USER MOD reduce.3.24.130724 H: found=0, std=0, add=958, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 961 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: B 206 ASN : amide:sc= -0.0311 X(o=1.1,f=0.72) USER MOD Set 1.2: B 207 SER OG : rot 0:sc= 1.11 USER MOD Set 2.1: A 55 THR OG1 : rot 171:sc= 0.915 USER MOD Set 2.2: A 62 GLN : amide:sc= -1.87 K(o=2.2,f=-10!) USER MOD Set 2.3: A 95 LYS NZ :NH3+ -156:sc= 3.16 (180deg=-0.308!) USER MOD Set 3.1: A 3 LYS NZ :NH3+ -117:sc= 0.781 (180deg=0.106) USER MOD Set 3.2: A 9 GLN : amide:sc= 0.237 K(o=-0.49,f=-3.7) USER MOD Set 3.3: A 85 ASN : amide:sc= -1.51! C(o=-0.49!,f=-7.6!) USER MOD Set 4.1: A 69 LYS NZ :NH3+ 172:sc= 0.371 (180deg=0.313) USER MOD Set 4.2: A 76 THR OG1 : rot -160:sc= -0.703 USER MOD Set 5.1: A 39 ASN : amide:sc= -0.605! C(o=0.65!,f=-4.4!) USER MOD Set 5.2: A 40 SER OG : rot 75:sc= 1.25 USER MOD Set 6.1: A 26 ASN : amide:sc= -0.112 K(o=-0.096,f=-1.4) USER MOD Set 6.2: B 208 HIS : no HE2:sc= 0.0165 K(o=-0.096,f=-1.4!) USER MOD Set 7.1: A 10 THR OG1 : rot 84:sc= 1.05 USER MOD Set 7.2: A 19 SER OG : rot -60:sc= 0.175! USER MOD Set 8.1: A 4 THR OG1 : rot 180:sc= -0.177 USER MOD Set 8.2: A 84 GLN : amide:sc= 1.1 K(o=2.4,f=-7.3!) USER MOD Set 8.3: A 87 CYS SG : rot 48:sc= 1.5 USER MOD Single : A 1 MET CE :methyl -162:sc= -0.0568 (180deg=-0.422) USER MOD Single : A 1 MET N :NH3+ 174:sc= -0.18 (180deg=-0.19) USER MOD Single : A 7 MET CE :methyl -148:sc= 0 (180deg=-0.0798) USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot -140:sc= 0.138 USER MOD Single : A 23 THR OG1 : rot 49:sc= 0.0667 USER MOD Single : A 24 HIS : +bothHN:sc= 1.83 K(o=1.8,f=-9.8!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 179:sc= 0.156 USER MOD Single : A 34 THR OG1 : rot 77:sc= 0.0443 USER MOD Single : A 36 GLN : amide:sc= -0.0195 X(o=-0.019,f=-0.41) USER MOD Single : A 37 GLN : amide:sc= -0.0163 K(o=-0.016,f=-0.76) USER MOD Single : A 45 GLN :FLIP amide:sc= -0.0213 F(o=-1.2!,f=-0.021) USER MOD Single : A 49 GLN :FLIP amide:sc= -0.538 F(o=-1.1,f=-0.54) USER MOD Single : A 63 LYS NZ :NH3+ 165:sc=-0.00792 (180deg=-0.137) USER MOD Single : A 67 LYS NZ :NH3+ 158:sc= 2.24 (180deg=1.75) USER MOD Single : A 70 SER OG : rot 180:sc=-0.00269 USER MOD Single : A 72 LYS NZ :NH3+ -146:sc= 1.33 (180deg=1.05) USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot -20:sc= 1.02 USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 180:sc= 0.165 USER MOD Single : A 97 ASN :FLIP amide:sc= -0.0168 F(o=-0.85,f=-0.017) USER MOD Single : B 186 TYR OH : rot 180:sc= 0 USER MOD Single : B 187 HIS : no HE2:sc= 0.932 K(o=0.93,f=-6.4!) USER MOD Single : B 192 TYR OH : rot 180:sc= -0.01 USER MOD Single : B 196 ASN : amide:sc= 0.0933 K(o=0.093,f=-4.6!) USER MOD Single : B 199 LYS NZ :NH3+ -172:sc=-0.00116 (180deg=-0.107) USER MOD Single : B 201 LYS NZ :NH3+ -168:sc= -0.0046 (180deg=-0.121) USER MOD Single : B 204 MET CE :methyl 140:sc= -0.156 (180deg=-1.01) USER MOD Single : B 205 THR OG1 : rot 180:sc= -0.671 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.504 -13.198 -10.359 1.00 1.79 N ATOM 2 CA MET A 1 -4.694 -11.731 -10.393 1.00 1.50 C ATOM 3 C MET A 1 -6.178 -11.367 -10.321 1.00 1.45 C ATOM 4 O MET A 1 -6.534 -10.188 -10.331 1.00 2.06 O ATOM 5 CB MET A 1 -4.068 -11.132 -11.663 1.00 1.78 C ATOM 6 CG MET A 1 -4.848 -11.427 -12.936 1.00 2.07 C ATOM 7 SD MET A 1 -4.103 -10.686 -14.406 1.00 2.89 S ATOM 8 CE MET A 1 -4.333 -8.943 -14.066 1.00 2.97 C ATOM 0 H1 MET A 1 -3.500 -13.422 -10.511 1.00 1.79 H new ATOM 0 H2 MET A 1 -4.804 -13.566 -9.434 1.00 1.79 H new ATOM 0 H3 MET A 1 -5.074 -13.639 -11.108 1.00 1.79 H new ATOM 0 HA MET A 1 -4.193 -11.311 -9.521 1.00 1.50 H new ATOM 0 HB2 MET A 1 -3.987 -10.052 -11.541 1.00 1.78 H new ATOM 0 HB3 MET A 1 -3.054 -11.517 -11.773 1.00 1.78 H new ATOM 0 HG2 MET A 1 -4.914 -12.506 -13.073 1.00 2.07 H new ATOM 0 HG3 MET A 1 -5.867 -11.057 -12.826 1.00 2.07 H new ATOM 0 HE1 MET A 1 -4.226 -8.375 -14.990 1.00 2.97 H new ATOM 0 HE2 MET A 1 -5.329 -8.781 -13.654 1.00 2.97 H new ATOM 0 HE3 MET A 1 -3.584 -8.611 -13.347 1.00 2.97 H new ATOM 20 N ALA A 2 -7.042 -12.376 -10.237 1.00 1.41 N ATOM 21 CA ALA A 2 -8.481 -12.145 -10.167 1.00 1.47 C ATOM 22 C ALA A 2 -8.919 -11.794 -8.747 1.00 1.31 C ATOM 23 O ALA A 2 -9.793 -12.447 -8.169 1.00 1.40 O ATOM 24 CB ALA A 2 -9.228 -13.368 -10.674 1.00 1.83 C ATOM 0 H ALA A 2 -6.771 -13.359 -10.216 1.00 1.41 H new ATOM 0 HA ALA A 2 -8.722 -11.294 -10.804 1.00 1.47 H new ATOM 0 HB1 ALA A 2 -10.302 -13.188 -10.618 1.00 1.83 H new ATOM 0 HB2 ALA A 2 -8.946 -13.564 -11.709 1.00 1.83 H new ATOM 0 HB3 ALA A 2 -8.973 -14.231 -10.059 1.00 1.83 H new ATOM 30 N LYS A 3 -8.306 -10.757 -8.194 1.00 1.21 N ATOM 31 CA LYS A 3 -8.624 -10.308 -6.850 1.00 1.10 C ATOM 32 C LYS A 3 -9.892 -9.464 -6.866 1.00 1.05 C ATOM 33 O LYS A 3 -9.842 -8.234 -6.941 1.00 1.21 O ATOM 34 CB LYS A 3 -7.456 -9.517 -6.248 1.00 1.11 C ATOM 35 CG LYS A 3 -7.693 -9.079 -4.810 1.00 1.22 C ATOM 36 CD LYS A 3 -6.417 -8.597 -4.147 1.00 1.18 C ATOM 37 CE LYS A 3 -6.696 -7.963 -2.793 1.00 1.23 C ATOM 38 NZ LYS A 3 -7.264 -8.931 -1.817 1.00 1.47 N ATOM 0 H LYS A 3 -7.582 -10.210 -8.660 1.00 1.21 H new ATOM 0 HA LYS A 3 -8.795 -11.184 -6.224 1.00 1.10 H new ATOM 0 HB2 LYS A 3 -6.555 -10.129 -6.289 1.00 1.11 H new ATOM 0 HB3 LYS A 3 -7.271 -8.635 -6.862 1.00 1.11 H new ATOM 0 HG2 LYS A 3 -8.435 -8.281 -4.791 1.00 1.22 H new ATOM 0 HG3 LYS A 3 -8.106 -9.912 -4.240 1.00 1.22 H new ATOM 0 HD2 LYS A 3 -5.731 -9.435 -4.023 1.00 1.18 H new ATOM 0 HD3 LYS A 3 -5.921 -7.873 -4.793 1.00 1.18 H new ATOM 0 HE2 LYS A 3 -5.771 -7.548 -2.392 1.00 1.23 H new ATOM 0 HE3 LYS A 3 -7.389 -7.132 -2.921 1.00 1.23 H new ATOM 0 HZ1 LYS A 3 -8.221 -8.628 -1.545 1.00 1.47 H new ATOM 0 HZ2 LYS A 3 -7.310 -9.875 -2.251 1.00 1.47 H new ATOM 0 HZ3 LYS A 3 -6.659 -8.967 -0.972 1.00 1.47 H new ATOM 52 N THR A 4 -11.031 -10.133 -6.846 1.00 1.06 N ATOM 53 CA THR A 4 -12.314 -9.456 -6.848 1.00 1.06 C ATOM 54 C THR A 4 -13.375 -10.307 -6.156 1.00 1.13 C ATOM 55 O THR A 4 -13.861 -9.961 -5.079 1.00 1.27 O ATOM 56 CB THR A 4 -12.782 -9.132 -8.284 1.00 1.12 C ATOM 57 OG1 THR A 4 -11.700 -8.580 -9.045 1.00 1.22 O ATOM 58 CG2 THR A 4 -13.942 -8.151 -8.269 1.00 1.23 C ATOM 0 H THR A 4 -11.093 -11.151 -6.828 1.00 1.06 H new ATOM 0 HA THR A 4 -12.183 -8.521 -6.303 1.00 1.06 H new ATOM 0 HB THR A 4 -13.115 -10.061 -8.746 1.00 1.12 H new ATOM 0 HG1 THR A 4 -12.008 -8.380 -9.954 1.00 1.22 H new ATOM 0 HG21 THR A 4 -14.253 -7.939 -9.292 1.00 1.23 H new ATOM 0 HG22 THR A 4 -14.777 -8.584 -7.718 1.00 1.23 H new ATOM 0 HG23 THR A 4 -13.629 -7.225 -7.786 1.00 1.23 H new ATOM 66 N GLU A 5 -13.694 -11.441 -6.765 1.00 1.20 N ATOM 67 CA GLU A 5 -14.706 -12.343 -6.232 1.00 1.33 C ATOM 68 C GLU A 5 -14.124 -13.271 -5.174 1.00 1.31 C ATOM 69 O GLU A 5 -14.181 -14.492 -5.299 1.00 1.58 O ATOM 70 CB GLU A 5 -15.330 -13.159 -7.364 1.00 1.56 C ATOM 71 CG GLU A 5 -16.004 -12.303 -8.419 1.00 1.73 C ATOM 72 CD GLU A 5 -16.923 -11.261 -7.816 1.00 1.94 C ATOM 73 OE1 GLU A 5 -17.707 -11.607 -6.908 1.00 2.37 O ATOM 74 OE2 GLU A 5 -16.872 -10.094 -8.253 1.00 2.15 O ATOM 0 H GLU A 5 -13.264 -11.759 -7.633 1.00 1.20 H new ATOM 0 HA GLU A 5 -15.478 -11.738 -5.757 1.00 1.33 H new ATOM 0 HB2 GLU A 5 -14.556 -13.763 -7.837 1.00 1.56 H new ATOM 0 HB3 GLU A 5 -16.062 -13.850 -6.944 1.00 1.56 H new ATOM 0 HG2 GLU A 5 -15.243 -11.807 -9.022 1.00 1.73 H new ATOM 0 HG3 GLU A 5 -16.576 -12.943 -9.091 1.00 1.73 H new ATOM 81 N GLU A 6 -13.555 -12.688 -4.137 1.00 1.20 N ATOM 82 CA GLU A 6 -12.976 -13.466 -3.053 1.00 1.19 C ATOM 83 C GLU A 6 -13.640 -13.071 -1.739 1.00 1.14 C ATOM 84 O GLU A 6 -14.322 -13.880 -1.113 1.00 1.26 O ATOM 85 CB GLU A 6 -11.461 -13.255 -2.983 1.00 1.16 C ATOM 86 CG GLU A 6 -10.768 -13.345 -4.337 1.00 1.41 C ATOM 87 CD GLU A 6 -9.269 -13.123 -4.251 1.00 1.47 C ATOM 88 OE1 GLU A 6 -8.845 -12.006 -3.893 1.00 1.83 O ATOM 89 OE2 GLU A 6 -8.506 -14.059 -4.548 1.00 1.64 O ATOM 0 H GLU A 6 -13.480 -11.678 -4.020 1.00 1.20 H new ATOM 0 HA GLU A 6 -13.153 -14.526 -3.238 1.00 1.19 H new ATOM 0 HB2 GLU A 6 -11.259 -12.277 -2.545 1.00 1.16 H new ATOM 0 HB3 GLU A 6 -11.030 -13.999 -2.314 1.00 1.16 H new ATOM 0 HG2 GLU A 6 -10.960 -14.325 -4.773 1.00 1.41 H new ATOM 0 HG3 GLU A 6 -11.201 -12.606 -5.011 1.00 1.41 H new ATOM 96 N MET A 7 -13.436 -11.813 -1.345 1.00 1.05 N ATOM 97 CA MET A 7 -14.023 -11.254 -0.123 1.00 1.09 C ATOM 98 C MET A 7 -13.693 -12.099 1.113 1.00 1.12 C ATOM 99 O MET A 7 -14.537 -12.305 1.985 1.00 1.32 O ATOM 100 CB MET A 7 -15.543 -11.116 -0.291 1.00 1.22 C ATOM 101 CG MET A 7 -16.179 -10.084 0.631 1.00 1.44 C ATOM 102 SD MET A 7 -17.888 -9.708 0.189 1.00 1.75 S ATOM 103 CE MET A 7 -17.645 -8.640 -1.233 1.00 2.16 C ATOM 0 H MET A 7 -12.859 -11.151 -1.864 1.00 1.05 H new ATOM 0 HA MET A 7 -13.585 -10.269 0.037 1.00 1.09 H new ATOM 0 HB2 MET A 7 -15.761 -10.847 -1.325 1.00 1.22 H new ATOM 0 HB3 MET A 7 -16.007 -12.085 -0.109 1.00 1.22 H new ATOM 0 HG2 MET A 7 -16.146 -10.451 1.657 1.00 1.44 H new ATOM 0 HG3 MET A 7 -15.591 -9.167 0.602 1.00 1.44 H new ATOM 0 HE1 MET A 7 -18.448 -7.904 -1.277 1.00 2.16 H new ATOM 0 HE2 MET A 7 -16.687 -8.127 -1.143 1.00 2.16 H new ATOM 0 HE3 MET A 7 -17.652 -9.239 -2.143 1.00 2.16 H new ATOM 113 N VAL A 8 -12.457 -12.582 1.190 1.00 1.13 N ATOM 114 CA VAL A 8 -12.033 -13.385 2.327 1.00 1.22 C ATOM 115 C VAL A 8 -10.671 -12.922 2.840 1.00 1.14 C ATOM 116 O VAL A 8 -9.731 -13.705 2.944 1.00 1.34 O ATOM 117 CB VAL A 8 -11.990 -14.898 1.999 1.00 1.45 C ATOM 118 CG1 VAL A 8 -13.358 -15.528 2.215 1.00 1.70 C ATOM 119 CG2 VAL A 8 -11.514 -15.144 0.574 1.00 1.49 C ATOM 0 H VAL A 8 -11.737 -12.432 0.483 1.00 1.13 H new ATOM 0 HA VAL A 8 -12.779 -13.240 3.108 1.00 1.22 H new ATOM 0 HB VAL A 8 -11.275 -15.365 2.677 1.00 1.45 H new ATOM 0 HG11 VAL A 8 -13.310 -16.591 1.980 1.00 1.70 H new ATOM 0 HG12 VAL A 8 -13.658 -15.399 3.255 1.00 1.70 H new ATOM 0 HG13 VAL A 8 -14.088 -15.045 1.565 1.00 1.70 H new ATOM 0 HG21 VAL A 8 -11.495 -16.216 0.377 1.00 1.49 H new ATOM 0 HG22 VAL A 8 -12.194 -14.658 -0.126 1.00 1.49 H new ATOM 0 HG23 VAL A 8 -10.511 -14.735 0.450 1.00 1.49 H new ATOM 129 N GLN A 9 -10.575 -11.637 3.144 1.00 0.97 