.105 -3.248 1.00 0.00 H new ATOM 0 HD12 ILE A 47 102.527 -3.124 -4.398 1.00 0.00 H new ATOM 0 HD13 ILE A 47 101.302 -4.268 -4.997 1.00 0.00 H new ATOM 758 N MET A 48 104.909 -7.049 -8.013 1.00 0.00 N ATOM 759 CA MET A 48 105.690 -7.146 -9.284 1.00 0.00 C ATOM 760 C MET A 48 104.738 -7.189 -10.483 1.00 0.00 C ATOM 761 O MET A 48 105.051 -6.700 -11.551 1.00 0.00 O ATOM 762 CB MET A 48 106.538 -8.428 -9.275 1.00 0.00 C ATOM 763 CG MET A 48 107.899 -8.169 -8.618 1.00 0.00 C ATOM 764 SD MET A 48 108.530 -9.720 -7.912 1.00 0.00 S ATOM 765 CE MET A 48 110.303 -9.379 -8.079 1.00 0.00 C ATOM 0 H MET A 48 105.263 -7.620 -7.246 1.00 0.00 H new ATOM 0 HA MET A 48 106.338 -6.273 -9.364 1.00 0.00 H new ATOM 0 HB2 MET A 48 106.011 -9.215 -8.735 1.00 0.00 H new ATOM 0 HB3 MET A 48 106.682 -8.783 -10.296 1.00 0.00 H new ATOM 0 HG2 MET A 48 108.602 -7.778 -9.353 1.00 0.00 H new ATOM 0 HG3 MET A 48 107.801 -7.414 -7.838 1.00 0.00 H new ATOM 0 HE1 MET A 48 110.777 -10.185 -8.639 1.00 0.00 H new ATOM 0 HE2 MET A 48 110.444 -8.437 -8.609 1.00 0.00 H new ATOM 0 HE3 MET A 48 110.755 -9.309 -7.090 1.00 0.00 H new ATOM 775 N GLU A 49 103.583 -7.776 -10.325 1.00 0.00 N ATOM 776 CA GLU A 49 102.630 -7.853 -11.469 1.00 0.00 C ATOM 777 C GLU A 49 101.261 -7.307 -11.053 1.00 0.00 C ATOM 778 O GLU A 49 100.351 -7.221 -11.855 1.00 0.00 O ATOM 779 CB GLU A 49 102.483 -9.311 -11.909 1.00 0.00 C ATOM 780 CG GLU A 49 102.425 -9.382 -13.435 1.00 0.00 C ATOM 781 CD GLU A 49 103.607 -10.201 -13.954 1.00 0.00 C ATOM 782 OE1 GLU A 49 104.647 -10.175 -13.317 1.00 0.00 O ATOM 783 OE2 GLU A 49 103.453 -10.843 -14.981 1.00 0.00 O ATOM 0 H GLU A 49 103.259 -8.204 -9.458 1.00 0.00 H new ATOM 0 HA GLU A 49 103.015 -7.255 -12.294 1.00 0.00 H new ATOM 0 HB2 GLU A 49 103.322 -9.900 -11.539 1.00 0.00 H new ATOM 0 HB3 GLU A 49 101.578 -9.742 -11.480 1.00 0.00 H new ATOM 0 HG2 GLU A 49 101.487 -9.837 -13.753 1.00 0.00 H new ATOM 0 HG3 GLU A 49 102.452 -8.378 -13.857 1.00 0.00 H new ATOM 790 N LYS A 50 101.101 -6.935 -9.812 1.00 0.00 N ATOM 791 CA LYS A 50 99.783 -6.397 -9.367 1.00 0.00 C ATOM 792 C LYS A 50 99.698 -4.908 -9.708 1.00 0.00 C ATOM 793 O LYS A 50 98.626 -4.350 -9.831 1.00 0.00 O ATOM 794 CB LYS A 50 99.630 -6.584 -7.856 1.00 0.00 C ATOM 795 CG LYS A 50 98.227 -6.152 -7.427 1.00 0.00 C ATOM 796 CD LYS A 50 98.009 -6.505 -5.953 1.00 0.00 C ATOM 797 CE LYS A 50 98.443 -7.949 -5.702 1.00 0.00 C ATOM 798 NZ LYS A 50 97.871 -8.832 -6.757 1.00 0.00 N ATOM 0 H LYS A 50 101.821 -6.980 -9.091 1.00 0.00 H new ATOM 0 HA LYS A 50 98.985 -6.935 -9.878 1.00 0.00 H new ATOM 0 HB2 LYS A 50 99.798 -7.627 -7.589 1.00 0.00 H new ATOM 0 HB3 LYS A 50 100.380 -5.995 -7.328 1.00 0.00 H new ATOM 0 HG2 LYS A 50 98.104 -5.079 -7.576 1.00 0.00 H new ATOM 0 HG3 LYS A 50 97.478 -6.648 -8.045 1.00 0.00 H new ATOM 0 HD2 LYS A 50 98.580 -5.827 -5.318 1.00 0.00 H new ATOM 0 HD3 LYS A 50 96.959 -6.379 -5.690 1.00 0.00 H new ATOM 0 HE2 LYS A 50 99.531 -8.019 -5.705 1.00 0.00 H new ATOM 0 HE3 LYS A 50 98.106 -8.275 -4.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 97.554 -9.725 -6.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 97.062 -8.357 -7.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 98.597 -9.031 -7.474 1.00 0.00 H new ATOM 812 N TYR A 51 100.819 -4.258 -9.863 1.00 0.00 N ATOM 813 CA TYR A 51 100.799 -2.805 -10.196 1.00 0.00 C ATOM 814 C TYR A 51 101.894 -2.497 -11.221 1.00 0.00 C ATOM 815 O TYR A 51 102.213 -1.352 -11.468 1.00 0.00 O ATOM 816 CB TYR A 51 101.057 -1.984 -8.929 1.00 0.00 C ATOM 817 CG TYR A 51 99.859 -2.061 -8.012 1.00 0.00 C ATOM 818 CD1 TYR A 51 99.747 -3.109 -7.091 1.00 0.00 C ATOM 819 CD2 TYR A 51 98.859 -1.082 -8.082 1.00 0.00 C ATOM 820 CE1 TYR A 51 98.638 -3.179 -6.242 1.00 0.00 C ATOM 821 CE2 TYR A 51 97.749 -1.153 -7.235 1.00 0.00 C ATOM 822 CZ TYR A 51 97.638 -2.202 -6.314 1.00 0.00 C ATOM 823 OH TYR A 51 96.542 -2.272 -5.477 1.00 0.00 O ATOM 0 H TYR A 51 101.748 -4.670 -9.773 1.00 0.00 H new ATOM 0 HA TYR A 51 99.824 -2.547 -10.610 1.00 0.00 H new ATOM 0 HB2 TYR A 51 101.943 -2.359 -8.416 1.00 0.00 H new ATOM 0 HB3 TYR A 51 101.257 -0.946 -9.193 1.00 0.00 H new ATOM 0 HD1 TYR A 51 100.517 -3.864 -7.036 1.00 0.00 H new ATOM 0 HD2 TYR A 51 98.946 -0.272 -8.791 1.00 0.00 H new ATOM 0 HE1 TYR A 51 98.553 -3.987 -5.531 1.00 0.00 H new ATOM 0 HE2 TYR A 51 96.978 -0.399 -7.291 1.00 0.00 H new ATOM 0 HH TYR A 51 95.945 -1.516 -5.656 1.00 0.00 H new ATOM 833 N SER A 52 102.481 -3.507 -11.812 1.00 0.00 N ATOM 834 CA SER A 52 103.564 -3.252 -12.805 1.00 0.00 C ATOM 835 C SER A 52 104.502 -2.194 -12.227 1.00 0.00 C ATOM 836 O SER A 52 104.755 -1.169 -12.828 1.00 0.00 O ATOM 837 CB SER A 52 102.957 -2.743 -14.114 1.00 0.00 C ATOM 838 OG SER A 52 101.547 -2.927 -14.081 1.00 0.00 O ATOM 0 H SER A 52 102.258 -4.489 -11.651 1.00 0.00 H new ATOM 0 HA SER A 52 104.112 -4.172 -13.008 1.00 0.00 H new ATOM 0 HB2 SER A 52 103.195 -1.688 -14.252 1.00 0.00 H new ATOM 0 HB3 SER A 52 103.386 -3.280 -14.960 1.00 0.00 H new ATOM 0 HG SER A 52 101.155 -2.600 -14.918 1.00 0.00 H new ATOM 844 N VAL A 53 104.997 -2.432 -11.045 1.00 0.00 N ATOM 845 CA VAL A 53 105.896 -1.440 -10.391 1.00 0.00 C ATOM 846 C VAL A 53 107.037 -1.035 -11.317 1.00 0.00 C ATOM 847 O VAL A 53 107.724 -1.864 -11.880 1.00 0.00 O ATOM 848 CB VAL A 53 106.491 -2.050 -9.123 1.00 0.00 C ATOM 849 CG1 VAL A 53 105.416 -2.141 -8.046 1.00 0.00 C ATOM 850 CG2 VAL A 53 107.026 -3.453 -9.428 1.00 0.00 C ATOM 0 H VAL A 53 104.817 -3.275 -10.501 1.00 0.00 H new ATOM 0 HA VAL A 53 105.305 -0.556 -10.152 1.00 0.00 H new ATOM 0 HB VAL A 53 107.307 -1.419 -8.770 1.00 0.00 H new ATOM 0 HG11 VAL A 53 105.842 -2.576 -7.142 1.00 0.00 H new ATOM 0 HG12 VAL A 53 105.038 -1.143 -7.824 1.00 0.00 H new ATOM 0 HG13 VAL A 53 104.598 -2.769 -8.400 1.00 0.00 H new ATOM 0 HG21 VAL A 53 107.450 -3.886 -8.522 1.00 0.00 H new ATOM 0 HG22 VAL A 53 106.211 -4.083 -9.785 1.00 0.00 H new ATOM 0 HG23 VAL A 53 107.798 -3.389 -10.195 1.00 0.00 H new ATOM 860 N THR A 54 107.266 0.243 -11.447 1.00 0.00 N ATOM 861 CA THR A 54 108.389 0.712 -12.299 1.00 0.00 C ATOM 862 C THR A 54 109.688 0.244 -11.644 1.00 0.00 C ATOM 863 O THR A 54 110.642 -0.118 -12.301 1.00 0.00 O ATOM 864 CB THR A 54 108.363 2.240 -12.375 1.00 0.00 C ATOM 865 OG1 THR A 54 107.243 2.653 -13.143 1.00 0.00 O ATOM 866 CG2 THR A 54 109.649 2.742 -13.029 1.00 0.00 C ATOM 0 H THR A 54 106.723 0.981 -10.999 1.00 0.00 H new ATOM 0 HA THR A 54 108.307 0.312 -13.310 1.00 0.00 H new ATOM 0 HB THR A 54 108.287 2.654 -11.370 1.00 0.00 H new ATOM 0 HG1 THR A 54 106.658 3.214 -12.592 1.00 0.00 H new ATOM 0 HG21 THR A 54 109.629 3.831 -13.082 1.00 0.00 H new ATOM 0 HG22 THR A 54 110.507 2.423 -12.437 1.00 0.00 H new ATOM 0 HG23 THR A 54 109.730 2.331 -14.035 1.00 0.00 H new ATOM 874 N PHE A 55 109.703 0.223 -10.338 1.00 0.00 N ATOM 875 CA PHE A 55 110.903 -0.252 -9.598 1.00 0.00 C ATOM 876 C PHE A 55 110.463 -0.757 -8.232 1.00 0.00 C ATOM 877 O PHE A 55 109.797 -0.067 -7.487 1.00 0.00 O ATOM 878 CB PHE A 55 111.916 0.878 -9.394 1.00 0.00 C ATOM 879 CG PHE A 55 112.980 0.415 -8.411 1.00 0.00 C ATOM 880 CD1 PHE A 55 113.814 -0.660 -8.739 1.00 0.00 C ATOM 881 CD2 PHE A 55 113.128 1.053 -7.169 1.00 0.00 C ATOM 882 CE1 PHE A 55 114.790 -1.092 -7.839 1.00 0.00 C ATOM 883 CE2 PHE A 55 114.108 0.616 -6.262 1.00 0.00 C ATOM 884 CZ PHE A 55 114.939 -0.457 -6.602 1.00 0.00 C ATOM 0 H PHE A 55 108.925 0.518 -9.748 1.00 0.00 H new ATOM 0 HA PHE A 55 111.376 -1.043 -10.180 1.00 0.00 H new ATOM 0 HB2 PHE A 55 112.374 1.150 -10.345 1.00 0.00 H new ATOM 0 HB3 PHE A 55 111.415 1.769 -9.015 1.00 0.00 H new ATOM 0 HD1 PHE A 55 113.702 -1.157 -9.691 1.00 0.00 H new ATOM 0 HD2 PHE A 55 112.486 1.882 -6.910 1.00 0.00 H new ATOM 0 HE1 PHE A 55 115.433 -1.920 -8.099 1.00 0.00 H new ATOM 0 HE2 PHE A 55 114.219 1.106 -5.306 1.00 0.00 H new ATOM 0 HZ PHE A 55 115.695 -0.795 -5.909 1.00 0.00 H new ATOM 894 N ILE A 56 110.848 -1.942 -7.889 1.00 0.00 N ATOM 895 CA ILE A 56 110.473 -2.480 -6.562 1.00 0.00 C ATOM 896 C ILE A 56 111.646 -3.291 -6.032 1.00 0.00 C ATOM 897 O ILE A 56 112.097 -4.230 -6.658 1.00 0.00 O ATOM 898 CB ILE A 56 109.234 -3.364 -6.685 1.00 0.00 C ATOM 899 CG1 ILE A 56 109.065 -4.195 -5.407 1.00 0.00 C ATOM 900 CG2 ILE A 56 109.404 -4.293 -7.884 1.00 0.00 C ATOM 901 CD1 ILE A 56 107.577 -4.367 -5.094 1.00 0.00 C ATOM 0 H ILE A 56 111.408 -2.565 -8.470 1.00 0.00 H new ATOM 0 HA ILE A 56 110.241 -1.664 -5.877 1.00 0.00 H new ATOM 0 HB ILE A 56 108.350 -2.742 -6.825 1.00 0.00 H new ATOM 0 HG12 ILE A 56 109.535 -5.171 -5.532 1.00 0.00 H new ATOM 0 HG13 ILE A 56 109.567 -3.704 -4.574 1.00 0.00 H new ATOM 0 HG21 ILE A 56 108.524 -4.928 -7.980 1.00 0.00 H new ATOM 0 HG22 ILE A 56 109.523 -3.699 -8.790 1.00 0.00 H new ATOM 0 HG23 ILE A 56 110.287 -4.916 -7.739 1.00 0.00 H new ATOM 0 HD11 ILE A 56 107.462 -4.958 -4.185 1.00 0.00 H new ATOM 0 HD12 ILE A 56 107.120 -3.388 -4.950 1.00 0.00 H new ATOM 0 HD13 ILE A 56 107.087 -4.878 -5.923 1.00 0.00 H new ATOM 913 N SER A 57 112.165 -2.924 -4.899 1.00 0.00 N ATOM 914 CA SER A 57 113.337 -3.675 -4.364 1.00 0.00 C ATOM 915 C SER A 57 113.165 -3.966 -2.875 1.00 0.00 C ATOM 916 O SER A 57 112.520 -3.234 -2.156 1.00 0.00 O ATOM 917 CB SER A 57 114.599 -2.841 -4.570 1.00 0.00 C ATOM 918 OG SER A 57 115.690 -3.466 -3.908 1.00 0.00 O ATOM 0 H SER A 57 111.837 -2.148 -4.324 1.00 0.00 H new ATOM 0 HA SER A 57 113.416 -4.623 -4.895 1.00 0.00 H new ATOM 0 HB2 SER A 57 114.813 -2.742 -5.634 1.00 0.00 H new ATOM 0 HB3 SER A 57 114.451 -1.834 -4.180 1.00 0.00 H new ATOM 0 HG SER A 57 116.128 -2.819 -3.317 1.00 0.00 H new ATOM 924 N ARG A 58 113.761 -5.033 -2.412 1.00 0.00 N ATOM 925 CA ARG A 58 113.661 -5.389 -0.969 1.00 0.00 C ATOM 926 C ARG A 58 115.043 -5.238 -0.323 1.00 0.00 C ATOM 927 O ARG A 58 116.007 -5.837 -0.761 1.00 0.00 O ATOM 928 CB ARG A 58 113.186 -6.839 -0.837 1.00 0.00 C ATOM 929 CG ARG A 58 112.657 -7.081 0.579 1.00 0.00 C ATOM 930 CD ARG A 58 112.382 -8.573 0.773 1.00 0.00 C ATOM 931 NE ARG A 58 111.707 -9.116 -0.438 1.00 0.00 N ATOM 932 CZ ARG A 58 111.916 -10.352 -0.808 1.00 0.00 C ATOM 933 NH1 ARG A 58 112.512 -11.186 0.002 1.00 0.00 N ATOM 934 NH2 ARG A 58 111.525 -10.757 -1.985 1.00 0.00 N ATOM 0 H ARG A 58 114.316 -5.676 -2.976 1.00 0.00 H new ATOM 0 HA ARG A 58 112.949 -4.731 -0.471 1.00 0.00 H new ATOM 0 HB2 ARG A 58 112.404 -7.044 -1.568 1.00 0.00 H new ATOM 0 HB3 ARG A 58 114.008 -7.522 -1.050 1.00 0.00 H new ATOM 0 HG2 ARG A 58 113.384 -6.736 1.314 1.00 0.00 H new ATOM 0 HG3 ARG A 58 111.744 -6.508 0.740 1.00 0.00 H new ATOM 0 HD2 ARG A 58 113.316 -9.106 0.951 1.00 0.00 H new ATOM 0 HD3 ARG A 58 111.755 -8.727 1.651 1.00 0.00 H new ATOM 0 HE ARG A 58 111.080 -8.522 -0.980 1.00 0.00 H new ATOM 0 HH11 ARG A 58 112.815 -10.873 0.924 1.00 0.00 H new ATOM 0 HH12 ARG A 58 112.675 -12.150 -0.288 1.00 0.00 H new ATOM 0 HH21 ARG A 58 111.056 -10.109 -2.617 1.00 0.00 H new ATOM 0 HH22 ARG A 58 111.689 -11.722 -2.273 1.00 0.00 H new ATOM 948 N HIS A 59 115.151 -4.437 0.704 1.00 0.00 N ATOM 949 CA HIS A 59 116.476 -4.242 1.362 1.00 0.00 C ATOM 950 C HIS A 59 116.393 -4.641 2.838 1.00 0.00 C ATOM 951 O HIS A 59 115.324 -4.864 3.374 1.00 0.00 O ATOM 952 CB HIS A 59 116.877 -2.769 1.263 1.00 0.00 C ATOM 953 CG HIS A 59 116.909 -2.349 -0.181 1.00 0.00 C ATOM 954 ND1 HIS A 59 118.084 -1.979 -0.815 1.00 0.00 N ATOM 955 CD2 HIS A 59 115.920 -2.230 -1.125 1.00 0.00 C ATOM 956 CE1 HIS A 59 117.775 -1.655 -2.084 1.00 0.00 C ATOM 957 NE2 HIS A 59 116.469 -1.791 -2.326 1.00 0.00 N ATOM 0 H HIS A 59 114.380 -3.910 1.115 1.00 0.00 H new ATOM 0 HA HIS A 59 117.218 -4.865 0.862 1.00 0.00 H new ATOM 0 HB2 HIS A 59 116.169 -2.151 1.816 1.00 0.00 H new ATOM 0 HB3 HIS A 59 117.856 -2.617 1.718 1.00 0.00 H new ATOM 0 HD1 HIS A 59 119.014 -1.956 -0.396 1.00 0.00 H new ATOM 0 HD2 HIS A 59 114.874 -2.444 -0.961 1.00 0.00 H new ATOM 0 HE1 HIS A 59 118.496 -1.325 -2.818 1.00 0.00 H new ATOM 965 N ASN A 60 117.515 -4.723 3.504 1.00 0.00 N ATOM 966 CA ASN A 60 117.507 -5.097 4.947 1.00 0.00 C ATOM 967 C ASN A 60 117.829 -3.860 5.790 1.00 0.00 C ATOM 968 O ASN A 60 118.637 -3.034 5.413 1.00 0.00 O ATOM 969 CB ASN A 60 118.564 -6.173 5.209 1.00 0.00 C ATOM 970 CG ASN A 60 118.674 -7.094 3.993 1.00 0.00 C ATOM 971 OD1 ASN A 60 118.887 -6.638 2.887 1.00 0.00 O ATOM 972 ND2 ASN A 60 118.540 -8.383 4.154 1.00 0.00 N ATOM 0 H ASN A 60 118.438 -4.546 3.109 1.00 0.00 H new ATOM 0 HA ASN A 60 116.523 -5.483 5.214 1.00 0.00 H new ATOM 0 HB2 ASN A 60 119.528 -5.707 5.413 1.00 0.00 H new ATOM 0 HB3 ASN A 60 118.296 -6.752 6.093 1.00 0.00 H new ATOM 0 HD21 ASN A 60 118.614 -9.008 3.351 1.00 0.00 H new ATOM 0 HD22 ASN A 60 118.361 -8.765 5.083 1.00 0.00 H new ATOM 979 N SER A 61 117.203 -3.725 6.927 1.00 0.00 N ATOM 980 CA SER A 61 117.479 -2.539 7.788 1.00 0.00 C ATOM 981 C SER A 61 118.100 -2.999 9.109 1.00 0.00 C ATOM 982 O SER A 61 119.295 -3.196 9.206 1.00 0.00 O ATOM 983 CB SER A 61 116.170 -1.796 8.062 1.00 0.00 C ATOM 984 OG SER A 61 115.101 -2.731 8.113 1.00 0.00 O ATOM 0 H SER A 61 116.515 -4.381 7.296 1.00 0.00 H new ATOM 0 HA SER A 61 118.174 -1.871 7.279 1.00 0.00 H new ATOM 0 HB2 SER A 61 116.238 -1.252 9.004 1.00 0.00 H new ATOM 0 HB3 SER A 61 115.986 -1.059 7.280 1.00 0.00 H new ATOM 0 HG SER A 61 114.261 -2.258 8.290 1.00 0.00 H new ATOM 990 N TYR A 62 117.304 -3.171 10.129 1.00 0.00 N ATOM 991 CA TYR A 62 117.858 -3.618 11.437 1.00 0.00 C ATOM 992 C TYR A 62 117.344 -5.024 11.746 1.00 0.00 C ATOM 993 O TYR A 62 118.090 -5.897 12.145 1.00 0.00 O ATOM 994 CB TYR A 62 117.410 -2.655 12.539 1.00 0.00 C ATOM 995 CG TYR A 62 117.906 -1.265 12.222 1.00 0.00 C ATOM 996 CD1 TYR A 62 117.212 -0.464 11.308 1.00 0.00 C ATOM 997 CD2 TYR A 62 119.063 -0.779 12.841 1.00 0.00 C ATOM 998 CE1 TYR A 62 117.674 0.822 11.013 1.00 0.00 C ATOM 999 CE2 TYR A 62 119.526 0.508 12.548 1.00 0.00 C ATOM 1000 CZ TYR A 62 118.832 1.310 11.633 1.00 0.00 C ATOM 1001 OH TYR A 62 119.288 2.580 11.341 1.00 0.00 O ATOM 0 H TYR A 62 116.295 -3.021 10.112 1.00 0.00 H new ATOM 0 HA TYR A 62 118.947 -3.628 11.389 1.00 0.00 H new ATOM 0 HB2 TYR A 62 116.323 -2.656 12.618 1.00 0.00 H new ATOM 0 HB3 TYR A 62 117.800 -2.981 13.503 1.00 0.00 H new ATOM 0 HD1 TYR A 62 116.319 -0.840 10.830 1.00 0.00 H new ATOM 0 HD2 TYR A 62 119.599 -1.398 13.545 1.00 0.00 H new ATOM 0 HE1 TYR A 62 117.138 1.439 10.307 1.00 0.00 H new ATOM 0 HE2 TYR A 62 120.418 0.883 13.027 1.00 0.00 H new ATOM 0 HH TYR A 62 119.862 2.547 10.547 1.00 0.00 H new ATOM 1011 N ASN A 63 116.074 -5.249 11.560 1.00 0.00 N ATOM 1012 CA ASN A 63 115.504 -6.596 11.837 1.00 0.00 C ATOM 1013 C ASN A 63 114.372 -6.874 10.852 1.00 0.00 C ATOM 1014 O ASN A 63 113.578 -7.772 11.042 1.00 0.00 O ATOM 1015 CB ASN A 63 114.955 -6.635 13.264 1.00 0.00 C ATOM 1016 CG ASN A 63 116.029 -6.146 14.237 1.00 0.00 C ATOM 1017 OD1 ASN A 63 116.924 -6.886 14.594 1.00 0.00 O ATOM 1018 ND2 ASN A 63 115.978 -4.922 14.685 1.00 0.00 N ATOM 0 H ASN A 63 115.404 -4.556 11.227 1.00 0.00 H new ATOM 0 HA ASN A 63 116.282 -7.352 11.727 1.00 0.00 H new ATOM 0 HB2 ASN A 63 114.067 -6.008 13.341 1.00 0.00 H new ATOM 0 HB3 ASN A 63 114.651 -7.650 13.521 1.00 0.00 H new ATOM 0 HD21 ASN A 63 116.689 -4.587 15.335 1.00 0.00 H new ATOM 0 HD22 ASN A 63 115.227 -4.300 14.386 1.00 0.00 H new ATOM 1025 N HIS A 64 114.285 -6.103 9.803 1.00 0.00 N ATOM 1026 CA HIS A 64 113.195 -6.319 8.815 1.00 0.00 C ATOM 1027 C HIS A 64 113.647 -5.843 7.434 1.00 0.00 C ATOM 1028 O HIS A 64 114.815 -5.602 7.206 1.00 0.00 O ATOM 1029 CB HIS A 64 111.961 -5.548 9.270 1.00 0.00 C ATOM 1030 CG HIS A 64 111.467 -6.157 10.551 1.00 0.00 C ATOM 1031 ND1 HIS A 64 111.392 -5.438 11.732 1.00 0.00 N ATOM 1032 CD2 HIS A 64 111.043 -7.426 10.857 1.00 0.00 C ATOM 1033 CE1 HIS A 64 110.938 -6.274 12.683 1.00 0.00 C ATOM 1034 NE2 HIS A 64 110.711 -7.497 12.203 1.00 0.00 N ATOM 0 H HIS A 64 114.921 -5.335 9.589 1.00 0.00 H new ATOM 0 HA HIS A 64 112.953 -7.380 8.749 1.00 0.00 H new ATOM 0 HB2 HIS A 64 112.205 -4.496 9.419 1.00 0.00 H new ATOM 0 HB3 HIS A 64 111.185 -5.590 8.506 1.00 0.00 H new ATOM 0 HD2 HIS A 64 110.978 -8.245 10.157 1.00 0.00 H new ATOM 0 HE1 HIS A 64 110.777 -5.989 13.712 1.00 0.00 H new ATOM 0 HE2 HIS A 64 110.367 -8.310 12.715 1.00 0.00 H new ATOM 1042 N ASN A 65 112.740 -5.722 6.502 1.00 0.00 N ATOM 1043 CA ASN A 65 113.148 -5.281 5.139 1.00 0.00 C ATOM 1044 C ASN A 65 112.170 -4.240 4.588 1.00 0.00 C ATOM 1045 O ASN A 65 110.986 -4.253 4.881 1.00 0.00 O ATOM 1046 CB ASN A 65 113.175 -6.494 4.207 1.00 0.00 C ATOM 1047 CG ASN A 65 114.342 -7.403 4.593 1.00 0.00 C ATOM 1048 OD1 ASN A 65 115.410 -7.317 4.020 1.00 0.00 O ATOM 1049 ND2 ASN A 65 114.184 -8.276 5.549 1.00 0.00 N ATOM 0 H ASN A 65 111.744 -5.907 6.624 1.00 0.00 H new ATOM 0 HA ASN A 65 114.138 -4.829 5.199 1.00 0.00 H new ATOM 0 HB2 ASN A 65 112.235 -7.041 4.276 1.00 0.00 H new ATOM 0 HB3 ASN A 65 113.279 -6.169 3.172 1.00 0.00 H new ATOM 0 HD21 ASN A 65 114.957 -8.886 5.815 1.00 0.00 H new ATOM 0 HD22 ASN A 65 113.288 -8.349 6.030 1.00 0.00 H new ATOM 1056 N ILE A 66 112.664 -3.344 3.776 1.00 0.00 N ATOM 1057 CA ILE A 66 111.790 -2.299 3.176 1.00 0.00 C ATOM 1058 C ILE A 66 111.622 -2.598 1.688 1.00 0.00 C ATOM 1059 O ILE A 66 112.583 -2.685 0.950 1.00 0.00 O ATOM 1060 CB ILE A 66 112.440 -0.927 3.349 1.00 0.00 C ATOM 1061 CG1 ILE A 66 112.429 -0.542 4.828 1.00 0.00 C ATOM 1062 CG2 ILE A 66 111.659 0.115 2.544 1.00 0.00 C ATOM 1063 CD1 ILE A 66 113.517 -1.321 5.568 1.00 0.00 C ATOM 0 H ILE A 66 113.645 -3.292 3.501 1.00 0.00 H new ATOM 0 HA ILE A 66 110.818 -2.299 3.669 1.00 0.00 H new ATOM 0 HB ILE A 66 113.469 -0.965 2.990 1.00 0.00 H new ATOM 0 HG12 ILE A 66 112.597 0.530 4.937 1.00 0.00 H new ATOM 0 HG13 ILE A 66 111.453 -0.758 5.263 1.00 0.00 H new ATOM 0 HG21 ILE A 66 112.123 1.093 2.668 1.00 0.00 H new ATOM 0 HG22 ILE A 66 111.667 -0.159 1.489 1.00 0.00 H new ATOM 0 HG23 ILE A 66 110.630 0.154 2.901 1.00 0.00 H new ATOM 0 HD11 ILE A 66 113.508 -1.046 6.623 1.00 0.00 H new ATOM 0 HD12 ILE A 66 113.329 -2.390 5.471 1.00 0.00 H new ATOM 0 HD13 ILE A 66 114.490 -1.083 5.139 1.00 0.00 H new ATOM 1075 N LEU A 67 110.412 -2.775 1.240 1.00 0.00 N ATOM 1076 CA LEU A 67 110.194 -3.088 -0.196 1.00 0.00 C ATOM 1077 C LEU A 67 109.630 -1.867 -0.929 1.00 0.00 C ATOM 1078 O LEU A 67 108.468 -1.537 -0.796 1.00 0.00 O ATOM 1079 CB LEU A 67 109.202 -4.255 -0.299 1.00 0.00 C ATOM 1080 CG LEU A 67 108.708 -4.408 -1.741 1.00 0.00 C ATOM 1081 CD1 LEU A 67 109.201 -5.739 -2.311 1.00 0.00 C ATOM 1082 CD2 LEU A 67 107.177 -4.393 -1.756 1.00 0.00 C ATOM 0 H LEU A 67 109.566 -2.716 1.806 1.00 0.00 H new ATOM 0 HA LEU A 67 111.144 -3.359 -0.657 1.00 0.00 H new ATOM 0 HB2 LEU A 67 109.681 -5.178 0.028 1.00 0.00 H new ATOM 0 HB3 LEU A 67 108.356 -4.082 0.366 1.00 0.00 H new ATOM 0 HG LEU A 67 109.092 -3.586 -2.345 1.00 0.00 H new ATOM 0 HD11 LEU A 67 108.850 -5.848 -3.337 1.00 0.00 H new ATOM 0 HD12 LEU A 67 110.291 -5.760 -2.297 1.00 0.00 H new ATOM 0 HD13 LEU A 67 108.815 -6.559 -1.706 1.00 0.00 H new ATOM 0 HD21 LEU A 67 106.822 -4.502 -2.781 1.00 0.00 H new ATOM 0 HD22 LEU A 67 106.799 -5.218 -1.152 1.00 0.00 H new ATOM 0 HD23 LEU A 67 106.818 -3.449 -1.346 1.00 0.00 H new ATOM 1094 N PHE A 68 110.429 -1.210 -1.734 1.00 0.00 N ATOM 1095 CA PHE A 68 109.901 -0.042 -2.495 1.00 0.00 C ATOM 1096 C PHE A 68 109.119 -0.586 -3.675 1.00 0.00 C ATOM 1097 O PHE A 68 109.364 -1.688 -4.119 1.00 0.00 O ATOM 1098 CB PHE A 68 111.026 0.805 -3.094 1.00 0.00 C ATOM 1099 CG PHE A 68 111.999 1.281 -2.053 1.00 0.00 C ATOM 1100 CD1 PHE A 68 111.587 2.144 -1.031 1.00 0.00 C ATOM 1101 CD2 PHE A 68 113.334 0.889 -2.146 1.00 0.00 C ATOM 1102 CE1 PHE A 68 112.517 2.606 -0.098 1.00 0.00 C ATOM 1103 CE2 PHE A 68 114.263 1.353 -1.223 1.00 0.00 C ATOM 1104 CZ PHE A 68 113.859 2.213 -0.192 1.00 0.00 C ATOM 0 H PHE A 68 111.412 -1.430 -1.894 1.00 0.00 H new ATOM 0 HA PHE A 68 109.307 0.567 -1.813 1.00 0.00 H new ATOM 0 HB2 PHE A 68 111.558 0.220 -3.844 1.00 0.00 H new ATOM 0 HB3 PHE A 68 110.596 1.666 -3.607 1.00 0.00 H new