USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 530 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 24 THR OG1 : rot -130:sc= 0 USER MOD Set 1.2: A 65 ASN : amide:sc= -1.95 K(o=-1.9,f=-9.7!) USER MOD Set 2.1: A 2 THR OG1 : rot 89:sc= 1.17 USER MOD Set 2.2: A 12 SER OG : rot 180:sc= -0.715 USER MOD Single : A 1 ILE N :NH3+ 144:sc= -0.0597 (180deg=-0.419) USER MOD Single : A 4 TYR OH : rot 102:sc= 0.573 USER MOD Single : A 5 LYS NZ :NH3+ -131:sc= 0 (180deg=-0.671) USER MOD Single : A 6 THR OG1 : rot 160:sc= -0.584 USER MOD Single : A 11 THR OG1 : rot -72:sc= 0.203 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 GLN :FLIP amide:sc= -1.16 F(o=-3.9!,f=-1.2) USER MOD Single : A 20 ASN : amide:sc= -0.459 K(o=-0.46,f=-3.7!) USER MOD Single : A 23 TYR OH : rot 44:sc= 0.179 USER MOD Single : A 25 LYS NZ :NH3+ -155:sc= -2.5 (180deg=-4.24!) USER MOD Single : A 26 THR OG1 : rot 145:sc= -2.63! USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 163:sc= -0.0414 (180deg=-0.371) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.00143 USER MOD Single : A 52 SER OG : rot 180:sc= 0.171 USER MOD Single : A 53 TYR OH : rot -97:sc= 0.88 USER MOD Single : A 54 GLN :FLIP amide:sc= -1.35 F(o=-2.8!,f=-1.4) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.00176 USER MOD Single : A 67 HIS : no HE2:sc= -1.19 X(o=-1.2,f=-1.6) USER MOD Single : A 69 LYS NZ :NH3+ 136:sc= -0.0683 (180deg=-0.399) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 15.922 4.760 -0.350 1.00 0.29 N ATOM 2 CA ILE A 1 14.582 4.565 -0.958 1.00 0.23 C ATOM 3 C ILE A 1 13.484 5.101 -0.047 1.00 0.20 C ATOM 4 O ILE A 1 13.643 5.148 1.171 1.00 0.27 O ATOM 5 CB ILE A 1 14.313 3.076 -1.250 1.00 0.22 C ATOM 6 CG1 ILE A 1 12.924 2.885 -1.862 1.00 0.20 C ATOM 7 CG2 ILE A 1 14.450 2.255 0.021 1.00 0.28 C ATOM 8 CD1 ILE A 1 12.654 1.474 -2.335 1.00 0.19 C ATOM 0 H1 ILE A 1 16.532 3.951 -0.586 1.00 0.29 H new ATOM 0 H2 ILE A 1 16.347 5.634 -0.720 1.00 0.29 H new ATOM 0 H3 ILE A 1 15.827 4.832 0.683 1.00 0.29 H new ATOM 0 HA ILE A 1 14.573 5.119 -1.896 1.00 0.23 H new ATOM 0 HB ILE A 1 15.054 2.729 -1.971 1.00 0.22 H new ATOM 0 HG12 ILE A 1 12.171 3.161 -1.124 1.00 0.20 H new ATOM 0 HG13 ILE A 1 12.811 3.568 -2.704 1.00 0.20 H new ATOM 0 HG21 ILE A 1 14.257 1.205 -0.201 1.00 0.28 H new ATOM 0 HG22 ILE A 1 15.460 2.362 0.416 1.00 0.28 H new ATOM 0 HG23 ILE A 1 13.731 2.607 0.761 1.00 0.28 H new ATOM 0 HD11 ILE A 1 11.650 1.417 -2.756 1.00 0.19 H new ATOM 0 HD12 ILE A 1 13.383 1.200 -3.097 1.00 0.19 H new ATOM 0 HD13 ILE A 1 12.733 0.787 -1.493 1.00 0.19 H new ATOM 22 N THR A 2 12.372 5.502 -0.650 1.00 0.18 N ATOM 23 CA THR A 2 11.244 6.034 0.088 1.00 0.17 C ATOM 24 C THR A 2 9.932 5.432 -0.404 1.00 0.20 C ATOM 25 O THR A 2 9.841 4.966 -1.541 1.00 0.27 O ATOM 26 CB THR A 2 11.173 7.560 -0.051 1.00 0.19 C ATOM 27 OG1 THR A 2 11.504 7.948 -1.391 1.00 0.26 O ATOM 28 CG2 THR A 2 12.113 8.239 0.930 1.00 0.19 C ATOM 0 H THR A 2 12.231 5.466 -1.660 1.00 0.18 H new ATOM 0 HA THR A 2 11.390 5.770 1.135 1.00 0.17 H new ATOM 0 HB THR A 2 10.154 7.875 0.174 1.00 0.19 H new ATOM 0 HG1 THR A 2 10.692 7.954 -1.940 1.00 0.26 H new ATOM 0 HG21 THR A 2 12.044 9.320 0.811 1.00 0.19 H new ATOM 0 HG22 THR A 2 11.835 7.967 1.948 1.00 0.19 H new ATOM 0 HG23 THR A 2 13.136 7.917 0.736 1.00 0.19 H new ATOM 36 N CYS A 3 8.920 5.447 0.457 1.00 0.16 N ATOM 37 CA CYS A 3 7.606 4.907 0.109 1.00 0.19 C ATOM 38 C CYS A 3 6.507 5.725 0.780 1.00 0.19 C ATOM 39 O CYS A 3 6.766 6.447 1.743 1.00 0.27 O ATOM 40 CB CYS A 3 7.488 3.442 0.544 1.00 0.24 C ATOM 41 SG CYS A 3 9.047 2.500 0.457 1.00 0.41 S ATOM 0 H CYS A 3 8.982 5.827 1.402 1.00 0.16 H new ATOM 0 HA CYS A 3 7.492 4.964 -0.974 1.00 0.19 H new ATOM 0 HB2 CYS A 3 7.115 3.409 1.568 1.00 0.24 H new ATOM 0 HB3 CYS A 3 6.745 2.949 -0.082 1.00 0.24 H new ATOM 46 N TYR A 4 5.280 5.615 0.275 1.00 0.16 N ATOM 47 CA TYR A 4 4.162 6.351 0.848 1.00 0.18 C ATOM 48 C TYR A 4 3.454 5.528 1.919 1.00 0.23 C ATOM 49 O TYR A 4 3.091 4.374 1.692 1.00 0.26 O ATOM 50 CB TYR A 4 3.186 6.758 -0.249 1.00 0.20 C ATOM 51 CG TYR A 4 3.736 7.813 -1.185 1.00 0.20 C ATOM 52 CD1 TYR A 4 4.284 8.991 -0.692 1.00 0.31 C ATOM 53 CD2 TYR A 4 3.713 7.630 -2.564 1.00 0.33 C ATOM 54 CE1 TYR A 4 4.793 9.953 -1.545 1.00 0.36 C ATOM 55 CE2 TYR A 4 4.221 8.586 -3.421 1.00 0.35 C ATOM 56 CZ TYR A 4 4.736 9.761 -2.903 1.00 0.28 C ATOM 57 OH TYR A 4 5.265 10.701 -3.760 1.00 0.35 O ATOM 0 H TYR A 4 5.039 5.028 -0.523 1.00 0.16 H new ATOM 0 HA TYR A 4 4.552 7.251 1.324 1.00 0.18 H new ATOM 0 HB2 TYR A 4 2.914 5.876 -0.828 1.00 0.20 H new ATOM 0 HB3 TYR A 4 2.271 7.132 0.210 1.00 0.20 H new ATOM 0 HD1 TYR A 4 4.313 9.158 0.375 1.00 0.31 H new ATOM 0 HD2 TYR A 4 3.290 6.724 -2.972 1.00 0.33 H new ATOM 0 HE1 TYR A 4 5.234 10.853 -1.144 1.00 0.36 H new ATOM 0 HE2 TYR A 4 4.216 8.418 -4.488 1.00 0.35 H new ATOM 0 HH TYR A 4 6.136 10.392 -4.087 1.00 0.35 H new ATOM 67 N LYS A 5 3.265 6.134 3.089 1.00 0.32 N ATOM 68 CA LYS A 5 2.611 5.461 4.208 1.00 0.40 C ATOM 69 C LYS A 5 1.093 5.612 4.141 1.00 0.49 C ATOM 70 O LYS A 5 0.571 6.724 4.146 1.00 0.86 O ATOM 71 CB LYS A 5 3.137 6.015 5.534 1.00 0.58 C ATOM 72 CG LYS A 5 4.657 6.031 5.627 1.00 0.92 C ATOM 73 CD LYS A 5 5.245 4.631 5.508 1.00 1.68 C ATOM 74 CE LYS A 5 4.914 3.777 6.722 1.00 2.11 C ATOM 75 NZ LYS A 5 5.396 2.378 6.563 1.00 2.69 N ATOM 0 H LYS A 5 3.556 7.091 3.287 1.00 0.32 H new ATOM 0 HA LYS A 5 2.845 4.398 4.143 1.00 0.40 H new ATOM 0 HB2 LYS A 5 2.762 7.030 5.669 1.00 0.58 H new ATOM 0 HB3 LYS A 5 2.737 5.416 6.353 1.00 0.58 H new ATOM 0 HG2 LYS A 5 5.063 6.664 4.838 1.00 0.92 H new ATOM 0 HG3 LYS A 5 4.959 6.473 6.577 1.00 0.92 H new ATOM 0 HD2 LYS A 5 4.860 4.150 4.609 1.00 1.68 H new ATOM 0 HD3 LYS A 5 6.327 4.699 5.395 1.00 1.68 H new ATOM 0 HE2 LYS A 5 5.366 4.218 7.610 1.00 2.11 H new ATOM 0 HE3 LYS A 5 3.836 3.774 6.881 1.00 2.11 H new ATOM 0 HZ1 LYS A 5 4.628 1.717 6.798 1.00 2.69 H new ATOM 0 HZ2 LYS A 5 5.696 2.224 5.579 1.00 2.69 H new ATOM 0 HZ3 LYS A 5 6.201 2.214 7.200 1.00 2.69 H new ATOM 89 N THR A 6 0.402 4.472 4.103 1.00 0.46 N ATOM 90 CA THR A 6 -1.064 4.420 4.027 1.00 0.50 C ATOM 91 C THR A 6 -1.778 5.539 4.796 1.00 0.60 C ATOM 92 O THR A 6 -2.668 6.183 4.239 1.00 0.64 O ATOM 93 CB THR A 6 -1.599 3.071 4.541 1.00 0.57 C ATOM 94 OG1 THR A 6 -0.522 2.277 5.057 1.00 1.51 O ATOM 95 CG2 THR A 6 -2.309 2.317 3.430 1.00 1.08 C ATOM 0 H THR A 6 0.843 3.553 4.124 1.00 0.46 H new ATOM 0 HA THR A 6 -1.285 4.553 2.968 1.00 0.50 H new ATOM 0 HB THR A 6 -2.314 3.268 5.340 1.00 0.57 H new ATOM 0 HG1 THR A 6 -0.880 1.589 5.656 1.00 1.51 H new ATOM 0 HG21 THR A 6 -2.679 1.367 3.814 1.00 1.08 H new ATOM 0 HG22 THR A 6 -3.146 2.911 3.064 1.00 1.08 H new ATOM 0 HG23 THR A 6 -1.612 2.131 2.613 1.00 1.08 H new ATOM 103 N PRO A 7 -1.430 5.777 6.082 1.00 0.71 N ATOM 104 CA PRO A 7 -2.072 6.812 6.897 1.00 0.85 C ATOM 105 C PRO A 7 -2.464 8.065 6.122 1.00 0.81 C ATOM 106 O PRO A 7 -1.833 8.422 5.129 1.00 0.76 O ATOM 107 CB PRO A 7 -1.003 7.129 7.929 1.00 0.97 C ATOM 108 CG PRO A 7 -0.323 5.823 8.161 1.00 1.03 C ATOM 109 CD PRO A 7 -0.395 5.059 6.858 1.00 0.76 C ATOM 0 HA PRO A 7 -3.019 6.465 7.310 1.00 0.85 H new ATOM 0 HB2 PRO A 7 -0.305 7.882 7.562 1.00 0.97 H new ATOM 0 HB3 PRO A 7 -1.440 7.520 8.848 1.00 0.97 H new ATOM 0 HG2 PRO A 7 0.713 5.974 8.464 1.00 1.03 H new ATOM 0 HG3 PRO A 7 -0.812 5.269 8.962 1.00 1.03 H new ATOM 0 HD2 PRO A 7 0.564 5.060 6.341 1.00 0.76 H new ATOM 0 HD3 PRO A 7 -0.669 4.017 7.021 1.00 0.76 H new ATOM 117 N ILE A 8 -3.507 8.732 6.612 1.00 0.89 N ATOM 118 CA ILE A 