N ATOM 130 CA GLN A 9 -9.343 -11.050 3.657 1.00 0.93 C ATOM 131 C GLN A 9 -9.491 -10.730 5.149 1.00 0.91 C ATOM 132 O GLN A 9 -10.231 -11.414 5.859 1.00 0.98 O ATOM 133 CB GLN A 9 -9.005 -9.786 2.864 1.00 0.89 C ATOM 134 CG GLN A 9 -8.689 -10.050 1.402 1.00 1.00 C ATOM 135 CD GLN A 9 -7.269 -10.528 1.192 1.00 1.20 C ATOM 136 OE1 GLN A 9 -6.375 -9.739 0.886 1.00 1.49 O ATOM 137 NE2 GLN A 9 -7.052 -11.820 1.356 1.00 1.43 N ATOM 0 H GLN A 9 -11.343 -10.973 3.044 1.00 0.97 H new ATOM 0 HA GLN A 9 -8.528 -11.765 3.541 1.00 0.93 H new ATOM 0 HB2 GLN A 9 -9.844 -9.093 2.926 1.00 0.89 H new ATOM 0 HB3 GLN A 9 -8.150 -9.294 3.328 1.00 0.89 H new ATOM 0 HG2 GLN A 9 -9.381 -10.797 1.013 1.00 1.00 H new ATOM 0 HG3 GLN A 9 -8.850 -9.137 0.828 1.00 1.00 H new ATOM 0 HE21 GLN A 9 -7.822 -12.438 1.610 1.00 1.43 H new ATOM 0 HE22 GLN A 9 -6.114 -12.200 1.229 1.00 1.43 H new ATOM 146 N THR A 10 -8.795 -9.697 5.619 1.00 0.91 N ATOM 147 CA THR A 10 -8.868 -9.297 7.020 1.00 0.91 C ATOM 148 C THR A 10 -10.267 -8.786 7.354 1.00 0.88 C ATOM 149 O THR A 10 -10.841 -7.974 6.622 1.00 0.82 O ATOM 150 CB THR A 10 -7.828 -8.205 7.341 1.00 0.89 C ATOM 151 OG1 THR A 10 -6.582 -8.518 6.701 1.00 0.98 O ATOM 152 CG2 THR A 10 -7.613 -8.079 8.841 1.00 0.96 C ATOM 0 H THR A 10 -8.174 -9.122 5.049 1.00 0.91 H new ATOM 0 HA THR A 10 -8.649 -10.174 7.629 1.00 0.91 H new ATOM 0 HB THR A 10 -8.206 -7.254 6.966 1.00 0.89 H new ATOM 0 HG1 THR A 10 -6.599 -8.195 5.776 1.00 0.98 H new ATOM 0 HG21 THR A 10 -6.875 -7.302 9.039 1.00 0.96 H new ATOM 0 HG22 THR A 10 -8.555 -7.816 9.323 1.00 0.96 H new ATOM 0 HG23 THR A 10 -7.255 -9.029 9.238 1.00 0.96 H new ATOM 160 N GLU A 11 -10.812 -9.263 8.464 1.00 0.99 N ATOM 161 CA GLU A 11 -12.149 -8.880 8.881 1.00 1.04 C ATOM 162 C GLU A 11 -12.103 -7.735 9.890 1.00 1.02 C ATOM 163 O GLU A 11 -11.120 -7.566 10.612 1.00 1.03 O ATOM 164 CB GLU A 11 -12.867 -10.086 9.483 1.00 1.19 C ATOM 165 CG GLU A 11 -14.379 -10.028 9.354 1.00 1.29 C ATOM 166 CD GLU A 11 -15.051 -11.266 9.900 1.00 1.51 C ATOM 167 OE1 GLU A 11 -15.260 -11.339 11.128 1.00 1.89 O ATOM 168 OE2 GLU A 11 -15.367 -12.177 9.101 1.00 1.58 O ATOM 0 H GLU A 11 -10.346 -9.918 9.092 1.00 0.99 H new ATOM 0 HA GLU A 11 -12.698 -8.534 8.005 1.00 1.04 H new ATOM 0 HB2 GLU A 11 -12.505 -10.992 8.997 1.00 1.19 H new ATOM 0 HB3 GLU A 11 -12.605 -10.164 10.538 1.00 1.19 H new ATOM 0 HG2 GLU A 11 -14.753 -9.152 9.883 1.00 1.29 H new ATOM 0 HG3 GLU A 11 -14.647 -9.905 8.305 1.00 1.29 H new ATOM 175 N GLU A 12 -13.176 -6.957 9.933 1.00 1.07 N ATOM 176 CA GLU A 12 -13.287 -5.831 10.848 1.00 1.10 C ATOM 177 C GLU A 12 -14.733 -5.719 11.335 1.00 1.22 C ATOM 178 O GLU A 12 -15.487 -6.691 11.263 1.00 1.54 O ATOM 179 CB GLU A 12 -12.848 -4.536 10.155 1.00 1.07 C ATOM 180 CG GLU A 12 -11.830 -3.727 10.948 1.00 1.18 C ATOM 181 CD GLU A 12 -12.443 -3.000 12.126 1.00 1.74 C ATOM 182 OE1 GLU A 12 -13.495 -2.351 11.943 1.00 2.22 O ATOM 183 OE2 GLU A 12 -11.886 -3.086 13.240 1.00 2.23 O ATOM 0 H GLU A 12 -13.992 -7.089 9.336 1.00 1.07 H new ATOM 0 HA GLU A 12 -12.633 -5.993 11.705 1.00 1.10 H new ATOM 0 HB2 GLU A 12 -12.423 -4.782 9.182 1.00 1.07 H new ATOM 0 HB3 GLU A 12 -13.727 -3.917 9.972 1.00 1.07 H new ATOM 0 HG2 GLU A 12 -11.045 -4.392 11.307 1.00 1.18 H new ATOM 0 HG3 GLU A 12 -11.356 -3.002 10.287 1.00 1.18 H new ATOM 190 N MET A 13 -15.119 -4.545 11.821 1.00 1.20 N ATOM 191 CA MET A 13 -16.475 -4.328 12.314 1.00 1.31 C ATOM 192 C MET A 13 -17.402 -3.925 11.171 1.00 1.28 C ATOM 193 O MET A 13 -18.618 -4.088 11.253 1.00 1.46 O ATOM 194 CB MET A 13 -16.474 -3.259 13.406 1.00 1.40 C ATOM 195 CG MET A 13 -15.688 -3.663 14.643 1.00 1.63 C ATOM 196 SD MET A 13 -15.512 -2.315 15.826 1.00 1.83 S ATOM 197 CE MET A 13 -14.778 -3.187 17.208 1.00 2.25 C ATOM 0 H MET A 13 -14.512 -3.728 11.884 1.00 1.20 H new ATOM 0 HA MET A 13 -16.844 -5.261 12.740 1.00 1.31 H new ATOM 0 HB2 MET A 13 -16.054 -2.338 13.002 1.00 1.40 H new ATOM 0 HB3 MET A 13 -17.503 -3.042 13.693 1.00 1.40 H new ATOM 0 HG2 MET A 13 -16.186 -4.503 15.127 1.00 1.63 H new ATOM 0 HG3 MET A 13 -14.699 -4.009 14.343 1.00 1.63 H new ATOM 0 HE1 MET A 13 -14.605 -2.490 18.028 1.00 2.25 H new ATOM 0 HE2 MET A 13 -15.452 -3.977 17.540 1.00 2.25 H new ATOM 0 HE3 MET A 13 -13.829 -3.626 16.899 1.00 2.25 H new ATOM 207 N GLU A 14 -16.818 -3.384 10.112 1.00 1.19 N ATOM 208 CA GLU A 14 -17.582 -2.980 8.942 1.00 1.18 C ATOM 209 C GLU A 14 -17.012 -3.639 7.693 1.00 1.09 C ATOM 210 O GLU A 14 -17.750 -4.198 6.885 1.00 1.18 O ATOM 211 CB GLU A 14 -17.575 -1.462 8.776 1.00 1.19 C ATOM 212 CG GLU A 14 -18.423 -0.990 7.605 1.00 1.29 C ATOM 213 CD GLU A 14 -18.343 0.501 7.379 1.00 1.54 C ATOM 214 OE1 GLU A 14 -18.459 1.257 8.363 1.00 2.13 O ATOM 215 OE2 GLU A 14 -18.154 0.927 6.221 1.00 2.02 O ATOM 0 H GLU A 14 -15.815 -3.215 10.039 1.00 1.19 H new ATOM 0 HA GLU A 14 -18.613 -3.303 9.084 1.00 1.18 H new ATOM 0 HB2 GLU A 14 -17.941 -1.000 9.693 1.00 1.19 H new ATOM 0 HB3 GLU A 14 -16.549 -1.122 8.635 1.00 1.19 H new ATOM 0 HG2 GLU A 14 -18.102 -1.506 6.700 1.00 1.29 H new ATOM 0 HG3 GLU A 14 -19.462 -1.270 7.780 1.00 1.29 H new ATOM 222 N THR A 15 -15.698 -3.559 7.545 1.00 0.98 N ATOM 223 CA THR A 15 -15.015 -4.146 6.409 1.00 0.90 C ATOM 224 C THR A 15 -15.280 -5.651 6.349 1.00 0.94 C ATOM 225 O THR A 15 -14.877 -6.398 7.247 1.00 0.98 O ATOM 226 CB THR A 15 -13.505 -3.883 6.510 1.00 0.84 C ATOM 227 OG1 THR A 15 -13.261 -2.866 7.496 1.00 0.83 O ATOM 228 CG2 THR A 15 -12.952 -3.435 5.169 1.00 0.91 C ATOM 0 H THR A 15 -15.081 -3.088 8.206 1.00 0.98 H new ATOM 0 HA THR A 15 -15.396 -3.687 5.497 1.00 0.90 H new ATOM 0 HB THR A 15 -13.006 -4.807 6.802 1.00 0.84 H new ATOM 0 HG1 THR A 15 -12.554 -2.266 7.179 1.00 0.83 H new ATOM 0 HG21 THR A 15 -11.881 -3.253 5.259 1.00 0.91 H new ATOM 0 HG22 THR A 15 -13.127 -4.213 4.425 1.00 0.91 H new ATOM 0 HG23 THR A 15 -13.451 -2.517 4.858 1.00 0.91 H new ATOM 236 N PRO A 16 -15.961 -6.119 5.289 1.00 0.97 N ATOM 237 CA PRO A 16 -16.298 -7.526 5.128 1.00 1.04 C ATOM 238 C PRO A 16 -15.145 -8.330 4.545 1.00 0.96 C ATOM 239 O PRO A 16 -15.223 -8.815 3.416 1.00 0.96 O ATOM 240 CB PRO A 16 -17.490 -7.512 4.165 1.00 1.12 C ATOM 241 CG PRO A 16 -17.536 -6.144 3.549 1.00 1.07 C ATOM 242 CD PRO A 16 -16.429 -5.319 4.152 1.00 0.98 C ATOM 0 HA PRO A 16 -16.522 -8.000 6.083 1.00 1.04 H new ATOM 0 HB2 PRO A 16 -17.376 -8.278 3.398 1.00 1.12 H new ATOM 0 HB3 PRO A 16 -18.417 -7.728 4.695 1.00 1.12 H new ATOM 0 HG2 PRO A 16 -17.415 -6.210 2.468 1.00 1.07 H new ATOM 0 HG3 PRO A 16 -18.503 -5.676 3.734 1.00 1.07 H new ATOM 0 HD2 PRO A 16 -15.628 -5.141 3.434 1.00 0.98 H new ATOM 0 HD3 PRO A 16 -16.791 -4.343 4.474 1.00 0.98 H new ATOM 250 N ARG A 17 -14.080 -8.463 5.331 1.00 0.95 N ATOM 251 CA ARG A 17 -12.896 -9.203 4.913 1.00 0.92 C ATOM 252 C ARG A 17 -12.315 -8.583 3.644 1.00 0.82 C ATOM 253 O ARG A 17 -12.237 -9.226 2.593 1.00 0.83 O ATOM 254 CB ARG A 17 -13.232 -10.682 4.705 1.00 1.01 C ATOM 255 CG ARG A 17 -13.712 -11.382 5.967 1.00 1.13 C ATOM 256 CD ARG A 17 -13.953 -12.861 5.726 1.00 1.19 C ATOM 257 NE ARG A 17 -14.185 -13.590 6.972 1.00 1.38 N ATOM 258 CZ ARG A 17 -13.920 -14.887 7.136 1.00 1.67 C ATOM 259 NH1 ARG A 17 -13.447 -15.608 6.123 1.00 1.84 N ATOM 260 NH2 ARG A 17 -14.135 -15.462 8.311 1.00 1.94 N ATOM 0 H ARG A 17 -14.014 -8.064 6.267 1.00 0.95 H new ATOM 0 HA ARG A 17 -12.143 -9.142 5.699 1.00 0.92 H new ATOM 0 HB2 ARG A 17 -14.002 -10.766 3.938 1.00 1.01 H new ATOM 0 HB3 ARG A 17 -12.348 -11.197 4.328 1.00 1.01 H new ATOM 0 HG2 ARG A 17 -12.972 -11.257 6.757 1.00 1.13 H new ATOM 0 HG3 ARG A 17 -14.633 -10.914 6.316 1.00 1.13 H new ATOM 0 HD2 ARG A 17 -14.813 -12.985 5.068 1.00 1.19 H new ATOM 0 HD3 ARG A 17 -13.093 -13.289 5.211 1.00 1.19 H new ATOM 0 HE ARG A 17 -14.573 -13.076 7.763 1.00 1.38 H new ATOM 0 HH11 ARG A 17 -13.286 -15.169 5.216 1.00 1.84 H new ATOM 0 HH12 ARG A 17 -13.246 -16.599 6.253 1.00 1.84 H new ATOM 0 HH21 ARG A 17 -14.503 -14.913 9.088 1.00 1.94 H new ATOM 0 HH22 ARG A 17 -13.933 -16.454 8.438 1.00 1.94 H new ATOM 274 N LEU A 18 -11.899 -7.330 3.762 1.00 0.75 N ATOM 275 CA LEU A 18 -11.355 -6.585 2.639 1.00 0.67 C ATOM 276 C LEU A 18 -9.964 -6.038 2.960 1.00 0.63 C ATOM 277 O LEU A 18 -9.807 -5.207 3.856 1.00 0.66 O ATOM 278 CB LEU A 18 -12.296 -5.426 2.300 1.00 0.65 C ATOM 279 CG LEU A 18 -13.069 -5.542 0.986 1.00 0.64 C ATOM 280 CD1 LEU A 18 -14.008 -6.741 1.013 1.00 0.78 C ATOM 281 CD2 LEU A 18 -13.850 -4.263 0.718 1.00 0.66 C ATOM 0 H LEU A 18 -11.929 -6.804 4.636 1.00 0.75 H new ATOM 0 HA LEU A 18 -11.266 -7.259 1.787 1.00 0.67 H new ATOM 0 HB2 LEU A 18 -13.016 -5.321 3.112 1.00 0.65 H new ATOM 0 HB3 LEU A 18 -11.710 -4.507 2.272 1.00 0.65 H new ATOM 0 HG LEU A 18 -12.351 -5.690 0.179 1.00 0.64 H new ATOM 0 HD11 LEU A 18 -14.547 -6.803 0.067 1.00 0.78 H new ATOM 0 HD12 LEU A 18 -13.430 -7.653 1.161 1.00 0.78 H new ATOM 0 HD13 LEU A 18 -14.721 -6.627 1.830 1.00 0.78 H new ATOM 0 HD21 LEU A 18 -14.396 -4.360 -0.221 1.00 0.66 H new ATOM 0 HD22 LEU A 18 -14.555 -4.090 1.531 1.00 0.66 H new ATOM 0 HD23 LEU A 18 -13.159 -3.422 0.651 1.00 0.66 H new ATOM 293 N SER A 19 -8.965 -6.503 2.221 1.00 0.63 N ATOM 294 CA SER A 19 -7.591 -6.052 2.413 1.00 0.64 C ATOM 295 C SER A 19 -6.936 -5.785 1.066 1.00 0.61 C ATOM 296 O SER A 19 -7.211 -6.478 0.081 1.00 0.70 O ATOM 297 CB SER A 19 -6.785 -7.088 3.195 1.00 0.77 C ATOM 298 OG SER A 19 -7.503 -7.528 4.332 1.00 1.44 O ATOM 0 H SER A 19 -9.080 -7.195 1.480 1.00 0.63 H new ATOM 0 HA SER A 19 -7.609 -5.127 2.989 1.00 0.64 H new ATOM 0 HB2 SER A 19 -6.556 -7.938 2.552 1.00 0.77 H new ATOM 0 HB3 SER A 19 -5.833 -6.657 3.505 1.00 0.77 H new ATOM 0 HG SER A 19 -7.687 -6.765 4.918 1.00 1.44 H new ATOM 304 N VAL A 20 -6.071 -4.790 1.030 1.00 0.55 N ATOM 305 CA VAL A 20 -5.393 -4.405 -0.193 1.00 0.56 C ATOM 306 C VAL A 20 -3.941 -4.876 -0.200 1.00 0.67 C ATOM 307 O VAL A 20 -3.327 -5.070 0.856 1.00 0.73 O ATOM 308 CB VAL A 20 -5.442 -2.870 -0.372 1.00 0.49 C ATOM 309 CG1 VAL A 20 -4.500 -2.180 0.605 1.00 0.55 C ATOM 310 CG2 VAL A 20 -5.122 -2.471 -1.802 1.00 0.53 C ATOM 0 H VAL A 20 -5.819 -4.228 1.843 1.00 0.55 H new ATOM 0 HA VAL A 20 -5.912 -4.886 -1.023 1.00 0.56 H new ATOM 0 