USER MOD reduce.3.24.130724 H: found=0, std=0, add=853, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 853 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 GLN : amide:sc= 0 X(o=0.38,f=0.28) USER MOD Set 1.2: A 100 THR OG1 : rot 55:sc= 0.377 USER MOD Set 2.1: A 15 THR OG1 : rot 51:sc= -0.986! USER MOD Set 2.2: A 49 TYR OH : rot 180:sc= 0.0932 USER MOD Set 2.3: A 56 LYS NZ :NH3+ -158:sc= 0.0992 (180deg=-0.103) USER MOD Set 3.1: A 10 ASN : amide:sc= -0.15 X(o=-0.29,f=-0.27) USER MOD Set 3.2: A 13 GLN : amide:sc= -0.138 K(o=-0.29,f=-1.5!) USER MOD Single : A 1 CYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 CYS SG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 3:sc= 0.934 USER MOD Single : A 5 THR OG1 : rot -62:sc= -5.67! USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= -0.0151 USER MOD Single : A 17 THR OG1 : rot 67:sc= 0.833 USER MOD Single : A 21 THR OG1 : rot 86:sc= 0.537 USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 34 ASN : amide:sc= -0.99! C(o=-0.99!,f=-2.3!) USER MOD Single : A 36 GLN : amide:sc= -0.0702 X(o=-0.07,f=0) USER MOD Single : A 39 GLN : amide:sc= -0.526 X(o=-0.53,f=-0.14) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -0.317 K(o=-0.32,f=-3.5!) USER MOD Single : A 47 ASN : amide:sc= -13.4! C(o=-13!,f=-16!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.245) USER MOD Single : A 64 SER OG : rot 180:sc=7.72e-06 USER MOD Single : A 66 THR OG1 : rot 84:sc= 0.856 USER MOD Single : A 67 THR OG1 : rot 79:sc= 0.757 USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 82:sc= 1.3 USER MOD Single : A 73 ASN : amide:sc= -2.26! K(o=-2.3!,f=-1) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot -39:sc= 1.32 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 80:sc= 0.346 USER MOD Single : A 81 SER OG : rot -93:sc= 1.48 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 134:sc= -0.12 (180deg=-1.28) USER MOD Single : A 93 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.272) USER MOD Single : A 101 GLN : amide:sc= -1.6! K(o=-1.6!,f=0) USER MOD Single : A 105 SER OG : rot -77:sc= 0.127 USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 72.897 10.409 13.283 1.00 0.00 N ATOM 2 CA CYS A 1 74.149 10.017 13.990 1.00 0.00 C ATOM 3 C CYS A 1 74.843 8.906 13.211 1.00 0.00 C ATOM 4 O CYS A 1 74.222 7.906 12.852 1.00 0.00 O ATOM 5 CB CYS A 1 73.804 9.532 15.401 1.00 0.00 C ATOM 6 SG CYS A 1 74.576 10.625 16.620 1.00 0.00 S ATOM 0 H1 CYS A 1 72.422 11.167 13.813 1.00 0.00 H new ATOM 0 H2 CYS A 1 73.129 10.748 12.328 1.00 0.00 H new ATOM 0 H3 CYS A 1 72.265 9.586 13.214 1.00 0.00 H new ATOM 0 HA CYS A 1 74.818 10.875 14.060 1.00 0.00 H new ATOM 0 HB2 CYS A 1 72.723 9.521 15.539 1.00 0.00 H new ATOM 0 HB3 CYS A 1 74.153 8.509 15.541 1.00 0.00 H new ATOM 0 HG CYS A 1 74.282 10.215 17.818 1.00 0.00 H new ATOM 14 N ASP A 2 76.133 9.088 12.953 1.00 0.00 N ATOM 15 CA ASP A 2 76.903 8.094 12.215 1.00 0.00 C ATOM 16 C ASP A 2 77.397 6.996 13.151 1.00 0.00 C ATOM 17 O ASP A 2 76.782 5.935 13.259 1.00 0.00 O ATOM 18 CB ASP A 2 78.100 8.762 11.535 1.00 0.00 C ATOM 19 CG ASP A 2 77.624 9.622 10.369 1.00 0.00 C ATOM 20 OD1 ASP A 2 76.497 10.088 10.423 1.00 0.00 O ATOM 21 OD2 ASP A 2 78.392 9.803 9.440 1.00 0.00 O ATOM 0 H ASP A 2 76.665 9.909 13.242 1.00 0.00 H new ATOM 0 HA ASP A 2 76.256 7.648 11.459 1.00 0.00 H new ATOM 0 HB2 ASP A 2 78.641 9.377 12.254 1.00 0.00 H new ATOM 0 HB3 ASP A 2 78.796 8.003 11.178 1.00 0.00 H new ATOM 26 N SER A 3 78.511 7.259 13.826 1.00 0.00 N ATOM 27 CA SER A 3 79.081 6.288 14.752 1.00 0.00 C ATOM 28 C SER A 3 77.975 5.535 15.485 1.00 0.00 C ATOM 29 O SER A 3 77.267 6.107 16.314 1.00 0.00 O ATOM 30 CB SER A 3 79.977 6.997 15.767 1.00 0.00 C ATOM 31 OG SER A 3 79.166 7.726 16.680 1.00 0.00 O ATOM 0 H SER A 3 79.034 8.131 13.750 1.00 0.00 H new ATOM 0 HA SER A 3 79.675 5.574 14.181 1.00 0.00 H new ATOM 0 HB2 SER A 3 80.585 6.269 16.304 1.00 0.00 H new ATOM 0 HB3 SER A 3 80.664 7.671 15.255 1.00 0.00 H new ATOM 0 HG SER A 3 78.221 7.563 16.480 1.00 0.00 H new ATOM 37 N GLY A 4 77.833 4.251 15.175 1.00 0.00 N ATOM 38 CA GLY A 4 76.806 3.433 15.813 1.00 0.00 C ATOM 39 C GLY A 4 75.695 3.091 14.826 1.00 0.00 C ATOM 40 O GLY A 4 75.314 3.919 13.998 1.00 0.00 O ATOM 0 H GLY A 4 78.409 3.757 14.493 1.00 0.00 H new ATOM 0 HA2 GLY A 4 77.252 2.516 16.197 1.00 0.00 H new ATOM 0 HA3 GLY A 4 76.388 3.966 16.667 1.00 0.00 H new ATOM 44 N THR A 5 75.181 1.866 14.910 1.00 0.00 N ATOM 45 CA THR A 5 74.118 1.433 14.006 1.00 0.00 C ATOM 46 C THR A 5 73.579 0.066 14.415 1.00 0.00 C ATOM 47 O THR A 5 73.507 -0.258 15.601 1.00 0.00 O ATOM 48 CB THR A 5 74.658 1.351 12.577 1.00 0.00 C ATOM 49 OG1 THR A 5 75.724 2.275 12.422 1.00 0.00 O ATOM 50 CG2 THR A 5 73.547 1.685 11.580 1.00 0.00 C ATOM 0 H THR A 5 75.479 1.163 15.586 1.00 0.00 H new ATOM 0 HA THR A 5 73.308 2.161 14.059 1.00 0.00 H new ATOM 0 HB THR A 5 75.018 0.340 12.387 1.00 0.00 H new ATOM 0 HG1 THR A 5 75.392 3.185 12.569 1.00 0.00 H new ATOM 0 HG21 THR A 5 73.939 1.625 10.565 1.00 0.00 H new ATOM 0 HG22 THR A 5 72.728 0.975 11.696 1.00 0.00 H new ATOM 0 HG23 THR A 5 73.181 2.694 11.768 1.00 0.00 H new ATOM 58 N GLY A 6 73.207 -0.732 13.418 1.00 0.00 N ATOM 59 CA GLY A 6 72.677 -2.068 13.666 1.00 0.00 C ATOM 60 C GLY A 6 73.085 -3.022 12.547 1.00 0.00 C ATOM 61 O GLY A 6 72.378 -3.986 12.250 1.00 0.00 O ATOM 0 H GLY A 6 73.263 -0.477 12.432 1.00 0.00 H new ATOM 0 HA2 GLY A 6 73.046 -2.440 14.622 1.00 0.00 H new ATOM 0 HA3 GLY A 6 71.590 -2.027 13.738 1.00 0.00 H new ATOM 65 N LEU A 7 74.228 -2.740 11.930 1.00 0.00 N ATOM 66 CA LEU A 7 74.732 -3.570 10.840 1.00 0.00 C ATOM 67 C LEU A 7 74.757 -5.041 11.250 1.00 0.00 C ATOM 68 O LEU A 7 74.186 -5.423 12.271 1.00 0.00 O ATOM 69 CB LEU A 7 76.146 -3.114 10.461 1.00 0.00 C ATOM 70 CG LEU A 7 76.134 -2.428 9.090 1.00 0.00 C ATOM 71 CD1 LEU A 7 75.820 -3.450 7.993 1.00 0.00 C ATOM 72 CD2 LEU A 7 75.071 -1.325 9.072 1.00 0.00 C ATOM 0 H LEU A 7 74.822 -1.945 12.165 1.00 0.00 H new ATOM 0 HA LEU A 7 74.069 -3.461 9.982 1.00 0.00 H new ATOM 0 HB2 LEU A 7 76.528 -2.427 11.216 1.00 0.00 H new ATOM 0 HB3 LEU A 7 76.819 -3.971 10.440 1.00 0.00 H new ATOM 0 HG LEU A 7 77.116 -1.993 8.907 1.00 0.00 H new ATOM 0 HD11 LEU A 7 75.814 -2.952 7.023 1.00 0.00 H new ATOM 0 HD12 LEU A 7 76.580 -4.231 7.995 1.00 0.00 H new ATOM 0 HD13 LEU A 7 74.842 -3.895 8.179 1.00 0.00 H new ATOM 0 HD21 LEU A 7 75.066 -0.840 8.096 1.00 0.00 H new ATOM 0 HD22 LEU A 7 74.091 -1.761 9.266 1.00 0.00 H new ATOM 0 HD23 LEU A 7 75.299 -0.588 9.842 1.00 0.00 H new ATOM 84 N THR A 8 75.425 -5.862 10.444 1.00 0.00 N ATOM 85 CA THR A 8 75.523 -7.288 10.727 1.00 0.00 C ATOM 86 C THR A 8 76.984 -7.729 10.758 1.00 0.00 C ATOM 87 O THR A 8 77.311 -8.788 11.294 1.00 0.00 O ATOM 88 CB THR A 8 74.771 -8.085 9.659 1.00 0.00 C ATOM 89 OG1 THR A 8 73.544 -7.435 9.361 1.00 0.00 O ATOM 90 CG2 THR A 8 74.490 -9.497 10.176 1.00 0.00 C ATOM 0 H THR A 8 75.904 -5.565 9.594 1.00 0.00 H new ATOM 0 HA THR A 8 75.077 -7.477 11.703 1.00 0.00 H new ATOM 0 HB THR A 8 75.379 -8.146 8.756 1.00 0.00 H new ATOM 0 HG1 THR A 8 73.062 -7.944 8.676 1.00 0.00 H new ATOM 0 HG21 THR A 8 73.954 -10.063 9.414 1.00 0.00 H new ATOM 0 HG22 THR A 8 75.432 -9.995 10.403 1.00 0.00 H new ATOM 0 HG23 THR A 8 73.883 -9.440 11.079 1.00 0.00 H new ATOM 98 N GLY A 9 77.857 -6.909 10.182 1.00 0.00 N ATOM 99 CA GLY A 9 79.281 -7.223 10.151 1.00 0.00 C ATOM 100 C GLY A 9 79.507 -8.706 9.881 1.00 0.00 C ATOM 101 O GLY A 9 80.305 -9.355 10.559 1.00 0.00 O ATOM 0 H GLY A 9 77.606 -6.028 9.733 1.00 0.00 H new ATOM 0 HA2 GLY A 9 79.771 -6.630 9.379 1.00 0.00 H new ATOM 0 HA3 GLY A 9 79.738 -6.949 11.102 1.00 0.00 H new ATOM 105 N ASN A 10 78.802 -9.235 8.889 1.00 0.00 N ATOM 106 CA ASN A 10 78.935 -10.644 8.537 1.00 0.00 C ATOM 107 C ASN A 10 80.271 -10.901 7.851 1.00 0.00 C ATOM 108 O ASN A 10 81.211 -10.116 7.984 1.00 0.00 O ATOM 109 CB ASN A 10 77.793 -11.060 7.610 1.00 0.00 C ATOM 110 CG ASN A 10 77.130 -12.329 8.134 1.00 0.00 C ATOM 111 OD1 ASN A 10 76.759 -12.398 9.306 1.00 0.00 O ATOM 112 ND2 ASN A 10 76.960 -13.344 7.332 1.00 0.00 N ATOM 0 H ASN A 10 78.137 -8.715 8.317 1.00 0.00 H new ATOM 0 HA ASN A 10 78.892 -11.234 9.453 1.00 0.00 H new ATOM 0 HB2 ASN A 10 77.058 -10.258 7.542 1.00 0.00 H new ATOM 0 HB3 ASN A 10 78.174 -11.229 6.603 1.00 0.00 H new ATOM 0 HD21 ASN A 10 76.519 -14.197 7.676 1.00 0.00 H new ATOM 0 HD22 ASN A 10 77.268 -13.284 6.362 1.00 0.00 H new ATOM 119 N TYR A 11 80.351 -12.008 7.122 1.00 0.00 N ATOM 120 CA TYR A 11 81.579 -12.365 6.424 1.00 0.00 C ATOM 121 C TYR A 11 81.611 -11.743 5.028 1.00 0.00 C ATOM 122 O TYR A 11 81.498 -10.526 4.880 1.00 0.00 O ATOM 123 CB TYR A 11 81.685 -13.887 6.317 1.00 0.00 C ATOM 124 CG TYR A 11 81.697 -14.488 7.703 1.00 0.00 C ATOM 125 CD1 TYR A 11 80.520 -14.530 8.458 1.00 0.00 C ATOM 126 CD2 TYR A 11 82.888 -15.003 8.231 1.00 0.00 C ATOM 127 CE1 TYR A 11 80.531 -15.086 9.742 1.00 0.00 C ATOM 128 CE2 TYR A 11 82.898 -15.560 9.516 1.00 0.00 C ATOM 129 CZ TYR A 11 81.720 -15.601 10.271 1.00 0.00 C ATOM 130 OH TYR A 11 81.732 -16.149 11.538 1.00 0.00 O ATOM 0 H TYR A 11 79.585 -12.670 7.000 1.00 0.00 H new ATOM 0 HA TYR A 11 82.426 -11.979 6.991 1.00 0.00 H new ATOM 0 HB2 TYR A 11 80.845 -14.282 5.745 1.00 0.00 H new ATOM 0 HB3 TYR A 11 82.593 -14.163 5.781 1.00 0.00 H new ATOM 0 HD1 TYR A 11 79.602 -14.133 8.050 1.00 0.00 H new ATOM 0 HD2 TYR A 11 83.797 -14.971 7.648 1.00 0.00 H new ATOM 0 HE1 TYR A 11 79.622 -15.118 10.325 1.00 0.00 H new ATOM 0 HE2 TYR A 11 83.815 -15.958 9.925 1.00 0.00 H new ATOM 0 HH TYR A 11 82.636 -16.461 11.751 1.00 0.00 H new ATOM 140 N SER A 12 81.768 -12.583 4.009 1.00 0.00 N ATOM 141 CA SER A 12 81.816 -12.100 2.634 1.00 0.00 C ATOM 142 C SER A 12 80.605 -11.226 2.329 1.00 0.00 C ATOM 143 O SER A 12 80.713 -10.219 1.628 1.00 0.00 O ATOM 144 CB SER A 12 81.845 -13.285 1.667 1.00 0.00 C ATOM 145 OG SER A 12 80.659 -14.052 1.831 1.00 0.00 O ATOM 0 H SER A 12 81.863 -13.594 4.108 1.00 0.00 H new ATOM 0 HA SER A 12 82.720 -11.504 2.510 1.00 0.00 H new ATOM 0 HB2 SER A 12 81.923 -12.929 0.640 1.00 0.00 H new ATOM 0 HB3 SER A 12 82.722 -13.904 1.858 1.00 0.00 H new ATOM 0 HG SER A 12 80.672 -14.812 1.212 1.00 0.00 H new ATOM 151 N GLN A 13 79.452 -11.615 2.862 1.00 0.00 N ATOM 152 CA GLN A 13 78.227 -10.860 2.642 1.00 0.00 C ATOM 153 C GLN A 13 78.433 -9.393 3.006 1.00 0.00 C ATOM 154 O GLN A 13 78.166 -8.500 2.202 1.00 0.00 O ATOM 155 CB GLN A 13 77.092 -11.445 3.485 1.00 0.00 C ATOM 156 CG GLN A 13 76.981 -12.948 3.221 1.00 0.00 C ATOM 157 CD GLN A 13 75.943 -13.563 4.168 1.00 0.00 C ATOM 158 OE1 GLN A 13 75.312 -12.839 4.938 1.00 0.00 O ATOM 159 NE2 GLN A 13 75.718 -14.858 4.166 1.00 0.00 N ATOM 0 H GLN A 13 79.341 -12.444 3.446 1.00 0.00 H new ATOM 0 HA GLN A 13 77.964 -10.928 1.587 1.00 0.00 H new ATOM 0 HB2 GLN A 13 77.281 -11.264 4.543 1.00 0.00 H new ATOM 0 HB3 GLN A 13 76.151 -10.952 3.240 1.00 0.00 H new ATOM 0 HG2 GLN A 13 76.692 -13.125 2.185 1.00 0.00 H new ATOM 0 HG3 GLN A 13 77.950 -13.426 3.368 1.00 0.00 H new ATOM 0 HE21 GLN A 13 76.237 -15.465 3.531 1.00 0.00 H new ATOM 0 HE22 GLN A 13 75.025 -15.256 4.799 1.00 0.00 H new ATOM 168 N ASP A 14 78.909 -9.155 4.223 1.00 0.00 N ATOM 169 CA ASP A 14 79.148 -7.795 4.689 1.00 0.00 C ATOM 170 C ASP A 14 80.384 -7.199 4.021 1.00 0.00 C ATOM 171 O ASP A 14 80.477 -5.985 3.837 1.00 0.00 O ATOM 172 CB ASP A 14 79.340 -7.794 6.206 1.00 0.00 C ATOM 173 CG ASP A 14 78.468 -6.715 6.843 1.00 0.00 C ATOM 174 OD1 ASP A 14 78.626 -5.562 6.479 1.00 0.00 O ATOM 175 OD2 ASP A 14 77.657 -7.059 7.686 1.00 0.00 O ATOM 0 H ASP A 14 79.136 -9.882 4.901 1.00 0.00 H new ATOM 0 HA ASP A 14 78.283 -7.187 4.426 1.00 0.00 H new ATOM 0 HB2 ASP A 14 79.080 -8.771 6.614 1.00 0.00 H new ATOM 0 HB3 ASP A 14 80.388 -7.616 6.448 1.00 0.00 H new ATOM 180 N THR A 15 81.337 -8.057 3.671 1.00 0.00 N ATOM 181 CA THR A 15 82.569 -7.597 3.039 1.00 0.00 C ATOM 182 C THR A 15 82.293 -6.964 1.678 1.00 0.00 C ATOM 183 O THR A 15 82.788 -5.878 1.382 1.00 0.00 O ATOM 184 CB THR A 15 83.534 -8.773 2.862 1.00 0.00 C ATOM 185 OG1 THR A 15 83.452 -9.625 3.995 1.00 0.00 O ATOM 186 CG2 THR A 15 