8 -4.032 9.949 5.995 1.00 0.90 C ATOM 119 C ILE A 8 -2.924 10.844 5.433 1.00 0.81 C ATOM 120 O ILE A 8 -2.988 11.243 4.270 1.00 0.77 O ATOM 121 CB ILE A 8 -4.883 10.749 7.000 1.00 1.04 C ATOM 122 CG1 ILE A 8 -6.045 9.890 7.503 1.00 1.15 C ATOM 123 CG2 ILE A 8 -5.382 12.045 6.376 1.00 1.08 C ATOM 124 CD1 ILE A 8 -7.107 9.631 6.460 1.00 1.82 C ATOM 0 H ILE A 8 -4.013 8.444 7.449 1.00 0.89 H new ATOM 0 HA ILE A 8 -4.657 9.629 5.161 1.00 0.90 H new ATOM 0 HB ILE A 8 -4.260 11.016 7.854 1.00 1.04 H new ATOM 0 HG12 ILE A 8 -5.654 8.935 7.854 1.00 1.15 H new ATOM 0 HG13 ILE A 8 -6.504 10.382 8.361 1.00 1.15 H new ATOM 0 HG21 ILE A 8 -5.980 12.593 7.104 1.00 1.08 H new ATOM 0 HG22 ILE A 8 -4.531 12.655 6.074 1.00 1.08 H new ATOM 0 HG23 ILE A 8 -5.993 11.817 5.503 1.00 1.08 H new ATOM 0 HD11 ILE A 8 -7.897 9.016 6.890 1.00 1.82 H new ATOM 0 HD12 ILE A 8 -7.527 10.579 6.125 1.00 1.82 H new ATOM 0 HD13 ILE A 8 -6.664 9.111 5.611 1.00 1.82 H new ATOM 136 N PRO A 9 -1.899 11.190 6.242 1.00 0.81 N ATOM 137 CA PRO A 9 -0.792 12.034 5.780 1.00 0.75 C ATOM 138 C PRO A 9 0.179 11.278 4.885 1.00 0.61 C ATOM 139 O PRO A 9 1.392 11.403 5.041 1.00 0.56 O ATOM 140 CB PRO A 9 -0.099 12.428 7.080 1.00 0.84 C ATOM 141 CG PRO A 9 -0.334 11.263 7.968 1.00 0.89 C ATOM 142 CD PRO A 9 -1.734 10.817 7.664 1.00 0.90 C ATOM 0 HA PRO A 9 -1.141 12.875 5.181 1.00 0.75 H new ATOM 0 HB2 PRO A 9 0.965 12.608 6.928 1.00 0.84 H new ATOM 0 HB3 PRO A 9 -0.521 13.342 7.498 1.00 0.84 H new ATOM 0 HG2 PRO A 9 0.385 10.467 7.773 1.00 0.89 H new ATOM 0 HG3 PRO A 9 -0.227 11.539 9.017 1.00 0.89 H new ATOM 0 HD2 PRO A 9 -1.859 9.745 7.817 1.00 0.90 H new ATOM 0 HD3 PRO A 9 -2.464 11.317 8.300 1.00 0.90 H new ATOM 150 N ILE A 10 -0.359 10.479 3.966 1.00 0.58 N ATOM 151 CA ILE A 10 0.464 9.714 3.041 1.00 0.46 C ATOM 152 C ILE A 10 1.644 10.549 2.556 1.00 0.36 C ATOM 153 O ILE A 10 1.498 11.433 1.711 1.00 0.40 O ATOM 154 CB ILE A 10 -0.353 9.194 1.834 1.00 0.52 C ATOM 155 CG1 ILE A 10 -1.106 7.921 2.222 1.00 0.68 C ATOM 156 CG2 ILE A 10 0.553 8.928 0.639 1.00 0.54 C ATOM 157 CD1 ILE A 10 -2.526 7.857 1.706 1.00 0.61 C ATOM 0 H ILE A 10 -1.363 10.347 3.845 1.00 0.58 H new ATOM 0 HA ILE A 10 0.840 8.847 3.585 1.00 0.46 H new ATOM 0 HB ILE A 10 -1.073 9.961 1.549 1.00 0.52 H new ATOM 0 HG12 ILE A 10 -0.556 7.058 1.846 1.00 0.68 H new ATOM 0 HG13 ILE A 10 -1.123 7.839 3.309 1.00 0.68 H new ATOM 0 HG21 ILE A 10 -0.044 8.563 -0.197 1.00 0.54 H new ATOM 0 HG22 ILE A 10 1.055 9.851 0.350 1.00 0.54 H new ATOM 0 HG23 ILE A 10 1.298 8.179 0.907 1.00 0.54 H new ATOM 0 HD11 ILE A 10 -2.988 6.923 2.026 1.00 0.61 H new ATOM 0 HD12 ILE A 10 -3.095 8.698 2.103 1.00 0.61 H new ATOM 0 HD13 ILE A 10 -2.520 7.904 0.617 1.00 0.61 H new ATOM 169 N THR A 11 2.807 10.266 3.122 1.00 0.30 N ATOM 170 CA THR A 11 4.024 10.975 2.773 1.00 0.27 C ATOM 171 C THR A 11 5.135 9.999 2.430 1.00 0.22 C ATOM 172 O THR A 11 5.037 8.804 2.717 1.00 0.24 O ATOM 173 CB THR A 11 4.494 11.891 3.919 1.00 0.33 C ATOM 174 OG1 THR A 11 4.427 11.192 5.168 1.00 0.38 O ATOM 175 CG2 THR A 11 3.647 13.154 3.989 1.00 0.39 C ATOM 0 H THR A 11 2.932 9.543 3.831 1.00 0.30 H new ATOM 0 HA THR A 11 3.797 11.591 1.903 1.00 0.27 H new ATOM 0 HB THR A 11 5.527 12.178 3.721 1.00 0.33 H new ATOM 0 HG1 THR A 11 3.490 11.087 5.434 1.00 0.38 H new ATOM 0 HG21 THR A 11 3.999 13.783 4.806 1.00 0.39 H new ATOM 0 HG22 THR A 11 3.729 13.700 3.049 1.00 0.39 H new ATOM 0 HG23 THR A 11 2.605 12.884 4.162 1.00 0.39 H new ATOM 183 N SER A 12 6.191 10.514 1.823 1.00 0.21 N ATOM 184 CA SER A 12 7.326 9.688 1.434 1.00 0.20 C ATOM 185 C SER A 12 8.349 9.615 2.562 1.00 0.25 C ATOM 186 O SER A 12 8.799 10.640 3.075 1.00 0.37 O ATOM 187 CB SER A 12 7.966 10.244 0.162 1.00 0.26 C ATOM 188 OG SER A 12 9.365 10.020 0.148 1.00 0.58 O ATOM 0 H SER A 12 6.288 11.502 1.588 1.00 0.21 H new ATOM 0 HA SER A 12 6.971 8.677 1.234 1.00 0.20 H new ATOM 0 HB2 SER A 12 7.512 9.775 -0.711 1.00 0.26 H new ATOM 0 HB3 SER A 12 7.766 11.313 0.089 1.00 0.26 H new ATOM 0 HG SER A 12 9.746 10.385 -0.678 1.00 0.58 H new ATOM 194 N GLU A 13 8.713 8.394 2.943 1.00 0.19 N ATOM 195 CA GLU A 13 9.671 8.182 4.023 1.00 0.26 C ATOM 196 C GLU A 13 10.598 7.014 3.710 1.00 0.19 C ATOM 197 O GLU A 13 10.225 6.093 2.983 1.00 0.16 O ATOM 198 CB GLU A 13 8.942 7.930 5.345 1.00 0.36 C ATOM 199 CG GLU A 13 8.136 9.123 5.834 1.00 1.32 C ATOM 200 CD GLU A 13 7.498 8.882 7.188 1.00 1.92 C ATOM 201 OE1 GLU A 13 6.377 8.334 7.227 1.00 2.55 O ATOM 202 OE2 GLU A 13 8.122 9.241 8.210 1.00 2.36 O ATOM 0 H GLU A 13 8.359 7.536 2.520 1.00 0.19 H new ATOM 0 HA GLU A 13 10.274 9.085 4.117 1.00 0.26 H new ATOM 0 HB2 GLU A 13 8.275 7.076 5.225 1.00 0.36 H new ATOM 0 HB3 GLU A 13 9.673 7.659 6.107 1.00 0.36 H new ATOM 0 HG2 GLU A 13 8.786 9.996 5.893 1.00 1.32 H new ATOM 0 HG3 GLU A 13 7.358 9.354 5.106 1.00 1.32 H new ATOM 209 N THR A 14 11.802 7.053 4.270 1.00 0.23 N ATOM 210 CA THR A 14 12.784 6.004 4.040 1.00 0.20 C ATOM 211 C THR A 14 12.430 4.730 4.804 1.00 0.21 C ATOM 212 O THR A 14 11.811 4.782 5.867 1.00 0.24 O ATOM 213 CB THR A 14 14.195 6.463 4.445 1.00 0.23 C ATOM 214 OG1 THR A 14 14.473 7.747 3.874 1.00 0.29 O ATOM 215 CG2 THR A 14 15.241 5.462 3.979 1.00 0.25 C ATOM 0 H THR A 14 12.120 7.801 4.887 1.00 0.23 H new ATOM 0 HA THR A 14 12.772 5.789 2.971 1.00 0.20 H new ATOM 0 HB THR A 14 14.235 6.531 5.532 1.00 0.23 H new ATOM 0 HG1 THR A 14 15.372 8.034 4.137 1.00 0.29 H new ATOM 0 HG21 THR A 14 16.232 5.806 4.276 1.00 0.25 H new ATOM 0 HG22 THR A 14 15.043 4.491 4.433 1.00 0.25 H new ATOM 0 HG23 THR A 14 15.199 5.370 2.894 1.00 0.25 H new ATOM 223 N CYS A 15 12.832 3.589 4.250 1.00 0.23 N ATOM 224 CA CYS A 15 12.562 2.295 4.868 1.00 0.29 C ATOM 225 C CYS A 15 13.540 2.000 5.997 1.00 0.28 C ATOM 226 O CYS A 15 14.423 2.802 6.302 1.00 0.29 O ATOM 227 CB CYS A 15 12.644 1.179 3.826 1.00 0.35 C ATOM 228 SG CYS A 15 11.357 1.256 2.541 1.00 0.81 S ATOM 0 H CYS A 15 13.347 3.535 3.371 1.00 0.23 H new ATOM 0 HA CYS A 15 11.555 2.337 5.283 1.00 0.29 H new ATOM 0 HB2 CYS A 15 13.622 1.217 3.346 1.00 0.35 H new ATOM 0 HB3 CYS A 15 12.576 0.217 4.335 1.00 0.35 H new ATOM 233 N ALA A 16 13.365 0.836 6.610 1.00 0.34 N ATOM 234 CA ALA A 16 14.223 0.400 7.705 1.00 0.36 C ATOM 235 C ALA A 16 15.374 -0.456 7.178 1.00 0.32 C ATOM 236 O ALA A 16 15.288 -1.003 6.079 1.00 0.29 O ATOM 237 CB ALA A 16 13.405 -0.379 8.726 1.00 0.39 C ATOM 0 H ALA A 16 12.630 0.172 6.365 1.00 0.34 H new ATOM 0 HA ALA A 16 14.647 1.280 8.189 1.00 0.36 H new ATOM 0 HB1 ALA A 16 14.053 -0.702 9.541 1.00 0.39 H new ATOM 0 HB2 ALA A 16 12.614 0.258 9.121 1.00 0.39 H new ATOM 0 HB3 ALA A 16 12.962 -1.252 8.247 1.00 0.39 H new ATOM 243 N PRO A 17 16.471 -0.584 7.950 1.00 0.38 N ATOM 244 CA PRO A 17 17.633 -1.381 7.540 1.00 0.40 C ATOM 245 C PRO A 17 17.252 -2.805 7.153 1.00 0.35 C ATOM 246 O PRO A 17 16.564 -3.500 7.902 1.00 0.36 O ATOM 247 CB PRO A 17 18.540 -1.386 8.780 1.00 0.50 C ATOM 248 CG PRO A 17 17.691 -0.881 9.900 1.00 0.61 C ATOM 249 CD PRO A 17 16.673 0.025 9.273 1.00 0.47 C ATOM 0 HA PRO A 17 18.113 -0.962 6.655 1.00 0.40 H new ATOM 0 HB2 PRO A 17 18.911 -2.389 8.991 1.00 0.50 H new ATOM 0 HB3 PRO A 17 19.412 -0.749 8.631 1.00 0.50 H new ATOM 0 HG2 PRO A 17 17.208 -1.705 10.426 1.00 0.61 H new ATOM 0 HG3 PRO A 17 18.292 -0.344 10.633 1.00 0.61 H new ATOM 0 HD2 PRO A 17 15.749 0.056 9.850 1.00 0.47 H new ATOM 0 HD3 PRO A 17 17.036 1.050 9.196 1.00 0.47 H new ATOM 257 N GLY A 18 17.704 -3.232 5.979 1.00 0.36 N ATOM 258 CA GLY A 18 17.399 -4.570 5.505 1.00 0.35 C ATOM 259 C GLY A 18 16.365 -4.569 