ATOM 0 HD1 PHE A 68 110.554 2.451 -0.964 1.00 0.00 H new ATOM 0 HD2 PHE A 68 113.646 0.223 -2.937 1.00 0.00 H new ATOM 0 HE1 PHE A 68 112.202 3.266 0.696 1.00 0.00 H new ATOM 0 HE2 PHE A 68 115.297 1.051 -1.300 1.00 0.00 H new ATOM 0 HZ PHE A 68 114.580 2.572 0.528 1.00 0.00 H new ATOM 1114 N PHE A 69 108.214 0.179 -4.213 1.00 0.00 N ATOM 1115 CA PHE A 69 107.462 -0.307 -5.397 1.00 0.00 C ATOM 1116 C PHE A 69 106.625 0.829 -5.980 1.00 0.00 C ATOM 1117 O PHE A 69 105.650 1.276 -5.401 1.00 0.00 O ATOM 1118 CB PHE A 69 106.591 -1.509 -5.015 1.00 0.00 C ATOM 1119 CG PHE A 69 105.308 -1.073 -4.349 1.00 0.00 C ATOM 1120 CD1 PHE A 69 105.304 -0.739 -2.991 1.00 0.00 C ATOM 1121 CD2 PHE A 69 104.114 -1.042 -5.082 1.00 0.00 C ATOM 1122 CE1 PHE A 69 104.107 -0.368 -2.367 1.00 0.00 C ATOM 1123 CE2 PHE A 69 102.921 -0.678 -4.459 1.00 0.00 C ATOM 1124 CZ PHE A 69 102.915 -0.339 -3.100 1.00 0.00 C ATOM 0 H PHE A 69 107.964 1.113 -3.887 1.00 0.00 H new ATOM 0 HA PHE A 69 108.164 -0.638 -6.162 1.00 0.00 H new ATOM 0 HB2 PHE A 69 106.360 -2.090 -5.908 1.00 0.00 H new ATOM 0 HB3 PHE A 69 107.147 -2.164 -4.343 1.00 0.00 H new ATOM 0 HD1 PHE A 69 106.223 -0.767 -2.424 1.00 0.00 H new ATOM 0 HD2 PHE A 69 104.118 -1.300 -6.131 1.00 0.00 H new ATOM 0 HE1 PHE A 69 104.103 -0.104 -1.320 1.00 0.00 H new ATOM 0 HE2 PHE A 69 102.001 -0.657 -5.025 1.00 0.00 H new ATOM 0 HZ PHE A 69 101.991 -0.055 -2.618 1.00 0.00 H new ATOM 1134 N LEU A 70 107.021 1.301 -7.132 1.00 0.00 N ATOM 1135 CA LEU A 70 106.282 2.410 -7.792 1.00 0.00 C ATOM 1136 C LEU A 70 105.125 1.822 -8.587 1.00 0.00 C ATOM 1137 O LEU A 70 104.841 0.645 -8.504 1.00 0.00 O ATOM 1138 CB LEU A 70 107.222 3.151 -8.746 1.00 0.00 C ATOM 1139 CG LEU A 70 108.534 3.468 -8.031 1.00 0.00 C ATOM 1140 CD1 LEU A 70 109.594 3.869 -9.057 1.00 0.00 C ATOM 1141 CD2 LEU A 70 108.305 4.624 -7.061 1.00 0.00 C ATOM 0 H LEU A 70 107.833 0.960 -7.647 1.00 0.00 H new ATOM 0 HA LEU A 70 105.906 3.104 -7.040 1.00 0.00 H new ATOM 0 HB2 LEU A 70 107.415 2.541 -9.628 1.00 0.00 H new ATOM 0 HB3 LEU A 70 106.753 4.072 -9.092 1.00 0.00 H new ATOM 0 HG LEU A 70 108.876 2.588 -7.485 1.00 0.00 H new ATOM 0 HD11 LEU A 70 110.529 4.095 -8.545 1.00 0.00 H new ATOM 0 HD12 LEU A 70 109.752 3.048 -9.756 1.00 0.00 H new ATOM 0 HD13 LEU A 70 109.257 4.751 -9.603 1.00 0.00 H new ATOM 0 HD21 LEU A 70 109.237 4.857 -6.546 1.00 0.00 H new ATOM 0 HD22 LEU A 70 107.967 5.501 -7.613 1.00 0.00 H new ATOM 0 HD23 LEU A 70 107.548 4.341 -6.330 1.00 0.00 H new ATOM 1153 N THR A 71 104.454 2.627 -9.359 1.00 0.00 N ATOM 1154 CA THR A 71 103.316 2.099 -10.158 1.00 0.00 C ATOM 1155 C THR A 71 103.011 3.045 -11.326 1.00 0.00 C ATOM 1156 O THR A 71 103.244 4.234 -11.236 1.00 0.00 O ATOM 1157 CB THR A 71 102.081 1.989 -9.264 1.00 0.00 C ATOM 1158 OG1 THR A 71 101.797 3.263 -8.705 1.00 0.00 O ATOM 1159 CG2 THR A 71 102.338 0.982 -8.137 1.00 0.00 C ATOM 0 H THR A 71 104.643 3.623 -9.471 1.00 0.00 H new ATOM 0 HA THR A 71 103.580 1.117 -10.551 1.00 0.00 H new ATOM 0 HB THR A 71 101.233 1.648 -9.858 1.00 0.00 H new ATOM 0 HG1 THR A 71 100.854 3.301 -8.440 1.00 0.00 H new ATOM 0 HG21 THR A 71 101.453 0.910 -7.505 1.00 0.00 H new ATOM 0 HG22 THR A 71 102.558 0.004 -8.566 1.00 0.00 H new ATOM 0 HG23 THR A 71 103.186 1.315 -7.538 1.00 0.00 H new ATOM 1167 N PRO A 72 102.484 2.481 -12.385 1.00 0.00 N ATOM 1168 CA PRO A 72 102.116 3.242 -13.592 1.00 0.00 C ATOM 1169 C PRO A 72 100.783 3.961 -13.369 1.00 0.00 C ATOM 1170 O PRO A 72 100.743 5.143 -13.087 1.00 0.00 O ATOM 1171 CB PRO A 72 101.978 2.161 -14.668 1.00 0.00 C ATOM 1172 CG PRO A 72 101.714 0.833 -13.920 1.00 0.00 C ATOM 1173 CD PRO A 72 102.210 1.032 -12.476 1.00 0.00 C ATOM 0 HA PRO A 72 102.842 4.010 -13.860 1.00 0.00 H new ATOM 0 HB2 PRO A 72 101.159 2.393 -15.349 1.00 0.00 H new ATOM 0 HB3 PRO A 72 102.884 2.094 -15.270 1.00 0.00 H new ATOM 0 HG2 PRO A 72 100.653 0.585 -13.934 1.00 0.00 H new ATOM 0 HG3 PRO A 72 102.240 0.008 -14.400 1.00 0.00 H new ATOM 0 HD2 PRO A 72 101.458 0.722 -11.750 1.00 0.00 H new ATOM 0 HD3 PRO A 72 103.106 0.444 -12.278 1.00 0.00 H new ATOM 1181 N HIS A 73 99.691 3.254 -13.480 1.00 0.00 N ATOM 1182 CA HIS A 73 98.365 3.895 -13.260 1.00 0.00 C ATOM 1183 C HIS A 73 98.312 4.438 -11.830 1.00 0.00 C ATOM 1184 O HIS A 73 97.973 3.735 -10.908 1.00 0.00 O ATOM 1185 CB HIS A 73 97.255 2.853 -13.457 1.00 0.00 C ATOM 1186 CG HIS A 73 97.426 1.743 -12.456 1.00 0.00 C ATOM 1187 ND1 HIS A 73 96.712 1.703 -11.270 1.00 0.00 N ATOM 1188 CD2 HIS A 73 98.243 0.639 -12.439 1.00 0.00 C ATOM 1189 CE1 HIS A 73 97.114 0.614 -10.587 1.00 0.00 C ATOM 1190 NE2 HIS A 73 98.045 -0.072 -11.258 1.00 0.00 N ATOM 0 H HIS A 73 99.661 2.261 -13.713 1.00 0.00 H new ATOM 0 HA HIS A 73 98.222 4.709 -13.970 1.00 0.00 H new ATOM 0 HB2 HIS A 73 96.278 3.320 -13.335 1.00 0.00 H new ATOM 0 HB3 HIS A 73 97.293 2.453 -14.470 1.00 0.00 H new ATOM 0 HD2 HIS A 73 98.934 0.364 -13.222 1.00 0.00 H new ATOM 0 HE1 HIS A 73 96.732 0.330 -9.618 1.00 0.00 H new ATOM 0 HE2 HIS A 73 98.510 -0.932 -10.967 1.00 0.00 H new ATOM 1198 N ARG A 74 98.664 5.680 -11.639 1.00 0.00 N ATOM 1199 CA ARG A 74 98.653 6.267 -10.264 1.00 0.00 C ATOM 1200 C ARG A 74 97.421 5.793 -9.483 1.00 0.00 C ATOM 1201 O ARG A 74 96.360 5.588 -10.038 1.00 0.00 O ATOM 1202 CB ARG A 74 98.623 7.792 -10.370 1.00 0.00 C ATOM 1203 CG ARG A 74 97.443 8.215 -11.245 1.00 0.00 C ATOM 1204 CD ARG A 74 97.297 9.736 -11.211 1.00 0.00 C ATOM 1205 NE ARG A 74 95.905 10.106 -11.594 1.00 0.00 N ATOM 1206 CZ ARG A 74 95.360 11.188 -11.108 1.00 0.00 C ATOM 1207 NH1 ARG A 74 95.871 12.356 -11.385 1.00 0.00 N ATOM 1208 NH2 ARG A 74 94.305 11.101 -10.346 1.00 0.00 N ATOM 0 H ARG A 74 98.960 6.318 -12.378 1.00 0.00 H new ATOM 0 HA ARG A 74 99.550 5.942 -9.736 1.00 0.00 H new ATOM 0 HB2 ARG A 74 98.532 8.235 -9.378 1.00 0.00 H new ATOM 0 HB3 ARG A 74 99.557 8.157 -10.798 1.00 0.00 H new ATOM 0 HG2 ARG A 74 97.598 7.878 -12.270 1.00 0.00 H new ATOM 0 HG3 ARG A 74 96.527 7.744 -10.890 1.00 0.00 H new ATOM 0 HD2 ARG A 74 97.524 10.112 -10.214 1.00 0.00 H new ATOM 0 HD3 ARG A 74 98.009 10.197 -11.895 1.00 0.00 H new ATOM 0 HE ARG A 74 95.378 9.514 -12.236 1.00 0.00 H new ATOM 0 HH11 ARG A 74 96.696 12.423 -11.981 1.00 0.00 H new ATOM 0 HH12 ARG A 74 95.446 13.202 -11.006 1.00 0.00 H new ATOM 0 HH21 ARG A 74 93.906 10.188 -10.130 1.00 0.00 H new ATOM 0 HH22 ARG A 74 93.879 11.946 -9.966 1.00 0.00 H new ATOM 1222 N HIS A 75 97.557 5.634 -8.190 1.00 0.00 N ATOM 1223 CA HIS A 75 96.399 5.192 -7.355 1.00 0.00 C ATOM 1224 C HIS A 75 96.265 6.120 -6.151 1.00 0.00 C ATOM 1225 O HIS A 75 96.719 7.247 -6.160 1.00 0.00 O ATOM 1226 CB HIS A 75 96.613 3.767 -6.820 1.00 0.00 C ATOM 1227 CG HIS A 75 97.775 3.107 -7.498 1.00 0.00 C ATOM 1228 ND1 HIS A 75 97.709 2.663 -8.800 1.00 0.00 N ATOM 1229 CD2 HIS A 75 99.032 2.794 -7.057 1.00 0.00 C ATOM 1230 CE1 HIS A 75 98.899 2.110 -9.099 1.00 0.00 C ATOM 1231 NE2 HIS A 75 99.740 2.164 -8.068 1.00 0.00 N ATOM 0 H HIS A 75 98.423 5.792 -7.676 1.00 0.00 H new ATOM 0 HA HIS A 75 95.506 5.217 -7.980 1.00 0.00 H new ATOM 0 HB2 HIS A 75 96.786 3.801 -5.744 1.00 0.00 H new ATOM 0 HB3 HIS A 75 95.711 3.176 -6.979 1.00 0.00 H new ATOM 0 HD1 HIS A 75 96.905 2.739 -9.424 1.00 0.00 H new ATOM 0 HD2 HIS A 75 99.415 3.006 -6.070 1.00 0.00 H new ATOM 0 HE1 HIS A 75 99.142 1.676 -10.058 1.00 0.00 H new ATOM 1239 N ARG A 76 95.663 5.632 -5.103 1.00 0.00 N ATOM 1240 CA ARG A 76 95.510 6.446 -3.870 1.00 0.00 C ATOM 1241 C ARG A 76 96.055 5.625 -2.699 1.00 0.00 C ATOM 1242 O ARG A 76 95.730 4.465 -2.545 1.00 0.00 O ATOM 1243 CB ARG A 76 94.030 6.760 -3.640 1.00 0.00 C ATOM 1244 CG ARG A 76 93.868 7.540 -2.335 1.00 0.00 C ATOM 1245 CD ARG A 76 93.298 8.928 -2.636 1.00 0.00 C ATOM 1246 NE ARG A 76 91.968 9.074 -1.978 1.00 0.00 N ATOM 1247 CZ ARG A 76 90.903 8.568 -2.538 1.00 0.00 C ATOM 1248 NH1 ARG A 76 90.325 9.192 -3.527 1.00 0.00 N ATOM 1249 NH2 ARG A 76 90.414 7.437 -2.106 1.00 0.00 N ATOM 0 H ARG A 76 95.267 4.694 -5.050 1.00 0.00 H new ATOM 0 HA ARG A 76 96.053 7.386 -3.961 1.00 0.00 H new ATOM 0 HB2 ARG A 76 93.637 7.341 -4.474 1.00 0.00 H new ATOM 0 HB3 ARG A 76 93.454 5.836 -3.597 1.00 0.00 H new ATOM 0 HG2 ARG A 76 93.205 7.002 -1.658 1.00 0.00 H new ATOM 0 HG3 ARG A 76 94.831 7.632 -1.832 1.00 0.00 H new ATOM 0 HD2 ARG A 76 93.980 9.698 -2.276 1.00 0.00 H new ATOM 0 HD3 ARG A 76 93.200 9.067 -3.713 1.00 0.00 H new ATOM 0 HE ARG A 76 91.890 9.570 -1.090 1.00 0.00 H new ATOM 0 HH11 ARG A 76 90.705 10.077 -3.864 1.00 0.00 H new ATOM 0 HH12 ARG A 76 89.493 8.795 -3.964 1.00 0.00 H new ATOM 0 HH21 ARG A 76 90.864 6.949 -1.331 1.00 0.00 H new ATOM 0 HH22 ARG A 76 89.582 7.041 -2.543 1.00 0.00 H new ATOM 1263 N VAL A 77 96.893 6.202 -1.884 1.00 0.00 N ATOM 1264 CA VAL A 77 97.460 5.430 -0.741 1.00 0.00 C ATOM 1265 C VAL A 77 96.350 4.624 -0.060 1.00 0.00 C ATOM 1266 O VAL A 77 96.602 3.615 0.565 1.00 0.00 O ATOM 1267 CB VAL A 77 98.108 6.394 0.256 1.00 0.00 C ATOM 1268 CG1 VAL A 77 98.314 5.690 1.600 1.00 0.00 C ATOM 1269 CG2 VAL A 77 99.462 6.838 -0.298 1.00 0.00 C ATOM 0 H VAL A 77 97.209 7.169 -1.958 1.00 0.00 H new ATOM 0 HA VAL A 77 98.219 4.739 -1.108 1.00 0.00 H new ATOM 0 HB VAL A 77 97.462 7.259 0.403 1.00 0.00 H new ATOM 0 HG11 VAL A 77 98.775 6.381 2.306 1.00 0.00 H new ATOM 0 HG12 VAL A 77 97.351 5.362 1.990 1.00 0.00 H new ATOM 0 HG13 VAL A 77 98.963 4.825 1.462 1.00 0.00 H new ATOM 0 HG21 VAL A 77 99.934 7.526 0.403 1.00 0.00 H new ATOM 0 HG22 VAL A 77 100.101 5.966 -0.438 1.00 0.00 H new ATOM 0 HG23 VAL A 77 99.317 7.339 -1.255 1.00 0.00 H new ATOM 1279 N SER A 78 95.123 5.053 -0.181 1.00 0.00 N ATOM 1280 CA SER A 78 94.008 4.296 0.454 1.00 0.00 C ATOM 1281 C SER A 78 93.832 2.955 -0.268 1.00 0.00 C ATOM 1282 O SER A 78 93.777 1.910 0.348 1.00 0.00 O ATOM 1283 CB SER A 78 92.716 5.107 0.345 1.00 0.00 C ATOM 1284 OG SER A 78 91.620 4.303 0.760 1.00 0.00 O ATOM 0 H SER A 78 94.846 5.892 -0.690 1.00 0.00 H new ATOM 0 HA SER A 78 94.237 4.118 1.505 1.00 0.00 H new ATOM 0 HB2 SER A 78 92.781 6.001 0.965 