84.962 -8.247 2.719 1.00 0.00 C ATOM 0 H THR A 15 81.282 -9.066 3.812 1.00 0.00 H new ATOM 0 HA THR A 15 83.015 -6.843 3.687 1.00 0.00 H new ATOM 0 HB THR A 15 83.265 -9.332 1.966 1.00 0.00 H new ATOM 0 HG1 THR A 15 82.514 -9.849 4.169 1.00 0.00 H new ATOM 0 HG21 THR A 15 85.648 -9.085 2.593 1.00 0.00 H new ATOM 0 HG22 THR A 15 85.024 -7.594 1.849 1.00 0.00 H new ATOM 0 HG23 THR A 15 85.235 -7.686 3.613 1.00 0.00 H new ATOM 194 N LEU A 16 81.510 -7.648 0.850 1.00 0.00 N ATOM 195 CA LEU A 16 81.195 -7.130 -0.477 1.00 0.00 C ATOM 196 C LEU A 16 80.159 -6.013 -0.404 1.00 0.00 C ATOM 197 O LEU A 16 80.180 -5.087 -1.210 1.00 0.00 O ATOM 198 CB LEU A 16 80.679 -8.257 -1.381 1.00 0.00 C ATOM 199 CG LEU A 16 79.475 -8.941 -0.729 1.00 0.00 C ATOM 200 CD1 LEU A 16 78.180 -8.384 -1.325 1.00 0.00 C ATOM 201 CD2 LEU A 16 79.546 -10.446 -0.998 1.00 0.00 C ATOM 0 H LEU A 16 81.087 -8.550 1.070 1.00 0.00 H new ATOM 0 HA LEU A 16 82.112 -6.720 -0.899 1.00 0.00 H new ATOM 0 HB2 LEU A 16 80.396 -7.854 -2.353 1.00 0.00 H new ATOM 0 HB3 LEU A 16 81.471 -8.985 -1.556 1.00 0.00 H new ATOM 0 HG LEU A 16 79.489 -8.754 0.345 1.00 0.00 H new ATOM 0 HD11 LEU A 16 77.325 -8.873 -0.859 1.00 0.00 H new ATOM 0 HD12 LEU A 16 78.128 -7.311 -1.143 1.00 0.00 H new ATOM 0 HD13 LEU A 16 78.164 -8.571 -2.399 1.00 0.00 H new ATOM 0 HD21 LEU A 16 78.691 -10.939 -0.536 1.00 0.00 H new ATOM 0 HD22 LEU A 16 79.530 -10.625 -2.073 1.00 0.00 H new ATOM 0 HD23 LEU A 16 80.468 -10.848 -0.577 1.00 0.00 H new ATOM 213 N THR A 17 79.245 -6.112 0.555 1.00 0.00 N ATOM 214 CA THR A 17 78.193 -5.109 0.705 1.00 0.00 C ATOM 215 C THR A 17 78.767 -3.704 0.892 1.00 0.00 C ATOM 216 O THR A 17 78.461 -2.796 0.120 1.00 0.00 O ATOM 217 CB THR A 17 77.311 -5.460 1.906 1.00 0.00 C ATOM 218 OG1 THR A 17 76.707 -6.728 1.692 1.00 0.00 O ATOM 219 CG2 THR A 17 76.225 -4.397 2.074 1.00 0.00 C ATOM 0 H THR A 17 79.209 -6.870 1.236 1.00 0.00 H new ATOM 0 HA THR A 17 77.602 -5.113 -0.211 1.00 0.00 H new ATOM 0 HB THR A 17 77.922 -5.495 2.808 1.00 0.00 H new ATOM 0 HG1 THR A 17 77.397 -7.424 1.695 1.00 0.00 H new ATOM 0 HG21 THR A 17 75.598 -4.649 2.930 1.00 0.00 H new ATOM 0 HG22 THR A 17 76.690 -3.425 2.238 1.00 0.00 H new ATOM 0 HG23 THR A 17 75.611 -4.358 1.174 1.00 0.00 H new ATOM 227 N VAL A 18 79.580 -3.526 1.927 1.00 0.00 N ATOM 228 CA VAL A 18 80.165 -2.218 2.209 1.00 0.00 C ATOM 229 C VAL A 18 81.188 -1.820 1.150 1.00 0.00 C ATOM 230 O VAL A 18 81.130 -0.717 0.606 1.00 0.00 O ATOM 231 CB VAL A 18 80.834 -2.232 3.583 1.00 0.00 C ATOM 232 CG1 VAL A 18 81.701 -0.982 3.741 1.00 0.00 C ATOM 233 CG2 VAL A 18 79.760 -2.246 4.673 1.00 0.00 C ATOM 0 H VAL A 18 79.848 -4.262 2.580 1.00 0.00 H new ATOM 0 HA VAL A 18 79.359 -1.485 2.196 1.00 0.00 H new ATOM 0 HB VAL A 18 81.457 -3.122 3.674 1.00 0.00 H new ATOM 0 HG11 VAL A 18 82.178 -0.992 4.721 1.00 0.00 H new ATOM 0 HG12 VAL A 18 82.466 -0.969 2.965 1.00 0.00 H new ATOM 0 HG13 VAL A 18 81.077 -0.093 3.650 1.00 0.00 H new ATOM 0 HG21 VAL A 18 80.237 -2.256 5.653 1.00 0.00 H new ATOM 0 HG22 VAL A 18 79.137 -1.356 4.581 1.00 0.00 H new ATOM 0 HG23 VAL A 18 79.140 -3.136 4.562 1.00 0.00 H new ATOM 243 N ILE A 19 82.128 -2.712 0.867 1.00 0.00 N ATOM 244 CA ILE A 19 83.158 -2.418 -0.122 1.00 0.00 C ATOM 245 C ILE A 19 82.550 -2.189 -1.492 1.00 0.00 C ATOM 246 O ILE A 19 83.112 -1.463 -2.312 1.00 0.00 O ATOM 247 CB ILE A 19 84.199 -3.543 -0.171 1.00 0.00 C ATOM 248 CG1 ILE A 19 85.600 -2.922 -0.253 1.00 0.00 C ATOM 249 CG2 ILE A 19 83.960 -4.431 -1.395 1.00 0.00 C ATOM 250 CD1 ILE A 19 86.592 -3.944 -0.812 1.00 0.00 C ATOM 0 H ILE A 19 82.200 -3.632 1.301 1.00 0.00 H new ATOM 0 HA ILE A 19 83.660 -1.499 0.179 1.00 0.00 H new ATOM 0 HB ILE A 19 84.114 -4.154 0.728 1.00 0.00 H new ATOM 0 HG12 ILE A 19 85.578 -2.038 -0.890 1.00 0.00 H new ATOM 0 HG13 ILE A 19 85.920 -2.595 0.736 1.00 0.00 H new ATOM 0 HG21 ILE A 19 84.705 -5.226 -1.419 1.00 0.00 H new ATOM 0 HG22 ILE A 19 82.964 -4.869 -1.338 1.00 0.00 H new ATOM 0 HG23 ILE A 19 84.041 -3.831 -2.301 1.00 0.00 H new ATOM 0 HD11 ILE A 19 87.584 -3.496 -0.867 1.00 0.00 H new ATOM 0 HD12 ILE A 19 86.624 -4.816 -0.158 1.00 0.00 H new ATOM 0 HD13 ILE A 19 86.276 -4.250 -1.809 1.00 0.00 H new ATOM 262 N ALA A 20 81.402 -2.800 -1.743 1.00 0.00 N ATOM 263 CA ALA A 20 80.760 -2.626 -3.029 1.00 0.00 C ATOM 264 C ALA A 20 80.444 -1.154 -3.261 1.00 0.00 C ATOM 265 O ALA A 20 80.614 -0.639 -4.367 1.00 0.00 O ATOM 266 CB ALA A 20 79.474 -3.450 -3.115 1.00 0.00 C ATOM 0 H ALA A 20 80.908 -3.406 -1.088 1.00 0.00 H new ATOM 0 HA ALA A 20 81.446 -2.975 -3.801 1.00 0.00 H new ATOM 0 HB1 ALA A 20 79.011 -3.302 -4.091 1.00 0.00 H new ATOM 0 HB2 ALA A 20 79.709 -4.506 -2.982 1.00 0.00 H new ATOM 0 HB3 ALA A 20 78.784 -3.130 -2.334 1.00 0.00 H new ATOM 272 N THR A 21 79.996 -0.478 -2.210 1.00 0.00 N ATOM 273 CA THR A 21 79.675 0.938 -2.312 1.00 0.00 C ATOM 274 C THR A 21 80.919 1.719 -2.708 1.00 0.00 C ATOM 275 O THR A 21 80.846 2.690 -3.461 1.00 0.00 O ATOM 276 CB THR A 21 79.146 1.452 -0.972 1.00 0.00 C ATOM 277 OG1 THR A 21 78.563 0.376 -0.250 1.00 0.00 O ATOM 278 CG2 THR A 21 78.094 2.534 -1.216 1.00 0.00 C ATOM 0 H THR A 21 79.848 -0.884 -1.286 1.00 0.00 H new ATOM 0 HA THR A 21 78.907 1.075 -3.073 1.00 0.00 H new ATOM 0 HB THR A 21 79.969 1.874 -0.395 1.00 0.00 H new ATOM 0 HG1 THR A 21 79.259 -0.093 0.256 1.00 0.00 H new ATOM 0 HG21 THR A 21 77.719 2.899 -0.260 1.00 0.00 H new ATOM 0 HG22 THR A 21 78.543 3.360 -1.768 1.00 0.00 H new ATOM 0 HG23 THR A 21 77.270 2.116 -1.794 1.00 0.00 H new ATOM 286 N LEU A 22 82.066 1.276 -2.204 1.00 0.00 N ATOM 287 CA LEU A 22 83.329 1.929 -2.518 1.00 0.00 C ATOM 288 C LEU A 22 83.666 1.737 -3.990 1.00 0.00 C ATOM 289 O LEU A 22 83.969 2.695 -4.702 1.00 0.00 O ATOM 290 CB LEU A 22 84.445 1.333 -1.665 1.00 0.00 C ATOM 291 CG LEU A 22 84.061 1.407 -0.187 1.00 0.00 C ATOM 292 CD1 LEU A 22 85.231 0.917 0.669 1.00 0.00 C ATOM 293 CD2 LEU A 22 83.732 2.855 0.184 1.00 0.00 C ATOM 0 H LEU A 22 82.146 0.473 -1.581 1.00 0.00 H new ATOM 0 HA LEU A 22 83.235 2.994 -2.306 1.00 0.00 H new ATOM 0 HB2 LEU A 22 84.622 0.297 -1.953 1.00 0.00 H new ATOM 0 HB3 LEU A 22 85.375 1.875 -1.836 1.00 0.00 H new ATOM 0 HG LEU A 22 83.189 0.778 -0.007 1.00 0.00 H new ATOM 0 HD11 LEU A 22 84.958 0.970 1.723 1.00 0.00 H new ATOM 0 HD12 LEU A 22 85.467 -0.114 0.406 1.00 0.00 H new ATOM 0 HD13 LEU A 22 86.103 1.546 0.488 1.00 0.00 H new ATOM 0 HD21 LEU A 22 83.458 2.907 1.238 1.00 0.00 H new ATOM 0 HD22 LEU A 22 84.604 3.484 0.004 1.00 0.00 H new ATOM 0 HD23 LEU A 22 82.899 3.206 -0.425 1.00 0.00 H new ATOM 305 N ARG A 23 83.597 0.489 -4.442 1.00 0.00 N ATOM 306 CA ARG A 23 83.879 0.175 -5.836 1.00 0.00 C ATOM 307 C ARG A 23 82.981 1.007 -6.735 1.00 0.00 C ATOM 308 O ARG A 23 83.356 1.367 -7.850 1.00 0.00 O ATOM 309 CB ARG A 23 83.630 -1.319 -6.095 1.00 0.00 C ATOM 310 CG ARG A 23 84.881 -2.138 -5.716 1.00 0.00 C ATOM 311 CD ARG A 23 84.511 -3.414 -4.937 1.00 0.00 C ATOM 312 NE ARG A 23 84.261 -4.519 -5.854 1.00 0.00 N ATOM 313 CZ ARG A 23 83.043 -4.753 -6.341 1.00 0.00 C ATOM 314 NH1 ARG A 23 82.041 -3.998 -5.987 1.00 0.00 N ATOM 315 NH2 ARG A 23 82.845 -5.746 -7.165 1.00 0.00 N ATOM 0 H ARG A 23 83.350 -0.316 -3.867 1.00 0.00 H new ATOM 0 HA ARG A 23 84.922 0.405 -6.053 1.00 0.00 H new ATOM 0 HB2 ARG A 23 82.773 -1.659 -5.513 1.00 0.00 H new ATOM 0 HB3 ARG A 23 83.386 -1.478 -7.145 1.00 0.00 H new ATOM 0 HG2 ARG A 23 85.427 -2.409 -6.620 1.00 0.00 H new ATOM 0 HG3 ARG A 23 85.549 -1.524 -5.112 1.00 0.00 H new ATOM 0 HD2 ARG A 23 85.319 -3.677 -4.254 1.00 0.00 H new ATOM 0 HD3 ARG A 23 83.625 -3.231 -4.329 1.00 0.00 H new ATOM 0 HE ARG A 23 85.034 -5.125 -6.128 1.00 0.00 H new ATOM 0 HH11 ARG A 23 82.189 -3.227 -5.336 1.00 0.00 H new ATOM 0 HH12 ARG A 23 81.109 -4.179 -6.361 1.00 0.00 H new ATOM 0 HH21 ARG A 23 83.624 -6.345 -7.438 1.00 0.00 H new ATOM 0 HH22 ARG A 23 81.911 -5.922 -7.536 1.00 0.00 H new ATOM 329 N GLU A 24 81.792 1.314 -6.233 1.00 0.00 N ATOM 330 CA GLU A 24 80.843 2.113 -6.994 1.00 0.00 C ATOM 331 C GLU A 24 81.229 3.583 -6.956 1.00 0.00 C ATOM 332 O GLU A 24 81.064 4.307 -7.930 1.00 0.00 O ATOM 333 CB GLU A 24 79.433 1.936 -6.429 1.00 0.00 C ATOM 334 CG GLU A 24 78.510 1.387 -7.520 1.00 0.00 C ATOM 335 CD GLU A 24 78.889 -0.054 -7.845 1.00 0.00 C ATOM 336 OE1 GLU A 24 79.944 -0.483 -7.405 1.00 0.00 O ATOM 337 OE2 GLU A 24 78.120 -0.708 -8.529 1.00 0.00 O ATOM 0 H GLU A 24 81.465 1.025 -5.311 1.00 0.00 H new ATOM 0 HA GLU A 24 80.861 1.772 -8.029 1.00 0.00 H new ATOM 0 HB2 GLU A 24 79.454 1.254 -5.579 1.00 0.00 H new ATOM 0 HB3 GLU A 24 79.054 2.890 -6.064 1.00 0.00 H new ATOM 0 HG2 GLU A 24 77.473 1.433 -7.188 1.00 0.00 H new ATOM 0 HG3 GLU A 24 78.586 2.003 -8.416 1.00 0.00 H new ATOM 344 N ALA A 25 81.737 4.005 -5.816 1.00 0.00 N ATOM 345 CA ALA A 25 82.141 5.396 -5.625 1.00 0.00 C ATOM 346 C ALA A 25 83.284 5.785 -6.562 1.00 0.00 C ATOM 347 O ALA A 25 83.315 6.900 -7.083 1.00 0.00 O ATOM 348 CB ALA A 25 82.578 5.615 -4.175 1.00 0.00 C ATOM 0 H ALA A 25 81.883 3.408 -5.002 1.00 0.00 H new ATOM 0 HA ALA A 25 81.282 6.025 -5.856 1.00 0.00 H new ATOM 0 HB1 ALA A 25 82.878 6.654 -4.038 1.00 0.00 H new ATOM 0 HB2 ALA A 25 81.748 5.386 -3.506 1.00 0.00 H new ATOM 0 HB3 ALA A 25 83.419 4.961 -3.946 1.00 0.00 H new ATOM 354 N ILE A 26 84.226 4.871 -6.767 1.00 0.00 N ATOM 355 CA ILE A 26 85.365 5.154 -7.636 1.00 0.00 C ATOM 356 C ILE A 26 84.936 5.193 -9.097 1.00 0.00 C ATOM 357 O ILE A 26 85.534 5.903 -9.907 1.00 0.00 O ATOM 358 CB ILE A 26 86.456 4.095 -7.438 1.00 0.00 C ATOM 359 CG1 ILE A 26 87.832 4.774 -7.415 1.00 0.00 C ATOM 360 CG2 ILE A 26 86.415 3.071 -8.579 1.00 0.00 C ATOM 361 CD1 ILE A 26 88.929 3.708 -7.451 1.00 0.00 C ATOM 0 H ILE A 26 84.226 3.940 -6.350 1.00 0.00 H new ATOM 0 HA ILE A 26 85.764 6.132 -7.368 1.00 0.00 H new ATOM 0 HB ILE A 26 86.281 3.582 -6.492 1.00 0.00 H new ATOM 0 HG12 ILE A 26 87.933 5.444 -8.269 1.00 0.00 H new ATOM 0 HG13 ILE A 26 87.933 5.384 -6.518 1.00 0.00 H new ATOM 0 HG21 ILE A 26 87.195 2.325 -8.426 1.00 0.00 H new ATOM 0 HG22 ILE A 26 85.441 2.581 -8.593 1.00 0.00 H new ATOM 0 HG23 ILE A 26 86.580 3.579 -9.529 1.00 0.00 H new ATOM 0 HD11 ILE A 26 89.906 4.191 -7.435 1.00 0.00 H new ATOM 0 HD12 ILE A 26 88.832 3.056 -6.583 1.00 0.00 H new ATOM 0 HD13 ILE A 26 88.832 3.116 -8.361 1.00 0.00 H new ATOM 373 N ASP A 27 83.903 4.428 -9.435 1.00 0.00 N ATOM 374 CA ASP A 27 83.426 4.397 -10.815 1.00 0.00 C ATOM 375 C ASP A 27 81.963 3.972 -10.893 1.00 0.00 C ATOM 376 O ASP A 27 81.631 2.986 -11.551 1.00 0.00 O ATOM 377 CB ASP A 27 84.280 3.430 -11.637 1.00 0.00 C ATOM 378 CG ASP A 27 83.749 3.349 -13.064 1.00 0.00 C ATOM 379 OD1 ASP A 27 83.890 4.325 -13.783 1.00 0.00 O ATOM 380 OD2 ASP A 27 83.210 2.314 -13.417 1.00 0.00 O ATOM 0 H ASP A 27 83.388 3.832 -8.787 1.00 0.00 H new ATOM 0 HA ASP A 27 83.510 5.406 -11.219 1.00 0.00 H new ATOM 0 HB2 ASP A 27 85.317 3.764 -11.645 1.00 0.00 H new ATOM 0 HB3 ASP A 27 84.267 2.441 -11.179 1.00 0.00 H new ATOM 385 N LEU A 28 81.087 4.723 -10.234 1.00 0.00 N ATOM 386 CA LEU A 28 79.663 4.403 -10.262 1.00 0.00 C ATOM 387 C LEU A 28 79.094 4.688 -11.651 1.00 0.00 C ATOM 388 O LEU A 28 79.617 5.530 -12.381 1.00 0.00 O ATOM 389 CB LEU A 28 78.887 5.221 -9.220 1.00 0.00 C ATOM 390 CG LEU A 28 79.563 6.571 -8.994 1.00 0.00 C ATOM 391 CD1 LEU A 28 79.714 7.301 -10.328 1.00 0.00 C ATOM 392 CD2 LEU A 28 78.701 7.412 -8.051 1.00 0.00 C ATOM 0 H LEU A 28 81.331 5.545 -9.682 1.00 0.00 H new ATOM 0 HA LEU A 28 79.553 3.345 -10.024 1.00 0.00 H new ATOM 0 HB2 LEU A 28 77.862 5.372 -9.557 1.00 0.00 H new ATOM 0 HB3 LEU A 28 78.836 4.671 -8.281 1.00 0.00 H new ATOM 0 HG LEU A 28 80.548 6.415 -8.555 1.00 0.00 H new ATOM 0 HD11 LEU A 28 80.197 8.264 -10.163 1.00 0.00 H new ATOM 0 HD12 LEU A 28 80.323 6.701 -11.004 1.00 0.00 H new ATOM 0 HD13 LEU A 28 78.730 7.459 -10.770 1.00 0.00 H new ATOM 0 HD21 LEU A 28 79.179 8.378 -7.886 1.00 0.00 H new ATOM 0 HD22 LEU A 28 77.718 7.565 -8.496 1.00 0.00 H new ATOM 0 HD23 LEU A 28 78.592 6.893 -7.099 1.00 0.00 H new ATOM 404 N PRO A 29 78.039 4.014 -12.027 1.00 0.00 N ATOM 405 CA PRO A 29 77.394 4.214 -13.358 1.00 0.00 C ATOM 406 C PRO A 29 77.000 