USER MOD reduce.3.24.130724 H: found=0, std=0, add=1092, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1091 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 96 SER OG : rot 89:sc= -0.473 USER MOD Set 1.2: A 97 HIS :FLIP no HD1:sc= -0.844 F(o=-1.9,f=-1.3) USER MOD Set 2.1: A 19 ASN : amide:sc= 0.118 K(o=0.12,f=-1.1) USER MOD Set 2.2: A 90 TYR OH : rot -30:sc= 0 USER MOD Set 3.1: A 7 SER OG : rot 130:sc= 0 USER MOD Set 3.2: A 65 CYS SG : rot 177:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -166:sc= 0 (180deg=-0.0572) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 HIS : no HD1:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 11 TYR OH : rot -166:sc= 1.13 USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 TYR OH : rot 180:sc= -0.0891 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 HIS :FLIP no HD1:sc= -0.634 F(o=-1.4,f=-0.63) USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.519 USER MOD Single : A 25 HIS : no HD1:sc= -0.419 X(o=-0.42,f=0.06) USER MOD Single : A 29 GLN : amide:sc= -0.673 K(o=-0.67,f=-4.4!) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 CYS SG : rot 41:sc= -1.76 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -2.71 K(o=-2.7,f=-10!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 12:sc= 0.375! USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.024 USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=-0.047) USER MOD Single : A 50 CYS SG : rot 33:sc= 0.274 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -0.169 X(o=-0.17,f=-0.15) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 6:sc= 0.547! USER MOD Single : A 63 TYR OH : rot -79:sc= 0.57 USER MOD Single : A 67 SER OG : rot -13:sc= 1.02 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0.0355 USER MOD Single : A 70 LYS NZ :NH3+ -179:sc= -1.4 (180deg=-1.4) USER MOD Single : A 71 HIS :FLIP no HD1:sc= -2.47 F(o=-4.6,f=-2.5) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= -5.1 K(o=-5.1,f=-16!) USER MOD Single : A 102 THR OG1 : rot 180:sc= -0.0126 USER MOD Single : A 105 SER OG : rot 180:sc= -0.0442 USER MOD Single : A 118 HIS : no HE2:sc= -1.26 K(o=-1.3,f=-1.9) USER MOD Single : A 125 THR OG1 : rot -60:sc= -3.57! USER MOD Single : A 126 MET CE :methyl -149:sc= -5.5! (180deg=-8.41!) USER MOD Single : A 148 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 150 GLN : amide:sc= 0 X(o=0,f=-0.032) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.487 -5.060 18.170 1.00 0.00 N ATOM 2 CA GLY A 1 5.967 -3.693 17.826 1.00 0.00 C ATOM 3 C GLY A 1 6.494 -2.943 19.035 1.00 0.00 C ATOM 4 O GLY A 1 5.763 -2.170 19.653 1.00 0.00 O ATOM 0 H1 GLY A 1 5.361 -5.613 17.298 1.00 0.00 H new ATOM 0 H2 GLY A 1 6.186 -5.530 18.781 1.00 0.00 H new ATOM 0 H3 GLY A 1 4.578 -4.993 18.671 1.00 0.00 H new ATOM 0 HA2 GLY A 1 6.754 -3.766 17.076 1.00 0.00 H new ATOM 0 HA3 GLY A 1 5.151 -3.126 17.378 1.00 0.00 H new ATOM 10 N PRO A 2 7.771 -3.152 19.400 1.00 0.00 N ATOM 11 CA PRO A 2 8.385 -2.481 20.550 1.00 0.00 C ATOM 12 C PRO A 2 8.212 -0.967 20.500 1.00 0.00 C ATOM 13 O PRO A 2 9.040 -0.257 19.927 1.00 0.00 O ATOM 14 CB PRO A 2 9.864 -2.855 20.434 1.00 0.00 C ATOM 15 CG PRO A 2 9.872 -4.137 19.676 1.00 0.00 C ATOM 16 CD PRO A 2 8.715 -4.058 18.718 1.00 0.00 C ATOM 0 HA PRO A 2 7.927 -2.787 21.491 1.00 0.00 H new ATOM 0 HB2 PRO A 2 10.428 -2.082 19.911 1.00 0.00 H new ATOM 0 HB3 PRO A 2 10.321 -2.973 21.417 1.00 0.00 H new ATOM 0 HG2 PRO A 2 10.813 -4.269 19.142 1.00 0.00 H new ATOM 0 HG3 PRO A 2 9.765 -4.989 20.348 1.00 0.00 H new ATOM 0 HD2 PRO A 2 9.021 -3.664 17.749 1.00 0.00 H new ATOM 0 HD3 PRO A 2 8.273 -5.038 18.539 1.00 0.00 H new ATOM 24 N TYR A 3 7.134 -0.478 21.103 1.00 0.00 N ATOM 25 CA TYR A 3 6.853 0.952 21.129 1.00 0.00 C ATOM 26 C TYR A 3 6.686 1.501 19.715 1.00 0.00 C ATOM 27 O TYR A 3 6.885 0.786 18.733 1.00 0.00 O ATOM 28 CB TYR A 3 7.976 1.700 21.854 1.00 0.00 C ATOM 29 CG TYR A 3 7.521 2.395 23.117 1.00 0.00 C ATOM 30 CD1 TYR A 3 6.806 1.710 24.091 1.00 0.00 C ATOM 31 CD2 TYR A 3 7.808 3.737 23.335 1.00 0.00 C ATOM 32 CE1 TYR A 3 6.389 2.343 25.247 1.00 0.00 C ATOM 33 CE2 TYR A 3 7.394 4.377 24.489 1.00 0.00 C ATOM 34 CZ TYR A 3 6.685 3.674 25.441 1.00 0.00 C ATOM 35 OH TYR A 3 6.272 4.307 26.591 1.00 0.00 O ATOM 0 H TYR A 3 6.440 -1.052 21.581 1.00 0.00 H new ATOM 0 HA TYR A 3 5.918 1.104 21.668 1.00 0.00 H new ATOM 0 HB2 TYR A 3 8.770 0.995 22.102 1.00 0.00 H new ATOM 0 HB3 TYR A 3 8.406 2.438 21.177 1.00 0.00 H new ATOM 0 HD1 TYR A 3 6.572 0.666 23.943 1.00 0.00 H new ATOM 0 HD2 TYR A 3 8.363 4.289 22.591 1.00 0.00 H new ATOM 0 HE1 TYR A 3 5.834 1.796 25.995 1.00 0.00 H new ATOM 0 HE2 TYR A 3 7.624 5.421 24.644 1.00 0.00 H new ATOM 0 HH TYR A 3 6.563 5.243 26.572 1.00 0.00 H new ATOM 45 N GLY A 4 6.321 2.775 19.620 1.00 0.00 N ATOM 46 CA GLY A 4 6.133 3.399 18.324 1.00 0.00 C ATOM 47 C GLY A 4 4.876 2.921 17.626 1.00 0.00 C ATOM 48 O GLY A 4 3.882 2.599 18.277 1.00 0.00 O ATOM 0 H GLY A 4 6.152 3.387 20.418 1.00 0.00 H new ATOM 0 HA2 GLY A 4 6.086 4.481 18.449 1.00 0.00 H new ATOM 0 HA3 GLY A 4 6.997 3.188 17.694 1.00 0.00 H new ATOM 52 N HIS A 5 4.918 2.875 16.299 1.00 0.00 N ATOM 53 CA HIS A 5 3.772 2.432 15.514 1.00 0.00 C ATOM 54 C HIS A 5 4.226 1.696 14.257 1.00 0.00 C ATOM 55 O HIS A 5 5.052 2.198 13.495 1.00 0.00 O ATOM 56 CB HIS A 5 2.897 3.627 15.130 1.00 0.00 C ATOM 57 CG HIS A 5 1.436 3.309 15.090 1.00 0.00 C ATOM 58 ND1 HIS A 5 0.934 2.135 14.568 1.00 0.00 N ATOM 59 CD2 HIS A 5 0.362 4.018 15.515 1.00 0.00 C ATOM 60 CE1 HIS A 5 -0.383 2.136 14.671 1.00 0.00 C ATOM 61 NE2 HIS A 5 -0.754 3.266 15.243 1.00 0.00 N ATOM 0 H HIS A 5 5.733 3.139 15.745 1.00 0.00 H new ATOM 0 HA HIS A 5 3.188 1.745 16.126 1.00 0.00 H new ATOM 0 HB2 HIS A 5 3.066 4.434 15.843 1.00 0.00 H new ATOM 0 HB3 HIS A 5 3.207 3.995 14.152 1.00 0.00 H new ATOM 0 HD2 HIS A 5 0.381 4.992 15.981 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -1.043 1.347 14.343 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -1.715 3.537 15.450 1.00 0.00 H new ATOM 70 N GLN A 6 3.679 0.503 14.047 1.00 0.00 N ATOM 71 CA GLN A 6 4.028 -0.303 12.883 1.00 0.00 C ATOM 72 C GLN A 6 3.375 0.258 11.621 1.00 0.00 C ATOM 73 O GLN A 6 2.453 -0.339 11.066 1.00 0.00 O ATOM 74 CB GLN A 6 3.606 -1.760 13.099 1.00 0.00 C ATOM 75 CG GLN A 6 4.777 -2.726 13.167 1.00 0.00 C ATOM 76 CD GLN A 6 4.460 -3.970 13.973 1.00 0.00 C ATOM 77 OE1 GLN A 6 3.336 -4.471 13.949 1.00 0.00 O ATOM 78 NE2 GLN A 6 5.454 -4.477 14.694 1.00 0.00 N ATOM 0 H GLN A 6 2.993 0.073 14.667 1.00 0.00 H new ATOM 0 HA GLN A 6 5.110 -0.267 12.753 1.00 0.00 H new ATOM 0 HB2 GLN A 6 3.033 -1.831 14.023 1.00 0.00 H new ATOM 0 HB3 GLN A 6 2.943 -2.062 12.288 1.00 0.00 H new ATOM 0 HG2 GLN A 6 5.063 -3.016 12.156 1.00 0.00 H new ATOM 0 HG3 GLN A 6 5.635 -2.220 13.609 1.00 0.00 H new ATOM 0 HE21 GLN A 6 6.371 -4.029 14.685 1.00 0.00 H new ATOM 0 HE22 GLN A 6 5.301 -5.314 15.257 1.00 0.00 H new ATOM 87 N SER A 7 3.862 1.412 11.174 1.00 0.00 N ATOM 88 CA SER A 7 3.328 2.056 9.980 1.00 0.00 C ATOM 89 C SER A 7 4.372 2.095 8.869 1.00 0.00 C ATOM 90 O SER A 7 5.390 2.779 8.983 1.00 0.00 O ATOM 91 CB SER A 7 2.859 3.475 10.306 1.00 0.00 C ATOM 92 OG SER A 7 1.819 3.462 11.267 1.00 0.00 O ATOM 0 H SER A 7 4.625 1.920 11.621 1.00 0.00 H new ATOM 0 HA SER A 7 2.477 1.471 9.633 1.00 0.00 H new ATOM 0 HB2 SER A 7 3.698 4.061 10.682 1.00 0.00 H new ATOM 0 HB3 SER A 7 2.511 3.964 9.396 1.00 0.00 H new ATOM 0 HG SER A 7 2.032 4.090 11.989 1.00 0.00 H new ATOM 98 N GLY A 8 4.113 1.357 7.795 1.00 0.00 N ATOM 99 CA GLY A 8 5.039 1.320 6.679 1.00 0.00 C ATOM 100 C GLY A 8 4.730 0.194 5.711 1.00 0.00 C ATOM 101 O GLY A 8 4.612 0.418 4.505 1.00 0.00 O ATOM 0 H GLY A 8 3.278 0.784 7.678 1.00 0.00 H new ATOM 0 HA2 GLY A 8 5.004 2.272 6.149 1.00 0.00 H new ATOM 0 HA3 GLY A 8 6.055 1.203 7.056 1.00 0.00 H new ATOM 105 N ALA A 9 4.598 -1.017 6.239 1.00 0.00 N ATOM 106 CA ALA A 9 4.299 -2.183 5.418 1.00 0.00 C ATOM 107 C ALA A 9 3.097 -2.944 5.969 1.00 0.00 C ATOM 108 O ALA A 9 2.697 -2.742 7.116 1.00 0.00 O ATOM 109 CB ALA A 9 5.512 -3.097 5.337 1.00 0.00 C ATOM 0 H ALA A 9 4.694 -1.217 7.235 1.00 0.00 H new ATOM 0 HA ALA A 9 4.051 -1.838 4.414 1.00 0.00 H new ATOM 0 HB1 ALA A 9 5.274 -3.964 4.721 1.00 0.00 H new ATOM 0 HB2 ALA A 9 6.347 -2.555 4.894 1.00 0.00 H new ATOM 0 HB3 ALA A 9 5.785 -3.428 6.339 1.00 0.00 H new ATOM 115 N VAL A 10 2.524 -3.817 5.147 1.00 0.00 N ATOM 116 CA VAL A 10 1.369 -4.603 5.558 1.00 0.00 C ATOM 117 C VAL A 10 1.604 -6.090 5.314 1.00 0.00 C ATOM 118 O VAL A 10 1.598 -6.551 4.173 1.00 0.00 O ATOM 119 CB VAL A 10 0.093 -4.160 4.813 1.00 0.00 C ATOM 120 CG1 VAL A 10 0.259 -4.334 3.311 1.00 0.00 C ATOM 121 CG2 VAL A 10 -1.120 -4.928 5.317 1.00 0.00 C ATOM 0 H VAL A 10 2.841 -3.997 4.194 1.00 0.00 H new ATOM 0 HA VAL A 10 1.231 -4.432 6.626 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.070 -3.101 5.015 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.652 -4.016 2.805 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.097 -3.728 2.965 1.00 0.00 H new ATOM 0 HG13 VAL A 10 0.452 -5.383 3.085 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -2.008 -4.599 4.778 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -0.969 -5.995 5.152 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -1.252 -4.741 6.383 1.00 0.00 H new ATOM 131 N TYR A 11 1.813 -6.839 6.393 1.00 0.00 N ATOM 132 CA TYR A 11 2.051 -8.273 6.288 1.00 0.00 C ATOM 133 C TYR A 11 0.814 -9.063 6.703 1.00 0.00 C ATOM 134 O TYR A 11 0.235 -8.821 7.763 1.00 0.00 O ATOM 135 CB TYR A 11 3.265 -8.679 7.134 1.00 0.00 C ATOM 136 CG TYR A 11 2.963 -8.886 8.602 1.00 0.00 C ATOM 137 CD1 TYR A 11 2.667 -7.812 9.431 1.00 0.00 C ATOM 138 CD2 TYR A 11 2.978 -10.159 9.157 1.00 0.00 C ATOM 139 CE1 TYR A 11 2.393 -8.001 10.772 1.00 0.00 C ATOM 140 CE2 TYR A 11 2.706 -10.356 10.497 1.00 0.00 C ATOM 141 CZ TYR A 11 2.414 -9.275 11.300 1.00 0.00 C ATOM 142 OH TYR A 11 2.142 -9.467 12.635 1.00 0.00 O ATOM 0 H TYR A 11 1.822 -6.477 7.347 1.00 0.00 H new ATOM 0 HA TYR A 11 2.264 -8.508 5.245 1.00 0.00 H new ATOM 0 HB2 TYR A 11 3.683 -9.600 6.728 1.00 0.00 H new ATOM 0 HB3 TYR A 11 4.032 -7.911 7.038 1.00 0.00 H new ATOM 0 HD1 TYR A 11 2.651 -6.813 9.021 1.00 0.00 H new ATOM 0 HD2 TYR A 11 3.206 -11.009 8.531 1.00 0.00 H new ATOM 0 HE1 TYR A 11 2.164 -7.155 11.404 1.00 0.00 H new ATOM 0 HE2 TYR A 11 2.722 -11.352 10.913 1.00 0.00 H new ATOM 0 HH TYR A 11 2.411 -10.372 12.897 1.00 0.00 H new ATOM 152 N VAL A 12 0.407 -10.000 5.853 1.00 0.00 N ATOM 153 CA VAL A 12 -0.769 -10.818 6.118 1.00 0.00 C ATOM 154 C VAL A 12 -0.420 -12.302 6.199 1.00 0.00 C ATOM 155 O VAL A 12 0.294 -12.830 5.347 1.00 0.00 O ATOM 156 CB VAL A 12 -1.837 -10.605 5.031 1.00 0.00 C ATOM 157 CG1 VAL A 12 -3.122 -11.338 5.378 1.00 0.00 C ATOM 158 CG2 VAL A 12 -2.097 -9.122 4.834 1.00 0.00 C ATOM 0 H VAL A 12 0.876 -10.211 4.972 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.164 -10.503 7.084 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.462 -11.019 4.095 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -3.860 -11.171 4.593 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.920 -12.406 5.464 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -3.509 -10.964 6.326 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -2.854 -8.985 4.062 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -2.449 -8.687 5.769 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.174 -8.628 4.529 1.00 0.00 H new ATOM 168 N GLY A 13 -0.935 -12.968 7.230 1.00 0.00 N ATOM 169 CA GLY A 13 -0.678 -14.388 7.410 1.00 0.00 C ATOM 170 C GLY A 13 0.793 -14.739 7.317 1.00 0.00 C ATOM 171 O GLY A 13 1.628 -14.133 7.988 1.00 0.00 O ATOM 0 H GLY A 13 -1.528 -12.548 7.946 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -1.060 -14.701 8.382 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -1.229 -14.950 6.656 1.00 0.00 H new ATOM 175 N ASN A 14 1.112 -15.722 6.478 1.00 0.00 N ATOM 176 CA ASN A 14 2.493 -16.154 6.295 1.00 0.00 C ATOM 177 C ASN A 14 3.163 -15.392 5.152 1.00 0.00 C ATOM 178 O ASN A 14 4.200 -15.811 4.642 1.00 0.00 O ATOM 179 CB ASN A 14 2.546 -17.657 6.019 1.00 0.00 C ATOM 180 CG ASN A 14 2.021 -18.478 7.181 1.00 0.00 C ATOM 181 OD1 ASN A 14 0.975 -19.117 7.082 1.00 0.00 O ATOM 182 ND2 ASN A 14 2.749 -18.462 8.292 1.00 0.00 N ATOM 0 H ASN A 14 0.432 -16.233 5.915 1.00 0.00 H new ATOM 0 HA ASN A 14 3.036 -15.938 7.215 1.00 0.00 H new ATOM 0 HB2 ASN A 14 1.961 -17.880 5.127 1.00 0.00 H new ATOM 0 HB3 ASN A 14 3.575 -17.949 5.807 1.00 0.00 H new ATOM 0 HD21 ASN A 14 2.446 -18.994 9.108 1.00 0.00 H new ATOM 0 HD22 ASN A 14 3.611 -17.917 8.329 1.00 0.00 H new ATOM 189 N TYR A 15 2.564 -14.269 4.761 1.00 0.00 N ATOM 190 CA TYR A 15 3.101 -13.444 3.686 1.00 0.00 C ATOM 191 C TYR A 15 3.187 -11.988 4.131 1.00 0.00 C ATOM 192 O TYR A 15 2.370 -11.526 4.927 1.00 0.00 O ATOM 193 CB TYR A 15 2.209 -13.535 2.446 1.00 0.00 C ATOM 194 CG TYR A 15 2.348 -14.828 1.677 1.00 0.00 C ATOM 195 CD1 TYR A 15 3.578 -15.460 1.544 1.00 0.00 C ATOM 196 CD2 TYR A 15 1.241 -15.418 1.088 1.00 0.00 C ATOM 197 CE1 TYR A 15 3.697 -16.642 0.843 1.00 0.00 C ATOM 198 CE2 TYR A 15 1.351 -16.603 0.387 1.00 0.00 C ATOM 199 CZ TYR A 15 2.582 -17.210 0.267 1.00 0.00 C ATOM 200 OH TYR A 15 2.698 -18.390 -0.431 1.00 0.00 O ATOM 0 H TYR A 15 1.704 -13.910 5.175 1.00 0.00 H new ATOM 0 HA TYR A 15 4.098 -13.811 3.442 1.00 0.00 H new ATOM 0 HB2 TYR A 15 1.169 -13.416 2.751 1.00 0.00 H new ATOM 0 HB3 TYR A 15 2.443 -12.703 1.782 1.00 0.00 H new ATOM 0 HD1 TYR A 15 4.454 -15.019 1.996 1.00 0.00 H new ATOM 0 HD2 TYR A 15 0.275 -14.943 1.179 1.00 0.00 H new ATOM 0 HE1 TYR A 15 4.660 -17.120 0.746 1.00 0.00 H new ATOM 0 HE2 TYR A 15 0.478 -17.051 -0.064 1.00 0.00 H new ATOM 0 HH TYR A 15 1.819 -18.656 -0.773 1.00 0.00 H new ATOM 210 N LYS A 16 4.171 -11.268 3.612 1.00 0.00 N ATOM 211 CA LYS A 16 4.345 -9.863 3.956 1.00 0.00 C ATOM 212 C LYS A 16 4.548 -9.023 2.702 1.00 0.00 C ATOM 213 O LYS A 16 5.552 -9.173 2.005 1.00 0.00 O ATOM 214 CB LYS A 16 5.538 -9.693 4.901 1.00 0.00 C ATOM 215 CG LYS A 16 5.847 -8.244 5.242 1.00 0.00 C ATOM 216 CD LYS A 16 6.592 -8.128 6.562 1.00 0.00 C ATOM 217 CE LYS A 16 7.117 -6.718 6.783 1.00 0.00 C ATOM 218 NZ LYS A 16 8.293 -6.699 7.697 1.00 0.00 N ATOM 0 H LYS A 16 4.860 -11.631 2.953 1.00 0.00 H new ATOM 0 HA LYS A 16 3.442 -9.519 4.460 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.340 -10.240 5.823 1.00 0.00 H new ATOM 0 HB3 LYS A 16 6.419 -10.145 4.445 1.00 0.00 H new ATOM 0 HG2 LYS A 16 6.445 -7.801 4.445 1.00 0.00 H new ATOM 0 HG3 LYS A 16 4.918 -7.676 5.296 1.00 0.00 H new ATOM 0 HD2 LYS A 16 5.928 -8.403 7.381 1.00 0.00 H new ATOM 0 HD3 LYS A 16 7.423 -8.833 6.575 1.00 0.00 H new ATOM 0 HE2 LYS A 16 7.395 -6.280 5.824 1.00 0.00 H new ATOM 0 HE3 LYS A 16 6.324 -6.097 7.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 8.620 -5.720 7.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 8.021 -7.093 8.