1.00 0.00 H new ATOM 0 HB3 SER A 78 92.568 5.441 -0.682 1.00 0.00 H new ATOM 0 HG SER A 78 90.791 4.821 0.693 1.00 0.00 H new ATOM 1290 N ALA A 79 93.744 2.979 -1.572 1.00 0.00 N ATOM 1291 CA ALA A 79 93.572 1.709 -2.338 1.00 0.00 C ATOM 1292 C ALA A 79 94.805 0.821 -2.144 1.00 0.00 C ATOM 1293 O ALA A 79 94.704 -0.311 -1.717 1.00 0.00 O ATOM 1294 CB ALA A 79 93.404 2.030 -3.824 1.00 0.00 C ATOM 0 H ALA A 79 93.784 3.825 -2.141 1.00 0.00 H new ATOM 0 HA ALA A 79 92.688 1.184 -1.976 1.00 0.00 H new ATOM 0 HB1 ALA A 79 93.278 1.104 -4.384 1.00 0.00 H new ATOM 0 HB2 ALA A 79 92.526 2.660 -3.963 1.00 0.00 H new ATOM 0 HB3 ALA A 79 94.288 2.555 -4.185 1.00 0.00 H new ATOM 1300 N ILE A 80 95.967 1.328 -2.450 1.00 0.00 N ATOM 1301 CA ILE A 80 97.202 0.517 -2.274 1.00 0.00 C ATOM 1302 C ILE A 80 97.277 0.064 -0.817 1.00 0.00 C ATOM 1303 O ILE A 80 97.793 -0.992 -0.505 1.00 0.00 O ATOM 1304 CB ILE A 80 98.425 1.374 -2.607 1.00 0.00 C ATOM 1305 CG1 ILE A 80 98.349 1.830 -4.074 1.00 0.00 C ATOM 1306 CG2 ILE A 80 99.702 0.563 -2.372 1.00 0.00 C ATOM 1307 CD1 ILE A 80 98.910 0.747 -5.002 1.00 0.00 C ATOM 0 H ILE A 80 96.114 2.269 -2.814 1.00 0.00 H new ATOM 0 HA ILE A 80 97.182 -0.349 -2.936 1.00 0.00 H new ATOM 0 HB ILE A 80 98.441 2.252 -1.962 1.00 0.00 H new ATOM 0 HG12 ILE A 80 97.314 2.046 -4.341 1.00 0.00 H new ATOM 0 HG13 ILE A 80 98.911 2.755 -4.203 1.00 0.00 H new ATOM 0 HG21 ILE A 80 100.571 1.176 -2.610 1.00 0.00 H new ATOM 0 HG22 ILE A 80 99.750 0.255 -1.328 1.00 0.00 H new ATOM 0 HG23 ILE A 80 99.695 -0.320 -3.011 1.00 0.00 H new ATOM 0 HD11 ILE A 80 98.848 1.086 -6.036 1.00 0.00 H new ATOM 0 HD12 ILE A 80 99.951 0.552 -4.746 1.00 0.00 H new ATOM 0 HD13 ILE A 80 98.330 -0.168 -4.885 1.00 0.00 H new ATOM 1319 N ASN A 81 96.746 0.855 0.074 1.00 0.00 N ATOM 1320 CA ASN A 81 96.762 0.480 1.512 1.00 0.00 C ATOM 1321 C ASN A 81 95.833 -0.715 1.711 1.00 0.00 C ATOM 1322 O ASN A 81 96.094 -1.594 2.503 1.00 0.00 O ATOM 1323 CB ASN A 81 96.272 1.661 2.354 1.00 0.00 C ATOM 1324 CG ASN A 81 96.126 1.223 3.813 1.00 0.00 C ATOM 1325 OD1 ASN A 81 97.107 1.009 4.497 1.00 0.00 O ATOM 1326 ND2 ASN A 81 94.932 1.083 4.321 1.00 0.00 N ATOM 0 H ASN A 81 96.300 1.748 -0.135 1.00 0.00 H new ATOM 0 HA ASN A 81 97.774 0.220 1.822 1.00 0.00 H new ATOM 0 HB2 ASN A 81 96.976 2.490 2.281 1.00 0.00 H new ATOM 0 HB3 ASN A 81 95.316 2.020 1.974 1.00 0.00 H new ATOM 0 HD21 ASN A 81 94.822 0.794 5.293 1.00 0.00 H new ATOM 0 HD22 ASN A 81 94.109 1.263 3.746 1.00 0.00 H new ATOM 1333 N ASN A 82 94.752 -0.761 0.987 1.00 0.00 N ATOM 1334 CA ASN A 82 93.821 -1.909 1.128 1.00 0.00 C ATOM 1335 C ASN A 82 94.567 -3.192 0.761 1.00 0.00 C ATOM 1336 O ASN A 82 94.179 -4.279 1.142 1.00 0.00 O ATOM 1337 CB ASN A 82 92.624 -1.721 0.193 1.00 0.00 C ATOM 1338 CG ASN A 82 91.327 -1.845 0.993 1.00 0.00 C ATOM 1339 OD1 ASN A 82 91.204 -2.706 1.842 1.00 0.00 O ATOM 1340 ND2 ASN A 82 90.347 -1.015 0.760 1.00 0.00 N ATOM 0 H ASN A 82 94.474 -0.055 0.306 1.00 0.00 H new ATOM 0 HA ASN A 82 93.460 -1.971 2.155 1.00 0.00 H new ATOM 0 HB2 ASN A 82 92.675 -0.744 -0.288 1.00 0.00 H new ATOM 0 HB3 ASN A 82 92.647 -2.469 -0.600 1.00 0.00 H new ATOM 0 HD21 ASN A 82 89.479 -1.089 1.290 1.00 0.00 H new ATOM 0 HD22 ASN A 82 90.449 -0.292 0.048 1.00 0.00 H new ATOM 1347 N TYR A 83 95.641 -3.075 0.025 1.00 0.00 N ATOM 1348 CA TYR A 83 96.417 -4.290 -0.361 1.00 0.00 C ATOM 1349 C TYR A 83 97.487 -4.568 0.702 1.00 0.00 C ATOM 1350 O TYR A 83 97.359 -5.480 1.494 1.00 0.00 O ATOM 1351 CB TYR A 83 97.077 -4.059 -1.728 1.00 0.00 C ATOM 1352 CG TYR A 83 98.048 -5.179 -2.053 1.00 0.00 C ATOM 1353 CD1 TYR A 83 98.033 -6.377 -1.322 1.00 0.00 C ATOM 1354 CD2 TYR A 83 98.974 -5.011 -3.092 1.00 0.00 C ATOM 1355 CE1 TYR A 83 98.941 -7.395 -1.628 1.00 0.00 C ATOM 1356 CE2 TYR A 83 99.878 -6.033 -3.398 1.00 0.00 C ATOM 1357 CZ TYR A 83 99.861 -7.224 -2.666 1.00 0.00 C ATOM 1358 OH TYR A 83 100.755 -8.228 -2.963 1.00 0.00 O ATOM 0 H TYR A 83 96.014 -2.192 -0.325 1.00 0.00 H new ATOM 0 HA TYR A 83 95.750 -5.150 -0.428 1.00 0.00 H new ATOM 0 HB2 TYR A 83 96.311 -4.000 -2.501 1.00 0.00 H new ATOM 0 HB3 TYR A 83 97.603 -3.104 -1.726 1.00 0.00 H new ATOM 0 HD1 TYR A 83 97.320 -6.513 -0.523 1.00 0.00 H new ATOM 0 HD2 TYR A 83 98.989 -4.091 -3.657 1.00 0.00 H new ATOM 0 HE1 TYR A 83 98.931 -8.315 -1.062 1.00 0.00 H new ATOM 0 HE2 TYR A 83 100.589 -5.902 -4.200 1.00 0.00 H new ATOM 0 HH TYR A 83 100.411 -9.082 -2.628 1.00 0.00 H new ATOM 1368 N ALA A 84 98.540 -3.799 0.723 1.00 0.00 N ATOM 1369 CA ALA A 84 99.616 -4.033 1.731 1.00 0.00 C ATOM 1370 C ALA A 84 99.003 -4.164 3.127 1.00 0.00 C ATOM 1371 O ALA A 84 99.333 -5.058 3.880 1.00 0.00 O ATOM 1372 CB ALA A 84 100.592 -2.856 1.714 1.00 0.00 C ATOM 0 H ALA A 84 98.703 -3.019 0.087 1.00 0.00 H new ATOM 0 HA ALA A 84 100.145 -4.953 1.484 1.00 0.00 H new ATOM 0 HB1 ALA A 84 101.379 -3.025 2.449 1.00 0.00 H new ATOM 0 HB2 ALA A 84 101.036 -2.766 0.722 1.00 0.00 H new ATOM 0 HB3 ALA A 84 100.058 -1.937 1.958 1.00 0.00 H new ATOM 1378 N GLN A 85 98.123 -3.275 3.478 1.00 0.00 N ATOM 1379 CA GLN A 85 97.494 -3.336 4.828 1.00 0.00 C ATOM 1380 C GLN A 85 96.632 -4.596 4.948 1.00 0.00 C ATOM 1381 O GLN A 85 96.478 -5.149 6.018 1.00 0.00 O ATOM 1382 CB GLN A 85 96.617 -2.098 5.040 1.00 0.00 C ATOM 1383 CG GLN A 85 96.726 -1.628 6.494 1.00 0.00 C ATOM 1384 CD GLN A 85 96.597 -2.826 7.436 1.00 0.00 C ATOM 1385 OE1 GLN A 85 97.575 -3.105 8.255 1.00 0.00 O flip ATOM 1386 NE2 GLN A 85 95.595 -3.513 7.431 1.00 0.00 N flip ATOM 0 H GLN A 85 97.809 -2.504 2.888 1.00 0.00 H new ATOM 0 HA GLN A 85 98.278 -3.365 5.585 1.00 0.00 H new ATOM 0 HB2 GLN A 85 96.929 -1.300 4.366 1.00 0.00 H new ATOM 0 HB3 GLN A 85 95.579 -2.331 4.800 1.00 0.00 H new ATOM 0 HG2 GLN A 85 97.682 -1.129 6.654 1.00 0.00 H new ATOM 0 HG3 GLN A 85 95.945 -0.898 6.710 1.00 0.00 H new ATOM 0 HE21 GLN A 85 94.831 -3.296 6.791 1.00 0.00 H new ATOM 0 HE22 GLN A 85 95.518 -4.307 8.066 1.00 0.00 H new ATOM 1395 N LYS A 86 96.072 -5.062 3.862 1.00 0.00 N ATOM 1396 CA LYS A 86 95.232 -6.290 3.934 1.00 0.00 C ATOM 1397 C LYS A 86 96.124 -7.471 4.312 1.00 0.00 C ATOM 1398 O LYS A 86 95.658 -8.516 4.719 1.00 0.00 O ATOM 1399 CB LYS A 86 94.576 -6.545 2.572 1.00 0.00 C ATOM 1400 CG LYS A 86 94.052 -7.983 2.511 1.00 0.00 C ATOM 1401 CD LYS A 86 93.172 -8.155 1.271 1.00 0.00 C ATOM 1402 CE LYS A 86 92.688 -9.605 1.188 1.00 0.00 C ATOM 1403 NZ LYS A 86 92.988 -10.152 -0.165 1.00 0.00 N ATOM 0 H LYS A 86 96.160 -4.647 2.934 1.00 0.00 H new ATOM 0 HA LYS A 86 94.450 -6.165 4.683 1.00 0.00 H new ATOM 0 HB2 LYS A 86 93.757 -5.843 2.415 1.00 0.00 H new ATOM 0 HB3 LYS A 86 95.298 -6.377 1.773 1.00 0.00 H new ATOM 0 HG2 LYS A 86 94.886 -8.684 2.478 1.00 0.00 H new ATOM 0 HG3 LYS A 86 93.480 -8.211 3.410 1.00 0.00 H new ATOM 0 HD2 LYS A 86 92.319 -7.478 1.320 1.00 0.00 H new ATOM 0 HD3 LYS A 86 93.734 -7.896 0.374 1.00 0.00 H new ATOM 0 HE2 LYS A 86 93.178 -10.208 1.953 1.00 0.00 H new ATOM 0 HE3 LYS A 86 91.617 -9.654 1.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 92.659 -11.137 -0.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 92.501 -9.582 -0.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 94.014 -10.119 -0.333 1.00 0.00 H new ATOM 1417 N LEU A 87 97.409 -7.302 4.182 1.00 0.00 N ATOM 1418 CA LEU A 87 98.351 -8.395 4.533 1.00 0.00 C ATOM 1419 C LEU A 87 98.769 -8.244 5.995 1.00 0.00 C ATOM 1420 O LEU A 87 99.908 -8.469 6.356 1.00 0.00 O ATOM 1421 CB LEU A 87 99.577 -8.296 3.623 1.00 0.00 C ATOM 1422 CG LEU A 87 99.121 -8.384 2.167 1.00 0.00 C ATOM 1423 CD1 LEU A 87 99.832 -7.314 1.338 1.00 0.00 C ATOM 1424 CD2 LEU A 87 99.461 -9.765 1.611 1.00 0.00 C ATOM 0 H LEU A 87 97.849 -6.446 3.845 1.00 0.00 H new ATOM 0 HA LEU A 87 97.875 -9.366 4.397 1.00 0.00 H new ATOM 0 HB2 LEU A 87 100.101 -7.356 3.798 1.00 0.00 H new ATOM 0 HB3 LEU A 87 100.279 -9.099 3.847 1.00 0.00 H new ATOM 0 HG LEU A 87 98.044 -8.224 2.116 1.00 0.00 H new ATOM 0 HD11 LEU A 87 99.504 -7.380 0.301 1.00 0.00 H new ATOM 0 HD12 LEU A 87 99.590 -6.327 1.733 1.00 0.00 H new ATOM 0 HD13 LEU A 87 100.909 -7.471 1.389 1.00 0.00 H new ATOM 0 HD21 LEU A 87 99.136 -9.829 0.572 1.00 0.00 H new ATOM 0 HD22 LEU A 87 100.538 -9.924 1.665 1.00 0.00 H new ATOM 0 HD23 LEU A 87 98.952 -10.529 2.198 1.00 0.00 H new ATOM 1436 N CYS A 88 97.851 -7.857 6.840 1.00 0.00 N ATOM 1437 CA CYS A 88 98.183 -7.682 8.282 1.00 0.00 C ATOM 1438 C CYS A 88 97.633 -8.865 9.084 1.00 0.00 C ATOM 1439 O CYS A 88 97.630 -8.854 10.299 1.00 0.00 O ATOM 1440 CB CYS A 88 97.557 -6.383 8.794 1.00 0.00 C ATOM 1441 SG CYS A 88 95.757 -6.563 8.859 1.00 0.00 S ATOM 0 H CYS A 88 96.883 -7.654 6.592 1.00 0.00 H new ATOM 0 HA CYS A 88 99.265 -7.637 8.402 1.00 0.00 H new ATOM 0 HB2 CYS A 88 97.945 -6.146 9.785 1.00 0.00 H new ATOM 0 HB3 CYS A 88 97.827 -5.554 8.139 1.00 0.00 H new ATOM 0 HG CYS A 88 95.446 -7.521 9.681 1.00 0.00 H new ATOM 1447 N THR A 89 97.174 -9.887 8.415 1.00 0.00 N ATOM 1448 CA THR A 89 96.631 -11.071 9.141 1.00 0.00 C ATOM 1449 C THR A 89 97.771 -12.054 9.417 1.00 0.00 C ATOM 1450 O THR A 89 97.554 -13.222 9.674 1.00 0.00 O ATOM 1451 CB THR A 89 95.563 -11.752 8.282 1.00 0.00 C ATOM 1452 OG1 THR A 89 95.851 -11.529 6.908 1.00 0.00 O ATOM 1453 CG2 THR A 89 94.189 -11.169 8.618 1.00 0.00 C ATOM 0 H THR A 89 97.151 -9.954 7.397 1.00 0.00 H new ATOM 0 HA THR A 89 96.185 -10.753 10.083 1.00 0.00 H new ATOM 0 HB THR A 89 95.560 -12.823 8.484 1.00 0.00 H new ATOM 0 HG1 THR A 89 96.702 -11.958 6.678 1.00 0.00 H new ATOM 0 HG21 THR A 89 93.428 -11.654 8.006 1.00 0.00 H new ATOM 0 HG22 THR A 89 93.970 -11.339 9.672 1.00 0.00 H new ATOM 0 HG23 THR A 89 94.189 -10.098 8.415 1.00 0.00 H new ATOM 1461 N PHE A 90 98.984 -11.583 9.363 1.00 0.00 N ATOM 1462 CA PHE A 90 100.155 -12.469 9.614 1.00 0.00 C ATOM 1463 C PHE A 90 101.388 -11.589 9.820 1.00 0.00 C ATOM 1464 O PHE A 90 101.710 -10.759 8.994 1.00 0.00 O ATOM 1465 CB PHE A 90 100.367 -13.381 8.404 1.00 0.00 C ATOM 1466 CG PHE A 90 100.035 -12.618 7.144 1.00 0.00 C ATOM 1467 CD1 PHE A 