4.396 1.00 0.32 C ATOM 260 O GLY A 18 16.348 -5.467 3.554 1.00 0.34 O ATOM 0 H GLY A 18 18.277 -2.675 5.346 1.00 0.36 H new ATOM 0 HA2 GLY A 18 18.313 -5.042 5.145 1.00 0.35 H new ATOM 0 HA3 GLY A 18 17.035 -5.173 6.337 1.00 0.35 H new ATOM 264 N GLN A 19 15.500 -3.558 4.398 1.00 0.28 N ATOM 265 CA GLN A 19 14.455 -3.442 3.386 1.00 0.26 C ATOM 266 C GLN A 19 14.882 -2.477 2.286 1.00 0.20 C ATOM 267 O GLN A 19 15.623 -1.526 2.538 1.00 0.41 O ATOM 268 CB GLN A 19 13.146 -2.970 4.023 1.00 0.40 C ATOM 269 CG GLN A 19 12.993 -3.390 5.478 1.00 0.48 C ATOM 270 CD GLN A 19 11.546 -3.570 5.896 1.00 0.59 C ATOM 271 OE1 GLN A 19 10.642 -2.848 5.245 1.00 1.44 O flip ATOM 272 NE2 GLN A 19 11.242 -4.358 6.791 1.00 0.53 N flip ATOM 0 H GLN A 19 15.502 -2.808 5.089 1.00 0.28 H new ATOM 0 HA GLN A 19 14.294 -4.425 2.943 1.00 0.26 H new ATOM 0 HB2 GLN A 19 13.091 -1.883 3.959 1.00 0.40 H new ATOM 0 HB3 GLN A 19 12.308 -3.366 3.449 1.00 0.40 H new ATOM 0 HG2 GLN A 19 13.530 -4.325 5.639 1.00 0.48 H new ATOM 0 HG3 GLN A 19 13.459 -2.640 6.117 1.00 0.48 H new ATOM 0 HE21 GLN A 19 11.968 -4.894 7.267 1.00 0.53 H new ATOM 0 HE22 GLN A 19 10.264 -4.475 7.057 1.00 0.53 H new ATOM 281 N ASN A 20 14.414 -2.722 1.066 1.00 0.19 N ATOM 282 CA ASN A 20 14.764 -1.875 -0.066 1.00 0.21 C ATOM 283 C ASN A 20 13.647 -1.828 -1.108 1.00 0.17 C ATOM 284 O ASN A 20 13.832 -1.283 -2.195 1.00 0.21 O ATOM 285 CB ASN A 20 16.050 -2.386 -0.709 1.00 0.36 C ATOM 286 CG ASN A 20 15.978 -3.859 -1.064 1.00 1.26 C ATOM 287 OD1 ASN A 20 14.908 -4.385 -1.374 1.00 2.05 O ATOM 288 ND2 ASN A 20 17.120 -4.535 -1.021 1.00 2.02 N ATOM 0 H ASN A 20 13.793 -3.498 0.838 1.00 0.19 H new ATOM 0 HA ASN A 20 14.911 -0.861 0.307 1.00 0.21 H new ATOM 0 HB2 ASN A 20 16.256 -1.808 -1.610 1.00 0.36 H new ATOM 0 HB3 ASN A 20 16.884 -2.221 -0.027 1.00 0.36 H new ATOM 0 HD21 ASN A 20 17.133 -5.529 -1.250 1.00 2.02 H new ATOM 0 HD22 ASN A 20 17.984 -4.060 -0.759 1.00 2.02 H new ATOM 295 N LEU A 21 12.494 -2.404 -0.779 1.00 0.18 N ATOM 296 CA LEU A 21 11.366 -2.421 -1.695 1.00 0.18 C ATOM 297 C LEU A 21 10.074 -2.014 -0.996 1.00 0.21 C ATOM 298 O LEU A 21 9.821 -2.419 0.127 1.00 0.39 O ATOM 299 CB LEU A 21 11.200 -3.817 -2.284 1.00 0.21 C ATOM 300 CG LEU A 21 10.231 -3.893 -3.452 1.00 0.70 C ATOM 301 CD1 LEU A 21 10.846 -3.250 -4.675 1.00 1.20 C ATOM 302 CD2 LEU A 21 9.847 -5.331 -3.736 1.00 1.31 C ATOM 0 H LEU A 21 12.320 -2.864 0.115 1.00 0.18 H new ATOM 0 HA LEU A 21 11.570 -1.702 -2.488 1.00 0.18 H new ATOM 0 HB2 LEU A 21 12.175 -4.178 -2.612 1.00 0.21 H new ATOM 0 HB3 LEU A 21 10.858 -4.491 -1.499 1.00 0.21 H new ATOM 0 HG LEU A 21 9.323 -3.349 -3.191 1.00 0.70 H new ATOM 0 HD11 LEU A 21 10.145 -3.308 -5.508 1.00 1.20 H new ATOM 0 HD12 LEU A 21 11.071 -2.205 -4.462 1.00 1.20 H new ATOM 0 HD13 LEU A 21 11.766 -3.773 -4.937 1.00 1.20 H new ATOM 0 HD21 LEU A 21 9.153 -5.363 -4.576 1.00 1.31 H new ATOM 0 HD22 LEU A 21 10.741 -5.904 -3.982 1.00 1.31 H new ATOM 0 HD23 LEU A 21 9.371 -5.761 -2.855 1.00 1.31 H new ATOM 314 N CYS A 22 9.260 -1.212 -1.670 1.00 0.20 N ATOM 315 CA CYS A 22 7.987 -0.774 -1.106 1.00 0.21 C ATOM 316 C CYS A 22 6.868 -1.705 -1.565 1.00 0.20 C ATOM 317 O CYS A 22 6.919 -2.238 -2.673 1.00 0.31 O ATOM 318 CB CYS A 22 7.678 0.661 -1.538 1.00 0.24 C ATOM 319 SG CYS A 22 9.100 1.797 -1.446 1.00 0.35 S ATOM 0 H CYS A 22 9.456 -0.852 -2.604 1.00 0.20 H new ATOM 0 HA CYS A 22 8.058 -0.805 -0.019 1.00 0.21 H new ATOM 0 HB2 CYS A 22 7.305 0.647 -2.562 1.00 0.24 H new ATOM 0 HB3 CYS A 22 6.876 1.051 -0.912 1.00 0.24 H new ATOM 324 N TYR A 23 5.856 -1.905 -0.720 1.00 0.21 N ATOM 325 CA TYR A 23 4.743 -2.773 -1.083 1.00 0.20 C ATOM 326 C TYR A 23 3.414 -2.054 -0.945 1.00 0.19 C ATOM 327 O TYR A 23 3.213 -1.228 -0.050 1.00 0.20 O ATOM 328 CB TYR A 23 4.725 -4.073 -0.260 1.00 0.22 C ATOM 329 CG TYR A 23 4.325 -3.907 1.193 1.00 0.21 C ATOM 330 CD1 TYR A 23 2.990 -3.777 1.552 1.00 0.22 C ATOM 331 CD2 TYR A 23 5.283 -3.861 2.203 1.00 0.22 C ATOM 332 CE1 TYR A 23 2.620 -3.609 2.873 1.00 0.23 C ATOM 333 CE2 TYR A 23 4.920 -3.698 3.524 1.00 0.23 C ATOM 334 CZ TYR A 23 3.591 -3.636 3.863 1.00 0.23 C ATOM 335 OH TYR A 23 3.223 -3.403 5.172 1.00 0.25 O ATOM 0 H TYR A 23 5.786 -1.483 0.206 1.00 0.21 H new ATOM 0 HA TYR A 23 4.891 -3.042 -2.129 1.00 0.20 H new ATOM 0 HB2 TYR A 23 4.038 -4.775 -0.732 1.00 0.22 H new ATOM 0 HB3 TYR A 23 5.717 -4.523 -0.299 1.00 0.22 H new ATOM 0 HD1 TYR A 23 2.229 -3.808 0.787 1.00 0.22 H new ATOM 0 HD2 TYR A 23 6.328 -3.955 1.948 1.00 0.22 H new ATOM 0 HE1 TYR A 23 1.583 -3.458 3.132 1.00 0.23 H new ATOM 0 HE2 TYR A 23 5.679 -3.619 4.289 1.00 0.23 H new ATOM 0 HH TYR A 23 2.405 -3.903 5.376 1.00 0.25 H new ATOM 345 N THR A 24 2.518 -2.386 -1.855 1.00 0.18 N ATOM 346 CA THR A 24 1.180 -1.818 -1.888 1.00 0.18 C ATOM 347 C THR A 24 0.148 -2.931 -1.785 1.00 0.16 C ATOM 348 O THR A 24 -0.072 -3.671 -2.739 1.00 0.18 O ATOM 349 CB THR A 24 0.947 -1.013 -3.184 1.00 0.22 C ATOM 350 OG1 THR A 24 1.695 0.208 -3.143 1.00 0.26 O ATOM 351 CG2 THR A 24 -0.531 -0.702 -3.385 1.00 0.25 C ATOM 0 H THR A 24 2.697 -3.062 -2.598 1.00 0.18 H new ATOM 0 HA THR A 24 1.077 -1.139 -1.041 1.00 0.18 H new ATOM 0 HB THR A 24 1.285 -1.622 -4.022 1.00 0.22 H new ATOM 0 HG1 THR A 24 1.108 0.959 -3.370 1.00 0.26 H new ATOM 0 HG21 THR A 24 -0.661 -0.134 -4.306 1.00 0.25 H new ATOM 0 HG22 THR A 24 -1.093 -1.634 -3.450 1.00 0.25 H new ATOM 0 HG23 THR A 24 -0.897 -0.115 -2.542 1.00 0.25 H new ATOM 359 N LYS A 25 -0.489 -3.041 -0.630 1.00 0.16 N ATOM 360 CA LYS A 25 -1.479 -4.085 -0.405 1.00 0.17 C ATOM 361 C LYS A 25 -2.878 -3.580 -0.696 1.00 0.16 C ATOM 362 O LYS A 25 -3.391 -2.714 -0.002 1.00 0.19 O ATOM 363 CB LYS A 25 -1.411 -4.567 1.042 1.00 0.23 C ATOM 364 CG LYS A 25 -1.387 -6.077 1.191 1.00 0.35 C ATOM 365 CD LYS A 25 -0.059 -6.542 1.757 1.00 0.60 C ATOM 366 CE LYS A 25 0.024 -8.056 1.834 1.00 0.69 C ATOM 367 NZ LYS A 25 0.239 -8.666 0.495 1.00 0.75 N ATOM 0 H LYS A 25 -0.339 -2.421 0.166 1.00 0.16 H new ATOM 0 HA LYS A 25 -1.256 -4.910 -1.081 1.00 0.17 H new ATOM 0 HB2 LYS A 25 -0.519 -4.152 1.510 1.00 0.23 H new ATOM 0 HB3 LYS A 25 -2.269 -4.172 1.586 1.00 0.23 H new ATOM 0 HG2 LYS A 25 -2.198 -6.395 1.846 1.00 0.35 H new ATOM 0 HG3 LYS A 25 -1.558 -6.545 0.222 1.00 0.35 H new ATOM 0 HD2 LYS A 25 0.753 -6.165 1.135 1.00 0.60 H new ATOM 0 HD3 LYS A 25 0.079 -6.120 2.752 1.00 0.60 H new ATOM 0 HE2 LYS A 25 0.839 -8.342 2.499 1.00 0.69 H new ATOM 0 HE3 LYS A 25 -0.895 -8.449 2.269 1.00 0.69 H new ATOM 0 HZ1 LYS A 25 -0.120 -9.642 0.497 1.00 0.75 H new ATOM 0 HZ2 LYS A 25 -0.268 -8.112 -0.224 1.00 0.75 H new ATOM 0 HZ3 LYS A 25 1.255 -8.671 0.275 1.00 0.75 H new ATOM 381 N THR A 26 -3.492 -4.129 -1.726 1.00 0.18 N ATOM 382 CA THR A 26 -4.845 -3.744 -2.088 1.00 0.21 C ATOM 383 C THR A 26 -5.773 -4.932 -1.916 1.00 0.24 C ATOM 384 O THR A 26 -5.565 -5.987 -2.518 1.00 0.28 O ATOM 385 CB THR A 26 -4.934 -3.215 -3.528 1.00 0.26 C ATOM 386 OG1 THR A 26 -4.482 -4.211 -4.449 1.00 0.35 O ATOM 387 CG2 THR A 26 -4.102 -1.952 -3.696 1.00 0.31 C ATOM 0 H THR A 26 -3.078 -4.842 -2.327 1.00 0.18 H new ATOM 0 HA THR A 26 -5.147 -2.933 -1.426 1.00 0.21 H new ATOM 0 HB THR A 26 -5.977 -2.976 -3.735 1.00 0.26 H new ATOM 0 HG1 THR A 26 -5.008 -4.157 -5.274 1.00 0.35 H new ATOM 0 HG21 THR A 26 -4.182 -1.598 -4.724 1.00 0.31 H new ATOM 0 HG22 THR A 26 -4.468 -1.182 -3.017 1.00 0.31 H new ATOM 0 HG23 THR A 26 -3.059 -2.170 -3.468 1.00 0.31 H new ATOM 395 N TRP A 27 -6.796 -4.760 -1.094 1.00 0.25 N ATOM 396 CA TRP A 27 -7.724 -5.846 -0.816 1.00 0.31 C ATOM 397 C TRP A 27 -9.102 -5.337 -0.410 1.00 0.37 C ATOM 398 O TRP A 27 -9.319 -4.141 -0.199 1.00 0.38 O ATOM 399 CB TRP A 27 -7.156 -6.728 0.303 1.00 0.32 C ATOM 400 CG TRP A 27 -6.598 -5.926 1.444 1.00 0.30 C ATOM 401 CD1 TRP A 27 -7.010 -4.689 1.829 1.00 0.31 C ATOM 402 CD2 TRP A 27 -5.539 -6.283 2.345 1.00 0.32 C ATOM 403 NE1 TRP A 27 -6.274 -4.244 2.886 1.00 0.32 N ATOM 404 CE2 TRP A 27 -5.371 -5.200 3.231 1.00 0.32 C ATOM 405 CE3 TRP A 27 -4.715 -7.398 2.493 1.00 0.35 C ATOM 406 CZ2 TRP A 27 -4.422 -5.200 4.243 1.00 0.36 C ATOM 407 CZ3 TRP A 27 -3.771 -7.391 3.505 1.00 0.39 C ATOM 408 CH2 TRP A 27 -3.633 -6.301 4.365 1.00 0.39 C ATOM 0 H TRP A 27 -7.004 -3.886 -0.611 1.00 0.25 H new ATOM 0 HA TRP A 27 -7.842 -6.422 -1.734 1.00 0.31 H new ATOM 0 HB2 TRP A 27 -7.941 -7.386 0.676 1.00 0.32 H new ATOM 0 HB3 TRP A 27 -6.372 -7.366 -0.105 1.00 0.32 H new ATOM 0 HD1 TRP A 27 -7.811 -4.135 1.361 1.00 0.31 H new ATOM 0 HE1 TRP A 27 -6.383 -3.339 3.344 1.00 0.32 H new ATOM 0 HE3 TRP A 27 -4.811 -8.248 1.833 1.00 0.35 H new ATOM 0 HZ2 TRP A 27 -4.314 -4.357 4.909 1.00 0.36 H new ATOM 0 HZ3 TRP A 27 -3.127 -8.248 3.632 1.00 0.39 H new ATOM 0 HH2 TRP A 27 -2.885 -6.332 5.143 1.00 0.39 H new ATOM 419 N CYS A 28 -10.020 -6.281 -0.301 1.00 0.45 N ATOM 420 CA CYS A 28 -11.398 -6.003 0.085 1.00 0.54 C ATOM 421 C CYS A 28 -12.092 -7.298 0.507 1.00 0.62 C ATOM 422 O CYS A 28 -12.296 -8.194 -0.312 1.00 0.64 O ATOM 423 CB CYS A 28 -12.141 -5.340 -1.083 1.00 0.59 C ATOM 424 SG CYS A 28 -13.854 -5.914 -1.332 1.00 1.31 S ATOM 0 H CYS A 28 -9.833 -7.268 -0.478 1.00 0.45 H new ATOM 0 HA CYS A 28 -11.406 -5.318 0.933 1.00 0.54 H new ATOM 0 HB2 CYS A 28 -12.155 -4.262 -0.920 1.00 0.59 H new ATOM 0 HB3 CYS A 28 -11.578 -5.517 -1.999 1.00 0.59 H new ATOM 429 N ASP A 29 -12.447 -7.400 1.787 1.00 0.69 N ATOM 430 CA ASP A 29 -13.113 -8.599 2.295 1.00 0.78 C ATOM 431 C ASP A 29 -14.013 -8.284 3.489 1.00 0.90 C ATOM 432 O ASP A 29 -15.144 -7.828 3.328 1.00 0.97 O ATOM 433 CB ASP A 29 -12.078 -9.654 2.692 1.00 0.78 C ATOM 434 CG ASP A 29 -12.707 -11.005 2.974 1.00 1.36 C ATOM 435 OD1 ASP A 29 -12.839 -11.808 2.026 1.00 1.48 O ATOM 436 OD2 ASP A 29 -13.072 -11.259 4.141 1.00 2.22 O ATOM 0 H ASP A 29 -12.287 -6.674 2.486 1.00 0.69 H new ATOM 0 HA ASP A 29 -13.740 -8.988 1.493 1.00 0.78 H new ATOM 0 HB2 ASP A 29 -11.344 -9.758 1.893 1.00 0.78 H new ATOM 0 HB3 ASP A 29 -11.539 -9.315 3.577 1.00 0.78 H new ATOM 441 N ALA A 30 -13.492 -8.541 4.688 1.00 0.94 N ATOM 442 CA ALA A 30 -14.232 -8.300 5.924 1.00 1.07 C ATOM 443 C ALA A 30 -14.657 -6.843 6.040 1.00 1.06 C ATOM 444 O ALA A 30 -15.841 -6.535 6.169 1.00 1.16 O ATOM 445 CB ALA A 30 -13.382 -8.686 7.125 1.00 1.13 C ATOM 0 H ALA A 30 -12.555 -8.918 4.829 1.00 0.94 H new ATOM 0 HA ALA A 30 -15.131 -8.916 5.902 1.00 1.07 H new ATOM 0 HB1 ALA A 30 -13.943 -8.503 8.042 1.00 1.13 H new ATOM 0 HB2 ALA A 30 -13.124 -9.743 7.063 1.00 1.13 H new ATOM 0 HB3 ALA A 30 -12.470 -8.089 7.132 1.00 1.13 H new ATOM 451 N TRP A 31 -13.674 -5.956 5.993 1.00 0.98 N ATOM 452 CA TRP A 31 -13.920 -4.524 6.096 1.00 0.99 C ATOM 453 C TRP A 31 -14.644 -4.021 4.852 1.00 0.98 C ATOM 454 O TRP A 31 -15.078 -2.871 4.789 1.00 1.04 O ATOM 455 CB TRP A 31 -12.594 -3.779 6.265 1.00 0.94 C ATOM 456 CG TRP A 31 -11.496 -4.633 6.831 1.00 0.91 C ATOM 457 CD1 TRP A 31 -11.206 -4.828 8.149 1.00 0.98 C ATOM 458 CD2 TRP A 31 -10.547 -5.414 6.091 1.00 0.86 C ATOM 459 NE1 TRP A 31 -10.130 -5.671 8.276 1.00 0.98 N ATOM 460 CE2 TRP A 31 -9.708 -6.046 7.028 1.00 0.91 C ATOM 461 CE3 TRP A 31 -10.324 -5.638 4.729 1.00 0.81 C ATOM 462 CZ2 TRP A 31 -8.663 -6.886 6.646 1.00 0.92 C ATOM 463 CZ3 TRP A 31 -9.288 -6.472 4.351 1.00 0.81 C ATOM 464 CH2 TRP A 31 -8.469 -7.086 5.306 1.00 0.87 C ATOM 0 H TRP A 31 -12.691 -6.205 5.883 1.00 0.98 H new ATOM 0 HA TRP A 31 -14.549 -4.337 6.967 1.00 0.99 H new ATOM 0 HB2 TRP A 31 -12.279 -3.390 5.297 1.00 0.94 H new ATOM 0 HB3 TRP A 31 -12.749 -2.920 6.918 1.00 0.94 H new ATOM 0 HD1 TRP A 31 -11.744 -4.384 8.973 1.00 0.98 H new ATOM 0 HE1 TRP A 31 -9.712 -5.970 9.157 1.00 0.98 H new ATOM 0 HE3 TRP A 31 -10.950 -5.168 3.985 1.00 0.81 H new ATOM 0 HZ2 TRP A 31 -8.030 -7.361 7.380 1.00 0.92 H new ATOM 0 HZ3 TRP A 31 -9.108 -6.653 3.302 1.00 0.81 H new ATOM 0 HH2 TRP A 31 -7.667 -7.731 4.978 1.00 0.87 H new ATOM 475 N CYS A 32 -14.763 -4.904 3.868 1.00 0.94 N ATOM 476 CA CYS A 32 -15.423 -4.587 2.610 1.00 0.97 C ATOM 477 C CYS A 32 -16.908 -4.920 2.679 1.00 1.10 C ATOM 478 O CYS A 32 -17.557 -5.120 1.652 1.00 1.47 O ATOM 479 CB CYS A 32 -14.764 -5.383 1.491 1.00 0.95 C ATOM 480 SG CYS A 32 -14.962 -4.673 -0.171 1.00 0.97 S ATOM 0 H CYS A 32 -14.405 -5.858 3.920 1.00 0.94 H new ATOM 0 HA CYS A 32 -15.324 -3.519 2.415 1.00 0.97 H new ATOM 0 HB2 CYS A 32 -13.700 -5.474 1.707 1.00 0.95 H new ATOM 0 HB3 CYS A 32 -15.176 -6.392 1.491 1.00 0.95 H new ATOM 485 N GLY A 33 -17.429 -4.984 3.899 1.00 1.28 N ATOM 486 CA GLY A 33 -18.836 -5.293 4.104 1.00 1.47 C ATOM 487 C GLY A 33 -19.752 -4.536 3.160 1.00 2.07 C ATOM 488 O GLY A 33 -20.840 -5.007 2.830 1.00 2.53 O ATOM 0 H GLY A 33 -16.900 -4.827 4.757 1.00 1.28 H new ATOM 0 HA2 GLY A 33 -18.990 -6.364 3.971 1.00 1.47 H new ATOM 0 HA3 GLY A 33 -19.108 -5.057 5.133 1.00 1.47 H new ATOM 492 N SER A 34 -19.309 -3.360 2.723 1.00 2.44 N ATOM 493 CA SER A 34 -20.093 -2.539 1.809 1.00 3.45 C ATOM 494 C SER A 34 -19.212 -1.974 0.698 1.00 3.56 C ATOM 495 O SER A 34 -19.263 -2.431 -0.443 1.00 4.28 O ATOM 496 CB SER A 34 -20.772 -1.398 2.568 1.00 4.13 C ATOM 497 OG SER A 34 -21.531 -0.580 1.694 1.00 4.69 O ATOM 0 H SER A 34 -18.411 -2.955 2.988 1.00 2.44 H new ATOM 0 HA SER A 34 -20.859 -3.170 1.358 1.00 3.45 H new ATOM 0 HB2 SER A 34 -21.421 -1.808 3.342 1.00 4.13 H new ATOM 0 HB3 SER A 34 -20.018 -0.794 3.072 1.00 4.13 H new ATOM 0 HG SER A 34 -21.955 0.140 2.206 1.00 4.69 H new ATOM 503 N ARG A 35 -18.406 -0.977 1.044 1.00 3.00 N ATOM 504 CA ARG A 35 -17.516 -0.340 0.088 1.00 3.12 C ATOM 505 C ARG A 35 -16.275 0.197 0.789 1.00 2.03 C ATOM 506 O ARG A 35 -15.521 0.989 0.224 1.00 2.11 O ATOM 507 CB ARG A 35 -18.242 0.796 -0.621 1.00 3.95 C ATOM 508 CG ARG A 35 -18.624 1.937 0.303 1.00 4.47 C ATOM 509 CD ARG A 35 -19.053 3.168 -0.479 1.00 5.52 C ATOM 510 NE ARG A 35 -19.246 4.325 0.390 1.00 6.05 N ATOM 511 CZ ARG A 35 -19.142 5.585 -0.025 1.00 7.03 C ATOM 512 NH1 ARG A 35 -18.854 5.849 -1.293 1.00 7.53 N ATOM 513 NH2 ARG A 35 -19.328 6.582 0.829 1.00 7.71 N ATOM 0 H ARG A 35 -18.353 -0.592 1.987 1.00 3.00 H new ATOM 0 HA ARG A 35 -17.207 -1.083 -0.647 1.00 3.12 H new ATOM 0 HB2 ARG A 35 -17.607 1.181 -1.419 1.00 3.95 H new ATOM 0 HB3 ARG A 35 -19.143 0.403 -1.093 1.00 3.95 H new ATOM 0 HG2 ARG A 35 -19.435 1.620 0.958 1.00 4.47 H new ATOM 0 HG3 ARG A 35 -17.778 2.188 0.942 1.00 4.47 H new ATOM 0 HD2 ARG A 35 -18.300 3.401 -1.232 1.00 5.52 H new ATOM 0 HD3 ARG A 35 -19.980 2.955 -1.011 1.00 5.52 H new ATOM 0 HE ARG A 35 -19.473 4.158 1.370 1.00 6.05 H new ATOM 0 HH11 ARG A 35 -18.712 5.085 -1.953 1.00 7.53 H new ATOM 0 HH12 ARG A 35 -18.775 6.816 -1.607 1.00 7.53 H new ATOM 0 HH21 ARG A 35 -19.551 6.383 1.804 1.00 7.71 H new ATOM 0 HH22 ARG A 35 -19.248 7.548 0.511 1.00 7.71 H new ATOM 527 N GLY A 36 -16.079 -0.238 2.029 1.00 1.30 N ATOM 528 CA GLY A 36 -14.940 0.207 2.809 1.00 1.09 C ATOM 529 C GLY A 36 -13.655 -0.493 2.420 1.00 0.99 C ATOM 530 O GLY A 36 -13.053 -1.194 3.233 1.00 1.47 O ATOM 0 H GLY A 36 -16.693 -0.895 2.510 1.00 1.30 H new ATOM 0 HA2 GLY A 36 -14.816 1.282 2.682 1.00 1.09 H new ATOM 0 HA3 GLY A 36 -15.138 0.032 3.866 1.00 1.09 H new ATOM 534 N LYS A 37 -13.239 -0.305 