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 9.060 -7.271 7.288 1.00 0.00 H new ATOM 232 N VAL A 17 3.599 -8.132 2.413 1.00 0.00 N ATOM 233 CA VAL A 17 3.714 -7.281 1.235 1.00 0.00 C ATOM 234 C VAL A 17 4.170 -5.876 1.625 1.00 0.00 C ATOM 235 O VAL A 17 3.521 -5.191 2.418 1.00 0.00 O ATOM 236 CB VAL A 17 2.389 -7.221 0.416 1.00 0.00 C ATOM 237 CG1 VAL A 17 1.469 -8.381 0.772 1.00 0.00 C ATOM 238 CG2 VAL A 17 1.655 -5.898 0.600 1.00 0.00 C ATOM 0 H VAL A 17 2.757 -7.984 2.969 1.00 0.00 H new ATOM 0 HA VAL A 17 4.470 -7.730 0.590 1.00 0.00 H new ATOM 0 HB VAL A 17 2.670 -7.302 -0.634 1.00 0.00 H new ATOM 0 HG11 VAL A 17 0.553 -8.312 0.185 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.971 -9.324 0.553 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.224 -8.338 1.833 1.00 0.00 H new ATOM 0 HG21 VAL A 17 0.739 -5.905 0.010 1.00 0.00 H new ATOM 0 HG22 VAL A 17 1.407 -5.763 1.653 1.00 0.00 H new ATOM 0 HG23 VAL A 17 2.293 -5.079 0.269 1.00 0.00 H new ATOM 248 N VAL A 18 5.299 -5.462 1.060 1.00 0.00 N ATOM 249 CA VAL A 18 5.862 -4.147 1.338 1.00 0.00 C ATOM 250 C VAL A 18 6.361 -3.472 0.061 1.00 0.00 C ATOM 251 O VAL A 18 6.601 -4.135 -0.951 1.00 0.00 O ATOM 252 CB VAL A 18 7.016 -4.235 2.356 1.00 0.00 C ATOM 253 CG1 VAL A 18 8.189 -5.009 1.777 1.00 0.00 C ATOM 254 CG2 VAL A 18 7.451 -2.846 2.797 1.00 0.00 C ATOM 0 H VAL A 18 5.844 -6.022 0.404 1.00 0.00 H new ATOM 0 HA VAL A 18 5.060 -3.544 1.764 1.00 0.00 H new ATOM 0 HB VAL A 18 6.655 -4.773 3.233 1.00 0.00 H new ATOM 0 HG11 VAL A 18 8.991 -5.058 2.513 1.00 0.00 H new ATOM 0 HG12 VAL A 18 7.868 -6.019 1.522 1.00 0.00 H new ATOM 0 HG13 VAL A 18 8.550 -4.506 0.880 1.00 0.00 H new ATOM 0 HG21 VAL A 18 8.266 -2.931 3.515 1.00 0.00 H new ATOM 0 HG22 VAL A 18 7.789 -2.278 1.930 1.00 0.00 H new ATOM 0 HG23 VAL A 18 6.610 -2.332 3.262 1.00 0.00 H new ATOM 264 N ASN A 19 6.535 -2.155 0.122 1.00 0.00 N ATOM 265 CA ASN A 19 7.030 -1.392 -1.019 1.00 0.00 C ATOM 266 C ASN A 19 8.421 -1.883 -1.417 1.00 0.00 C ATOM 267 O ASN A 19 9.236 -2.222 -0.559 1.00 0.00 O ATOM 268 CB ASN A 19 7.075 0.100 -0.685 1.00 0.00 C ATOM 269 CG ASN A 19 5.816 0.827 -1.115 1.00 0.00 C ATOM 270 OD1 ASN A 19 4.759 0.217 -1.280 1.00 0.00 O ATOM 271 ND2 ASN A 19 5.923 2.138 -1.298 1.00 0.00 N ATOM 0 H ASN A 19 6.340 -1.593 0.951 1.00 0.00 H new ATOM 0 HA ASN A 19 6.349 -1.541 -1.857 1.00 0.00 H new ATOM 0 HB2 ASN A 19 7.215 0.225 0.389 1.00 0.00 H new ATOM 0 HB3 ASN A 19 7.938 0.553 -1.174 1.00 0.00 H new ATOM 0 HD21 ASN A 19 5.109 2.681 -1.587 1.00 0.00 H new ATOM 0 HD22 ASN A 19 6.819 2.602 -1.150 1.00 0.00 H new ATOM 278 N ARG A 20 8.684 -1.932 -2.720 1.00 0.00 N ATOM 279 CA ARG A 20 9.977 -2.398 -3.218 1.00 0.00 C ATOM 280 C ARG A 20 11.127 -1.587 -2.625 1.00 0.00 C ATOM 281 O ARG A 20 12.118 -2.147 -2.159 1.00 0.00 O ATOM 282 CB ARG A 20 10.015 -2.321 -4.748 1.00 0.00 C ATOM 283 CG ARG A 20 10.140 -0.906 -5.294 1.00 0.00 C ATOM 284 CD ARG A 20 10.183 -0.898 -6.814 1.00 0.00 C ATOM 285 NE ARG A 20 11.522 -1.188 -7.324 1.00 0.00 N ATOM 286 CZ ARG A 20 12.553 -0.351 -7.219 1.00 0.00 C ATOM 287 NH1 ARG A 20 12.403 0.826 -6.625 1.00 0.00 N ATOM 288 NH2 ARG A 20 13.736 -0.694 -7.709 1.00 0.00 N ATOM 0 H ARG A 20 8.024 -1.657 -3.447 1.00 0.00 H new ATOM 0 HA ARG A 20 10.100 -3.436 -2.907 1.00 0.00 H new ATOM 0 HB2 ARG A 20 10.854 -2.915 -5.111 1.00 0.00 H new ATOM 0 HB3 ARG A 20 9.108 -2.774 -5.147 1.00 0.00 H new ATOM 0 HG2 ARG A 20 9.298 -0.306 -4.949 1.00 0.00 H new ATOM 0 HG3 ARG A 20 11.044 -0.441 -4.901 1.00 0.00 H new ATOM 0 HD2 ARG A 20 9.480 -1.636 -7.201 1.00 0.00 H new ATOM 0 HD3 ARG A 20 9.858 0.075 -7.181 1.00 0.00 H new ATOM 0 HE ARG A 20 11.676 -2.084 -7.787 1.00 0.00 H new ATOM 0 HH11 ARG A 20 11.495 1.094 -6.246 1.00 0.00 H new ATOM 0 HH12 ARG A 20 13.196 1.463 -6.547 1.00 0.00 H new ATOM 0 HH21 ARG A 20 13.856 -1.598 -8.166 1.00 0.00 H new ATOM 0 HH22 ARG A 20 14.526 -0.054 -7.629 1.00 0.00 H new ATOM 302 N HIS A 21 10.988 -0.269 -2.638 1.00 0.00 N ATOM 303 CA HIS A 21 12.023 0.606 -2.097 1.00 0.00 C ATOM 304 C HIS A 21 12.106 0.494 -0.575 1.00 0.00 C ATOM 305 O HIS A 21 12.995 1.078 0.045 1.00 0.00 O ATOM 306 CB HIS A 21 11.754 2.056 -2.499 1.00 0.00 C ATOM 307 CG HIS A 21 12.999 2.875 -2.647 1.00 0.00 C ATOM 308 ND1 HIS A 21 13.681 3.623 -1.747 1.00 0.00 N flip ATOM 309 CD2 HIS A 21 13.689 2.987 -3.836 1.00 0.00 C flip ATOM 310 CE1 HIS A 21 14.758 4.167 -2.402 1.00 0.00 C flip ATOM 311 NE2 HIS A 21 14.741 3.767 -3.661 1.00 0.00 N flip ATOM 0 H HIS A 21 10.174 0.218 -3.014 1.00 0.00 H new ATOM 0 HA HIS A 21 12.979 0.289 -2.514 1.00 0.00 H new ATOM 0 HB2 HIS A 21 11.206 2.068 -3.441 1.00 0.00 H new ATOM 0 HB3 HIS A 21 11.111 2.519 -1.751 1.00 0.00 H new ATOM 0 HD2 HIS A 21 13.412 2.511 -4.765 1.00 0.00 H new ATOM 0 HE1 HIS A 21 15.499 4.817 -1.960 1.00 0.00 H new ATOM 0 HE2 HIS A 21 15.424 4.018 -4.376 1.00 0.00 H new ATOM 320 N LEU A 22 11.175 -0.246 0.027 1.00 0.00 N ATOM 321 CA LEU A 22 11.157 -0.408 1.475 1.00 0.00 C ATOM 322 C LEU A 22 11.415 -1.856 1.900 1.00 0.00 C ATOM 323 O LEU A 22 11.454 -2.148 3.095 1.00 0.00 O ATOM 324 CB LEU A 22 9.816 0.064 2.039 1.00 0.00 C ATOM 325 CG LEU A 22 9.905 0.842 3.353 1.00 0.00 C ATOM 326 CD1 LEU A 22 10.209 2.308 3.087 1.00 0.00 C ATOM 327 CD2 LEU A 22 8.612 0.700 4.143 1.00 0.00 C ATOM 0 H LEU A 22 10.429 -0.739 -0.464 1.00 0.00 H new ATOM 0 HA LEU A 22 11.965 0.203 1.878 1.00 0.00 H new ATOM 0 HB2 LEU A 22 9.327 0.692 1.295 1.00 0.00 H new ATOM 0 HB3 LEU A 22 9.177 -0.806 2.192 1.00 0.00 H new ATOM 0 HG LEU A 22 10.720 0.425 3.945 1.00 0.00 H new ATOM 0 HD11 LEU A 22 10.268 2.845 4.034 1.00 0.00 H new ATOM 0 HD12 LEU A 22 11.160 2.393 2.561 1.00 0.00 H new ATOM 0 HD13 LEU A 22 9.417 2.739 2.475 1.00 0.00 H new ATOM 0 HD21 LEU A 22 8.692 1.259 5.075 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.782 1.091 3.555 1.00 0.00 H new ATOM 0 HD23 LEU A 22 8.435 -0.352 4.365 1.00 0.00 H new ATOM 339 N ALA A 23 11.589 -2.765 0.938 1.00 0.00 N ATOM 340 CA ALA A 23 11.836 -4.162 1.276 1.00 0.00 C ATOM 341 C ALA A 23 13.323 -4.425 1.485 1.00 0.00 C ATOM 342 O ALA A 23 14.148 -4.112 0.626 1.00 0.00 O ATOM 343 CB ALA A 23 11.274 -5.077 0.201 1.00 0.00 C ATOM 0 H ALA A 23 11.564 -2.562 -0.061 1.00 0.00 H new ATOM 0 HA ALA A 23 11.325 -4.376 2.215 1.00 0.00 H new ATOM 0 HB1 ALA A 23 11.467 -6.116 0.470 1.00 0.00 H new ATOM 0 HB2 ALA A 23 10.199 -4.919 0.114 1.00 0.00 H new ATOM 0 HB3 ALA A 23 11.752 -4.854 -0.753 1.00 0.00 H new ATOM 349 N THR A 24 13.653 -5.004 2.635 1.00 0.00 N ATOM 350 CA THR A 24 15.041 -5.314 2.968 1.00 0.00 C ATOM 351 C THR A 24 15.527 -6.525 2.178 1.00 0.00 C ATOM 352 O THR A 24 14.726 -7.268 1.612 1.00 0.00 O ATOM 353 CB THR A 24 15.190 -5.568 4.473 1.00 0.00 C ATOM 354 OG1 THR A 24 16.364 -6.313 4.745 1.00 0.00 O ATOM 355 CG2 THR A 24 14.022 -6.317 5.079 1.00 0.00 C ATOM 0 H THR A 24 12.979 -5.269 3.353 1.00 0.00 H new ATOM 0 HA THR A 24 15.655 -4.455 2.697 1.00 0.00 H new ATOM 0 HB THR A 24 15.236 -4.577 4.924 1.00 0.00 H new ATOM 0 HG1 THR A 24 16.440 -6.462 5.711 1.00 0.00 H new ATOM 0 HG21 THR A 24 14.196 -6.461 6.145 1.00 0.00 H new ATOM 0 HG22 THR A 24 13.107 -5.742 4.935 1.00 0.00 H new ATOM 0 HG23 THR A 24 13.921 -7.288 4.594 1.00 0.00 H new ATOM 363 N HIS A 25 16.842 -6.717 2.140 1.00 0.00 N ATOM 364 CA HIS A 25 17.433 -7.831 1.402 1.00 0.00 C ATOM 365 C HIS A 25 16.823 -9.162 1.825 1.00 0.00 C ATOM 366 O HIS A 25 16.739 -10.096 1.028 1.00 0.00 O ATOM 367 CB HIS A 25 18.948 -7.864 1.616 1.00 0.00 C ATOM 368 CG HIS A 25 19.681 -8.652 0.575 1.00 0.00 C ATOM 369 ND1 HIS A 25 21.056 -8.664 0.469 1.00 0.00 N ATOM 370 CD2 HIS A 25 19.223 -9.460 -0.412 1.00 0.00 C ATOM 371 CE1 HIS A 25 21.412 -9.443 -0.538 1.00 0.00 C ATOM 372 NE2 HIS A 25 20.318 -9.938 -1.087 1.00 0.00 N ATOM 0 H HIS A 25 17.519 -6.117 2.611 1.00 0.00 H new ATOM 0 HA HIS A 25 17.221 -7.679 0.344 1.00 0.00 H new ATOM 0 HB2 HIS A 25 19.328 -6.843 1.622 1.00 0.00 H new ATOM 0 HB3 HIS A 25 19.159 -8.289 2.597 1.00 0.00 H new ATOM 0 HD2 HIS A 25 18.189 -9.686 -0.627 1.00 0.00 H new ATOM 0 HE1 HIS A 25 22.425 -9.641 -0.857 1.00 0.00 H new ATOM 0 HE2 HIS A 25 20.291 -10.573 -1.884 1.00 0.00 H new ATOM 381 N VAL A 26 16.390 -9.243 3.075 1.00 0.00 N ATOM 382 CA VAL A 26 15.779 -10.461 3.587 1.00 0.00 C ATOM 383 C VAL A 26 14.388 -10.667 2.991 1.00 0.00 C ATOM 384 O VAL A 26 13.950 -11.801 2.798 1.00 0.00 O ATOM 385 CB VAL A 26 15.681 -10.448 5.126 1.00 0.00 C ATOM 386 CG1 VAL A 26 14.779 -9.319 5.604 1.00 0.00 C ATOM 387 CG2 VAL A 26 15.185 -11.792 5.639 1.00 0.00 C ATOM 0 H VAL A 26 16.450 -8.482 3.752 1.00 0.00 H new ATOM 0 HA VAL A 26 16.424 -11.287 3.289 1.00 0.00 H new ATOM 0 HB VAL A 26 16.678 -10.273 5.530 1.00 0.00 H new ATOM 0 HG11 VAL A 26 14.726 -9.331 6.693 1.00 0.00 H new ATOM 0 HG12 VAL A 26 15.185 -8.364 5.271 1.00 0.00 H new ATOM 0 HG13 VAL A 26 13.779 -9.452 5.191 1.00 0.00 H new ATOM 0 HG21 VAL A 26 15.122 -11.765 6.727 1.00 0.00 H new ATOM 0 HG22 VAL A 26 14.199 -11.999 5.223 1.00 0.00 H new ATOM 0 HG23 VAL A 26 15.879 -12.576 5.335 1.00 0.00 H new ATOM 397 N ASP A 27 13.702 -9.565 2.693 1.00 0.00 N ATOM 398 CA ASP A 27 12.372 -9.634 2.114 1.00 0.00 C ATOM 399 C ASP A 27 12.452 -10.192 0.708 1.00 0.00 C ATOM 400 O ASP A 27 11.660 -11.050 0.320 1.00 0.00 O ATOM 401 CB ASP A 27 11.724 -8.248 2.093 1.00 0.00 C ATOM 402 CG ASP A 27 11.030 -7.913 3.399 1.00 0.00 C ATOM 403 OD1 ASP A 27 11.653 -8.097 4.465 1.00 0.00 O ATOM 404 OD2 ASP A 27 9.865 -7.467 3.354 1.00 0.00 O ATOM 0 H ASP A 27 14.049 -8.618 2.845 1.00 0.00 H new ATOM 0 HA ASP A 27 11.757 -10.294 2.727 1.00 0.00 H new ATOM 0 HB2 ASP A 27 12.487 -7.497 1.887 1.00 0.00 H new ATOM 0 HB3 ASP A 27 11.001 -8.200 1.278 1.00 0.00 H new ATOM 409 N TRP A 28 13.427 -9.705 -0.052 1.00 0.00 N ATOM 410 CA TRP A 28 13.617 -10.165 -1.412 1.00 0.00 C ATOM 411 C TRP A 28 14.224 -11.564 -1.426 1.00 0.00 C ATOM 412 O TRP A 28 13.931 -12.373 -2.306 1.00 0.00 O ATOM 413 CB TRP A 28 14.492 -9.194 -2.208 1.00 0.00 C ATOM 414 CG TRP A 28 13.959 -7.793 -2.217 1.00 0.00 C ATOM 415 CD1 TRP A 28 13.975 -6.914 -1.179 1.00 0.00 C ATOM 416 CD2 TRP A 28 13.324 -7.113 -3.307 1.00 0.00 C ATOM 417 NE1 TRP A 28 13.406 -5.726 -1.553 1.00 0.00 N ATOM 418 CE2 TRP A 28 12.991 -5.823 -2.850 1.00 0.00 C ATOM 419 CE3 TRP A 28 13.005 -7.464 -4.621 1.00 0.00 C ATOM 420 CZ2 TRP A 28 12.358 -4.884 -3.655 1.00 0.00 C ATOM 421 CZ3 TRP A 28 12.375 -6.531 -5.424 1.00 0.00 C ATOM 422 CH2 TRP A 28 12.056 -5.255 -4.938 1.00 0.00 C ATOM 0 H TRP A 28 14.092 -8.995 0.254 1.00 0.00 H new ATOM 0 HA TRP A 28 12.638 -10.206 -1.890 1.00 0.00 H new ATOM 0 HB2 TRP A 28 15.497 -9.191 -1.786 1.00 0.00 H new ATOM 0 HB3 TRP A 28 14.578 -9.550 -3.235 1.00 0.00 H new ATOM 0 HD1 TRP A 28 14.379 -7.123 -0.199 1.00 0.00 H new ATOM 0 HE1 TRP A 28 13.308 -4.902 -0.959 1.00 0.00 H new ATOM 0 HE3 TRP A 28 13.246 -8.445 -5.002 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 12.114 -3.900 -3.283 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 12.125 -6.789 -6.442 1.00 0.00 H new ATOM 0 HH2 TRP A 28 11.562 -4.550 -5.590 1.00 0.00 H new ATOM 433 N GLN A 29 15.070 -11.839 -0.436 1.00 0.00 N ATOM 434 CA GLN A 29 15.722 -13.140 -0.320 1.00 0.00 C ATOM 435 C GLN A 29 14.686 -14.257 -0.260 1.00 0.00 C ATOM 436 O GLN A 29 14.828 -15.287 -0.920 1.00 0.00 O ATOM 437 CB GLN A 29 16.604 -13.173 0.931 1.00 0.00 C ATOM 438 CG GLN A 29 17.273 -14.517 1.175 1.00 0.00 C ATOM 439 CD GLN A 29 18.353 -14.824 0.156 1.00 0.00 C ATOM 440 OE1 GLN A 29 18.441 -14.175 -0.887 1.00 0.00 O ATOM 441 NE2 GLN A 29 19.183 -15.818 0.454 1.00 0.00 N ATOM 0 H GLN A 29 15.320 -11.177 0.298 1.00 0.00 H new ATOM 0 HA GLN A 29 16.345 -13.295 -1.201 1.00 0.00 H new ATOM 0 HB2 GLN A 29 17.373 -12.406 0.842 1.00 0.00 H new ATOM 0 HB3 GLN A 29 15.997 -12.917 1.799 1.00 0.00 H new ATOM 0 HG2 GLN A 29 17.708 -14.526 2.174 1.00 0.00 H new ATOM 0 HG3 GLN A 29 16.519 -15.304 1.149 1.00 0.00 H new ATOM 0 HE21 GLN A 29 19.073 -16.329 1.330 1.00 0.00 H new ATOM 0 HE22 GLN A 29 19.930 -16.070 -0.193 1.00 0.00 H new ATOM 450 N ASN A 30 13.640 -14.040 0.529 1.00 0.00 N ATOM 451 CA ASN A 30 12.571 -15.020 0.672 1.00 0.00 C ATOM 452 C ASN A 30 11.283 -14.498 0.044 1.00 0.00 C ATOM 453 O ASN A 30 10.183 -14.832 0.484 1.00 0.00 O ATOM 454 CB ASN A 30 12.342 -15.346 2.151 1.00 0.00 C ATOM 455 CG ASN A 30 12.904 -16.700 2.537 1.00 0.00 C ATOM 456 OD1 ASN A 30 14.079 -16.821 2.885 1.00 0.00 O ATOM 457 ND2 ASN A 30 12.064 -17.727 2.481 1.00 0.00 N ATOM 0 H ASN A 30 13.510 -13.192 1.080 1.00 0.00 H new ATOM 0 HA ASN A 30 12.867 -15.932 0.154 1.00 0.00 H new ATOM 0 HB2 ASN A 30 12.805 -14.575 2.766 1.00 0.00 H new ATOM 0 HB3 ASN A 30 11.273 -15.325 2.364 1.00 0.00 H new ATOM 0 HD21 ASN A 30 12.384 -18.662 2.732 1.00 0.00 H new ATOM 0 HD22 ASN A 30 11.098 -17.581 2.187 1.00 0.00 H new ATOM 464 N CYS A 31 11.430 -13.669 -0.986 1.00 0.00 N ATOM 465 CA CYS A 31 10.285 -13.092 -1.676 1.00 0.00 C ATOM 466 C CYS A 31 9.642 -14.106 -2.614 1.00 0.00 C ATOM 467 O CYS A 31 10.323 -14.763 -3.401 1.00 0.00 O ATOM 468 CB CYS A 31 10.713 -11.845 -2.459 1.00 0.00 C ATOM 469 SG CYS A 31 9.475 -11.226 -3.624 1.00 0.00 S ATOM 0 H CYS A 31 12.334 -13.382 -1.360 1.00 0.00 H new ATOM 0 HA CYS A 31 9.546 -12.807 -0.927 1.00 0.00 H new ATOM 0 HB2 CYS A 31 10.955 -11.052 -1.751 1.00 0.00 H new ATOM 0 HB3 CYS A 31 11.627 -12.072 -3.007 1.00 0.00 H new ATOM 0 HG CYS A 31 8.296 -11.289 -3.079 1.00 0.00 H new ATOM 475 N VAL A 32 8.322 -14.218 -2.527 1.00 0.00 N ATOM 476 CA VAL A 32 7.574 -15.137 -3.368 1.00 0.00 C ATOM 477 C VAL A 32 7.057 -14.435 -4.618 1.00 0.00 C ATOM 478 O VAL A 32 7.060 -15.009 -5.708 1.00 0.00 O ATOM 479 CB VAL A 32 6.375 -15.751 -2.615 1.00 0.00 C ATOM 480 CG1 VAL A 32 6.847 -16.743 -1.566 1.00 0.00 C ATOM 481 CG2 VAL A 32 5.529 -14.661 -1.976 1.00 0.00 C ATOM 0 H VAL A 32 7.748 -13.680 -1.878 1.00 0.00 H new ATOM 0 HA VAL A 32 8.263 -15.933 -3.650 1.00 0.00 H new ATOM 0 HB VAL A 32 5.759 -16.286 -3.337 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.985 -17.163 -1.048 1.00 0.00 H new ATOM 0 HG12 VAL A 32 7.406 -17.545 -2.049 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.490 -16.234 -0.847 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.689 -15.114 -1.450 1.00 0.00 H new ATOM 0 HG22 VAL A 32 6.137 -14.096 -1.270 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.154 -13.991 -2.750 1.00 0.00 H new ATOM 491 N TRP A 33 6.600 -13.194 -4.457 1.00 0.00 N ATOM 492 CA TRP A 33 6.065 -12.435 -5.587 1.00 0.00 C ATOM 493 C TRP A 33 6.501 -10.968 -5.544 1.00 0.00 C ATOM 494 O TRP A 33 6.770 -10.418 -4.476 1.00 0.00 O ATOM 495 CB TRP A 33 4.535 -12.551 -5.610 1.00 0.00 C ATOM 496 CG TRP A 33 3.834 -11.379 -6.229 1.00 0.00 C ATOM 497 CD1 TRP A 33 3.276 -11.311 -7.474 1.00 0.00 C ATOM 498 CD2 TRP A 33 3.619 -10.105 -5.623 1.00 0.00 C ATOM 499 NE1 TRP A 33 2.728 -10.067 -7.675 1.00 0.00 N ATOM 500 CE2 TRP A 33 2.927 -9.307 -6.551 1.00 0.00 C ATOM 501 CE3 TRP A 33 3.946 -9.563 -4.381 1.00 0.00 C ATOM 502 CZ2 TRP A 33 2.559 -7.992 -6.270 1.00 0.00 C ATOM 503 CZ3 TRP A 33 3.583 -8.261 -4.104 1.00 0.00 C ATOM 504 CH2 TRP A 33 2.896 -7.489 -5.046 1.00 0.00 C ATOM 0 H TRP A 33 6.589 -12.697 -3.566 1.00 0.00 H new ATOM 0 HA TRP A 33 6.470 -12.860 -6.505 1.00 0.00 H new ATOM 0 HB2 TRP A 33 4.259 -13.453 -6.156 1.00 0.00 H new ATOM 0 HB3 TRP A 33 4.177 -12.675 -4.588 1.00 0.00 H new ATOM 0 HD1 TRP A 33 3.267 -12.116 -8.194 1.00 0.00 H new ATOM 0 HE1 TRP A 33 2.251 -9.759 -8.522 1.00 0.00 H new ATOM 0 HE3 TRP A 33 4.475 -10.153 -3.647 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 2.027 -7.393 -6.994 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 3.833 -7.832 -3.145 1.00 0.00 H new ATOM 0 HH2 TRP A 33 2.626 -6.473 -4.800 1.00 0.00 H new ATOM 515 N GLU A 34 6.559 -10.342 -6.719 1.00 0.00 N ATOM 516 CA GLU A 34 6.948 -8.939 -6.834 1.00 0.00 C ATOM 517 C GLU A 34 6.435 -8.345 -8.146 1.00 0.00 C ATOM 518 O GLU A 34 6.770 -8.826 -9.228 1.00 0.00 O ATOM 519 CB GLU A 34 8.470 -8.798 -6.751 1.00 0.00 C ATOM 520 CG GLU A 34 8.962 -7.370 -6.929 1.00 0.00 C ATOM 521 CD GLU A 34 9.549 -7.123 -8.306 1.00 0.00 C ATOM 522 OE1 GLU A 34 10.094 -8.077 -8.899 1.00 0.00 O ATOM 523 OE2 GLU A 34 9.460 -5.976 -8.791 1.00 0.00 O ATOM 0 H GLU A 34 6.340 -10.789 -7.609 1.00 0.00 H new ATOM 0 HA GLU A 34 6.500 -8.391 -6.005 1.00 0.00 H new ATOM 0 HB2 GLU A 34 8.809 -9.172 -5.785 1.00 0.00 H new ATOM 0 HB3 GLU A 34 8.927 -9.428 -7.514 1.00 0.00 H new ATOM 0 HG2 GLU A 34 8.134 -6.681 -6.762 1.00 0.00 H new ATOM 0 HG3 GLU A 34 9.716 -7.152 -6.172 1.00 0.00 H new ATOM 530 N ASP A 35 5.613 -7.301 -8.041 1.00 0.00 N ATOM 531 CA ASP A 35 5.048 -6.649 -9.223 1.00 0.00 C ATOM 532 C ASP A 35 5.694 -5.291 -9.474 1.00 0.00 C ATOM 533 O ASP A 35 5.577 -4.375 -8.659 1.00 0.00 O ATOM 534 CB ASP A 35 3.538 -6.477 -9.062 1.00 0.00 C ATOM 535 CG ASP A 35 2.757 -7.646 -9.628 1.00 0.00 C ATOM 536 OD1 ASP A 35 3.318 -8.386 -10.464 1.00 0.00 O ATOM 537 OD2 ASP A 35 1.585 -7.823 -9.235 1.00 0.00 O ATOM 0 H ASP A 35 5.324 -6.890 -7.153 1.00 0.00 H new ATOM 0 HA ASP A 35 5.252 -7.289 -10.082 1.00 0.00 H new ATOM 0 HB2 ASP A 35 3.299 -6.363 -8.005 1.00 0.00 H new ATOM 0 HB3 ASP A 35 3.225 -5.560 -9.560 1.00 0.00 H new ATOM 542 N TYR A 36 6.366 -5.165 -10.613 1.00 0.00 N ATOM 543 CA TYR A 36 7.024 -3.917 -10.980 1.00 0.00 C ATOM 544 C TYR A 36 6.000 -2.813 -11.230 1.00 0.00 C ATOM 545 O TYR A 36 6.279 -1.633 -11.014 1.00 0.00 O ATOM 546 CB TYR A 36 7.886 -4.118 -12.229 1.00 0.00 C ATOM 547 CG TYR A 36 7.181 -4.869 -13.336 1.00 0.00 C ATOM 548 CD1 TYR A 36 6.257 -4.232 -14.154 1.00 0.00 C ATOM 549 CD2 TYR A 36 7.440 -6.215 -13.563 1.00 0.00 C ATOM 550 CE1 TYR A 36 5.610 -4.914 -15.167 1.00 0.00 C ATOM 551 CE2 TYR A 36 6.797 -6.904 -14.575 1.00 0.00 C ATOM 552 CZ TYR A 36 5.883 -6.249 -15.373 1.00 0.00 C ATOM 553 OH TYR A 36 5.242 -6.933 -16.381 1.00 0.00 O ATOM 0 H TYR A 36 6.469 -5.913 -11.299 1.00 0.00 H new ATOM 0 HA TYR A 36 7.662 -3.616 -10.149 1.00 0.00 H new ATOM 0 HB2 TYR A 36 8.200 -3.144 -12.604 1.00 0.00 H new ATOM 0 HB3 TYR A 36 8.791 -4.660 -11.953 1.00 0.00 H new ATOM 0 HD1 TYR A 36 6.040 -3.186 -13.996 1.00 0.00 H new ATOM 0 HD2 TYR A 36 8.155 -6.731 -12.939 1.00 0.00 H new ATOM 0 HE1 TYR A 36 4.894 -4.403 -15.794 1.00 0.00 H new ATOM 0 HE2 TYR A 36 7.010 -7.950 -14.740 1.00 0.00 H new ATOM 0 HH TYR A 36 5.549 -7.864 -16.392 1.00 0.00 H new ATOM 563 N ASN A 37 4.813 -3.203 -11.688 1.00 0.00 N ATOM 564 CA ASN A 37 3.749 -2.248 -11.968 1.00 0.00 C ATOM 565 C ASN A 37 3.254 -1.587 -10.685 1.00 0.00 C ATOM 566 O ASN A 37 2.738 -0.471 -10.712 1.00 0.00 O ATOM 567 CB ASN A 37 2.587 -2.944 -12.679 1.00 0.00 C ATOM 568 CG ASN A 37 2.074 -4.145 -11.909 1.00 0.00 C ATOM 569 OD1 ASN A 37 1.951 -4.107 -10.685 1.00 0.00 O ATOM 570 ND2 ASN A 37 1.769 -5.221 -12.625 1.00 0.00 N ATOM 0 H ASN A 37 4.566 -4.175 -11.873 1.00 0.00 H new ATOM 0 HA ASN A 37 4.154 -1.473 -12.619 1.00 0.00 H new ATOM 0 HB2 ASN A 37 1.773 -2.233 -12.821 1.00 0.00 H new ATOM 0 HB3 ASN A 37 2.909 -3.262 -13.670 1.00 0.00 H new ATOM 0 HD21 ASN A 37 1.418 -6.059 -12.162 1.00 0.00 H new ATOM 0 HD22 ASN A 37 1.886 -5.209 -13.638 1.00 0.00 H new ATOM 577 N ARG A 38 3.411 -2.277 -9.562 1.00 0.00 N ATOM 578 CA ARG A 38 2.974 -1.740 -8.278 1.00 0.00 C ATOM 579 C ARG A 38 4.150 -1.551 -7.322 1.00 0.00 C ATOM 580 O ARG A 38 3.971 -1.091 -6.194 1.00 0.00 O ATOM 581 CB ARG A 38 1.926 -2.659 -7.648 1.00 0.00 C ATOM 582 CG ARG A 38 0.497 -2.235 -7.942 1.00 0.00 C ATOM 583 CD ARG A 38 -0.501 -3.049 -7.138 1.00 0.00 C ATOM 584 NE ARG A 38 -0.344 -4.483 -7.368 1.00 0.00 N ATOM 585 CZ ARG A 38 -0.293 -5.396 -6.399 1.00 0.00 C ATOM 586 NH1 ARG A 38 -0.412 -5.039 -5.126 1.00 0.00 N ATOM 587 NH2 ARG A 38 -0.130 -6.674 -6.706 1.00 0.00 N ATOM 0 H ARG A 38 3.835 -3.204 -9.513 1.00 0.00 H new ATOM 0 HA ARG A 38 2.529 -0.762 -8.460 1.00 0.00 H new ATOM 0 HB2 ARG A 38 2.078 -3.675 -8.013 1.00 0.00 H new ATOM 0 HB3 ARG A 38 2.076 -2.682 -6.569 1.00 0.00 H new ATOM 0 HG2 ARG A 38 0.375 -1.177 -7.711 1.00 0.00 H new ATOM 0 HG3 ARG A 38 0.292 -2.354 -9.006 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -0.373 -2.835 -6.077 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -1.514 -2.747 -7.404 1.00 0.00 H new ATOM 0 HE ARG A 38 -0.269 -4.806 -8.333 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -0.544 -4.058 -4.882 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -0.372 -5.746 -4.392 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -0.044 -6.957 -7.682 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -0.091 -7.375 -5.966 1.00 0.00 H new ATOM 601 N ASP A 39 5.353 -1.908 -7.771 1.00 0.00 N ATOM 602 CA ASP A 39 6.547 -1.771 -6.942 1.00 0.00 C ATOM 603 C ASP A 39 6.329 -2.417 -5.577 1.00 0.00 C ATOM 604 O ASP A 39 6.778 -1.900 -4.554 1.00 0.00 O ATOM 605 CB ASP A 39 6.909 -0.295 -6.774 1.00 0.00 C ATOM 606 CG ASP A 39 7.559 0.287 -8.014 1.00 0.00 C ATOM 607 OD1 ASP A 39 8.043 -0.499 -8.855 1.00 0.00 O ATOM 608 OD2 ASP A 39 7.584 1.529 -8.143 1.00 0.00 O ATOM 0 H ASP A 39 5.525 -2.292 -8.700 1.00 0.00 H new ATOM 0 HA ASP A 39 7.372 -2.281 -7.439 1.00 0.00 H new ATOM 0 HB2 ASP A 39 6.008 0.272 -6.539 1.00 0.00 H new ATOM 0 HB3 ASP A 39 7.586 -0.184 -5.927 1.00 0.00 H new ATOM 613 N LEU A 40 5.626 -3.543 -5.574 1.00 0.00 N ATOM 614 CA LEU A 40 5.330 -4.262 -4.340 1.00 0.00 C ATOM 615 C LEU A 40 5.789 -5.715 -4.432 1.00 0.00 C ATOM 616 O LEU A 40 5.845 -6.290 -5.519 1.00 0.00 O ATOM 617 CB LEU A 40 3.828 -4.199 -4.055 1.00 0.00 C ATOM 618 CG LEU A 40 3.365 -4.947 -2.804 1.00 0.00 C ATOM 619 CD1 LEU A 40 3.698 -4.149 -1.554 1.00 0.00 C ATOM 620 CD2 LEU A 40 1.871 -5.230 -2.879 1.00 0.00 C ATOM 0 H LEU A 40 5.249 -3.980 -6.415 1.00 0.00 H new ATOM 0 HA LEU A 40 5.873 -3.788 -3.522 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.537 -3.153 -3.960 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.295 -4.602 -4.916 1.00 0.00 H new ATOM 0 HG LEU A 40 3.893 -5.899 -2.752 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.362 -4.696 -0.673 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.776 -3.996 -1.496 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.196 -3.182 -1.595 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.556 -5.763 -1.982 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.326 -4.289 -2.952 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.660 -5.841 -3.757 1.00 0.00 H new ATOM 632 N LEU A 41 6.110 -6.306 -3.284 1.00 0.00 N ATOM 633 CA LEU A 41 6.556 -7.698 -3.241 1.00 0.00 C ATOM 634 C LEU A 41 6.048 -8.413 -1.996 1.00 0.00 C ATOM 635 O LEU A 41 5.740 -7.783 -0.987 1.00 0.00 O ATOM 636 CB LEU A 41 8.093 -7.807 -3.342 1.00 0.00 C ATOM 637 CG LEU A 41 8.949 -7.186 -2.213 1.00 0.00 C ATOM 638 CD1 LEU A 41 9.740 -6.003 -2.747 1.00 0.00 C ATOM 639 CD2 LEU A 41 8.127 -6.757 -1.008 1.00 0.00 C ATOM 0 H LEU A 41 6.070 -5.846 -2.374 1.00 0.00 H new ATOM 0 HA LEU A 41 6.126 -8.194 -4.111 1.00 0.00 H new ATOM 0 HB2 LEU A 41 8.347 -8.865 -3.408 1.00 0.00 H new ATOM 0 HB3 LEU A 41 8.398 -7.346 -4.282 1.00 0.00 H new ATOM 0 HG LEU A 41 9.628 -7.967 -1.871 1.00 0.00 H new ATOM 0 HD11 LEU A 41 10.339 -5.573 -1.944 1.00 0.00 H new ATOM 0 HD12 LEU A 41 10.396 -6.337 -3.550 1.00 0.00 H new ATOM 0 HD13 LEU A 41 9.053 -5.249 -3.130 1.00 0.00 H new ATOM 0 HD21 LEU A 41 8.786 -6.330 -0.252 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.394 -6.011 -1.315 1.00 0.00 H new ATOM 0 HD23 LEU A 41 7.611 -7.623 -0.593 1.00 0.00 H new ATOM 651 N VAL A 42 5.956 -9.736 -2.074 1.00 0.00 N ATOM 652 CA VAL A 42 5.490 -10.532 -0.948 1.00 0.00 C ATOM 653 C VAL A 42 6.555 -11.524 -0.517 1.00 0.00 C ATOM 654 O VAL A 42 7.093 -12.271 -1.339 1.00 0.00 O ATOM 655 CB VAL A 42 4.181 -11.305 -1.268 1.00 0.00 C ATOM 656 CG1 VAL A 42 3.937 -12.427 -0.259 1.00 0.00 C ATOM 657 CG2 VAL A 42 2.987 -10.365 -1.292 1.00 0.00 C ATOM 0 H VAL A 42 6.198 -10.278 -2.904 1.00 0.00 H new ATOM 0 HA VAL A 42 5.282 -9.830 -0.140 1.00 0.00 H new ATOM 0 HB VAL A 42 4.300 -11.749 -2.256 1.00 0.00 H new ATOM 0 HG11 VAL A 42 3.014 -12.948 -0.511 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.770 -13.130 -0.288 1.00 0.00 H new ATOM 0 HG13 VAL A 42 3.853 -12.004 0.742 1.00 0.00 H new ATOM 0 HG21 VAL A 42 2.083 -10.931 -1.518 1.00 0.00 H new ATOM 0 HG22 VAL A 42 2.881 -9.886 -0.319 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.139 -9.603 -2.057 1.00 0.00 H new ATOM 667 N SER A 43 6.827 -11.529 0.783 1.00 0.00 N ATOM 668 CA SER A 43 7.799 -12.433 1.375 1.00 0.00 C ATOM 669 C SER A 43 7.105 -13.297 2.420 1.00 0.00 C ATOM 670 O SER A 43 6.049 -12.925 2.931 1.00 0.00 O ATOM 671 CB SER A 43 8.948 -11.649 2.012 1.00 0.00 C ATOM 672 OG SER A 43 8.595 -11.183 3.303 1.00 0.00 O ATOM 0 H SER A 43 6.378 -10.905 1.454 1.00 0.00 H new ATOM 0 HA SER A 43 8.218 -13.069 0.595 1.00 0.00 H new ATOM 0 HB2 SER A 43 9.831 -12.284 2.080 1.00 0.00 H new ATOM 0 HB3 SER A 43 9.212 -10.804 1.376 1.00 0.00 H new ATOM 0 HG SER A 43 9.347 -10.687 3.689 1.00 0.00 H new ATOM 678 N THR A 44 7.677 -14.451 2.725 1.00 0.00 N ATOM 679 CA THR A 44 7.069 -15.350 3.699 1.00 0.00 C ATOM 680 C THR A 44 7.692 -15.186 5.078 1.00 0.00 C ATOM 681 O THR A 44 8.903 -15.322 5.250 1.00 0.00 O ATOM 682 CB THR A 44 7.186 -16.796 3.226 1.00 0.00 C ATOM 683 OG1 THR A 44 8.492 -17.297 3.442 1.00 0.00 O ATOM 684 CG2 THR A 44 6.864 -16.954 1.760 1.00 0.00 C ATOM 0 H THR A 44 8.551 -14.786 2.319 1.00 0.00 H new ATOM 0 HA THR A 44 6.014 -15.089 3.783 1.00 0.00 H new ATOM 0 HB THR A 44 6.458 -17.358 3.811 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.986 -16.682 4.023 1.00 0.00 H new ATOM 0 HG21 THR A 44 6.963 -18.002 1.477 1.00 0.00 H new ATOM 0 HG22 THR A 44 5.842 -16.623 1.574 1.00 0.00 H new ATOM 0 HG23 THR A 44 7.554 -16.352 1.169 1.00 0.00 H new ATOM 692 N THR A 45 6.844 -14.887 6.055 1.00 0.00 N ATOM 693 CA THR A 45 7.286 -14.693 7.430 1.00 0.00 C ATOM 694 C THR A 45 6.663 -15.734 8.353 1.00 0.00 C ATOM 695 O THR A 45 5.489 -16.079 8.213 1.00 0.00 O ATOM 696 CB THR A 45 6.920 -13.284 7.907 1.00 0.00 C ATOM 697 OG1 THR A 45 6.969 -13.204 9.320 1.00 0.00 O ATOM 698 CG2 THR A 45 5.538 -12.840 7.468 1.00 0.00 C ATOM 0 H THR A 45 5.840 -14.773 5.918 1.00 0.00 H new ATOM 0 HA THR A 45 8.369 -14.811 7.460 1.00 0.00 H new ATOM 0 HB THR A 45 7.657 -12.625 7.448 1.00 0.00 H new ATOM 0 HG1 THR A 45 6.734 -12.296 9.605 1.00 0.00 H new ATOM 0 HG21 THR A 45 5.344 -11.834 7.840 1.00 0.00 H new ATOM 0 HG22 THR A 45 5.484 -12.841 6.379 1.00 0.00 H new ATOM 0 HG23 THR A 45 4.791 -13.525 7.869 1.00 0.00 H new ATOM 706 N THR A 46 7.454 -16.232 9.297 1.00 0.00 N ATOM 707 CA THR A 46 6.977 -17.235 10.243 1.00 0.00 C ATOM 708 C THR A 46 6.505 -16.581 11.538 1.00 0.00 C ATOM 709 O THR A 46 6.840 -17.031 12.634 1.00 0.00 O ATOM 710 CB THR A 46 8.083 -18.251 10.540 1.00 0.00 C ATOM 711 OG1 THR A 46 9.344 -17.610 10.617 1.00 0.00 O ATOM 712 CG2 THR A 46 8.185 -19.345 9.500 1.00 0.00 C ATOM 0 H THR A 46 8.428 -15.958 9.428 1.00 0.00 H new ATOM 0 HA THR A 46 6.130 -17.753 9.792 1.00 0.00 H new ATOM 0 HB THR A 46 7.812 -18.704 11.494 1.00 0.00 H new ATOM 0 HG1 THR A 46 10.038 -18.275 10.809 1.00 0.00 H new ATOM 0 HG21 THR A 46 8.988 -20.031 9.771 1.00 0.00 H new ATOM 0 HG22 THR A 46 7.243 -19.891 9.452 1.00 0.00 H new ATOM 0 HG23 THR A 46 8.398 -18.903 8.527 1.00 0.00 H new ATOM 720 N ALA A 47 5.724 -15.512 11.404 1.00 0.00 N ATOM 721 CA ALA A 47 5.205 -14.795 12.562 1.00 0.00 C ATOM 722 C ALA A 47 3.679 -14.777 12.556 1.00 0.00 C ATOM 723 O ALA A 47 3.047 -15.278 11.627 1.00 0.00 O ATOM 724 CB ALA A 47 5.750 -13.375 12.590 1.00 0.00 C ATOM 0 H ALA A 47 5.438 -15.125 10.505 1.00 0.00 H new ATOM 0 HA ALA A 47 5.534 -15.317 13.460 1.00 0.00 H new ATOM 0 HB1 ALA A 47 5.354 -12.851 13.460 1.00 0.00 H new ATOM 0 HB2 ALA A 47 6.838 -13.404 12.647 1.00 0.00 H new ATOM 0 HB3 ALA A 47 5.448 -12.852 11.683 1.00 0.00 H new ATOM 730 N HIS A 48 3.096 -14.198 13.600 1.00 0.00 N ATOM 731 CA HIS A 48 1.644 -14.115 13.715 1.00 0.00 C ATOM 732 C HIS A 48 1.114 -12.859 13.030 1.00 0.00 C ATOM 733 O HIS A 48 1.498 -11.743 13.376 1.00 0.00 O ATOM 734 CB HIS A 48 1.227 -14.117 15.187 1.00 0.00 C ATOM 735 CG HIS A 48 1.302 -15.467 15.829 1.00 0.00 C ATOM 736 ND1 HIS A 48 2.491 -16.121 16.072 1.00 0.00 N ATOM 737 CD2 HIS A 48 0.324 -16.289 16.281 1.00 0.00 C ATOM 738 CE1 HIS A 48 2.243 -17.286 16.645 1.00 0.00 C ATOM 739 NE2 HIS A 48 0.936 -17.411 16.784 1.00 0.00 N ATOM 0 H HIS A 48 3.606 -13.780 14.378 1.00 0.00 H new ATOM 0 HA HIS A 48 1.216 -14.987 13.220 1.00 0.00 H new ATOM 0 HB2 HIS A 48 1.865 -13.426 15.738 1.00 0.00 H new ATOM 0 HB3 HIS A 48 0.207 -13.742 15.268 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -0.738 -16.098 16.251 1.00 0.00 H new ATOM 0 HE1 HIS A 48 2.983 -18.012 16.948 1.00 0.00 H new ATOM 0 HE2 HIS A 48 0.458 -18.211 17.198 1.00 0.00 H new ATOM 748 N GLY A 49 0.229 -13.051 12.057 1.00 0.00 N ATOM 749 CA GLY A 49 -0.340 -11.925 11.339 1.00 0.00 C ATOM 750 C GLY A 49 -1.180 -11.033 12.233 1.00 0.00 C ATOM 751 O GLY A 49 -1.385 -11.337 13.408 1.00 0.00 O ATOM 0 H GLY A 49 -0.104 -13.966 11.753 1.00 0.00 H new ATOM 0 HA2 GLY A 49 0.464 -11.337 10.896 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.955 -12.294 10.518 1.00 0.00 H new ATOM 755 N CYS A 50 -1.668 -9.929 11.676 1.00 0.00 N ATOM 756 CA CYS A 50 -2.490 -8.991 12.432 1.00 0.00 C ATOM 757 C CYS A 50 -3.416 -8.210 11.507 1.00 0.00 C ATOM 758 O CYS A 50 -4.606 -8.059 11.785 1.00 0.00 O ATOM 759 CB CYS A 50 -1.604 -8.026 13.221 1.00 0.00 C ATOM 760 SG CYS A 50 -1.202 -8.590 14.891 1.00 0.00 S ATOM 0 H CYS A 50 -1.509 -9.662 10.704 1.00 0.00 H new ATOM 0 HA CYS A 50 -3.102 -9.563 13.129 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -0.677 -7.868 12.670 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -2.105 -7.060 13.286 1.00 0.00 H new ATOM 0 HG CYS A 50 -1.111 -9.887 14.901 1.00 0.00 H new ATOM 766 N ASP A 51 -2.862 -7.711 10.406 1.00 0.00 N ATOM 767 CA ASP A 51 -3.639 -6.944 9.440 1.00 0.00 C ATOM 768 C ASP A 51 -4.564 -7.852 8.636 1.00 0.00 C ATOM 769 O ASP A 51 -4.208 -8.982 8.303 1.00 0.00 O ATOM 770 CB ASP A 51 -2.709 -6.179 8.496 1.00 0.00 C ATOM 771 CG ASP A 51 -1.927 -5.093 9.208 1.00 0.00 C ATOM 772 OD1 ASP A 51 -1.608 -5.277 10.401 1.00 0.00 O ATOM 773 OD2 ASP A 51 -1.634 -4.059 8.573 1.00 0.00 O ATOM 0 H ASP A 51 -1.878 -7.824 10.161 1.00 0.00 H new ATOM 0 HA ASP A 51 -4.252 -6.231 9.992 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.014 -6.878 8.031 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -3.297 -5.733 7.694 1.00 0.00 H new ATOM 778 N THR A 52 -5.751 -7.344 8.321 1.00 0.00 N ATOM 779 CA THR A 52 -6.730 -8.099 7.549 1.00 0.00 C ATOM 780 C THR A 52 -7.071 -7.357 6.263 1.00 0.00 C ATOM 781 O THR A 52 -7.555 -6.227 6.301 1.00 0.00 O ATOM 782 CB THR A 52 -7.998 -8.329 8.373 1.00 0.00 C ATOM 783 OG1 THR A 52 -7.689 -8.964 9.601 1.00 0.00 O ATOM 784 CG2 THR A 52 -9.028 -9.179 7.662 1.00 0.00 C ATOM 0 H THR A 52 -6.058 -6.409 8.590 1.00 0.00 H new ATOM 0 HA THR A 52 -6.298 -9.067 7.295 1.00 0.00 H new ATOM 0 HB THR A 52 -8.420 -7.338 8.536 1.00 0.00 H new ATOM 0 HG1 THR A 52 -8.512 -9.101 10.115 1.00 0.00 H new ATOM 0 HG21 THR A 52 -9.902 -9.303 8.302 1.00 0.00 H new ATOM 0 HG22 THR A 52 -9.324 -8.691 6.734 1.00 0.00 H new ATOM 0 HG23 THR A 52 -8.601 -10.156 7.438 1.00 0.00 H new ATOM 792 N ILE A 53 -6.811 -7.991 5.125 1.00 0.00 N ATOM 793 CA ILE A 53 -7.085 -7.369 3.836 1.00 0.00 C ATOM 794 C ILE A 53 -8.582 -7.316 3.561 1.00 0.00 C ATOM 795 O ILE A 53 -9.316 -8.260 3.854 1.00 0.00 O ATOM 796 CB ILE A 53 -6.393 -8.101 2.666 1.00 0.00 C ATOM 797 CG1 ILE A 53 -4.967 -8.535 3.044 1.00 0.00 C ATOM 798 CG2 ILE A 53 -6.379 -7.208 1.435 1.00 0.00 C ATOM 799 CD1 ILE A 53 -3.926 -7.437 2.930 1.00 0.00 C ATOM 0 H ILE A 53 -6.414 -8.929 5.069 1.00 0.00 H new ATOM 0 HA ILE A 53 -6.681 -6.359 3.899 1.00 0.00 H new ATOM 0 HB ILE A 53 -6.959 -9.005 2.441 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -4.973 -8.908 4.068 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -4.672 -9.366 2.404 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -5.889 -7.730 0.613 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -7.403 -6.963 1.151 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -5.835 -6.290 1.658 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -2.950 -7.830 3.215 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -3.886 -7.078 1.901 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.193 -6.613 3.591 1.00 0.00 H new ATOM 811 N ALA A 54 -9.023 -6.195 3.005 1.00 0.00 N ATOM 812 CA ALA A 54 -10.428 -5.988 2.691 1.00 0.00 C ATOM 813 C ALA A 54 -10.846 -6.774 1.453 1.00 0.00 C ATOM 814 O ALA A 54 -11.877 -7.447 1.453 1.00 0.00 O ATOM 815 CB ALA A 54 -10.696 -4.506 2.488 1.00 0.00 C ATOM 0 H ALA A 54 -8.420 -5.409 2.761 1.00 0.00 H new ATOM 0 HA ALA A 54 -11.021 -6.353 3.530 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -11.750 -4.356 2.253 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -10.446 -3.963 3.400 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -10.084 -4.135 1.666 1.00 0.00 H new ATOM 821 N ARG A 55 -10.048 -6.673 0.394 1.00 0.00 N ATOM 822 CA ARG A 55 -10.346 -7.365 -0.855 1.00 0.00 C ATOM 823 C ARG A 55 -11.590 -6.776 -1.519 1.00 0.00 C ATOM 824 O ARG A 55 -12.152 -7.366 -2.442 1.00 0.00 O ATOM 825 CB ARG A 55 -10.546 -8.862 -0.606 1.00 0.00 C ATOM 826 CG ARG A 55 -10.321 -9.721 -1.840 1.00 0.00 C ATOM 827 CD ARG A 55 -11.634 -10.129 -2.488 1.00 0.00 C ATOM 828 NE ARG A 55 -11.615 -9.934 -3.936 1.00 0.00 N ATOM 829 CZ ARG A 55 -10.820 -10.607 -4.765 1.00 0.00 C ATOM 830 NH1 ARG A 55 -9.974 -11.514 -4.292 1.00 0.00 N ATOM 831 NH2 ARG A 55 -10.870 -10.371 -6.068 1.00 0.00 N ATOM 0 H ARG A 55 -9.191 -6.119 0.376 1.00 0.00 H new ATOM 0 HA ARG A 55 -9.497 -7.230 -1.525 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -9.864 -9.185 0.180 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -11.558 -9.028 -0.238 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -9.715 -9.171 -2.560 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -9.758 -10.613 -1.565 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -11.837 -11.177 -2.266 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -12.448 -9.548 -2.055 1.00 0.00 H new ATOM 0 HE ARG A 55 -12.248 -9.241 -4.335 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -9.931 -11.698 -3.290 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -9.367 -12.027 -4.931 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -11.517 -9.674 -6.436 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -10.261 -10.886 -6.703 1.00 0.00 H new ATOM 845 N CYS A 56 -12.016 -5.607 -1.043 1.00 0.00 N ATOM 846 CA CYS A 56 -13.192 -4.939 -1.590 1.00 0.00 C ATOM 847 C CYS A 56 -12.782 -3.837 -2.561 1.00 0.00 C ATOM 848 O CYS A 56 -11.616 -3.449 -2.619 1.00 0.00 O ATOM 849 CB CYS A 56 -14.041 -4.349 -0.462 1.00 0.00 C ATOM 850 SG CYS A 56 -13.139 -3.195 0.623 1.00 0.00 S ATOM 0 H CYS A 56 -11.563 -5.104 -0.280 1.00 0.00 H new ATOM 0 HA CYS A 56 -13.783 -5.678 -2.130 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -14.894 -3.829 -0.898 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -14.439 -5.164 0.143 1.00 0.00 H new ATOM 855 N GLN A 57 -13.749 -3.338 -3.325 1.00 0.00 N ATOM 856 CA GLN A 57 -13.486 -2.282 -4.295 1.00 0.00 C ATOM 857 C GLN A 57 -14.345 -1.053 -4.016 1.00 0.00 C ATOM 858 O GLN A 57 -14.842 -0.408 -4.940 1.00 0.00 O ATOM 859 CB GLN A 57 -13.746 -2.790 -5.715 1.00 0.00 C ATOM 860 CG GLN A 57 -13.102 -1.935 -6.795 1.00 0.00 C ATOM 861 CD GLN A 57 -14.102 -1.428 -7.814 1.00 0.00 C ATOM 862 OE1 GLN A 57 -14.426 -2.118 -8.781 1.00 0.00 O ATOM 863 NE2 GLN A 57 -14.600 -0.214 -7.603 1.00 0.00 N ATOM 0 H GLN A 57 -14.720 -3.648 -3.291 1.00 0.00 H new ATOM 0 HA GLN A 57 -12.438 -1.995 -4.204 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -13.373 -3.811 -5.801 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -14.822 -2.828 -5.887 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -12.601 -1.086 -6.330 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -12.334 -2.518 -7.304 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -14.304 0.324 -6.789 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -15.278 0.180 -8.255 1.00 0.00 H new ATOM 872 N CYS A 58 -14.515 -0.731 -2.737 1.00 0.00 N ATOM 873 CA CYS A 58 -15.314 0.424 -2.344 1.00 0.00 C ATOM 874 C CYS A 58 -14.696 1.713 -2.875 1.00 0.00 C ATOM 875 O CYS A 58 -13.497 1.771 -3.149 1.00 0.00 O ATOM 876 CB CYS A 58 -15.436 0.499 -0.820 1.00 0.00 C ATOM 877 SG CYS A 58 -16.100 -1.010 -0.047 1.00 0.00 S ATOM 0 H CYS A 58 -14.112 -1.252 -1.958 1.00 0.00 H new ATOM 0 HA CYS A 58 -16.309 0.307 -2.774 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -14.453 0.707 -0.398 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -16.079 1.340 -0.559 1.00 0.00 H new ATOM 882 N THR A 59 -15.519 2.745 -3.013 1.00 0.00 N ATOM 883 CA THR A 59 -15.051 4.034 -3.508 1.00 0.00 C ATOM 884 C THR A 59 -14.664 4.955 -2.353 1.00 0.00 C ATOM 885 O THR A 59 -13.926 5.921 -2.541 1.00 0.00 O ATOM 886 CB THR A 59 -16.128 4.698 -4.365 1.00 0.00 C ATOM 887 OG1 THR A 59 -16.990 3.727 -4.931 1.00 0.00 O ATOM 888 CG2 THR A 59 -15.564 5.528 -5.499 1.00 0.00 C ATOM 0 H THR A 59 -16.514 2.715 -2.789 1.00 0.00 H new ATOM 0 HA THR A 59 -14.167 3.858 -4.121 1.00 0.00 H new ATOM 0 HB THR A 59 -16.669 5.358 -3.687 1.00 0.00 H new ATOM 0 HG1 THR A 59 -17.673 4.173 -5.474 1.00 0.00 H new ATOM 0 HG21 THR A 59 -16.382 5.971 -6.067 1.00 0.00 H new ATOM 0 HG22 THR A 59 -14.934 6.319 -5.092 1.00 0.00 H new ATOM 0 HG23 THR A 59 -14.969 4.892 -6.155 1.00 0.00 H new ATOM 896 N THR A 60 -15.169 4.653 -1.160 1.00 0.00 N ATOM 897 CA THR A 60 -14.874 5.459 0.019 1.00 0.00 C ATOM 898 C THR A 60 -14.106 4.650 1.060 1.00 0.00 C ATOM 899 O THR A 60 -14.560 3.596 1.503 1.00 0.00 O ATOM 900 CB THR A 60 -16.169 5.997 0.633 1.00 0.00 C ATOM 901 OG1 THR A 60 -16.826 4.988 1.380 1.00 0.00 O ATOM 902 CG2 THR A 60 -17.149 6.520 -0.396 1.00 0.00 C ATOM 0 H THR A 60 -15.783 3.858 -0.985 1.00 0.00 H new ATOM 0 HA THR A 60 -14.251 6.296 -0.296 1.00 0.00 H new ATOM 0 HB THR A 60 -15.863 6.826 1.272 1.00 0.00 H new ATOM 0 HG1 THR A 60 -16.262 4.187 1.415 1.00 0.00 H new ATOM 0 HG21 THR A 60 -18.044 6.886 0.107 1.00 0.00 H new ATOM 0 HG22 THR A 60 -16.689 7.334 -0.956 1.00 0.00 H new ATOM 0 HG23 THR A 60 -17.420 5.717 -1.081 1.00 0.00 H new ATOM 910 N GLY A 61 -12.942 5.159 1.449 1.00 0.00 N ATOM 911 CA GLY A 61 -12.124 4.484 2.440 1.00 0.00 C ATOM 912 C GLY A 61 -11.476 5.461 3.397 1.00 0.00 C ATOM 913 O GLY A 61 -11.886 6.618 3.478 1.00 0.00 O ATOM 0 H GLY A 61 -12.549 6.031 1.094 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -12.740 3.781 3.001 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -11.352 3.902 1.938 1.00 0.00 H new ATOM 917 N VAL A 62 -10.463 5.005 4.129 1.00 0.00 N ATOM 918 CA VAL A 62 -9.774 5.868 5.080 1.00 0.00 C ATOM 919 C VAL A 62 -8.267 5.627 5.076 1.00 0.00 C ATOM 920 O VAL A 62 -7.802 4.488 5.175 1.00 0.00 O ATOM 921 CB VAL A 62 -10.320 5.675 6.510 1.00 0.00 C ATOM 922 CG1 VAL A 62 -10.308 4.203 6.892 1.00 0.00 C ATOM 923 CG2 VAL A 62 -9.527 6.503 7.513 1.00 0.00 C ATOM 0 H VAL A 62 -10.105 4.051 4.082 1.00 0.00 H new ATOM 0 HA VAL A 62 -9.962 6.893 4.762 1.00 0.00 H new ATOM 0 HB VAL A 62 -11.352 6.025 6.530 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -10.696 4.086 7.904 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -10.932 3.642 6.197 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -9.287 3.824 6.850 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -9.932 6.349 8.513 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -8.482 6.195 7.494 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -9.599 7.559 7.251 1.00 0.00 H new ATOM 933 N TYR A 63 -7.511 6.717 4.980 1.00 0.00 N ATOM 934 CA TYR A 63 -6.056 6.653 4.986 1.00 0.00 C ATOM 935 C TYR A 63 -5.520 7.221 6.296 1.00 0.00 C ATOM 936 O TYR A 63 -5.864 8.336 6.683 1.00 0.00 O ATOM 937 CB TYR A 63 -5.478 7.421 3.790 1.00 0.00 C ATOM 938 CG TYR A 63 -5.670 8.922 3.864 1.00 0.00 C ATOM 939 CD1 TYR A 63 -4.839 9.710 4.650 1.00 0.00 C ATOM 940 CD2 TYR A 63 -6.679 9.551 3.142 1.00 0.00 C ATOM 941 CE1 TYR A 63 -5.007 11.080 4.717 1.00 0.00 C ATOM 942 CE2 TYR A 63 -6.853 10.921 3.204 1.00 0.00 C ATOM 943 CZ TYR A 63 -6.015 11.680 3.993 1.00 0.00 C ATOM 944 OH TYR A 63 -6.185 13.044 4.058 1.00 0.00 O ATOM 0 H TYR A 63 -7.887 7.661 4.897 1.00 0.00 H new ATOM 0 HA TYR A 63 -5.748 5.611 4.900 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -4.412 7.206 3.715 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -5.943 7.051 2.876 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -4.048 9.244 5.219 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -7.337 8.959 2.523 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -4.352 11.678 5.333 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -7.641 11.394 2.637 1.00 0.00 H new ATOM 0 HH TYR A 63 -6.654 13.276 4.887 1.00 0.00 H new ATOM 954 N PHE A 64 -4.694 6.445 6.988 1.00 0.00 N ATOM 955 CA PHE A 64 -4.138 6.882 8.265 1.00 0.00 C ATOM 956 C PHE A 64 -2.625 7.038 8.193 1.00 0.00 C ATOM 957 O PHE A 64 -1.949 6.331 7.443 1.00 0.00 O ATOM 958 CB PHE A 64 -4.504 5.886 9.367 1.00 0.00 C ATOM 959 CG PHE A 64 -3.949 4.509 9.139 1.00 0.00 C ATOM 960 CD1 PHE A 64 -4.658 3.576 8.401 1.00 0.00 C ATOM 961 CD2 PHE A 64 -2.717 4.150 9.662 1.00 0.00 C ATOM 962 CE1 PHE A 64 -4.150 2.309 8.188 1.00 0.00 C ATOM 963 CE2 PHE A 64 -2.203 2.884 9.453 1.00 0.00 C ATOM 964 CZ PHE A 64 -2.921 1.962 8.716 1.00 0.00 C ATOM 0 H PHE A 64 -4.395 5.516 6.690 1.00 0.00 H new ATOM 0 HA PHE A 64 -4.567 7.857 8.497 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -4.138 6.263 10.322 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -5.590 5.823 9.443 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -5.619 3.842 7.987 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -2.152 4.867 10.239 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -4.712 1.591 7.610 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -1.241 2.616 9.865 1.00 0.00 H new ATOM 0 HZ PHE A 64 -2.522 0.972 8.553 1.00 0.00 H new ATOM 974 N CYS A 65 -2.099 7.963 8.990 1.00 0.00 N ATOM 975 CA CYS A 65 -0.661 8.212 9.033 1.00 0.00 C ATOM 976 C CYS A 65 -0.127 8.664 7.676 1.00 0.00 C ATOM 977 O CYS A 65 1.064 8.528 7.395 1.00 0.00 O ATOM 978 CB CYS A 65 0.078 6.953 9.488 1.00 0.00 C ATOM 979 SG CYS A 65 -0.012 6.646 11.267 1.00 0.00 S ATOM 0 H CYS A 65 -2.647 8.553 9.616 1.00 0.00 H new ATOM 0 HA CYS A 65 -0.486 9.016 9.748 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -0.334 6.093 8.961 1.00 0.00 H new ATOM 0 HB3 CYS A 65 1.125 7.034 9.197 1.00 0.00 H new ATOM 0 HG CYS A 65 0.587 5.526 11.545 1.00 0.00 H new ATOM 985 N ALA A 66 -1.005 9.207 6.837 1.00 0.00 N ATOM 986 CA ALA A 66 -0.602 9.679 5.516 1.00 0.00 C ATOM 987 C ALA A 66 -0.224 11.155 5.556 1.00 0.00 C ATOM 988 O ALA A 66 0.792 11.562 4.993 1.00 0.00 O ATOM 989 CB ALA A 66 -1.714 9.443 4.505 1.00 0.00 C ATOM 0 H ALA A 66 -1.995 9.331 7.047 1.00 0.00 H new ATOM 0 HA ALA A 66 0.276 9.112 5.207 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -1.397 9.801 3.525 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -1.934 8.377 4.448 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -2.609 9.982 4.816 1.00 0.00 H new ATOM 995 N SER A 67 -1.049 11.952 6.226 1.00 0.00 N ATOM 996 CA SER A 67 -0.802 13.384 6.346 1.00 0.00 C ATOM 997 C SER A 67 -0.595 13.774 7.806 1.00 0.00 C ATOM 998 O SER A 67 0.255 14.604 8.125 1.00 0.00 O ATOM 999 CB SER A 67 -1.969 14.178 5.753 1.00 0.00 C ATOM 1000 OG SER A 67 -1.506 15.321 5.055 1.00 0.00 O ATOM 0 H SER A 67 -1.896 11.630 6.695 1.00 0.00 H new ATOM 0 HA SER A 67 0.105 13.621 5.790 1.00 0.00 H new ATOM 0 HB2 SER A 67 -2.540 13.541 5.077 1.00 0.00 H new ATOM 0 HB3 SER A 67 -2.647 14.484 6.550 1.00 0.00 H new ATOM 0 HG SER A 67 -0.562 15.474 5.268 1.00 0.00 H new ATOM 1006 N LYS A 68 -1.380 13.163 8.687 1.00 0.00 N ATOM 1007 CA LYS A 68 -1.289 13.436 10.116 1.00 0.00 C ATOM 1008 C LYS A 68 -1.067 12.142 10.895 1.00 0.00 C ATOM 1009 O LYS A 68 -0.796 11.095 10.309 1.00 0.00 O ATOM 1010 CB LYS A 68 -2.561 14.132 10.604 1.00 0.00 C ATOM 1011 CG LYS A 68 -2.344 15.582 11.008 1.00 0.00 C ATOM 1012 CD LYS A 68 -2.603 15.796 12.491 1.00 0.00 C ATOM 1013 CE LYS A 68 -1.751 16.924 13.047 1.00 0.00 C ATOM 1014 NZ LYS A 68 -1.734 16.925 14.537 1.00 0.00 N ATOM 0 H LYS A 68 -2.088 12.474 8.435 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.438 14.095 10.288 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -3.313 14.092 9.816 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -2.962 13.582 11.455 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -1.322 15.877 10.771 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -3.005 16.225 10.426 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -3.657 16.023 12.648 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -2.391 14.876 13.035 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -0.732 16.828 12.672 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -2.134 17.879 12.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -1.142 17.710 14.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -2.703 17.042 14.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -1.345 16.024 14.880 1.00 0.00 H new ATOM 1028 N SER A 69 -1.190 12.218 12.216 1.00 0.00 N ATOM 1029 CA SER A 69 -1.011 11.047 13.069 1.00 0.00 C ATOM 1030 C SER A 69 -2.362 10.433 13.422 1.00 0.00 C ATOM 1031 O SER A 69 -2.552 9.905 14.518 1.00 0.00 O ATOM 1032 CB SER A 69 -0.260 11.428 14.345 1.00 0.00 C ATOM 1033 OG SER A 69 -0.547 12.761 14.728 1.00 0.00 O ATOM 0 H SER A 69 -1.413 13.077 12.719 1.00 0.00 H new ATOM 0 HA SER A 69 -0.424 10.310 12.522 1.00 0.00 H new ATOM 0 HB2 SER A 69 -0.537 10.748 15.150 1.00 0.00 H new ATOM 0 HB3 SER A 69 0.813 11.315 14.187 1.00 0.00 H new ATOM 0 HG SER A 69 -0.056 12.979 15.547 1.00 0.00 H new ATOM 1039 N LYS A 70 -3.298 10.521 12.483 1.00 0.00 N ATOM 1040 CA LYS A 70 -4.644 9.994 12.674 1.00 0.00 C ATOM 1041 C LYS A 70 -5.187 9.419 11.370 1.00 0.00 C ATOM 1042 O LYS A 70 -4.584 9.586 10.306 1.00 0.00 O ATOM 1043 CB LYS A 70 -5.586 11.088 13.183 1.00 0.00 C ATOM 1044 CG LYS A 70 -5.033 11.880 14.358 1.00 0.00 C ATOM 1045 CD LYS A 70 -4.514 13.239 13.919 1.00 0.00 C ATOM 1046 CE LYS A 70 -5.619 14.284 13.902 1.00 0.00 C ATOM 1047 NZ LYS A 70 -6.879 13.761 13.303 1.00 0.00 N ATOM 0 H LYS A 70 -3.146 10.957 11.573 1.00 0.00 H new ATOM 0 HA LYS A 70 -4.589 9.199 13.417 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -5.805 11.775 12.365 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -6.531 10.632 13.478 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -5.813 12.012 15.108 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -4.228 11.317 14.831 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -3.720 13.560 14.593 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.075 13.157 12.925 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -5.815 14.620 14.920 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -5.285 15.155 13.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -7.598 14.512 13.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -6.696 13.449 12.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -7.223 12.957 13.866 1.00 0.00 H new ATOM 1061 N HIS A 71 -6.327 8.743 11.459 1.00 0.00 N ATOM 1062 CA HIS A 71 -6.957 8.152 10.285 1.00 0.00 C ATOM 1063 C HIS A 71 -7.798 9.203 9.567 1.00 0.00 C ATOM 1064 O HIS A 71 -8.467 10.015 10.205 1.00 0.00 O ATOM 1065 CB HIS A 71 -7.830 6.964 10.693 1.00 0.00 C ATOM 1066 CG HIS A 71 -7.087 5.907 11.451 1.00 0.00 C ATOM 1067 ND1 HIS A 71 -5.879 5.940 12.063 1.00 0.00 N flip ATOM 1068 CD2 HIS A 71 -7.579 4.634 11.646 1.00 0.00 C flip ATOM 1069 CE1 HIS A 71 -5.667 4.698 12.611 1.00 0.00 C flip ATOM 1070 NE2 HIS A 71 -6.707 3.930 12.345 1.00 0.00 N flip ATOM 0 H HIS A 71 -6.833 8.591 12.331 1.00 0.00 H new ATOM 0 HA HIS A 71 -6.181 7.794 9.608 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -8.657 7.325 11.305 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -8.266 6.519 9.798 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -8.529 4.269 11.284 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -4.792 4.399 13.169 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -6.818 2.957 12.631 1.00 0.00 H new ATOM 1079 N TYR A 72 -7.741 9.201 8.239 1.00 0.00 N ATOM 1080 CA TYR A 72 -8.480 10.176 7.444 1.00 0.00 C ATOM 1081 C TYR A 72 -9.386 9.495 6.417 1.00 0.00 C ATOM 1082 O TYR A 72 -8.901 8.864 5.480 1.00 0.00 O ATOM 1083 CB TYR A 72 -7.494 11.090 6.708 1.00 0.00 C ATOM 1084 CG TYR A 72 -7.223 12.406 7.403 1.00 0.00 C ATOM 1085 CD1 TYR A 72 -6.399 12.470 8.521 1.00 0.00 C ATOM 1086 CD2 TYR A 72 -7.782 13.587 6.931 1.00 0.00 C ATOM 1087 CE1 TYR A 72 -6.142 13.675 9.150 1.00 0.00 C ATOM 1088 CE2 TYR A 72 -7.531 14.794 7.553 1.00 0.00 C ATOM 1089 CZ TYR A 72 -6.710 14.833 8.662 1.00 0.00 C ATOM 1090 OH TYR A 72 -6.458 16.035 9.284 1.00 0.00 O ATOM 0 H TYR A 72 -7.193 8.537 7.692 1.00 0.00 H new ATOM 0 HA TYR A 72 -9.105 10.755 8.124 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -6.551 10.559 6.581 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -7.882 11.293 5.710 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -5.952 11.565 8.905 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -8.424 13.561 6.063 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -5.500 13.709 10.018 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -7.975 15.703 7.174 1.00 0.00 H new ATOM 0 HH TYR A 72 -6.933 16.752 8.815 1.00 0.00 H new ATOM 1100 N PRO A 73 -10.717 9.631 6.560 1.00 0.00 N ATOM 1101 CA PRO A 73 -11.669 9.042 5.620 1.00 0.00 C ATOM 1102 C PRO A 73 -11.696 9.820 4.308 1.00 0.00 C ATOM 1103 O PRO A 73 -11.975 11.019 4.296 1.00 0.00 O ATOM 1104 CB PRO A 73 -13.024 9.153 6.341 1.00 0.00 C ATOM 1105 CG PRO A 73 -12.713 9.643 7.719 1.00 0.00 C ATOM 1106 CD PRO A 73 -11.404 10.371 7.622 1.00 0.00 C ATOM 0 HA PRO A 73 -11.412 8.016 5.358 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -13.688 9.843 5.821 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -13.530 8.188 6.374 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -13.499 10.304 8.083 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -12.645 8.812 8.421 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -11.540 11.421 7.364 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -10.852 10.343 8.561 1.00 0.00 H new ATOM 1114 N VAL A 74 -11.389 9.142 3.207 1.00 0.00 N ATOM 1115 CA VAL A 74 -11.365 9.792 1.903 1.00 0.00 C ATOM 1116 C VAL A 74 -11.957 8.904 0.813 1.00 0.00 C ATOM 1117 O VAL A 74 -12.007 7.681 0.948 1.00 0.00 O ATOM 1118 CB VAL A 74 -9.922 10.182 1.506 1.00 0.00 C