90 101.023 -11.861 6.508 1.00 0.00 C ATOM 1468 CD2 PHE A 90 98.739 -12.662 6.616 1.00 0.00 C ATOM 1469 CE1 PHE A 90 100.720 -11.149 5.342 1.00 0.00 C ATOM 1470 CE2 PHE A 90 98.434 -11.946 5.451 1.00 0.00 C ATOM 1471 CZ PHE A 90 99.425 -11.190 4.813 1.00 0.00 C ATOM 0 H PHE A 90 99.217 -10.612 9.154 1.00 0.00 H new ATOM 0 HA PHE A 90 99.985 -13.084 10.497 1.00 0.00 H new ATOM 0 HB2 PHE A 90 101.400 -13.728 8.372 1.00 0.00 H new ATOM 0 HB3 PHE A 90 99.735 -14.266 8.485 1.00 0.00 H new ATOM 0 HD1 PHE A 90 102.022 -11.826 6.917 1.00 0.00 H new ATOM 0 HD2 PHE A 90 97.975 -13.247 7.106 1.00 0.00 H new ATOM 0 HE1 PHE A 90 101.486 -10.568 4.850 1.00 0.00 H new ATOM 0 HE2 PHE A 90 97.434 -11.977 5.045 1.00 0.00 H new ATOM 0 HZ PHE A 90 99.190 -10.639 3.914 1.00 0.00 H new ATOM 1481 N SER A 91 102.072 -11.739 10.921 1.00 0.00 N ATOM 1482 CA SER A 91 103.265 -10.883 11.164 1.00 0.00 C ATOM 1483 C SER A 91 102.826 -9.417 11.095 1.00 0.00 C ATOM 1484 O SER A 91 101.679 -9.124 10.822 1.00 0.00 O ATOM 1485 CB SER A 91 104.324 -11.158 10.096 1.00 0.00 C ATOM 1486 OG SER A 91 104.115 -12.454 9.551 1.00 0.00 O ATOM 0 H SER A 91 101.858 -12.412 11.657 1.00 0.00 H new ATOM 0 HA SER A 91 103.692 -11.101 12.143 1.00 0.00 H new ATOM 0 HB2 SER A 91 104.267 -10.406 9.309 1.00 0.00 H new ATOM 0 HB3 SER A 91 105.321 -11.090 10.530 1.00 0.00 H new ATOM 0 HG SER A 91 104.791 -12.633 8.865 1.00 0.00 H new ATOM 1492 N PHE A 92 103.711 -8.491 11.344 1.00 0.00 N ATOM 1493 CA PHE A 92 103.300 -7.058 11.293 1.00 0.00 C ATOM 1494 C PHE A 92 103.501 -6.500 9.882 1.00 0.00 C ATOM 1495 O PHE A 92 104.229 -7.050 9.080 1.00 0.00 O ATOM 1496 CB PHE A 92 104.108 -6.246 12.316 1.00 0.00 C ATOM 1497 CG PHE A 92 105.464 -5.846 11.768 1.00 0.00 C ATOM 1498 CD1 PHE A 92 105.568 -4.887 10.752 1.00 0.00 C ATOM 1499 CD2 PHE A 92 106.627 -6.417 12.298 1.00 0.00 C ATOM 1500 CE1 PHE A 92 106.826 -4.503 10.278 1.00 0.00 C ATOM 1501 CE2 PHE A 92 107.877 -6.031 11.821 1.00 0.00 C ATOM 1502 CZ PHE A 92 107.981 -5.071 10.813 1.00 0.00 C ATOM 0 H PHE A 92 104.689 -8.660 11.578 1.00 0.00 H new ATOM 0 HA PHE A 92 102.242 -6.982 11.544 1.00 0.00 H new ATOM 0 HB2 PHE A 92 103.550 -5.352 12.594 1.00 0.00 H new ATOM 0 HB3 PHE A 92 104.241 -6.834 13.224 1.00 0.00 H new ATOM 0 HD1 PHE A 92 104.676 -4.444 10.335 1.00 0.00 H new ATOM 0 HD2 PHE A 92 106.555 -7.159 13.079 1.00 0.00 H new ATOM 0 HE1 PHE A 92 106.903 -3.764 9.495 1.00 0.00 H new ATOM 0 HE2 PHE A 92 108.770 -6.477 12.233 1.00 0.00 H new ATOM 0 HZ PHE A 92 108.952 -4.770 10.449 1.00 0.00 H new ATOM 1512 N LEU A 93 102.858 -5.403 9.581 1.00 0.00 N ATOM 1513 CA LEU A 93 103.002 -4.791 8.230 1.00 0.00 C ATOM 1514 C LEU A 93 102.878 -3.269 8.351 1.00 0.00 C ATOM 1515 O LEU A 93 101.977 -2.760 8.990 1.00 0.00 O ATOM 1516 CB LEU A 93 101.901 -5.325 7.310 1.00 0.00 C ATOM 1517 CG LEU A 93 101.815 -4.458 6.051 1.00 0.00 C ATOM 1518 CD1 LEU A 93 101.748 -5.354 4.815 1.00 0.00 C ATOM 1519 CD2 LEU A 93 100.557 -3.589 6.117 1.00 0.00 C ATOM 0 H LEU A 93 102.237 -4.903 10.217 1.00 0.00 H new ATOM 0 HA LEU A 93 103.976 -5.045 7.812 1.00 0.00 H new ATOM 0 HB2 LEU A 93 102.111 -6.359 7.037 1.00 0.00 H new ATOM 0 HB3 LEU A 93 100.944 -5.321 7.832 1.00 0.00 H new ATOM 0 HG LEU A 93 102.697 -3.821 5.989 1.00 0.00 H new ATOM 0 HD11 LEU A 93 101.687 -4.735 3.920 1.00 0.00 H new ATOM 0 HD12 LEU A 93 102.643 -5.975 4.767 1.00 0.00 H new ATOM 0 HD13 LEU A 93 100.867 -5.992 4.876 1.00 0.00 H new ATOM 0 HD21 LEU A 93 100.494 -2.971 5.221 1.00 0.00 H new ATOM 0 HD22 LEU A 93 99.676 -4.228 6.179 1.00 0.00 H new ATOM 0 HD23 LEU A 93 100.603 -2.948 6.997 1.00 0.00 H new ATOM 1531 N ILE A 94 103.772 -2.539 7.743 1.00 0.00 N ATOM 1532 CA ILE A 94 103.700 -1.052 7.824 1.00 0.00 C ATOM 1533 C ILE A 94 103.846 -0.457 6.422 1.00 0.00 C ATOM 1534 O ILE A 94 104.919 -0.061 6.015 1.00 0.00 O ATOM 1535 CB ILE A 94 104.829 -0.535 8.720 1.00 0.00 C ATOM 1536 CG1 ILE A 94 104.588 -0.997 10.160 1.00 0.00 C ATOM 1537 CG2 ILE A 94 104.862 0.994 8.677 1.00 0.00 C ATOM 1538 CD1 ILE A 94 105.920 -1.385 10.802 1.00 0.00 C ATOM 0 H ILE A 94 104.549 -2.907 7.194 1.00 0.00 H new ATOM 0 HA ILE A 94 102.739 -0.757 8.245 1.00 0.00 H new ATOM 0 HB ILE A 94 105.781 -0.928 8.363 1.00 0.00 H new ATOM 0 HG12 ILE A 94 104.114 -0.201 10.734 1.00 0.00 H new ATOM 0 HG13 ILE A 94 103.906 -1.847 10.171 1.00 0.00 H new ATOM 0 HG21 ILE A 94 105.666 1.359 9.316 1.00 0.00 H new ATOM 0 HG22 ILE A 94 105.033 1.326 7.653 1.00 0.00 H new ATOM 0 HG23 ILE A 94 103.910 1.389 9.032 1.00 0.00 H new ATOM 0 HD11 ILE A 94 105.748 -1.714 11.827 1.00 0.00 H new ATOM 0 HD12 ILE A 94 106.376 -2.195 10.233 1.00 0.00 H new ATOM 0 HD13 ILE A 94 106.587 -0.523 10.805 1.00 0.00 H new ATOM 1550 N CYS A 95 102.774 -0.391 5.680 1.00 0.00 N ATOM 1551 CA CYS A 95 102.853 0.179 4.305 1.00 0.00 C ATOM 1552 C CYS A 95 102.673 1.698 4.367 1.00 0.00 C ATOM 1553 O CYS A 95 101.843 2.205 5.095 1.00 0.00 O ATOM 1554 CB CYS A 95 101.748 -0.429 3.439 1.00 0.00 C ATOM 1555 SG CYS A 95 102.119 -0.131 1.693 1.00 0.00 S ATOM 0 H CYS A 95 101.847 -0.707 5.966 1.00 0.00 H new ATOM 0 HA CYS A 95 103.826 -0.053 3.872 1.00 0.00 H new ATOM 0 HB2 CYS A 95 101.671 -1.500 3.628 1.00 0.00 H new ATOM 0 HB3 CYS A 95 100.785 0.011 3.698 1.00 0.00 H new ATOM 0 HG CYS A 95 103.151 0.654 1.596 1.00 0.00 H new ATOM 1561 N LYS A 96 103.443 2.429 3.606 1.00 0.00 N ATOM 1562 CA LYS A 96 103.313 3.913 3.621 1.00 0.00 C ATOM 1563 C LYS A 96 103.695 4.472 2.248 1.00 0.00 C ATOM 1564 O LYS A 96 104.556 3.945 1.573 1.00 0.00 O ATOM 1565 CB LYS A 96 104.246 4.494 4.686 1.00 0.00 C ATOM 1566 CG LYS A 96 103.485 4.650 6.004 1.00 0.00 C ATOM 1567 CD LYS A 96 104.440 4.424 7.177 1.00 0.00 C ATOM 1568 CE LYS A 96 104.066 5.358 8.330 1.00 0.00 C ATOM 1569 NZ LYS A 96 103.298 4.597 9.356 1.00 0.00 N ATOM 0 H LYS A 96 104.156 2.062 2.975 1.00 0.00 H new ATOM 0 HA LYS A 96 102.283 4.187 3.851 1.00 0.00 H new ATOM 0 HB2 LYS A 96 105.106 3.840 4.826 1.00 0.00 H new ATOM 0 HB3 LYS A 96 104.630 5.460 4.359 1.00 0.00 H new ATOM 0 HG2 LYS A 96 103.045 5.645 6.066 1.00 0.00 H new ATOM 0 HG3 LYS A 96 102.663 3.935 6.048 1.00 0.00 H new ATOM 0 HD2 LYS A 96 104.390 3.386 7.505 1.00 0.00 H new ATOM 0 HD3 LYS A 96 105.467 4.610 6.864 1.00 0.00 H new ATOM 0 HE2 LYS A 96 104.966 5.783 8.775 1.00 0.00 H new ATOM 0 HE3 LYS A 96 103.470 6.192 7.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 103.043 5.231 10.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 102.432 4.212 8.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 103.882 3.816 9.718 1.00 0.00 H new ATOM 1583 N GLY A 97 103.062 5.535 1.828 1.00 0.00 N ATOM 1584 CA GLY A 97 103.394 6.122 0.498 1.00 0.00 C ATOM 1585 C GLY A 97 104.742 6.842 0.580 1.00 0.00 C ATOM 1586 O GLY A 97 105.385 6.856 1.612 1.00 0.00 O ATOM 0 H GLY A 97 102.331 6.021 2.347 1.00 0.00 H new ATOM 0 HA2 GLY A 97 103.434 5.338 -0.258 1.00 0.00 H new ATOM 0 HA3 GLY A 97 102.615 6.820 0.192 1.00 0.00 H new ATOM 1590 N VAL A 98 105.179 7.439 -0.496 1.00 0.00 N ATOM 1591 CA VAL A 98 106.487 8.154 -0.470 1.00 0.00 C ATOM 1592 C VAL A 98 106.506 9.233 -1.553 1.00 0.00 C ATOM 1593 O VAL A 98 105.844 9.126 -2.565 1.00 0.00 O ATOM 1594 CB VAL A 98 107.615 7.155 -0.727 1.00 0.00 C ATOM 1595 CG1 VAL A 98 108.918 7.908 -0.999 1.00 0.00 C ATOM 1596 CG2 VAL A 98 107.787 6.267 0.504 1.00 0.00 C ATOM 0 H VAL A 98 104.688 7.462 -1.390 1.00 0.00 H new ATOM 0 HA VAL A 98 106.626 8.620 0.505 1.00 0.00 H new ATOM 0 HB VAL A 98 107.368 6.541 -1.593 1.00 0.00 H new ATOM 0 HG11 VAL A 98 109.720 7.193 -1.182 1.00 0.00 H new ATOM 0 HG12 VAL A 98 108.794 8.546 -1.874 1.00 0.00 H new ATOM 0 HG13 VAL A 98 109.170 8.523 -0.135 1.00 0.00 H new ATOM 0 HG21 VAL A 98 108.590 5.552 0.327 1.00 0.00 H new ATOM 0 HG22 VAL A 98 108.035 6.885 1.367 1.00 0.00 H new ATOM 0 HG23 VAL A 98 106.859 5.729 0.697 1.00 0.00 H new ATOM 1606 N ASN A 99 107.267 10.273 -1.345 1.00 0.00 N ATOM 1607 CA ASN A 99 107.336 11.361 -2.359 1.00 0.00 C ATOM 1608 C ASN A 99 108.733 11.380 -2.983 1.00 0.00 C ATOM 1609 O ASN A 99 108.957 11.990 -4.010 1.00 0.00 O ATOM 1610 CB ASN A 99 107.061 12.707 -1.685 1.00 0.00 C ATOM 1611 CG ASN A 99 106.080 12.511 -0.527 1.00 0.00 C ATOM 1612 OD1 ASN A 99 106.396 11.857 0.447 1.00 0.00 O ATOM 1613 ND2 ASN A 99 104.895 13.054 -0.592 1.00 0.00 N ATOM 0 H ASN A 99 107.844 10.415 -0.516 1.00 0.00 H new ATOM 0 HA ASN A 99 106.590 11.186 -3.134 1.00 0.00 H new ATOM 0 HB2 ASN A 99 107.992 13.138 -1.317 1.00 0.00 H new ATOM 0 HB3 ASN A 99 106.649 13.410 -2.409 1.00 0.00 H new ATOM 0 HD21 ASN A 99 104.234 12.929 0.175 1.00 0.00 H new ATOM 0 HD22 ASN A 99 104.630 13.603 -1.410 1.00 0.00 H new ATOM 1620 N LYS A 100 109.676 10.722 -2.365 1.00 0.00 N ATOM 1621 CA LYS A 100 111.059 10.704 -2.917 1.00 0.00 C ATOM 1622 C LYS A 100 111.666 9.308 -2.741 1.00 0.00 C ATOM 1623 O LYS A 100 112.539 9.101 -1.920 1.00 0.00 O ATOM 1624 CB LYS A 100 111.916 11.730 -2.171 1.00 0.00 C ATOM 1625 CG LYS A 100 112.737 12.541 -3.177 1.00 0.00 C ATOM 1626 CD LYS A 100 113.291 13.792 -2.493 1.00 0.00 C ATOM 1627 CE LYS A 100 113.288 14.959 -3.481 1.00 0.00 C ATOM 1628 NZ LYS A 100 114.484 15.816 -3.245 1.00 0.00 N ATOM 0 H LYS A 100 109.547 10.196 -1.501 1.00 0.00 H new ATOM 0 HA LYS A 100 111.029 10.953 -3.978 1.00 0.00 H new ATOM 0 HB2 LYS A 100 111.280 12.394 -1.586 1.00 0.00 H new ATOM 0 HB3 LYS A 100 112.579 11.224 -1.469 1.00 0.00 H new ATOM 0 HG2 LYS A 100 113.554 11.935 -3.568 1.00 0.00 H new ATOM 0 HG3 LYS A 100 112.115 12.823 -4.026 1.00 0.00 H new ATOM 0 HD2 LYS A 100 112.687 14.039 -1.620 1.00 0.00 H new ATOM 0 HD3 LYS A 100 114.304 13.606 -2.137 1.00 0.00 H new ATOM 0 HE2 LYS A 100 113.294 14.583 -4.504 1.00 0.00 H new ATOM 0 HE3 LYS A 100 112.378 15.547 -3.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 114.481 16.609 -3.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 114.460 16.186 -2.