1.173 1.00 0.68 N ATOM 535 CA LYS A 37 -12.018 -0.905 0.672 1.00 0.57 C ATOM 536 C LYS A 37 -10.846 -0.587 1.588 1.00 0.52 C ATOM 537 O LYS A 37 -10.778 0.492 2.178 1.00 0.60 O ATOM 538 CB LYS A 37 -11.728 -0.403 -0.741 1.00 0.62 C ATOM 539 CG LYS A 37 -12.785 -0.798 -1.758 1.00 0.84 C ATOM 540 CD LYS A 37 -12.424 -0.316 -3.155 1.00 1.27 C ATOM 541 CE LYS A 37 -11.198 -1.036 -3.698 1.00 1.92 C ATOM 542 NZ LYS A 37 -11.412 -2.506 -3.783 1.00 2.59 N ATOM 0 H LYS A 37 -13.737 0.264 0.489 1.00 0.68 H new ATOM 0 HA LYS A 37 -12.152 -1.986 0.646 1.00 0.57 H new ATOM 0 HB2 LYS A 37 -11.644 0.684 -0.721 1.00 0.62 H new ATOM 0 HB3 LYS A 37 -10.762 -0.792 -1.064 1.00 0.62 H new ATOM 0 HG2 LYS A 37 -12.898 -1.882 -1.764 1.00 0.84 H new ATOM 0 HG3 LYS A 37 -13.748 -0.379 -1.465 1.00 0.84 H new ATOM 0 HD2 LYS A 37 -13.268 -0.478 -3.825 1.00 1.27 H new ATOM 0 HD3 LYS A 37 -12.236 0.757 -3.133 1.00 1.27 H new ATOM 0 HE2 LYS A 37 -10.956 -0.646 -4.687 1.00 1.92 H new ATOM 0 HE3 LYS A 37 -10.342 -0.830 -3.056 1.00 1.92 H new ATOM 0 HZ1 LYS A 37 -10.695 -2.926 -4.408 1.00 2.59 H new ATOM 0 HZ2 LYS A 37 -11.331 -2.924 -2.834 1.00 2.59 H new ATOM 0 HZ3 LYS A 37 -12.360 -2.697 -4.166 1.00 2.59 H new ATOM 556 N VAL A 38 -9.926 -1.533 1.702 1.00 0.44 N ATOM 557 CA VAL A 38 -8.755 -1.360 2.552 1.00 0.42 C ATOM 558 C VAL A 38 -7.474 -1.529 1.749 1.00 0.33 C ATOM 559 O VAL A 38 -7.468 -2.169 0.699 1.00 0.29 O ATOM 560 CB VAL A 38 -8.765 -2.368 3.724 1.00 0.50 C ATOM 561 CG1 VAL A 38 -7.620 -2.112 4.701 1.00 1.00 C ATOM 562 CG2 VAL A 38 -10.099 -2.309 4.443 1.00 1.21 C ATOM 0 H VAL A 38 -9.967 -2.429 1.217 1.00 0.44 H new ATOM 0 HA VAL A 38 -8.792 -0.349 2.957 1.00 0.42 H new ATOM 0 HB VAL A 38 -8.622 -3.366 3.310 1.00 0.50 H new ATOM 0 HG11 VAL A 38 -7.662 -2.841 5.510 1.00 1.00 H new ATOM 0 HG12 VAL A 38 -6.668 -2.205 4.178 1.00 1.00 H new ATOM 0 HG13 VAL A 38 -7.711 -1.107 5.113 1.00 1.00 H new ATOM 0 HG21 VAL A 38 -10.100 -3.022 5.268 1.00 1.21 H new ATOM 0 HG22 VAL A 38 -10.258 -1.303 4.832 1.00 1.21 H new ATOM 0 HG23 VAL A 38 -10.899 -2.559 3.746 1.00 1.21 H new ATOM 572 N ILE A 39 -6.402 -0.917 2.233 1.00 0.33 N ATOM 573 CA ILE A 39 -5.102 -1.006 1.583 1.00 0.28 C ATOM 574 C ILE A 39 -3.985 -0.871 2.617 1.00 0.33 C ATOM 575 O ILE A 39 -4.042 0.000 3.483 1.00 0.55 O ATOM 576 CB ILE A 39 -4.943 0.069 0.479 1.00 0.32 C ATOM 577 CG1 ILE A 39 -5.781 -0.302 -0.745 1.00 0.31 C ATOM 578 CG2 ILE A 39 -3.482 0.249 0.092 1.00 0.36 C ATOM 579 CD1 ILE A 39 -5.776 0.751 -1.831 1.00 0.40 C ATOM 0 H ILE A 39 -6.408 -0.349 3.080 1.00 0.33 H new ATOM 0 HA ILE A 39 -5.033 -1.984 1.107 1.00 0.28 H new ATOM 0 HB ILE A 39 -5.302 1.019 0.876 1.00 0.32 H new ATOM 0 HG12 ILE A 39 -5.408 -1.239 -1.159 1.00 0.31 H new ATOM 0 HG13 ILE A 39 -6.809 -0.480 -0.429 1.00 0.31 H new ATOM 0 HG21 ILE A 39 -3.402 1.010 -0.685 1.00 0.36 H new ATOM 0 HG22 ILE A 39 -2.910 0.561 0.966 1.00 0.36 H new ATOM 0 HG23 ILE A 39 -3.086 -0.695 -0.283 1.00 0.36 H new ATOM 0 HD11 ILE A 39 -6.392 0.416 -2.666 1.00 0.40 H new ATOM 0 HD12 ILE A 39 -6.178 1.684 -1.435 1.00 0.40 H new ATOM 0 HD13 ILE A 39 -4.755 0.913 -2.176 1.00 0.40 H new ATOM 591 N GLU A 40 -2.988 -1.753 2.541 1.00 0.22 N ATOM 592 CA GLU A 40 -1.862 -1.719 3.477 1.00 0.24 C ATOM 593 C GLU A 40 -0.572 -1.270 2.791 1.00 0.26 C ATOM 594 O GLU A 40 -0.028 -1.974 1.941 1.00 0.54 O ATOM 595 CB GLU A 40 -1.658 -3.094 4.122 1.00 0.28 C ATOM 596 CG GLU A 40 -0.617 -3.097 5.229 1.00 0.62 C ATOM 597 CD GLU A 40 -0.421 -4.470 5.842 1.00 1.31 C ATOM 598 OE1 GLU A 40 -1.294 -4.902 6.623 1.00 1.43 O ATOM 599 OE2 GLU A 40 0.607 -5.112 5.542 1.00 2.21 O ATOM 0 H GLU A 40 -2.936 -2.497 1.845 1.00 0.22 H new ATOM 0 HA GLU A 40 -2.104 -0.991 4.252 1.00 0.24 H new ATOM 0 HB2 GLU A 40 -2.609 -3.441 4.527 1.00 0.28 H new ATOM 0 HB3 GLU A 40 -1.361 -3.807 3.353 1.00 0.28 H new ATOM 0 HG2 GLU A 40 0.333 -2.742 4.830 1.00 0.62 H new ATOM 0 HG3 GLU A 40 -0.918 -2.395 6.007 1.00 0.62 H new ATOM 606 N LEU A 41 -0.086 -0.094 3.178 1.00 0.19 N ATOM 607 CA LEU A 41 1.143 0.466 2.617 1.00 0.22 C ATOM 608 C LEU A 41 2.312 0.242 3.569 1.00 0.21 C ATOM 609 O LEU A 41 2.161 0.362 4.786 1.00 0.29 O ATOM 610 CB LEU A 41 0.970 1.968 2.364 1.00 0.34 C ATOM 611 CG LEU A 41 0.769 2.392 0.904 1.00 0.36 C ATOM 612 CD1 LEU A 41 -0.122 1.409 0.157 1.00 1.06 C ATOM 613 CD2 LEU A 41 0.182 3.794 0.840 1.00 1.30 C ATOM 0 H LEU A 41 -0.528 0.495 3.884 1.00 0.19 H new ATOM 0 HA LEU A 41 1.351 -0.038 1.673 1.00 0.22 H new ATOM 0 HB2 LEU A 41 0.114 2.316 2.942 1.00 0.34 H new ATOM 0 HB3 LEU A 41 1.848 2.484 2.752 1.00 0.34 H new ATOM 0 HG LEU A 41 1.744 2.393 0.417 1.00 0.36 H new ATOM 0 HD11 LEU A 41 -0.244 1.740 -0.875 1.00 1.06 H new ATOM 0 HD12 LEU A 41 0.337 0.420 0.169 1.00 1.06 H new ATOM 0 HD13 LEU A 41 -1.098 1.362 0.641 1.00 1.06 H new ATOM 0 HD21 LEU A 41 0.044 4.083 -0.202 1.00 1.30 H new ATOM 0 HD22 LEU A 41 -0.780 3.809 1.351 1.00 1.30 H new ATOM 0 HD23 LEU A 41 0.861 4.495 1.325 1.00 1.30 H new ATOM 625 N GLY A 42 3.476 -0.082 3.016 1.00 0.21 N ATOM 626 CA GLY A 42 4.643 -0.308 3.848 1.00 0.22 C ATOM 627 C GLY A 42 5.888 -0.615 3.045 1.00 0.20 C ATOM 628 O GLY A 42 5.969 -0.288 1.861 1.00 0.24 O ATOM 0 H GLY A 42 3.632 -0.192 2.014 1.00 0.21 H new ATOM 0 HA2 GLY A 42 4.821 0.575 4.462 1.00 0.22 H new ATOM 0 HA3 GLY A 42 4.443 -1.135 4.529 1.00 0.22 H new ATOM 632 N CYS A 43 6.864 -1.245 3.694 1.00 0.21 N ATOM 633 CA CYS A 43 8.114 -1.597 3.036 1.00 0.21 C ATOM 634 C CYS A 43 8.475 -3.057 3.298 1.00 0.17 C ATOM 635 O CYS A 43 7.913 -3.697 4.188 1.00 0.22 O ATOM 636 CB CYS A 43 9.239 -0.680 3.514 1.00 0.26 C ATOM 637 SG CYS A 43 10.696 -0.658 2.421 1.00 1.25 S ATOM 0 H CYS A 43 6.811 -1.521 4.675 1.00 0.21 H new ATOM 0 HA CYS A 43 7.983 -1.466 1.962 1.00 0.21 H new ATOM 0 HB2 CYS A 43 8.852 0.335 3.606 1.00 0.26 H new ATOM 0 HB3 CYS A 43 9.550 -0.994 4.510 1.00 0.26 H new ATOM 642 N ALA A 44 9.424 -3.572 2.523 1.00 0.19 N ATOM 643 CA ALA A 44 9.861 -4.955 2.644 1.00 0.19 C ATOM 644 C ALA A 44 11.085 -5.218 1.777 1.00 0.18 C ATOM 645 O ALA A 44 11.241 -4.626 0.710 1.00 0.20 O ATOM 646 CB ALA A 44 8.730 -5.892 2.259 1.00 0.23 C ATOM 0 H ALA A 44 9.909 -3.044 1.797 1.00 0.19 H new ATOM 0 HA ALA A 44 10.138 -5.139 3.682 1.00 0.19 H new ATOM 0 HB1 ALA A 44 9.065 -6.925 2.352 1.00 0.23 H new ATOM 0 HB2 ALA A 44 7.879 -5.726 2.920 1.00 0.23 H new ATOM 0 HB3 ALA A 44 8.432 -5.699 1.228 1.00 0.23 H new ATOM 652 N ALA A 45 11.951 -6.106 2.248 1.00 0.19 N ATOM 653 CA ALA A 45 13.161 -6.452 1.518 1.00 0.21 C ATOM 654 C ALA A 45 12.828 -7.001 0.137 1.00 0.20 C ATOM 655 O ALA A 45 13.631 -6.903 -0.791 1.00 0.22 O ATOM 656 CB ALA A 45 13.973 -7.470 2.303 1.00 0.24 C ATOM 0 H ALA A 45 11.837 -6.600 3.133 1.00 0.19 H new ATOM 0 HA ALA A 45 13.752 -5.545 1.391 1.00 0.21 H new ATOM 0 HB1 ALA A 45 14.876 -7.722 1.747 1.00 0.24 H new ATOM 0 HB2 ALA A 45 14.248 -7.049 3.270 1.00 0.24 H new ATOM 0 HB3 ALA A 45 13.378 -8.371 2.455 1.00 0.24 H new ATOM 662 N THR A 46 11.634 -7.571 0.008 1.00 0.19 N ATOM 663 CA THR A 46 11.197 -8.146 -1.258 1.00 0.21 C ATOM 664 C THR A 46 9.679 -8.098 -1.406 1.00 0.20 C ATOM 665 O THR A 46 8.946 -8.112 -0.417 1.00 0.22 O ATOM 666 CB THR A 46 11.656 -9.609 -1.395 1.00 0.24 C ATOM 667 OG1 THR A 46 11.443 -10.307 -0.161 1.00 0.25 O ATOM 668 CG2 THR A 46 13.124 -9.691 -1.786 1.00 0.31 C ATOM 0 H THR A 46 10.953 -7.647 0.764 1.00 0.19 H new ATOM 0 HA THR A 46 11.653 -7.543 -2.043 1.00 0.21 H new ATOM 0 HB THR A 46 11.066 -10.075 -2.184 1.00 0.24 H new ATOM 0 HG1 THR A 46 11.736 -11.237 -0.257 1.00 0.25 H new ATOM 0 HG21 THR