5.673 -13.580 1.00 0.00 C ATOM 407 O PRO A 29 76.800 6.422 -12.623 1.00 0.00 O ATOM 408 CB PRO A 29 76.153 3.310 -13.321 1.00 0.00 C ATOM 409 CG PRO A 29 75.970 2.913 -11.891 1.00 0.00 C ATOM 410 CD PRO A 29 77.345 2.991 -11.237 1.00 0.00 C ATOM 0 HA PRO A 29 78.068 3.967 -14.178 1.00 0.00 H new ATOM 0 HB2 PRO A 29 75.275 3.838 -13.694 1.00 0.00 H new ATOM 0 HB3 PRO A 29 76.291 2.433 -13.954 1.00 0.00 H new ATOM 0 HG2 PRO A 29 75.265 3.578 -11.392 1.00 0.00 H new ATOM 0 HG3 PRO A 29 75.563 1.904 -11.818 1.00 0.00 H new ATOM 0 HD2 PRO A 29 77.275 3.273 -10.187 1.00 0.00 H new ATOM 0 HD3 PRO A 29 77.863 2.033 -11.276 1.00 0.00 H new ATOM 418 N GLN A 30 76.891 6.069 -14.843 1.00 0.00 N ATOM 419 CA GLN A 30 76.521 7.443 -15.171 1.00 0.00 C ATOM 420 C GLN A 30 75.162 7.793 -14.571 1.00 0.00 C ATOM 421 O GLN A 30 74.659 8.900 -14.755 1.00 0.00 O ATOM 422 CB GLN A 30 76.474 7.624 -16.689 1.00 0.00 C ATOM 423 CG GLN A 30 77.843 8.088 -17.191 1.00 0.00 C ATOM 424 CD GLN A 30 77.796 8.320 -18.697 1.00 0.00 C ATOM 425 OE1 GLN A 30 77.042 7.652 -19.405 1.00 0.00 O ATOM 426 NE2 GLN A 30 78.559 9.233 -19.234 1.00 0.00 N ATOM 0 H GLN A 30 77.051 5.466 -15.650 1.00 0.00 H new ATOM 0 HA GLN A 30 77.272 8.111 -14.749 1.00 0.00 H new ATOM 0 HB2 GLN A 30 76.198 6.685 -17.169 1.00 0.00 H new ATOM 0 HB3 GLN A 30 75.710 8.355 -16.955 1.00 0.00 H new ATOM 0 HG2 GLN A 30 78.133 9.007 -16.682 1.00 0.00 H new ATOM 0 HG3 GLN A 30 78.599 7.340 -16.954 1.00 0.00 H new ATOM 0 HE21 GLN A 30 79.183 9.786 -18.647 1.00 0.00 H new ATOM 0 HE22 GLN A 30 78.531 9.393 -20.241 1.00 0.00 H new ATOM 435 N ASP A 31 74.574 6.841 -13.852 1.00 0.00 N ATOM 436 CA ASP A 31 73.274 7.063 -13.231 1.00 0.00 C ATOM 437 C ASP A 31 73.440 7.690 -11.850 1.00 0.00 C ATOM 438 O ASP A 31 72.475 7.814 -11.095 1.00 0.00 O ATOM 439 CB ASP A 31 72.524 5.735 -13.103 1.00 0.00 C ATOM 440 CG ASP A 31 72.068 5.259 -14.477 1.00 0.00 C ATOM 441 OD1 ASP A 31 72.882 5.268 -15.387 1.00 0.00 O ATOM 442 OD2 ASP A 31 70.910 4.894 -14.602 1.00 0.00 O ATOM 0 H ASP A 31 74.973 5.917 -13.686 1.00 0.00 H new ATOM 0 HA ASP A 31 72.703 7.745 -13.861 1.00 0.00 H new ATOM 0 HB2 ASP A 31 73.170 4.986 -12.645 1.00 0.00 H new ATOM 0 HB3 ASP A 31 71.662 5.856 -12.447 1.00 0.00 H new ATOM 447 N ALA A 32 74.667 8.086 -11.526 1.00 0.00 N ATOM 448 CA ALA A 32 74.943 8.701 -10.233 1.00 0.00 C ATOM 449 C ALA A 32 76.088 9.701 -10.348 1.00 0.00 C ATOM 450 O ALA A 32 77.199 9.444 -9.885 1.00 0.00 O ATOM 451 CB ALA A 32 75.306 7.626 -9.206 1.00 0.00 C ATOM 0 H ALA A 32 75.480 7.993 -12.135 1.00 0.00 H new ATOM 0 HA ALA A 32 74.046 9.227 -9.906 1.00 0.00 H new ATOM 0 HB1 ALA A 32 75.510 8.096 -8.244 1.00 0.00 H new ATOM 0 HB2 ALA A 32 74.475 6.929 -9.100 1.00 0.00 H new ATOM 0 HB3 ALA A 32 76.192 7.087 -9.542 1.00 0.00 H new ATOM 457 N PRO A 33 75.834 10.831 -10.949 1.00 0.00 N ATOM 458 CA PRO A 33 76.859 11.902 -11.127 1.00 0.00 C ATOM 459 C PRO A 33 77.323 12.472 -9.787 1.00 0.00 C ATOM 460 O PRO A 33 77.846 13.584 -9.722 1.00 0.00 O ATOM 461 CB PRO A 33 76.146 12.978 -11.957 1.00 0.00 C ATOM 462 CG PRO A 33 74.904 12.340 -12.490 1.00 0.00 C ATOM 463 CD PRO A 33 74.542 11.212 -11.529 1.00 0.00 C ATOM 0 HA PRO A 33 77.759 11.523 -11.611 1.00 0.00 H new ATOM 0 HB2 PRO A 33 75.905 13.846 -11.344 1.00 0.00 H new ATOM 0 HB3 PRO A 33 76.783 13.328 -12.769 1.00 0.00 H new ATOM 0 HG2 PRO A 33 74.094 13.066 -12.556 1.00 0.00 H new ATOM 0 HG3 PRO A 33 75.069 11.953 -13.496 1.00 0.00 H new ATOM 0 HD2 PRO A 33 73.841 11.546 -10.764 1.00 0.00 H new ATOM 0 HD3 PRO A 33 74.073 10.377 -12.049 1.00 0.00 H new ATOM 471 N ASN A 34 77.126 11.699 -8.723 1.00 0.00 N ATOM 472 CA ASN A 34 77.524 12.127 -7.390 1.00 0.00 C ATOM 473 C ASN A 34 78.608 11.196 -6.844 1.00 0.00 C ATOM 474 O ASN A 34 78.474 10.607 -5.773 1.00 0.00 O ATOM 475 CB ASN A 34 76.294 12.137 -6.469 1.00 0.00 C ATOM 476 CG ASN A 34 75.095 11.547 -7.204 1.00 0.00 C ATOM 477 OD1 ASN A 34 74.646 10.447 -6.877 1.00 0.00 O ATOM 478 ND2 ASN A 34 74.547 12.214 -8.181 1.00 0.00 N ATOM 0 H ASN A 34 76.694 10.776 -8.760 1.00 0.00 H new ATOM 0 HA ASN A 34 77.935 13.136 -7.436 1.00 0.00 H new ATOM 0 HB2 ASN A 34 76.499 11.561 -5.567 1.00 0.00 H new ATOM 0 HB3 ASN A 34 76.073 13.156 -6.153 1.00 0.00 H new ATOM 0 HD21 ASN A 34 73.745 11.826 -8.677 1.00 0.00 H new ATOM 0 HD22 ASN A 34 74.921 13.124 -8.450 1.00 0.00 H new ATOM 485 N ARG A 35 79.690 11.068 -7.602 1.00 0.00 N ATOM 486 CA ARG A 35 80.799 10.209 -7.199 1.00 0.00 C ATOM 487 C ARG A 35 81.282 10.576 -5.801 1.00 0.00 C ATOM 488 O ARG A 35 81.559 9.701 -4.980 1.00 0.00 O ATOM 489 CB ARG A 35 81.962 10.330 -8.192 1.00 0.00 C ATOM 490 CG ARG A 35 81.784 11.570 -9.075 1.00 0.00 C ATOM 491 CD ARG A 35 80.842 11.244 -10.239 1.00 0.00 C ATOM 492 NE ARG A 35 81.575 10.571 -11.306 1.00 0.00 N ATOM 493 CZ ARG A 35 82.332 11.255 -12.157 1.00 0.00 C ATOM 494 NH1 ARG A 35 82.428 12.552 -12.044 1.00 0.00 N ATOM 495 NH2 ARG A 35 82.979 10.632 -13.103 1.00 0.00 N ATOM 0 H ARG A 35 79.824 11.544 -8.494 1.00 0.00 H new ATOM 0 HA ARG A 35 80.442 9.179 -7.192 1.00 0.00 H new ATOM 0 HB2 ARG A 35 82.906 10.394 -7.650 1.00 0.00 H new ATOM 0 HB3 ARG A 35 82.012 9.437 -8.814 1.00 0.00 H new ATOM 0 HG2 ARG A 35 81.379 12.393 -8.486 1.00 0.00 H new ATOM 0 HG3 ARG A 35 82.751 11.898 -9.458 1.00 0.00 H new ATOM 0 HD2 ARG A 35 80.028 10.609 -9.891 1.00 0.00 H new ATOM 0 HD3 ARG A 35 80.391 12.161 -10.619 1.00 0.00 H new ATOM 0 HE ARG A 35 81.505 9.558 -11.400 1.00 0.00 H new ATOM 0 HH11 ARG A 35 81.922 13.038 -11.303 1.00 0.00 H new ATOM 0 HH12 ARG A 35 83.009 13.079 -12.696 1.00 0.00 H new ATOM 0 HH21 ARG A 35 82.904 9.618 -13.190 1.00 0.00 H new ATOM 0 HH22 ARG A 35 83.560 11.158 -13.756 1.00 0.00 H new ATOM 509 N GLN A 36 81.386 11.874 -5.535 1.00 0.00 N ATOM 510 CA GLN A 36 81.844 12.342 -4.232 1.00 0.00 C ATOM 511 C GLN A 36 80.742 12.211 -3.183 1.00 0.00 C ATOM 512 O GLN A 36 81.022 12.023 -1.999 1.00 0.00 O ATOM 513 CB GLN A 36 82.285 13.802 -4.329 1.00 0.00 C ATOM 514 CG GLN A 36 82.991 14.208 -3.035 1.00 0.00 C ATOM 515 CD GLN A 36 83.173 15.722 -2.994 1.00 0.00 C ATOM 516 OE1 GLN A 36 82.920 16.351 -1.968 1.00 0.00 O ATOM 517 NE2 GLN A 36 83.600 16.345 -4.057 1.00 0.00 N ATOM 0 H GLN A 36 81.161 12.615 -6.199 1.00 0.00 H new ATOM 0 HA GLN A 36 82.687 11.723 -3.927 1.00 0.00 H new ATOM 0 HB2 GLN A 36 82.955 13.935 -5.179 1.00 0.00 H new ATOM 0 HB3 GLN A 36 81.421 14.443 -4.501 1.00 0.00 H new ATOM 0 HG2 GLN A 36 82.408 13.880 -2.174 1.00 0.00 H new ATOM 0 HG3 GLN A 36 83.961 13.715 -2.970 1.00 0.00 H new ATOM 0 HE21 GLN A 36 83.809 15.820 -4.906 1.00 0.00 H new ATOM 0 HE22 GLN A 36 83.725 17.357 -4.039 1.00 0.00 H new ATOM 526 N GLU A 37 79.491 12.318 -3.619 1.00 0.00 N ATOM 527 CA GLU A 37 78.363 12.216 -2.698 1.00 0.00 C ATOM 528 C GLU A 37 78.065 10.761 -2.358 1.00 0.00 C ATOM 529 O GLU A 37 78.027 10.389 -1.185 1.00 0.00 O ATOM 530 CB GLU A 37 77.123 12.869 -3.313 1.00 0.00 C ATOM 531 CG GLU A 37 76.672 14.036 -2.433 1.00 0.00 C ATOM 532 CD GLU A 37 75.336 14.576 -2.929 1.00 0.00 C ATOM 533 OE1 GLU A 37 75.167 14.668 -4.135 1.00 0.00 O ATOM 534 OE2 GLU A 37 74.500 14.892 -2.098 1.00 0.00 O ATOM 0 H GLU A 37 79.233 12.474 -4.594 1.00 0.00 H new ATOM 0 HA GLU A 37 78.628 12.737 -1.778 1.00 0.00 H new ATOM 0 HB2 GLU A 37 77.347 13.224 -4.319 1.00 0.00 H new ATOM 0 HB3 GLU A 37 76.321 12.137 -3.404 1.00 0.00 H new ATOM 0 HG2 GLU A 37 76.579 13.707 -1.398 1.00 0.00 H new ATOM 0 HG3 GLU A 37 77.422 14.827 -2.450 1.00 0.00 H new ATOM 541 N VAL A 38 77.859 9.936 -3.380 1.00 0.00 N ATOM 542 CA VAL A 38 77.575 8.526 -3.145 1.00 0.00 C ATOM 543 C VAL A 38 78.608 7.952 -2.186 1.00 0.00 C ATOM 544 O VAL A 38 78.295 7.111 -1.345 1.00 0.00 O ATOM 545 CB VAL A 38 77.595 7.750 -4.463 1.00 0.00 C ATOM 546 CG1 VAL A 38 77.298 6.275 -4.190 1.00 0.00 C ATOM 547 CG2 VAL A 38 76.530 8.319 -5.405 1.00 0.00 C ATOM 0 H VAL A 38 77.883 10.213 -4.361 1.00 0.00 H new ATOM 0 HA VAL A 38 76.582 8.433 -2.705 1.00 0.00 H new ATOM 0 HB VAL A 38 78.578 7.843 -4.926 1.00 0.00 H new ATOM 0 HG11 VAL A 38 77.312 5.721 -5.129 1.00 0.00 H new ATOM 0 HG12 VAL A 38 78.055 5.870 -3.518 1.00 0.00 H new ATOM 0 HG13 VAL A 38 76.315 6.181 -3.728 1.00 0.00 H new ATOM 0 HG21 VAL A 38 76.543 7.767 -6.345 1.00 0.00 H new ATOM 0 HG22 VAL A 38 75.547 8.225 -4.943 1.00 0.00 H new ATOM 0 HG23 VAL A 38 76.740 9.371 -5.599 1.00 0.00 H new ATOM 557 N GLN A 39 79.842 8.428 -2.314 1.00 0.00 N ATOM 558 CA GLN A 39 80.920 7.972 -1.447 1.00 0.00 C ATOM 559 C GLN A 39 80.584 8.268 0.011 1.00 0.00 C ATOM 560 O GLN A 39 80.972 7.524 0.911 1.00 0.00 O ATOM 561 CB GLN A 39 82.226 8.674 -1.827 1.00 0.00 C ATOM 562 CG GLN A 39 83.360 8.164 -0.936 1.00 0.00 C ATOM 563 CD GLN A 39 83.873 9.291 -0.046 1.00 0.00 C ATOM 564 OE1 GLN A 39 84.125 9.081 1.140 1.00 0.00 O ATOM 565 NE2 GLN A 39 84.044 10.482 -0.551 1.00 0.00 N ATOM 0 H GLN A 39 80.119 9.125 -3.005 1.00 0.00 H new ATOM 0 HA GLN A 39 81.039 6.896 -1.572 1.00 0.00 H new ATOM 0 HB2 GLN A 39 82.460 8.486 -2.875 1.00 0.00 H new ATOM 0 HB3 GLN A 39 82.117 9.753 -1.713 1.00 0.00 H new ATOM 0 HG2 GLN A 39 83.006 7.337 -0.321 1.00 0.00 H new ATOM 0 HG3 GLN A 39 84.172 7.778 -1.552 1.00 0.00 H new ATOM 0 HE21 GLN A 39 83.835 10.654 -1.534 1.00 0.00 H new ATOM 0 HE22 GLN A 39 84.387 11.241 0.038 1.00 0.00 H new ATOM 574 N ASP A 40 79.856 9.360 0.236 1.00 0.00 N ATOM 575 CA ASP A 40 79.471 9.741 1.590 1.00 0.00 C ATOM 576 C ASP A 40 78.549 8.691 2.200 1.00 0.00 C ATOM 577 O ASP A 40 78.647 8.381 3.387 1.00 0.00 O ATOM 578 CB ASP A 40 78.764 11.098 1.573 1.00 0.00 C ATOM 579 CG ASP A 40 79.077 11.862 2.855 1.00 0.00 C ATOM 580 OD1 ASP A 40 78.438 11.588 3.857 1.00 0.00 O ATOM 581 OD2 ASP A 40 79.953 12.712 2.815 1.00 0.00 O ATOM 0 H ASP A 40 79.524 9.990 -0.495 1.00 0.00 H new ATOM 0 HA ASP A 40 80.374 9.812 2.197 1.00 0.00 H new ATOM 0 HB2 ASP A 40 79.087 11.676 0.707 1.00 0.00 H new ATOM 0 HB3 ASP A 40 77.688 10.956 1.478 1.00 0.00 H new ATOM 586 N THR A 41 77.659 8.139 1.381 1.00 0.00 N ATOM 587 CA THR A 41 76.735 7.120 1.860 1.00 0.00 C ATOM 588 C THR A 41 77.511 5.948 2.449 1.00 0.00 C ATOM 589 O THR A 41 77.090 5.342 3.434 1.00 0.00 O ATOM 590 CB THR A 41 75.847 6.627 0.713 1.00 0.00 C ATOM 591 OG1 THR A 41 74.884 7.623 0.401 1.00 0.00 O ATOM 592 CG2 THR A 41 75.137 5.340 1.134 1.00 0.00 C ATOM 0 H THR A 41 77.559 8.377 0.394 1.00 0.00 H new ATOM 0 HA THR A 41 76.104 7.558 2.633 1.00 0.00 H new ATOM 0 HB THR A 41 76.462 6.429 -0.165 1.00 0.00 H new ATOM 0 HG1 THR A 41 74.316 7.310 -0.334 1.00 0.00 H new ATOM 0 HG21 THR A 41 74.505 4.989 0.318 1.00 0.00 H new ATOM 0 HG22 THR A 41 75.878 4.577 1.373 1.00 0.00 H new ATOM 0 HG23 THR A 41 74.521 5.535 2.012 1.00 0.00 H new ATOM 600 N ALA A 42 78.652 5.640 1.839 1.00 0.00 N ATOM 601 CA ALA A 42 79.488 4.546 2.312 1.00 0.00 C ATOM 602 C ALA A 42 80.062 4.873 3.686 1.00 0.00 C ATOM 603 O ALA A 42 80.213 3.993 4.534 1.00 0.00 O ATOM 604 CB ALA A 42 80.630 4.297 1.325 1.00 0.00 C ATOM 0 H ALA A 42 79.015 6.130 1.022 1.00 0.00 H new ATOM 0 HA ALA A 42 78.875 3.648 2.389 1.00 0.00 H new ATOM 0 HB1 ALA A 42 81.251 3.477 1.686 1.00 0.00 H new ATOM 0 HB2 ALA A 42 80.218 4.038 0.350 1.00 0.00 H new ATOM 0 HB3 ALA A 42 81.236 5.198 1.235 1.00 0.00 H new ATOM 610 N ARG A 43 80.378 6.147 3.901 1.00 0.00 N ATOM 611 CA ARG A 43 80.932 6.582 5.178 1.00 0.00 C ATOM 612 C ARG A 43 80.037 6.128 6.325 1.00 0.00 C ATOM 613 O ARG A 43 80.520 5.651 7.353 1.00 0.00 O ATOM 614 CB ARG A 43 81.061 8.106 5.203 1.00 0.00 C ATOM 615 CG ARG A 43 82.281 8.501 6.037 1.00 0.00 C ATOM 616 CD ARG A 43 82.261 10.009 6.291 1.00 0.00 C ATOM 617 NE ARG A 43 81.128 10.362 7.139 1.00 0.00 N ATOM 618 CZ ARG A 43 80.709 11.619 7.237 1.00 0.00 C ATOM 619 NH1 ARG A 43 81.313 12.563 6.568 1.00 0.00 N ATOM 620 NH2 ARG A 43 79.691 11.912 8.001 1.00 0.00 N ATOM 0 H ARG A 43 80.261 6.891 3.213 1.00 0.00 H new ATOM 0 HA ARG A 43 81.919 6.135 5.297 1.00 0.00 H new ATOM 0 HB2 ARG A 43 81.161 8.490 4.188 1.00 0.00 H new ATOM 0 HB3 ARG A 43 80.160 8.551 5.624 1.00 0.00 H new ATOM 0 HG2 ARG A 43 82.277 7.962 6.984 1.00 0.00 H new ATOM 0 HG3 ARG A 43 83.197 8.222 5.516 1.00 0.00 H new ATOM 0 HD2 ARG A 43 