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 115.347 15.252 -3.379 1.00 0.00 H new ATOM 1642 N GLU A 101 111.215 8.351 -3.505 1.00 0.00 N ATOM 1643 CA GLU A 101 111.769 6.971 -3.380 1.00 0.00 C ATOM 1644 C GLU A 101 113.295 7.026 -3.470 1.00 0.00 C ATOM 1645 O GLU A 101 113.993 6.572 -2.586 1.00 0.00 O ATOM 1646 CB GLU A 101 111.232 6.095 -4.516 1.00 0.00 C ATOM 1647 CG GLU A 101 110.635 4.814 -3.931 1.00 0.00 C ATOM 1648 CD GLU A 101 110.410 3.796 -5.049 1.00 0.00 C ATOM 1649 OE1 GLU A 101 111.112 3.871 -6.043 1.00 0.00 O ATOM 1650 OE2 GLU A 101 109.537 2.957 -4.892 1.00 0.00 O ATOM 0 H GLU A 101 110.487 8.464 -4.210 1.00 0.00 H new ATOM 0 HA GLU A 101 111.470 6.549 -2.421 1.00 0.00 H new ATOM 0 HB2 GLU A 101 110.474 6.637 -5.081 1.00 0.00 H new ATOM 0 HB3 GLU A 101 112.034 5.851 -5.212 1.00 0.00 H new ATOM 0 HG2 GLU A 101 111.305 4.400 -3.178 1.00 0.00 H new ATOM 0 HG3 GLU A 101 109.692 5.035 -3.432 1.00 0.00 H new ATOM 1657 N TYR A 102 113.815 7.567 -4.540 1.00 0.00 N ATOM 1658 CA TYR A 102 115.296 7.640 -4.697 1.00 0.00 C ATOM 1659 C TYR A 102 115.954 8.008 -3.365 1.00 0.00 C ATOM 1660 O TYR A 102 116.947 7.428 -2.978 1.00 0.00 O ATOM 1661 CB TYR A 102 115.658 8.689 -5.753 1.00 0.00 C ATOM 1662 CG TYR A 102 117.098 8.490 -6.157 1.00 0.00 C ATOM 1663 CD1 TYR A 102 118.127 8.988 -5.348 1.00 0.00 C ATOM 1664 CD2 TYR A 102 117.406 7.791 -7.330 1.00 0.00 C ATOM 1665 CE1 TYR A 102 119.463 8.785 -5.711 1.00 0.00 C ATOM 1666 CE2 TYR A 102 118.741 7.588 -7.692 1.00 0.00 C ATOM 1667 CZ TYR A 102 119.771 8.083 -6.884 1.00 0.00 C ATOM 1668 OH TYR A 102 121.088 7.882 -7.243 1.00 0.00 O ATOM 0 H TYR A 102 113.277 7.961 -5.312 1.00 0.00 H new ATOM 0 HA TYR A 102 115.660 6.663 -5.016 1.00 0.00 H new ATOM 0 HB2 TYR A 102 115.005 8.593 -6.621 1.00 0.00 H new ATOM 0 HB3 TYR A 102 115.512 9.693 -5.354 1.00 0.00 H new ATOM 0 HD1 TYR A 102 117.889 9.529 -4.444 1.00 0.00 H new ATOM 0 HD2 TYR A 102 116.613 7.409 -7.955 1.00 0.00 H new ATOM 0 HE1 TYR A 102 120.257 9.169 -5.087 1.00 0.00 H new ATOM 0 HE2 TYR A 102 118.978 7.048 -8.597 1.00 0.00 H new ATOM 0 HH TYR A 102 121.125 7.377 -8.082 1.00 0.00 H new ATOM 1678 N LEU A 103 115.414 8.960 -2.658 1.00 0.00 N ATOM 1679 CA LEU A 103 116.022 9.341 -1.356 1.00 0.00 C ATOM 1680 C LEU A 103 115.941 8.164 -0.387 1.00 0.00 C ATOM 1681 O LEU A 103 116.905 7.817 0.262 1.00 0.00 O ATOM 1682 CB LEU A 103 115.279 10.534 -0.776 1.00 0.00 C ATOM 1683 CG LEU A 103 116.274 11.672 -0.584 1.00 0.00 C ATOM 1684 CD1 LEU A 103 117.280 11.293 0.500 1.00 0.00 C ATOM 1685 CD2 LEU A 103 117.025 11.912 -1.889 1.00 0.00 C ATOM 0 H LEU A 103 114.583 9.488 -2.924 1.00 0.00 H new ATOM 0 HA LEU A 103 117.068 9.608 -1.510 1.00 0.00 H new ATOM 0 HB2 LEU A 103 114.475 10.842 -1.444 1.00 0.00 H new ATOM 0 HB3 LEU A 103 114.818 10.268 0.175 1.00 0.00 H new ATOM 0 HG LEU A 103 115.737 12.574 -0.291 1.00 0.00 H new ATOM 0 HD11 LEU A 103 117.991 12.107 0.637 1.00 0.00 H new ATOM 0 HD12 LEU A 103 116.754 11.110 1.437 1.00 0.00 H new ATOM 0 HD13 LEU A 103 117.814 10.391 0.201 1.00 0.00 H new ATOM 0 HD21 LEU A 103 117.738 12.726 -1.754 1.00 0.00 H new ATOM 0 HD22 LEU A 103 117.559 11.005 -2.173 1.00 0.00 H new ATOM 0 HD23 LEU A 103 116.316 12.177 -2.673 1.00 0.00 H new ATOM 1697 N MET A 104 114.800 7.546 -0.287 1.00 0.00 N ATOM 1698 CA MET A 104 114.657 6.385 0.637 1.00 0.00 C ATOM 1699 C MET A 104 115.638 5.284 0.225 1.00 0.00 C ATOM 1700 O MET A 104 116.586 4.986 0.923 1.00 0.00 O ATOM 1701 CB MET A 104 113.226 5.849 0.557 1.00 0.00 C ATOM 1702 CG MET A 104 112.735 5.486 1.958 1.00 0.00 C ATOM 1703 SD MET A 104 113.794 4.191 2.651 1.00 0.00 S ATOM 1704 CE MET A 104 112.504 3.303 3.557 1.00 0.00 C ATOM 0 H MET A 104 113.957 7.794 -0.805 1.00 0.00 H new ATOM 0 HA MET A 104 114.872 6.700 1.658 1.00 0.00 H new ATOM 0 HB2 MET A 104 112.570 6.599 0.114 1.00 0.00 H new ATOM 0 HB3 MET A 104 113.191 4.972 -0.090 1.00 0.00 H new ATOM 0 HG2 MET A 104 112.751 6.367 2.600 1.00 0.00 H new ATOM 0 HG3 MET A 104 111.702 5.142 1.915 1.00 0.00 H new ATOM 0 HE1 MET A 104 112.940 2.437 4.056 1.00 0.00 H new ATOM 0 HE2 MET A 104 112.060 3.965 4.300 1.00 0.00 H new ATOM 0 HE3 MET A 104 111.734 2.971 2.861 1.00 0.00 H new ATOM 1714 N TYR A 105 115.409 4.677 -0.907 1.00 0.00 N ATOM 1715 CA TYR A 105 116.313 3.591 -1.384 1.00 0.00 C ATOM 1716 C TYR A 105 117.776 4.000 -1.178 1.00 0.00 C ATOM 1717 O TYR A 105 118.611 3.187 -0.834 1.00 0.00 O ATOM 1718 CB TYR A 105 116.038 3.341 -2.871 1.00 0.00 C ATOM 1719 CG TYR A 105 117.162 2.541 -3.488 1.00 0.00 C ATOM 1720 CD1 TYR A 105 118.365 3.170 -3.825 1.00 0.00 C ATOM 1721 CD2 TYR A 105 116.996 1.172 -3.730 1.00 0.00 C ATOM 1722 CE1 TYR A 105 119.401 2.432 -4.406 1.00 0.00 C ATOM 1723 CE2 TYR A 105 118.032 0.433 -4.308 1.00 0.00 C ATOM 1724 CZ TYR A 105 119.236 1.063 -4.647 1.00 0.00 C ATOM 1725 OH TYR A 105 120.259 0.334 -5.220 1.00 0.00 O ATOM 0 H TYR A 105 114.628 4.888 -1.528 1.00 0.00 H new ATOM 0 HA TYR A 105 116.128 2.678 -0.818 1.00 0.00 H new ATOM 0 HB2 TYR A 105 115.096 2.806 -2.988 1.00 0.00 H new ATOM 0 HB3 TYR A 105 115.931 4.292 -3.392 1.00 0.00 H new ATOM 0 HD1 TYR A 105 118.494 4.226 -3.637 1.00 0.00 H new ATOM 0 HD2 TYR A 105 116.067 0.687 -3.470 1.00 0.00 H new ATOM 0 HE1 TYR A 105 120.329 2.918 -4.669 1.00 0.00 H new ATOM 0 HE2 TYR A 105 117.904 -0.623 -4.493 1.00 0.00 H new ATOM 0 HH TYR A 105 119.980 -0.600 -5.317 1.00 0.00 H new ATOM 1735 N SER A 106 118.094 5.248 -1.378 1.00 0.00 N ATOM 1736 CA SER A 106 119.504 5.693 -1.184 1.00 0.00 C ATOM 1737 C SER A 106 119.899 5.474 0.277 1.00 0.00 C ATOM 1738 O SER A 106 120.906 4.861 0.578 1.00 0.00 O ATOM 1739 CB SER A 106 119.623 7.179 -1.524 1.00 0.00 C ATOM 1740 OG SER A 106 119.870 7.323 -2.916 1.00 0.00 O ATOM 0 H SER A 106 117.442 5.978 -1.666 1.00 0.00 H new ATOM 0 HA SER A 106 120.163 5.120 -1.836 1.00 0.00 H new ATOM 0 HB2 SER A 106 118.707 7.701 -1.249 1.00 0.00 H new ATOM 0 HB3 SER A 106 120.432 7.632 -0.950 1.00 0.00 H new ATOM 0 HG SER A 106 119.036 7.561 -3.373 1.00 0.00 H new ATOM 1746 N ALA A 107 119.103 5.964 1.185 1.00 0.00 N ATOM 1747 CA ALA A 107 119.413 5.782 2.626 1.00 0.00 C ATOM 1748 C ALA A 107 119.387 4.287 2.949 1.00 0.00 C ATOM 1749 O ALA A 107 119.875 3.853 3.973 1.00 0.00 O ATOM 1750 CB ALA A 107 118.362 6.514 3.467 1.00 0.00 C ATOM 0 H ALA A 107 118.248 6.484 0.988 1.00 0.00 H new ATOM 0 HA ALA A 107 120.398 6.189 2.853 1.00 0.00 H new ATOM 0 HB1 ALA A 107 118.587 6.382 4.525 1.00 0.00 H new ATOM 0 HB2 ALA A 107 118.376 7.576 3.223 1.00 0.00 H new ATOM 0 HB3 ALA A 107 117.375 6.105 3.252 1.00 0.00 H new ATOM 1756 N LEU A 108 118.822 3.495 2.075 1.00 0.00 N ATOM 1757 CA LEU A 108 118.765 2.026 2.321 1.00 0.00 C ATOM 1758 C LEU A 108 120.011 1.364 1.729 1.00 0.00 C ATOM 1759 O LEU A 108 120.407 0.289 2.131 1.00 0.00 O ATOM 1760 CB LEU A 108 117.519 1.440 1.654 1.00 0.00 C ATOM 1761 CG LEU A 108 116.315 1.584 2.585 1.00 0.00 C ATOM 1762 CD1 LEU A 108 115.119 0.849 1.979 1.00 0.00 C ATOM 1763 CD2 LEU A 108 116.644 0.975 3.950 1.00 0.00 C ATOM 0 H LEU A 108 118.397 3.804 1.201 1.00 0.00 H new ATOM 0 HA LEU A 108 118.724 1.841 3.394 1.00 0.00 H new ATOM 0 HB2 LEU A 108 117.325 1.953 0.712 1.00 0.00 H new ATOM 0 HB3 LEU A 108 117.683 0.389 1.417 1.00 0.00 H new ATOM 0 HG LEU A 108 116.076 2.640 2.708 1.00 0.00 H new ATOM 0 HD11 LEU A 108 114.258 0.949 2.640 1.00 0.00 H new ATOM 0 HD12 LEU A 108 114.882 1.280 1.006 1.00 0.00 H new ATOM 0 HD13 LEU A 108 115.363 -0.206 1.859 1.00 0.00 H new ATOM 0 HD21 LEU A 108 115.784 1.079 4.612 1.00 0.00 H new ATOM 0 HD22 LEU A 108 116.883 -0.082 3.829 1.00 0.00 H new ATOM 0 HD23 LEU A 108 117.500 1.493 4.383 1.00 0.00 H new ATOM 1775 N THR A 109 120.632 1.995 0.772 1.00 0.00 N ATOM 1776 CA THR A 109 121.849 1.398 0.157 1.00 0.00 C ATOM 1777 C THR A 109 123.049 1.657 1.065 1.00 0.00 C ATOM 1778 O THR A 109 123.992 0.891 1.102 1.00 0.00 O ATOM 1779 CB THR A 109 122.095 2.036 -1.210 1.00 0.00 C ATOM 1780 OG1 THR A 109 122.566 3.364 -1.032 1.00 0.00 O ATOM 1781 CG2 THR A 109 120.789 2.057 -2.003 1.00 0.00 C ATOM 0 H THR A 109 120.349 2.897 0.390 1.00 0.00 H new ATOM 0 HA THR A 109 121.709 0.324 0.034 1.00 0.00 H new ATOM 0 HB THR A 109 122.840 1.457 -1.756 1.00 0.00 H new ATOM 0 HG1 THR A 109 121.899 3.884 -0.537 1.00 0.00 H new ATOM 0 HG21 THR A 109 120.963 2.512 -2.978 1.00 0.00 H new ATOM 0 HG22 THR A 109 120.428 1.037 -2.137 1.00 0.00 H new ATOM 0 HG23 THR A 109 120.043 2.637 -1.460 1.00 0.00 H new ATOM 1789 N ARG A 110 123.020 2.732 1.805 1.00 0.00 N ATOM 1790 CA ARG A 110 124.159 3.037 2.714 1.00 0.00 C ATOM 1791 C ARG A 110 123.959 2.295 4.037 1.00 0.00 C ATOM 1792 O ARG A 110 122.919 2.386 4.659 1.00 0.00 O ATOM 1793 CB ARG A 110 124.220 4.544 2.973 1.00 0.00 C ATOM 1794 CG ARG A 110 125.633 5.055 2.676 1.00 0.00 C ATOM 1795 CD ARG A 110 125.579 6.080 1.541 1.00 0.00 C ATOM 1796 NE ARG A 110 125.690 7.454 2.107 1.00 0.00 N ATOM 1797 CZ ARG A 110 124.708 7.954 2.807 1.00 0.00 C ATOM 1798 NH1 ARG A 110 123.622 8.360 2.210 1.00 0.00 N ATOM 1799 NH2 ARG A 110 124.812 8.045 4.105 1.00 0.00 N ATOM 0 H ARG A 110 122.258 3.410 1.819 1.00 0.00 H new ATOM 0 HA ARG A 110 125.092 2.715 2.252 1.00 0.00 H new ATOM 0 HB2 ARG A 110 123.495 5.062 2.345 1.00 0.00 H new ATOM 0 HB3 ARG A 110 123.955 4.757 4.008 1.00 0.00 H new ATOM 0 HG2 ARG A 110 126.062 5.509 3.569 1.00 0.00 H new ATOM 0 HG3 ARG A 110 126.281 4.223 2.398 1.00 0.00 H new ATOM 0 HD2 ARG A 110 126.389 5.899 0.835 1.00 0.00 H new ATOM 0 HD3 ARG A 110 124.645 5.977 0.988 1.00 0.00 H new ATOM 0 HE ARG A 110 126.534 8.004 1.947 1.00 0.00 H new ATOM 0 HH11 ARG A 110 123.540 8.287 1.196 1.00 0.00 H new ATOM 0 HH12 ARG A 110 122.855 8.751 2.757 1.00 0.00 H new ATOM 0 HH21 ARG A 110 125.660 7.725 4.572 1.00 0.00 H new ATOM 0 HH22 ARG A 110 124.045 8.436 4.652 1.00 0.00 H new ATOM 1813 N ASP A 111 124.948 1.559 4.466 1.00 0.00 N ATOM 1814 CA ASP A 111 124.826 0.805 5.747 1.00 0.00 C ATOM 1815 C ASP A 111 124.138 1.683 6.796 1.00 0.00 C ATOM 1816 O ASP A 111 124.159 2.894 6.695 1.00 0.00 O ATOM 1817 CB ASP A 111 126.224 0.420 6.240 1.00 0.00 C ATOM 1818 CG ASP A 111 126.950 1.670 6.741 1.00 0.00 C ATOM 1819 OD1 ASP A 111 