A 46 13.419 -10.737 -1.875 1.00 0.31 H new ATOM 0 HG22 THR A 46 13.275 -9.189 -2.742 1.00 0.31 H new ATOM 0 HG23 THR A 46 13.732 -9.206 -1.022 1.00 0.31 H new ATOM 676 N CYS A 47 9.223 -8.036 -2.653 1.00 0.21 N ATOM 677 CA CYS A 47 7.800 -7.998 -2.963 1.00 0.24 C ATOM 678 C CYS A 47 7.057 -9.143 -2.272 1.00 0.25 C ATOM 679 O CYS A 47 7.414 -10.309 -2.446 1.00 0.32 O ATOM 680 CB CYS A 47 7.601 -8.091 -4.477 1.00 0.29 C ATOM 681 SG CYS A 47 5.864 -8.279 -4.993 1.00 0.32 S ATOM 0 H CYS A 47 9.828 -8.011 -3.474 1.00 0.21 H new ATOM 0 HA CYS A 47 7.393 -7.056 -2.596 1.00 0.24 H new ATOM 0 HB2 CYS A 47 8.011 -7.194 -4.942 1.00 0.29 H new ATOM 0 HB3 CYS A 47 8.174 -8.937 -4.856 1.00 0.29 H new ATOM 686 N PRO A 48 6.012 -8.833 -1.479 1.00 0.27 N ATOM 687 CA PRO A 48 5.231 -9.851 -0.775 1.00 0.33 C ATOM 688 C PRO A 48 4.214 -10.525 -1.695 1.00 0.36 C ATOM 689 O PRO A 48 3.915 -10.020 -2.777 1.00 0.36 O ATOM 690 CB PRO A 48 4.530 -9.036 0.307 1.00 0.38 C ATOM 691 CG PRO A 48 4.297 -7.720 -0.337 1.00 0.49 C ATOM 692 CD PRO A 48 5.504 -7.472 -1.201 1.00 0.35 C ATOM 0 HA PRO A 48 5.842 -10.666 -0.389 1.00 0.33 H new ATOM 0 HB2 PRO A 48 3.594 -9.502 0.615 1.00 0.38 H new ATOM 0 HB3 PRO A 48 5.148 -8.941 1.200 1.00 0.38 H new ATOM 0 HG2 PRO A 48 3.384 -7.731 -0.933 1.00 0.49 H new ATOM 0 HG3 PRO A 48 4.181 -6.934 0.409 1.00 0.49 H new ATOM 0 HD2 PRO A 48 5.240 -6.946 -2.119 1.00 0.35 H new ATOM 0 HD3 PRO A 48 6.248 -6.863 -0.687 1.00 0.35 H new ATOM 700 N THR A 49 3.687 -11.666 -1.262 1.00 0.42 N ATOM 701 CA THR A 49 2.713 -12.408 -2.058 1.00 0.49 C ATOM 702 C THR A 49 1.294 -12.225 -1.534 1.00 0.50 C ATOM 703 O THR A 49 1.085 -11.840 -0.383 1.00 0.54 O ATOM 704 CB THR A 49 3.042 -13.911 -2.092 1.00 0.63 C ATOM 705 OG1 THR A 49 3.428 -14.361 -0.788 1.00 0.69 O ATOM 706 CG2 THR A 49 4.155 -14.196 -3.087 1.00 0.68 C ATOM 0 H THR A 49 3.917 -12.097 -0.367 1.00 0.42 H new ATOM 0 HA THR A 49 2.772 -12.002 -3.068 1.00 0.49 H new ATOM 0 HB THR A 49 2.148 -14.450 -2.407 1.00 0.63 H new ATOM 0 HG1 THR A 49 3.634 -15.319 -0.820 1.00 0.69 H new ATOM 0 HG21 THR A 49 4.371 -15.264 -3.095 1.00 0.68 H new ATOM 0 HG22 THR A 49 3.842 -13.882 -4.083 1.00 0.68 H new ATOM 0 HG23 THR A 49 5.051 -13.646 -2.798 1.00 0.68 H new ATOM 714 N VAL A 50 0.323 -12.506 -2.398 1.00 0.54 N ATOM 715 CA VAL A 50 -1.087 -12.383 -2.044 1.00 0.58 C ATOM 716 C VAL A 50 -1.887 -13.574 -2.564 1.00 0.75 C ATOM 717 O VAL A 50 -1.329 -14.484 -3.178 1.00 0.84 O ATOM 718 CB VAL A 50 -1.692 -11.082 -2.605 1.00 0.50 C ATOM 719 CG1 VAL A 50 -1.018 -9.869 -1.990 1.00 0.42 C ATOM 720 CG2 VAL A 50 -1.586 -11.048 -4.121 1.00 0.57 C ATOM 0 H VAL A 50 0.489 -12.822 -3.354 1.00 0.54 H new ATOM 0 HA VAL A 50 -1.144 -12.360 -0.956 1.00 0.58 H new ATOM 0 HB VAL A 50 -2.749 -11.055 -2.339 1.00 0.50 H new ATOM 0 HG11 VAL A 50 -1.460 -8.961 -2.400 1.00 0.42 H new ATOM 0 HG12 VAL A 50 -1.157 -9.885 -0.909 1.00 0.42 H new ATOM 0 HG13 VAL A 50 0.047 -9.890 -2.219 1.00 0.42 H new ATOM 0 HG21 VAL A 50 -2.019 -10.121 -4.495 1.00 0.57 H new ATOM 0 HG22 VAL A 50 -0.537 -11.103 -4.414 1.00 0.57 H new ATOM 0 HG23 VAL A 50 -2.125 -11.896 -4.543 1.00 0.57 H new ATOM 730 N GLU A 51 -3.196 -13.565 -2.317 1.00 0.81 N ATOM 731 CA GLU A 51 -4.061 -14.653 -2.763 1.00 0.98 C ATOM 732 C GLU A 51 -5.039 -14.182 -3.844 1.00 0.93 C ATOM 733 O GLU A 51 -4.705 -13.325 -4.662 1.00 0.92 O ATOM 734 CB GLU A 51 -4.814 -15.251 -1.572 1.00 1.09 C ATOM 735 CG GLU A 51 -5.638 -14.242 -0.794 1.00 0.99 C ATOM 736 CD GLU A 51 -6.269 -14.846 0.445 1.00 1.22 C ATOM 737 OE1 GLU A 51 -7.031 -15.824 0.305 1.00 1.39 O ATOM 738 OE2 GLU A 51 -5.995 -14.344 1.556 1.00 1.31 O ATOM 0 H GLU A 51 -3.678 -12.820 -1.813 1.00 0.81 H new ATOM 0 HA GLU A 51 -3.433 -15.427 -3.205 1.00 0.98 H new ATOM 0 HB2 GLU A 51 -5.472 -16.042 -1.931 1.00 1.09 H new ATOM 0 HB3 GLU A 51 -4.095 -15.716 -0.897 1.00 1.09 H new ATOM 0 HG2 GLU A 51 -5.003 -13.405 -0.504 1.00 0.99 H new ATOM 0 HG3 GLU A 51 -6.420 -13.841 -1.439 1.00 0.99 H new ATOM 745 N SER A 52 -6.247 -14.748 -3.841 1.00 0.98 N ATOM 746 CA SER A 52 -7.259 -14.415 -4.828 1.00 0.97 C ATOM 747 C SER A 52 -7.818 -13.004 -4.641 1.00 0.78 C ATOM 748 O SER A 52 -7.475 -12.091 -5.391 1.00 0.75 O ATOM 749 CB SER A 52 -8.388 -15.439 -4.748 1.00 1.11 C ATOM 750 OG SER A 52 -8.723 -15.723 -3.401 1.00 1.15 O ATOM 0 H SER A 52 -6.544 -15.444 -3.157 1.00 0.98 H new ATOM 0 HA SER A 52 -6.789 -14.441 -5.811 1.00 0.97 H new ATOM 0 HB2 SER A 52 -9.265 -15.060 -5.272 1.00 1.11 H new ATOM 0 HB3 SER A 52 -8.087 -16.357 -5.253 1.00 1.11 H new ATOM 0 HG SER A 52 -9.450 -16.380 -3.376 1.00 1.15 H new ATOM 756 N TYR A 53 -8.679 -12.832 -3.639 1.00 0.73 N ATOM 757 CA TYR A 53 -9.292 -11.532 -3.370 1.00 0.62 C ATOM 758 C TYR A 53 -8.248 -10.507 -2.938 1.00 0.57 C ATOM 759 O TYR A 53 -8.559 -9.331 -2.748 1.00 0.72 O ATOM 760 CB TYR A 53 -10.374 -11.662 -2.296 1.00 0.64 C ATOM 761 CG TYR A 53 -9.865 -12.198 -0.976 1.00 0.69 C ATOM 762 CD1 TYR A 53 -9.346 -11.343 -0.011 1.00 0.66 C ATOM 763 CD2 TYR A 53 -9.907 -13.557 -0.693 1.00 0.93 C ATOM 764 CE1 TYR A 53 -8.881 -11.829 1.197 1.00 0.77 C ATOM 765 CE2 TYR A 53 -9.444 -14.049 0.512 1.00 1.05 C ATOM 766 CZ TYR A 53 -8.933 -13.181 1.453 1.00 0.94 C ATOM 767 OH TYR A 53 -8.473 -13.669 2.655 1.00 1.10 O ATOM 0 H TYR A 53 -8.967 -13.574 -3.002 1.00 0.73 H new ATOM 0 HA TYR A 53 -9.750 -11.183 -4.296 1.00 0.62 H new ATOM 0 HB2 TYR A 53 -10.827 -10.684 -2.130 1.00 0.64 H new ATOM 0 HB3 TYR A 53 -11.161 -12.319 -2.665 1.00 0.64 H new ATOM 0 HD1 TYR A 53 -9.305 -10.282 -0.208 1.00 0.66 H new ATOM 0 HD2 TYR A 53 -10.308 -14.240 -1.427 1.00 0.93 H new ATOM 0 HE1 TYR A 53 -8.479 -11.152 1.936 1.00 0.77 H new ATOM 0 HE2 TYR A 53 -9.482 -15.109 0.716 1.00 1.05 H new ATOM 0 HH TYR A 53 -7.556 -13.996 2.546 1.00 1.10 H new ATOM 777 N GLN A 54 -7.013 -10.963 -2.785 1.00 0.61 N ATOM 778 CA GLN A 54 -5.918 -10.098 -2.378 1.00 0.70 C ATOM 779 C GLN A 54 -5.080 -9.665 -3.579 1.00 0.66 C ATOM 780 O GLN A 54 -4.938 -10.409 -4.551 1.00 0.81 O ATOM 781 CB GLN A 54 -5.042 -10.851 -1.385 1.00 0.85 C ATOM 782 CG GLN A 54 -4.461 -9.981 -0.290 1.00 0.89 C ATOM 783 CD GLN A 54 -4.657 -10.596 1.082 1.00 1.62 C ATOM 784 OE1 GLN A 54 -5.715 -11.389 1.224 1.00 2.37 O flip ATOM 785 NE2 GLN A 54 -3.867 -10.368 1.999 1.00 1.90 N flip ATOM 0 H GLN A 54 -6.744 -11.935 -2.938 1.00 0.61 H new ATOM 0 HA GLN A 54 -6.330 -9.201 -1.916 1.00 0.70 H new ATOM 0 HB2 GLN A 54 -5.630 -11.647 -0.928 1.00 0.85 H new ATOM 0 HB3 GLN A 54 -4.226 -11.329 -1.926 1.00 0.85 H new ATOM 0 HG2 GLN A 54 -3.397 -9.830 -0.472 1.00 0.89 H new ATOM 0 HG3 GLN A 54 -4.932 -8.998 -0.318 1.00 0.89 H new ATOM 0 HE21 GLN A 54 -3.069 -9.752 1.843 1.00 1.90 H new ATOM 0 HE22 GLN A 54 -4.011 -10.795 2.914 1.00 1.90 H new ATOM 794 N ASP A 55 -4.529 -8.456 -3.503 1.00 0.50 N ATOM 795 CA ASP A 55 -3.700 -7.921 -4.581 1.00 0.46 C ATOM 796 C ASP A 55 -2.566 -7.082 -4.008 1.00 0.40 C ATOM 797 O ASP A 55 -2.696 -6.519 -2.923 1.00 0.38 O ATOM 798 CB ASP A 55 -4.542 -7.070 -5.532 1.00 0.49 C ATOM 799 CG ASP A 55 -3.873 -6.876 -6.879 1.00 0.70 C ATOM 800 OD1 ASP A 55 -3.001 -5.989 -6.987 1.00 0.84 O ATOM 801 OD2 ASP A 55 -4.222 -7.611 -7.827 1.00 0.90 O ATOM 0 H ASP A 55 -4.641 -7.828 -2.707 1.00 0.50 H new ATOM 0 HA ASP A 55 -3.278 -8.759 -5.137 1.00 0.46 H new ATOM 0 HB2 ASP A 55 -5.513 -7.544 -5.676 1.00 0.49 H new ATOM 0 HB3 ASP A 55 -4.727 -6.097 -5.077 1.00 0.49 H new ATOM 806 N ILE A 56 -1.448 -7.008 -4.725 1.00 0.38 N ATOM 807 CA ILE A 56 -0.314 -6.225 -4.250 1.00 0.34 C ATOM 808 C ILE A 56 0.549 -5.679 -5.387 1.00 