83.191 10.317 6.768 1.00 0.00 H new ATOM 0 HD3 ARG A 43 82.196 10.544 5.344 1.00 0.00 H new ATOM 0 HE ARG A 43 80.649 9.631 7.666 1.00 0.00 H new ATOM 0 HH11 ARG A 43 82.107 12.336 5.970 1.00 0.00 H new ATOM 0 HH12 ARG A 43 80.991 13.528 6.644 1.00 0.00 H new ATOM 0 HH21 ARG A 43 79.217 11.175 8.523 1.00 0.00 H new ATOM 0 HH22 ARG A 43 79.370 12.877 8.075 1.00 0.00 H new ATOM 634 N GLY A 44 78.729 6.277 6.142 1.00 0.00 N ATOM 635 CA GLY A 44 77.778 5.875 7.171 1.00 0.00 C ATOM 636 C GLY A 44 77.941 4.396 7.508 1.00 0.00 C ATOM 637 O GLY A 44 78.088 4.027 8.673 1.00 0.00 O ATOM 0 H GLY A 44 78.307 6.669 5.300 1.00 0.00 H new ATOM 0 HA2 GLY A 44 77.929 6.476 8.068 1.00 0.00 H new ATOM 0 HA3 GLY A 44 76.761 6.065 6.828 1.00 0.00 H new ATOM 641 N GLN A 45 77.923 3.556 6.478 1.00 0.00 N ATOM 642 CA GLN A 45 78.076 2.118 6.671 1.00 0.00 C ATOM 643 C GLN A 45 79.408 1.811 7.350 1.00 0.00 C ATOM 644 O GLN A 45 79.490 0.929 8.204 1.00 0.00 O ATOM 645 CB GLN A 45 78.011 1.401 5.322 1.00 0.00 C ATOM 646 CG GLN A 45 77.231 0.094 5.479 1.00 0.00 C ATOM 647 CD GLN A 45 75.733 0.374 5.442 1.00 0.00 C ATOM 648 OE1 GLN A 45 75.269 1.354 6.026 1.00 0.00 O ATOM 649 NE2 GLN A 45 74.943 -0.433 4.789 1.00 0.00 N ATOM 0 H GLN A 45 77.805 3.844 5.507 1.00 0.00 H new ATOM 0 HA GLN A 45 77.265 1.765 7.308 1.00 0.00 H new ATOM 0 HB2 GLN A 45 77.528 2.039 4.581 1.00 0.00 H new ATOM 0 HB3 GLN A 45 79.018 1.195 4.958 1.00 0.00 H new ATOM 0 HG2 GLN A 45 77.500 -0.598 4.681 1.00 0.00 H new ATOM 0 HG3 GLN A 45 77.496 -0.387 6.421 1.00 0.00 H new ATOM 0 HE21 GLN A 45 75.329 -1.244 4.306 1.00 0.00 H new ATOM 0 HE22 GLN A 45 73.939 -0.253 4.762 1.00 0.00 H new ATOM 658 N ILE A 46 80.448 2.545 6.971 1.00 0.00 N ATOM 659 CA ILE A 46 81.764 2.340 7.560 1.00 0.00 C ATOM 660 C ILE A 46 81.687 2.498 9.072 1.00 0.00 C ATOM 661 O ILE A 46 82.143 1.635 9.822 1.00 0.00 O ATOM 662 CB ILE A 46 82.764 3.341 6.980 1.00 0.00 C ATOM 663 CG1 ILE A 46 83.341 2.785 5.676 1.00 0.00 C ATOM 664 CG2 ILE A 46 83.897 3.573 7.979 1.00 0.00 C ATOM 665 CD1 ILE A 46 83.949 3.925 4.858 1.00 0.00 C ATOM 0 H ILE A 46 80.406 3.280 6.265 1.00 0.00 H new ATOM 0 HA ILE A 46 82.101 1.331 7.325 1.00 0.00 H new ATOM 0 HB ILE A 46 82.257 4.286 6.783 1.00 0.00 H new ATOM 0 HG12 ILE A 46 84.101 2.034 5.893 1.00 0.00 H new ATOM 0 HG13 ILE A 46 82.558 2.289 5.102 1.00 0.00 H new ATOM 0 HG21 ILE A 46 84.608 4.287 7.563 1.00 0.00 H new ATOM 0 HG22 ILE A 46 83.487 3.969 8.908 1.00 0.00 H new ATOM 0 HG23 ILE A 46 84.405 2.629 8.179 1.00 0.00 H new ATOM 0 HD11 ILE A 46 84.360 3.528 3.930 1.00 0.00 H new ATOM 0 HD12 ILE A 46 83.177 4.660 4.628 1.00 0.00 H new ATOM 0 HD13 ILE A 46 84.744 4.401 5.432 1.00 0.00 H new ATOM 677 N ASN A 47 81.090 3.598 9.516 1.00 0.00 N ATOM 678 CA ASN A 47 80.944 3.843 10.943 1.00 0.00 C ATOM 679 C ASN A 47 80.068 2.761 11.559 1.00 0.00 C ATOM 680 O ASN A 47 80.215 2.416 12.730 1.00 0.00 O ATOM 681 CB ASN A 47 80.309 5.215 11.177 1.00 0.00 C ATOM 682 CG ASN A 47 78.819 5.059 11.463 1.00 0.00 C ATOM 683 OD1 ASN A 47 78.439 4.501 12.492 1.00 0.00 O ATOM 684 ND2 ASN A 47 77.949 5.523 10.609 1.00 0.00 N ATOM 0 H ASN A 47 80.704 4.326 8.915 1.00 0.00 H new ATOM 0 HA ASN A 47 81.928 3.823 11.411 1.00 0.00 H new ATOM 0 HB2 ASN A 47 80.798 5.713 12.014 1.00 0.00 H new ATOM 0 HB3 ASN A 47 80.455 5.847 10.301 1.00 0.00 H new ATOM 0 HD21 ASN A 47 76.951 5.424 10.793 1.00 0.00 H new ATOM 0 HD22 ASN A 47 78.267 5.985 9.757 1.00 0.00 H new ATOM 691 N ASP A 48 79.156 2.232 10.755 1.00 0.00 N ATOM 692 CA ASP A 48 78.256 1.188 11.220 1.00 0.00 C ATOM 693 C ASP A 48 78.992 -0.137 11.383 1.00 0.00 C ATOM 694 O ASP A 48 78.869 -0.804 12.406 1.00 0.00 O ATOM 695 CB ASP A 48 77.113 1.010 10.224 1.00 0.00 C ATOM 696 CG ASP A 48 76.424 2.346 9.972 1.00 0.00 C ATOM 697 OD1 ASP A 48 76.807 3.317 10.605 1.00 0.00 O ATOM 698 OD2 ASP A 48 75.524 2.381 9.149 1.00 0.00 O ATOM 0 H ASP A 48 79.021 2.508 9.782 1.00 0.00 H new ATOM 0 HA ASP A 48 77.860 1.489 12.190 1.00 0.00 H new ATOM 0 HB2 ASP A 48 77.497 0.608 9.287 1.00 0.00 H new ATOM 0 HB3 ASP A 48 76.393 0.288 10.610 1.00 0.00 H new ATOM 703 N TYR A 49 79.748 -0.516 10.366 1.00 0.00 N ATOM 704 CA TYR A 49 80.485 -1.770 10.415 1.00 0.00 C ATOM 705 C TYR A 49 81.682 -1.655 11.354 1.00 0.00 C ATOM 706 O TYR A 49 81.870 -2.483 12.245 1.00 0.00 O ATOM 707 CB TYR A 49 80.966 -2.143 9.012 1.00 0.00 C ATOM 708 CG TYR A 49 82.005 -3.235 9.102 1.00 0.00 C ATOM 709 CD1 TYR A 49 81.677 -4.469 9.675 1.00 0.00 C ATOM 710 CD2 TYR A 49 83.297 -3.011 8.611 1.00 0.00 C ATOM 711 CE1 TYR A 49 82.642 -5.481 9.756 1.00 0.00 C ATOM 712 CE2 TYR A 49 84.261 -4.023 8.692 1.00 0.00 C ATOM 713 CZ TYR A 49 83.934 -5.257 9.264 1.00 0.00 C ATOM 714 OH TYR A 49 84.885 -6.255 9.344 1.00 0.00 O ATOM 0 H TYR A 49 79.868 0.019 9.506 1.00 0.00 H new ATOM 0 HA TYR A 49 79.820 -2.547 10.791 1.00 0.00 H new ATOM 0 HB2 TYR A 49 80.124 -2.478 8.406 1.00 0.00 H new ATOM 0 HB3 TYR A 49 81.387 -1.268 8.517 1.00 0.00 H new ATOM 0 HD1 TYR A 49 80.681 -4.641 10.054 1.00 0.00 H new ATOM 0 HD2 TYR A 49 83.550 -2.058 8.170 1.00 0.00 H new ATOM 0 HE1 TYR A 49 82.390 -6.434 10.198 1.00 0.00 H new ATOM 0 HE2 TYR A 49 85.257 -3.851 8.313 1.00 0.00 H new ATOM 0 HH TYR A 49 85.727 -5.936 8.957 1.00 0.00 H new ATOM 724 N ILE A 50 82.498 -0.631 11.133 1.00 0.00 N ATOM 725 CA ILE A 50 83.690 -0.418 11.947 1.00 0.00 C ATOM 726 C ILE A 50 83.359 0.130 13.339 1.00 0.00 C ATOM 727 O ILE A 50 84.071 -0.161 14.300 1.00 0.00 O ATOM 728 CB ILE A 50 84.637 0.549 11.234 1.00 0.00 C ATOM 729 CG1 ILE A 50 84.825 0.094 9.783 1.00 0.00 C ATOM 730 CG2 ILE A 50 85.991 0.558 11.945 1.00 0.00 C ATOM 731 CD1 ILE A 50 86.158 0.620 9.249 1.00 0.00 C ATOM 0 H ILE A 50 82.357 0.063 10.399 1.00 0.00 H new ATOM 0 HA ILE A 50 84.167 -1.389 12.080 1.00 0.00 H new ATOM 0 HB ILE A 50 84.214 1.553 11.251 1.00 0.00 H new ATOM 0 HG12 ILE A 50 84.803 -0.994 9.727 1.00 0.00 H new ATOM 0 HG13 ILE A 50 84.004 0.461 9.167 1.00 0.00 H new ATOM 0 HG21 ILE A 50 86.665 1.247 11.436 1.00 0.00 H new ATOM 0 HG22 ILE A 50 85.857 0.878 12.978 1.00 0.00 H new ATOM 0 HG23 ILE A 50 86.417 -0.445 11.928 1.00 0.00 H new ATOM 0 HD11 ILE A 50 86.290 0.295 8.217 1.00 0.00 H new ATOM 0 HD12 ILE A 50 86.162 1.709 9.290 1.00 0.00 H new ATOM 0 HD13 ILE A 50 86.973 0.231 9.859 1.00 0.00 H new ATOM 743 N SER A 51 82.311 0.948 13.445 1.00 0.00 N ATOM 744 CA SER A 51 81.965 1.540 14.742 1.00 0.00 C ATOM 745 C SER A 51 80.677 0.966 15.336 1.00 0.00 C ATOM 746 O SER A 51 79.941 1.672 16.027 1.00 0.00 O ATOM 747 CB SER A 51 81.830 3.058 14.600 1.00 0.00 C ATOM 748 OG SER A 51 82.641 3.693 15.578 1.00 0.00 O ATOM 0 H SER A 51 81.700 1.212 12.672 1.00 0.00 H new ATOM 0 HA SER A 51 82.774 1.291 15.428 1.00 0.00 H new ATOM 0 HB2 SER A 51 82.133 3.370 13.601 1.00 0.00 H new ATOM 0 HB3 SER A 51 80.789 3.356 14.725 1.00 0.00 H new ATOM 0 HG SER A 51 82.559 4.666 15.490 1.00 0.00 H new ATOM 754 N ARG A 52 80.414 -0.314 15.097 1.00 0.00 N ATOM 755 CA ARG A 52 79.219 -0.941 15.657 1.00 0.00 C ATOM 756 C ARG A 52 79.253 -2.452 15.434 1.00 0.00 C ATOM 757 O ARG A 52 78.873 -3.222 16.316 1.00 0.00 O ATOM 758 CB ARG A 52 77.952 -0.300 15.054 1.00 0.00 C ATOM 759 CG ARG A 52 76.976 -1.358 14.518 1.00 0.00 C ATOM 760 CD ARG A 52 76.472 -2.258 15.654 1.00 0.00 C ATOM 761 NE ARG A 52 77.015 -1.832 16.940 1.00 0.00 N ATOM 762 CZ ARG A 52 76.815 -2.550 18.040 1.00 0.00 C ATOM 763 NH1 ARG A 52 76.132 -3.660 17.980 1.00 0.00 N ATOM 764 NH2 ARG A 52 77.302 -2.142 19.181 1.00 0.00 N ATOM 0 H ARG A 52 80.998 -0.929 14.531 1.00 0.00 H new ATOM 0 HA ARG A 52 79.197 -0.772 16.734 1.00 0.00 H new ATOM 0 HB2 ARG A 52 77.453 0.303 15.813 1.00 0.00 H new ATOM 0 HB3 ARG A 52 78.235 0.375 14.246 1.00 0.00 H new ATOM 0 HG2 ARG A 52 76.131 -0.868 14.034 1.00 0.00 H new ATOM 0 HG3 ARG A 52 77.470 -1.965 13.759 1.00 0.00 H new ATOM 0 HD2 ARG A 52 75.383 -2.231 15.688 1.00 0.00 H new ATOM 0 HD3 ARG A 52 76.759 -3.291 15.459 1.00 0.00 H new ATOM 0 HE ARG A 52 77.557 -0.969 16.995 1.00 0.00 H new ATOM 0 HH11 ARG A 52 75.751 -3.977 17.088 1.00 0.00 H new ATOM 0 HH12 ARG A 52 75.979 -4.211 18.825 1.00 0.00 H new ATOM 0 HH21 ARG A 52 77.835 -1.273 19.227 1.00 0.00 H new ATOM 0 HH22 ARG A 52 77.149 -2.692 20.026 1.00 0.00 H new ATOM 778 N TYR A 53 79.732 -2.874 14.266 1.00 0.00 N ATOM 779 CA TYR A 53 79.823 -4.302 13.969 1.00 0.00 C ATOM 780 C TYR A 53 81.215 -4.656 13.448 1.00 0.00 C ATOM 781 O TYR A 53 81.358 -5.408 12.484 1.00 0.00 O ATOM 782 CB TYR A 53 78.764 -4.705 12.939 1.00 0.00 C ATOM 783 CG TYR A 53 78.141 -6.015 13.357 1.00 0.00 C ATOM 784 CD1 TYR A 53 78.943 -7.150 13.529 1.00 0.00 C ATOM 785 CD2 TYR A 53 76.761 -6.094 13.577 1.00 0.00 C ATOM 786 CE1 TYR A 53 78.365 -8.363 13.921 1.00 0.00 C ATOM 787 CE2 TYR A 53 76.183 -7.307 13.970 1.00 0.00 C ATOM 788 CZ TYR A 53 76.985 -8.442 14.140 1.00 0.00 C ATOM 789 OH TYR A 53 76.415 -9.637 14.526 1.00 0.00 O ATOM 0 H TYR A 53 80.058 -2.259 13.520 1.00 0.00 H new ATOM 0 HA TYR A 53 79.644 -4.852 14.893 1.00 0.00 H new ATOM 0 HB2 TYR A 53 77.999 -3.932 12.864 1.00 0.00 H new ATOM 0 HB3 TYR A 53 79.217 -4.802 11.952 1.00 0.00 H new ATOM 0 HD1 TYR A 53 80.008 -7.089 13.359 1.00 0.00 H new ATOM 0 HD2 TYR A 53 76.142 -5.219 13.444 1.00 0.00 H new ATOM 0 HE1 TYR A 53 78.984 -9.238 14.054 1.00 0.00 H new ATOM 0 HE2 TYR A 53 75.118 -7.367 14.142 1.00 0.00 H new ATOM 0 HH TYR A 53 75.449 -9.518 14.636 1.00 0.00 H new ATOM 799 N ARG A 54 82.239 -4.112 14.099 1.00 0.00 N ATOM 800 CA ARG A 54 83.615 -4.380 13.698 1.00 0.00 C ATOM 801 C ARG A 54 83.889 -5.880 13.684 1.00 0.00 C ATOM 802 O ARG A 54 84.587 -6.385 12.806 1.00 0.00 O ATOM 803 CB ARG A 54 84.581 -3.693 14.665 1.00 0.00 C ATOM 804 CG ARG A 54 83.814 -3.237 15.908 1.00 0.00 C ATOM 805 CD ARG A 54 84.804 -2.810 16.993 1.00 0.00 C ATOM 806 NE ARG A 54 84.195 -1.814 17.866 1.00 0.00 N ATOM 807 CZ ARG A 54 84.909 -1.177 18.787 1.00 0.00 C ATOM 808 NH1 ARG A 54 86.181 -1.438 18.922 1.00 0.00 N ATOM 809 NH2 ARG A 54 84.340 -0.290 19.557 1.00 0.00 N ATOM 0 H ARG A 54 82.143 -3.488 14.900 1.00 0.00 H new ATOM 0 HA ARG A 54 83.763 -3.987 12.692 1.00 0.00 H new ATOM 0 HB2 ARG A 54 85.380 -4.379 14.948 1.00 0.00 H new ATOM 0 HB3 ARG A 54 85.052 -2.838 14.180 1.00 0.00 H new ATOM 0 HG2 ARG A 54 83.154 -2.407 15.656 1.00 0.00 H new ATOM 0 HG3 ARG A 54 83.183 -4.046 16.275 1.00 0.00 H new ATOM 0 HD2 ARG A 54 85.111 -3.677 17.577 1.00 0.00 H new ATOM 0 HD3 ARG A 54 85.704 -2.400 16.534 1.00 0.00 H new ATOM 0 HE ARG A 54 83.202 -1.602 17.768 1.00 0.00 H new ATOM 0 HH11 ARG A 54 86.626 -2.131 18.320 1.00 0.00 H new ATOM 0 HH12 ARG A 54 86.730 -0.949 19.629 1.00 0.00 H new ATOM 0 HH21 ARG A 54 83.346 -0.086 19.452 1.00 0.00 H new ATOM 0 HH22 ARG A 54 84.889 0.199 20.264 1.00 0.00 H new ATOM 823 N ARG A 55 83.335 -6.587 14.664 1.00 0.00 N ATOM 824 CA ARG A 55 83.528 -8.030 14.754 1.00 0.00 C ATOM 825 C ARG A 55 83.341 -8.684 13.389 1.00 0.00 C ATOM 826 O ARG A 55 82.367 -8.412 12.687 1.00 0.00 O ATOM 827 CB ARG A 55 82.533 -8.629 15.748 1.00 0.00 C ATOM 828 CG ARG A 55 82.433 -7.727 16.978 1.00 0.00 C ATOM 829 CD ARG A 55 82.329 -8.590 18.236 1.00 0.00 C ATOM 830 NE ARG A 55 81.711 -7.832 19.319 1.00 0.00 N ATOM 831 CZ ARG A 55 82.330 -6.793 19.871 1.00 0.00 C ATOM 832 NH1 ARG A 55 83.507 -6.431 19.440 1.00 0.00 N ATOM 833 NH2 ARG A 55 81.758 -6.134 20.842 1.00 0.00 N ATOM 0 H ARG A 55 82.754 -6.188 15.401 1.00 0.00 H new ATOM 0 HA ARG A 55 84.545 -8.219 15.098 1.00 0.00 H new ATOM 0 HB2 ARG A 55 81.554 -8.733 15.280 1.00 0.00 H new ATOM 0 HB3 ARG A 55 82.854 -9.628 16.042 1.00 0.00 H new ATOM 0 HG2 ARG A 55 83.308 -7.080 17.039 1.00 0.00 H new ATOM 0 HG3 ARG A 55 81.561 -7.078 16.896 1.00 0.00 H new ATOM 0 HD2 ARG A 55 81.740 -9.483 18.025 1.00 0.00 H new ATOM 0 HD3 ARG A 55 83.321 -8.926 18.538 1.00 0.00 H new ATOM 0 HE ARG A 55 80.788 -8.104 19.658 1.00 0.00 H new ATOM 0 HH11 ARG A 55 83.952 -6.945 18.680 1.00 0.00 H new ATOM 0 HH12 ARG A 55 83.982 -5.634 19.863 1.00 0.00 H new ATOM 0 HH21 ARG A 55 80.837 -6.416 21.177 1.00 0.00 H new ATOM 0 HH22 ARG A 55 82.232 -5.337 21.266 1.00 0.00 H new ATOM 847 N LYS A 56 84.281 -9.549 13.020 1.00 0.00 N ATOM 848 CA LYS A 56 84.210 -10.238 11.737 1.00 0.00 C ATOM 849 C LYS A 56 84.657 -11.689 11.882 1.00 0.00 C ATOM 850 O LYS A 56 84.587 -12.265 12.968 1.00 0.00 O ATOM 851 CB LYS A 56 85.098 -9.528 10.714 1.00 0.00 C ATOM 852 CG LYS A 56 84.424 -9.564 9.341 1.00 0.00 C ATOM 853 CD LYS A 56 85.481 -9.388 8.250 1.00 0.00 C ATOM 854 CE LYS A 56 84.790 -9.143 6.907 1.00 0.00 C ATOM 855 NZ LYS A 56 85.043 -7.742 6.467 1.00 0.00 N ATOM 0 H LYS A 56 85.095 -9.788 13.587 1.00 0.00 H new ATOM 0 HA LYS A 56 83.176 -10.222 11.394 1.00 0.00 H new ATOM 0 HB2 LYS A 56 85.270 -8.496 11.020 1.00 0.00 H new ATOM 0 HB3 LYS A 56 86.073 -10.012 10.665 1.00 0.00 H new ATOM 0 HG2 LYS A 56 83.900 -10.510 9.206 1.00 0.00 H new ATOM 0 HG3 LYS A 56 83.677 -8.773 9.270 1.00 0.00 H new ATOM 0 HD2 LYS A 56 86.134 -8.550 8.493 1.00 0.00 H new ATOM 0 HD3 LYS A 56 86.110 -10.276 8.191 1.00 0.00 H new ATOM 0 HE2 LYS A 56 85.164 -9.843 6.160 1.00 0.00 H new ATOM 0 HE3 LYS A 56 83.718 -9.319 7.