HB VAL A 20 -6.459 -2.543 -0.155 1.00 0.49 H new ATOM 0 HG11 VAL A 20 -4.552 -1.101 0.460 1.00 0.55 H new ATOM 0 HG12 VAL A 20 -4.793 -2.423 1.626 1.00 0.55 H new ATOM 0 HG13 VAL A 20 -3.480 -2.521 0.429 1.00 0.55 H new ATOM 0 HG21 VAL A 20 -5.165 -1.386 -1.895 1.00 0.53 H new ATOM 0 HG22 VAL A 20 -4.122 -2.818 -2.062 1.00 0.53 H new ATOM 0 HG23 VAL A 20 -5.849 -2.922 -2.477 1.00 0.53 H new ATOM 320 N ILE A 21 -3.408 -5.073 -1.396 1.00 0.73 N ATOM 321 CA ILE A 21 -2.027 -5.487 -1.561 1.00 0.86 C ATOM 322 C ILE A 21 -1.170 -4.267 -1.871 1.00 0.87 C ATOM 323 O ILE A 21 -1.181 -3.757 -2.993 1.00 0.88 O ATOM 324 CB ILE A 21 -1.864 -6.525 -2.697 1.00 0.96 C ATOM 325 CG1 ILE A 21 -2.716 -7.764 -2.415 1.00 0.98 C ATOM 326 CG2 ILE A 21 -0.397 -6.913 -2.856 1.00 1.11 C ATOM 327 CD1 ILE A 21 -2.716 -8.773 -3.545 1.00 1.10 C ATOM 0 H ILE A 21 -3.917 -4.951 -2.271 1.00 0.73 H new ATOM 0 HA ILE A 21 -1.707 -5.956 -0.631 1.00 0.86 H new ATOM 0 HB ILE A 21 -2.206 -6.075 -3.629 1.00 0.96 H new ATOM 0 HG12 ILE A 21 -2.351 -8.247 -1.509 1.00 0.98 H new ATOM 0 HG13 ILE A 21 -3.742 -7.452 -2.218 1.00 0.98 H new ATOM 0 HG21 ILE A 21 -0.299 -7.644 -3.659 1.00 1.11 H new ATOM 0 HG22 ILE A 21 0.190 -6.027 -3.098 1.00 1.11 H new ATOM 0 HG23 ILE A 21 -0.032 -7.346 -1.925 1.00 1.11 H new ATOM 0 HD11 ILE A 21 -3.341 -9.624 -3.273 1.00 1.10 H new ATOM 0 HD12 ILE A 21 -3.110 -8.307 -4.448 1.00 1.10 H new ATOM 0 HD13 ILE A 21 -1.697 -9.115 -3.728 1.00 1.10 H new ATOM 339 N VAL A 22 -0.461 -3.780 -0.865 1.00 0.89 N ATOM 340 CA VAL A 22 0.397 -2.618 -1.037 1.00 0.93 C ATOM 341 C VAL A 22 1.775 -3.066 -1.500 1.00 1.07 C ATOM 342 O VAL A 22 2.548 -3.624 -0.720 1.00 1.15 O ATOM 343 CB VAL A 22 0.538 -1.803 0.266 1.00 0.92 C ATOM 344 CG1 VAL A 22 1.095 -0.418 -0.028 1.00 0.97 C ATOM 345 CG2 VAL A 22 -0.796 -1.707 0.995 1.00 0.80 C ATOM 0 H VAL A 22 -0.462 -4.170 0.077 1.00 0.89 H new ATOM 0 HA VAL A 22 -0.066 -1.975 -1.785 1.00 0.93 H new ATOM 0 HB VAL A 22 1.240 -2.323 0.918 1.00 0.92 H new ATOM 0 HG11 VAL A 22 1.187 0.142 0.903 1.00 0.97 H new ATOM 0 HG12 VAL A 22 2.076 -0.512 -0.494 1.00 0.97 H new ATOM 0 HG13 VAL A 22 0.421 0.109 -0.703 1.00 0.97 H new ATOM 0 HG21 VAL A 22 -0.670 -1.128 1.910 1.00 0.80 H new ATOM 0 HG22 VAL A 22 -1.527 -1.216 0.353 1.00 0.80 H new ATOM 0 HG23 VAL A 22 -1.147 -2.708 1.245 1.00 0.80 H new ATOM 355 N THR A 23 2.078 -2.826 -2.764 1.00 1.12 N ATOM 356 CA THR A 23 3.355 -3.233 -3.322 1.00 1.26 C ATOM 357 C THR A 23 4.259 -2.039 -3.622 1.00 1.32 C ATOM 358 O THR A 23 3.806 -0.984 -4.078 1.00 1.28 O ATOM 359 CB THR A 23 3.162 -4.084 -4.597 1.00 1.33 C ATOM 360 OG1 THR A 23 4.428 -4.390 -5.190 1.00 1.89 O ATOM 361 CG2 THR A 23 2.286 -3.362 -5.610 1.00 1.63 C ATOM 0 H THR A 23 1.459 -2.352 -3.422 1.00 1.12 H new ATOM 0 HA THR A 23 3.846 -3.842 -2.563 1.00 1.26 H new ATOM 0 HB THR A 23 2.667 -5.010 -4.306 1.00 1.33 H new ATOM 0 HG1 THR A 23 5.039 -4.726 -4.502 1.00 1.89 H new ATOM 0 HG21 THR A 23 2.167 -3.984 -6.497 1.00 1.63 H new ATOM 0 HG22 THR A 23 1.308 -3.166 -5.171 1.00 1.63 H new ATOM 0 HG23 THR A 23 2.754 -2.418 -5.889 1.00 1.63 H new ATOM 369 N HIS A 24 5.541 -2.218 -3.337 1.00 1.45 N ATOM 370 CA HIS A 24 6.550 -1.198 -3.577 1.00 1.54 C ATOM 371 C HIS A 24 7.787 -1.856 -4.174 1.00 1.61 C ATOM 372 O HIS A 24 8.680 -2.285 -3.445 1.00 1.63 O ATOM 373 CB HIS A 24 6.914 -0.464 -2.276 1.00 1.58 C ATOM 374 CG HIS A 24 8.009 0.557 -2.434 1.00 1.68 C ATOM 375 ND1 HIS A 24 9.225 0.461 -1.795 1.00 1.78 N ATOM 376 CD2 HIS A 24 8.062 1.700 -3.160 1.00 1.75 C ATOM 377 CE1 HIS A 24 9.974 1.498 -2.113 1.00 1.88 C ATOM 378 NE2 HIS A 24 9.296 2.264 -2.944 1.00 1.86 N ATOM 0 H HIS A 24 5.911 -3.078 -2.932 1.00 1.45 H new ATOM 0 HA HIS A 24 6.150 -0.461 -4.273 1.00 1.54 H new ATOM 0 HB2 HIS A 24 6.023 0.031 -1.889 1.00 1.58 H new ATOM 0 HB3 HIS A 24 7.220 -1.198 -1.531 1.00 1.58 H new ATOM 0 HD1 HIS A 24 9.503 -0.296 -1.171 1.00 1.78 H new ATOM 0 HD2 HIS A 24 7.279 2.094 -3.791 1.00 1.75 H new ATOM 0 HE1 HIS A 24 10.974 1.688 -1.753 1.00 1.88 H new ATOM 0 HE2 HIS A 24 9.632 3.133 -3.359 1.00 1.86 H new ATOM 387 N SER A 25 7.792 -1.975 -5.500 1.00 1.68 N ATOM 388 CA SER A 25 8.897 -2.583 -6.244 1.00 1.77 C ATOM 389 C SER A 25 8.972 -4.094 -5.991 1.00 1.80 C ATOM 390 O SER A 25 8.697 -4.891 -6.889 1.00 1.90 O ATOM 391 CB SER A 25 10.225 -1.891 -5.905 1.00 1.78 C ATOM 392 OG SER A 25 10.132 -0.486 -6.108 1.00 1.90 O ATOM 0 H SER A 25 7.027 -1.652 -6.093 1.00 1.68 H new ATOM 0 HA SER A 25 8.707 -2.441 -7.308 1.00 1.77 H new ATOM 0 HB2 SER A 25 10.492 -2.096 -4.868 1.00 1.78 H new ATOM 0 HB3 SER A 25 11.022 -2.300 -6.526 1.00 1.78 H new ATOM 0 HG SER A 25 10.989 -0.066 -5.884 1.00 1.90 H new ATOM 398 N ASN A 26 9.330 -4.487 -4.776 1.00 1.77 N ATOM 399 CA ASN A 26 9.423 -5.899 -4.427 1.00 1.82 C ATOM 400 C ASN A 26 8.751 -6.160 -3.080 1.00 1.75 C ATOM 401 O ASN A 26 8.691 -7.295 -2.611 1.00 1.87 O ATOM 402 CB ASN A 26 10.892 -6.341 -4.386 1.00 1.95 C ATOM 403 CG ASN A 26 11.068 -7.832 -4.619 1.00 2.06 C ATOM 404 OD1 ASN A 26 11.042 -8.631 -3.685 1.00 2.28 O ATOM 405 ND2 ASN A 26 11.266 -8.218 -5.868 1.00 2.32 N ATOM 0 H ASN A 26 9.561 -3.848 -4.015 1.00 1.77 H new ATOM 0 HA ASN A 26 8.906 -6.481 -5.190 1.00 1.82 H new ATOM 0 HB2 ASN A 26 11.453 -5.792 -5.142 1.00 1.95 H new ATOM 0 HB3 ASN A 26 11.319 -6.077 -3.418 1.00 1.95 H new ATOM 0 HD21 ASN A 26 11.403 -9.206 -6.081 1.00 2.32 H new ATOM 0 HD22 ASN A 26 11.281 -7.528 -6.619 1.00 2.32 H new ATOM 412 N GLU A 27 8.235 -5.100 -2.463 1.00 1.66 N ATOM 413 CA GLU A 27 7.573 -5.218 -1.169 1.00 1.60 C ATOM 414 C GLU A 27 6.105 -5.582 -1.329 1.00 1.47 C ATOM 415 O GLU A 27 5.495 -5.299 -2.360 1.00 1.48 O ATOM 416 CB GLU A 27 7.693 -3.912 -0.393 1.00 1.63 C ATOM 417 CG GLU A 27 9.117 -3.563 -0.021 1.00 1.89 C ATOM 418 CD GLU A 27 9.265 -2.125 0.408 1.00 1.91 C ATOM 419 OE1 GLU A 27 8.615 -1.719 1.390 1.00 2.24 O ATOM 420 OE2 GLU A 27 10.032 -1.387 -0.239 1.00 2.14 O ATOM 0 H GLU A 27 8.263 -4.152 -2.838 1.00 1.66 H new ATOM 0 HA GLU A 27 8.068 -6.017 -0.616 1.00 1.60 H new ATOM 0 HB2 GLU A 27 7.273 -3.103 -0.991 1.00 1.63 H new ATOM 0 HB3 GLU A 27 7.095 -3.981 0.515 1.00 1.63 H new ATOM 0 HG2 GLU A 27 9.449 -4.216 0.786 1.00 1.89 H new ATOM 0 HG3 GLU A 27 9.769 -3.754 -0.873 1.00 1.89 H new ATOM 427 N ARG A 28 5.546 -6.193 -0.295 1.00 1.44 N ATOM 428 CA ARG A 28 4.151 -6.604 -0.302 1.00 1.33 C ATOM 429 C ARG A 28 3.575 -6.498 1.108 1.00 1.28 C ATOM 430 O ARG A 28 3.813 -7.360 1.951 1.00 1.36 O ATOM 431 CB ARG A 28 4.029 -8.044 -0.828 1.00 1.41 C ATOM 432 CG ARG A 28 2.624 -8.447 -1.273 1.00 1.45 C ATOM 433 CD ARG A 28 1.704 -8.720 -0.093 1.00 1.48 C ATOM 434 NE ARG A 28 0.581 -9.587 -0.450 1.00 1.48 N ATOM 435 CZ ARG A 28 -0.585 -9.593 0.194 1.00 1.51 C ATOM 436 NH1 ARG A 28 -0.821 -8.712 1.160 1.00 1.47 N ATOM 437 NH2 ARG A 28 -1.522 -10.466 -0.144 1.00 1.92 N ATOM 0 H ARG A 28 6.043 -6.417 0.567 1.00 1.44 H new ATOM 0 HA ARG A 28 3.585 -5.946 -0.962 1.00 1.33 H new ATOM 0 HB2 ARG A 28 4.711 -8.167 -1.670 1.00 1.41 H new ATOM 0 HB3 ARG A 28 4.358 -8.730 -0.048 1.00 1.41 H new ATOM 0 HG2 ARG A 28 2.198 -7.654 -1.888 1.00 1.45 H new ATOM 0 HG3 ARG A 28 2.684 -9.338 -1.898 1.00 1.45 H new ATOM 0 HD2 ARG A 28 2.276 -9.184 0.711 1.00 1.48 H new ATOM 0 HD3 ARG A 28 1.322 -7.775 0.292 1.00 1.48 H new ATOM 0 HE ARG A 28 0.698 -10.224 -1.238 1.00 1.48 H new ATOM 0 HH11 ARG A 28 -0.108 -8.027 1.411 1.00 1.47 H new ATOM 0 HH12 ARG A 28 -1.715 -8.720 1.650 1.00 1.47 H new ATOM 0 HH21 ARG A 28 -1.350 -11.133 -0.897 1.00 1.92 H new ATOM 0 HH22 ARG A 28 -2.415 -10.472 0.348 1.00 1.92 H new ATOM 451 N TYR A 29 2.836 -5.430 1.364 1.00 1.17 N ATOM 452 CA TYR A 29 2.224 -5.227 2.668 1.00 1.13 C ATOM 453 C TYR A 29 0.734 -5.529 2.600 1.00 1.01 C ATOM 454 O TYR A 29 0.109 -5.387 1.545 1.00 1.00 O ATOM 455 CB TYR A 29 2.453 -3.794 3.163 1.00 1.13 C ATOM 456 CG TYR A 29 3.898 -3.479 3.472 1.00 1.30 C ATOM 457 CD1 TYR A 29 4.423 -3.694 4.739 1.00 1.52 C ATOM 458 CD2 TYR A 29 4.738 -2.973 2.490 1.00 1.60 C ATOM 459 CE1 TYR A 29 5.749 -3.414 5.019 1.00 1.82 C ATOM 460 CE2 TYR A 29 6.061 -2.691 2.761 1.00 1.88 C ATOM 461 CZ TYR A 29 6.565 -2.912 4.024 1.00 1.91 C ATOM 462 OH TYR A 29 7.889 -2.639 4.288 1.00 2.29 O ATOM 0 H TYR A 29 2.646 -4.691 0.687 1.00 1.17 H new ATOM 0 HA TYR A 29 2.693 -5.910 3.376 1.00 1.13 H new ATOM 0 HB2 TYR A 29 2.092 -3.096 2.407 1.00 1.13 H new ATOM 0 HB3 TYR A 29 1.855 -3.629 4.059 1.00 1.13 H new ATOM 0 HD1 TYR A 29 3.787 -4.086 5.519 1.00 1.52 H new ATOM 0 HD2 TYR A 29 4.350 -2.797 1.498 1.00 1.60 H new ATOM 0 HE1 TYR A 29 6.143 -3.587 6.009 1.00 1.82 H new ATOM 0 HE2 TYR A 29 6.700 -2.298 1.985 1.00 1.88 H new ATOM 0 HH TYR A 29 8.323 -2.308 3.474 1.00 2.29 H new ATOM 472 N ASP A 30 0.178 -5.963 3.717 1.00 0.98 N ATOM 473 CA ASP A 30 -1.238 -6.295 3.796 1.00 0.90 C ATOM 474 C ASP A 30 -1.958 -5.270 4.660 1.00 0.84 C ATOM 475 O ASP A 30 -1.755 -5.215 5.873 1.00 0.96 O ATOM 476 CB ASP A 30 -1.412 -7.699 4.378 1.00 0.97 C ATOM 477 CG ASP A 30 -2.742 -8.330 4.020 1.00 1.07 C ATOM 478 OD1 ASP A 30 -2.902 -8.769 2.860 1.00 1.28 O ATOM 479 OD2 ASP A 30 -3.619 -8.430 4.904 1.00 1.34 O ATOM 0 H ASP A 30 0.688 -6.095 4.590 1.00 0.98 H new ATOM 0 HA ASP A 30 -1.669 -6.277 2.795 1.00 0.90 H new ATOM 0 HB2 ASP A 30 -0.605 -8.338 4.018 1.00 0.97 H new ATOM 0 HB3 ASP A 30 -1.320 -7.650 5.463 1.00 0.97 H new ATOM 484 N LEU A 31 -2.784 -4.448 4.037 1.00 0.71 N ATOM 485 CA LEU A 31 -3.504 -3.410 4.758 1.00 0.66 C ATOM 486 C LEU A 31 -5.007 -3.581 4.598 1.00 0.58 C ATOM 487 O LEU A 31 -5.490 -3.900 3.512 1.00 0.59 O ATOM 488 CB LEU A 31 -3.072 -2.032 4.248 1.00 0.66 C ATOM 489 CG LEU A 31 -2.758 -0.987 5.323 1.00 0.77 C ATOM 490 CD1 LEU A 31 -4.024 -0.548 6.040 1.00 0.95 C ATOM 491 CD2 LEU A 31 -1.737 -1.522 6.319 1.00 0.98 C ATOM 0 H LEU A 31 -2.973 -4.478 3.035 1.00 0.71 H new ATOM 0 HA LEU A 31 -3.264 -3.494 5.818 1.00 0.66 H new ATOM 0 HB2 LEU A 31 -2.188 -2.158 3.623 1.00 0.66 H new ATOM 0 HB3 LEU A 31 -3.862 -1.640 3.607 1.00 0.66 H new ATOM 0 HG LEU A 31 -2.328 -0.117 4.828 1.00 0.77 H new ATOM 0 HD11 LEU A 31 -3.774 0.194 6.798 1.00 0.95 H new ATOM 0 HD12 LEU A 31 -4.717 -0.112 5.320 1.00 0.95 H new ATOM 0 HD13 LEU A 