ATOM 1119 CG1 VAL A 74 -9.175 8.999 0.906 1.00 0.00 C ATOM 1120 CG2 VAL A 74 -9.925 11.357 0.543 1.00 0.00 C ATOM 0 H VAL A 74 -11.155 8.149 3.192 1.00 0.00 H new ATOM 0 HA VAL A 74 -11.977 10.690 1.991 1.00 0.00 H new ATOM 0 HB VAL A 74 -9.399 10.483 2.414 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -8.164 9.305 0.637 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -9.127 8.191 1.636 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -9.698 8.653 0.015 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -8.899 11.613 0.278 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -10.476 11.088 -0.358 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -10.402 12.215 1.017 1.00 0.00 H new ATOM 1130 N SER A 75 -12.379 9.531 -0.279 1.00 0.00 N ATOM 1131 CA SER A 75 -12.940 8.810 -1.412 1.00 0.00 C ATOM 1132 C SER A 75 -11.893 8.703 -2.513 1.00 0.00 C ATOM 1133 O SER A 75 -11.350 9.713 -2.962 1.00 0.00 O ATOM 1134 CB SER A 75 -14.188 9.520 -1.937 1.00 0.00 C ATOM 1135 OG SER A 75 -15.142 9.705 -0.905 1.00 0.00 O ATOM 0 H SER A 75 -12.342 10.543 -0.402 1.00 0.00 H new ATOM 0 HA SER A 75 -13.228 7.810 -1.088 1.00 0.00 H new ATOM 0 HB2 SER A 75 -13.910 10.487 -2.357 1.00 0.00 H new ATOM 0 HB3 SER A 75 -14.630 8.936 -2.744 1.00 0.00 H new ATOM 0 HG SER A 75 -15.930 10.163 -1.266 1.00 0.00 H new ATOM 1141 N PHE A 76 -11.597 7.481 -2.938 1.00 0.00 N ATOM 1142 CA PHE A 76 -10.596 7.266 -3.978 1.00 0.00 C ATOM 1143 C PHE A 76 -11.156 6.463 -5.143 1.00 0.00 C ATOM 1144 O PHE A 76 -12.173 5.782 -5.022 1.00 0.00 O ATOM 1145 CB PHE A 76 -9.347 6.556 -3.425 1.00 0.00 C ATOM 1146 CG PHE A 76 -9.452 6.107 -1.993 1.00 0.00 C ATOM 1147 CD1 PHE A 76 -10.471 5.264 -1.583 1.00 0.00 C ATOM 1148 CD2 PHE A 76 -8.523 6.530 -1.057 1.00 0.00 C ATOM 1149 CE1 PHE A 76 -10.562 4.853 -0.268 1.00 0.00 C ATOM 1150 CE2 PHE A 76 -8.606 6.125 0.258 1.00 0.00 C ATOM 1151 CZ PHE A 76 -9.628 5.284 0.655 1.00 0.00 C ATOM 0 H PHE A 76 -12.031 6.629 -2.583 1.00 0.00 H new ATOM 0 HA PHE A 76 -10.311 8.255 -4.338 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -9.136 5.687 -4.048 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -8.494 7.229 -3.517 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -11.203 4.924 -2.300 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -7.722 7.187 -1.362 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -11.362 4.196 0.039 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -7.874 6.464 0.976 1.00 0.00 H new ATOM 0 HZ PHE A 76 -9.697 4.964 1.684 1.00 0.00 H new ATOM 1161 N GLU A 77 -10.459 6.544 -6.269 1.00 0.00 N ATOM 1162 CA GLU A 77 -10.841 5.825 -7.474 1.00 0.00 C ATOM 1163 C GLU A 77 -9.811 4.742 -7.763 1.00 0.00 C ATOM 1164 O GLU A 77 -8.683 4.814 -7.277 1.00 0.00 O ATOM 1165 CB GLU A 77 -10.950 6.785 -8.661 1.00 0.00 C ATOM 1166 CG GLU A 77 -12.380 7.181 -8.993 1.00 0.00 C ATOM 1167 CD GLU A 77 -12.467 8.084 -10.208 1.00 0.00 C ATOM 1168 OE1 GLU A 77 -11.848 9.169 -10.185 1.00 0.00 O ATOM 1169 OE2 GLU A 77 -13.153 7.707 -11.181 1.00 0.00 O ATOM 0 H GLU A 77 -9.616 7.109 -6.371 1.00 0.00 H new ATOM 0 HA GLU A 77 -11.817 5.364 -7.320 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -10.374 7.684 -8.445 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -10.498 6.320 -9.537 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -12.970 6.282 -9.170 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -12.821 7.689 -8.135 1.00 0.00 H new ATOM 1176 N GLY A 78 -10.202 3.736 -8.536 1.00 0.00 N ATOM 1177 CA GLY A 78 -9.288 2.653 -8.851 1.00 0.00 C ATOM 1178 C GLY A 78 -8.742 2.724 -10.266 1.00 0.00 C ATOM 1179 O GLY A 78 -9.049 1.864 -11.092 1.00 0.00 O ATOM 0 H GLY A 78 -11.131 3.650 -8.949 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -8.457 2.671 -8.146 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -9.801 1.701 -8.714 1.00 0.00 H new ATOM 1183 N PRO A 79 -7.917 3.740 -10.584 1.00 0.00 N ATOM 1184 CA PRO A 79 -7.336 3.890 -11.921 1.00 0.00 C ATOM 1185 C PRO A 79 -6.334 2.784 -12.238 1.00 0.00 C ATOM 1186 O PRO A 79 -5.492 2.423 -11.407 1.00 0.00 O ATOM 1187 CB PRO A 79 -6.633 5.247 -11.862 1.00 0.00 C ATOM 1188 CG PRO A 79 -6.355 5.470 -10.416 1.00 0.00 C ATOM 1189 CD PRO A 79 -7.489 4.818 -9.675 1.00 0.00 C ATOM 0 HA PRO A 79 -8.093 3.827 -12.703 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -5.712 5.241 -12.445 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -7.264 6.037 -12.270 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -5.398 5.033 -10.130 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -6.300 6.534 -10.188 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -7.166 4.426 -8.711 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -8.298 5.522 -9.478 1.00 0.00 H new ATOM 1197 N GLY A 80 -6.439 2.245 -13.449 1.00 0.00 N ATOM 1198 CA GLY A 80 -5.552 1.182 -13.872 1.00 0.00 C ATOM 1199 C GLY A 80 -4.097 1.602 -13.875 1.00 0.00 C ATOM 1200 O GLY A 80 -3.384 1.392 -12.896 1.00 0.00 O ATOM 0 H GLY A 80 -7.127 2.529 -14.146 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -5.677 0.325 -13.210 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -5.834 0.856 -14.873 1.00 0.00 H new ATOM 1204 N LEU A 81 -3.651 2.187 -14.981 1.00 0.00 N ATOM 1205 CA LEU A 81 -2.265 2.620 -15.101 1.00 0.00 C ATOM 1206 C LEU A 81 -2.082 4.087 -14.729 1.00 0.00 C ATOM 1207 O LEU A 81 -2.647 4.979 -15.363 1.00 0.00 O ATOM 1208 CB LEU A 81 -1.751 2.387 -16.518 1.00 0.00 C ATOM 1209 CG LEU A 81 -0.280 1.967 -16.600 1.00 0.00 C ATOM 1210 CD1 LEU A 81 0.562 2.719 -15.579 1.00 0.00 C ATOM 1211 CD2 LEU A 81 -0.143 0.465 -16.409 1.00 0.00 C ATOM 0 H LEU A 81 -4.226 2.371 -15.803 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.687 2.021 -14.397 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -2.362 1.618 -16.991 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -1.887 3.302 -17.095 1.00 0.00 H new ATOM 0 HG LEU A 81 0.090 2.224 -17.593 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.601 2.401 -15.660 1.00 0.00 H new ATOM 0 HD12 LEU A 81 0.494 3.790 -15.770 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.194 2.505 -14.576 1.00 0.00 H new ATOM 0 HD21 LEU A 81 0.909 0.185 -16.470 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -0.537 0.185 -15.432 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.703 -0.053 -17.188 1.00 0.00 H new ATOM 1223 N VAL A 82 -1.259 4.323 -13.714 1.00 0.00 N ATOM 1224 CA VAL A 82 -0.954 5.674 -13.262 1.00 0.00 C ATOM 1225 C VAL A 82 0.556 5.883 -13.278 1.00 0.00 C ATOM 1226 O VAL A 82 1.302 5.122 -12.660 1.00 0.00 O ATOM 1227 CB VAL A 82 -1.510 5.950 -11.845 1.00 0.00 C ATOM 1228 CG1 VAL A 82 -1.063 7.317 -11.343 1.00 0.00 C ATOM 1229 CG2 VAL A 82 -3.028 5.855 -11.849 1.00 0.00 C ATOM 0 H VAL A 82 -0.788 3.589 -13.185 1.00 0.00 H new ATOM 0 HA VAL A 82 -1.437 6.374 -13.943 1.00 0.00 H new ATOM 0 HB VAL A 82 -1.113 5.194 -11.167 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -1.467 7.488 -10.345 1.00 0.00 H new ATOM 0 HG12 VAL A 82 0.026 7.353 -11.305 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -1.428 8.090 -12.019 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.407 6.051 -10.846 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.437 6.590 -12.542 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -3.329 4.855 -12.162 1.00 0.00 H new ATOM 1239 N GLU A 83 1.005 6.899 -14.004 1.00 0.00 N ATOM 1240 CA GLU A 83 2.430 7.178 -14.113 1.00 0.00 C ATOM 1241 C GLU A 83 2.976 7.750 -12.812 1.00 0.00 C ATOM 1242 O GLU A 83 2.707 8.899 -12.462 1.00 0.00 O ATOM 1243 CB GLU A 83 2.692 8.152 -15.265 1.00 0.00 C ATOM 1244 CG GLU A 83 3.394 7.514 -16.453 1.00 0.00 C ATOM 1245 CD GLU A 83 4.727 8.165 -16.764 1.00 0.00 C ATOM 1246 OE1 GLU A 83 4.738 9.169 -17.508 1.00 0.00 O ATOM 1247 OE2 GLU A 83 5.760 7.672 -16.265 1.00 0.00 O ATOM 0 H GLU A 83 0.406 7.540 -14.524 1.00 0.00 H new ATOM 0 HA GLU A 83 2.944 6.239 -14.316 1.00 0.00 H new ATOM 0 HB2 GLU A 83 1.743 8.573 -15.597 1.00 0.00 H new ATOM 0 HB3 GLU A 83 3.297 8.981 -14.898 1.00 0.00 H new ATOM 0 HG2 GLU A 83 3.550 6.454 -16.251 1.00 0.00 H new ATOM 0 HG3 GLU A 83 2.749 7.580 -17.329 1.00 0.00 H new ATOM 1254 N VAL A 84 3.752 6.937 -12.102 1.00 0.00 N ATOM 1255 CA VAL A 84 4.342 7.359 -10.842 1.00 0.00 C ATOM 1256 C VAL A 84 5.480 8.346 -11.089 1.00 0.00 C ATOM 1257 O VAL A 84 6.508 7.994 -11.669 1.00 0.00 O ATOM 1258 CB VAL A 84 4.859 6.149 -10.025 1.00 0.00 C ATOM 1259 CG1 VAL A 84 5.670 5.209 -10.901 1.00 0.00 C ATOM 1260 CG2 VAL A 84 5.679 6.600 -8.822 1.00 0.00 C ATOM 0 H VAL A 84 3.985 5.984 -12.380 1.00 0.00 H new ATOM 0 HA VAL A 84 3.562 7.851 -10.262 1.00 0.00 H new ATOM 0 HB VAL A 84 3.989 5.608 -9.654 1.00 0.00 H new ATOM 0 HG11 VAL A 84 6.022 4.368 -10.304 1.00 0.00 H new ATOM 0 HG12 VAL A 84 5.045 4.840 -11.715 1.00 0.00 H new ATOM 0 HG13 VAL A 84 6.526 5.744 -11.314 1.00 0.00 H new ATOM 0 HG21 VAL A 84 6.027 5.726 -8.270 1.00 0.00 H new ATOM 0 HG22 VAL A 84 6.537 7.179 -9.163 1.00 0.00 H new ATOM 0 HG23 VAL A 84 5.060 7.218 -8.171 1.00 0.00 H new ATOM 1270 N GLN A 85 5.278 9.582 -10.640 1.00 0.00 N ATOM 1271 CA GLN A 85 6.269 10.642 -10.797 1.00 0.00 C ATOM 1272 C GLN A 85 7.404 10.465 -9.798 1.00 0.00 C ATOM 1273 O GLN A 85 7.202 9.927 -8.710 1.00 0.00 O ATOM 1274 CB GLN A 85 5.615 12.012 -10.609 1.00 0.00 C ATOM 1275 CG GLN A 85 6.484 13.171 -11.068 1.00 0.00 C ATOM 1276 CD GLN A 85 5.724 14.480 -11.135 1.00 0.00 C ATOM 1277 OE1 GLN A 85 4.568 14.562 -10.719 1.00 0.00 O ATOM 1278 NE2 GLN A 85 6.370 15.514 -11.662 1.00 0.00 N ATOM 0 H GLN A 85 4.427 9.876 -10.160 1.00 0.00 H new ATOM 0 HA GLN A 85 6.679 10.582 -11.805 1.00 0.00 H new ATOM 0 HB2 GLN A 85 4.674 12.034 -11.159 1.00 0.00 H new ATOM 0 HB3 GLN A 85 5.371 12.147 -9.555 1.00 0.00 H new ATOM 0 HG2 GLN A 85 7.328 13.280 -10.386 1.00 0.00 H new ATOM 0 HG3 GLN A 85 6.896 12.944 -12.051 1.00 0.00 H new ATOM 0 HE21 GLN A 85 7.328 15.401 -11.994 1.00 0.00 H new ATOM 0 HE22 GLN A 85 5.908 16.421 -11.734 1.00 0.00 H new ATOM 1287 N GLU A 86 8.601 10.909 -10.169 1.00 0.00 N ATOM 1288 CA GLU A 86 9.749 10.775 -9.285 1.00 0.00 C ATOM 1289 C GLU A 86 9.588 11.669 -8.062 1.00 0.00 C ATOM 1290 O GLU A 86 9.822 12.876 -8.121 1.00 0.00 O ATOM 1291 CB GLU A 86 11.038 11.135 -10.026 1.00 0.00 C ATOM 1292 CG GLU A 86 12.300 10.746 -9.274 1.00 0.00 C ATOM 1293 CD GLU A 86 13.555 11.312 -9.910 1.00 0.00 C ATOM 1294 OE1 GLU A 86 13.661 12.551 -10.016 1.00 0.00 O ATOM 1295 OE2 GLU A 86 14.433 10.514 -10.302 1.00 0.00 O ATOM 0 H GLU A 86 8.798 11.358 -11.063 1.00 0.00 H new ATOM 0 HA GLU A 86 9.808 9.737 -8.957 1.00 0.00 H new ATOM 0 HB2 GLU A 86 11.038 10.643 -10.998 1.00 0.00 H new ATOM 0 HB3 GLU A 86 11.052 12.209 -10.212 1.00 0.00 H new ATOM 0 HG2 GLU A 86 12.228 11.098 -8.245 1.00 0.00 H new ATOM 0 HG3 GLU A 86 12.375 9.659 -9.235 1.00 0.00 H new ATOM 1302 N SER A 87 9.189 11.056 -6.952 1.00 0.00 N ATOM 1303 CA SER A 87 8.997 11.779 -5.702 1.00 0.00 C ATOM 1304 C SER A 87 9.395 10.916 -4.508 1.00 0.00 C ATOM 1305 O SER A 87 9.153 9.709 -4.500 1.00 0.00 O ATOM 1306 CB SER A 87 7.540 12.229 -5.565 1.00 0.00 C ATOM 1307 OG SER A 87 7.434 13.640 -5.626 1.00 0.00 O ATOM 0 H SER A 87 8.992 10.057 -6.894 1.00 0.00 H new ATOM 0 HA SER A 87 9.638 12.660 -5.718 1.00 0.00 H new ATOM 0 HB2 SER A 87 6.942 11.782 -6.359 1.00 0.00 H new ATOM 0 HB3 SER A 87 7.133 11.871 -4.619 1.00 0.00 H new ATOM 0 HG SER A 87 6.494 13.902 -5.538 1.00 0.00 H new ATOM 1313 N GLU A 88 9.990 11.541 -3.498 1.00 0.00 N ATOM 1314 CA GLU A 88 10.404 10.829 -2.294 1.00 0.00 C ATOM 1315 C GLU A 88 11.399 9.713 -2.619 1.00 0.00 C ATOM 1316 O GLU A 88 12.607 9.882 -2.452 1.00 0.00 O ATOM 1317 CB GLU A 88 9.180 10.259 -1.571 1.00 0.00 C ATOM 1318 CG GLU A 88 9.398 10.045 -0.082 1.00 0.00 C ATOM 1319 CD GLU A 88 9.254 11.326 0.717 1.00 0.00 C ATOM 1320 OE1 GLU A 88 10.014 12.281 0.450 1.00 0.00 O ATOM 1321 OE2 GLU A 88 8.384 11.373 1.611 1.00 0.00 O ATOM 0 H GLU A 88 10.197 12.540 -3.489 1.00 0.00 H new ATOM 0 HA GLU A 88 10.906 11.540 -1.638 1.00 0.00 H new ATOM 0 HB2 GLU A 88 8.337 10.935 -1.713 1.00 0.00 H new ATOM 0 HB3 GLU A 88 8.907 9.309 -2.030 1.00 0.00 H new ATOM 0 HG2 GLU A 88 8.682 9.310 0.285 1.00 0.00 H new ATOM 0 HG3 GLU A 88 10.393 9.630 0.080 1.00 0.00 H new ATOM 1328 N TYR A 89 10.889 8.574 -3.081 1.00 0.00 N ATOM 1329 CA TYR A 89 11.740 7.439 -3.424 1.00 0.00 C ATOM 1330 C TYR A 89 11.098 6.576 -4.508 1.00 0.00 C ATOM 1331 O TYR A 89 11.431 5.399 -4.653 1.00 0.00 O ATOM 1332 CB TYR A 89 12.023 6.591 -2.182 1.00 0.00 C ATOM 1333 CG TYR A 89 10.811 6.372 -1.305 1.00 0.00 C ATOM 1334 CD1 TYR A 89 9.672 5.750 -1.803 1.00 0.00 C ATOM 1335 CD2 TYR A 89 10.805 6.785 0.022 1.00 0.00 C ATOM 1336 CE1 TYR A 89 8.563 5.547 -1.005 1.00 0.00 C ATOM 1337 CE2 TYR A 89 9.700 6.585 0.826 1.00 0.00 C ATOM 1338 CZ TYR A 89 8.582 5.966 0.309 1.00 0.00 C ATOM 1339 OH TYR A 89 7.478 5.767 1.108 1.00 0.00 O ATOM 0 H TYR A 89 9.892 8.413 -3.226 1.00 0.00 H new ATOM 0 HA TYR A 89 12.680 7.831 -3.811 1.00 0.00 H new ATOM 0 HB2 TYR A 89 12.413 5.623 -2.496 1.00 0.00 H new ATOM 0 HB3 TYR A 89 12.803 7.074 -1.594 1.00 0.00 H new ATOM 0 HD1 TYR A 89 9.654 5.420 -2.831 1.00 0.00 H new ATOM 0 HD2 TYR A 89 11.679 7.270 0.431 1.00 0.00 H new ATOM 0 HE1 TYR A 89 7.686 5.063 -1.408 1.00 0.00 H new ATOM 0 HE2 TYR A 89 9.712 6.912 1.855 1.00 0.00 H new ATOM 0 HH TYR A 89 7.656 6.119 2.005 1.00 0.00 H new ATOM 1349 N TYR A 90 10.182 7.165 -5.271 1.00 0.00 N ATOM 1350 CA TYR A 90 9.503 6.448 -6.344 1.00 0.00 C ATOM 1351 C TYR A 90 9.953 6.979 -7.704 1.00 0.00 C ATOM 1352 O TYR A 90 9.697 8.133 -8.031 1.00 0.00 O ATOM 1353 CB TYR A 90 7.986 6.596 -6.202 1.00 0.00 C ATOM 1354 CG TYR A 90 7.290 5.334 -5.746 1.00 0.00 C ATOM 1355 CD1 TYR A 90 6.880 4.374 -6.663 1.00 0.00 C ATOM 1356 CD2 TYR A 90 7.039 5.104 -4.399 1.00 0.00 C ATOM 1357 CE1 TYR A 90 6.241 3.221 -6.250 1.00 0.00 C ATOM 1358 CE2 TYR A 90 6.402 3.953 -3.979 1.00 0.00 C ATOM 1359 CZ TYR A 90 6.004 3.014 -4.908 1.00 0.00 C ATOM 1360 OH TYR A 90 5.368 1.867 -4.493 1.00 0.00 O ATOM 0 H TYR A 90 9.893 8.138 -5.166 1.00 0.00 H new ATOM 0 HA TYR A 90 9.763 5.392 -6.274 1.00 0.00 H new ATOM 0 HB2 TYR A 90 7.773 7.394 -5.491 1.00 0.00 H new ATOM 0 HB3 TYR A 90 7.569 6.904 -7.161 1.00 0.00 H new ATOM 0 HD1 TYR A 90 7.064 4.532 -7.715 1.00 0.00 H new ATOM 0 HD2 TYR A 90 7.347 5.837 -3.668 1.00 0.00 H new ATOM 0 HE1 TYR A 90 5.928 2.485 -6.976 1.00 0.00 H new ATOM 0 HE2 TYR A 90 6.216 3.789 -2.928 1.00 0.00 H new ATOM 0 HH TYR A 90 4.754 1.562 -5.193 1.00 0.00 H new ATOM 1370 N PRO A 91 10.638 6.147 -8.511 1.00 0.00 N ATOM 1371 CA PRO A 91 11.129 6.551 -9.838 1.00 0.00 C ATOM 1372 C PRO A 91 10.006 6.957 -10.788 1.00 0.00 C ATOM 1373 O PRO A 91 8.897 6.428 -10.718 1.00 0.00 O ATOM 1374 CB PRO A 91 11.838 5.296 -10.365 1.00 0.00 C ATOM 1375 CG PRO A 91 12.115 4.469 -9.157 1.00 0.00 C ATOM 1376 CD PRO A 91 10.998 4.755 -8.197 1.00 0.00 C ATOM 0 HA PRO A 91 11.774 7.427 -9.770 1.00 0.00 H new ATOM 0 HB2 PRO A 91 11.210 4.758 -11.075 1.00 0.00 H new ATOM 0 HB3 PRO A 91 12.760 5.554 -10.886 1.00 0.00 H new ATOM 0 HG2 PRO A 91 12.151 3.409 -9.409 1.00 0.00 H new ATOM 0 HG3 PRO A 91 13.080 4.726 -8.721 1.00 0.00 H new ATOM 0 HD2 PRO A 91 10.157 4.078 -8.344 1.00 0.00 H new ATOM 0 HD3 PRO A 91 11.318 4.645 -7.161 1.00 0.00 H new ATOM 1384 N LYS A 92 10.308 7.898 -11.683 1.00 0.00 N ATOM 1385 CA LYS A 92 9.332 8.373 -12.659 1.00 0.00 C ATOM 1386 C LYS A 92 8.999 7.273 -13.665 1.00 0.00 C ATOM 1387 O LYS A 92 9.405 7.332 -14.825 1.00 0.00 O ATOM 1388 CB LYS A 92 9.871 9.605 -13.392 1.00 0.00 C ATOM 1389 CG LYS A 92 8.924 10.152 -14.448 1.00 0.00 C ATOM 1390 CD LYS A 92 8.161 11.366 -13.941 1.00 0.00 C ATOM 1391 CE LYS A 92 8.065 12.447 -15.005 1.00 0.00 C ATOM 1392 NZ LYS A 92 9.063 13.532 -14.787 1.00 0.00 N ATOM 0 H LYS A 92 11.222 8.346 -11.751 1.00 0.00 H new ATOM 0 HA LYS A 92 8.421 8.647 -12.127 1.00 0.00 H new ATOM 0 HB2 LYS A 92 10.079 10.388 -12.663 1.00 0.00 H new ATOM 0 HB3 LYS A 92 10.819 9.349 -13.865 1.00 0.00 H new ATOM 0 HG2 LYS A 92 9.490 10.423 -15.339 1.00 0.00 H new ATOM 0 HG3 LYS A 92 8.219 9.375 -14.742 1.00 0.00 H new ATOM 0 HD2 LYS A 92 7.159 11.066 -13.635 1.00 0.00 H new ATOM 0 HD3 LYS A 92 8.658 11.767 -13.057 1.00 0.00 H new ATOM 0 HE2 LYS A 92 8.220 12.003 -15.988 1.00 0.00 H new ATOM 0 HE3 LYS A 92 7.061 12.871 -15.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 8.965 14.249 -15.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 8.899 13.973 -13.