0.33 C ATOM 809 O ILE A 56 0.790 -6.355 -6.388 1.00 0.36 O ATOM 810 CB ILE A 56 0.576 -7.043 -3.294 1.00 0.37 C ATOM 811 CG1 ILE A 56 1.683 -6.165 -2.712 1.00 0.62 C ATOM 812 CG2 ILE A 56 1.174 -8.244 -4.008 1.00 0.49 C ATOM 813 CD1 ILE A 56 1.604 -6.020 -1.213 1.00 0.55 C ATOM 0 H ILE A 56 -1.305 -7.472 -5.622 1.00 0.38 H new ATOM 0 HA ILE A 56 -0.747 -5.380 -3.715 1.00 0.34 H new ATOM 0 HB ILE A 56 -0.047 -7.406 -2.477 1.00 0.37 H new ATOM 0 HG12 ILE A 56 2.651 -6.589 -2.978 1.00 0.62 H new ATOM 0 HG13 ILE A 56 1.631 -5.177 -3.169 1.00 0.62 H new ATOM 0 HG21 ILE A 56 1.798 -8.806 -3.314 1.00 0.49 H new ATOM 0 HG22 ILE A 56 0.373 -8.885 -4.376 1.00 0.49 H new ATOM 0 HG23 ILE A 56 1.781 -7.904 -4.847 1.00 0.49 H new ATOM 0 HD11 ILE A 56 2.419 -5.385 -0.865 1.00 0.55 H new ATOM 0 HD12 ILE A 56 0.650 -5.568 -0.941 1.00 0.55 H new ATOM 0 HD13 ILE A 56 1.686 -7.002 -0.748 1.00 0.55 H new ATOM 825 N LYS A 57 1.006 -4.441 -5.211 1.00 0.34 N ATOM 826 CA LYS A 57 1.866 -3.777 -6.166 1.00 0.36 C ATOM 827 C LYS A 57 3.229 -3.528 -5.516 1.00 0.33 C ATOM 828 O LYS A 57 3.314 -2.845 -4.494 1.00 0.53 O ATOM 829 CB LYS A 57 1.213 -2.461 -6.591 1.00 0.40 C ATOM 830 CG LYS A 57 2.194 -1.318 -6.761 1.00 1.32 C ATOM 831 CD LYS A 57 1.552 -0.117 -7.439 1.00 1.62 C ATOM 832 CE LYS A 57 0.491 0.527 -6.558 1.00 2.06 C ATOM 833 NZ LYS A 57 -0.132 1.709 -7.215 1.00 2.48 N ATOM 0 H LYS A 57 0.784 -3.873 -4.393 1.00 0.34 H new ATOM 0 HA LYS A 57 2.010 -4.396 -7.052 1.00 0.36 H new ATOM 0 HB2 LYS A 57 0.684 -2.616 -7.531 1.00 0.40 H new ATOM 0 HB3 LYS A 57 0.467 -2.180 -5.848 1.00 0.40 H new ATOM 0 HG2 LYS A 57 2.579 -1.022 -5.785 1.00 1.32 H new ATOM 0 HG3 LYS A 57 3.046 -1.655 -7.351 1.00 1.32 H new ATOM 0 HD2 LYS A 57 2.320 0.618 -7.680 1.00 1.62 H new ATOM 0 HD3 LYS A 57 1.102 -0.429 -8.382 1.00 1.62 H new ATOM 0 HE2 LYS A 57 -0.280 -0.207 -6.323 1.00 2.06 H new ATOM 0 HE3 LYS A 57 0.940 0.832 -5.613 1.00 2.06 H new ATOM 0 HZ1 LYS A 57 -0.849 2.119 -6.583 1.00 2.48 H new ATOM 0 HZ2 LYS A 57 0.600 2.420 -7.416 1.00 2.48 H new ATOM 0 HZ3 LYS A 57 -0.582 1.414 -8.105 1.00 2.48 H new ATOM 847 N CYS A 58 4.289 -4.080 -6.097 1.00 0.23 N ATOM 848 CA CYS A 58 5.624 -3.916 -5.527 1.00 0.21 C ATOM 849 C CYS A 58 6.552 -3.129 -6.443 1.00 0.17 C ATOM 850 O CYS A 58 6.730 -3.463 -7.615 1.00 0.29 O ATOM 851 CB CYS A 58 6.235 -5.280 -5.205 1.00 0.31 C ATOM 852 SG CYS A 58 5.036 -6.484 -4.550 1.00 1.04 S ATOM 0 H CYS A 58 4.253 -4.638 -6.950 1.00 0.23 H new ATOM 0 HA CYS A 58 5.512 -3.342 -4.607 1.00 0.21 H new ATOM 0 HB2 CYS A 58 6.689 -5.687 -6.109 1.00 0.31 H new ATOM 0 HB3 CYS A 58 7.036 -5.147 -4.478 1.00 0.31 H new ATOM 857 N CYS A 59 7.137 -2.078 -5.881 1.00 0.20 N ATOM 858 CA CYS A 59 8.070 -1.223 -6.601 1.00 0.22 C ATOM 859 C CYS A 59 9.150 -0.732 -5.648 1.00 0.18 C ATOM 860 O CYS A 59 9.014 -0.857 -4.432 1.00 0.30 O ATOM 861 CB CYS A 59 7.349 -0.032 -7.227 1.00 0.38 C ATOM 862 SG CYS A 59 6.306 -0.452 -8.662 1.00 0.68 S ATOM 0 H CYS A 59 6.977 -1.795 -4.914 1.00 0.20 H new ATOM 0 HA CYS A 59 8.525 -1.805 -7.403 1.00 0.22 H new ATOM 0 HB2 CYS A 59 6.727 0.441 -6.467 1.00 0.38 H new ATOM 0 HB3 CYS A 59 8.091 0.705 -7.536 1.00 0.38 H new ATOM 867 N SER A 60 10.216 -0.169 -6.197 1.00 0.20 N ATOM 868 CA SER A 60 11.319 0.321 -5.379 1.00 0.21 C ATOM 869 C SER A 60 11.350 1.847 -5.343 1.00 0.16 C ATOM 870 O SER A 60 12.416 2.459 -5.425 1.00 0.22 O ATOM 871 CB SER A 60 12.646 -0.226 -5.905 1.00 0.31 C ATOM 872 OG SER A 60 12.861 0.158 -7.252 1.00 1.22 O ATOM 0 H SER A 60 10.342 -0.040 -7.201 1.00 0.20 H new ATOM 0 HA SER A 60 11.166 -0.033 -4.359 1.00 0.21 H new ATOM 0 HB2 SER A 60 13.464 0.140 -5.285 1.00 0.31 H new ATOM 0 HB3 SER A 60 12.650 -1.313 -5.829 1.00 0.31 H new ATOM 0 HG SER A 60 13.717 -0.204 -7.563 1.00 1.22 H new ATOM 878 N THR A 61 10.173 2.453 -5.212 1.00 0.17 N ATOM 879 CA THR A 61 10.059 3.906 -5.156 1.00 0.18 C ATOM 880 C THR A 61 8.641 4.335 -4.790 1.00 0.15 C ATOM 881 O THR A 61 7.668 3.723 -5.230 1.00 0.15 O ATOM 882 CB THR A 61 10.451 4.558 -6.495 1.00 0.24 C ATOM 883 OG1 THR A 61 10.252 5.975 -6.427 1.00 1.25 O ATOM 884 CG2 THR A 61 9.632 3.980 -7.640 1.00 1.07 C ATOM 0 H THR A 61 9.284 1.959 -5.143 1.00 0.17 H new ATOM 0 HA THR A 61 10.749 4.244 -4.383 1.00 0.18 H new ATOM 0 HB THR A 61 11.504 4.348 -6.681 1.00 0.24 H new ATOM 0 HG1 THR A 61 10.505 6.382 -7.282 1.00 1.25 H new ATOM 0 HG21 THR A 61 9.927 4.456 -8.575 1.00 1.07 H new ATOM 0 HG22 THR A 61 9.809 2.907 -7.708 1.00 1.07 H new ATOM 0 HG23 THR A 61 8.573 4.163 -7.458 1.00 1.07 H new ATOM 892 N ASP A 62 8.533 5.380 -3.974 1.00 0.17 N ATOM 893 CA ASP A 62 7.237 5.899 -3.557 1.00 0.18 C ATOM 894 C ASP A 62 6.373 6.250 -4.766 1.00 0.17 C ATOM 895 O ASP A 62 5.148 6.181 -4.704 1.00 0.18 O ATOM 896 CB ASP A 62 7.418 7.131 -2.671 1.00 0.23 C ATOM 897 CG ASP A 62 8.191 8.235 -3.367 1.00 0.25 C ATOM 898 OD1 ASP A 62 7.568 9.013 -4.119 1.00 0.28 O ATOM 899 OD2 ASP A 62 9.420 8.323 -3.157 1.00 0.29 O ATOM 0 H ASP A 62 9.331 5.884 -3.588 1.00 0.17 H new ATOM 0 HA ASP A 62 6.731 5.120 -2.986 1.00 0.18 H new ATOM 0 HB2 ASP A 62 6.440 7.508 -2.373 1.00 0.23 H new ATOM 0 HB3 ASP A 62 7.941 6.845 -1.758 1.00 0.23 H new ATOM 904 N ASP A 63 7.020 6.621 -5.868 1.00 0.22 N ATOM 905 CA ASP A 63 6.319 6.982 -7.085 1.00 0.27 C ATOM 906 C ASP A 63 5.415 5.846 -7.556 1.00 0.25 C ATOM 907 O ASP A 63 4.539 6.045 -8.399 1.00 0.32 O ATOM 908 CB ASP A 63 7.336 7.327 -8.165 1.00 0.36 C ATOM 909 CG ASP A 63 8.138 8.570 -7.833 1.00 1.08 C ATOM 910 OD1 ASP A 63 9.154 8.448 -7.118 1.00 1.76 O ATOM 911 OD2 ASP A 63 7.748 9.667 -8.286 1.00 1.39 O ATOM 0 H ASP A 63 8.036 6.678 -5.937 1.00 0.22 H new ATOM 0 HA ASP A 63 5.688 7.848 -6.884 1.00 0.27 H new ATOM 0 HB2 ASP A 63 8.016 6.486 -8.301 1.00 0.36 H new ATOM 0 HB3 ASP A 63 6.818 7.475 -9.113 1.00 0.36 H new ATOM 916 N CYS A 64 5.636 4.657 -7.005 1.00 0.25 N ATOM 917 CA CYS A 64 4.849 3.486 -7.364 1.00 0.28 C ATOM 918 C CYS A 64 4.266 2.813 -6.120 1.00 0.25 C ATOM 919 O CYS A 64 3.725 1.710 -6.196 1.00 0.31 O ATOM 920 CB CYS A 64 5.720 2.498 -8.143 1.00 0.32 C ATOM 921 SG CYS A 64 4.856 0.975 -8.658 1.00 0.41 S ATOM 0 H CYS A 64 6.357 4.480 -6.305 1.00 0.25 H new ATOM 0 HA CYS A 64 4.018 3.807 -7.992 1.00 0.28 H new ATOM 0 HB2 CYS A 64 6.110 2.997 -9.030 1.00 0.32 H new ATOM 0 HB3 CYS A 64 6.577 2.225 -7.528 1.00 0.32 H new ATOM 926 N ASN A 65 4.367 3.484 -4.972 1.00 0.24 N ATOM 927 CA ASN A 65 3.836 2.927 -3.729 1.00 0.24 C ATOM 928 C ASN A 65 2.997 3.942 -2.940 1.00 0.25 C ATOM 929 O ASN A 65 3.235 4.139 -1.747 1.00 0.35 O ATOM 930 CB ASN A 65 4.975 2.417 -2.847 1.00 0.25 C ATOM 931 CG ASN A 65 4.525 1.306 -1.917 1.00 0.67 C ATOM 932 OD1 ASN A 65 4.625 0.128 -2.255 1.00 1.59 O ATOM 933 ND2 ASN A 65 4.020 1.672 -0.741 1.00 0.46 N ATOM 0 H ASN A 65 4.805 4.400 -4.877 1.00 0.24 H new ATOM 0 HA ASN A 65 3.181 2.102 -4.010 1.00 0.24 H new ATOM 0 HB2 ASN A 65 5.787 2.054 -3.478 1.00 0.25 H new ATOM 0 HB3 ASN A 65 5.374 3.243 -2.258 1.00 0.25 H new ATOM 0 HD21 ASN A 65 3.698 0.964 -0.081 1.00 0.46 H new ATOM 0 HD22 ASN A 65 3.955 2.661 -0.499 1.00 0.46 H new ATOM 940 N PRO A 66 2.014 4.611 -3.591 1.00 0.25 N ATOM 941 CA PRO A 66 1.125 5.564 -2.955 1.00 0.29 C ATOM 942 C PRO A 66 -0.205 4.908 -2.588 1.00 0.31 C ATOM 943 O PRO A 66 -0.261 3.703 -2.345 1.00 0.64 O ATOM 944 CB PRO A 66 0.926 6.614 -4.064 1.00 0.34 C ATOM 945 CG PRO A 66 1.384 5.978 -5.330 1.00 0.46 C ATOM 946 CD PRO A 66 1.684 4.545 -5.007 1.00 0.30 C ATOM 0 HA PRO A 66 1.517 5.974 -2.024 1.00 0.29 H new ATOM 0 HB2 PRO A 66 -0.120 6.911 -4.135 1.00 0.34 H new