31 -4.490 -1.411 6.516 1.00 0.95 H new ATOM 0 HD21 LEU A 31 -1.531 -0.762 7.072 1.00 0.98 H new ATOM 0 HD22 LEU A 31 -2.134 -2.414 6.803 1.00 0.98 H new ATOM 0 HD23 LEU A 31 -0.815 -1.773 5.795 1.00 0.98 H new ATOM 503 N LEU A 32 -5.738 -3.384 5.682 1.00 0.55 N ATOM 504 CA LEU A 32 -7.188 -3.507 5.663 1.00 0.52 C ATOM 505 C LEU A 32 -7.825 -2.272 5.026 1.00 0.43 C ATOM 506 O LEU A 32 -7.353 -1.148 5.226 1.00 0.43 O ATOM 507 CB LEU A 32 -7.717 -3.693 7.086 1.00 0.60 C ATOM 508 CG LEU A 32 -9.236 -3.591 7.233 1.00 0.73 C ATOM 509 CD1 LEU A 32 -9.849 -4.963 7.463 1.00 0.94 C ATOM 510 CD2 LEU A 32 -9.598 -2.644 8.364 1.00 0.85 C ATOM 0 H LEU A 32 -5.349 -3.137 6.592 1.00 0.55 H new ATOM 0 HA LEU A 32 -7.453 -4.380 5.066 1.00 0.52 H new ATOM 0 HB2 LEU A 32 -7.397 -4.669 7.451 1.00 0.60 H new ATOM 0 HB3 LEU A 32 -7.254 -2.945 7.730 1.00 0.60 H new ATOM 0 HG LEU A 32 -9.644 -3.190 6.305 1.00 0.73 H new ATOM 0 HD11 LEU A 32 -10.930 -4.866 7.565 1.00 0.94 H new ATOM 0 HD12 LEU A 32 -9.621 -5.610 6.616 1.00 0.94 H new ATOM 0 HD13 LEU A 32 -9.436 -5.398 8.373 1.00 0.94 H new ATOM 0 HD21 LEU A 32 -10.683 -2.583 8.455 1.00 0.85 H new ATOM 0 HD22 LEU A 32 -9.176 -3.015 9.298 1.00 0.85 H new ATOM 0 HD23 LEU A 32 -9.196 -1.653 8.152 1.00 0.85 H new ATOM 522 N VAL A 33 -8.889 -2.490 4.259 1.00 0.41 N ATOM 523 CA VAL A 33 -9.602 -1.403 3.593 1.00 0.36 C ATOM 524 C VAL A 33 -10.212 -0.446 4.612 1.00 0.41 C ATOM 525 O VAL A 33 -10.735 -0.874 5.645 1.00 0.51 O ATOM 526 CB VAL A 33 -10.709 -1.949 2.663 1.00 0.39 C ATOM 527 CG1 VAL A 33 -11.661 -0.847 2.214 1.00 0.49 C ATOM 528 CG2 VAL A 33 -10.091 -2.628 1.459 1.00 0.56 C ATOM 0 H VAL A 33 -9.279 -3.416 4.082 1.00 0.41 H new ATOM 0 HA VAL A 33 -8.876 -0.859 2.989 1.00 0.36 H new ATOM 0 HB VAL A 33 -11.289 -2.678 3.229 1.00 0.39 H new ATOM 0 HG11 VAL A 33 -12.425 -1.270 1.562 1.00 0.49 H new ATOM 0 HG12 VAL A 33 -12.136 -0.399 3.087 1.00 0.49 H new ATOM 0 HG13 VAL A 33 -11.104 -0.083 1.672 1.00 0.49 H new ATOM 0 HG21 VAL A 33 -10.880 -3.009 0.811 1.00 0.56 H new ATOM 0 HG22 VAL A 33 -9.484 -1.910 0.908 1.00 0.56 H new ATOM 0 HG23 VAL A 33 -9.463 -3.455 1.790 1.00 0.56 H new ATOM 538 N THR A 34 -10.140 0.842 4.312 1.00 0.39 N ATOM 539 CA THR A 34 -10.676 1.867 5.187 1.00 0.48 C ATOM 540 C THR A 34 -12.204 1.901 5.105 1.00 0.59 C ATOM 541 O THR A 34 -12.773 2.281 4.079 1.00 0.65 O ATOM 542 CB THR A 34 -10.100 3.241 4.813 1.00 0.51 C ATOM 543 OG1 THR A 34 -8.795 3.072 4.236 1.00 0.49 O ATOM 544 CG2 THR A 34 -10.005 4.140 6.036 1.00 0.64 C ATOM 0 H THR A 34 -9.711 1.202 3.460 1.00 0.39 H new ATOM 0 HA THR A 34 -10.387 1.628 6.211 1.00 0.48 H new ATOM 0 HB THR A 34 -10.766 3.712 4.090 1.00 0.51 H new ATOM 0 HG1 THR A 34 -8.884 2.764 3.310 1.00 0.49 H new ATOM 0 HG21 THR A 34 -9.594 5.107 5.746 1.00 0.64 H new ATOM 0 HG22 THR A 34 -10.998 4.281 6.462 1.00 0.64 H new ATOM 0 HG23 THR A 34 -9.354 3.677 6.778 1.00 0.64 H new ATOM 552 N PRO A 35 -12.883 1.498 6.194 1.00 0.73 N ATOM 553 CA PRO A 35 -14.340 1.456 6.255 1.00 0.89 C ATOM 554 C PRO A 35 -14.944 2.790 6.695 1.00 0.93 C ATOM 555 O PRO A 35 -14.378 3.849 6.421 1.00 0.93 O ATOM 556 CB PRO A 35 -14.576 0.372 7.308 1.00 1.07 C ATOM 557 CG PRO A 35 -13.441 0.529 8.263 1.00 1.07 C ATOM 558 CD PRO A 35 -12.276 1.059 7.465 1.00 0.82 C ATOM 0 HA PRO A 35 -14.805 1.257 5.289 1.00 0.89 H new ATOM 0 HB2 PRO A 35 -15.536 0.505 7.807 1.00 1.07 H new ATOM 0 HB3 PRO A 35 -14.584 -0.622 6.860 1.00 1.07 H new ATOM 0 HG2 PRO A 35 -13.704 1.216 9.068 1.00 1.07 H new ATOM 0 HG3 PRO A 35 -13.191 -0.425 8.727 1.00 1.07 H new ATOM 0 HD2 PRO A 35 -11.784 1.885 7.978 1.00 0.82 H new ATOM 0 HD3 PRO A 35 -11.521 0.290 7.302 1.00 0.82 H new ATOM 566 N GLN A 36 -16.098 2.717 7.370 1.00 1.02 N ATOM 567 CA GLN A 36 -16.813 3.889 7.875 1.00 1.13 C ATOM 568 C GLN A 36 -17.486 4.628 6.731 1.00 1.16 C ATOM 569 O GLN A 36 -17.531 5.859 6.709 1.00 1.24 O ATOM 570 CB GLN A 36 -15.880 4.824 8.654 1.00 1.16 C ATOM 571 CG GLN A 36 -15.188 4.150 9.830 1.00 1.38 C ATOM 572 CD GLN A 36 -13.743 4.583 9.980 1.00 1.95 C ATOM 573 OE1 GLN A 36 -13.384 5.715 9.652 1.00 2.47 O ATOM 574 NE2 GLN A 36 -12.903 3.686 10.477 1.00 2.33 N ATOM 0 H GLN A 36 -16.563 1.834 7.581 1.00 1.02 H new ATOM 0 HA GLN A 36 -17.580 3.543 8.567 1.00 1.13 H new ATOM 0 HB2 GLN A 36 -15.124 5.218 7.975 1.00 1.16 H new ATOM 0 HB3 GLN A 36 -16.454 5.675 9.020 1.00 1.16 H new ATOM 0 HG2 GLN A 36 -15.730 4.381 10.747 1.00 1.38 H new ATOM 0 HG3 GLN A 36 -15.228 3.069 9.700 1.00 1.38 H new ATOM 0 HE21 GLN A 36 -13.241 2.759 10.736 1.00 2.33 H new ATOM 0 HE22 GLN A 36 -11.918 3.923 10.600 1.00 2.33 H new ATOM 583 N GLN A 37 -18.019 3.867 5.786 1.00 1.15 N ATOM 584 CA GLN A 37 -18.698 4.445 4.636 1.00 1.23 C ATOM 585 C GLN A 37 -19.780 3.502 4.126 1.00 1.30 C ATOM 586 O GLN A 37 -20.967 3.700 4.394 1.00 1.64 O ATOM 587 CB GLN A 37 -17.701 4.758 3.517 1.00 1.16 C ATOM 588 CG GLN A 37 -17.843 6.165 2.958 1.00 1.33 C ATOM 589 CD GLN A 37 -19.097 6.346 2.125 1.00 1.52 C ATOM 590 OE1 GLN A 37 -19.549 5.425 1.448 1.00 1.79 O ATOM 591 NE2 GLN A 37 -19.669 7.538 2.166 1.00 1.82 N ATOM 0 H GLN A 37 -17.994 2.847 5.793 1.00 1.15 H new ATOM 0 HA GLN A 37 -19.166 5.377 4.952 1.00 1.23 H new ATOM 0 HB2 GLN A 37 -16.688 4.626 3.896 1.00 1.16 H new ATOM 0 HB3 GLN A 37 -17.835 4.039 2.709 1.00 1.16 H new ATOM 0 HG2 GLN A 37 -17.854 6.878 3.782 1.00 1.33 H new ATOM 0 HG3 GLN A 37 -16.971 6.397 2.347 1.00 1.33 H new ATOM 0 HE21 GLN A 37 -19.265 8.278 2.740 1.00 1.82 H new ATOM 0 HE22 GLN A 37 -20.514 7.717 1.624 1.00 1.82 H new ATOM 600 N GLY A 38 -19.371 2.472 3.398 1.00 1.14 N ATOM 601 CA GLY A 38 -20.325 1.527 2.865 1.00 1.21 C ATOM 602 C GLY A 38 -19.757 0.131 2.749 1.00 1.14 C ATOM 603 O GLY A 38 -19.910 -0.504 1.707 1.00 1.17 O ATOM 0 H GLY A 38 -18.397 2.276 3.169 1.00 1.14 H new ATOM 0 HA2 GLY A 38 -21.206 1.505 3.506 1.00 1.21 H new ATOM 0 HA3 GLY A 38 -20.655 1.864 1.882 1.00 1.21 H new ATOM 607 N ASN A 39 -19.096 -0.322 3.823 1.00 1.13 N ATOM 608 CA ASN A 39 -18.472 -1.657 3.934 1.00 1.11 C ATOM 609 C ASN A 39 -17.589 -2.033 2.730 1.00 0.97 C ATOM 610 O ASN A 39 -16.365 -1.992 2.832 1.00 0.89 O ATOM 611 CB ASN A 39 -19.505 -2.767 4.261 1.00 1.30 C ATOM 612 CG ASN A 39 -20.597 -2.973 3.221 1.00 1.40 C ATOM 613 OD1 ASN A 39 -20.434 -3.746 2.277 1.00 1.84 O ATOM 614 ND2 ASN A 39 -21.722 -2.297 3.395 1.00 1.70 N ATOM 0 H ASN A 39 -18.975 0.242 4.664 1.00 1.13 H new ATOM 0 HA ASN A 39 -17.795 -1.583 4.785 1.00 1.11 H new ATOM 0 HB2 ASN A 39 -18.971 -3.708 4.393 1.00 1.30 H new ATOM 0 HB3 ASN A 39 -19.976 -2.531 5.215 1.00 1.30 H new ATOM 0 HD21 ASN A 39 -22.491 -2.408 2.734 1.00 1.70 H new ATOM 0 HD22 ASN A 39 -21.820 -1.665 4.190 1.00 1.70 H new ATOM 621 N SER A 40 -18.192 -2.409 1.612 1.00 1.02 N ATOM 622 CA SER A 40 -17.445 -2.786 0.422 1.00 0.95 C ATOM 623 C SER A 40 -17.009 -1.543 -0.348 1.00 0.87 C ATOM 624 O SER A 40 -16.205 -1.623 -1.276 1.00 0.82 O ATOM 625 CB SER A 40 -18.302 -3.686 -0.469 1.00 1.07 C ATOM 626 OG SER A 40 -18.901 -4.729 0.287 1.00 1.30 O ATOM 0 H SER A 40 -19.205 -2.461 1.504 1.00 1.02 H new ATOM 0 HA SER A 40 -16.554 -3.335 0.727 1.00 0.95 H new ATOM 0 HB2 SER A 40 -19.077 -3.092 -0.954 1.00 1.07 H new ATOM 0 HB3 SER A 40 -17.686 -4.113 -1.260 1.00 1.07 H new ATOM 0 HG SER A 40 -19.645 -4.367 0.813 1.00 1.30 H new ATOM 632 N GLU A 41 -17.559 -0.399 0.039 1.00 0.92 N ATOM 633 CA GLU A 41 -17.224 0.865 -0.590 1.00 0.88 C ATOM 634 C GLU A 41 -16.310 1.666 0.329 1.00 0.81 C ATOM 635 O GLU A 41 -16.750 2.169 1.367 1.00 0.90 O ATOM 636 CB GLU A 41 -18.491 1.660 -0.903 1.00 1.02 C ATOM 637 CG GLU A 41 -18.311 2.675 -2.020 1.00 1.34 C ATOM 638 CD GLU A 41 -19.615 3.317 -2.433 1.00 1.49 C ATOM 639 OE1 GLU A 41 -20.673 2.668 -2.297 1.00 1.83 O ATOM 640 OE2 GLU A 41 -19.592 4.473 -2.906 1.00 1.73 O ATOM 0 H GLU A 41 -18.244 -0.324 0.791 1.00 0.92 H new ATOM 0 HA GLU A 41 -16.705 0.668 -1.528 1.00 0.88 H new ATOM 0 HB2 GLU A 41 -19.286 0.967 -1.178 1.00 1.02 H new ATOM 0 HB3 GLU A 41 -18.817 2.178 -0.001 1.00 1.02 H new ATOM 0 HG2 GLU A 41 -17.616 3.449 -1.695 1.00 1.34 H new ATOM 0 HG3 GLU A 41 -17.861 2.185 -2.883 1.00 1.34 H new ATOM 647 N PRO A 42 -15.021 1.766 -0.025 1.00 0.69 N ATOM 648 CA PRO A 42 -14.028 2.495 0.771 1.00 0.67 C ATOM 649 C PRO A 42 -14.230 4.010 0.741 1.00 0.69 C ATOM 650 O PRO A 42 -14.907 4.546 -0.137 1.00 0.77 O ATOM 651 CB PRO A 42 -12.693 2.135 0.105 1.00 0.60 C ATOM 652 CG PRO A 42 -12.990 0.999 -0.816 1.00 0.62 C ATOM 653 CD PRO A 42 -14.420 1.165 -1.221 1.00 0.64 C ATOM 0 HA PRO A 42 -14.092 2.221 1.824 1.00 0.67 H new ATOM 0 HB2 PRO A 42 -12.287 2.986 -0.442 1.00 0.60 H new ATOM 0 HB3 PRO A 42 -11.949 1.851 0.849 1.00 0.60 H new ATOM 0 HG2 PRO A 42 -12.333 1.018 -1.685 1.00 0.62 H new ATOM 0 HG3 PRO A 42 -12.833 0.042 -0.319 1.00 0.62 H new ATOM 0 HD2 PRO A 42 -14.522 1.809 -2.094 1.00 0.64 H new ATOM 0 HD3 PRO A 42 -14.884 0.211 -1.473 1.00 0.64 H new ATOM 661 N VAL A 43 -13.629 4.698 1.706 1.00 0.67 N ATOM 662 CA VAL A 43 -13.731 6.149 1.790 1.00 0.72 C ATOM 663 C VAL A 43 -12.803 6.822 0.782 1.00 0.65 C ATOM 664 O VAL A 43 -11.992 6.163 0.132 1.00 0.58 O ATOM 665 CB VAL A 43 -13.392 6.670 3.202 1.00 0.76 C ATOM 666 CG1 VAL A 43 -14.434 6.217 4.211 1.00 0.90 C ATOM 667 CG2 VAL A 43 -12.006 6.210 3.629 1.00 0.67 C ATOM 0 H VAL A 43 -13.065 4.272 2.442 1.00 0.67 H new ATOM 0 HA VAL A 43 -14.767 6.400 1.562 1.00 0.72 H new ATOM 0 HB VAL A 43 -13.398 7.759 3.168 1.00 0.76 H new ATOM 0 HG11 VAL A 43 -14.173 6.597 5.199 1.00 0.90 H new ATOM 0 HG12 VAL A 43 -15.412 6.601 3.921 1.00 0.90 H new ATOM 0 HG13 VAL A 43 -14.465 5.128 4.238 1.00 0.90 H new ATOM 0 HG21 VAL A 43 -11.788 6.589 4.628 1.00 0.67 H new ATOM 0 HG22 VAL A 43 -11.971 5.121 3.639 1.00 0.67 H new ATOM 0 HG23 VAL A 43 -11.264 6.590 2.927 1.00 0.67 H new ATOM 677 N VAL A 44 -12.909 8.139 0.678 1.00 0.72 N ATOM 678 CA VAL A 44 -12.082 8.904 -0.252 1.00 0.71 C ATOM 679 C VAL A 44 -10.601 8.852 0.126 1.00 0.66 C ATOM 680 O VAL A 44 -9.733 8.897 -0.742 1.00 0.68 O ATOM 681 CB VAL A 44 -12.525 10.381 -0.334 1.00 0.85 C ATOM 682 CG1 VAL A 44 -13.666 10.542 -1.320 1.00 1.06 C ATOM 683 CG2 VAL A 44 -12.929 10.910 1.035 1.00 0.98 C ATOM 0 H VAL A 44 -13.559 