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 10.023 13.132 -14.816 1.00 0.00 H new ATOM 1406 N ARG A 93 8.269 6.261 -13.205 1.00 0.00 N ATOM 1407 CA ARG A 93 7.892 5.137 -14.059 1.00 0.00 C ATOM 1408 C ARG A 93 6.379 4.938 -14.104 1.00 0.00 C ATOM 1409 O ARG A 93 5.617 5.732 -13.554 1.00 0.00 O ATOM 1410 CB ARG A 93 8.568 3.855 -13.567 1.00 0.00 C ATOM 1411 CG ARG A 93 9.046 2.949 -14.690 1.00 0.00 C ATOM 1412 CD ARG A 93 10.387 2.313 -14.363 1.00 0.00 C ATOM 1413 NE ARG A 93 11.493 3.252 -14.531 1.00 0.00 N ATOM 1414 CZ ARG A 93 12.768 2.885 -14.637 1.00 0.00 C ATOM 1415 NH1 ARG A 93 13.102 1.601 -14.592 1.00 0.00 N ATOM 1416 NH2 ARG A 93 13.712 3.804 -14.788 1.00 0.00 N ATOM 0 H ARG A 93 7.927 6.195 -12.246 1.00 0.00 H new ATOM 0 HA ARG A 93 8.228 5.366 -15.070 1.00 0.00 H new ATOM 0 HB2 ARG A 93 9.418 4.121 -12.939 1.00 0.00 H new ATOM 0 HB3 ARG A 93 7.868 3.303 -12.939 1.00 0.00 H new ATOM 0 HG2 ARG A 93 8.306 2.169 -14.868 1.00 0.00 H new ATOM 0 HG3 ARG A 93 9.131 3.525 -15.612 1.00 0.00 H new ATOM 0 HD2 ARG A 93 10.374 1.948 -13.336 1.00 0.00 H new ATOM 0 HD3 ARG A 93 10.545 1.448 -15.007 1.00 0.00 H new ATOM 0 HE ARG A 93 11.275 4.248 -14.569 1.00 0.00 H new ATOM 0 HH11 ARG A 93 12.380 0.890 -14.476 1.00 0.00 H new ATOM 0 HH12 ARG A 93 14.081 1.325 -14.674 1.00 0.00 H new ATOM 0 HH21 ARG A 93 13.461 4.792 -14.823 1.00 0.00 H new ATOM 0 HH22 ARG A 93 14.689 3.523 -14.869 1.00 0.00 H new ATOM 1430 N TYR A 94 5.958 3.866 -14.769 1.00 0.00 N ATOM 1431 CA TYR A 94 4.541 3.537 -14.898 1.00 0.00 C ATOM 1432 C TYR A 94 4.122 2.517 -13.841 1.00 0.00 C ATOM 1433 O TYR A 94 4.796 1.508 -13.639 1.00 0.00 O ATOM 1434 CB TYR A 94 4.256 2.988 -16.295 1.00 0.00 C ATOM 1435 CG TYR A 94 3.956 4.063 -17.311 1.00 0.00 C ATOM 1436 CD1 TYR A 94 4.963 4.894 -17.784 1.00 0.00 C ATOM 1437 CD2 TYR A 94 2.668 4.252 -17.792 1.00 0.00 C ATOM 1438 CE1 TYR A 94 4.695 5.883 -18.708 1.00 0.00 C ATOM 1439 CE2 TYR A 94 2.391 5.239 -18.717 1.00 0.00 C ATOM 1440 CZ TYR A 94 3.407 6.053 -19.172 1.00 0.00 C ATOM 1441 OH TYR A 94 3.136 7.037 -20.094 1.00 0.00 O ATOM 0 H TYR A 94 6.583 3.205 -15.230 1.00 0.00 H new ATOM 0 HA TYR A 94 3.962 4.448 -14.746 1.00 0.00 H new ATOM 0 HB2 TYR A 94 5.116 2.409 -16.632 1.00 0.00 H new ATOM 0 HB3 TYR A 94 3.411 2.302 -16.242 1.00 0.00 H new ATOM 0 HD1 TYR A 94 5.972 4.764 -17.423 1.00 0.00 H new ATOM 0 HD2 TYR A 94 1.870 3.617 -17.437 1.00 0.00 H new ATOM 0 HE1 TYR A 94 5.490 6.521 -19.066 1.00 0.00 H new ATOM 0 HE2 TYR A 94 1.384 5.373 -19.082 1.00 0.00 H new ATOM 0 HH TYR A 94 2.182 7.022 -20.317 1.00 0.00 H new ATOM 1451 N GLN A 95 3.007 2.786 -13.167 1.00 0.00 N ATOM 1452 CA GLN A 95 2.504 1.888 -12.131 1.00 0.00 C ATOM 1453 C GLN A 95 1.019 1.598 -12.331 1.00 0.00 C ATOM 1454 O GLN A 95 0.210 2.518 -12.445 1.00 0.00 O ATOM 1455 CB GLN A 95 2.734 2.493 -10.744 1.00 0.00 C ATOM 1456 CG GLN A 95 4.156 2.325 -10.235 1.00 0.00 C ATOM 1457 CD GLN A 95 4.261 1.296 -9.127 1.00 0.00 C ATOM 1458 OE1 GLN A 95 4.813 0.212 -9.320 1.00 0.00 O ATOM 1459 NE2 GLN A 95 3.732 1.631 -7.955 1.00 0.00 N ATOM 0 H GLN A 95 2.435 3.617 -13.319 1.00 0.00 H new ATOM 0 HA GLN A 95 3.052 0.949 -12.206 1.00 0.00 H new ATOM 0 HB2 GLN A 95 2.491 3.555 -10.775 1.00 0.00 H new ATOM 0 HB3 GLN A 95 2.047 2.030 -10.036 1.00 0.00 H new ATOM 0 HG2 GLN A 95 4.802 2.030 -11.062 1.00 0.00 H new ATOM 0 HG3 GLN A 95 4.523 3.284 -9.871 1.00 0.00 H new ATOM 0 HE21 GLN A 95 3.284 2.540 -7.839 1.00 0.00 H new ATOM 0 HE22 GLN A 95 3.774 0.979 -7.172 1.00 0.00 H new ATOM 1468 N SER A 96 0.665 0.316 -12.380 1.00 0.00 N ATOM 1469 CA SER A 96 -0.727 -0.082 -12.580 1.00 0.00 C ATOM 1470 C SER A 96 -1.392 -0.509 -11.272 1.00 0.00 C ATOM 1471 O SER A 96 -0.721 -0.831 -10.292 1.00 0.00 O ATOM 1472 CB SER A 96 -0.807 -1.223 -13.596 1.00 0.00 C ATOM 1473 OG SER A 96 -0.537 -2.472 -12.985 1.00 0.00 O ATOM 0 H SER A 96 1.318 -0.461 -12.285 1.00 0.00 H new ATOM 0 HA SER A 96 -1.264 0.787 -12.959 1.00 0.00 H new ATOM 0 HB2 SER A 96 -1.799 -1.243 -14.047 1.00 0.00 H new ATOM 0 HB3 SER A 96 -0.094 -1.047 -14.401 1.00 0.00 H new ATOM 0 HG SER A 96 -1.371 -2.855 -12.641 1.00 0.00 H new ATOM 1479 N HIS A 97 -2.725 -0.516 -11.278 1.00 0.00 N ATOM 1480 CA HIS A 97 -3.508 -0.910 -10.109 1.00 0.00 C ATOM 1481 C HIS A 97 -3.247 0.014 -8.921 1.00 0.00 C ATOM 1482 O HIS A 97 -2.843 -0.440 -7.847 1.00 0.00 O ATOM 1483 CB HIS A 97 -3.192 -2.357 -9.727 1.00 0.00 C ATOM 1484 CG HIS A 97 -3.701 -3.361 -10.713 1.00 0.00 C ATOM 1485 ND1 HIS A 97 -3.040 -4.219 -11.527 1.00 0.00 N flip ATOM 1486 CD2 HIS A 97 -5.043 -3.571 -10.951 1.00 0.00 C flip ATOM 1487 CE1 HIS A 97 -3.985 -4.922 -12.232 1.00 0.00 C flip ATOM 1488 NE2 HIS A 97 -5.185 -4.513 -11.865 1.00 0.00 N flip ATOM 0 H HIS A 97 -3.288 -0.251 -12.086 1.00 0.00 H new ATOM 0 HA HIS A 97 -4.563 -0.827 -10.372 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -2.112 -2.471 -9.629 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -3.625 -2.569 -8.749 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -5.852 -3.046 -10.465 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -3.780 -5.686 -12.968 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -6.072 -4.865 -12.226 1.00 0.00 H new ATOM 1497 N VAL A 98 -3.483 1.310 -9.109 1.00 0.00 N ATOM 1498 CA VAL A 98 -3.269 2.277 -8.035 1.00 0.00 C ATOM 1499 C VAL A 98 -4.538 3.074 -7.743 1.00 0.00 C ATOM 1500 O VAL A 98 -5.291 3.412 -8.653 1.00 0.00 O ATOM 1501 CB VAL A 98 -2.099 3.236 -8.365 1.00 0.00 C ATOM 1502 CG1 VAL A 98 -2.503 4.296 -9.372 1.00 0.00 C ATOM 1503 CG2 VAL A 98 -1.567 3.899 -7.109 1.00 0.00 C ATOM 0 H VAL A 98 -3.819 1.712 -9.984 1.00 0.00 H new ATOM 0 HA VAL A 98 -3.007 1.711 -7.141 1.00 0.00 H new ATOM 0 HB VAL A 98 -1.310 2.629 -8.809 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -1.653 4.947 -9.575 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -2.822 3.816 -10.297 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -3.325 4.887 -8.968 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -0.746 4.567 -7.370 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -2.364 4.472 -6.634 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -1.208 3.136 -6.419 1.00 0.00 H new ATOM 1513 N LEU A 99 -4.759 3.378 -6.467 1.00 0.00 N ATOM 1514 CA LEU A 99 -5.926 4.146 -6.046 1.00 0.00 C ATOM 1515 C LEU A 99 -5.501 5.553 -5.646 1.00 0.00 C ATOM 1516 O LEU A 99 -4.429 5.740 -5.075 1.00 0.00 O ATOM 1517 CB LEU A 99 -6.624 3.457 -4.871 1.00 0.00 C ATOM 1518 CG LEU A 99 -7.485 2.247 -5.242 1.00 0.00 C ATOM 1519 CD1 LEU A 99 -6.677 1.247 -6.056 1.00 0.00 C ATOM 1520 CD2 LEU A 99 -8.046 1.590 -3.990 1.00 0.00 C ATOM 0 H LEU A 99 -4.141 3.102 -5.703 1.00 0.00 H new ATOM 0 HA LEU A 99 -6.626 4.205 -6.880 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -5.866 3.138 -4.156 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -7.253 4.188 -4.364 1.00 0.00 H new ATOM 0 HG LEU A 99 -8.320 2.591 -5.853 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -7.305 0.393 -6.311 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -6.324 1.723 -6.970 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -5.823 0.907 -5.471 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -8.656 0.732 -4.272 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -7.225 1.259 -3.354 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -8.660 2.308 -3.446 1.00 0.00 H new ATOM 1532 N LEU A 100 -6.332 6.546 -5.952 1.00 0.00 N ATOM 1533 CA LEU A 100 -5.997 7.927 -5.617 1.00 0.00 C ATOM 1534 C LEU A 100 -7.163 8.663 -4.957 1.00 0.00 C ATOM 1535 O LEU A 100 -8.316 8.516 -5.359 1.00 0.00 O ATOM 1536 CB LEU A 100 -5.535 8.678 -6.867 1.00 0.00 C ATOM 1537 CG LEU A 100 -4.021 8.886 -6.962 1.00 0.00 C ATOM 1538 CD1 LEU A 100 -3.657 9.595 -8.254 1.00 0.00 C ATOM 1539 CD2 LEU A 100 -3.516 9.676 -5.765 1.00 0.00 C ATOM 0 H LEU A 100 -7.228 6.424 -6.424 1.00 0.00 H new ATOM 0 HA LEU A 100 -5.183 7.896 -4.892 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -5.869 8.130 -7.748 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -6.025 9.652 -6.892 1.00 0.00 H new ATOM 0 HG LEU A 100 -3.541 7.907 -6.960 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -2.577 9.733 -8.301 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -3.984 8.995 -9.103 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -4.149 10.567 -8.286 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -2.438 9.814 -5.849 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -4.006 10.649 -5.739 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -3.741 9.131 -4.848 1.00 0.00 H new ATOM 1551 N ALA A 101 -6.838 9.462 -3.940 1.00 0.00 N ATOM 1552 CA ALA A 101 -7.836 10.239 -3.209 1.00 0.00 C ATOM 1553 C ALA A 101 -7.273 11.594 -2.804 1.00 0.00 C ATOM 1554 O ALA A 101 -6.087 11.718 -2.515 1.00 0.00 O ATOM 1555 CB ALA A 101 -8.296 9.489 -1.973 1.00 0.00 C ATOM 0 H ALA A 101 -5.884 9.587 -3.603 1.00 0.00 H new ATOM 0 HA ALA A 101 -8.689 10.394 -3.869 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -9.039 10.084 -1.442 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -8.737 8.537 -2.268 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -7.443 9.307 -1.320 1.00 0.00 H new ATOM 1561 N THR A 102 -8.127 12.607 -2.777 1.00 0.00 N ATOM 1562 CA THR A 102 -7.697 13.949 -2.402 1.00 0.00 C ATOM 1563 C THR A 102 -8.154 14.300 -0.989 1.00 0.00 C ATOM 1564 O THR A 102 -9.319 14.114 -0.636 1.00 0.00 O ATOM 1565 CB THR A 102 -8.237 14.971 -3.401 1.00 0.00 C ATOM 1566 OG1 THR A 102 -8.113 16.286 -2.889 1.00 0.00 O ATOM 1567 CG2 THR A 102 -9.692 14.748 -3.752 1.00 0.00 C ATOM 0 H THR A 102 -9.117 12.528 -3.009 1.00 0.00 H new ATOM 0 HA THR A 102 -6.607 13.974 -2.419 1.00 0.00 H new ATOM 0 HB THR A 102 -7.638 14.842 -4.302 1.00 0.00 H new ATOM 0 HG1 THR A 102 -8.463 16.926 -3.543 1.00 0.00 H new ATOM 0 HG21 THR A 102 -10.015 15.507 -4.465 1.00 0.00 H new ATOM 0 HG22 THR A 102 -9.812 13.759 -4.195 1.00 0.00 H new ATOM 0 HG23 THR A 102 -10.299 14.817 -2.849 1.00 0.00 H new ATOM 1575 N GLY A 103 -7.224 14.808 -0.184 1.00 0.00 N ATOM 1576 CA GLY A 103 -7.543 15.179 1.183 1.00 0.00 C ATOM 1577 C GLY A 103 -6.987 16.539 1.558 1.00 0.00 C ATOM 1578 O GLY A 103 -6.139 16.648 2.444 1.00 0.00 O ATOM 0 H GLY A 103 -6.254 14.969 -0.455 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -8.625 15.184 1.312 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -7.144 14.426 1.863 1.00 0.00 H new ATOM 1582 N PHE A 104 -7.464 17.578 0.881 1.00 0.00 N ATOM 1583 CA PHE A 104 -7.009 18.938 1.147 1.00 0.00 C ATOM 1584 C PHE A 104 -7.255 19.324 2.601 1.00 0.00 C ATOM 1585 O PHE A 104 -8.349 19.758 2.963 1.00 0.00 O ATOM 1586 CB PHE A 104 -7.719 19.926 0.219 1.00 0.00 C ATOM 1587 CG PHE A 104 -7.011 20.133 -1.091 1.00 0.00 C ATOM 1588 CD1 PHE A 104 -6.808 19.073 -1.959 1.00 0.00 C ATOM 1589 CD2 PHE A 104 -6.548 21.388 -1.451 1.00 0.00 C ATOM 1590 CE1 PHE A 104 -6.157 19.259 -3.163 1.00 0.00 C ATOM 1591 CE2 PHE A 104 -5.896 21.582 -2.654 1.00 0.00 C ATOM 1592 CZ PHE A 104 -5.700 20.516 -3.511 1.00 0.00 C ATOM 0 H PHE A 104 -8.165 17.505 0.144 1.00 0.00 H new ATOM 0 HA PHE A 104 -5.936 18.976 0.958 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -8.730 19.567 0.024 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -7.814 20.886 0.727 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -7.163 18.089 -1.691 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -6.698 22.224 -0.784 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -6.005 18.424 -3.831 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -5.540 22.565 -2.924 1.00 0.00 H new ATOM 0 HZ PHE A 104 -5.190 20.665 -4.451 1.00 0.00 H new ATOM 1602 N SER A 105 -6.231 19.161 3.432 1.00 0.00 N ATOM 1603 CA SER A 105 -6.334 19.491 4.848 1.00 0.00 C ATOM 1604 C SER A 105 -4.963 19.822 5.431 1.00 0.00 C ATOM 1605 O SER A 105 -4.803 20.813 6.142 1.00 0.00 O ATOM 1606 CB SER A 105 -6.962 18.329 5.619 1.00 0.00 C ATOM 1607 OG SER A 105 -8.281 18.072 5.170 1.00 0.00 O ATOM 0 H SER A 105 -5.319 18.802 3.148 1.00 0.00 H new ATOM 0 HA SER A 105 -6.972 20.370 4.945 1.00 0.00 H new ATOM 0 HB2 SER A 105 -6.352 17.434 5.495 1.00 0.00 H new ATOM 0 HB3 SER A 105 -6.976 18.561 6.684 1.00 0.00 H new ATOM 0 HG SER A 105 -8.659 17.324 5.678 1.00 0.00 H new ATOM 1613 N GLU A 106 -3.978 18.985 5.123 1.00 0.00 N ATOM 1614 CA GLU A 106 -2.621 19.188 5.615 1.00 0.00 C ATOM 1615 C GLU A 106 -1.595 18.627 4.631 1.00 0.00 C ATOM 1616 O GLU A 106 -1.899 17.720 3.856 1.00 0.00 O ATOM 1617 CB GLU A 106 -2.449 18.525 6.986 1.00 0.00 C ATOM 1618 CG GLU A 106 -2.389 19.517 8.137 1.00 0.00 C ATOM 1619 CD GLU A 106 -3.627 19.473 9.009 1.00 0.00 C ATOM 1620 OE1 GLU A 106 -3.675 18.631 9.931 1.00 0.00 O ATOM 1621 OE2 GLU A 106 -4.550 20.281 8.773 1.00 0.00 O ATOM 0 H GLU A 106 -4.094 18.160 4.535 1.00 0.00 H new ATOM 0 HA GLU A 106 -2.453 20.260 5.714 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -3.277 17.836 7.154 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -1.535 17.931 6.981 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -1.511 19.306 8.748 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -2.266 20.524 7.738 1.00 0.00 H new ATOM 1628 N PRO A 107 -0.363 19.162 4.650 1.00 0.00 N ATOM 1629 CA PRO A 107 0.709 18.711 3.754 1.00 0.00 C ATOM 1630 C PRO A 107 0.902 17.199 3.802 1.00 0.00 C ATOM 1631 O PRO A 107 0.819 16.586 4.867 1.00 0.00 O ATOM 1632 CB PRO A 107 1.949 19.426 4.294 1.00 0.00 C ATOM 1633 CG PRO A 107 1.421 20.641 4.975 1.00 0.00 C ATOM 1634 CD PRO A 107 0.085 20.248 5.544 1.00 0.00 C ATOM 0 HA PRO A 107 0.492 18.939 2.710 1.00 0.00 H new ATOM 0 HB2 PRO A 107 2.501 18.792 4.988 1.00 0.00 H new ATOM 0 HB3 PRO A 107 2.635 19.690 3.489 1.00 0.00 H new ATOM 0 HG2 PRO A 107 2.098 20.973 5.762 1.00 0.00 H new ATOM 0 HG3 PRO A 107 1.318 21.469 4.273 1.00 0.00 H new ATOM 0 HD2 PRO A 107 0.172 19.908 6.576 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -0.614 21.084 5.542 1.00 0.00 H new ATOM 1642 N GLY A 108 1.159 16.603 2.642 1.00 0.00 N ATOM 1643 CA GLY A 108 1.360 15.167 2.575 1.00 0.00 C ATOM 1644 C GLY A 108 2.563 14.784 1.735 1.00 0.00 C ATOM 1645 O GLY A 108 3.110 15.614 1.009 1.00 0.00 O ATOM 0 H GLY A 108 1.232 17.088 1.748 1.00 0.00 H new ATOM 0 HA2 GLY A 108 1.486 14.774 3.584 1.00 0.00 H new ATOM 0 HA3 GLY A 108 0.468 14.698 2.160 1.00 0.00 H new ATOM 1649 N ASP A 109 2.974 13.525 1.836 1.00 0.00 N ATOM 1650 CA ASP A 109 4.119 13.031 1.080 1.00 0.00 C ATOM 1651 C ASP A 109 4.236 11.515 1.199 1.00 0.00 C ATOM 1652 O ASP A 109 4.224 10.801 0.197 1.00 0.00 O ATOM 1653 CB ASP A 109 5.407 13.696 1.572 1.00 0.00 C ATOM 1654 CG ASP A 109 6.323 14.098 0.433 1.00 0.00 C ATOM 1655 OD1 ASP A 109 6.024 15.106 -0.242 1.00 0.00 O ATOM 1656 OD2 ASP A 109 7.338 13.404 0.214 1.00 0.00 O ATOM 0 H ASP A 109 2.531 12.828 2.434 1.00 0.00 H new ATOM 0 HA ASP A 109 3.967 13.283 0.031 1.00 0.00 H new ATOM 0 HB2 ASP A 109 5.155 14.578 2.160 1.00 0.00 H new ATOM 0 HB3 ASP A 109 5.936 13.011 2.235 1.00 0.00 H new ATOM 1661 N ALA A 110 4.347 11.032 2.432 1.00 0.00 N ATOM 1662 CA ALA A 110 4.465 9.601 2.684 1.00 0.00 C ATOM 1663 C ALA A 110 3.493 9.156 3.772 1.00 0.00 C ATOM 1664 O ALA A 110 3.168 9.922 4.680 1.00 0.00 O ATOM 1665 CB ALA A 110 5.892 9.248 3.074 1.00 0.00 C ATOM 0 H ALA A 110 4.358 11.611 3.272 1.00 0.00 H new ATOM 0 HA ALA A 110 4.211 9.073 1.765 1.00 0.00 H new ATOM 0 HB1 ALA A 110 5.964 8.176 3.259 1.00 0.00 H new ATOM 0 HB2 ALA A 110 6.569 9.523 2.265 1.00 0.00 H new ATOM 0 HB3 ALA A 110 6.167 9.791 3.978 1.00 0.00 H new ATOM 1671 N GLY A 111 3.029 7.915 3.672 1.00 0.00 N ATOM 1672 CA GLY A 111 2.097 7.393 4.655 1.00 0.00 C ATOM 1673 C GLY A 111 2.298 5.913 4.918 1.00 0.00 C ATOM 1674 O GLY A 111 3.398 5.388 4.744 1.00 0.00 O ATOM 0 H GLY A 111 3.281 7.262 2.930 1.00 0.00 H new ATOM 0 HA2 GLY A 111 2.213 7.944 5.589 1.00 0.00 H new ATOM 0 HA3 GLY A 111 1.077 7.562 4.309 1.00 0.00 H new ATOM 1678 N GLY A 112 1.232 5.240 5.338 1.00 0.00 N ATOM 1679 CA GLY A 112 1.315 3.819 5.619 1.00 0.00 C ATOM 1680 C GLY A 112 0.519 2.986 4.634 1.00 0.00 C ATOM 1681 O GLY A 112 0.903 2.850 3.472 1.00 0.00 O ATOM 0 H GLY A 112 0.312 5.654 5.489 1.00 0.00 H new ATOM 0 HA2 GLY A 112 2.359 3.507 5.593 1.00 0.00 H new ATOM 0 HA3 GLY A 112 0.950 3.629 6.629 1.00 0.00 H new ATOM 1685 N ILE A 113 -0.593 2.427 5.099 1.00 0.00 N ATOM 1686 CA ILE A 113 -1.446 1.603 4.252 1.00 0.00 C ATOM 1687 C ILE A 113 -2.887 2.099 4.267 1.00 