127.410 2.437 5.911 1.00 0.00 O ATOM 1820 OD2 ASP A 111 127.033 1.839 7.946 1.00 0.00 O ATOM 0 H ASP A 111 125.839 1.447 3.982 1.00 0.00 H new ATOM 0 HA ASP A 111 124.233 -0.095 5.586 1.00 0.00 H new ATOM 0 HB2 ASP A 111 126.149 -0.316 7.041 1.00 0.00 H new ATOM 0 HB3 ASP A 111 126.791 -0.044 5.433 1.00 0.00 H new ATOM 1825 N PRO A 112 123.551 1.045 7.777 1.00 0.00 N ATOM 1826 CA PRO A 112 123.530 -0.426 7.892 1.00 0.00 C ATOM 1827 C PRO A 112 122.449 -1.027 6.987 1.00 0.00 C ATOM 1828 O PRO A 112 122.125 -2.194 7.090 1.00 0.00 O ATOM 1829 CB PRO A 112 123.188 -0.662 9.365 1.00 0.00 C ATOM 1830 CG PRO A 112 122.480 0.623 9.861 1.00 0.00 C ATOM 1831 CD PRO A 112 122.856 1.745 8.875 1.00 0.00 C ATOM 0 HA PRO A 112 124.470 -0.889 7.590 1.00 0.00 H new ATOM 0 HB2 PRO A 112 122.540 -1.531 9.479 1.00 0.00 H new ATOM 0 HB3 PRO A 112 124.089 -0.858 9.946 1.00 0.00 H new ATOM 0 HG2 PRO A 112 121.400 0.482 9.893 1.00 0.00 H new ATOM 0 HG3 PRO A 112 122.798 0.874 10.873 1.00 0.00 H new ATOM 0 HD2 PRO A 112 121.972 2.271 8.515 1.00 0.00 H new ATOM 0 HD3 PRO A 112 123.501 2.488 9.344 1.00 0.00 H new ATOM 1839 N PHE A 113 121.886 -0.247 6.106 1.00 0.00 N ATOM 1840 CA PHE A 113 120.828 -0.789 5.207 1.00 0.00 C ATOM 1841 C PHE A 113 121.477 -1.552 4.052 1.00 0.00 C ATOM 1842 O PHE A 113 122.096 -0.971 3.182 1.00 0.00 O ATOM 1843 CB PHE A 113 119.991 0.362 4.648 1.00 0.00 C ATOM 1844 CG PHE A 113 119.248 1.046 5.769 1.00 0.00 C ATOM 1845 CD1 PHE A 113 118.150 0.417 6.368 1.00 0.00 C ATOM 1846 CD2 PHE A 113 119.657 2.310 6.211 1.00 0.00 C ATOM 1847 CE1 PHE A 113 117.462 1.052 7.408 1.00 0.00 C ATOM 1848 CE2 PHE A 113 118.969 2.944 7.250 1.00 0.00 C ATOM 1849 CZ PHE A 113 117.871 2.315 7.850 1.00 0.00 C ATOM 0 H PHE A 113 122.111 0.738 5.970 1.00 0.00 H new ATOM 0 HA PHE A 113 120.186 -1.464 5.773 1.00 0.00 H new ATOM 0 HB2 PHE A 113 120.635 1.077 4.137 1.00 0.00 H new ATOM 0 HB3 PHE A 113 119.285 -0.016 3.909 1.00 0.00 H new ATOM 0 HD1 PHE A 113 117.834 -0.558 6.028 1.00 0.00 H new ATOM 0 HD2 PHE A 113 120.504 2.795 5.749 1.00 0.00 H new ATOM 0 HE1 PHE A 113 116.615 0.567 7.870 1.00 0.00 H new ATOM 0 HE2 PHE A 113 119.284 3.919 7.590 1.00 0.00 H new ATOM 0 HZ PHE A 113 117.340 2.804 8.653 1.00 0.00 H new ATOM 1859 N SER A 114 121.341 -2.849 4.034 1.00 0.00 N ATOM 1860 CA SER A 114 121.948 -3.648 2.931 1.00 0.00 C ATOM 1861 C SER A 114 120.941 -3.780 1.789 1.00 0.00 C ATOM 1862 O SER A 114 119.834 -3.289 1.868 1.00 0.00 O ATOM 1863 CB SER A 114 122.321 -5.037 3.449 1.00 0.00 C ATOM 1864 OG SER A 114 122.256 -5.042 4.870 1.00 0.00 O ATOM 0 H SER A 114 120.836 -3.391 4.735 1.00 0.00 H new ATOM 0 HA SER A 114 122.846 -3.147 2.569 1.00 0.00 H new ATOM 0 HB2 SER A 114 121.642 -5.785 3.040 1.00 0.00 H new ATOM 0 HB3 SER A 114 123.325 -5.303 3.118 1.00 0.00 H new ATOM 0 HG SER A 114 122.493 -5.932 5.205 1.00 0.00 H new ATOM 1870 N VAL A 115 121.315 -4.439 0.728 1.00 0.00 N ATOM 1871 CA VAL A 115 120.376 -4.597 -0.417 1.00 0.00 C ATOM 1872 C VAL A 115 120.190 -6.086 -0.725 1.00 0.00 C ATOM 1873 O VAL A 115 121.139 -6.800 -0.981 1.00 0.00 O ATOM 1874 CB VAL A 115 120.951 -3.888 -1.644 1.00 0.00 C ATOM 1875 CG1 VAL A 115 120.020 -4.094 -2.838 1.00 0.00 C ATOM 1876 CG2 VAL A 115 121.080 -2.391 -1.353 1.00 0.00 C ATOM 0 H VAL A 115 122.229 -4.874 0.604 1.00 0.00 H new ATOM 0 HA VAL A 115 119.411 -4.159 -0.161 1.00 0.00 H new ATOM 0 HB VAL A 115 121.933 -4.302 -1.874 1.00 0.00 H new ATOM 0 HG11 VAL A 115 120.431 -3.588 -3.712 1.00 0.00 H new ATOM 0 HG12 VAL A 115 119.926 -5.160 -3.047 1.00 0.00 H new ATOM 0 HG13 VAL A 115 119.038 -3.681 -2.609 1.00 0.00 H new ATOM 0 HG21 VAL A 115 121.490 -1.884 -2.227 1.00 0.00 H new ATOM 0 HG22 VAL A 115 120.097 -1.979 -1.122 1.00 0.00 H new ATOM 0 HG23 VAL A 115 121.745 -2.242 -0.502 1.00 0.00 H new ATOM 1886 N ILE A 116 118.973 -6.560 -0.701 1.00 0.00 N ATOM 1887 CA ILE A 116 118.730 -8.002 -0.993 1.00 0.00 C ATOM 1888 C ILE A 116 118.540 -8.196 -2.496 1.00 0.00 C ATOM 1889 O ILE A 116 119.370 -8.779 -3.167 1.00 0.00 O ATOM 1890 CB ILE A 116 117.470 -8.469 -0.263 1.00 0.00 C ATOM 1891 CG1 ILE A 116 117.509 -7.984 1.186 1.00 0.00 C ATOM 1892 CG2 ILE A 116 117.405 -9.996 -0.286 1.00 0.00 C ATOM 1893 CD1 ILE A 116 116.299 -8.535 1.941 1.00 0.00 C ATOM 0 H ILE A 116 118.138 -6.012 -0.492 1.00 0.00 H new ATOM 0 HA ILE A 116 119.586 -8.585 -0.654 1.00 0.00 H new ATOM 0 HB ILE A 116 116.591 -8.059 -0.760 1.00 0.00 H new ATOM 0 HG12 ILE A 116 118.431 -8.312 1.666 1.00 0.00 H new ATOM 0 HG13 ILE A 116 117.505 -6.894 1.216 1.00 0.00 H new ATOM 0 HG21 ILE A 116 116.507 -10.330 0.234 1.00 0.00 H new ATOM 0 HG22 ILE A 116 117.376 -10.343 -1.319 1.00 0.00 H new ATOM 0 HG23 ILE A 116 118.285 -10.405 0.210 1.00 0.00 H new ATOM 0 HD11 ILE A 116 116.327 -8.189 2.974 1.00 0.00 H new ATOM 0 HD12 ILE A 116 115.383 -8.185 1.465 1.00 0.00 H new ATOM 0 HD13 ILE A 116 116.324 -9.625 1.922 1.00 0.00 H new ATOM 1905 N GLU A 117 117.454 -7.714 -3.031 1.00 0.00 N ATOM 1906 CA GLU A 117 117.211 -7.872 -4.492 1.00 0.00 C ATOM 1907 C GLU A 117 116.470 -6.643 -5.017 1.00 0.00 C ATOM 1908 O GLU A 117 116.210 -5.709 -4.286 1.00 0.00 O ATOM 1909 CB GLU A 117 116.366 -9.123 -4.737 1.00 0.00 C ATOM 1910 CG GLU A 117 117.149 -10.107 -5.609 1.00 0.00 C ATOM 1911 CD GLU A 117 116.408 -11.445 -5.661 1.00 0.00 C ATOM 1912 OE1 GLU A 117 115.263 -11.482 -5.242 1.00 0.00 O ATOM 1913 OE2 GLU A 117 116.998 -12.410 -6.120 1.00 0.00 O ATOM 0 H GLU A 117 116.724 -7.217 -2.520 1.00 0.00 H new ATOM 0 HA GLU A 117 118.164 -7.973 -5.012 1.00 0.00 H new ATOM 0 HB2 GLU A 117 116.106 -9.590 -3.787 1.00 0.00 H new ATOM 0 HB3 GLU A 117 115.430 -8.852 -5.226 1.00 0.00 H new ATOM 0 HG2 GLU A 117 117.266 -9.704 -6.615 1.00 0.00 H new ATOM 0 HG3 GLU A 117 118.151 -10.250 -5.205 1.00 0.00 H new ATOM 1920 N GLU A 118 116.128 -6.631 -6.277 1.00 0.00 N ATOM 1921 CA GLU A 118 115.407 -5.454 -6.834 1.00 0.00 C ATOM 1922 C GLU A 118 115.047 -5.709 -8.300 1.00 0.00 C ATOM 1923 O GLU A 118 115.390 -6.727 -8.867 1.00 0.00 O ATOM 1924 CB GLU A 118 116.306 -4.222 -6.733 1.00 0.00 C ATOM 1925 CG GLU A 118 117.560 -4.432 -7.581 1.00 0.00 C ATOM 1926 CD GLU A 118 118.565 -3.314 -7.295 1.00 0.00 C ATOM 1927 OE1 GLU A 118 118.311 -2.532 -6.393 1.00 0.00 O ATOM 1928 OE2 GLU A 118 119.571 -3.260 -7.982 1.00 0.00 O ATOM 0 H GLU A 118 116.316 -7.382 -6.941 1.00 0.00 H new ATOM 0 HA GLU A 118 114.490 -5.288 -6.268 1.00 0.00 H new ATOM 0 HB2 GLU A 118 115.768 -3.338 -7.074 1.00 0.00 H new ATOM 0 HB3 GLU A 118 116.583 -4.045 -5.694 1.00 0.00 H new ATOM 0 HG2 GLU A 118 118.005 -5.401 -7.357 1.00 0.00 H new ATOM 0 HG3 GLU A 118 117.299 -4.438 -8.639 1.00 0.00 H new ATOM 1935 N SER A 119 114.347 -4.793 -8.917 1.00 0.00 N ATOM 1936 CA SER A 119 113.955 -4.985 -10.343 1.00 0.00 C ATOM 1937 C SER A 119 114.751 -4.034 -11.242 1.00 0.00 C ATOM 1938 O SER A 119 114.936 -4.289 -12.416 1.00 0.00 O ATOM 1939 CB SER A 119 112.462 -4.697 -10.500 1.00 0.00 C ATOM 1940 OG SER A 119 111.847 -5.772 -11.199 1.00 0.00 O ATOM 0 H SER A 119 114.030 -3.920 -8.494 1.00 0.00 H new ATOM 0 HA SER A 119 114.168 -6.013 -10.635 1.00 0.00 H new ATOM 0 HB2 SER A 119 111.999 -4.572 -9.521 1.00 0.00 H new ATOM 0 HB3 SER A 119 112.315 -3.763 -11.043 1.00 0.00 H new ATOM 0 HG SER A 119 110.889 -5.591 -11.300 1.00 0.00 H new ATOM 1946 N LEU A 120 115.225 -2.939 -10.710 1.00 0.00 N ATOM 1947 CA LEU A 120 116.006 -1.985 -11.551 1.00 0.00 C ATOM 1948 C LEU A 120 117.438 -2.503 -11.703 1.00 0.00 C ATOM 1949 O LEU A 120 117.937 -3.201 -10.842 1.00 0.00 O ATOM 1950 CB LEU A 120 116.039 -0.608 -10.879 1.00 0.00 C ATOM 1951 CG LEU A 120 114.877 0.250 -11.386 1.00 0.00 C ATOM 1952 CD1 LEU A 120 114.796 1.541 -10.565 1.00 0.00 C ATOM 1953 CD2 LEU A 120 115.109 0.600 -12.857 1.00 0.00 C ATOM 0 H LEU A 120 115.106 -2.665 -9.735 1.00 0.00 H new ATOM 0 HA LEU A 120 115.535 -1.899 -12.530 1.00 0.00 H new ATOM 0 HB2 LEU A 120 115.974 -0.721 -9.797 1.00 0.00 H new ATOM 0 HB3 LEU A 120 116.987 -0.113 -11.091 1.00 0.00 H new ATOM 0 HG LEU A 120 113.945 -0.305 -11.283 1.00 0.00 H new ATOM 0 HD11 LEU A 120 113.968 2.151 -10.927 1.00 0.00 H new ATOM 0 HD12 LEU A 120 114.634 1.295 -9.516 1.00 0.00 H new ATOM 0 HD13 LEU A 120 115.728 2.097 -10.668 1.00 0.00 H new ATOM 0 HD21 LEU A 120 114.283 1.211 -13.220 1.00 0.00 H new ATOM 0 HD22 LEU A 120 116.042 1.155 -12.956 1.00 0.00 H new ATOM 0 HD23 LEU A 120 115.168 -0.316 -13.444 1.00 0.00 H new ATOM 1965 N PRO A 121 118.061 -2.138 -12.794 1.00 0.00 N ATOM 1966 CA PRO A 121 119.445 -2.541 -13.086 1.00 0.00 C ATOM 1967 C PRO A 121 120.411 -1.702 -12.249 1.00 0.00 C ATOM 1968 O PRO A 121 121.014 -0.763 -12.728 1.00 0.00 O ATOM 1969 CB PRO A 121 119.601 -2.244 -14.581 1.00 0.00 C ATOM 1970 CG PRO A 121 118.524 -1.187 -14.927 1.00 0.00 C ATOM 1971 CD PRO A 121 117.446 -1.285 -13.831 1.00 0.00 C ATOM 0 HA PRO A 121 119.658 -3.584 -12.850 1.00 0.00 H new ATOM 0 HB2 PRO A 121 120.600 -1.868 -14.801 1.00 0.00 H new ATOM 0 HB3 PRO A 121 119.463 -3.148 -15.174 1.00 0.00 H new ATOM 0 HG2 PRO A 121 118.957 -0.187 -14.957 1.00 0.00 H new ATOM 0 HG3 PRO A 121 118.095 -1.378 -15.911 1.00 0.00 H new ATOM 0 HD2 PRO A 121 117.188 -0.302 -13.437 1.00 0.00 H new ATOM 0 HD3 PRO A 121 116.526 -1.726 -14.215 1.00 0.00 H new ATOM 1979 N GLY A 122 120.544 -2.027 -10.993 1.00 0.00 N ATOM 1980 CA GLY A 122 121.449 -1.244 -10.107 1.00 0.00 C ATOM 1981 C GLY A 122 120.602 -0.379 -9.171 1.00 0.00 C ATOM 1982 O GLY A 122 121.116 0.398 -8.391 1.00 0.00 O ATOM 0 H GLY A 122 120.063 -2.804 -10.541 1.00 0.00 H new ATOM 0 HA2 GLY A 122 122.083 -1.916 -9.528 1.00 0.00 H new ATOM 0 HA3 GLY A 122 122.111 -0.616 -10.704 1.00 0.00 H new ATOM 1986 N GLY A 123 119.303 -0.511 -9.244 1.00 0.00 N ATOM 1987 CA GLY A 123 118.417 0.297 -8.363 1.00 0.00 C ATOM 1988 C GLY A 123 118.023 1.589 -9.078 1.00 0.00 C ATOM 1989 O GLY A 123 118.287 1.769 -10.250 1.00 0.00 O ATOM 0 H GLY A 123 118.819 -1.146 -9.879 1.00 0.00 H new ATOM 0 HA2 GLY A 123 117.525 -0.274 -8.105 1.00 0.00 H new ATOM 0 HA3 GLY A 123 118.929 