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 84.309 -7.453 5.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 85.020 -7.110 7.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 85.976 -7.684 6.012 1.00 0.00 H new ATOM 869 N GLY A 57 85.117 -12.274 10.780 1.00 0.00 N ATOM 870 CA GLY A 57 85.572 -13.659 10.794 1.00 0.00 C ATOM 871 C GLY A 57 86.873 -13.797 11.577 1.00 0.00 C ATOM 872 O GLY A 57 86.904 -14.404 12.647 1.00 0.00 O ATOM 0 H GLY A 57 85.184 -11.814 9.872 1.00 0.00 H new ATOM 0 HA2 GLY A 57 84.806 -14.293 11.240 1.00 0.00 H new ATOM 0 HA3 GLY A 57 85.719 -14.008 9.772 1.00 0.00 H new ATOM 876 N ASP A 58 87.946 -13.228 11.036 1.00 0.00 N ATOM 877 CA ASP A 58 89.247 -13.293 11.693 1.00 0.00 C ATOM 878 C ASP A 58 89.744 -14.733 11.760 1.00 0.00 C ATOM 879 O ASP A 58 90.558 -15.079 12.617 1.00 0.00 O ATOM 880 CB ASP A 58 89.147 -12.719 13.107 1.00 0.00 C ATOM 881 CG ASP A 58 90.536 -12.360 13.624 1.00 0.00 C ATOM 882 OD1 ASP A 58 91.294 -13.272 13.909 1.00 0.00 O ATOM 883 OD2 ASP A 58 90.821 -11.179 13.726 1.00 0.00 O ATOM 0 H ASP A 58 87.941 -12.720 10.151 1.00 0.00 H new ATOM 0 HA ASP A 58 89.956 -12.704 11.111 1.00 0.00 H new ATOM 0 HB2 ASP A 58 88.511 -11.834 13.105 1.00 0.00 H new ATOM 0 HB3 ASP A 58 88.679 -13.446 13.771 1.00 0.00 H new ATOM 888 N ALA A 59 89.250 -15.568 10.852 1.00 0.00 N ATOM 889 CA ALA A 59 89.653 -16.969 10.819 1.00 0.00 C ATOM 890 C ALA A 59 91.139 -17.105 11.132 1.00 0.00 C ATOM 891 O ALA A 59 91.525 -17.309 12.284 1.00 0.00 O ATOM 892 CB ALA A 59 89.366 -17.564 9.439 1.00 0.00 C ATOM 0 H ALA A 59 88.575 -15.302 10.135 1.00 0.00 H new ATOM 0 HA ALA A 59 89.081 -17.509 11.574 1.00 0.00 H new ATOM 0 HB1 ALA A 59 89.670 -18.611 9.424 1.00 0.00 H new ATOM 0 HB2 ALA A 59 88.299 -17.493 9.227 1.00 0.00 H new ATOM 0 HB3 ALA A 59 89.924 -17.013 8.682 1.00 0.00 H new ATOM 898 N GLY A 60 91.969 -16.991 10.100 1.00 0.00 N ATOM 899 CA GLY A 60 93.412 -17.103 10.276 1.00 0.00 C ATOM 900 C GLY A 60 94.152 -16.519 9.079 1.00 0.00 C ATOM 901 O GLY A 60 94.789 -17.245 8.316 1.00 0.00 O ATOM 0 H GLY A 60 91.670 -16.822 9.140 1.00 0.00 H new ATOM 0 HA2 GLY A 60 93.713 -16.582 11.185 1.00 0.00 H new ATOM 0 HA3 GLY A 60 93.687 -18.150 10.403 1.00 0.00 H new ATOM 905 N GLY A 61 94.064 -15.203 8.920 1.00 0.00 N ATOM 906 CA GLY A 61 94.730 -14.531 7.811 1.00 0.00 C ATOM 907 C GLY A 61 93.837 -13.447 7.216 1.00 0.00 C ATOM 908 O GLY A 61 94.139 -12.257 7.314 1.00 0.00 O ATOM 0 H GLY A 61 93.542 -14.584 9.540 1.00 0.00 H new ATOM 0 HA2 GLY A 61 95.664 -14.089 8.157 1.00 0.00 H new ATOM 0 HA3 GLY A 61 94.987 -15.259 7.041 1.00 0.00 H new ATOM 912 N LEU A 62 92.736 -13.867 6.602 1.00 0.00 N ATOM 913 CA LEU A 62 91.804 -12.925 5.995 1.00 0.00 C ATOM 914 C LEU A 62 92.555 -11.754 5.369 1.00 0.00 C ATOM 915 O LEU A 62 92.886 -10.781 6.047 1.00 0.00 O ATOM 916 CB LEU A 62 90.828 -12.401 7.049 1.00 0.00 C ATOM 917 CG LEU A 62 89.401 -12.788 6.660 1.00 0.00 C ATOM 918 CD1 LEU A 62 89.235 -14.304 6.766 1.00 0.00 C ATOM 919 CD2 LEU A 62 88.412 -12.100 7.604 1.00 0.00 C ATOM 0 H LEU A 62 92.469 -14.847 6.512 1.00 0.00 H new ATOM 0 HA LEU A 62 91.250 -13.446 5.214 1.00 0.00 H new ATOM 0 HB2 LEU A 62 91.075 -12.815 8.026 1.00 0.00 H new ATOM 0 HB3 LEU A 62 90.913 -11.317 7.132 1.00 0.00 H new ATOM 0 HG LEU A 62 89.206 -12.473 5.635 1.00 0.00 H new ATOM 0 HD11 LEU A 62 88.217 -14.579 6.489 1.00 0.00 H new ATOM 0 HD12 LEU A 62 89.939 -14.795 6.095 1.00 0.00 H new ATOM 0 HD13 LEU A 62 89.430 -14.621 7.791 1.00 0.00 H new ATOM 0 HD21 LEU A 62 87.394 -12.375 7.328 1.00 0.00 H new ATOM 0 HD22 LEU A 62 88.608 -12.415 8.629 1.00 0.00 H new ATOM 0 HD23 LEU A 62 88.529 -11.019 7.529 1.00 0.00 H new ATOM 931 N LYS A 63 92.819 -11.854 4.070 1.00 0.00 N ATOM 932 CA LYS A 63 93.532 -10.797 3.362 1.00 0.00 C ATOM 933 C LYS A 63 92.550 -9.783 2.784 1.00 0.00 C ATOM 934 O LYS A 63 92.948 -8.722 2.304 1.00 0.00 O ATOM 935 CB LYS A 63 94.373 -11.398 2.235 1.00 0.00 C ATOM 936 CG LYS A 63 93.448 -11.953 1.151 1.00 0.00 C ATOM 937 CD LYS A 63 94.256 -12.827 0.188 1.00 0.00 C ATOM 938 CE LYS A 63 93.611 -12.791 -1.198 1.00 0.00 C ATOM 939 NZ LYS A 63 92.192 -13.234 -1.097 1.00 0.00 N ATOM 0 H LYS A 63 92.552 -12.650 3.490 1.00 0.00 H new ATOM 0 HA LYS A 63 94.186 -10.288 4.070 1.00 0.00 H new ATOM 0 HB2 LYS A 63 95.031 -10.639 1.813 1.00 0.00 H new ATOM 0 HB3 LYS A 63 95.011 -12.191 2.625 1.00 0.00 H new ATOM 0 HG2 LYS A 63 92.648 -12.538 1.605 1.00 0.00 H new ATOM 0 HG3 LYS A 63 92.976 -11.135 0.607 1.00 0.00 H new ATOM 0 HD2 LYS A 63 95.284 -12.470 0.132 1.00 0.00 H new ATOM 0 HD3 LYS A 63 94.295 -13.852 0.556 1.00 0.00 H new ATOM 0 HE2 LYS A 63 93.660 -11.782 -1.608 1.00 0.00 H new ATOM 0 HE3 LYS A 63 94.158 -13.440 -1.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 91.829 -13.454 -2.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 92.135 -14.083 -0.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 91.620 -12.474 -0.675 1.00 0.00 H new ATOM 953 N SER A 64 91.264 -10.119 2.832 1.00 0.00 N ATOM 954 CA SER A 64 90.231 -9.232 2.310 1.00 0.00 C ATOM 955 C SER A 64 90.008 -8.053 3.253 1.00 0.00 C ATOM 956 O SER A 64 89.855 -6.914 2.813 1.00 0.00 O ATOM 957 CB SER A 64 88.921 -10.001 2.139 1.00 0.00 C ATOM 958 OG SER A 64 89.203 -11.308 1.656 1.00 0.00 O ATOM 0 H SER A 64 90.915 -10.993 3.224 1.00 0.00 H new ATOM 0 HA SER A 64 90.561 -8.853 1.343 1.00 0.00 H new ATOM 0 HB2 SER A 64 88.393 -10.059 3.091 1.00 0.00 H new ATOM 0 HB3 SER A 64 88.266 -9.477 1.443 1.00 0.00 H new ATOM 0 HG SER A 64 88.365 -11.804 1.547 1.00 0.00 H new ATOM 964 N PHE A 65 89.990 -8.337 4.551 1.00 0.00 N ATOM 965 CA PHE A 65 89.781 -7.294 5.549 1.00 0.00 C ATOM 966 C PHE A 65 91.045 -6.457 5.725 1.00 0.00 C ATOM 967 O PHE A 65 90.974 -5.244 5.921 1.00 0.00 O ATOM 968 CB PHE A 65 89.394 -7.924 6.888 1.00 0.00 C ATOM 969 CG PHE A 65 90.002 -7.127 8.017 1.00 0.00 C ATOM 970 CD1 PHE A 65 89.552 -5.827 8.277 1.00 0.00 C ATOM 971 CD2 PHE A 65 91.016 -7.688 8.804 1.00 0.00 C ATOM 972 CE1 PHE A 65 90.118 -5.088 9.323 1.00 0.00 C ATOM 973 CE2 PHE A 65 91.580 -6.949 9.850 1.00 0.00 C ATOM 974 CZ PHE A 65 91.131 -5.649 10.110 1.00 0.00 C ATOM 0 H PHE A 65 90.117 -9.274 4.935 1.00 0.00 H new ATOM 0 HA PHE A 65 88.975 -6.645 5.205 1.00 0.00 H new ATOM 0 HB2 PHE A 65 88.309 -7.949 6.990 1.00 0.00 H new ATOM 0 HB3 PHE A 65 89.742 -8.956 6.930 1.00 0.00 H new ATOM 0 HD1 PHE A 65 88.769 -5.395 7.671 1.00 0.00 H new ATOM 0 HD2 PHE A 65 91.363 -8.691 8.603 1.00 0.00 H new ATOM 0 HE1 PHE A 65 89.773 -4.084 9.523 1.00 0.00 H new ATOM 0 HE2 PHE A 65 92.362 -7.382 10.457 1.00 0.00 H new ATOM 0 HZ PHE A 65 91.566 -5.079 10.918 1.00 0.00 H new ATOM 984 N THR A 66 92.198 -7.112 5.658 1.00 0.00 N ATOM 985 CA THR A 66 93.469 -6.416 5.816 1.00 0.00 C ATOM 986 C THR A 66 93.580 -5.252 4.837 1.00 0.00 C ATOM 987 O THR A 66 94.119 -4.198 5.175 1.00 0.00 O ATOM 988 CB THR A 66 94.630 -7.388 5.592 1.00 0.00 C ATOM 989 OG1 THR A 66 94.405 -8.572 6.344 1.00 0.00 O ATOM 990 CG2 THR A 66 95.939 -6.736 6.041 1.00 0.00 C ATOM 0 H THR A 66 92.279 -8.116 5.497 1.00 0.00 H new ATOM 0 HA THR A 66 93.515 -6.021 6.831 1.00 0.00 H new ATOM 0 HB THR A 66 94.697 -7.637 4.533 1.00 0.00 H new ATOM 0 HG1 THR A 66 93.821 -9.175 5.838 1.00 0.00 H new ATOM 0 HG21 THR A 66 96.765 -7.429 5.881 1.00 0.00 H new ATOM 0 HG22 THR A 66 96.110 -5.828 5.463 1.00 0.00 H new ATOM 0 HG23 THR A 66 95.876 -6.485 7.100 1.00 0.00 H new ATOM 998 N THR A 67 93.067 -5.442 3.626 1.00 0.00 N ATOM 999 CA THR A 67 93.120 -4.392 2.622 1.00 0.00 C ATOM 1000 C THR A 67 92.254 -3.214 3.045 1.00 0.00 C ATOM 1001 O THR A 67 92.648 -2.060 2.900 1.00 0.00 O ATOM 1002 CB THR A 67 92.620 -4.926 1.285 1.00 0.00 C ATOM 1003 OG1 THR A 67 92.293 -6.302 1.417 1.00 0.00 O ATOM 1004 CG2 THR A 67 93.704 -4.755 0.220 1.00 0.00 C ATOM 0 H THR A 67 92.615 -6.304 3.321 1.00 0.00 H new ATOM 0 HA THR A 67 94.154 -4.061 2.521 1.00 0.00 H new ATOM 0 HB THR A 67 91.733 -4.369 0.984 1.00 0.00 H new ATOM 0 HG1 THR A 67 91.418 -6.390 1.850 1.00 0.00 H new ATOM 0 HG21 THR A 67 93.341 -5.138 -0.734 1.00 0.00 H new ATOM 0 HG22 THR A 67 93.949 -3.698 0.116 1.00 0.00 H new ATOM 0 HG23 THR A 67 94.596 -5.307 0.517 1.00 0.00 H new ATOM 1012 N MET A 68 91.071 -3.516 3.570 1.00 0.00 N ATOM 1013 CA MET A 68 90.161 -2.469 4.011 1.00 0.00 C ATOM 1014 C MET A 68 90.889 -1.500 4.932 1.00 0.00 C ATOM 1015 O MET A 68 90.848 -0.288 4.731 1.00 0.00 O ATOM 1016 CB MET A 68 88.969 -3.083 4.749 1.00 0.00 C ATOM 1017 CG MET A 68 88.161 -3.954 3.784 1.00 0.00 C ATOM 1018 SD MET A 68 86.716 -3.030 3.204 1.00 0.00 S ATOM 1019 CE MET A 68 85.508 -3.765 4.334 1.00 0.00 C ATOM 0 H MET A 68 90.724 -4.466 3.699 1.00 0.00 H new ATOM 0 HA MET A 68 89.799 -1.929 3.136 1.00 0.00 H new ATOM 0 HB2 MET A 68 89.318 -3.682 5.590 1.00 0.00 H new ATOM 0 HB3 MET A 68 88.337 -2.295 5.159 1.00 0.00 H new ATOM 0 HG2 MET A 68 88.781 -4.249 2.938 1.00 0.00 H new ATOM 0 HG3 MET A 68 87.844 -4.870 4.282 1.00 0.00 H new ATOM 0 HE1 MET A 68 84.525 -3.331 4.148 1.00 0.00 H new ATOM 0 HE2 MET A 68 85.466 -4.842 4.171 1.00 0.00 H new ATOM 0 HE3 MET A 68 85.804 -3.565 5.364 1.00 0.00 H new ATOM 1029 N GLN A 69 91.565 -2.044 5.938 1.00 0.00 N ATOM 1030 CA GLN A 69 92.308 -1.214 6.876 1.00 0.00 C ATOM 1031 C GLN A 69 93.423 -0.467 6.152 1.00 0.00 C ATOM 1032 O GLN A 69 93.848 0.605 6.584 1.00 0.00 O ATOM 1033 CB GLN A 69 92.908 -2.085 7.982 1.00 0.00 C ATOM 1034 CG GLN A 69 93.012 -1.273 9.275 1.00 0.00 C ATOM 1035 CD GLN A 69 93.949 -1.973 10.254 1.00 0.00 C ATOM 1036 OE1 GLN A 69 95.154 -1.722 10.249 1.00 0.00 O ATOM 1037 NE2 GLN A 69 93.464 -2.841 11.099 1.00 0.00 N ATOM 0 H GLN A 69 91.613 -3.046 6.123 1.00 0.00 H new ATOM 0 HA GLN A 69 91.624 -0.490 7.318 1.00 0.00 H new ATOM 0 HB2 GLN A 69 92.286 -2.966 8.143 1.00 0.00 H new ATOM 0 HB3 GLN A 69 93.894 -2.441 7.684 1.00 0.00 H new ATOM 0 HG2 GLN A 69 93.382 -0.271 9.057 1.00 0.00 H new ATOM 0 HG3 GLN A 69 92.025 -1.157 9.722 1.00 0.00 H new ATOM 0 HE21 GLN A 69 92.465 -3.047 11.101 1.00 0.00 H new ATOM 0 HE22 GLN A 69 94.084 -3.313 11.757 1.00 0.00 H new ATOM 1046 N THR A 70 93.895 -1.042 5.049 1.00 0.00 N ATOM 1047 CA THR A 70 94.965 -0.421 4.277 1.00 0.00 C ATOM 1048 C THR A 70 94.422 0.687 3.377 1.00 0.00 C ATOM 1049 O THR A 70 94.947 1.800 3.369 1.00 0.00 O ATOM 1050 CB THR A 70 95.667 -1.477 3.420 1.00 0.00 C ATOM 1051 OG1 THR A 70 95.993 -2.599 4.228 1.00 0.00 O ATOM 1052 CG2 THR A 70 96.946 -0.886 2.825 1.00 0.00 C ATOM 0 H THR A 70 93.557 -1.928 4.673 1.00 0.00 H new ATOM 0 HA THR A 70 95.676 0.019 4.976 1.00 0.00 H new ATOM 0 HB THR A 70 95.005 -1.790 2.613 1.00 0.00 H new ATOM 0 HG1 THR A 70 95.204 -3.172 4.325 1.00 0.00 H new ATOM 0 HG21 THR A 70 97.445 -1.639 2.215 1.00 0.00 H new ATOM 0 HG22 THR A 70 96.695 -0.025 2.206 1.00 0.00 H new ATOM 0 HG23 THR A 70 97.611 -0.572 3.630 1.00 0.00 H new ATOM 1060 N ALA A 71 93.376 0.379 2.613 1.00 0.00 N ATOM 1061 CA ALA A 71 92.791 1.370 1.713 1.00 0.00 C ATOM 1062 C ALA A 71 91.921 2.365 2.473 1.00 0.00 C ATOM 1063 O ALA A 71 91.848 3.533 2.101 1.00 0.00 O ATOM 1064 CB ALA A 71 91.949 0.685 0.635 1.00 0.00 C ATOM 0 H ALA A 71 92.922 -0.534 2.598 1.00 0.00 H new ATOM 0 HA ALA A 71 93.614 1.911 1.245 