0.00 C ATOM 1688 O ILE A 113 -3.372 2.598 5.283 1.00 0.00 O ATOM 1689 CB ILE A 113 -1.415 0.122 4.685 1.00 0.00 C ATOM 1690 CG1 ILE A 113 -1.945 -0.033 6.112 1.00 0.00 C ATOM 1691 CG2 ILE A 113 -0.003 -0.431 4.575 1.00 0.00 C ATOM 1692 CD1 ILE A 113 -2.363 -1.448 6.450 1.00 0.00 C ATOM 0 H ILE A 113 -0.924 2.530 6.058 1.00 0.00 H new ATOM 0 HA ILE A 113 -1.051 1.683 3.239 1.00 0.00 H new ATOM 0 HB ILE A 113 -2.062 -0.447 4.018 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -1.175 0.288 6.814 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -2.798 0.632 6.249 1.00 0.00 H new ATOM 0 HG21 ILE A 113 0.003 -1.476 4.884 1.00 0.00 H new ATOM 0 HG22 ILE A 113 0.338 -0.355 3.542 1.00 0.00 H new ATOM 0 HG23 ILE A 113 0.663 0.142 5.220 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -2.728 -1.484 7.476 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -3.155 -1.765 5.772 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -1.507 -2.115 6.346 1.00 0.00 H new ATOM 1704 N LEU A 114 -3.571 1.953 3.136 1.00 0.00 N ATOM 1705 CA LEU A 114 -4.960 2.382 3.024 1.00 0.00 C ATOM 1706 C LEU A 114 -5.892 1.263 3.474 1.00 0.00 C ATOM 1707 O LEU A 114 -5.847 0.153 2.939 1.00 0.00 O ATOM 1708 CB LEU A 114 -5.277 2.786 1.581 1.00 0.00 C ATOM 1709 CG LEU A 114 -6.765 2.947 1.255 1.00 0.00 C ATOM 1710 CD1 LEU A 114 -7.446 3.843 2.277 1.00 0.00 C ATOM 1711 CD2 LEU A 114 -6.944 3.505 -0.148 1.00 0.00 C ATOM 0 H LEU A 114 -3.186 1.541 2.286 1.00 0.00 H new ATOM 0 HA LEU A 114 -5.112 3.247 3.669 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -4.772 3.727 1.366 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -4.855 2.037 0.911 1.00 0.00 H new ATOM 0 HG LEU A 114 -7.234 1.964 1.298 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -8.502 3.944 2.026 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -7.349 3.402 3.269 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -6.976 4.826 2.269 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -8.007 3.613 -0.364 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -6.459 4.479 -0.217 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -6.495 2.824 -0.871 1.00 0.00 H new ATOM 1723 N ARG A 115 -6.722 1.555 4.473 1.00 0.00 N ATOM 1724 CA ARG A 115 -7.646 0.559 5.005 1.00 0.00 C ATOM 1725 C ARG A 115 -9.103 0.978 4.831 1.00 0.00 C ATOM 1726 O ARG A 115 -9.465 2.135 5.046 1.00 0.00 O ATOM 1727 CB ARG A 115 -7.351 0.307 6.485 1.00 0.00 C ATOM 1728 CG ARG A 115 -6.470 -0.907 6.730 1.00 0.00 C ATOM 1729 CD ARG A 115 -5.991 -0.966 8.172 1.00 0.00 C ATOM 1730 NE ARG A 115 -7.068 -1.327 9.092 1.00 0.00 N ATOM 1731 CZ ARG A 115 -6.904 -1.476 10.404 1.00 0.00 C ATOM 1732 NH1 ARG A 115 -5.710 -1.297 10.954 1.00 0.00 N ATOM 1733 NH2 ARG A 115 -7.936 -1.805 11.168 1.00 0.00 N ATOM 0 H ARG A 115 -6.773 2.467 4.927 1.00 0.00 H new ATOM 0 HA ARG A 115 -7.497 -0.360 4.438 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -6.867 1.188 6.906 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -8.293 0.176 7.018 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -7.025 -1.815 6.492 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -5.610 -0.875 6.061 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -5.183 -1.693 8.256 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -5.580 0.002 8.457 1.00 0.00 H new ATOM 0 HE ARG A 115 -8.000 -1.473 8.705 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -4.913 -1.044 10.371 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -5.590 -1.412 11.960 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -8.856 -1.944 10.750 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -7.810 -1.919 12.174 1.00 0.00 H new ATOM 1747 N CYS A 116 -9.932 0.011 4.458 1.00 0.00 N ATOM 1748 CA CYS A 116 -11.359 0.229 4.268 1.00 0.00 C ATOM 1749 C CYS A 116 -12.131 -0.394 5.427 1.00 0.00 C ATOM 1750 O CYS A 116 -11.576 -1.179 6.197 1.00 0.00 O ATOM 1751 CB CYS A 116 -11.810 -0.392 2.942 1.00 0.00 C ATOM 1752 SG CYS A 116 -13.470 0.119 2.387 1.00 0.00 S ATOM 0 H CYS A 116 -9.633 -0.947 4.279 1.00 0.00 H new ATOM 0 HA CYS A 116 -11.559 1.300 4.241 1.00 0.00 H new ATOM 0 HB2 CYS A 116 -11.087 -0.130 2.169 1.00 0.00 H new ATOM 0 HB3 CYS A 116 -11.793 -1.477 3.040 1.00 0.00 H new ATOM 1757 N GLU A 117 -13.408 -0.051 5.552 1.00 0.00 N ATOM 1758 CA GLU A 117 -14.237 -0.591 6.625 1.00 0.00 C ATOM 1759 C GLU A 117 -14.233 -2.122 6.605 1.00 0.00 C ATOM 1760 O GLU A 117 -14.560 -2.763 7.603 1.00 0.00 O ATOM 1761 CB GLU A 117 -15.670 -0.074 6.499 1.00 0.00 C ATOM 1762 CG GLU A 117 -15.797 1.427 6.710 1.00 0.00 C ATOM 1763 CD GLU A 117 -17.010 2.012 6.015 1.00 0.00 C ATOM 1764 OE1 GLU A 117 -18.133 1.532 6.278 1.00 0.00 O ATOM 1765 OE2 GLU A 117 -16.838 2.950 5.209 1.00 0.00 O ATOM 0 H GLU A 117 -13.891 0.595 4.928 1.00 0.00 H new ATOM 0 HA GLU A 117 -13.818 -0.258 7.574 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -16.053 -0.327 5.510 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -16.298 -0.589 7.226 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -15.859 1.636 7.778 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -14.898 1.920 6.340 1.00 0.00 H new ATOM 1772 N HIS A 118 -13.866 -2.700 5.463 1.00 0.00 N ATOM 1773 CA HIS A 118 -13.827 -4.150 5.317 1.00 0.00 C ATOM 1774 C HIS A 118 -12.460 -4.717 5.708 1.00 0.00 C ATOM 1775 O HIS A 118 -12.372 -5.806 6.275 1.00 0.00 O ATOM 1776 CB HIS A 118 -14.165 -4.541 3.876 1.00 0.00 C ATOM 1777 CG HIS A 118 -15.468 -3.981 3.395 1.00 0.00 C ATOM 1778 ND1 HIS A 118 -15.661 -2.642 3.129 1.00 0.00 N ATOM 1779 CD2 HIS A 118 -16.650 -4.588 3.129 1.00 0.00 C ATOM 1780 CE1 HIS A 118 -16.902 -2.447 2.722 1.00 0.00 C ATOM 1781 NE2 HIS A 118 -17.523 -3.612 2.712 1.00 0.00 N ATOM 0 H HIS A 118 -13.592 -2.185 4.626 1.00 0.00 H new ATOM 0 HA HIS A 118 -14.570 -4.575 5.992 1.00 0.00 H new ATOM 0 HB2 HIS A 118 -13.366 -4.198 3.218 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -14.196 -5.628 3.801 1.00 0.00 H new ATOM 0 HD1 HIS A 118 -14.954 -1.914 3.231 1.00 0.00 H new ATOM 0 HD2 HIS A 118 -16.866 -5.642 3.226 1.00 0.00 H new ATOM 0 HE1 HIS A 118 -17.335 -1.497 2.445 1.00 0.00 H new ATOM 1789 N GLY A 119 -11.397 -3.976 5.402 1.00 0.00 N ATOM 1790 CA GLY A 119 -10.053 -4.431 5.732 1.00 0.00 C ATOM 1791 C GLY A 119 -8.977 -3.586 5.081 1.00 0.00 C ATOM 1792 O GLY A 119 -9.115 -2.372 4.969 1.00 0.00 O ATOM 0 H GLY A 119 -11.440 -3.071 4.933 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -9.922 -4.410 6.814 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -9.936 -5.468 5.417 1.00 0.00 H new ATOM 1796 N VAL A 120 -7.903 -4.235 4.650 1.00 0.00 N ATOM 1797 CA VAL A 120 -6.795 -3.544 3.999 1.00 0.00 C ATOM 1798 C VAL A 120 -7.014 -3.475 2.490 1.00 0.00 C ATOM 1799 O VAL A 120 -7.397 -4.464 1.868 1.00 0.00 O ATOM 1800 CB VAL A 120 -5.447 -4.248 4.267 1.00 0.00 C ATOM 1801 CG1 VAL A 120 -4.288 -3.322 3.955 1.00 0.00 C ATOM 1802 CG2 VAL A 120 -5.363 -4.747 5.702 1.00 0.00 C ATOM 0 H VAL A 120 -7.775 -5.243 4.740 1.00 0.00 H new ATOM 0 HA VAL A 120 -6.761 -2.539 4.418 1.00 0.00 H new ATOM 0 HB VAL A 120 -5.385 -5.113 3.607 1.00 0.00 H new ATOM 0 HG11 VAL A 120 -3.348 -3.837 4.151 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -4.329 -3.028 2.906 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -4.352 -2.434 4.584 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -4.403 -5.238 5.861 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -5.457 -3.904 6.386 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -6.169 -5.457 5.888 1.00 0.00 H new ATOM 1812 N ILE A 121 -6.771 -2.308 1.902 1.00 0.00 N ATOM 1813 CA ILE A 121 -6.944 -2.140 0.465 1.00 0.00 C ATOM 1814 C ILE A 121 -5.596 -2.066 -0.244 1.00 0.00 C ATOM 1815 O ILE A 121 -5.350 -2.802 -1.201 1.00 0.00 O ATOM 1816 CB ILE A 121 -7.773 -0.876 0.129 1.00 0.00 C ATOM 1817 CG1 ILE A 121 -9.237 -1.088 0.533 1.00 0.00 C ATOM 1818 CG2 ILE A 121 -7.662 -0.541 -1.358 1.00 0.00 C ATOM 1819 CD1 ILE A 121 -10.199 -0.090 -0.079 1.00 0.00 C ATOM 0 H ILE A 121 -6.456 -1.472 2.394 1.00 0.00 H new ATOM 0 HA ILE A 121 -7.489 -3.014 0.110 1.00 0.00 H new ATOM 0 HB ILE A 121 -7.375 -0.033 0.694 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -9.541 -2.094 0.243 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -9.315 -1.032 1.619 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -8.251 0.350 -1.575 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -6.618 -0.357 -1.613 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -8.037 -1.377 -1.948 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -11.213 -0.309 0.256 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -9.924 0.918 0.231 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -10.153 -0.160 -1.166 1.00 0.00 H new ATOM 1831 N GLY A 122 -4.728 -1.173 0.220 1.00 0.00 N ATOM 1832 CA GLY A 122 -3.426 -1.032 -0.404 1.00 0.00 C ATOM 1833 C GLY A 122 -2.416 -0.321 0.474 1.00 0.00 C ATOM 1834 O GLY A 122 -2.695 -0.008 1.631 1.00 0.00 O ATOM 0 H GLY A 122 -4.900 -0.550 1.009 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -3.044 -2.020 -0.659 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -3.536 -0.482 -1.339 1.00 0.00 H new ATOM 1838 N LEU A 123 -1.237 -0.065 -0.087 1.00 0.00 N ATOM 1839 CA LEU A 123 -0.171 0.616 0.640 1.00 0.00 C ATOM 1840 C LEU A 123 0.240 1.899 -0.076 1.00 0.00 C ATOM 1841 O LEU A 123 -0.090 2.103 -1.244 1.00 0.00 O ATOM 1842 CB LEU A 123 1.048 -0.300 0.823 1.00 0.00 C ATOM 1843 CG LEU A 123 1.258 -1.367 -0.259 1.00 0.00 C ATOM 1844 CD1 LEU A 123 0.184 -2.441 -0.175 1.00 0.00 C ATOM 1845 CD2 LEU A 123 1.282 -0.736 -1.643 1.00 0.00 C ATOM 0 H LEU A 123 -0.996 -0.320 -1.045 1.00 0.00 H new ATOM 0 HA LEU A 123 -0.557 0.874 1.626 1.00 0.00 H new ATOM 0 HB2 LEU A 123 1.941 0.323 0.869 1.00 0.00 H new ATOM 0 HB3 LEU A 123 0.959 -0.801 1.787 1.00 0.00 H new ATOM 0 HG LEU A 123 2.225 -1.840 -0.085 1.00 0.00 H new ATOM 0 HD11 LEU A 123 0.353 -3.187 -0.952 1.00 0.00 H new ATOM 0 HD12 LEU A 123 0.225 -2.920 0.803 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -0.797 -1.987 -0.316 1.00 0.00 H new ATOM 0 HD21 LEU A 123 1.432 -1.512 -2.394 1.00 0.00 H new ATOM 0 HD22 LEU A 123 0.335 -0.230 -1.829 1.00 0.00 H new ATOM 0 HD23 LEU A 123 2.096 -0.014 -1.700 1.00 0.00 H new ATOM 1857 N VAL A 124 0.953 2.764 0.637 1.00 0.00 N ATOM 1858 CA VAL A 124 1.404 4.035 0.081 1.00 0.00 C ATOM 1859 C VAL A 124 2.211 3.838 -1.201 1.00 0.00 C ATOM 1860 O VAL A 124 3.183 3.083 -1.227 1.00 0.00 O ATOM 1861 CB VAL A 124 2.258 4.816 1.100 1.00 0.00 C ATOM 1862 CG1 VAL A 124 3.525 4.046 1.443 1.00 0.00 C ATOM 1863 CG2 VAL A 124 2.591 6.203 0.570 1.00 0.00 C ATOM 0 H VAL A 124 1.232 2.607 1.605 1.00 0.00 H new ATOM 0 HA VAL A 124 0.507 4.608 -0.154 1.00 0.00 H new ATOM 0 HB VAL A 124 1.677 4.934 2.015 1.00 0.00 H new ATOM 0 HG11 VAL A 124 4.113 4.615 2.163 1.00 0.00 H new ATOM 0 HG12 VAL A 124 3.259 3.081 1.874 1.00 0.00 H new ATOM 0 HG13 VAL A 124 4.112 3.890 0.538 1.00 0.00 H new ATOM 0 HG21 VAL A 124 3.194 6.738 1.304 1.00 0.00 H new ATOM 0 HG22 VAL A 124 3.149 6.112 -0.362 1.00 0.00 H new ATOM 0 HG23 VAL A 124 1.668 6.754 0.388 1.00 0.00 H new ATOM 1873 N THR A 125 1.806 4.537 -2.258 1.00 0.00 N ATOM 1874 CA THR A 125 2.491 4.458 -3.544 1.00 0.00 C ATOM 1875 C THR A 125 3.000 5.844 -3.954 1.00 0.00 C ATOM 1876 O THR A 125 4.119 6.220 -3.605 1.00 0.00 O ATOM 1877 CB THR A 125 1.560 3.863 -4.612 1.00 0.00 C ATOM 1878 OG1 THR A 125 1.465 2.459 -4.455 1.00 0.00 O ATOM 1879 CG2 THR A 125 2.007 4.131 -6.035 1.00 0.00 C ATOM 0 H THR A 125 1.004 5.167 -2.248 1.00 0.00 H new ATOM 0 HA THR A 125 3.352 3.796 -3.450 1.00 0.00 H new ATOM 0 HB THR A 125 0.600 4.355 -4.459 1.00 0.00 H new ATOM 0 HG1 THR A 125 2.354 2.058 -4.550 1.00 0.00 H new ATOM 0 HG21 THR A 125 1.299 3.680 -6.730 1.00 0.00 H new ATOM 0 HG22 THR A 125 2.049 5.207 -6.207 1.00 0.00 H new ATOM 0 HG23 THR A 125 2.996 3.700 -6.193 1.00 0.00 H new ATOM 1887 N MET A 126 2.183 6.608 -4.683 1.00 0.00 N ATOM 1888 CA MET A 126 2.591 7.946 -5.107 1.00 0.00 C ATOM 1889 C MET A 126 1.607 9.006 -4.620 1.00 0.00 C ATOM 1890 O MET A 126 0.407 8.917 -4.869 1.00 0.00 O ATOM 1891 CB MET A 126 2.720 8.014 -6.629 1.00 0.00 C ATOM 1892 CG MET A 126 4.074 8.520 -7.100 1.00 0.00 C ATOM 1893 SD MET A 126 4.558 10.070 -6.317 1.00 0.00 S ATOM 1894 CE MET A 126 6.117 9.590 -5.578 1.00 0.00 C ATOM 0 H MET A 126 1.251 6.328 -4.987 1.00 0.00 H new ATOM 0 HA MET A 126 3.564 8.150 -4.659 1.00 0.00 H new ATOM 0 HB2 MET A 126 2.547 7.022 -7.045 1.00 0.00 H new ATOM 0 HB3 MET A 126 1.940 8.666 -7.023 1.00 0.00 H new ATOM 0 HG2 MET A 126 4.831 7.763 -6.893 1.00 0.00 H new ATOM 0 HG3 MET A 126 4.048 8.658 -8.181 1.00 0.00 H new ATOM 0 HE1 MET A 126 6.278 10.163 -4.665 1.00 0.00 H new ATOM 0 HE2 MET A 126 6.095 8.526 -5.340 1.00 0.00 H new ATOM 0 HE3 MET A 126 6.928 9.788 -6.279 1.00 0.00 H new ATOM 1904 N GLY A 127 2.127 10.013 -3.924 1.00 0.00 N ATOM 1905 CA GLY A 127 1.281 11.078 -3.417 1.00 0.00 C ATOM 1906 C GLY A 127 1.512 12.396 -4.131 1.00 0.00 C ATOM 1907 O GLY A 127 2.648 12.854 -4.250 1.00 0.00 O ATOM 0 H GLY A 127 3.118 10.110 -3.702 1.00 0.00 H new ATOM 0 HA2 GLY A 127 0.236 10.789 -3.525 1.00 0.00 H new ATOM 0 HA3 GLY A 127 1.467 11.209 -2.351 1.00 0.00 H new ATOM 1911 N GLY A 128 0.431 13.007 -4.608 1.00 0.00 N ATOM 1912 CA GLY A 128 0.543 14.275 -5.307 1.00 0.00 C ATOM 1913 C GLY A 128 0.585 15.459 -4.360 1.00 0.00 C ATOM 1914 O GLY A 128 0.896 15.305 -3.179 1.00 0.00 O ATOM 0 H GLY A 128 -0.520 12.647 -4.523 1.00 0.00 H new ATOM 0 HA2 GLY A 128 1.445 14.271 -5.918 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -0.302 14.387 -5.987 1.00 0.00 H new ATOM 1918 N GLU A 129 0.274 16.642 -4.879 1.00 0.00 N ATOM 1919 CA GLU A 129 0.279 17.855 -4.069 1.00 0.00 C ATOM 1920 C GLU A 129 -0.897 17.874 -3.095 1.00 0.00 C ATOM 1921 O GLU A 129 -0.882 18.604 -2.105 1.00 0.00 O ATOM 1922 CB GLU A 129 0.228 19.091 -4.969 1.00 0.00 C ATOM 1923 CG GLU A 129 1.256 19.072 -6.088 1.00 0.00 C ATOM 1924 CD GLU A 129 1.061 20.204 -7.079 1.00 0.00 C ATOM 1925 OE1 GLU A 129 0.722 21.324 -6.642 1.00 0.00 O ATOM 1926 OE2 GLU A 129 1.248 19.970 -8.291 1.00 0.00 O ATOM 0 H GLU A 129 0.016 16.787 -5.855 1.00 0.00 H new ATOM 0 HA GLU A 129 1.202 17.868 -3.490 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -0.768 19.173 -5.404 1.00 0.00 H new ATOM 0 HB3 GLU A 129 0.384 19.981 -4.359 1.00 0.00 H new ATOM 0 HG2 GLU A 129 2.256 19.138 -5.659 1.00 0.00 H new ATOM 0 HG3 GLU A 129 1.197 18.119 -6.614 1.00 0.00 H new ATOM 1933 N GLY A 130 -1.915 17.066 -3.381 1.00 0.00 N ATOM 1934 CA GLY A 130 -3.080 17.007 -2.516 1.00 0.00 C ATOM 1935 C GLY A 130 -3.866 15.719 -2.680 1.00 0.00 C ATOM 1936 O GLY A 130 -5.043 15.655 -2.320 1.00 0.00 O ATOM 0 H GLY A 130 -1.954 16.452 -4.195 1.00 0.00 H new ATOM 0 HA2 GLY A 130 -2.762 17.104 -1.478 1.00 0.00 H new ATOM 0 HA3 GLY A 130 -3.730 17.855 -2.731 1.00 0.00 H new ATOM 1940 N VAL A 131 -3.219 14.691 -3.221 1.00 0.00 N ATOM 1941 CA VAL A 131 -3.869 13.402 -3.428 1.00 0.00 C ATOM 1942 C VAL A 131 -3.023 12.270 -2.850 1.00 0.00 C ATOM 1943 O VAL A 131 -1.813 12.413 -2.679 1.00 0.00 O ATOM 1944 CB VAL A 131 -4.136 13.125 -4.925 1.00 0.00 C ATOM 1945 CG1 VAL A 131 -5.366 12.249 -5.097 1.00 0.00 C ATOM 1946 CG2 VAL A 131 -4.293 14.424 -5.703 1.00 0.00 C ATOM 0 H VAL A 131 -2.246 14.726 -3.524 1.00 0.00 H new ATOM 0 HA VAL A 131 -4.827 13.445 -2.909 1.00 0.00 H new ATOM 0 HB VAL A 131 -3.273 12.593 -5.326 1.00 0.00 H new ATOM 0 HG11 VAL A 131 -5.537 12.066 -6.158 1.00 0.00 H new ATOM 0 HG12 VAL A 131 -5.211 11.299 -4.585 1.00 0.00 H new ATOM 0 HG13 VAL A 131 -6.234 12.753 -4.672 1.00 0.00 H new ATOM 0 HG21 VAL A 131 -4.480 14.199 -6.753 1.00 0.00 H new ATOM 0 HG22 VAL A 131 -5.131 14.991 -5.299 1.00 0.00 H new ATOM 0 HG23 VAL A 131 -3.380 15.013 -5.615 1.00 0.00 H new ATOM 1956 N VAL A 132 -3.669 11.149 -2.544 1.00 0.00 N ATOM 1957 CA VAL A 132 -2.979 9.996 -1.978 1.00 0.00 C ATOM 1958 C VAL A 132 -3.021 8.806 -2.930 1.00 0.00 C ATOM 1959 O VAL A 132 -4.093 8.298 -3.249 1.00 0.00 O ATOM 1960 CB VAL A 132 -3.606 9.582 -0.629 1.00 0.00 C ATOM 1961 CG1 VAL A 132 -3.615 10.752 0.342 1.00 0.00 C ATOM 1962 CG2 VAL A 132 -5.018 9.046 -0.830 1.00 0.00 C ATOM 0 H VAL A 132 -4.671 11.015 -2.679 1.00 0.00 H new ATOM 0 HA VAL A 132 -1.942 10.291 -1.819 1.00 0.00 H new ATOM 0 HB VAL A 132 -2.995 8.786 -0.203 1.00 0.00 H new ATOM 0 HG11 VAL A 132 -4.061 10.438 1.286 1.00 0.00 H new ATOM 0 HG12 VAL A 132 -2.593 11.087 