8.703 1.225 1.00 0.72 H new ATOM 0 HA VAL A 44 -12.217 8.436 -1.227 1.00 0.71 H new ATOM 0 HB VAL A 44 -11.675 10.966 -0.686 1.00 0.85 H new ATOM 0 HG11 VAL A 44 -13.964 11.590 -1.364 1.00 1.06 H new ATOM 0 HG12 VAL A 44 -13.342 10.215 -2.308 1.00 1.06 H new ATOM 0 HG13 VAL A 44 -14.513 9.937 -0.998 1.00 1.06 H new ATOM 0 HG21 VAL A 44 -13.236 11.952 0.946 1.00 0.98 H new ATOM 0 HG22 VAL A 44 -13.759 10.319 1.423 1.00 0.98 H new ATOM 0 HG23 VAL A 44 -12.082 10.838 1.717 1.00 0.98 H new ATOM 693 N GLN A 45 -10.318 8.740 1.421 1.00 0.66 N ATOM 694 CA GLN A 45 -8.940 8.694 1.900 1.00 0.65 C ATOM 695 C GLN A 45 -8.426 7.260 1.988 1.00 0.57 C ATOM 696 O GLN A 45 -7.329 7.026 2.489 1.00 0.62 O ATOM 697 CB GLN A 45 -8.828 9.348 3.282 1.00 0.74 C ATOM 698 CG GLN A 45 -9.185 10.824 3.303 1.00 1.07 C ATOM 699 CD GLN A 45 -8.956 11.463 4.663 1.00 1.44 C ATOM 700 OE1 GLN A 45 -7.953 10.987 5.388 1.00 1.88 O flip ATOM 701 NE2 GLN A 45 -9.671 12.381 5.055 1.00 1.94 N flip ATOM 0 H GLN A 45 -11.023 8.680 2.156 1.00 0.66 H new ATOM 0 HA GLN A 45 -8.331 9.243 1.181 1.00 0.65 H new ATOM 0 HB2 GLN A 45 -9.480 8.818 3.976 1.00 0.74 H new ATOM 0 HB3 GLN A 45 -7.808 9.227 3.647 1.00 0.74 H new ATOM 0 HG2 GLN A 45 -8.590 11.348 2.555 1.00 1.07 H new ATOM 0 HG3 GLN A 45 -10.231 10.945 3.021 1.00 1.07 H new ATOM 0 HE21 GLN A 45 -10.433 12.720 4.468 1.00 1.94 H new ATOM 0 HE22 GLN A 45 -9.503 12.805 5.967 1.00 1.94 H new ATOM 710 N ASP A 46 -9.208 6.310 1.488 1.00 0.49 N ATOM 711 CA ASP A 46 -8.833 4.896 1.547 1.00 0.42 C ATOM 712 C ASP A 46 -7.530 4.610 0.814 1.00 0.41 C ATOM 713 O ASP A 46 -6.557 4.180 1.424 1.00 0.46 O ATOM 714 CB ASP A 46 -9.932 4.017 0.963 1.00 0.38 C ATOM 715 CG ASP A 46 -9.476 2.581 0.782 1.00 0.31 C ATOM 716 OD1 ASP A 46 -9.349 1.866 1.803 1.00 0.32 O ATOM 717 OD2 ASP A 46 -9.235 2.170 -0.381 1.00 0.31 O ATOM 0 H ASP A 46 -10.105 6.490 1.037 1.00 0.49 H new ATOM 0 HA ASP A 46 -8.691 4.662 2.602 1.00 0.42 H new ATOM 0 HB2 ASP A 46 -10.802 4.041 1.619 1.00 0.38 H new ATOM 0 HB3 ASP A 46 -10.247 4.421 0.001 1.00 0.38 H new ATOM 722 N LEU A 47 -7.515 4.870 -0.489 1.00 0.46 N ATOM 723 CA LEU A 47 -6.337 4.613 -1.323 1.00 0.54 C ATOM 724 C LEU A 47 -5.073 5.240 -0.735 1.00 0.56 C ATOM 725 O LEU A 47 -3.978 4.703 -0.883 1.00 0.65 O ATOM 726 CB LEU A 47 -6.567 5.116 -2.755 1.00 0.66 C ATOM 727 CG LEU A 47 -6.373 6.620 -2.980 1.00 0.88 C ATOM 728 CD1 LEU A 47 -6.193 6.908 -4.458 1.00 1.41 C ATOM 729 CD2 LEU A 47 -7.553 7.407 -2.440 1.00 1.00 C ATOM 0 H LEU A 47 -8.309 5.261 -0.997 1.00 0.46 H new ATOM 0 HA LEU A 47 -6.188 3.534 -1.347 1.00 0.54 H new ATOM 0 HB2 LEU A 47 -5.890 4.579 -3.420 1.00 0.66 H new ATOM 0 HB3 LEU A 47 -7.582 4.853 -3.052 1.00 0.66 H new ATOM 0 HG LEU A 47 -5.478 6.931 -2.442 1.00 0.88 H new ATOM 0 HD11 LEU A 47 -6.056 7.979 -4.606 1.00 1.41 H new ATOM 0 HD12 LEU A 47 -5.317 6.376 -4.828 1.00 1.41 H new ATOM 0 HD13 LEU A 47 -7.076 6.576 -5.004 1.00 1.41 H new ATOM 0 HD21 LEU A 47 -7.390 8.471 -2.612 1.00 1.00 H new ATOM 0 HD22 LEU A 47 -8.464 7.092 -2.949 1.00 1.00 H new ATOM 0 HD23 LEU A 47 -7.654 7.224 -1.370 1.00 1.00 H new ATOM 741 N ALA A 48 -5.233 6.366 -0.060 1.00 0.58 N ATOM 742 CA ALA A 48 -4.109 7.052 0.548 1.00 0.69 C ATOM 743 C ALA A 48 -3.729 6.397 1.873 1.00 0.67 C ATOM 744 O ALA A 48 -2.556 6.116 2.123 1.00 0.76 O ATOM 745 CB ALA A 48 -4.448 8.523 0.746 1.00 0.83 C ATOM 0 H ALA A 48 -6.133 6.824 0.080 1.00 0.58 H new ATOM 0 HA ALA A 48 -3.249 6.978 -0.117 1.00 0.69 H new ATOM 0 HB1 ALA A 48 -3.600 9.033 1.203 1.00 0.83 H new ATOM 0 HB2 ALA A 48 -4.669 8.979 -0.219 1.00 0.83 H new ATOM 0 HB3 ALA A 48 -5.318 8.611 1.396 1.00 0.83 H new ATOM 751 N GLN A 49 -4.737 6.125 2.696 1.00 0.60 N ATOM 752 CA GLN A 49 -4.531 5.513 4.004 1.00 0.62 C ATOM 753 C GLN A 49 -3.891 4.134 3.883 1.00 0.59 C ATOM 754 O GLN A 49 -3.015 3.786 4.676 1.00 0.66 O ATOM 755 CB GLN A 49 -5.859 5.405 4.761 1.00 0.62 C ATOM 756 CG GLN A 49 -5.729 4.766 6.136 1.00 0.95 C ATOM 757 CD GLN A 49 -4.849 5.572 7.074 1.00 1.27 C ATOM 758 OE1 GLN A 49 -3.552 5.310 7.042 1.00 1.86 O flip ATOM 759 NE2 GLN A 49 -5.329 6.423 7.819 1.00 1.43 N flip ATOM 0 H GLN A 49 -5.714 6.321 2.477 1.00 0.60 H new ATOM 0 HA GLN A 49 -3.850 6.156 4.562 1.00 0.62 H new ATOM 0 HB2 GLN A 49 -6.286 6.402 4.872 1.00 0.62 H new ATOM 0 HB3 GLN A 49 -6.561 4.822 4.164 1.00 0.62 H new ATOM 0 HG2 GLN A 49 -6.720 4.657 6.577 1.00 0.95 H new ATOM 0 HG3 GLN A 49 -5.316 3.763 6.029 1.00 0.95 H new ATOM 0 HE21 GLN A 49 -6.334 6.596 7.815 1.00 1.43 H new ATOM 0 HE22 GLN A 49 -4.722 6.956 8.442 1.00 1.43 H new ATOM 768 N LEU A 50 -4.327 3.361 2.896 1.00 0.52 N ATOM 769 CA LEU A 50 -3.800 2.016 2.675 1.00 0.53 C ATOM 770 C LEU A 50 -2.286 2.033 2.517 1.00 0.65 C ATOM 771 O LEU A 50 -1.565 1.314 3.209 1.00 0.72 O ATOM 772 CB LEU A 50 -4.431 1.392 1.430 1.00 0.46 C ATOM 773 CG LEU A 50 -5.956 1.311 1.439 1.00 0.36 C ATOM 774 CD1 LEU A 50 -6.465 0.722 0.136 1.00 0.35 C ATOM 775 CD2 LEU A 50 -6.443 0.494 2.624 1.00 0.40 C ATOM 0 H LEU A 50 -5.048 3.643 2.232 1.00 0.52 H new ATOM 0 HA LEU A 50 -4.053 1.418 3.551 1.00 0.53 H new ATOM 0 HB2 LEU A 50 -4.120 1.968 0.558 1.00 0.46 H new ATOM 0 HB3 LEU A 50 -4.031 0.385 1.306 1.00 0.46 H new ATOM 0 HG LEU A 50 -6.353 2.321 1.537 1.00 0.36 H new ATOM 0 HD11 LEU A 50 -7.554 0.672 0.160 1.00 0.35 H new ATOM 0 HD12 LEU A 50 -6.149 1.352 -0.696 1.00 0.35 H new ATOM 0 HD13 LEU A 50 -6.058 -0.281 0.007 1.00 0.35 H new ATOM 0 HD21 LEU A 50 -7.532 0.449 2.612 1.00 0.40 H new ATOM 0 HD22 LEU A 50 -6.037 -0.516 2.561 1.00 0.40 H new ATOM 0 HD23 LEU A 50 -6.110 0.962 3.550 1.00 0.40 H new ATOM 787 N VAL A 51 -1.810 2.872 1.615 1.00 0.70 N ATOM 788 CA VAL A 51 -0.383 2.974 1.350 1.00 0.84 C ATOM 789 C VAL A 51 0.346 3.627 2.524 1.00 0.90 C ATOM 790 O VAL A 51 1.489 3.274 2.833 1.00 1.01 O ATOM 791 CB VAL A 51 -0.113 3.772 0.058 1.00 0.90 C ATOM 792 CG1 VAL A 51 1.327 3.605 -0.387 1.00 1.56 C ATOM 793 CG2 VAL A 51 -1.063 3.332 -1.044 1.00 1.37 C ATOM 0 H VAL A 51 -2.390 3.494 1.052 1.00 0.70 H new ATOM 0 HA VAL A 51 -0.002 1.961 1.220 1.00 0.84 H new ATOM 0 HB VAL A 51 -0.285 4.828 0.266 1.00 0.90 H new ATOM 0 HG11 VAL A 51 1.494 4.177 -1.300 1.00 1.56 H new ATOM 0 HG12 VAL A 51 1.994 3.967 0.395 1.00 1.56 H new ATOM 0 HG13 VAL A 51 1.529 2.551 -0.577 1.00 1.56 H new ATOM 0 HG21 VAL A 51 -0.860 3.904 -1.949 1.00 1.37 H new ATOM 0 HG22 VAL A 51 -0.919 2.271 -1.246 1.00 1.37 H new ATOM 0 HG23 VAL A 51 -2.092 3.505 -0.728 1.00 1.37 H new ATOM 803 N GLU A 52 -0.325 4.564 3.180 1.00 0.86 N ATOM 804 CA GLU A 52 0.248 5.270 4.322 1.00 0.93 C ATOM 805 C GLU A 52 0.462 4.334 5.505 1.00 0.95 C ATOM 806 O GLU A 52 1.592 4.144 5.961 1.00 1.07 O ATOM 807 CB GLU A 52 -0.661 6.435 4.736 1.00 0.91 C ATOM 808 CG GLU A 52 -0.268 7.081 6.056 1.00 1.13 C ATOM 809 CD GLU A 52 -0.850 8.468 6.237 1.00 1.17 C ATOM 810 OE1 GLU A 52 -1.998 8.580 6.715 1.00 1.37 O ATOM 811 OE2 GLU A 52 -0.150 9.456 5.927 1.00 1.40 O ATOM 0 H GLU A 52 -1.273 4.855 2.940 1.00 0.86 H new ATOM 0 HA GLU A 52 1.220 5.660 4.018 1.00 0.93 H new ATOM 0 HB2 GLU A 52 -0.645 7.193 3.952 1.00 0.91 H new ATOM 0 HB3 GLU A 52 -1.687 6.075 4.810 1.00 0.91 H new ATOM 0 HG2 GLU A 52 -0.599 6.445 6.877 1.00 1.13 H new ATOM 0 HG3 GLU A 52 0.819 7.139 6.116 1.00 1.13 H new ATOM 818 N GLU A 53 -0.625 3.720 5.958 1.00 0.86 N ATOM 819 CA GLU A 53 -0.603 2.820 7.110 1.00 0.89 C ATOM 820 C GLU A 53 0.328 1.633 6.888 1.00 0.93 C ATOM 821 O GLU A 53 0.839 1.052 7.844 1.00 1.01 O ATOM 822 CB GLU A 53 -2.018 2.318 7.404 1.00 0.85 C ATOM 823 CG GLU A 53 -2.163 1.635 8.754 1.00 1.33 C ATOM 824 CD GLU A 53 -1.795 2.545 9.907 1.00 1.45 C ATOM 825 OE1 GLU A 53 -2.480 3.570 10.101 1.00 1.81 O ATOM 826 OE2 GLU A 53 -0.826 2.233 10.628 1.00 1.99 O ATOM 0 H GLU A 53 -1.548 3.831 5.538 1.00 0.86 H new ATOM 0 HA GLU A 53 -0.224 3.384 7.962 1.00 0.89 H new ATOM 0 HB2 GLU A 53 -2.708 3.160 7.358 1.00 0.85 H new ATOM 0 HB3 GLU A 53 -2.315 1.620 6.621 1.00 0.85 H new ATOM 0 HG2 GLU A 53 -3.191 1.296 8.877 1.00 1.33 H new ATOM 0 HG3 GLU A 53 -1.530 0.748 8.779 1.00 1.33 H new ATOM 833 N ALA A 54 0.551 1.287 5.627 1.00 0.93 N ATOM 834 CA ALA A 54 1.412 0.164 5.275 1.00 1.00 C ATOM 835 C ALA A 54 2.797 0.265 5.921 1.00 1.15 C ATOM 836 O ALA A 54 3.363 -0.744 6.334 1.00 1.28 O ATOM 837 CB ALA A 54 1.548 0.060 3.764 1.00 1.06 C ATOM 0 H ALA A 54 0.145 1.771 4.826 1.00 0.93 H new ATOM 0 HA ALA A 54 0.938 -0.738 5.663 1.00 1.00 H new ATOM 0 HB1 ALA A 54 2.193 -0.782 3.514 1.00 1.06 H new ATOM 0 HB2 ALA A 54 0.564 -0.092 3.320 1.00 1.06 H new ATOM 0 HB3 ALA A 54 1.984 0.980 3.374 1.00 1.06 H new ATOM 843 N THR A 55 3.337 1.475 6.020 1.00 1.21 N ATOM 844 CA THR A 55 4.662 1.655 6.605 1.00 1.38 C ATOM 845 C THR A 55 4.739 2.875 7.518 1.00 1.40 C ATOM 846 O THR A 55 5.812 3.201 8.028 1.00 1.55 O ATOM 847 CB THR A 55 5.729 1.803 5.503 1.00 1.60 C ATOM 848 OG1 THR A 55 5.232 2.647 4.452 1.00 1.81 O ATOM 849 CG2 THR A 55 6.117 0.451 4.932 1.00 1.77 C ATOM 0 H THR A 55 2.886 2.335 5.708 1.00 1.21 H new ATOM 0 HA THR A 55 4.852 0.763 7.202 1.00 1.38 H new ATOM 0 HB THR A 55 6.616 2.255 5.948 1.00 1.60 H new ATOM 0 HG1 THR A 55 5.959 2.856 3.829 1.00 1.81 H new ATOM 0 HG21 THR A 55 6.871 0.586 4.157 1.00 1.77 H new ATOM 0 HG22 THR A 55 6.521 -0.177 5.726 1.00 1.77 H new ATOM 0 HG23 THR A 55 5.237 -0.029 4.503 1.00 1.77 H new ATOM 857 N GLY A 56 3.608 3.539 7.733 1.00 1.30 N ATOM 858 CA GLY A 56 3.598 4.725 8.570 1.00 1.34 C ATOM 859 C GLY A 56 4.281 5.888 7.878 1.00 1.42 C ATOM 860 O GLY A 56 4.981 6.682 8.504 1.00 1.55 O ATOM 0 H GLY A 56 2.702 3.279 7.344 1.00 1.30 H new ATOM 0 HA2 GLY A 56 2.570 4.995 8.811 1.00 1.34 H new ATOM 0 HA3 GLY A 56 4.102 4.512 9.513 1.00 1.34 H new ATOM 864 N VAL A 57 4.066 5.977 6.575 1.00 1.37 N ATOM 865 CA VAL A 57 4.668 7.017 5.754 1.00 1.46 C ATOM 866 C VAL A 57 3.596 7.971 5.237 1.00 1.37 C ATOM 867 O VAL A 57 2.533 7.526 4.817 1.00 1.26 O ATOM 868 CB VAL A 57 5.420 6.387 4.555 1.00 1.55 C ATOM 869 CG1 VAL A 57 5.925 7.442 3.582 1.00 1.70 C ATOM 870 CG2 VAL A 57 6.569 5.531 5.047 1.00 1.63 C ATOM 0 H VAL A 57 3.470 5.331 6.057 1.00 1.37 H new ATOM 0 HA VAL A 57 5.375 7.573 6.369 1.00 1.46 H new ATOM 0 HB VAL A 57 4.710 