1.00 0.00 H new ATOM 0 HB1 ALA A 71 91.521 1.439 -0.026 1.00 0.00 H new ATOM 0 HB2 ALA A 71 92.579 0.010 0.056 1.00 0.00 H new ATOM 0 HB3 ALA A 71 91.146 0.118 1.106 1.00 0.00 H new ATOM 1070 N LEU A 72 91.257 1.899 3.527 1.00 0.00 N ATOM 1071 CA LEU A 72 90.381 2.769 4.309 1.00 0.00 C ATOM 1072 C LEU A 72 91.123 4.027 4.755 1.00 0.00 C ATOM 1073 O LEU A 72 90.636 5.140 4.562 1.00 0.00 O ATOM 1074 CB LEU A 72 89.855 2.016 5.536 1.00 0.00 C ATOM 1075 CG LEU A 72 89.076 2.974 6.444 1.00 0.00 C ATOM 1076 CD1 LEU A 72 87.976 3.664 5.634 1.00 0.00 C ATOM 1077 CD2 LEU A 72 88.440 2.187 7.595 1.00 0.00 C ATOM 0 H LEU A 72 91.307 0.935 3.857 1.00 0.00 H new ATOM 0 HA LEU A 72 89.542 3.066 3.679 1.00 0.00 H new ATOM 0 HB2 LEU A 72 89.210 1.196 5.221 1.00 0.00 H new ATOM 0 HB3 LEU A 72 90.686 1.575 6.086 1.00 0.00 H new ATOM 0 HG LEU A 72 89.757 3.723 6.848 1.00 0.00 H new ATOM 0 HD11 LEU A 72 87.422 4.345 6.280 1.00 0.00 H new ATOM 0 HD12 LEU A 72 88.425 4.225 4.815 1.00 0.00 H new ATOM 0 HD13 LEU A 72 87.296 2.914 5.230 1.00 0.00 H new ATOM 0 HD21 LEU A 72 87.886 2.869 8.240 1.00 0.00 H new ATOM 0 HD22 LEU A 72 87.760 1.437 7.191 1.00 0.00 H new ATOM 0 HD23 LEU A 72 89.221 1.694 8.174 1.00 0.00 H new ATOM 1089 N ASN A 73 92.296 3.849 5.348 1.00 0.00 N ATOM 1090 CA ASN A 73 93.077 4.991 5.810 1.00 0.00 C ATOM 1091 C ASN A 73 93.360 5.947 4.655 1.00 0.00 C ATOM 1092 O ASN A 73 93.189 7.159 4.784 1.00 0.00 O ATOM 1093 CB ASN A 73 94.399 4.513 6.414 1.00 0.00 C ATOM 1094 CG ASN A 73 95.227 5.710 6.864 1.00 0.00 C ATOM 1095 OD1 ASN A 73 96.383 5.554 7.261 1.00 0.00 O ATOM 1096 ND2 ASN A 73 94.704 6.905 6.826 1.00 0.00 N ATOM 0 H ASN A 73 92.724 2.939 5.519 1.00 0.00 H new ATOM 0 HA ASN A 73 92.501 5.517 6.571 1.00 0.00 H new ATOM 0 HB2 ASN A 73 94.205 3.855 7.261 1.00 0.00 H new ATOM 0 HB3 ASN A 73 94.955 3.931 5.679 1.00 0.00 H new ATOM 0 HD21 ASN A 73 95.252 7.711 7.125 1.00 0.00 H new ATOM 0 HD22 ASN A 73 93.747 7.033 6.497 1.00 0.00 H new ATOM 1103 N SER A 74 93.792 5.393 3.527 1.00 0.00 N ATOM 1104 CA SER A 74 94.097 6.206 2.354 1.00 0.00 C ATOM 1105 C SER A 74 92.821 6.751 1.718 1.00 0.00 C ATOM 1106 O SER A 74 92.815 7.847 1.159 1.00 0.00 O ATOM 1107 CB SER A 74 94.864 5.371 1.329 1.00 0.00 C ATOM 1108 OG SER A 74 95.990 6.108 0.872 1.00 0.00 O ATOM 0 H SER A 74 93.938 4.392 3.400 1.00 0.00 H new ATOM 0 HA SER A 74 94.710 7.048 2.674 1.00 0.00 H new ATOM 0 HB2 SER A 74 95.187 4.431 1.777 1.00 0.00 H new ATOM 0 HB3 SER A 74 94.215 5.118 0.490 1.00 0.00 H new ATOM 0 HG SER A 74 96.485 5.575 0.216 1.00 0.00 H new ATOM 1114 N LEU A 75 91.743 5.979 1.805 1.00 0.00 N ATOM 1115 CA LEU A 75 90.471 6.388 1.235 1.00 0.00 C ATOM 1116 C LEU A 75 90.125 7.800 1.667 1.00 0.00 C ATOM 1117 O LEU A 75 90.171 8.744 0.880 1.00 0.00 O ATOM 1118 CB LEU A 75 89.374 5.431 1.714 1.00 0.00 C ATOM 1119 CG LEU A 75 88.296 5.344 0.654 1.00 0.00 C ATOM 1120 CD1 LEU A 75 87.252 4.304 1.063 1.00 0.00 C ATOM 1121 CD2 LEU A 75 87.627 6.710 0.488 1.00 0.00 C ATOM 0 H LEU A 75 91.728 5.069 2.265 1.00 0.00 H new ATOM 0 HA LEU A 75 90.546 6.361 0.148 1.00 0.00 H new ATOM 0 HB2 LEU A 75 89.794 4.443 1.906 1.00 0.00 H new ATOM 0 HB3 LEU A 75 88.950 5.785 2.654 1.00 0.00 H new ATOM 0 HG LEU A 75 88.746 5.046 -0.293 1.00 0.00 H new ATOM 0 HD11 LEU A 75 86.478 4.245 0.298 1.00 0.00 H new ATOM 0 HD12 LEU A 75 87.731 3.331 1.171 1.00 0.00 H new ATOM 0 HD13 LEU A 75 86.802 4.594 2.012 1.00 0.00 H new ATOM 0 HD21 LEU A 75 86.852 6.645 -0.275 1.00 0.00 H new ATOM 0 HD22 LEU A 75 87.180 7.014 1.435 1.00 0.00 H new ATOM 0 HD23 LEU A 75 88.372 7.446 0.186 1.00 0.00 H new ATOM 1133 N ALA A 76 89.773 7.918 2.931 1.00 0.00 N ATOM 1134 CA ALA A 76 89.405 9.207 3.503 1.00 0.00 C ATOM 1135 C ALA A 76 90.410 10.274 3.088 1.00 0.00 C ATOM 1136 O ALA A 76 90.073 11.454 2.990 1.00 0.00 O ATOM 1137 CB ALA A 76 89.363 9.109 5.030 1.00 0.00 C ATOM 0 H ALA A 76 89.732 7.138 3.587 1.00 0.00 H new ATOM 0 HA ALA A 76 88.418 9.484 3.132 1.00 0.00 H new ATOM 0 HB1 ALA A 76 89.087 10.077 5.449 1.00 0.00 H new ATOM 0 HB2 ALA A 76 88.627 8.362 5.327 1.00 0.00 H new ATOM 0 HB3 ALA A 76 90.345 8.819 5.403 1.00 0.00 H new ATOM 1143 N GLY A 77 91.645 9.851 2.840 1.00 0.00 N ATOM 1144 CA GLY A 77 92.689 10.780 2.429 1.00 0.00 C ATOM 1145 C GLY A 77 92.253 11.563 1.196 1.00 0.00 C ATOM 1146 O GLY A 77 92.577 12.741 1.049 1.00 0.00 O ATOM 0 H GLY A 77 91.945 8.879 2.916 1.00 0.00 H new ATOM 0 HA2 GLY A 77 92.912 11.469 3.244 1.00 0.00 H new ATOM 0 HA3 GLY A 77 93.607 10.233 2.214 1.00 0.00 H new ATOM 1150 N TYR A 78 91.513 10.899 0.313 1.00 0.00 N ATOM 1151 CA TYR A 78 91.032 11.541 -0.905 1.00 0.00 C ATOM 1152 C TYR A 78 89.916 12.528 -0.585 1.00 0.00 C ATOM 1153 O TYR A 78 89.995 13.706 -0.933 1.00 0.00 O ATOM 1154 CB TYR A 78 90.516 10.483 -1.884 1.00 0.00 C ATOM 1155 CG TYR A 78 89.269 10.991 -2.567 1.00 0.00 C ATOM 1156 CD1 TYR A 78 89.368 11.955 -3.578 1.00 0.00 C ATOM 1157 CD2 TYR A 78 88.014 10.497 -2.191 1.00 0.00 C ATOM 1158 CE1 TYR A 78 88.212 12.424 -4.214 1.00 0.00 C ATOM 1159 CE2 TYR A 78 86.858 10.967 -2.827 1.00 0.00 C ATOM 1160 CZ TYR A 78 86.957 11.931 -3.838 1.00 0.00 C ATOM 1161 OH TYR A 78 85.818 12.394 -4.464 1.00 0.00 O ATOM 0 H TYR A 78 91.235 9.923 0.417 1.00 0.00 H new ATOM 0 HA TYR A 78 91.861 12.083 -1.360 1.00 0.00 H new ATOM 0 HB2 TYR A 78 91.282 10.255 -2.625 1.00 0.00 H new ATOM 0 HB3 TYR A 78 90.300 9.556 -1.353 1.00 0.00 H new ATOM 0 HD1 TYR A 78 90.336 12.337 -3.867 1.00 0.00 H new ATOM 0 HD2 TYR A 78 87.937 9.754 -1.411 1.00 0.00 H new ATOM 0 HE1 TYR A 78 88.289 13.166 -4.995 1.00 0.00 H new ATOM 0 HE2 TYR A 78 85.890 10.586 -2.538 1.00 0.00 H new ATOM 0 HH TYR A 78 85.902 13.357 -4.625 1.00 0.00 H new ATOM 1171 N TYR A 79 88.875 12.039 0.082 1.00 0.00 N ATOM 1172 CA TYR A 79 87.745 12.887 0.445 1.00 0.00 C ATOM 1173 C TYR A 79 88.222 14.129 1.190 1.00 0.00 C ATOM 1174 O TYR A 79 87.494 15.116 1.298 1.00 0.00 O ATOM 1175 CB TYR A 79 86.767 12.107 1.326 1.00 0.00 C ATOM 1176 CG TYR A 79 85.760 13.060 1.924 1.00 0.00 C ATOM 1177 CD1 TYR A 79 84.681 13.512 1.155 1.00 0.00 C ATOM 1178 CD2 TYR A 79 85.905 13.492 3.248 1.00 0.00 C ATOM 1179 CE1 TYR A 79 83.747 14.396 1.710 1.00 0.00 C ATOM 1180 CE2 TYR A 79 84.972 14.376 3.802 1.00 0.00 C ATOM 1181 CZ TYR A 79 83.892 14.827 3.034 1.00 0.00 C ATOM 1182 OH TYR A 79 82.972 15.698 3.580 1.00 0.00 O ATOM 0 H TYR A 79 88.790 11.067 0.380 1.00 0.00 H new ATOM 0 HA TYR A 79 87.242 13.198 -0.471 1.00 0.00 H new ATOM 0 HB2 TYR A 79 86.257 11.345 0.736 1.00 0.00 H new ATOM 0 HB3 TYR A 79 87.308 11.588 2.118 1.00 0.00 H new ATOM 0 HD1 TYR A 79 84.569 13.179 0.134 1.00 0.00 H new ATOM 0 HD2 TYR A 79 86.737 13.143 3.842 1.00 0.00 H new ATOM 0 HE1 TYR A 79 82.915 14.745 1.117 1.00 0.00 H new ATOM 0 HE2 TYR A 79 85.085 14.710 4.823 1.00 0.00 H new ATOM 0 HH TYR A 79 83.219 15.896 4.508 1.00 0.00 H new ATOM 1192 N THR A 80 89.446 14.074 1.705 1.00 0.00 N ATOM 1193 CA THR A 80 90.002 15.204 2.440 1.00 0.00 C ATOM 1194 C THR A 80 91.336 15.635 1.837 1.00 0.00 C ATOM 1195 O THR A 80 92.381 15.531 2.479 1.00 0.00 O ATOM 1196 CB THR A 80 90.204 14.823 3.909 1.00 0.00 C ATOM 1197 OG1 THR A 80 89.132 13.992 4.332 1.00 0.00 O ATOM 1198 CG2 THR A 80 90.240 16.091 4.764 1.00 0.00 C ATOM 0 H THR A 80 90.066 13.268 1.628 1.00 0.00 H new ATOM 0 HA THR A 80 89.301 16.036 2.372 1.00 0.00 H new ATOM 0 HB THR A 80 91.145 14.285 4.021 1.00 0.00 H new ATOM 0 HG1 THR A 80 89.286 13.076 4.021 1.00 0.00 H new ATOM 0 HG21 THR A 80 90.384 15.821 5.810 1.00 0.00 H new ATOM 0 HG22 THR A 80 91.063 16.727 4.437 1.00 0.00 H new ATOM 0 HG23 THR A 80 89.299 16.630 4.655 1.00 0.00 H new ATOM 1206 N SER A 81 91.292 16.123 0.601 1.00 0.00 N ATOM 1207 CA SER A 81 92.502 16.571 -0.077 1.00 0.00 C ATOM 1208 C SER A 81 92.191 17.000 -1.507 1.00 0.00 C ATOM 1209 O SER A 81 92.782 17.948 -2.023 1.00 0.00 O ATOM 1210 CB SER A 81 93.539 15.447 -0.097 1.00 0.00 C ATOM 1211 OG SER A 81 94.525 15.737 -1.079 1.00 0.00 O ATOM 0 H SER A 81 90.437 16.218 0.052 1.00 0.00 H new ATOM 0 HA SER A 81 92.902 17.426 0.468 1.00 0.00 H new ATOM 0 HB2 SER A 81 94.004 15.348 0.884 1.00 0.00 H new ATOM 0 HB3 SER A 81 93.057 14.495 -0.319 1.00 0.00 H new ATOM 0 HG SER A 81 94.276 15.315 -1.928 1.00 0.00 H new ATOM 1217 N TYR A 82 91.261 16.295 -2.142 1.00 0.00 N ATOM 1218 CA TYR A 82 90.883 16.613 -3.515 1.00 0.00 C ATOM 1219 C TYR A 82 89.379 16.850 -3.618 1.00 0.00 C ATOM 1220 O TYR A 82 88.902 17.967 -3.421 1.00 0.00 O ATOM 1221 CB TYR A 82 91.283 15.466 -4.444 1.00 0.00 C ATOM 1222 CG TYR A 82 92.782 15.461 -4.623 1.00 0.00 C ATOM 1223 CD1 TYR A 82 93.379 16.325 -5.547 1.00 0.00 C ATOM 1224 CD2 TYR A 82 93.575 14.591 -3.864 1.00 0.00 C ATOM 1225 CE1 TYR A 82 94.770 16.320 -5.714 1.00 0.00 C ATOM 1226 CE2 TYR A 82 94.964 14.587 -4.030 1.00 0.00 C ATOM 1227 CZ TYR A 82 95.562 15.450 -4.956 1.00 0.00 C ATOM 1228 OH TYR A 82 96.932 15.445 -5.119 1.00 0.00 O ATOM 0 H TYR A 82 90.759 15.507 -1.733 1.00 0.00 H new ATOM 0 HA TYR A 82 91.404 17.523 -3.813 1.00 0.00 H new ATOM 0 HB2 TYR A 82 90.953 14.515 -4.027 1.00 0.00 H new ATOM 0 HB3 TYR A 82 90.791 15.578 -5.410 1.00 0.00 H new ATOM 0 HD1 TYR A 82 92.767 16.996 -6.132 1.00 0.00 H new ATOM 0 HD2 TYR A 82 93.114 13.924 -3.151 1.00 0.00 H new ATOM 0 HE1 TYR A 82 95.231 16.987 -6.427 1.00 0.00 H new ATOM 0 HE2 TYR A 82 95.576 13.918 -3.443 1.00 0.00 H new ATOM 0 HH TYR A 82 97.331 14.783 -4.516 1.00 0.00 H new ATOM 1238 N GLY A 83 88.641 15.792 -3.934 1.00 0.00 N ATOM 1239 CA GLY A 83 87.193 15.894 -4.066 1.00 0.00 C ATOM 1240 C GLY A 83 86.759 15.619 -5.502 1.00 0.00 C ATOM 1241 O GLY A 83 86.184 14.571 -5.796 1.00 0.00 O ATOM 0 H GLY A 83 89.019 14.860 -4.103 1.00 0.00 H new ATOM 0 HA2 GLY A 83 86.711 15.184 -3.394 1.00 0.00 H new ATOM 0 HA3 GLY A 83 86.865 16.890 -3.767 1.00 0.00 H new ATOM 1245 N ALA A 84 87.044 16.563 -6.392 1.00 0.00 N ATOM 1246 CA ALA A 84 86.683 16.413 -7.797 1.00 0.00 C ATOM 1247 C ALA A 84 87.905 16.625 -8.684 1.00 0.00 C ATOM 1248 O ALA A 84 87.920 17.515 -9.535 1.00 0.00 O ATOM 1249 CB ALA A 84 85.596 17.423 -8.169 1.00 0.00 C ATOM 0 H ALA A 84 87.521 17.436 -6.167 1.00 0.00 H new ATOM 0 HA ALA A 84 86.304 15.403 -7.952 1.00 0.00 H new ATOM 0 HB1 ALA A 84 85.333 17.304 -9.220 1.00 0.00 H new ATOM 0 HB2 ALA A 84 84.714 17.252 -7.552 1.00 0.00 H new ATOM 0 HB3 ALA A 84 85.966 18.434 -8.000 1.00 0.00 H new ATOM 1255 N ARG A 85 88.930 15.806 -8.477 1.00 0.00 N ATOM 1256 CA ARG A 85 90.154 15.915 -9.262 1.00 0.00 C ATOM 1257 C ARG A 85 90.781 14.538 -9.472 1.00 0.00 C ATOM 1258 O ARG A 85 90.529 13.609 -8.704 1.00 0.00 O ATOM 1259 CB ARG A 85 91.148 16.830 -8.541 1.00 0.00 C ATOM 1260 CG ARG A 85 91.040 18.248 -9.103 1.00 0.00 C ATOM 1261 CD ARG A 85 92.056 19.153 -8.405 1.00 0.00 C ATOM 1262 NE ARG A 85 92.761 19.972 -9.384 1.00 0.00 N ATOM 1263 CZ ARG A 85 92.128 20.911 -10.079 1.00 0.00 C ATOM 1264 NH1 ARG A 85 90.852 21.111 -9.892 1.00 0.00 N ATOM 1265 NH2 ARG A 85 92.781 21.632 -10.948 1.00 0.00 N ATOM 0 H ARG A 85 88.938 15.064 -7.777 1.00 0.00 H new ATOM 0 HA ARG A 85 89.908 16.338 -10.236 1.00 0.00 H new ATOM 0 HB2 ARG A 85 90.942 16.836 -7.471 1.00 0.00 H new ATOM 0 HB3 ARG A 85 92.163 16.454 -8.669 1.00 0.00 H new ATOM 0 HG2 ARG A 85 91.223 18.239 -10.178 1.00 0.00 H new ATOM 0 HG3 ARG A 85 90.031 18.634 -8.954 1.00 0.00 H new ATOM 0 HD2 ARG A 85 91.548 19.793 -7.684 1.00 0.00 H new ATOM 0 HD3 ARG A 85 92.769 18.547 -7.846 1.00 0.00 H new ATOM 0 HE ARG A 85 93.758 19.821 -9.538 1.00 0.00 H new ATOM 0 HH11 ARG A 85 90.341 20.547 -9.213 1.00 0.00 H new ATOM 0 HH12 ARG A 85 90.365 21.832 -10.425 1.00 0.00 H new ATOM 0 HH21 ARG A 85 93.778 21.475 -11.094 1.00 0.00 H new ATOM 0 HH22 ARG A 85 92.294 22.353 -11.481 1.00 0.00 H new ATOM 1279 N PRO A 86 91.591 14.393 -10.488 1.00 0.00 N ATOM 1280 CA PRO A 86 92.267 13.103 -10.799 1.00 0.00 C ATOM 1281 C PRO A 86 92.752 12.389 -9.538 1.00 0.00 C ATOM 1282 O PRO A 86 93.714 12.817 -8.900 1.00 0.00 O ATOM 1283 CB PRO A 86 93.447 13.524 -11.674 1.00 0.00 C ATOM 1284 CG PRO A 86 93.020 14.791 -12.344 1.00 0.00 C ATOM 1285 CD PRO A 86 91.950 15.441 -11.459 1.00 0.00 C ATOM 0 HA PRO A 86 91.598 12.393 -11.285 1.00 0.00 