0.517 1.00 0.00 H new ATOM 0 HG13 VAL A 132 -4.198 11.571 -0.080 1.00 0.00 H new ATOM 0 HG21 VAL A 132 -5.440 8.761 0.134 1.00 0.00 H new ATOM 0 HG22 VAL A 132 -5.639 9.818 -1.283 1.00 0.00 H new ATOM 0 HG23 VAL A 132 -4.987 8.175 -1.484 1.00 0.00 H new ATOM 1972 N GLY A 133 -1.852 8.353 -3.369 1.00 0.00 N ATOM 1973 CA GLY A 133 -1.793 7.216 -4.268 1.00 0.00 C ATOM 1974 C GLY A 133 -1.435 5.935 -3.543 1.00 0.00 C ATOM 1975 O GLY A 133 -0.304 5.767 -3.094 1.00 0.00 O ATOM 0 H GLY A 133 -0.947 8.751 -3.119 1.00 0.00 H new ATOM 0 HA2 GLY A 133 -2.757 7.095 -4.763 1.00 0.00 H new ATOM 0 HA3 GLY A 133 -1.056 7.409 -5.048 1.00 0.00 H new ATOM 1979 N PHE A 134 -2.403 5.035 -3.421 1.00 0.00 N ATOM 1980 CA PHE A 134 -2.184 3.766 -2.736 1.00 0.00 C ATOM 1981 C PHE A 134 -2.218 2.603 -3.721 1.00 0.00 C ATOM 1982 O PHE A 134 -3.047 2.571 -4.626 1.00 0.00 O ATOM 1983 CB PHE A 134 -3.246 3.560 -1.653 1.00 0.00 C ATOM 1984 CG PHE A 134 -3.160 4.549 -0.525 1.00 0.00 C ATOM 1985 CD1 PHE A 134 -2.047 4.583 0.298 1.00 0.00 C ATOM 1986 CD2 PHE A 134 -4.191 5.446 -0.289 1.00 0.00 C ATOM 1987 CE1 PHE A 134 -1.960 5.491 1.336 1.00 0.00 C ATOM 1988 CE2 PHE A 134 -4.110 6.357 0.748 1.00 0.00 C ATOM 1989 CZ PHE A 134 -2.995 6.379 1.562 1.00 0.00 C ATOM 0 H PHE A 134 -3.347 5.160 -3.787 1.00 0.00 H new ATOM 0 HA PHE A 134 -1.198 3.797 -2.271 1.00 0.00 H new ATOM 0 HB2 PHE A 134 -4.234 3.627 -2.108 1.00 0.00 H new ATOM 0 HB3 PHE A 134 -3.149 2.552 -1.249 1.00 0.00 H new ATOM 0 HD1 PHE A 134 -1.236 3.891 0.126 1.00 0.00 H new ATOM 0 HD2 PHE A 134 -5.066 5.433 -0.922 1.00 0.00 H new ATOM 0 HE1 PHE A 134 -1.085 5.507 1.969 1.00 0.00 H new ATOM 0 HE2 PHE A 134 -4.919 7.051 0.921 1.00 0.00 H new ATOM 0 HZ PHE A 134 -2.932 7.089 2.374 1.00 0.00 H new ATOM 1999 N ALA A 135 -1.321 1.641 -3.533 1.00 0.00 N ATOM 2000 CA ALA A 135 -1.268 0.473 -4.405 1.00 0.00 C ATOM 2001 C ALA A 135 -2.191 -0.617 -3.875 1.00 0.00 C ATOM 2002 O ALA A 135 -2.045 -1.070 -2.741 1.00 0.00 O ATOM 2003 CB ALA A 135 0.162 -0.033 -4.523 1.00 0.00 C ATOM 0 H ALA A 135 -0.624 1.646 -2.788 1.00 0.00 H new ATOM 0 HA ALA A 135 -1.609 0.757 -5.401 1.00 0.00 H new ATOM 0 HB1 ALA A 135 0.187 -0.905 -5.177 1.00 0.00 H new ATOM 0 HB2 ALA A 135 0.792 0.752 -4.941 1.00 0.00 H new ATOM 0 HB3 ALA A 135 0.533 -0.309 -3.536 1.00 0.00 H new ATOM 2009 N ASP A 136 -3.161 -1.013 -4.693 1.00 0.00 N ATOM 2010 CA ASP A 136 -4.136 -2.023 -4.294 1.00 0.00 C ATOM 2011 C ASP A 136 -3.505 -3.402 -4.119 1.00 0.00 C ATOM 2012 O ASP A 136 -2.697 -3.842 -4.937 1.00 0.00 O ATOM 2013 CB ASP A 136 -5.265 -2.096 -5.322 1.00 0.00 C ATOM 2014 CG ASP A 136 -6.634 -2.150 -4.673 1.00 0.00 C ATOM 2015 OD1 ASP A 136 -6.726 -2.618 -3.519 1.00 0.00 O ATOM 2016 OD2 ASP A 136 -7.614 -1.721 -5.319 1.00 0.00 O ATOM 0 H ASP A 136 -3.293 -0.650 -5.637 1.00 0.00 H new ATOM 0 HA ASP A 136 -4.535 -1.721 -3.326 1.00 0.00 H new ATOM 0 HB2 ASP A 136 -5.211 -1.228 -5.979 1.00 0.00 H new ATOM 0 HB3 ASP A 136 -5.127 -2.978 -5.947 1.00 0.00 H new ATOM 2021 N VAL A 137 -3.907 -4.082 -3.047 1.00 0.00 N ATOM 2022 CA VAL A 137 -3.419 -5.423 -2.742 1.00 0.00 C ATOM 2023 C VAL A 137 -4.325 -6.482 -3.382 1.00 0.00 C ATOM 2024 O VAL A 137 -4.178 -7.679 -3.135 1.00 0.00 O ATOM 2025 CB VAL A 137 -3.352 -5.647 -1.211 1.00 0.00 C ATOM 2026 CG1 VAL A 137 -2.920 -7.067 -0.870 1.00 0.00 C ATOM 2027 CG2 VAL A 137 -2.410 -4.640 -0.568 1.00 0.00 C ATOM 0 H VAL A 137 -4.577 -3.720 -2.369 1.00 0.00 H new ATOM 0 HA VAL A 137 -2.415 -5.518 -3.155 1.00 0.00 H new ATOM 0 HB VAL A 137 -4.356 -5.500 -0.812 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -2.884 -7.186 0.213 1.00 0.00 H new ATOM 0 HG12 VAL A 137 -3.634 -7.775 -1.290 1.00 0.00 H new ATOM 0 HG13 VAL A 137 -1.932 -7.257 -1.289 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -2.374 -4.811 0.508 1.00 0.00 H new ATOM 0 HG22 VAL A 137 -1.411 -4.757 -0.988 1.00 0.00 H new ATOM 0 HG23 VAL A 137 -2.769 -3.630 -0.763 1.00 0.00 H new ATOM 2037 N ARG A 138 -5.263 -6.028 -4.210 1.00 0.00 N ATOM 2038 CA ARG A 138 -6.195 -6.924 -4.887 1.00 0.00 C ATOM 2039 C ARG A 138 -5.501 -7.756 -5.966 1.00 0.00 C ATOM 2040 O ARG A 138 -6.114 -8.643 -6.559 1.00 0.00 O ATOM 2041 CB ARG A 138 -7.338 -6.117 -5.508 1.00 0.00 C ATOM 2042 CG ARG A 138 -8.142 -5.318 -4.493 1.00 0.00 C ATOM 2043 CD ARG A 138 -9.635 -5.564 -4.643 1.00 0.00 C ATOM 2044 NE ARG A 138 -10.110 -5.244 -5.987 1.00 0.00 N ATOM 2045 CZ ARG A 138 -11.254 -5.697 -6.497 1.00 0.00 C ATOM 2046 NH1 ARG A 138 -12.042 -6.488 -5.778 1.00 0.00 N ATOM 2047 NH2 ARG A 138 -11.611 -5.359 -7.729 1.00 0.00 N ATOM 0 H ARG A 138 -5.397 -5.041 -4.428 1.00 0.00 H new ATOM 0 HA ARG A 138 -6.593 -7.612 -4.141 1.00 0.00 H new ATOM 0 HB2 ARG A 138 -6.927 -5.434 -6.252 1.00 0.00 H new ATOM 0 HB3 ARG A 138 -8.007 -6.797 -6.035 1.00 0.00 H new ATOM 0 HG2 ARG A 138 -7.828 -5.588 -3.485 1.00 0.00 H new ATOM 0 HG3 ARG A 138 -7.933 -4.255 -4.618 1.00 0.00 H new ATOM 0 HD2 ARG A 138 -9.855 -6.608 -4.420 1.00 0.00 H new ATOM 0 HD3 ARG A 138 -10.177 -4.961 -3.914 1.00 0.00 H new ATOM 0 HE ARG A 138 -9.532 -4.638 -6.569 1.00 0.00 H new ATOM 0 HH11 ARG A 138 -11.772 -6.751 -4.830 1.00 0.00 H new ATOM 0 HH12 ARG A 138 -12.917 -6.832 -6.173 1.00 0.00 H new ATOM 0 HH21 ARG A 138 -11.009 -4.752 -8.286 1.00 0.00 H new ATOM 0 HH22 ARG A 138 -12.487 -5.706 -8.119 1.00 0.00 H new ATOM 2061 N ASP A 139 -4.227 -7.467 -6.226 1.00 0.00 N ATOM 2062 CA ASP A 139 -3.479 -8.197 -7.244 1.00 0.00 C ATOM 2063 C ASP A 139 -2.610 -9.292 -6.626 1.00 0.00 C ATOM 2064 O ASP A 139 -1.761 -9.874 -7.301 1.00 0.00 O ATOM 2065 CB ASP A 139 -2.606 -7.235 -8.051 1.00 0.00 C ATOM 2066 CG ASP A 139 -3.316 -6.704 -9.280 1.00 0.00 C ATOM 2067 OD1 ASP A 139 -4.496 -6.309 -9.160 1.00 0.00 O ATOM 2068 OD2 ASP A 139 -2.693 -6.682 -10.363 1.00 0.00 O ATOM 0 H ASP A 139 -3.696 -6.738 -5.749 1.00 0.00 H new ATOM 0 HA ASP A 139 -4.202 -8.673 -7.906 1.00 0.00 H new ATOM 0 HB2 ASP A 139 -2.309 -6.400 -7.417 1.00 0.00 H new ATOM 0 HB3 ASP A 139 -1.692 -7.746 -8.355 1.00 0.00 H new ATOM 2073 N LEU A 140 -2.825 -9.573 -5.343 1.00 0.00 N ATOM 2074 CA LEU A 140 -2.057 -10.602 -4.653 1.00 0.00 C ATOM 2075 C LEU A 140 -2.617 -10.834 -3.255 1.00 0.00 C ATOM 2076 O LEU A 140 -1.884 -10.856 -2.271 1.00 0.00 O ATOM 2077 CB LEU A 140 -0.567 -10.222 -4.591 1.00 0.00 C ATOM 2078 CG LEU A 140 -0.203 -8.939 -3.818 1.00 0.00 C ATOM 2079 CD1 LEU A 140 -1.355 -7.949 -3.784 1.00 0.00 C ATOM 2080 CD2 LEU A 140 0.235 -9.276 -2.404 1.00 0.00 C ATOM 0 H LEU A 140 -3.522 -9.104 -4.764 1.00 0.00 H new ATOM 0 HA LEU A 140 -2.143 -11.532 -5.216 1.00 0.00 H new ATOM 0 HB2 LEU A 140 -0.024 -11.054 -4.142 1.00 0.00 H new ATOM 0 HB3 LEU A 140 -0.201 -10.117 -5.613 1.00 0.00 H new ATOM 0 HG LEU A 140 0.624 -8.467 -4.348 1.00 0.00 H new ATOM 0 HD11 LEU A 140 -1.055 -7.060 -3.229 1.00 0.00 H new ATOM 0 HD12 LEU A 140 -1.623 -7.668 -4.802 1.00 0.00 H new ATOM 0 HD13 LEU A 140 -2.215 -8.408 -3.296 1.00 0.00 H new ATOM 0 HD21 LEU A 140 0.488 -8.358 -1.873 1.00 0.00 H new ATOM 0 HD22 LEU A 140 -0.576 -9.785 -1.883 1.00 0.00 H new ATOM 0 HD23 LEU A 140 1.108 -9.927 -2.439 1.00 0.00 H new ATOM 2092 N LEU A 141 -3.933 -11.001 -3.186 1.00 0.00 N ATOM 2093 CA LEU A 141 -4.620 -11.223 -1.920 1.00 0.00 C ATOM 2094 C LEU A 141 -4.263 -12.575 -1.304 1.00 0.00 C ATOM 2095 O LEU A 141 -4.540 -12.816 -0.130 1.00 0.00 O ATOM 2096 CB LEU A 141 -6.129 -11.127 -2.123 1.00 0.00 C ATOM 2097 CG LEU A 141 -6.820 -10.083 -1.250 1.00 0.00 C ATOM 2098 CD1 LEU A 141 -6.357 -10.206 0.192 1.00 0.00 C ATOM 2099 CD2 LEU A 141 -6.552 -8.682 -1.779 1.00 0.00 C ATOM 0 H LEU A 141 -4.549 -10.987 -3.999 1.00 0.00 H new ATOM 0 HA LEU A 141 -4.291 -10.448 -1.227 1.00 0.00 H new ATOM 0 HB2 LEU A 141 -6.328 -10.896 -3.170 1.00 0.00 H new ATOM 0 HB3 LEU A 141 -6.573 -12.102 -1.921 1.00 0.00 H new ATOM 0 HG LEU A 141 -7.895 -10.262 -1.284 1.00 0.00 H new ATOM 0 HD11 LEU A 141 -6.859 -9.454 0.801 1.00 0.00 H new ATOM 0 HD12 LEU A 141 -6.600 -11.200 0.569 1.00 0.00 H new ATOM 0 HD13 LEU A 141 -5.279 -10.052 0.242 1.00 0.00 H new ATOM 0 HD21 LEU A 141 -7.053 -7.951 -1.144 1.00 0.00 H new ATOM 0 HD22 LEU A 141 -5.479 -8.491 -1.776 1.00 0.00 H new ATOM 0 HD23 LEU A 141 -6.932 -8.599 -2.797 1.00 0.00 H new ATOM 2111 N TRP A 142 -3.665 -13.456 -2.100 1.00 0.00 N ATOM 2112 CA TRP A 142 -3.290 -14.785 -1.624 1.00 0.00 C ATOM 2113 C TRP A 142 -2.374 -14.710 -0.401 1.00 0.00 C ATOM 2114 O TRP A 142 -1.155 -14.827 -0.513 1.00 0.00 O ATOM 2115 CB TRP A 142 -2.621 -15.598 -2.740 1.00 0.00 C ATOM 2116 CG TRP A 142 -1.478 -14.897 -3.412 1.00 0.00 C ATOM 2117 CD1 TRP A 142 -1.552 -13.839 -4.275 1.00 0.00 C ATOM 2118 CD2 TRP A 142 -0.089 -15.217 -3.290 1.00 0.00 C ATOM 2119 NE1 TRP A 142 -0.294 -13.476 -4.684 1.00 0.00 N ATOM 2120 CE2 TRP A 142 0.620 -14.307 -4.095 1.00 0.00 C ATOM 2121 CE3 TRP A 142 0.627 -16.181 -2.575 1.00 0.00 C ATOM 2122 CZ2 TRP A 142 2.007 -14.333 -4.204 1.00 0.00 C ATOM 2123 CZ3 TRP A 142 2.006 -16.206 -2.686 1.00 0.00 C ATOM 2124 CH2 TRP A 142 2.682 -15.286 -3.494 1.00 0.00 C ATOM 0 H TRP A 142 -3.430 -13.275 -3.076 1.00 0.00 H new ATOM 0 HA TRP A 142 -4.208 -15.291 -1.325 1.00 0.00 H new ATOM 0 HB2 TRP A 142 -2.261 -16.538 -2.323 1.00 0.00 H new ATOM 0 HB3 TRP A 142 -3.371 -15.849 -3.491 1.00 0.00 H new ATOM 0 HD1 TRP A 142 -2.467 -13.359 -4.589 1.00 0.00 H new ATOM 0 HE1 TRP A 142 -0.075 -12.711 -5.323 1.00 0.00 H new ATOM 0 HE3 TRP A 142 0.113 -16.894 -1.947 1.00 0.00 H new ATOM 0 HZ2 TRP A 142 2.532 -13.625 -4.828 1.00 0.00 H new ATOM 0 HZ3 TRP A 142 2.570 -16.948 -2.140 1.00 0.00 H new ATOM 0 HH2 TRP A 142 3.759 -15.330 -3.558 1.00 0.00 H new ATOM 2135 N LEU A 143 -2.987 -14.529 0.767 1.00 0.00 N ATOM 2136 CA LEU A 143 -2.260 -14.454 2.033 1.00 0.00 C ATOM 2137 C LEU A 143 -3.129 -15.000 3.161 1.00 0.00 C ATOM 2138 O LEU A 143 -2.680 -15.806 3.976 1.00 0.00 O ATOM 2139 CB LEU A 143 -1.853 -13.011 2.359 1.00 0.00 C ATOM 2140 CG LEU A 143 -0.936 -12.323 1.343 1.00 0.00 C ATOM 2141 CD1 LEU A 143 -1.763 -11.615 0.288 1.00 0.00 C ATOM 2142 CD2 LEU A 143 -0.015 -11.335 2.045 1.00 0.00 C ATOM 0 H LEU A 143 -3.998 -14.431 0.863 1.00 0.00 H new ATOM 0 HA LEU A 143 -1.355 -15.054 1.936 1.00 0.00 H new ATOM 0 HB2 LEU A 143 -2.759 -12.414 2.462 1.00 0.00 H new ATOM 0 HB3 LEU A 143 -1.355 -13.006 3.329 1.00 0.00 H new ATOM 0 HG LEU A 143 -0.323 -13.081 0.856 1.00 0.00 H new ATOM 0 HD11 LEU A 143 -1.100 -11.130 -0.429 1.00 0.00 H new ATOM 0 HD12 LEU A 143 -2.389 -12.341 -0.231 1.00 0.00 H new ATOM 0 HD13 LEU A 143 -2.395 -10.865 0.764 1.00 0.00 H new ATOM 0 HD21 LEU A 143 0.631 -10.854 1.310 1.00 0.00 H new ATOM 0 HD22 LEU A 143 -0.613 -10.578 2.553 1.00 0.00 H new ATOM 0 HD23 LEU A 143 0.598 -11.864 2.775 1.00 0.00 H new ATOM 2154 N GLU A 144 -4.381 -14.549 3.195 1.00 0.00 N ATOM 2155 CA GLU A 144 -5.333 -14.980 4.212 1.00 0.00 C ATOM 2156 C GLU A 144 -6.764 -14.758 3.730 1.00 0.00 C ATOM 2157 O GLU A 144 -6.993 -14.472 2.554 1.00 0.00 O ATOM 2158 CB GLU A 144 -5.090 -14.220 5.519 1.00 0.00 C ATOM 2159 CG GLU A 144 -4.290 -15.009 6.543 1.00 0.00 C ATOM 2160 CD GLU A 144 -4.868 -14.904 7.940 1.00 0.00 C ATOM 2161 OE1 GLU A 144 -6.102 -15.033 8.084 1.00 0.00 O ATOM 2162 OE2 GLU A 144 -4.086 -14.694 8.892 1.00 0.00 O ATOM 0 H GLU A 144 -4.760 -13.881 2.524 1.00 0.00 H new ATOM 0 HA GLU A 144 -5.190 -16.045 4.394 1.00 0.00 H new ATOM 0 HB2 GLU A 144 -4.564 -13.291 5.297 1.00 0.00 H new ATOM 0 HB3 GLU A 144 -6.051 -13.946 5.954 1.00 0.00 H new ATOM 0 HG2 GLU A 144 -4.258 -16.057 6.245 1.00 0.00 H new ATOM 0 HG3 GLU A 144 -3.261 -14.648 6.551 1.00 0.00 H new ATOM 2169 N ASP A 145 -7.727 -14.892 4.638 1.00 0.00 N ATOM 2170 CA ASP A 145 -9.132 -14.704 4.292 1.00 0.00 C ATOM 2171 C ASP A 145 -9.377 -13.304 3.737 1.00 0.00 C ATOM 2172 O ASP A 145 -8.829 -12.321 4.238 1.00 0.00 O ATOM 2173 CB ASP A 145 -10.016 -14.940 5.518 1.00 0.00 C ATOM 2174 CG ASP A 145 -9.530 -14.184 6.737 1.00 0.00 C ATOM 2175 OD1 ASP A 145 -8.767 -13.209 6.566 1.00 0.00 O ATOM 2176 OD2 ASP A 145 -9.910 -14.565 7.864 1.00 0.00 O ATOM 0 H ASP A 145 -7.561 -15.129 5.616 1.00 0.00 H new ATOM 0 HA ASP A 145 -9.389 -15.430 3.520 1.00 0.00 H new ATOM 0 HB2 ASP A 145 -11.038 -14.636 5.289 1.00 0.00 H new ATOM 0 HB3 ASP A 145 -10.043 -16.006 5.743 1.00 0.00 H new ATOM 2181 N ASP A 146 -10.201 -13.222 2.696 1.00 0.00 N ATOM 2182 CA ASP A 146 -10.520 -11.943 2.066 1.00 0.00 C ATOM 2183 C ASP A 146 -11.924 -11.482 2.445 1.00 0.00 C ATOM 2184 O ASP A 146 -12.789 -12.297 2.763 1.00 0.00 O ATOM 2185 CB ASP A 146 -10.402 -12.058 0.545 1.00 0.00 C ATOM 2186 CG ASP A 146 -11.067 -13.308 0.004 1.00 0.00 C ATOM 2187 OD1 ASP A 146 -10.686 -14.418 0.435 1.00 0.00 O ATOM 2188 OD2 ASP A 146 -11.969 -13.179 -0.852 1.00 0.00 O ATOM 0 H ASP A 146 -10.661 -14.027 2.270 1.00 0.00 H new ATOM 0 HA ASP A 146 -9.806 -11.202 2.425 1.00 0.00 H new ATOM 0 HB2 ASP A 146 -10.853 -11.181 0.081 1.00 0.00 H new ATOM 0 HB3 ASP A 146 -9.349 -12.060 0.265 1.00 0.00 H new ATOM 2193 N ALA A 147 -12.144 -10.171 2.406 1.00 0.00 N ATOM 2194 CA ALA A 147 -13.445 -9.605 2.744 1.00 0.00 C ATOM 2195 C ALA A 147 -14.240 -9.267 1.487 1.00 0.00 C ATOM 2196 O ALA A 147 -13.666 -8.975 0.437 1.00 0.00 O ATOM 2197 CB ALA A 147 -13.273 -8.368 3.614 1.00 0.00 C ATOM 0 H ALA A 147 -11.439 -9.482 2.144 1.00 0.00 H new ATOM 0 HA ALA A 147 -14.005 -10.353 3.305 1.00 0.00 H new ATOM 0 HB1 ALA A 147 -14.252 -7.956 3.859 1.00 0.00 H new ATOM 0 HB2 ALA A 147 -12.753 -8.639 4.533 1.00 0.00 H new ATOM 0 HB3 ALA A 147 -12.690 -7.622 3.074 1.00 0.00 H new ATOM 2203 N MET A 148 -15.563 -9.309 1.599 1.00 0.00 N ATOM 2204 CA MET A 148 -16.436 -9.006 0.471 1.00 0.00 C ATOM 2205 C MET A 148 -17.809 -8.546 0.952 1.00 0.00 C ATOM 2206 O MET A 148 -18.257 -7.449 0.622 1.00 0.00 O ATOM 2207 CB MET A 148 -16.582 -10.231 -0.432 1.00 0.00 C ATOM 2208 CG MET A 148 -16.781 -9.887 -1.899 1.00 0.00 C ATOM 2209 SD MET A 148 -16.314 -11.235 -3.000 1.00 0.00 S ATOM 2210 CE MET A 148 -17.924 -11.819 -3.522 1.00 0.00 C ATOM 0 H MET A 148 -16.054 -9.550 2.460 1.00 0.00 H new ATOM 0 HA MET A 148 -15.982 -8.196 -0.099 1.00 0.00 H new ATOM 0 HB2 MET A 148 -15.693 -10.854 -0.331 1.00 0.00 H new ATOM 0 HB3 MET A 148 -17.429 -10.826 -0.089 1.00 0.00 H new ATOM 0 HG2 MET A 148 -17.827 -9.630 -2.069 1.00 0.00 H new ATOM 0 HG3 MET A 148 -16.192 -9.003 -2.144 1.00 0.00 H new ATOM 0 HE1 MET A 148 -17.802 -12.656 -4.210 1.00 0.00 H new ATOM 0 HE2 MET A 148 -18.493 -12.145 -2.651 1.00 0.00 H new ATOM 0 HE3 MET A 148 -18.459 -11.012 -4.023 1.00 0.00 H new ATOM 2220 N GLU A 149 -18.469 -9.393 1.733 1.00 0.00 N ATOM 2221 CA GLU A 149 -19.791 -9.074 2.260 1.00 0.00 C ATOM 2222 C GLU A 149 -19.737 -7.835 3.150 1.00 0.00 C ATOM 2223 O GLU A 149 -18.659 -7.339 3.476 1.00 0.00 O ATOM 2224 CB GLU A 149 -20.348 -10.259 3.051 1.00 0.00 C ATOM 2225 CG GLU A 149 -20.531 -11.515 2.215 1.00 0.00 C ATOM 2226 CD GLU A 149 -21.351 -12.573 2.927 1.00 0.00 C ATOM 2227 OE1 GLU A 149 -22.584 -12.400 3.030 1.00 0.00 O ATOM 2228 OE2 GLU A 149 -20.762 -13.577 3.379 1.00 0.00 O ATOM 0 H GLU A 149 -18.111 -10.305 2.015 1.00 0.00 H new ATOM 0 HA GLU A 149 -20.450 -8.867 1.417 1.00 0.00 H new ATOM 0 HB2 GLU A 149 -19.676 -10.479 3.881 1.00 0.00 H new ATOM 0 HB3 GLU A 149 -21.308 -9.977 3.484 1.00 0.00 H new ATOM 0 HG2 GLU A 149 -21.018 -11.254 1.275 1.00 0.00 H new ATOM 0 HG3 GLU A 149 -19.553 -11.926 1.964 1.00 0.00 H new ATOM 2235 N GLN A 150 -20.908 -7.340 3.539 1.00 0.00 N ATOM 2236 CA GLN A 150 -20.993 -6.159 4.391 1.00 0.00 C ATOM 2237 C GLN A 150 -21.682 -6.489 5.711 1.00 0.00 C ATOM 2238 O GLN A 150 -21.035 -6.338 6.768 1.00 0.00 O ATOM 2239 CB GLN A 150 -21.752 -5.041 3.671 1.00 0.00 C ATOM 2240 CG GLN A 150 -21.232 -3.649 3.993 1.00 0.00 C ATOM 2241 CD GLN A 150 -22.329 -2.702 4.437 1.00 0.00 C ATOM 2242 OE1 GLN A 150 -23.359 -2.572 3.775 1.00 0.00 O ATOM 2243 NE2 GLN A 150 -22.115 -2.035 5.565 1.00 0.00 N ATOM 2244 OXT GLN A 150 -22.863 -6.896 5.676 1.00 0.00 O ATOM 0 H GLN A 150 -21.810 -7.738 3.278 1.00 0.00 H new ATOM 0 HA GLN A 150 -19.979 -5.822 4.606 1.00 0.00 H new ATOM 0 HB2 GLN A 150 -21.688 -5.204 2.595 1.00 0.00 H new ATOM 0 HB3 GLN A 150 -22.807 -5.097 3.940 1.00 0.00 H new ATOM 0 HG2 GLN A 150 -20.479 -3.720 4.778 1.00 0.00 H new ATOM 0 HG3 GLN A 150 -20.737 -3.238 3.113 1.00 0.00 H new ATOM 0 HE21 GLN A 150 -21.247 -2.173 6.082 1.00 0.00 H new ATOM 0 HE22 GLN A 150 -22.819 -1.385 5.914 1.00 0.00 H new TER 2253 GLN A 150 HETATM 2254 ZN ZN A 151 -14.615 -1.704 1.565 1.00 0.00 ZN