5.759 4.016 1.00 1.55 H new ATOM 0 HG11 VAL A 57 6.446 6.956 2.757 1.00 1.70 H new ATOM 0 HG12 VAL A 57 5.081 8.012 3.193 1.00 1.70 H new ATOM 0 HG13 VAL A 57 6.610 8.115 4.098 1.00 1.70 H new ATOM 0 HG21 VAL A 57 7.089 5.094 4.194 1.00 1.63 H new ATOM 0 HG22 VAL A 57 7.263 6.147 5.618 1.00 1.63 H new ATOM 0 HG23 VAL A 57 6.183 4.734 5.683 1.00 1.63 H new ATOM 880 N PRO A 58 3.849 9.291 5.294 1.00 1.45 N ATOM 881 CA PRO A 58 2.903 10.302 4.805 1.00 1.41 C ATOM 882 C PRO A 58 2.624 10.151 3.307 1.00 1.35 C ATOM 883 O PRO A 58 3.472 9.669 2.551 1.00 1.39 O ATOM 884 CB PRO A 58 3.603 11.635 5.097 1.00 1.56 C ATOM 885 CG PRO A 58 5.039 11.291 5.290 1.00 1.67 C ATOM 886 CD PRO A 58 5.062 9.904 5.858 1.00 1.63 C ATOM 0 HA PRO A 58 1.929 10.215 5.287 1.00 1.41 H new ATOM 0 HB2 PRO A 58 3.474 12.336 4.272 1.00 1.56 H new ATOM 0 HB3 PRO A 58 3.189 12.110 5.987 1.00 1.56 H new ATOM 0 HG2 PRO A 58 5.580 11.334 4.345 1.00 1.67 H new ATOM 0 HG3 PRO A 58 5.521 11.997 5.966 1.00 1.67 H new ATOM 0 HD2 PRO A 58 5.961 9.363 5.563 1.00 1.63 H new ATOM 0 HD3 PRO A 58 5.039 9.914 6.948 1.00 1.63 H new ATOM 894 N LEU A 59 1.437 10.581 2.892 1.00 1.29 N ATOM 895 CA LEU A 59 1.002 10.478 1.495 1.00 1.26 C ATOM 896 C LEU A 59 1.981 11.121 0.497 1.00 1.34 C ATOM 897 O LEU A 59 2.382 10.465 -0.460 1.00 1.35 O ATOM 898 CB LEU A 59 -0.397 11.092 1.310 1.00 1.25 C ATOM 899 CG LEU A 59 -1.370 10.883 2.471 1.00 1.25 C ATOM 900 CD1 LEU A 59 -2.699 11.568 2.183 1.00 1.27 C ATOM 901 CD2 LEU A 59 -1.575 9.400 2.737 1.00 1.54 C ATOM 0 H LEU A 59 0.748 11.010 3.509 1.00 1.29 H new ATOM 0 HA LEU A 59 0.973 9.411 1.274 1.00 1.26 H new ATOM 0 HB2 LEU A 59 -0.285 12.163 1.142 1.00 1.25 H new ATOM 0 HB3 LEU A 59 -0.841 10.673 0.407 1.00 1.25 H new ATOM 0 HG LEU A 59 -0.940 11.333 3.366 1.00 1.25 H new ATOM 0 HD11 LEU A 59 -3.379 11.409 3.020 1.00 1.27 H new ATOM 0 HD12 LEU A 59 -2.535 12.637 2.047 1.00 1.27 H new ATOM 0 HD13 LEU A 59 -3.135 11.149 1.276 1.00 1.27 H new ATOM 0 HD21 LEU A 59 -2.270 9.272 3.567 1.00 1.54 H new ATOM 0 HD22 LEU A 59 -1.982 8.923 1.845 1.00 1.54 H new ATOM 0 HD23 LEU A 59 -0.620 8.940 2.990 1.00 1.54 H new ATOM 913 N PRO A 60 2.401 12.395 0.697 1.00 1.42 N ATOM 914 CA PRO A 60 3.312 13.088 -0.237 1.00 1.52 C ATOM 915 C PRO A 60 4.686 12.430 -0.399 1.00 1.60 C ATOM 916 O PRO A 60 5.486 12.865 -1.229 1.00 1.79 O ATOM 917 CB PRO A 60 3.480 14.480 0.380 1.00 1.61 C ATOM 918 CG PRO A 60 2.309 14.644 1.278 1.00 1.56 C ATOM 919 CD PRO A 60 2.026 13.276 1.819 1.00 1.46 C ATOM 0 HA PRO A 60 2.890 13.077 -1.242 1.00 1.52 H new ATOM 0 HB2 PRO A 60 4.416 14.556 0.933 1.00 1.61 H new ATOM 0 HB3 PRO A 60 3.500 15.253 -0.388 1.00 1.61 H new ATOM 0 HG2 PRO A 60 2.526 15.347 2.082 1.00 1.56 H new ATOM 0 HG3 PRO A 60 1.450 15.037 0.735 1.00 1.56 H new ATOM 0 HD2 PRO A 60 2.614 13.065 2.712 1.00 1.46 H new ATOM 0 HD3 PRO A 60 0.977 13.158 2.092 1.00 1.46 H new ATOM 927 N PHE A 61 4.960 11.386 0.370 1.00 1.55 N ATOM 928 CA PHE A 61 6.248 10.708 0.285 1.00 1.63 C ATOM 929 C PHE A 61 6.169 9.463 -0.595 1.00 1.59 C ATOM 930 O PHE A 61 7.187 8.825 -0.872 1.00 1.70 O ATOM 931 CB PHE A 61 6.744 10.333 1.681 1.00 1.66 C ATOM 932 CG PHE A 61 7.558 11.409 2.340 1.00 1.80 C ATOM 933 CD1 PHE A 61 6.994 12.638 2.648 1.00 1.95 C ATOM 934 CD2 PHE A 61 8.888 11.194 2.659 1.00 2.00 C ATOM 935 CE1 PHE A 61 7.741 13.628 3.257 1.00 2.23 C ATOM 936 CE2 PHE A 61 9.640 12.180 3.268 1.00 2.25 C ATOM 937 CZ PHE A 61 9.065 13.399 3.568 1.00 2.34 C ATOM 0 H PHE A 61 4.315 10.992 1.055 1.00 1.55 H new ATOM 0 HA PHE A 61 6.956 11.399 -0.173 1.00 1.63 H new ATOM 0 HB2 PHE A 61 5.886 10.101 2.312 1.00 1.66 H new ATOM 0 HB3 PHE A 61 7.344 9.426 1.612 1.00 1.66 H new ATOM 0 HD1 PHE A 61 5.957 12.824 2.409 1.00 1.95 H new ATOM 0 HD2 PHE A 61 9.344 10.242 2.429 1.00 2.00 H new ATOM 0 HE1 PHE A 61 7.288 14.581 3.489 1.00 2.23 H new ATOM 0 HE2 PHE A 61 10.677 11.998 3.509 1.00 2.25 H new ATOM 0 HZ PHE A 61 9.651 14.171 4.045 1.00 2.34 H new ATOM 947 N GLN A 62 4.965 9.122 -1.041 1.00 1.47 N ATOM 948 CA GLN A 62 4.779 7.947 -1.883 1.00 1.44 C ATOM 949 C GLN A 62 3.809 8.233 -3.030 1.00 1.40 C ATOM 950 O GLN A 62 2.652 8.596 -2.815 1.00 1.55 O ATOM 951 CB GLN A 62 4.298 6.755 -1.049 1.00 1.38 C ATOM 952 CG GLN A 62 3.156 7.076 -0.107 1.00 1.35 C ATOM 953 CD GLN A 62 3.184 6.232 1.151 1.00 1.64 C ATOM 954 OE1 GLN A 62 3.702 5.110 1.165 1.00 2.14 O ATOM 955 NE2 GLN A 62 2.630 6.766 2.221 1.00 1.66 N ATOM 0 H GLN A 62 4.110 9.638 -0.835 1.00 1.47 H new ATOM 0 HA GLN A 62 5.745 7.694 -2.321 1.00 1.44 H new ATOM 0 HB2 GLN A 62 3.985 5.957 -1.723 1.00 1.38 H new ATOM 0 HB3 GLN A 62 5.136 6.371 -0.468 1.00 1.38 H new ATOM 0 HG2 GLN A 62 3.201 8.130 0.166 1.00 1.35 H new ATOM 0 HG3 GLN A 62 2.209 6.920 -0.624 1.00 1.35 H new ATOM 0 HE21 GLN A 62 2.212 7.695 2.169 1.00 1.66 H new ATOM 0 HE22 GLN A 62 2.619 6.250 3.101 1.00 1.66 H new ATOM 964 N LYS A 63 4.297 8.066 -4.249 1.00 1.42 N ATOM 965 CA LYS A 63 3.496 8.311 -5.438 1.00 1.38 C ATOM 966 C LYS A 63 2.582 7.125 -5.738 1.00 1.27 C ATOM 967 O LYS A 63 2.971 6.191 -6.437 1.00 1.31 O ATOM 968 CB LYS A 63 4.407 8.586 -6.635 1.00 1.51 C ATOM 969 CG LYS A 63 3.701 9.245 -7.808 1.00 1.64 C ATOM 970 CD LYS A 63 4.623 9.356 -9.011 1.00 1.73 C ATOM 971 CE LYS A 63 4.123 10.394 -9.999 1.00 1.94 C ATOM 972 NZ LYS A 63 4.330 11.778 -9.497 1.00 2.29 N ATOM 0 H LYS A 63 5.251 7.760 -4.442 1.00 1.42 H new ATOM 0 HA LYS A 63 2.871 9.184 -5.253 1.00 1.38 H new ATOM 0 HB2 LYS A 63 5.230 9.225 -6.314 1.00 1.51 H new ATOM 0 HB3 LYS A 63 4.845 7.646 -6.969 1.00 1.51 H new ATOM 0 HG2 LYS A 63 2.817 8.666 -8.076 1.00 1.64 H new ATOM 0 HG3 LYS A 63 3.356 10.237 -7.518 1.00 1.64 H new ATOM 0 HD2 LYS A 63 5.627 9.622 -8.679 1.00 1.73 H new ATOM 0 HD3 LYS A 63 4.697 8.387 -9.505 1.00 1.73 H new ATOM 0 HE2 LYS A 63 4.642 10.271 -10.950 1.00 1.94 H new ATOM 0 HE3 LYS A 63 3.062 10.232 -10.191 1.00 1.94 H new ATOM 0 HZ1 LYS A 63 4.218 12.452 -10.281 1.00 2.29 H new ATOM 0 HZ2 LYS A 63 3.629 11.988 -8.758 1.00 2.29 H new ATOM 0 HZ3 LYS A 63 5.288 11.864 -9.100 1.00 2.29 H new ATOM 986 N LEU A 64 1.379 7.163 -5.182 1.00 1.16 N ATOM 987 CA LEU A 64 0.396 6.106 -5.390 1.00 1.06 C ATOM 988 C LEU A 64 -0.245 6.246 -6.772 1.00 1.05 C ATOM 989 O LEU A 64 -0.811 7.291 -7.098 1.00 1.06 O ATOM 990 CB LEU A 64 -0.676 6.172 -4.285 1.00 0.98 C ATOM 991 CG LEU A 64 -1.737 5.056 -4.279 1.00 0.91 C ATOM 992 CD1 LEU A 64 -2.901 5.403 -5.195 1.00 0.99 C ATOM 993 CD2 LEU A 64 -1.130 3.716 -4.667 1.00 1.06 C ATOM 0 H LEU A 64 1.058 7.920 -4.579 1.00 1.16 H new ATOM 0 HA LEU A 64 0.893 5.137 -5.341 1.00 1.06 H new ATOM 0 HB2 LEU A 64 -0.170 6.164 -3.320 1.00 0.98 H new ATOM 0 HB3 LEU A 64 -1.191 7.129 -4.368 1.00 0.98 H new ATOM 0 HG LEU A 64 -2.119 4.971 -3.262 1.00 0.91 H new ATOM 0 HD11 LEU A 64 -3.635 4.598 -5.171 1.00 0.99 H new ATOM 0 HD12 LEU A 64 -3.367 6.329 -4.857 1.00 0.99 H new ATOM 0 HD13 LEU A 64 -2.536 5.532 -6.214 1.00 0.99 H new ATOM 0 HD21 LEU A 64 -1.904 2.948 -4.654 1.00 1.06 H new ATOM 0 HD22 LEU A 64 -0.705 3.785 -5.668 1.00 1.06 H new ATOM 0 HD23 LEU A 64 -0.346 3.453 -3.957 1.00 1.06 H new ATOM 1005 N ILE A 65 -0.137 5.197 -7.579 1.00 1.07 N ATOM 1006 CA ILE A 65 -0.716 5.192 -8.920 1.00 1.08 C ATOM 1007 C ILE A 65 -1.455 3.877 -9.177 1.00 1.05 C ATOM 1008 O ILE A 65 -0.925 2.965 -9.817 1.00 1.15 O ATOM 1009 CB ILE A 65 0.354 5.390 -10.021 1.00 1.22 C ATOM 1010 CG1 ILE A 65 1.350 6.487 -9.630 1.00 1.27 C ATOM 1011 CG2 ILE A 65 -0.312 5.735 -11.347 1.00 1.42 C ATOM 1012 CD1 ILE A 65 2.508 6.622 -10.591 1.00 1.42 C ATOM 0 H ILE A 65 0.348 4.335 -7.328 1.00 1.07 H new ATOM 0 HA ILE A 65 -1.412 6.030 -8.965 1.00 1.08 H new ATOM 0 HB ILE A 65 0.903 4.455 -10.131 1.00 1.22 H new ATOM 0 HG12 ILE A 65 0.824 7.440 -9.572 1.00 1.27 H new ATOM 0 HG13 ILE A 65 1.738 6.276 -8.634 1.00 1.27 H new ATOM 0 HG21 ILE A 65 0.451 5.872 -12.113 1.00 1.42 H new ATOM 0 HG22 ILE A 65 -0.980 4.925 -11.641 1.00 1.42 H new ATOM 0 HG23 ILE A 65 -0.885 6.656 -11.238 1.00 1.42 H new ATOM 0 HD11 ILE A 65 3.172 7.417 -10.251 1.00 1.42 H new ATOM 0 HD12 ILE A 65 3.058 5.682 -10.632 1.00 1.42 H new ATOM 0 HD13 ILE A 65 2.130 6.864 -11.584 1.00 1.42 H new ATOM 1024 N PHE A 66 -2.672 3.773 -8.654 1.00 0.93 N ATOM 1025 CA PHE A 66 -3.489 2.577 -8.829 1.00 0.91 C ATOM 1026 C PHE A 66 -4.949 2.900 -8.542 1.00 0.84 C ATOM 1027 O PHE A 66 -5.263 4.021 -8.140 1.00 0.81 O ATOM 1028 CB PHE A 66 -3.011 1.445 -7.916 1.00 0.89 C ATOM 1029 CG PHE A 66 -2.810 0.141 -8.638 1.00 0.97 C ATOM 1030 CD1 PHE A 66 -1.585 -0.162 -9.210 1.00 1.20 C ATOM 1031 CD2 PHE A 66 -3.839 -0.781 -8.743 1.00 1.24 C ATOM 1032 CE1 PHE A 66 -1.390 -1.357 -9.874 1.00 1.28 C ATOM 1033 CE2 PHE A 66 -3.651 -1.978 -9.406 1.00 1.32 C ATOM 1034 CZ PHE A 66 -2.423 -2.268 -9.970 1.00 1.16 C ATOM 0 H PHE A 66 -3.117 4.507 -8.102 1.00 0.93 H new ATOM 0 HA PHE A 66 -3.390 2.243 -9.862 1.00 0.91 H new ATOM 0 HB2 PHE A 66 -2.073 1.739 -7.445 1.00 0.89 H new ATOM 0 HB3 PHE A 66 -3.738 1.301 -7.117 1.00 0.89 H new ATOM 0 HD1 PHE A 66 -0.772 0.545 -9.136 1.00 1.20 H new ATOM 0 HD2 PHE A 66 -4.800 -0.561 -8.301 1.00 1.24 H new ATOM 0 HE1 PHE A 66 -0.431 -1.579 -10.318 1.00 1.28 H new ATOM 0 HE2 PHE A 66 -4.463 -2.686 -9.484 1.00 1.32 H new ATOM 0 HZ PHE A 66 -2.272 -3.205 -10.485 1.00 1.16 H new ATOM 1044 N LYS A 67 -5.833 1.922 -8.763 1.00 0.87 N ATOM 1045 CA LYS A 67 -7.275 2.097 -8.549 1.00 0.89 C ATOM 1046 C LYS A 67 -7.828 3.156 -9.502 1.00 0.84 C ATOM 1047 O LYS A 67 -8.929 3.676 -9.299 1.00 0.84 O ATOM 1048 CB LYS A 67 -7.586 2.505 -7.098 1.00 1.00 C ATOM 1049 CG LYS A 67 -7.315 1.424 -6.058 1.00 0.69 C ATOM 1050 CD LYS A 67 -7.828 1.847 -4.684 1.00 0.72 C ATOM 1051 CE LYS A 67 -7.646 0.757 -3.636 1.00 0.72 C ATOM 1052 NZ LYS A 67 -8.736 0.770 -2.613 1.00 0.54 N ATOM 0 H LYS A 67 -5.573 0.993 -9.093 1.00 0.87 H new ATOM 0 HA LYS A 67 -7.753 1.138 -8.747 1.00 0.89 H new ATOM 0 HB2 LYS A 67 -6.995 3.386 -6.848 1.00 1.00 H new ATOM 0 HB3 LYS A 67 -8.634 2.796 -7.034 1.00 1.00 H new ATOM 0 HG2 LYS A 67 -7.797 0.494 -6.360 1.00 0.69 H new ATOM 0 HG3 LYS A 67 -6.245 1.225 -6.005 1.00 0.69 H new ATOM 0 HD2 LYS A 67 -7.302 2.747 -4.364 1.00 0.72 H new ATOM 0 HD3 LYS A 67 -8.885 