H new ATOM 0 HB2 PRO A 86 94.343 13.681 -11.074 1.00 0.00 H new ATOM 0 HB3 PRO A 86 93.685 12.754 -12.408 1.00 0.00 H new ATOM 0 HG2 PRO A 86 93.870 15.461 -12.474 1.00 0.00 H new ATOM 0 HG3 PRO A 86 92.622 14.584 -13.338 1.00 0.00 H new ATOM 0 HD2 PRO A 86 92.334 16.331 -10.960 1.00 0.00 H new ATOM 0 HD3 PRO A 86 91.085 15.753 -12.045 1.00 0.00 H new ATOM 1293 N ILE A 87 92.077 11.300 -9.186 1.00 0.00 N ATOM 1294 CA ILE A 87 92.441 10.531 -8.002 1.00 0.00 C ATOM 1295 C ILE A 87 93.918 10.118 -8.059 1.00 0.00 C ATOM 1296 O ILE A 87 94.310 9.359 -8.944 1.00 0.00 O ATOM 1297 CB ILE A 87 91.571 9.277 -7.918 1.00 0.00 C ATOM 1298 CG1 ILE A 87 90.096 9.683 -7.873 1.00 0.00 C ATOM 1299 CG2 ILE A 87 91.923 8.496 -6.649 1.00 0.00 C ATOM 1300 CD1 ILE A 87 89.220 8.458 -8.142 1.00 0.00 C ATOM 0 H ILE A 87 91.278 10.931 -9.702 1.00 0.00 H new ATOM 0 HA ILE A 87 92.282 11.154 -7.122 1.00 0.00 H new ATOM 0 HB ILE A 87 91.750 8.651 -8.792 1.00 0.00 H new ATOM 0 HG12 ILE A 87 89.855 10.109 -6.899 1.00 0.00 H new ATOM 0 HG13 ILE A 87 89.898 10.455 -8.616 1.00 0.00 H new ATOM 0 HG21 ILE A 87 91.303 7.602 -6.588 1.00 0.00 H new ATOM 0 HG22 ILE A 87 92.974 8.208 -6.679 1.00 0.00 H new ATOM 0 HG23 ILE A 87 91.743 9.122 -5.775 1.00 0.00 H new ATOM 0 HD11 ILE A 87 88.170 8.748 -8.110 1.00 0.00 H new ATOM 0 HD12 ILE A 87 89.454 8.052 -9.126 1.00 0.00 H new ATOM 0 HD13 ILE A 87 89.411 7.700 -7.382 1.00 0.00 H new ATOM 1312 N PRO A 88 94.745 10.587 -7.148 1.00 0.00 N ATOM 1313 CA PRO A 88 96.193 10.229 -7.134 1.00 0.00 C ATOM 1314 C PRO A 88 96.417 8.734 -7.346 1.00 0.00 C ATOM 1315 O PRO A 88 95.554 7.919 -7.024 1.00 0.00 O ATOM 1316 CB PRO A 88 96.660 10.654 -5.743 1.00 0.00 C ATOM 1317 CG PRO A 88 95.737 11.754 -5.334 1.00 0.00 C ATOM 1318 CD PRO A 88 94.404 11.500 -6.041 1.00 0.00 C ATOM 0 HA PRO A 88 96.741 10.717 -7.940 1.00 0.00 H new ATOM 0 HB2 PRO A 88 96.614 9.821 -5.041 1.00 0.00 H new ATOM 0 HB3 PRO A 88 97.695 10.996 -5.763 1.00 0.00 H new ATOM 0 HG2 PRO A 88 95.605 11.765 -4.252 1.00 0.00 H new ATOM 0 HG3 PRO A 88 96.145 12.725 -5.615 1.00 0.00 H new ATOM 0 HD2 PRO A 88 93.675 11.051 -5.366 1.00 0.00 H new ATOM 0 HD3 PRO A 88 93.967 12.428 -6.411 1.00 0.00 H new ATOM 1326 N GLU A 89 97.578 8.384 -7.886 1.00 0.00 N ATOM 1327 CA GLU A 89 97.904 6.985 -8.135 1.00 0.00 C ATOM 1328 C GLU A 89 97.778 6.170 -6.853 1.00 0.00 C ATOM 1329 O GLU A 89 97.294 5.046 -6.870 1.00 0.00 O ATOM 1330 CB GLU A 89 99.330 6.870 -8.678 1.00 0.00 C ATOM 1331 CG GLU A 89 99.613 8.039 -9.625 1.00 0.00 C ATOM 1332 CD GLU A 89 100.759 7.682 -10.566 1.00 0.00 C ATOM 1333 OE1 GLU A 89 101.866 7.509 -10.081 1.00 0.00 O ATOM 1334 OE2 GLU A 89 100.514 7.588 -11.757 1.00 0.00 O ATOM 0 H GLU A 89 98.306 9.045 -8.159 1.00 0.00 H new ATOM 0 HA GLU A 89 97.203 6.593 -8.871 1.00 0.00 H new ATOM 0 HB2 GLU A 89 100.045 6.874 -7.855 1.00 0.00 H new ATOM 0 HB3 GLU A 89 99.455 5.924 -9.204 1.00 0.00 H new ATOM 0 HG2 GLU A 89 98.719 8.276 -10.201 1.00 0.00 H new ATOM 0 HG3 GLU A 89 99.867 8.930 -9.051 1.00 0.00 H new ATOM 1341 N LYS A 90 98.215 6.743 -5.742 1.00 0.00 N ATOM 1342 CA LYS A 90 98.142 6.055 -4.464 1.00 0.00 C ATOM 1343 C LYS A 90 96.708 5.640 -4.170 1.00 0.00 C ATOM 1344 O LYS A 90 96.451 4.498 -3.810 1.00 0.00 O ATOM 1345 CB LYS A 90 98.659 6.963 -3.348 1.00 0.00 C ATOM 1346 CG LYS A 90 100.134 7.279 -3.597 1.00 0.00 C ATOM 1347 CD LYS A 90 100.656 8.195 -2.490 1.00 0.00 C ATOM 1348 CE LYS A 90 102.180 8.288 -2.583 1.00 0.00 C ATOM 1349 NZ LYS A 90 102.606 9.697 -2.350 1.00 0.00 N ATOM 0 H LYS A 90 98.622 7.677 -5.700 1.00 0.00 H new ATOM 0 HA LYS A 90 98.765 5.162 -4.513 1.00 0.00 H new ATOM 0 HB2 LYS A 90 98.078 7.885 -3.315 1.00 0.00 H new ATOM 0 HB3 LYS A 90 98.538 6.475 -2.381 1.00 0.00 H new ATOM 0 HG2 LYS A 90 100.714 6.357 -3.624 1.00 0.00 H new ATOM 0 HG3 LYS A 90 100.255 7.760 -4.568 1.00 0.00 H new ATOM 0 HD2 LYS A 90 100.214 9.187 -2.585 1.00 0.00 H new ATOM 0 HD3 LYS A 90 100.363 7.808 -1.514 1.00 0.00 H new ATOM 0 HE2 LYS A 90 102.641 7.631 -1.846 1.00 0.00 H new ATOM 0 HE3 LYS A 90 102.516 7.952 -3.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 103.642 9.761 -2.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 102.176 10.313 -3.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 102.297 10.001 -1.405 1.00 0.00 H new ATOM 1363 N LEU A 91 95.776 6.568 -4.348 1.00 0.00 N ATOM 1364 CA LEU A 91 94.375 6.282 -4.119 1.00 0.00 C ATOM 1365 C LEU A 91 93.851 5.439 -5.261 1.00 0.00 C ATOM 1366 O LEU A 91 93.315 4.354 -5.057 1.00 0.00 O ATOM 1367 CB LEU A 91 93.576 7.584 -4.028 1.00 0.00 C ATOM 1368 CG LEU A 91 93.690 8.161 -2.616 1.00 0.00 C ATOM 1369 CD1 LEU A 91 92.935 7.268 -1.629 1.00 0.00 C ATOM 1370 CD2 LEU A 91 95.164 8.235 -2.212 1.00 0.00 C ATOM 0 H LEU A 91 95.970 7.523 -4.650 1.00 0.00 H new ATOM 0 HA LEU A 91 94.266 5.741 -3.179 1.00 0.00 H new ATOM 0 HB2 LEU A 91 93.950 8.303 -4.757 1.00 0.00 H new ATOM 0 HB3 LEU A 91 92.530 7.398 -4.272 1.00 0.00 H new ATOM 0 HG LEU A 91 93.257 9.161 -2.601 1.00 0.00 H new ATOM 0 HD11 LEU A 91 93.019 7.683 -0.625 1.00 0.00 H new ATOM 0 HD12 LEU A 91 91.884 7.218 -1.914 1.00 0.00 H new ATOM 0 HD13 LEU A 91 93.363 6.266 -1.644 1.00 0.00 H new ATOM 0 HD21 LEU A 91 95.245 8.646 -1.206 1.00 0.00 H new ATOM 0 HD22 LEU A 91 95.597 7.235 -2.231 1.00 0.00 H new ATOM 0 HD23 LEU A 91 95.701 8.877 -2.911 1.00 0.00 H new ATOM 1382 N LYS A 92 94.024 5.942 -6.473 1.00 0.00 N ATOM 1383 CA LYS A 92 93.575 5.211 -7.631 1.00 0.00 C ATOM 1384 C LYS A 92 94.151 3.805 -7.588 1.00 0.00 C ATOM 1385 O LYS A 92 93.417 2.830 -7.577 1.00 0.00 O ATOM 1386 CB LYS A 92 94.015 5.920 -8.916 1.00 0.00 C ATOM 1387 CG LYS A 92 92.846 5.956 -9.904 1.00 0.00 C ATOM 1388 CD LYS A 92 93.256 6.742 -11.152 1.00 0.00 C ATOM 1389 CE LYS A 92 92.005 7.125 -11.947 1.00 0.00 C ATOM 1390 NZ LYS A 92 91.463 8.415 -11.432 1.00 0.00 N ATOM 0 H LYS A 92 94.466 6.840 -6.672 1.00 0.00 H new ATOM 0 HA LYS A 92 92.486 5.161 -7.623 1.00 0.00 H new ATOM 0 HB2 LYS A 92 94.346 6.934 -8.690 1.00 0.00 H new ATOM 0 HB3 LYS A 92 94.864 5.399 -9.359 1.00 0.00 H new ATOM 0 HG2 LYS A 92 92.557 4.942 -10.179 1.00 0.00 H new ATOM 0 HG3 LYS A 92 91.977 6.420 -9.438 1.00 0.00 H new ATOM 0 HD2 LYS A 92 93.807 7.638 -10.866 1.00 0.00 H new ATOM 0 HD3 LYS A 92 93.923 6.142 -11.770 1.00 0.00 H new ATOM 0 HE2 LYS A 92 92.248 7.217 -13.006 1.00 0.00 H new ATOM 0 HE3 LYS A 92 91.252 6.342 -11.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 91.235 9.040 -12.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 90.602 8.233 -10.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 92.174 8.873 -10.827 1.00 0.00 H new ATOM 1404 N LYS A 93 95.471 3.707 -7.536 1.00 0.00 N ATOM 1405 CA LYS A 93 96.118 2.403 -7.476 1.00 0.00 C ATOM 1406 C LYS A 93 95.601 1.596 -6.300 1.00 0.00 C ATOM 1407 O LYS A 93 95.070 0.507 -6.468 1.00 0.00 O ATOM 1408 CB LYS A 93 97.637 2.556 -7.357 1.00 0.00 C ATOM 1409 CG LYS A 93 98.303 1.198 -7.587 1.00 0.00 C ATOM 1410 CD LYS A 93 99.805 1.316 -7.318 1.00 0.00 C ATOM 1411 CE LYS A 93 100.563 0.353 -8.231 1.00 0.00 C ATOM 1412 NZ LYS A 93 100.042 -1.031 -8.037 1.00 0.00 N ATOM 0 H LYS A 93 96.109 4.503 -7.534 1.00 0.00 H new ATOM 0 HA LYS A 93 95.882 1.876 -8.400 1.00 0.00 H new ATOM 0 HB2 LYS A 93 97.999 3.280 -8.087 1.00 0.00 H new ATOM 0 HB3 LYS A 93 97.899 2.940 -6.371 1.00 0.00 H new ATOM 0 HG2 LYS A 93 97.862 0.449 -6.929 1.00 0.00 H new ATOM 0 HG3 LYS A 93 98.131 0.865 -8.610 1.00 0.00 H new ATOM 0 HD2 LYS A 93 100.138 2.339 -7.494 1.00 0.00 H new ATOM 0 HD3 LYS A 93 100.017 1.087 -6.274 1.00 0.00 H new ATOM 0 HE2 LYS A 93 100.446 0.654 -9.272 1.00 0.00 H new ATOM 0 HE3 LYS A 93 101.629 0.386 -8.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 100.746 -1.718 -8.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 99.858 -1.194 -7.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 99.158 -1.148 -8.573 1.00 0.00 H new ATOM 1426 N ARG A 94 95.763 2.138 -5.112 1.00 0.00 N ATOM 1427 CA ARG A 94 95.315 1.445 -3.907 1.00 0.00 C ATOM 1428 C ARG A 94 93.842 1.071 -4.010 1.00 0.00 C ATOM 1429 O ARG A 94 93.485 -0.100 -3.904 1.00 0.00 O ATOM 1430 CB ARG A 94 95.529 2.319 -2.671 1.00 0.00 C ATOM 1431 CG ARG A 94 95.119 1.539 -1.421 1.00 0.00 C ATOM 1432 CD ARG A 94 96.323 1.397 -0.489 1.00 0.00 C ATOM 1433 NE ARG A 94 97.450 0.816 -1.210 1.00 0.00 N ATOM 1434 CZ ARG A 94 98.617 0.608 -0.609 1.00 0.00 C ATOM 1435 NH1 ARG A 94 98.769 0.923 0.648 1.00 0.00 N ATOM 1436 NH2 ARG A 94 99.610 0.088 -1.276 1.00 0.00 N ATOM 0 H ARG A 94 96.196 3.047 -4.947 1.00 0.00 H new ATOM 0 HA ARG A 94 95.907 0.535 -3.811 1.00 0.00 H new ATOM 0 HB2 ARG A 94 96.575 2.618 -2.600 1.00 0.00 H new ATOM 0 HB3 ARG A 94 94.941 3.233 -2.752 1.00 0.00 H new ATOM 0 HG2 ARG A 94 94.308 2.055 -0.908 1.00 0.00 H new ATOM 0 HG3 ARG A 94 94.744 0.554 -1.701 1.00 0.00 H new ATOM 0 HD2 ARG A 94 96.601 2.373 -0.090 1.00 0.00 H new ATOM 0 HD3 ARG A 94 96.062 0.767 0.362 1.00 0.00 H new ATOM 0 HE ARG A 94 97.341 0.565 -2.193 1.00 0.00 H new ATOM 0 HH11 ARG A 94 97.992 1.329 1.170 1.00 0.00 H new ATOM 0 HH12 ARG A 94 99.665 0.763 1.109 1.00 0.00 H new ATOM 0 HH21 ARG A 94 99.491 -0.159 -2.258 1.00 0.00 H new ATOM 0 HH22 ARG A 94 100.506 -0.072 -0.815 1.00 0.00 H new ATOM 1450 N LEU A 95 92.990 2.067 -4.206 1.00 0.00 N ATOM 1451 CA LEU A 95 91.559 1.818 -4.305 1.00 0.00 C ATOM 1452 C LEU A 95 91.233 1.010 -5.549 1.00 0.00 C ATOM 1453 O LEU A 95 90.548 0.006 -5.464 1.00 0.00 O ATOM 1454 CB LEU A 95 90.784 3.134 -4.329 1.00 0.00 C ATOM 1455 CG LEU A 95 91.132 3.951 -3.087 1.00 0.00 C ATOM 1456 CD1 LEU A 95 90.334 5.255 -3.091 1.00 0.00 C ATOM 1457 CD2 LEU A 95 90.789 3.151 -1.829 1.00 0.00 C ATOM 0 H LEU A 95 93.261 3.046 -4.299 1.00 0.00 H new ATOM 0 HA LEU A 95 91.260 1.245 -3.427 1.00 0.00 H new ATOM 0 HB2 LEU A 95 91.030 3.697 -5.229 1.00 0.00 H new ATOM 0 HB3 LEU A 95 89.712 2.937 -4.360 1.00 0.00 H new ATOM 0 HG LEU A 95 92.199 4.176 -3.094 1.00 0.00 H new ATOM 0 HD11 LEU A 95 90.584 5.837 -2.204 1.00 0.00 H new ATOM 0 HD12 LEU A 95 90.581 5.830 -3.983 1.00 0.00 H new ATOM 0 HD13 LEU A 95 89.268 5.029 -3.089 1.00 0.00 H new ATOM 0 HD21 LEU A 95 91.039 3.738 -0.945 1.00 0.00 H new ATOM 0 HD22 LEU A 95 89.723 2.922 -1.823 1.00 0.00 H new ATOM 0 HD23 LEU A 95 91.360 2.222 -1.821 1.00 0.00 H new ATOM 1469 N GLN A 96 91.717 1.452 -6.702 1.00 0.00 N ATOM 1470 CA GLN A 96 91.440 0.732 -7.949 1.00 0.00 C ATOM 1471 C GLN A 96 92.020 -0.675 -7.902 1.00 0.00 C ATOM 1472 O GLN A 96 91.388 -1.621 -8.353 1.00 0.00 O ATOM 1473 CB GLN A 96 92.000 1.473 -9.169 1.00 0.00 C ATOM 1474 CG GLN A 96 91.373 0.905 -10.443 1.00 0.00 C ATOM 1475 CD GLN A 96 92.467 0.541 -11.441 1.00 0.00 C ATOM 1476 OE1 GLN A 96 93.147 -0.473 -11.276 1.00 0.00 O ATOM 1477 NE2 GLN A 96 92.681 1.311 -12.472 1.00 0.00 N ATOM 0 H GLN A 96 92.292 2.288 -6.806 1.00 0.00 H new ATOM 0 HA GLN A 96 90.356 0.674 -8.048 1.00 0.00 H new ATOM 0 HB2 GLN A 96 91.786 2.539 -9.090 1.00 0.00 H new ATOM 0 HB3 GLN A 96 93.084 1.367 -9.206 1.00 0.00 H new ATOM 0 HG2 GLN A 96 90.778 0.023 -10.204 1.00 0.00 H new ATOM 0 HG3 GLN A 96 90.696 1.637 -10.883 1.00 0.00 H new ATOM 0 HE21 GLN A 96 92.117 2.150 -12.607 1.00 0.00 H new ATOM 0 HE22 GLN A 96 93.412 1.074 -13.143 1.00 0.00 H new ATOM 1486 N LEU A 97 93.215 -0.808 -7.344 1.00 0.00 N ATOM 1487 CA LEU A 97 93.848 -2.122 -7.236 1.00 0.00 C ATOM 1488 C LEU A 97 93.154 -2.921 -6.145 1.00 0.00 C ATOM 1489 O LEU A 97 92.831 -4.093 -6.330 1.00 0.00 O ATOM 1490 CB LEU A 97 95.341 -1.993 -6.915 1.00 0.00 C ATOM 1491 CG LEU A 97 96.012 -3.358 -7.065 1.00 0.00 C ATOM 1492 CD1 LEU A 97 96.519 -3.524 -8.499 1.00 0.00 C ATOM 1493 CD2 LEU A 97 97.190 -3.455 -6.094 1.00 0.00 C ATOM 0 H LEU A 97 93.762 -0.036 -6.963 1.00 0.00 H new ATOM 0 HA LEU A 97 93.753 -2.635 -8.193 1.00 0.00 H new ATOM 0 HB2 LEU A 97 95.807 -1.271 -7.585 1.00 0.00 H new ATOM 0 HB3 LEU A 97 95.475 -1.619 -5.900 1.00 0.00 H new ATOM 0 HG LEU A 97 95.290 -4.144 -6.842 1.00 0.00 H new ATOM 0 HD11 LEU A 97 96.997 -4.498 -8.605 1.00 0.00 H new ATOM 0 HD12 LEU A 97 95.680 -3.454 -9.192 1.00 0.00 H new ATOM 0 HD13 LEU A 97 97.241 -2.739 -8.723 1.00 0.00 H new ATOM 0 HD21 LEU A 97 97.670 -4.428 -6.200 1.00 0.00 H new ATOM 0 HD22 LEU A 97 97.911 -2.669 -6.317 1.00 0.00 H new ATOM 0 HD23 LEU A 97 96.830 -3.337 -5.072 1.00 0.00 H new ATOM 1505 N GLU A 98 92.899 -2.263 -5.018 1.00 0.00 N ATOM 1506 CA GLU A 98 92.208 -2.909 -3.913 1.00 0.00 C ATOM 1507 C GLU A 98 90.771 -3.181 -4.327 1.00 0.00 C ATOM 1508 O GLU A 98 90.191 -4.202 -3.969 1.00 0.00 O ATOM 1509 CB GLU A 98 92.229 -2.019 -2.667 1.00 0.00 C ATOM 1510 CG GLU A 98 91.546 -2.750 -1.508 1.00 0.00 C ATOM 1511 CD GLU A 98 90.184 -2.124 -1.226 1.00 0.00 C ATOM 1512 OE1 GLU A 98 90.154 -1.078 -0.600 1.00 0.00 O ATOM 1513 OE2 GLU A 98 89.193 -2.703 -1.637 1.00 0.00 O ATOM 0 H GLU A 98 93.159 -1.291 -4.849 1.00 0.00 H new ATOM 0 HA GLU A 98 92.713 -3.844 -3.672 1.00 0.00 H new ATOM 0 HB2 GLU A 98 93.257 -1.772 -2.400 1.00 0.00 H new ATOM 0 HB3 GLU A 98 91.717 -1.078 -2.870 1.00 0.00 H new ATOM 0 HG2 GLU A 98 91.427 -3.805 -1.753 1.00 0.00 H new ATOM 0 HG3 GLU A 98 92.171 -2.698 -0.616 1.00 0.00 H new ATOM 1520 N PHE A 99 90.212 -2.257 -5.106 1.00 0.00 N ATOM 1521 CA PHE A 99 88.847 -2.407 -5.593 1.00 0.00 C ATOM 1522 C PHE A 99 88.847 -3.376 -6.752 1.00 0.00 C ATOM 1523 O PHE A 99 87.975 -4.225 -6.852 1.00 0.00 O ATOM 1524 CB PHE A 99 88.262 -1.084 -6.077 1.00 0.00 C ATOM 1525 CG PHE A 99 88.068 -0.089 -4.934 1.00 0.00 C ATOM 1526 CD1 PHE A 99 88.551 -0.346 -3.632 1.00 0.00 C ATOM 1527 CD2 PHE A 99 87.391 1.112 -5.191 1.00 0.00 C ATOM 1528 CE1 PHE A 99 88.352 0.593 -2.614 1.00 0.00 C ATOM 1529 CE2 PHE A 99 87.198 2.047 -4.165 1.00 0.00 C ATOM 1530 CZ PHE A 99 87.678 1.786 -2.880 1.00 0.00 C ATOM 0 H PHE A 99 90.681 -1.404 -5.410 1.00 0.00 H new ATOM 0 HA PHE A 99 88.237 -2.770 -4.766 1.00 0.00 H new ATOM 0 HB2 PHE A 99 88.922 -0.649 -6.827 1.00 0.00 H new ATOM 0 HB3 PHE A 99 87.304 -1.268 -6.563 1.00 0.00 H new ATOM 0 HD1 PHE A 99 89.074 -1.267 -3.422 1.00 0.00 H new ATOM 0 HD2 PHE A 99 87.017 1.317 -6.183 1.00 0.00 H new ATOM 0 HE1 PHE A 99 88.721 0.394 -1.619 1.00 0.00 H new ATOM 0 HE2 PHE A 99 86.677 2.971 -4.369 1.00 0.00 H new ATOM 0 HZ PHE A 99 87.528 2.508 -2.091 1.00 0.00 H new ATOM 1540 N THR A 100 89.848 -3.260 -7.617 1.00 0.00 N ATOM 1541 CA THR A 100 89.946 -4.175 -8.739 1.00 0.00 C ATOM 1542 C THR A 100 90.237 -5.548 -8.176 1.00 0.00 C ATOM 1543 O THR A 100 89.734 -6.553 -8.662 1.00 0.00 O ATOM 1544 CB THR A 100 91.053 -3.764 -9.708 1.00 0.00 C ATOM 1545 OG1 THR A 100 90.707 -2.535 -10.330 1.00 0.00 O ATOM 1546 CG2 THR A 100 91.224 -4.846 -10.774 1.00 0.00 C ATOM 0 H THR A 100 90.586 -2.558 -7.563 1.00 0.00 H new ATOM 0 HA THR A 100 89.012 -4.166 -9.301 1.00 0.00 H new ATOM 0 HB THR A 100 91.988 -3.642 -9.161 1.00 0.00 H new ATOM 0 HG1 THR A 100 90.523 -1.861 -9.643 1.00 0.00 H new ATOM 0 HG21 THR A 100 92.014 -4.553 -11.466 1.00 0.00 H new ATOM 0 HG22 THR A 100 91.491 -5.789 -10.296 1.00 0.00 H new ATOM 0 HG23 THR A 100 90.289 -4.969 -11.321 1.00 0.00 H new ATOM 1554 N GLN A 101 91.030 -5.572 -7.108 1.00 0.00 N ATOM 1555 CA GLN A 101 91.341 -6.829 -6.448 1.00 0.00 C ATOM 1556 C GLN A 101 90.091 -7.312 -5.730 1.00 0.00 C ATOM 1557 O GLN A 101 89.648 -8.439 -5.920 1.00 0.00 O ATOM 1558 CB GLN A 101 92.476 -6.650 -5.437 1.00 0.00 C ATOM 1559 CG GLN A 101 93.811 -6.531 -6.174 1.00 0.00 C ATOM 1560 CD GLN A 101 94.468 -7.902 -6.293 1.00 0.00 C ATOM 1561 OE1 GLN A 101 95.679 -8.028 -6.111 1.00 0.00 O ATOM 1562 NE2 GLN A 101 93.740 -8.943 -6.590 1.00 0.00 N ATOM 0 H GLN A 101 91.461 -4.748 -6.689 1.00 0.00 H new ATOM 0 HA GLN A 101 91.664 -7.557 -7.192 1.00 0.00 H new ATOM 0 HB2 GLN A 101 92.302 -5.758 -4.835 1.00 0.00 H new ATOM 0 HB3 GLN A 101 92.502 -7.497 -4.752 1.00 0.00 H new ATOM 0 HG2 GLN A 101 93.651 -6.108 -7.166 1.00 0.00 H new ATOM 0 HG3 GLN A 101 94.471 -5.848 -5.639 1.00 0.00 H new ATOM 0 HE21 GLN A 101 92.737 -8.838 -6.741 1.00 0.00 H new ATOM 0 HE22 GLN A 101 94.174 -9.862 -6.672 1.00 0.00 H new ATOM 1571 N ALA A 102 89.511 -6.430 -4.922 1.00 0.00 N ATOM 1572 CA ALA A 102 88.291 -6.767 -4.199 1.00 0.00 C ATOM 1573 C ALA A 102 87.170 -7.057 -5.181 1.00 0.00 C ATOM 1574 O ALA A 102 86.340 -7.928 -4.949 1.00 0.00 O ATOM 1575 CB ALA A 102 87.878 -5.622 -3.277 1.00 0.00 C ATOM 0 H ALA A 102 89.862 -5.487 -4.753 1.00 0.00 H new ATOM 0 HA ALA A 102 88.484 -7.653 -3.594 1.00 0.00 H new ATOM 0 HB1 ALA A 102 86.965 -5.893 -2.746 1.00 0.00 H new ATOM 0 HB2 ALA A 102 88.673 -5.430 -2.557 1.00 0.00 H new ATOM 0 HB3 ALA A 102 87.700 -4.724 -3.869 1.00 0.00 H new ATOM 1581 N GLU A 103 87.158 -6.322 -6.281 1.00 0.00 N ATOM 1582 CA GLU A 103 86.134 -6.511 -7.301 1.00 0.00 C ATOM 1583 C GLU A 103 86.445 -7.733 -8.145 1.00 0.00 C ATOM 1584 O GLU A 103 85.605 -8.616 -8.318 1.00 0.00 O ATOM 1585 CB GLU A 103 86.063 -5.283 -8.209 1.00 0.00 C ATOM 1586 CG GLU A 103 84.984 -5.492 -9.272 1.00 0.00 C ATOM 1587 CD GLU A 103 84.095 -4.257 -9.359 1.00 0.00 C ATOM 1588 OE1 GLU A 103 84.636 -3.165 -9.408 1.00 0.00 O ATOM 1589 OE2 GLU A 103 82.885 -4.420 -9.373 1.00 0.00 O ATOM 0 H GLU A 103 87.840 -5.593 -6.492 1.00 0.00 H new ATOM 0 HA GLU A 103 85.176 -6.653 -6.800 1.00 0.00 H new ATOM 0 HB2 GLU A 103 85.839 -4.394 -7.619 1.00 0.00 H new ATOM 0 HB3 GLU A 103 87.029 -5.114 -8.685 1.00 0.00 H new ATOM 0 HG2 GLU A 103 85.447 -5.686 -10.239 1.00 0.00 H new ATOM 0 HG3 GLU A 103 84.383 -6.367 -9.025 1.00 0.00 H new ATOM 1596 N ARG A 104 87.655 -7.765 -8.678 1.00 0.00 N ATOM 1597 CA ARG A 104 88.070 -8.884 -9.524 1.00 0.00 C ATOM 1598 C ARG A 104 88.214 -10.174 -8.718 1.00 0.00 C ATOM 1599 O ARG A 104 87.841 -11.249 -9.189 1.00 0.00 O ATOM 1600 CB ARG A 104 89.398 -8.566 -10.218 1.00 0.00 C ATOM 1601 CG ARG A 104 89.658 -9.592 -11.324 1.00 0.00 C ATOM 1602 CD ARG A 104 90.762 -9.075 -12.248 1.00 0.00 C ATOM 1603 NE ARG A 104 91.330 -10.173 -13.020 1.00 0.00 N ATOM 1604 CZ ARG A 104 92.324 -10.912 -12.537 1.00 0.00 C ATOM 1605 NH1 ARG A 104 92.809 -10.658 -11.353 1.00 0.00 N ATOM 1606 NH2 ARG A 104 92.814 -11.890 -13.247 1.00 0.00 N ATOM 0 H ARG A 104 88.363 -7.042 -8.546 1.00 0.00 H new ATOM 0 HA ARG A 104 87.292 -9.031 -10.273 1.00 0.00 H new ATOM 0 HB2 ARG A 104 89.368 -7.561 -10.640 1.00 0.00 H new ATOM 0 HB3 ARG A 104 90.212 -8.583 -9.493 1.00 0.00 H new ATOM 0 HG2 ARG A 104 89.951 -10.547 -10.888 1.00 0.00 H new ATOM 0 HG3 ARG A 104 88.745 -9.769 -11.893 1.00 0.00 H new ATOM 0 HD2 ARG A 104 90.358 -8.319 -12.921 1.00 0.00 H new ATOM 0 HD3 ARG A 104 91.543 -8.593 -11.659 1.00 0.00 H new ATOM 0 HE ARG A 104 90.958 -10.378 -13.947 1.00 0.00 H new ATOM 0 HH11 ARG A 104 92.426 -9.893 -10.798 1.00 0.00 H new ATOM 0 HH12 ARG A 104 93.572 -11.225 -10.982 1.00 0.00 H new ATOM 0 HH21 ARG A 104 92.435 -12.088 -14.173 1.00 0.00 H new ATOM 0 HH22 ARG A 104 93.577 -12.457 -12.876 1.00 0.00 H new ATOM 1620 N SER A 105 88.763 -10.072 -7.512 1.00 0.00 N ATOM 1621 CA SER A 105 88.954 -11.258 -6.677 1.00 0.00 C ATOM 1622 C SER A 105 87.628 -11.759 -6.111 1.00 0.00 C ATOM 1623 O SER A 105 87.279 -12.927 -6.284 1.00 0.00 O ATOM 1624 CB SER A 105 89.916 -10.959 -5.526 1.00 0.00 C ATOM 1625 OG SER A 105 89.239 -10.201 -4.530 1.00 0.00 O ATOM 0 H SER A 105 89.080 -9.197 -7.094 1.00 0.00 H new ATOM 0 HA SER A 105 89.379 -12.036 -7.311 1.00 0.00 H new ATOM 0 HB2 SER A 105 90.290 -11.889 -5.099 1.00 0.00 H new ATOM 0 HB3 SER A 105 90.781 -10.407 -5.894 1.00 0.00 H new ATOM 0 HG SER A 105 89.164 -9.269 -4.823 1.00 0.00 H new ATOM 1631 N ILE A 106 86.893 -10.887 -5.425 1.00 0.00 N ATOM 1632 CA ILE A 106 85.616 -11.300 -4.840 1.00 0.00 C ATOM 1633 C ILE A 106 84.649 -11.753 -5.930 1.00 0.00 C ATOM 1634 O ILE A 106 83.787 -12.600 -5.694 1.00 0.00 O ATOM 1635 CB ILE A 106 84.978 -10.160 -4.039 1.00 0.00 C ATOM 1636 CG1 ILE A 106 85.994 -9.590 -3.043 1.00 0.00 C ATOM 1637 CG2 ILE A 106 83.768 -10.695 -3.266 1.00 0.00 C ATOM 1638 CD1 ILE A 106 85.962 -10.413 -1.752 1.00 0.00 C ATOM 0 H ILE A 106 87.149 -9.913 -5.262 1.00 0.00 H new ATOM 0 HA ILE A 106 85.819 -12.132 -4.166 1.00 0.00 H new ATOM 0 HB ILE A 106 84.663 -9.375 -4.726 1.00 0.00 H new ATOM 0 HG12 ILE A 106 86.994 -9.611 -3.476 1.00 0.00 H new ATOM 0 HG13 ILE A 106 85.762 -8.547 -2.828 1.00 0.00 H new ATOM 0 HG21 ILE A 106 83.313 -9.885 -2.696 1.00 0.00 H new ATOM 0 HG22 ILE A 106 83.038 -11.099 -3.967 1.00 0.00 H new ATOM 0 HG23 ILE A 106 84.091 -11.482 -2.584 1.00 0.00 H new ATOM 0 HD11 ILE A 106 86.685 -10.007 -1.044 1.00 0.00 H new ATOM 0 HD12 ILE A 106 84.964 -10.369 -1.317 1.00 0.00 H new ATOM 0 HD13 ILE A 106 86.215 -11.450 -1.975 1.00 0.00 H new ATOM 1650 N GLU A 107 84.799 -11.188 -7.123 1.00 0.00 N ATOM 1651 CA GLU A 107 83.932 -11.546 -8.239 1.00 0.00 C ATOM 1652 C GLU A 107 84.173 -12.992 -8.661 1.00 0.00 C ATOM 1653 O GLU A 107 83.445 -13.535 -9.492 1.00 0.00 O ATOM 1654 CB GLU A 107 84.193 -10.613 -9.424 1.00 0.00 C ATOM 1655 CG GLU A 107 83.560 -11.200 -10.687 1.00 0.00 C ATOM 1656 CD GLU A 107 83.385 -10.107 -11.736 1.00 0.00 C ATOM 1657 OE1 GLU A 107 84.300 -9.317 -11.899 1.00 0.00 O ATOM 1658 OE2 GLU A 107 82.337 -10.076 -12.361 1.00 0.00 O ATOM 0 H GLU A 107 85.506 -10.486 -7.341 1.00 0.00 H new ATOM 0 HA GLU A 107 82.895 -11.442 -7.919 1.00 0.00 H new ATOM 0 HB2 GLU A 107 83.777 -9.626 -9.221 1.00 0.00 H new ATOM 0 HB3 GLU A 107 85.266 -10.483 -9.569 1.00 0.00 H new ATOM 0 HG2 GLU A 107 84.189 -11.998 -11.082 1.00 0.00 H new ATOM 0 HG3 GLU A 107 82.594 -11.644 -10.447 1.00 0.00 H new ATOM 1665 N ARG A 108 85.197 -13.610 -8.083 1.00 0.00 N ATOM 1666 CA ARG A 108 85.523 -14.993 -8.407 1.00 0.00 C ATOM 1667 C ARG A 108 85.571 -15.192 -9.918 1.00 0.00 C ATOM 1668 O ARG A 108 84.939 -16.101 -10.455 1.00 0.00 O ATOM 1669 CB ARG A 108 84.477 -15.932 -7.800 1.00 0.00 C ATOM 1670 CG ARG A 108 83.879 -15.286 -6.549 1.00 0.00 C ATOM 1671 CD ARG A 108 83.232 -16.364 -5.678 1.00 0.00 C ATOM 1672 NE ARG A 108 82.074 -16.935 -6.358 1.00 0.00 N ATOM 1673 CZ ARG A 108 80.972 -16.220 -6.557 1.00 0.00 C ATOM 1674 NH1 ARG A 108 80.912 -14.983 -6.143 1.00 0.00 N ATOM 1675 NH2 ARG A 108 79.949 -16.754 -7.167 1.00 0.00 N ATOM 0 H ARG A 108 85.812 -13.179 -7.393 1.00 0.00 H new ATOM 0 HA ARG A 108 86.504 -15.223 -7.990 1.00 0.00 H new ATOM 0 HB2 ARG A 108 83.692 -16.138 -8.527 1.00 0.00 H new ATOM 0 HB3 ARG A 108 84.935 -16.888 -7.546 1.00 0.00 H new ATOM 0 HG2 ARG A 108 84.656 -14.768 -5.987 1.00 0.00 H new ATOM 0 HG3 ARG A 108 83.138 -14.538 -6.832 1.00 0.00 H new ATOM 0 HD2 ARG A 108 83.957 -17.148 -5.459 1.00 0.00 H new ATOM 0 HD3 ARG A 108 82.927 -15.936 -4.723 1.00 0.00 H new ATOM 0 HE ARG A 108 82.111 -17.900 -6.686 1.00 0.00 H new ATOM 0 HH11 ARG A 108 81.711 -14.565 -5.667 1.00 0.00 H new ATOM 0 HH12 ARG A 108 80.066 -14.434 -6.296 1.00 0.00 H new ATOM 0 HH21 ARG A 108 79.996 -17.720 -7.491 1.00 0.00 H new ATOM 0 HH22 ARG A 108 79.103 -16.205 -7.320 1.00 0.00 H new ATOM 1689 N GLY A 109 86.326 -14.336 -10.599 1.00 0.00 N ATOM 1690 CA GLY A 109 86.449 -14.426 -12.049 1.00 0.00 C ATOM 1691 C GLY A 109 87.856 -14.848 -12.454 1.00 0.00 C ATOM 1692 O GLY A 109 88.163 -14.960 -13.641 1.00 0.00 O ATOM 0 H GLY A 109 86.858 -13.577 -10.173 1.00 0.00 H new ATOM 0 HA2 GLY A 109 85.725 -15.144 -12.435 1.00 0.00 H new ATOM 0 HA3 GLY A 109 86.212 -13.462 -12.498 1.00 0.00 H new ATOM 1696 N VAL A 110 88.708 -15.080 -11.461 1.00 0.00 N ATOM 1697 CA VAL A 110 90.083 -15.490 -11.728 1.00 0.00 C ATOM 1698 C VAL A 110 90.136 -16.450 -12.913 1.00 0.00 C ATOM 1699 O VAL A 110 91.125 -16.424 -13.626 1.00 0.00 O ATOM 1700 CB VAL A 110 90.673 -16.169 -10.490 1.00 0.00 C ATOM 1701 CG1 VAL A 110 90.924 -15.120 -9.405 1.00 0.00 C ATOM 1702 CG2 VAL A 110 89.690 -17.219 -9.968 1.00 0.00 C ATOM 1703 OXT VAL A 110 89.186 -17.194 -13.090 1.00 0.00 O ATOM 0 H VAL A 110 88.474 -14.992 -10.472 1.00 0.00 H new ATOM 0 HA VAL A 110 90.668 -14.602 -11.969 1.00 0.00 H new ATOM 0 HB VAL A 110 91.614 -16.652 -10.753 1.00 0.00 H new ATOM 0 HG11 VAL A 110 91.344 -15.603 -8.523 1.00 0.00 H new ATOM 0 HG12 VAL A 110 91.624 -14.372 -9.777 1.00 0.00 H new ATOM 0 HG13 VAL A 110 89.983 -14.637 -9.141 1.00 0.00 H new ATOM 0 HG21 VAL A 110 90.109 -17.703 -9.086 1.00 0.00 H new ATOM 0 HG22 VAL A 110 88.749 -16.737 -9.704 1.00 0.00 H new ATOM 0 HG23 VAL A 110 89.511 -17.966 -10.741 1.00 0.00 H new TER 1713 VAL A 110