0.528 -7.429 1.00 0.00 H new ATOM 1993 N LEU A 124 117.386 2.486 -8.380 1.00 0.00 N ATOM 1994 CA LEU A 124 116.964 3.767 -9.008 1.00 0.00 C ATOM 1995 C LEU A 124 118.148 4.406 -9.750 1.00 0.00 C ATOM 1996 O LEU A 124 119.231 3.856 -9.796 1.00 0.00 O ATOM 1997 CB LEU A 124 116.469 4.708 -7.923 1.00 0.00 C ATOM 1998 CG LEU A 124 114.993 5.031 -8.162 1.00 0.00 C ATOM 1999 CD1 LEU A 124 114.125 3.833 -7.776 1.00 0.00 C ATOM 2000 CD2 LEU A 124 114.595 6.223 -7.303 1.00 0.00 C ATOM 0 H LEU A 124 117.138 2.386 -7.396 1.00 0.00 H new ATOM 0 HA LEU A 124 116.165 3.576 -9.725 1.00 0.00 H new ATOM 0 HB2 LEU A 124 116.598 4.249 -6.943 1.00 0.00 H new ATOM 0 HB3 LEU A 124 117.058 5.625 -7.926 1.00 0.00 H new ATOM 0 HG LEU A 124 114.846 5.261 -9.217 1.00 0.00 H new ATOM 0 HD11 LEU A 124 113.076 4.073 -7.950 1.00 0.00 H new ATOM 0 HD12 LEU A 124 114.405 2.971 -8.381 1.00 0.00 H new ATOM 0 HD13 LEU A 124 114.274 3.600 -6.722 1.00 0.00 H new ATOM 0 HD21 LEU A 124 113.544 6.457 -7.470 1.00 0.00 H new ATOM 0 HD22 LEU A 124 114.750 5.982 -6.251 1.00 0.00 H new ATOM 0 HD23 LEU A 124 115.206 7.085 -7.572 1.00 0.00 H new ATOM 2012 N LYS A 125 117.949 5.563 -10.333 1.00 0.00 N ATOM 2013 CA LYS A 125 119.062 6.233 -11.074 1.00 0.00 C ATOM 2014 C LYS A 125 119.042 7.738 -10.789 1.00 0.00 C ATOM 2015 O LYS A 125 118.173 8.228 -10.098 1.00 0.00 O ATOM 2016 CB LYS A 125 118.892 6.004 -12.578 1.00 0.00 C ATOM 2017 CG LYS A 125 118.658 4.517 -12.848 1.00 0.00 C ATOM 2018 CD LYS A 125 117.217 4.308 -13.313 1.00 0.00 C ATOM 2019 CE LYS A 125 116.256 4.867 -12.263 1.00 0.00 C ATOM 2020 NZ LYS A 125 114.853 4.649 -12.712 1.00 0.00 N ATOM 0 H LYS A 125 117.065 6.072 -10.328 1.00 0.00 H new ATOM 0 HA LYS A 125 120.012 5.812 -10.745 1.00 0.00 H new ATOM 0 HB2 LYS A 125 118.051 6.588 -12.952 1.00 0.00 H new ATOM 0 HB3 LYS A 125 119.780 6.345 -13.111 1.00 0.00 H new ATOM 0 HG2 LYS A 125 119.353 4.160 -13.608 1.00 0.00 H new ATOM 0 HG3 LYS A 125 118.848 3.937 -11.945 1.00 0.00 H new ATOM 0 HD2 LYS A 125 117.057 4.805 -14.270 1.00 0.00 H new ATOM 0 HD3 LYS A 125 117.024 3.247 -13.469 1.00 0.00 H new ATOM 0 HE2 LYS A 125 116.423 4.377 -11.304 1.00 0.00 H new ATOM 0 HE3 LYS A 125 116.441 5.931 -12.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 114.245 4.486 -11.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 114.519 5.489 -13.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 114.814 3.820 -13.339 1.00 0.00 H new ATOM 2034 N GLU A 126 120.003 8.463 -11.316 1.00 0.00 N ATOM 2035 CA GLU A 126 120.079 9.943 -11.088 1.00 0.00 C ATOM 2036 C GLU A 126 118.682 10.526 -10.850 1.00 0.00 C ATOM 2037 O GLU A 126 118.302 10.806 -9.731 1.00 0.00 O ATOM 2038 CB GLU A 126 120.701 10.612 -12.314 1.00 0.00 C ATOM 2039 CG GLU A 126 122.204 10.325 -12.346 1.00 0.00 C ATOM 2040 CD GLU A 126 122.702 10.366 -13.793 1.00 0.00 C ATOM 2041 OE1 GLU A 126 122.269 11.242 -14.522 1.00 0.00 O ATOM 2042 OE2 GLU A 126 123.508 9.520 -14.145 1.00 0.00 O ATOM 0 H GLU A 126 120.748 8.086 -11.902 1.00 0.00 H new ATOM 0 HA GLU A 126 120.692 10.130 -10.206 1.00 0.00 H new ATOM 0 HB2 GLU A 126 120.230 10.239 -13.223 1.00 0.00 H new ATOM 0 HB3 GLU A 126 120.526 11.687 -12.282 1.00 0.00 H new ATOM 0 HG2 GLU A 126 122.738 11.061 -11.746 1.00 0.00 H new ATOM 0 HG3 GLU A 126 122.408 9.348 -11.908 1.00 0.00 H new ATOM 2049 N HIS A 127 117.913 10.703 -11.887 1.00 0.00 N ATOM 2050 CA HIS A 127 116.542 11.257 -11.708 1.00 0.00 C ATOM 2051 C HIS A 127 115.748 10.338 -10.777 1.00 0.00 C ATOM 2052 O HIS A 127 116.309 9.625 -9.970 1.00 0.00 O ATOM 2053 CB HIS A 127 115.844 11.339 -13.068 1.00 0.00 C ATOM 2054 CG HIS A 127 115.501 9.953 -13.546 1.00 0.00 C ATOM 2055 ND1 HIS A 127 116.292 8.851 -13.258 1.00 0.00 N ATOM 2056 CD2 HIS A 127 114.453 9.476 -14.293 1.00 0.00 C ATOM 2057 CE1 HIS A 127 115.714 7.777 -13.824 1.00 0.00 C ATOM 2058 NE2 HIS A 127 114.590 8.101 -14.468 1.00 0.00 N ATOM 0 H HIS A 127 118.174 10.489 -12.850 1.00 0.00 H new ATOM 0 HA HIS A 127 116.601 12.255 -11.273 1.00 0.00 H new ATOM 0 HB2 HIS A 127 114.939 11.941 -12.987 1.00 0.00 H new ATOM 0 HB3 HIS A 127 116.492 11.834 -13.791 1.00 0.00 H new ATOM 0 HD2 HIS A 127 113.645 10.076 -14.685 1.00 0.00 H new ATOM 0 HE1 HIS A 127 116.111 6.774 -13.765 1.00 0.00 H new ATOM 0 HE2 HIS A 127 113.966 7.476 -14.978 1.00 0.00 H new ATOM 2066 N ASP A 128 114.449 10.334 -10.887 1.00 0.00 N ATOM 2067 CA ASP A 128 113.640 9.439 -10.008 1.00 0.00 C ATOM 2068 C ASP A 128 113.501 8.076 -10.687 1.00 0.00 C ATOM 2069 O ASP A 128 114.382 7.244 -10.611 1.00 0.00 O ATOM 2070 CB ASP A 128 112.248 10.035 -9.750 1.00 0.00 C ATOM 2071 CG ASP A 128 111.813 10.906 -10.932 1.00 0.00 C ATOM 2072 OD1 ASP A 128 112.309 12.016 -11.037 1.00 0.00 O ATOM 2073 OD2 ASP A 128 110.989 10.452 -11.708 1.00 0.00 O ATOM 0 H ASP A 128 113.914 10.906 -11.541 1.00 0.00 H new ATOM 0 HA ASP A 128 114.145 9.332 -9.048 1.00 0.00 H new ATOM 0 HB2 ASP A 128 111.525 9.234 -9.595 1.00 0.00 H new ATOM 0 HB3 ASP A 128 112.264 10.631 -8.837 1.00 0.00 H new ATOM 2078 N PHE A 129 112.406 7.837 -11.355 1.00 0.00 N ATOM 2079 CA PHE A 129 112.228 6.525 -12.037 1.00 0.00 C ATOM 2080 C PHE A 129 111.571 6.751 -13.400 1.00 0.00 C ATOM 2081 O PHE A 129 111.241 7.864 -13.763 1.00 0.00 O ATOM 2082 CB PHE A 129 111.346 5.601 -11.187 1.00 0.00 C ATOM 2083 CG PHE A 129 111.025 6.249 -9.856 1.00 0.00 C ATOM 2084 CD1 PHE A 129 112.005 6.339 -8.857 1.00 0.00 C ATOM 2085 CD2 PHE A 129 109.739 6.751 -9.620 1.00 0.00 C ATOM 2086 CE1 PHE A 129 111.696 6.930 -7.629 1.00 0.00 C ATOM 2087 CE2 PHE A 129 109.434 7.343 -8.392 1.00 0.00 C ATOM 2088 CZ PHE A 129 110.412 7.431 -7.395 1.00 0.00 C ATOM 0 H PHE A 129 111.630 8.491 -11.458 1.00 0.00 H new ATOM 0 HA PHE A 129 113.203 6.055 -12.170 1.00 0.00 H new ATOM 0 HB2 PHE A 129 110.423 5.378 -11.721 1.00 0.00 H new ATOM 0 HB3 PHE A 129 111.856 4.652 -11.022 1.00 0.00 H new ATOM 0 HD1 PHE A 129 112.997 5.952 -9.036 1.00 0.00 H new ATOM 0 HD2 PHE A 129 108.983 6.680 -10.388 1.00 0.00 H new ATOM 0 HE1 PHE A 129 112.450 7.000 -6.859 1.00 0.00 H new ATOM 0 HE2 PHE A 129 108.443 7.733 -8.212 1.00 0.00 H new ATOM 0 HZ PHE A 129 110.175 7.886 -6.445 1.00 0.00 H new ATOM 2098 N ASN A 130 111.381 5.709 -14.161 1.00 0.00 N ATOM 2099 CA ASN A 130 110.750 5.872 -15.501 1.00 0.00 C ATOM 2100 C ASN A 130 109.750 4.732 -15.738 1.00 0.00 C ATOM 2101 O ASN A 130 110.146 3.610 -15.982 1.00 0.00 O ATOM 2102 CB ASN A 130 111.834 5.823 -16.580 1.00 0.00 C ATOM 2103 CG ASN A 130 111.714 7.053 -17.482 1.00 0.00 C ATOM 2104 OD1 ASN A 130 111.257 6.957 -18.603 1.00 0.00 O ATOM 2105 ND2 ASN A 130 112.108 8.215 -17.036 1.00 0.00 N ATOM 0 H ASN A 130 111.635 4.753 -13.913 1.00 0.00 H new ATOM 0 HA ASN A 130 110.230 6.829 -15.544 1.00 0.00 H new ATOM 0 HB2 ASN A 130 112.821 5.793 -16.118 1.00 0.00 H new ATOM 0 HB3 ASN A 130 111.732 4.914 -17.172 1.00 0.00 H new ATOM 0 HD21 ASN A 130 112.032 9.041 -17.629 1.00 0.00 H new ATOM 0 HD22 ASN A 130 112.492 8.296 -16.095 1.00 0.00 H new ATOM 2112 N PRO A 131 108.481 5.053 -15.660 1.00 0.00 N ATOM 2113 CA PRO A 131 107.404 4.069 -15.865 1.00 0.00 C ATOM 2114 C PRO A 131 107.228 3.772 -17.358 1.00 0.00 C ATOM 2115 O PRO A 131 106.604 4.521 -18.080 1.00 0.00 O ATOM 2116 CB PRO A 131 106.166 4.763 -15.292 1.00 0.00 C ATOM 2117 CG PRO A 131 106.470 6.280 -15.313 1.00 0.00 C ATOM 2118 CD PRO A 131 108.003 6.420 -15.366 1.00 0.00 C ATOM 0 HA PRO A 131 107.603 3.109 -15.388 1.00 0.00 H new ATOM 0 HB2 PRO A 131 105.282 4.535 -15.888 1.00 0.00 H new ATOM 0 HB3 PRO A 131 105.963 4.421 -14.277 1.00 0.00 H new ATOM 0 HG2 PRO A 131 106.007 6.756 -16.177 1.00 0.00 H new ATOM 0 HG3 PRO A 131 106.067 6.768 -14.426 1.00 0.00 H new ATOM 0 HD2 PRO A 131 108.312 7.125 -16.138 1.00 0.00 H new ATOM 0 HD3 PRO A 131 108.402 6.787 -14.421 1.00 0.00 H new ATOM 2126 N GLU A 132 107.777 2.682 -17.822 1.00 0.00 N ATOM 2127 CA GLU A 132 107.646 2.335 -19.265 1.00 0.00 C ATOM 2128 C GLU A 132 106.238 1.801 -19.537 1.00 0.00 C ATOM 2129 O GLU A 132 105.387 1.795 -18.670 1.00 0.00 O ATOM 2130 CB GLU A 132 108.676 1.261 -19.625 1.00 0.00 C ATOM 2131 CG GLU A 132 109.261 1.555 -21.007 1.00 0.00 C ATOM 2132 CD GLU A 132 110.788 1.552 -20.926 1.00 0.00 C ATOM 2133 OE1 GLU A 132 111.312 2.120 -19.981 1.00 0.00 O ATOM 2134 OE2 GLU A 132 111.408 0.984 -21.810 1.00 0.00 O ATOM 0 H GLU A 132 108.311 2.017 -17.263 1.00 0.00 H new ATOM 0 HA GLU A 132 107.820 3.225 -19.870 1.00 0.00 H new ATOM 0 HB2 GLU A 132 109.471 1.240 -18.879 1.00 0.00 H new ATOM 0 HB3 GLU A 132 108.208 0.277 -19.619 1.00 0.00 H new ATOM 0 HG2 GLU A 132 108.923 0.806 -21.723 1.00 0.00 H new ATOM 0 HG3 GLU A 132 108.907 2.522 -21.365 1.00 0.00 H new ATOM 2141 N SER A 133 105.987 1.351 -20.736 1.00 0.00 N ATOM 2142 CA SER A 133 104.635 0.818 -21.064 1.00 0.00 C ATOM 2143 C SER A 133 104.721 -0.046 -22.324 1.00 0.00 C ATOM 2144 O SER A 133 105.079 0.422 -23.386 1.00 0.00 O ATOM 2145 CB SER A 133 103.673 1.982 -21.308 1.00 0.00 C ATOM 2146 OG SER A 133 102.681 1.992 -20.291 1.00 0.00 O ATOM 0 H SER A 133 106.660 1.330 -21.502 1.00 0.00 H new ATOM 0 HA SER A 133 104.270 0.214 -20.233 1.00 0.00 H new ATOM 0 HB2 SER A 133 104.219 2.926 -21.309 1.00 0.00 H new ATOM 0 HB3 SER A 133 103.205 1.883 -22.287 1.00 0.00 H new ATOM 0 HG SER A 133 102.064 2.738 -20.443 1.00 0.00 H new ATOM 2152 N SER A 134 104.397 -1.305 -22.212 1.00 0.00 N ATOM 2153 CA SER A 134 104.460 -2.199 -23.403 1.00 0.00 C ATOM 2154 C SER A 134 103.041 -2.561 -23.843 1.00 0.00 C ATOM 2155 O SER A 134 102.463 -1.797 -24.600 1.00 0.00 O ATOM 2156 CB SER A 134 105.222 -3.476 -23.043 1.00 0.00 C ATOM 2157 OG SER A 134 105.608 -3.422 -21.676 1.00 0.00 O ATOM 2158 OXT SER A 134 102.555 -3.596 -23.418 1.00 0.00 O ATOM 0 H SER A 134 104.092 -1.753 -21.348 1.00 0.00 H new ATOM 0 HA SER A 134 104.974 -1.686 -24.216 1.00 0.00 H new ATOM 0 HB2 SER A 134 104.596 -4.350 -23.222 1.00 0.00 H new ATOM 0 HB3 SER A 134 106.102 -3.579 -23.678 1.00 0.00 H new ATOM 0 HG SER A 134 106.095 -4.239 -21.441 1.00 0.00 H new TER 2164 SER A 134