2.104 -4.757 1.00 0.72 H new ATOM 0 HE2 LYS A 67 -7.622 -0.216 -4.127 1.00 0.72 H new ATOM 0 HE3 LYS A 67 -6.684 0.888 -3.141 1.00 0.72 H new ATOM 0 HZ1 LYS A 67 -8.798 -0.164 -2.160 1.00 0.54 H new ATOM 0 HZ2 LYS A 67 -8.528 1.491 -1.893 1.00 0.54 H new ATOM 0 HZ3 LYS A 67 -9.642 0.992 -3.073 1.00 0.54 H new ATOM 1066 N GLY A 68 -7.063 3.458 -10.548 1.00 0.89 N ATOM 1067 CA GLY A 68 -7.466 4.476 -11.494 1.00 0.93 C ATOM 1068 C GLY A 68 -7.440 5.846 -10.855 1.00 0.94 C ATOM 1069 O GLY A 68 -8.179 6.748 -11.252 1.00 1.05 O ATOM 0 H GLY A 68 -6.169 3.012 -10.755 1.00 0.89 H new ATOM 0 HA2 GLY A 68 -6.801 4.460 -12.357 1.00 0.93 H new ATOM 0 HA3 GLY A 68 -8.469 4.260 -11.861 1.00 0.93 H new ATOM 1073 N LYS A 69 -6.591 5.992 -9.846 1.00 0.89 N ATOM 1074 CA LYS A 69 -6.465 7.241 -9.115 1.00 0.93 C ATOM 1075 C LYS A 69 -5.003 7.536 -8.803 1.00 0.96 C ATOM 1076 O LYS A 69 -4.102 6.838 -9.270 1.00 1.05 O ATOM 1077 CB LYS A 69 -7.245 7.160 -7.801 1.00 0.92 C ATOM 1078 CG LYS A 69 -8.747 7.006 -7.968 1.00 1.07 C ATOM 1079 CD LYS A 69 -9.391 6.473 -6.701 1.00 0.93 C ATOM 1080 CE LYS A 69 -10.865 6.829 -6.633 1.00 1.24 C ATOM 1081 NZ LYS A 69 -11.585 6.479 -7.884 1.00 1.50 N ATOM 0 H LYS A 69 -5.974 5.250 -9.514 1.00 0.89 H new ATOM 0 HA LYS A 69 -6.868 8.040 -9.737 1.00 0.93 H new ATOM 0 HB2 LYS A 69 -6.868 6.317 -7.221 1.00 0.92 H new ATOM 0 HB3 LYS A 69 -7.047 8.061 -7.220 1.00 0.92 H new ATOM 0 HG2 LYS A 69 -9.187 7.970 -8.225 1.00 1.07 H new ATOM 0 HG3 LYS A 69 -8.955 6.329 -8.797 1.00 1.07 H new ATOM 0 HD2 LYS A 69 -9.275 5.390 -6.661 1.00 0.93 H new ATOM 0 HD3 LYS A 69 -8.877 6.881 -5.831 1.00 0.93 H new ATOM 0 HE2 LYS A 69 -11.325 6.308 -5.793 1.00 1.24 H new ATOM 0 HE3 LYS A 69 -10.971 7.897 -6.442 1.00 1.24 H new ATOM 0 HZ1 LYS A 69 -12.607 6.613 -7.745 1.00 1.50 H new ATOM 0 HZ2 LYS A 69 -11.257 7.093 -8.657 1.00 1.50 H new ATOM 0 HZ3 LYS A 69 -11.396 5.486 -8.127 1.00 1.50 H new ATOM 1095 N SER A 70 -4.790 8.563 -7.997 1.00 0.95 N ATOM 1096 CA SER A 70 -3.459 8.964 -7.584 1.00 1.00 C ATOM 1097 C SER A 70 -3.498 9.310 -6.103 1.00 0.93 C ATOM 1098 O SER A 70 -4.579 9.381 -5.518 1.00 0.89 O ATOM 1099 CB SER A 70 -2.984 10.167 -8.405 1.00 1.17 C ATOM 1100 OG SER A 70 -1.566 10.206 -8.493 1.00 1.46 O ATOM 0 H SER A 70 -5.537 9.141 -7.611 1.00 0.95 H new ATOM 0 HA SER A 70 -2.757 8.148 -7.753 1.00 1.00 H new ATOM 0 HB2 SER A 70 -3.411 10.118 -9.407 1.00 1.17 H new ATOM 0 HB3 SER A 70 -3.347 11.088 -7.948 1.00 1.17 H new ATOM 0 HG SER A 70 -1.292 10.983 -9.024 1.00 1.46 H new ATOM 1106 N LEU A 71 -2.334 9.516 -5.502 1.00 1.01 N ATOM 1107 CA LEU A 71 -2.246 9.849 -4.084 1.00 0.99 C ATOM 1108 C LEU A 71 -3.001 11.143 -3.773 1.00 1.00 C ATOM 1109 O LEU A 71 -2.619 12.224 -4.214 1.00 1.13 O ATOM 1110 CB LEU A 71 -0.778 9.958 -3.638 1.00 1.11 C ATOM 1111 CG LEU A 71 0.053 11.050 -4.321 1.00 1.24 C ATOM 1112 CD1 LEU A 71 1.201 11.485 -3.428 1.00 1.35 C ATOM 1113 CD2 LEU A 71 0.586 10.565 -5.659 1.00 1.28 C ATOM 0 H LEU A 71 -1.433 9.458 -5.976 1.00 1.01 H new ATOM 0 HA LEU A 71 -2.716 9.041 -3.523 1.00 0.99 H new ATOM 0 HB2 LEU A 71 -0.758 10.133 -2.562 1.00 1.11 H new ATOM 0 HB3 LEU A 71 -0.294 8.997 -3.813 1.00 1.11 H new ATOM 0 HG LEU A 71 -0.597 11.907 -4.497 1.00 1.24 H new ATOM 0 HD11 LEU A 71 1.779 12.261 -3.930 1.00 1.35 H new ATOM 0 HD12 LEU A 71 0.805 11.877 -2.491 1.00 1.35 H new ATOM 0 HD13 LEU A 71 1.844 10.630 -3.220 1.00 1.35 H new ATOM 0 HD21 LEU A 71 1.173 11.356 -6.125 1.00 1.28 H new ATOM 0 HD22 LEU A 71 1.216 9.689 -5.504 1.00 1.28 H new ATOM 0 HD23 LEU A 71 -0.248 10.301 -6.309 1.00 1.28 H new ATOM 1125 N LYS A 72 -4.092 11.014 -3.027 1.00 0.95 N ATOM 1126 CA LYS A 72 -4.910 12.160 -2.660 1.00 0.99 C ATOM 1127 C LYS A 72 -5.885 11.778 -1.556 1.00 0.95 C ATOM 1128 O LYS A 72 -6.236 10.607 -1.410 1.00 0.92 O ATOM 1129 CB LYS A 72 -5.689 12.666 -3.877 1.00 1.02 C ATOM 1130 CG LYS A 72 -5.555 14.160 -4.121 1.00 1.22 C ATOM 1131 CD LYS A 72 -6.338 14.580 -5.353 1.00 1.29 C ATOM 1132 CE LYS A 72 -5.680 15.753 -6.058 1.00 1.62 C ATOM 1133 NZ LYS A 72 -6.428 16.146 -7.281 1.00 1.90 N ATOM 0 H LYS A 72 -4.430 10.123 -2.664 1.00 0.95 H new ATOM 0 HA LYS A 72 -4.253 12.952 -2.300 1.00 0.99 H new ATOM 0 HB2 LYS A 72 -5.346 12.132 -4.763 1.00 1.02 H new ATOM 0 HB3 LYS A 72 -6.744 12.423 -3.747 1.00 1.02 H new ATOM 0 HG2 LYS A 72 -5.916 14.709 -3.251 1.00 1.22 H new ATOM 0 HG3 LYS A 72 -4.504 14.419 -4.247 1.00 1.22 H new ATOM 0 HD2 LYS A 72 -6.415 13.738 -6.041 1.00 1.29 H new ATOM 0 HD3 LYS A 72 -7.354 14.851 -5.065 1.00 1.29 H new ATOM 0 HE2 LYS A 72 -5.623 16.602 -5.377 1.00 1.62 H new ATOM 0 HE3 LYS A 72 -4.657 15.490 -6.326 1.00 1.62 H new ATOM 0 HZ1 LYS A 72 -5.760 16.480 -8.004 1.00 1.90 H new ATOM 0 HZ2 LYS A 72 -6.952 15.325 -7.646 1.00 1.90 H new ATOM 0 HZ3 LYS A 72 -7.096 16.908 -7.049 1.00 1.90 H new ATOM 1147 N GLU A 73 -6.299 12.767 -0.777 1.00 1.00 N ATOM 1148 CA GLU A 73 -7.251 12.555 0.304 1.00 1.01 C ATOM 1149 C GLU A 73 -8.650 12.354 -0.267 1.00 0.98 C ATOM 1150 O GLU A 73 -9.513 11.753 0.366 1.00 1.01 O ATOM 1151 CB GLU A 73 -7.236 13.747 1.270 1.00 1.14 C ATOM 1152 CG GLU A 73 -5.906 13.943 1.985 1.00 1.33 C ATOM 1153 CD GLU A 73 -4.923 14.798 1.209 1.00 1.55 C ATOM 1154 OE1 GLU A 73 -5.119 15.005 -0.008 1.00 1.66 O ATOM 1155 OE2 GLU A 73 -3.945 15.275 1.817 1.00 1.98 O ATOM 0 H GLU A 73 -5.987 13.733 -0.875 1.00 1.00 H new ATOM 0 HA GLU A 73 -6.963 11.660 0.856 1.00 1.01 H new ATOM 0 HB2 GLU A 73 -7.477 14.654 0.716 1.00 1.14 H new ATOM 0 HB3 GLU A 73 -8.021 13.610 2.014 1.00 1.14 H new ATOM 0 HG2 GLU A 73 -6.089 14.404 2.956 1.00 1.33 H new ATOM 0 HG3 GLU A 73 -5.457 12.968 2.174 1.00 1.33 H new ATOM 1162 N MET A 74 -8.862 12.878 -1.466 1.00 1.01 N ATOM 1163 CA MET A 74 -10.138 12.758 -2.157 1.00 1.03 C ATOM 1164 C MET A 74 -9.970 13.175 -3.610 1.00 1.05 C ATOM 1165 O MET A 74 -9.453 14.255 -3.900 1.00 1.16 O ATOM 1166 CB MET A 74 -11.238 13.586 -1.467 1.00 1.15 C ATOM 1167 CG MET A 74 -10.863 15.035 -1.184 1.00 1.26 C ATOM 1168 SD MET A 74 -12.067 15.860 -0.124 1.00 1.65 S ATOM 1169 CE MET A 74 -11.524 17.562 -0.246 1.00 1.77 C ATOM 0 H MET A 74 -8.155 13.398 -1.987 1.00 1.01 H new ATOM 0 HA MET A 74 -10.456 11.716 -2.119 1.00 1.03 H new ATOM 0 HB2 MET A 74 -12.130 13.572 -2.093 1.00 1.15 H new ATOM 0 HB3 MET A 74 -11.501 13.103 -0.526 1.00 1.15 H new ATOM 0 HG2 MET A 74 -9.882 15.068 -0.710 1.00 1.26 H new ATOM 0 HG3 MET A 74 -10.780 15.577 -2.126 1.00 1.26 H new ATOM 0 HE1 MET A 74 -12.174 18.195 0.358 1.00 1.77 H new ATOM 0 HE2 MET A 74 -10.499 17.644 0.116 1.00 1.77 H new ATOM 0 HE3 MET A 74 -11.568 17.884 -1.286 1.00 1.77 H new ATOM 1179 N GLU A 75 -10.380 12.305 -4.522 1.00 1.07 N ATOM 1180 CA GLU A 75 -10.251 12.580 -5.944 1.00 1.14 C ATOM 1181 C GLU A 75 -11.531 12.211 -6.694 1.00 1.13 C ATOM 1182 O GLU A 75 -12.424 13.041 -6.859 1.00 1.31 O ATOM 1183 CB GLU A 75 -9.041 11.817 -6.511 1.00 1.16 C ATOM 1184 CG GLU A 75 -8.829 11.995 -8.010 1.00 1.28 C ATOM 1185 CD GLU A 75 -8.675 13.443 -8.421 1.00 1.49 C ATOM 1186 OE1 GLU A 75 -7.543 13.971 -8.362 1.00 1.65 O ATOM 1187 OE2 GLU A 75 -9.685 14.058 -8.816 1.00 1.89 O ATOM 0 H GLU A 75 -10.804 11.404 -4.302 1.00 1.07 H new ATOM 0 HA GLU A 75 -10.090 13.649 -6.081 1.00 1.14 H new ATOM 0 HB2 GLU A 75 -8.143 12.145 -5.988 1.00 1.16 H new ATOM 0 HB3 GLU A 75 -9.164 10.755 -6.298 1.00 1.16 H new ATOM 0 HG2 GLU A 75 -7.940 11.441 -8.313 1.00 1.28 H new ATOM 0 HG3 GLU A 75 -9.674 11.560 -8.544 1.00 1.28 H new ATOM 1194 N THR A 76 -11.622 10.965 -7.127 1.00 1.06 N ATOM 1195 CA THR A 76 -12.777 10.496 -7.872 1.00 1.09 C ATOM 1196 C THR A 76 -13.747 9.740 -6.960 1.00 1.04 C ATOM 1197 O THR A 76 -13.374 9.368 -5.844 1.00 0.98 O ATOM 1198 CB THR A 76 -12.318 9.595 -9.036 1.00 1.13 C ATOM 1199 OG1 THR A 76 -10.996 9.107 -8.772 1.00 1.07 O ATOM 1200 CG2 THR A 76 -12.311 10.357 -10.356 1.00 1.29 C ATOM 0 H THR A 76 -10.905 10.256 -6.974 1.00 1.06 H new ATOM 0 HA THR A 76 -13.303 11.361 -8.277 1.00 1.09 H new ATOM 0 HB THR A 76 -13.020 8.765 -9.117 1.00 1.13 H new ATOM 0 HG1 THR A 76 -10.583 8.812 -9.610 1.00 1.07 H new ATOM 0 HG21 THR A 76 -11.983 9.694 -11.157 1.00 1.29 H new ATOM 0 HG22 THR A 76 -13.316 10.718 -10.573 1.00 1.29 H new ATOM 0 HG23 THR A 76 -11.629 11.204 -10.284 1.00 1.29 H new ATOM 1208 N PRO A 77 -15.004 9.525 -7.429 1.00 1.12 N ATOM 1209 CA PRO A 77 -16.070 8.829 -6.696 1.00 1.14 C ATOM 1210 C PRO A 77 -15.588 7.669 -5.822 1.00 1.01 C ATOM 1211 O PRO A 77 -14.688 6.909 -6.201 1.00 0.94 O ATOM 1212 CB PRO A 77 -16.992 8.306 -7.812 1.00 1.26 C ATOM 1213 CG PRO A 77 -16.481 8.889 -9.096 1.00 1.36 C ATOM 1214 CD PRO A 77 -15.513 9.978 -8.723 1.00 1.24 C ATOM 0 HA PRO A 77 -16.549 9.506 -5.988 1.00 1.14 H new ATOM 0 HB2 PRO A 77 -16.978 7.217 -7.848 1.00 1.26 H new ATOM 0 HB3 PRO A 77 -18.025 8.606 -7.634 1.00 1.26 H new ATOM 0 HG2 PRO A 77 -15.990 8.125 -9.699 1.00 1.36 H new ATOM 0 HG3 PRO A 77 -17.301 9.288 -9.693 1.00 1.36 H new ATOM 0 HD2 PRO A 77 -14.715 10.080 -9.459 1.00 1.24 H new ATOM 0 HD3 PRO A 77 -16.004 10.948 -8.648 1.00 1.24 H new ATOM 1222 N LEU A 78 -16.236 7.521 -4.669 1.00 1.03 N ATOM 1223 CA LEU A 78 -15.902 6.482 -3.697 1.00 0.97 C ATOM 1224 C LEU A 78 -16.200 5.092 -4.248 1.00 0.95 C ATOM 1225 O LEU A 78 -15.492 4.131 -3.952 1.00 0.87 O ATOM 1226 CB LEU A 78 -16.681 6.700 -2.397 1.00 1.07 C ATOM 1227 CG LEU A 78 -16.291 7.947 -1.596 1.00 1.18 C ATOM 1228 CD1 LEU A 78 -17.019 9.181 -2.112 1.00 1.65 C ATOM 1229 CD2 LEU A 78 -16.585 7.740 -0.120 1.00 1.22 C ATOM 0 H LEU A 78 -17.010 8.120 -4.381 1.00 1.03 H new ATOM 0 HA LEU A 78 -14.833 6.549 -3.494 1.00 0.97 H new ATOM 0 HB2 LEU A 78 -17.743 6.760 -2.636 1.00 1.07 H new ATOM 0 HB3 LEU A 78 -16.546 5.825 -1.762 1.00 1.07 H new ATOM 0 HG LEU A 78 -15.221 8.108 -1.723 1.00 1.18 H new ATOM 0 HD11 LEU A 78 -16.723 10.050 -1.525 1.00 1.65 H new ATOM 0 HD12 LEU A 78 -16.761 9.345 -3.158 1.00 1.65 H new ATOM 0 HD13 LEU A 78 -18.095 9.033 -2.023 1.00 1.65 H new ATOM 0 HD21 LEU A 78 -16.303 8.634 0.436 1.00 1.22 H new ATOM 0 HD22 LEU A 78 -17.650 7.549 0.016 1.00 1.22 H new ATOM 0 HD23 LEU A 78 -16.014 6.888 0.249 1.00 1.22 H new ATOM 1241 N SER A 79 -17.236 4.991 -5.071 1.00 1.07 N ATOM 1242 CA SER