ATOM 0 HB3 PRO A 66 1.500 7.516 -3.853 1.00 0.34 H new ATOM 0 HG2 PRO A 66 0.615 6.049 -6.099 1.00 0.46 H new ATOM 0 HG3 PRO A 66 2.270 6.481 -5.718 1.00 0.46 H new ATOM 0 HD2 PRO A 66 0.828 3.897 -5.196 1.00 0.30 H new ATOM 0 HD3 PRO A 66 2.513 4.159 -5.601 1.00 0.30 H new ATOM 954 N HIS A 67 -1.272 5.697 -2.553 1.00 0.26 N ATOM 955 CA HIS A 67 -2.593 5.175 -2.231 1.00 0.30 C ATOM 956 C HIS A 67 -3.505 5.224 -3.457 1.00 0.39 C ATOM 957 O HIS A 67 -3.888 6.307 -3.903 1.00 0.56 O ATOM 958 CB HIS A 67 -3.216 5.970 -1.086 1.00 0.39 C ATOM 959 CG HIS A 67 -4.014 5.124 -0.146 1.00 0.44 C ATOM 960 ND1 HIS A 67 -5.378 5.247 0.009 1.00 0.59 N ATOM 961 CD2 HIS A 67 -3.630 4.135 0.695 1.00 0.46 C ATOM 962 CE1 HIS A 67 -5.799 4.371 0.904 1.00 0.64 C ATOM 963 NE2 HIS A 67 -4.757 3.684 1.334 1.00 0.56 N ATOM 0 H HIS A 67 -1.248 6.699 -2.743 1.00 0.26 H new ATOM 0 HA HIS A 67 -2.482 4.136 -1.920 1.00 0.30 H new ATOM 0 HB2 HIS A 67 -2.425 6.473 -0.529 1.00 0.39 H new ATOM 0 HB3 HIS A 67 -3.859 6.747 -1.500 1.00 0.39 H new ATOM 0 HD1 HIS A 67 -5.970 5.911 -0.490 1.00 0.59 H new ATOM 0 HD2 HIS A 67 -2.624 3.769 0.836 1.00 0.46 H new ATOM 0 HE1 HIS A 67 -6.821 4.240 1.228 1.00 0.64 H new ATOM 972 N PRO A 68 -3.863 4.055 -4.025 1.00 0.43 N ATOM 973 CA PRO A 68 -4.733 3.977 -5.204 1.00 0.57 C ATOM 974 C PRO A 68 -5.995 4.822 -5.054 1.00 0.75 C ATOM 975 O PRO A 68 -6.337 5.606 -5.940 1.00 0.94 O ATOM 976 CB PRO A 68 -5.081 2.490 -5.267 1.00 0.71 C ATOM 977 CG PRO A 68 -3.882 1.824 -4.700 1.00 0.86 C ATOM 978 CD PRO A 68 -3.456 2.709 -3.566 1.00 0.53 C ATOM 0 HA PRO A 68 -4.250 4.360 -6.103 1.00 0.57 H new ATOM 0 HB2 PRO A 68 -5.976 2.263 -4.688 1.00 0.71 H new ATOM 0 HB3 PRO A 68 -5.273 2.167 -6.290 1.00 0.71 H new ATOM 0 HG2 PRO A 68 -4.115 0.818 -4.351 1.00 0.86 H new ATOM 0 HG3 PRO A 68 -3.093 1.728 -5.445 1.00 0.86 H new ATOM 0 HD2 PRO A 68 -3.948 2.435 -2.633 1.00 0.53 H new ATOM 0 HD3 PRO A 68 -2.382 2.650 -3.389 1.00 0.53 H new ATOM 986 N LYS A 69 -6.683 4.657 -3.928 1.00 0.84 N ATOM 987 CA LYS A 69 -7.902 5.409 -3.662 1.00 1.10 C ATOM 988 C LYS A 69 -7.570 6.787 -3.098 1.00 1.38 C ATOM 989 O LYS A 69 -7.623 7.005 -1.887 1.00 2.19 O ATOM 990 CB LYS A 69 -8.797 4.641 -2.685 1.00 1.36 C ATOM 991 CG LYS A 69 -10.157 5.285 -2.466 1.00 1.66 C ATOM 992 CD LYS A 69 -11.021 4.452 -1.534 1.00 2.44 C ATOM 993 CE LYS A 69 -12.410 5.052 -1.379 1.00 2.83 C ATOM 994 NZ LYS A 69 -13.122 5.152 -2.683 1.00 3.36 N ATOM 0 H LYS A 69 -6.416 4.009 -3.186 1.00 0.84 H new ATOM 0 HA LYS A 69 -8.438 5.539 -4.602 1.00 1.10 H new ATOM 0 HB2 LYS A 69 -8.941 3.627 -3.058 1.00 1.36 H new ATOM 0 HB3 LYS A 69 -8.286 4.558 -1.726 1.00 1.36 H new ATOM 0 HG2 LYS A 69 -10.026 6.283 -2.048 1.00 1.66 H new ATOM 0 HG3 LYS A 69 -10.663 5.405 -3.424 1.00 1.66 H new ATOM 0 HD2 LYS A 69 -11.103 3.437 -1.922 1.00 2.44 H new ATOM 0 HD3 LYS A 69 -10.542 4.382 -0.557 1.00 2.44 H new ATOM 0 HE2 LYS A 69 -12.995 4.440 -0.692 1.00 2.83 H new ATOM 0 HE3 LYS A 69 -12.329 6.043 -0.933 1.00 2.83 H new ATOM 0 HZ1 LYS A 69 -14.105 4.833 -2.567 1.00 3.36 H new ATOM 0 HZ2 LYS A 69 -13.114 6.140 -3.008 1.00 3.36 H new ATOM 0 HZ3 LYS A 69 -12.644 4.553 -3.386 1.00 3.36 H new ATOM 1008 N GLN A 70 -7.218 7.714 -3.985 1.00 1.57 N ATOM 1009 CA GLN A 70 -6.870 9.070 -3.579 1.00 2.17 C ATOM 1010 C GLN A 70 -8.101 9.971 -3.554 1.00 2.55 C ATOM 1011 O GLN A 70 -8.954 9.898 -4.439 1.00 3.19 O ATOM 1012 CB GLN A 70 -5.820 9.649 -4.528 1.00 2.94 C ATOM 1013 CG GLN A 70 -6.269 9.692 -5.981 1.00 3.68 C ATOM 1014 CD GLN A 70 -5.217 10.280 -6.901 1.00 4.63 C ATOM 1015 OE1 GLN A 70 -4.376 9.561 -7.441 1.00 5.09 O ATOM 1016 NE2 GLN A 70 -5.259 11.594 -7.084 1.00 5.32 N ATOM 0 H GLN A 70 -7.167 7.549 -4.990 1.00 1.57 H new ATOM 0 HA GLN A 70 -6.460 9.026 -2.570 1.00 2.17 H new ATOM 0 HB2 GLN A 70 -5.568 10.659 -4.205 1.00 2.94 H new ATOM 0 HB3 GLN A 70 -4.910 9.054 -4.455 1.00 2.94 H new ATOM 0 HG2 GLN A 70 -6.512 8.682 -6.312 1.00 3.68 H new ATOM 0 HG3 GLN A 70 -7.183 10.281 -6.057 1.00 3.68 H new ATOM 0 HE21 GLN A 70 -5.974 12.151 -6.616 1.00 5.32 H new ATOM 0 HE22 GLN A 70 -4.577 12.046 -7.692 1.00 5.32 H new ATOM 1025 N LYS A 71 -8.186 10.817 -2.533 1.00 2.93 N ATOM 1026 CA LYS A 71 -9.307 11.735 -2.389 1.00 3.85 C ATOM 1027 C LYS A 71 -8.833 13.097 -1.891 1.00 4.58 C ATOM 1028 O LYS A 71 -7.734 13.220 -1.348 1.00 4.73 O ATOM 1029 CB LYS A 71 -10.337 11.155 -1.422 1.00 4.52 C ATOM 1030 CG LYS A 71 -9.773 10.847 -0.045 1.00 4.94 C ATOM 1031 CD LYS A 71 -10.739 10.011 0.776 1.00 5.74 C ATOM 1032 CE LYS A 71 -10.205 9.754 2.176 1.00 6.70 C ATOM 1033 NZ LYS A 71 -11.094 8.847 2.952 1.00 7.04 N ATOM 0 H LYS A 71 -7.489 10.885 -1.791 1.00 2.93 H new ATOM 0 HA LYS A 71 -9.769 11.869 -3.367 1.00 3.85 H new ATOM 0 HB2 LYS A 71 -11.162 11.859 -1.318 1.00 4.52 H new ATOM 0 HB3 LYS A 71 -10.750 10.241 -1.849 1.00 4.52 H new ATOM 0 HG2 LYS A 71 -8.827 10.316 -0.148 1.00 4.94 H new ATOM 0 HG3 LYS A 71 -9.560 11.779 0.479 1.00 4.94 H new ATOM 0 HD2 LYS A 71 -11.700 10.522 0.840 1.00 5.74 H new ATOM 0 HD3 LYS A 71 -10.917 9.060 0.273 1.00 5.74 H new ATOM 0 HE2 LYS A 71 -9.209 9.316 2.110 1.00 6.70 H new ATOM 0 HE3 LYS A 71 -10.102 10.702 2.705 1.00 6.70 H new ATOM 0 HZ1 LYS A 71 -10.694 8.697 3.900 1.00 7.04 H new ATOM 0 HZ2 LYS A 71 -12.038 9.276 3.038 1.00 7.04 H new ATOM 0 HZ3 LYS A 71 -11.172 7.934 2.461 1.00 7.04 H new ATOM 1047 N ARG A 72 -9.665 14.117 -2.079 1.00 5.45 N ATOM 1048 CA ARG A 72 -9.333 15.467 -1.650 1.00 6.44 C ATOM 1049 C ARG A 72 -10.287 15.935 -0.547 1.00 7.13 C ATOM 1050 O ARG A 72 -11.490 16.061 -0.776 1.00 7.26 O ATOM 1051 CB ARG A 72 -9.388 16.418 -2.850 1.00 7.19 C ATOM 1052 CG ARG A 72 -9.659 17.864 -2.474 1.00 7.48 C ATOM 1053 CD ARG A 72 -9.676 18.764 -3.698 1.00 8.35 C ATOM 1054 NE ARG A 72 -10.694 18.355 -4.662 1.00 8.63 N ATOM 1055 CZ ARG A 72 -10.769 18.831 -5.902 1.00 9.54 C ATOM 1056 NH1 ARG A 72 -9.888 19.725 -6.329 1.00 10.19 N ATOM 1057 NH2 ARG A 72 -11.726 18.411 -6.718 1.00 9.98 N ATOM 0 H ARG A 72 -10.577 14.031 -2.528 1.00 5.45 H new ATOM 0 HA ARG A 72 -8.322 15.469 -1.242 1.00 6.44 H new ATOM 0 HB2 ARG A 72 -8.442 16.364 -3.389 1.00 7.19 H new ATOM 0 HB3 ARG A 72 -10.165 16.079 -3.535 1.00 7.19 H new ATOM 0 HG2 ARG A 72 -10.616 17.933 -1.957 1.00 7.48 H new ATOM 0 HG3 ARG A 72 -8.895 18.209 -1.778 1.00 7.48 H new ATOM 0 HD2 ARG A 72 -9.861 19.793 -3.389 1.00 8.35 H new ATOM 0 HD3 ARG A 72 -8.696 18.746 -4.175 1.00 8.35 H new ATOM 0 HE ARG A 72 -11.386 17.666 -4.368 1.00 8.63 H new ATOM 0 HH11 ARG A 72 -9.149 20.051 -5.706 1.00 10.19 H new ATOM 0 HH12 ARG A 72 -9.949 20.087 -7.281 1.00 10.19 H new ATOM 0 HH21 ARG A 72 -12.406 17.722 -6.395 1.00 9.98 H new ATOM 0 HH22 ARG A 72 -11.783 18.777 -7.669 1.00 9.98 H new ATOM 1071 N PRO A 73 -9.766 16.196 0.671 1.00 7.88 N ATOM 1072 CA PRO A 73 -10.590 16.650 1.798 1.00 8.80 C ATOM 1073 C PRO A 73 -11.125 18.064 1.590 1.00 9.54 C ATOM 1074 O PRO A 73 -10.424 19.025 1.970 1.00 9.91 O ATOM 1075 CB PRO A 73 -9.625 16.612 2.987 1.00 9.55 C ATOM 1076 CG PRO A 73 -8.273 16.754 2.382 1.00 9.27 C ATOM 1077 CD PRO A 73 -8.344 16.070 1.046 1.00 8.18 C ATOM 1078 OXT PRO A 73 -12.243 18.198 1.048 1.00 9.93 O ATOM 0 HA PRO A 73 -11.474 16.027 1.932 1.00 8.80 H new ATOM 0 HB2 PRO A 73 -9.831 17.419 3.690 1.00 9.55 H new ATOM 0 HB3 PRO A 73 -9.715 15.677 3.540 1.00 9.55 H new ATOM 0 HG2 PRO A 73 -8.004 17.804 2.269 1.00 9.27 H new ATOM 0 HG3 PRO A 73 -7.512 16.297 3.015 1.00 9.27 H new ATOM 0 HD2 PRO A 73 -7.692 16.548 0.315 1.00 8.18 H new ATOM 0 HD3 PRO A 73 -8.037 15.026 1.112 1.00 8.18 H new TER 1086 PRO A 73