A 79 -17.609 3.714 -5.668 1.00 1.12 C ATOM 1243 C SER A 79 -16.547 3.261 -6.671 1.00 1.00 C ATOM 1244 O SER A 79 -16.573 2.135 -7.164 1.00 1.04 O ATOM 1245 CB SER A 79 -18.972 3.833 -6.343 1.00 1.31 C ATOM 1246 OG SER A 79 -19.863 4.592 -5.543 1.00 1.68 O ATOM 0 H SER A 79 -17.831 5.774 -5.340 1.00 1.07 H new ATOM 0 HA SER A 79 -17.674 2.963 -4.881 1.00 1.12 H new ATOM 0 HB2 SER A 79 -18.860 4.305 -7.319 1.00 1.31 H new ATOM 0 HB3 SER A 79 -19.386 2.840 -6.515 1.00 1.31 H new ATOM 0 HG SER A 79 -19.539 4.609 -4.618 1.00 1.68 H new ATOM 1252 N ALA A 80 -15.608 4.153 -6.954 1.00 0.93 N ATOM 1253 CA ALA A 80 -14.523 3.866 -7.875 1.00 0.88 C ATOM 1254 C ALA A 80 -13.214 3.704 -7.105 1.00 0.74 C ATOM 1255 O ALA A 80 -12.128 3.761 -7.682 1.00 0.81 O ATOM 1256 CB ALA A 80 -14.398 4.976 -8.909 1.00 1.02 C ATOM 0 H ALA A 80 -15.579 5.090 -6.553 1.00 0.93 H new ATOM 0 HA ALA A 80 -14.741 2.934 -8.396 1.00 0.88 H new ATOM 0 HB1 ALA A 80 -13.580 4.746 -9.592 1.00 1.02 H new ATOM 0 HB2 ALA A 80 -15.329 5.056 -9.471 1.00 1.02 H new ATOM 0 HB3 ALA A 80 -14.195 5.921 -8.405 1.00 1.02 H new ATOM 1262 N LEU A 81 -13.328 3.511 -5.794 1.00 0.66 N ATOM 1263 CA LEU A 81 -12.163 3.332 -4.929 1.00 0.55 C ATOM 1264 C LEU A 81 -11.711 1.875 -4.936 1.00 0.52 C ATOM 1265 O LEU A 81 -10.912 1.457 -4.097 1.00 0.56 O ATOM 1266 CB LEU A 81 -12.494 3.751 -3.489 1.00 0.59 C ATOM 1267 CG LEU A 81 -11.692 4.932 -2.925 1.00 0.59 C ATOM 1268 CD1 LEU A 81 -10.207 4.779 -3.227 1.00 0.49 C ATOM 1269 CD2 LEU A 81 -12.226 6.252 -3.467 1.00 0.75 C ATOM 0 H LEU A 81 -14.222 3.474 -5.303 1.00 0.66 H new ATOM 0 HA LEU A 81 -11.359 3.960 -5.312 1.00 0.55 H new ATOM 0 HB2 LEU A 81 -13.554 4.002 -3.440 1.00 0.59 H new ATOM 0 HB3 LEU A 81 -12.340 2.890 -2.838 1.00 0.59 H new ATOM 0 HG LEU A 81 -11.812 4.936 -1.842 1.00 0.59 H new ATOM 0 HD11 LEU A 81 -9.663 5.629 -2.816 1.00 0.49 H new ATOM 0 HD12 LEU A 81 -9.837 3.859 -2.775 1.00 0.49 H new ATOM 0 HD13 LEU A 81 -10.057 4.739 -4.306 1.00 0.49 H new ATOM 0 HD21 LEU A 81 -11.644 7.076 -3.055 1.00 0.75 H new ATOM 0 HD22 LEU A 81 -12.145 6.258 -4.554 1.00 0.75 H new ATOM 0 HD23 LEU A 81 -13.271 6.367 -3.180 1.00 0.75 H new ATOM 1281 N GLY A 82 -12.222 1.108 -5.885 1.00 0.59 N ATOM 1282 CA GLY A 82 -11.874 -0.291 -5.968 1.00 0.62 C ATOM 1283 C GLY A 82 -12.903 -1.152 -5.270 1.00 0.63 C ATOM 1284 O GLY A 82 -12.680 -1.610 -4.149 1.00 0.64 O ATOM 0 H GLY A 82 -12.873 1.431 -6.600 1.00 0.59 H new ATOM 0 HA2 GLY A 82 -11.796 -0.588 -7.014 1.00 0.62 H new ATOM 0 HA3 GLY A 82 -10.895 -0.452 -5.517 1.00 0.62 H new ATOM 1288 N MET A 83 -14.027 -1.369 -5.939 1.00 0.84 N ATOM 1289 CA MET A 83 -15.121 -2.162 -5.386 1.00 1.01 C ATOM 1290 C MET A 83 -14.820 -3.653 -5.482 1.00 0.98 C ATOM 1291 O MET A 83 -15.546 -4.417 -6.119 1.00 1.26 O ATOM 1292 CB MET A 83 -16.440 -1.827 -6.091 1.00 1.34 C ATOM 1293 CG MET A 83 -16.328 -1.734 -7.606 1.00 1.54 C ATOM 1294 SD MET A 83 -17.820 -1.072 -8.374 1.00 2.03 S ATOM 1295 CE MET A 83 -17.207 -0.724 -10.018 1.00 2.27 C ATOM 0 H MET A 83 -14.208 -1.004 -6.874 1.00 0.84 H new ATOM 0 HA MET A 83 -15.222 -1.909 -4.331 1.00 1.01 H new ATOM 0 HB2 MET A 83 -17.178 -2.588 -5.838 1.00 1.34 H new ATOM 0 HB3 MET A 83 -16.815 -0.879 -5.706 1.00 1.34 H new ATOM 0 HG2 MET A 83 -15.479 -1.101 -7.865 1.00 1.54 H new ATOM 0 HG3 MET A 83 -16.123 -2.724 -8.013 1.00 1.54 H new ATOM 0 HE1 MET A 83 -18.010 -0.306 -10.625 1.00 2.27 H new ATOM 0 HE2 MET A 83 -16.388 -0.007 -9.957 1.00 2.27 H new ATOM 0 HE3 MET A 83 -16.849 -1.646 -10.475 1.00 2.27 H new ATOM 1305 N GLN A 84 -13.730 -4.050 -4.852 1.00 0.89 N ATOM 1306 CA GLN A 84 -13.305 -5.435 -4.822 1.00 0.89 C ATOM 1307 C GLN A 84 -12.994 -5.801 -3.379 1.00 0.84 C ATOM 1308 O GLN A 84 -13.295 -5.031 -2.469 1.00 1.06 O ATOM 1309 CB GLN A 84 -12.060 -5.656 -5.695 1.00 0.92 C ATOM 1310 CG GLN A 84 -11.845 -4.595 -6.764 1.00 0.99 C ATOM 1311 CD GLN A 84 -10.828 -5.013 -7.806 1.00 1.05 C ATOM 1312 OE1 GLN A 84 -9.627 -4.802 -7.637 1.00 1.20 O ATOM 1313 NE2 GLN A 84 -11.302 -5.596 -8.892 1.00 1.38 N ATOM 0 H GLN A 84 -13.112 -3.417 -4.344 1.00 0.89 H new ATOM 0 HA GLN A 84 -14.101 -6.065 -5.219 1.00 0.89 H new ATOM 0 HB2 GLN A 84 -11.181 -5.689 -5.051 1.00 0.92 H new ATOM 0 HB3 GLN A 84 -12.138 -6.630 -6.178 1.00 0.92 H new ATOM 0 HG2 GLN A 84 -12.795 -4.381 -7.254 1.00 0.99 H new ATOM 0 HG3 GLN A 84 -11.515 -3.670 -6.291 1.00 0.99 H new ATOM 0 HE21 GLN A 84 -12.305 -5.752 -8.991 1.00 1.38 H new ATOM 0 HE22 GLN A 84 -10.665 -5.891 -9.632 1.00 1.38 H new ATOM 1322 N ASN A 85 -12.373 -6.947 -3.164 1.00 0.74 N ATOM 1323 CA ASN A 85 -12.021 -7.374 -1.814 1.00 0.78 C ATOM 1324 C ASN A 85 -10.710 -6.730 -1.370 1.00 0.72 C ATOM 1325 O ASN A 85 -9.785 -7.408 -0.915 1.00 0.98 O ATOM 1326 CB ASN A 85 -11.920 -8.900 -1.721 1.00 0.91 C ATOM 1327 CG ASN A 85 -10.894 -9.490 -2.668 1.00 0.91 C ATOM 1328 OD1 ASN A 85 -10.752 -9.047 -3.805 1.00 1.15 O ATOM 1329 ND2 ASN A 85 -10.164 -10.489 -2.199 1.00 1.09 N ATOM 0 H ASN A 85 -12.101 -7.599 -3.900 1.00 0.74 H new ATOM 0 HA ASN A 85 -12.817 -7.046 -1.146 1.00 0.78 H new ATOM 0 HB2 ASN A 85 -11.664 -9.179 -0.699 1.00 0.91 H new ATOM 0 HB3 ASN A 85 -12.896 -9.336 -1.936 1.00 0.91 H new ATOM 0 HD21 ASN A 85 -9.452 -10.921 -2.788 1.00 1.09 H new ATOM 0 HD22 ASN A 85 -10.313 -10.827 -1.248 1.00 1.09 H new ATOM 1336 N GLY A 86 -10.643 -5.414 -1.497 1.00 0.62 N ATOM 1337 CA GLY A 86 -9.454 -4.696 -1.107 1.00 0.57 C ATOM 1338 C GLY A 86 -8.779 -4.007 -2.269 1.00 0.51 C ATOM 1339 O GLY A 86 -8.258 -2.901 -2.120 1.00 0.49 O ATOM 0 H GLY A 86 -11.395 -4.831 -1.865 1.00 0.62 H new ATOM 0 HA2 GLY A 86 -9.714 -3.954 -0.352 1.00 0.57 H new ATOM 0 HA3 GLY A 86 -8.752 -5.389 -0.644 1.00 0.57 H new ATOM 1343 N CYS A 87 -8.805 -4.664 -3.427 1.00 0.59 N ATOM 1344 CA CYS A 87 -8.182 -4.146 -4.642 1.00 0.62 C ATOM 1345 C CYS A 87 -6.658 -4.186 -4.510 1.00 0.65 C ATOM 1346 O CYS A 87 -6.120 -4.939 -3.697 1.00 0.68 O ATOM 1347 CB CYS A 87 -8.675 -2.724 -4.945 1.00 0.62 C ATOM 1348 SG CYS A 87 -8.455 -2.212 -6.664 1.00 0.79 S ATOM 0 H CYS A 87 -9.258 -5.570 -3.549 1.00 0.59 H new ATOM 0 HA CYS A 87 -8.471 -4.780 -5.480 1.00 0.62 H new ATOM 0 HB2 CYS A 87 -9.733 -2.657 -4.690 1.00 0.62 H new ATOM 0 HB3 CYS A 87 -8.146 -2.023 -4.299 1.00 0.62 H new ATOM 0 HG CYS A 87 -8.900 -3.143 -7.454 1.00 0.79 H new ATOM 1354 N ARG A 88 -5.962 -3.394 -5.316 1.00 0.69 N ATOM 1355 CA ARG A 88 -4.504 -3.359 -5.283 1.00 0.77 C ATOM 1356 C ARG A 88 -4.009 -1.915 -5.316 1.00 0.75 C ATOM 1357 O ARG A 88 -4.712 -1.032 -5.810 1.00 0.72 O ATOM 1358 CB ARG A 88 -3.913 -4.129 -6.474 1.00 0.93 C ATOM 1359 CG ARG A 88 -4.448 -5.545 -6.638 1.00 1.03 C ATOM 1360 CD ARG A 88 -5.669 -5.586 -7.556 1.00 1.11 C ATOM 1361 NE ARG A 88 -5.338 -5.263 -8.947 1.00 1.27 N ATOM 1362 CZ ARG A 88 -6.246 -5.029 -9.901 1.00 1.47 C ATOM 1363 NH1 ARG A 88 -7.546 -5.031 -9.615 1.00 1.55 N ATOM 1364 NH2 ARG A 88 -5.848 -4.787 -11.142 1.00 1.74 N ATOM 0 H ARG A 88 -6.383 -2.767 -6.001 1.00 0.69 H new ATOM 0 HA ARG A 88 -4.176 -3.834 -4.358 1.00 0.77 H new ATOM 0 HB2 ARG A 88 -4.114 -3.570 -7.388 1.00 0.93 H new ATOM 0 HB3 ARG A 88 -2.830 -4.174 -6.360 1.00 0.93 H new ATOM 0 HG2 ARG A 88 -3.665 -6.185 -7.045 1.00 1.03 H new ATOM 0 HG3 ARG A 88 -4.714 -5.949 -5.661 1.00 1.03 H new ATOM 0 HD2 ARG A 88 -6.118 -6.578 -7.514 1.00 1.11 H new ATOM 0 HD3 ARG A 88 -6.417 -4.882 -7.191 1.00 1.11 H new ATOM 0 HE ARG A 88 -4.352 -5.214 -9.204 1.00 1.27 H new ATOM 0 HH11 ARG A 88 -7.858 -5.212 -8.661 1.00 1.55 H new ATOM 0 HH12 ARG A 88 -8.230 -4.851 -10.350 1.00 1.55 H new ATOM 0 HH21 ARG A 88 -4.853 -4.780 -11.366 1.00 1.74 H new ATOM 0 HH22 ARG A 88 -6.537 -4.608 -11.873 1.00 1.74 H new ATOM 1378 N VAL A 89 -2.813 -1.675 -4.779 1.00 0.78 N ATOM 1379 CA VAL A 89 -2.226 -0.335 -4.771 1.00 0.79 C ATOM 1380 C VAL A 89 -0.711 -0.403 -4.964 1.00 0.92 C ATOM 1381 O VAL A 89 -0.028 -1.205 -4.327 1.00 0.99 O ATOM 1382 CB VAL A 89 -2.533 0.450 -3.470 1.00 0.70 C ATOM 1383 CG1 VAL A 89 -3.954 0.990 -3.478 1.00 0.61 C ATOM 1384 CG2 VAL A 89 -2.294 -0.409 -2.240 1.00 0.69 C ATOM 0 H VAL A 89 -2.231 -2.391 -4.344 1.00 0.78 H new ATOM 0 HA VAL A 89 -2.686 0.199 -5.603 1.00 0.79 H new ATOM 0 HB VAL A 89 -1.848 1.297 -3.429 1.00 0.70 H new ATOM 0 HG11 VAL A 89 -4.141 1.536 -2.553 1.00 0.61 H new ATOM 0 HG12 VAL A 89 -4.084 1.660 -4.328 1.00 0.61 H new ATOM 0 HG13 VAL A 89 -4.658 0.161 -3.559 1.00 0.61 H new ATOM 0 HG21 VAL A 89 -2.518 0.169 -1.343 1.00 0.69 H new ATOM 0 HG22 VAL A 89 -2.941 -1.286 -2.277 1.00 0.69 H new ATOM 0 HG23 VAL A 89 -1.252 -0.728 -2.216 1.00 0.69 H new ATOM 1394 N MET A 90 -0.194 0.431 -5.855 1.00 0.97 N ATOM 1395 CA MET A 90 1.236 0.475 -6.130 1.00 1.10 C ATOM 1396 C MET A 90 1.743 1.906 -6.049 1.00 1.14 C ATOM 1397 O MET A 90 1.162 2.813 -6.648 1.00 1.13 O ATOM 1398 CB MET A 90 1.537 -0.103 -7.513 1.00 1.21 C ATOM 1399 CG MET A 90 3.018 -0.091 -7.870 1.00 1.49 C ATOM 1400 SD MET A 90 3.328 -0.586 -9.576 1.00 1.66 S ATOM 1401 CE MET A 90 3.432 1.013 -10.379 1.00 2.09 C ATOM 0 H MET A 90 -0.747 1.090 -6.403 1.00 0.97 H new ATOM 0 HA MET A 90 1.747 -0.129 -5.380 1.00 1.10 H new ATOM 0 HB2 MET A 90 1.170 -1.128 -7.557 1.00 1.21 H new ATOM 0 HB3 MET A 90 0.986 0.465 -8.263 1.00 1.21 H new ATOM 0 HG2 MET A 90 3.418 0.910 -7.708 1.00 1.49 H new ATOM 0 HG3 MET A 90 3.555 -0.761 -7.199 1.00 1.49 H new ATOM 0 HE1 MET A 90 3.622 0.874 -11.443 1.00 2.09 H new ATOM 0 HE2 MET A 90 2.493 1.549 -10.245 1.00 2.09 H new ATOM 0 HE3 MET A 90 4.245 1.589 -9.938 1.00 2.09 H new ATOM 1411 N LEU A 91 2.818 2.107 -5.309 1.00 1.21 N ATOM 1412 CA LEU A 91 3.389 3.434 -5.155 1.00 1.27 C ATOM 1413 C LEU A 91 4.859 3.448 -5.544 1.00 1.41 C ATOM 1414 O LEU A 91 5.562 2.441 -5.409 1.00 1.47 O ATOM 1415 CB LEU A 91 3.179 3.982 -3.719 1.00 1.22 C ATOM 1416 CG LEU A 91 3.993 3.354 -2.554 1.00 1.27 C ATOM 1417 CD1 LEU A 91 3.963 1.836 -2.582 1.00 1.25 C ATOM 1418 CD2 LEU A 91 5.431 3.862 -2.532 1.00 1.42 C ATOM 0 H LEU A 91 3.313 1.371 -4.806 1.00 1.21 H new ATOM 0 HA LEU A 91 2.859 4.100 -5.836 1.00 1.27 H new ATOM 0 HB2 LEU A 91 3.398 5.050 -3.737 1.00 1.22 H new ATOM 0 HB3 LEU A 91 2.121 3.878 -3.477 1.00 1.22 H new ATOM 0 HG LEU A 91 3.505 3.674 -1.633 1.00 1.27 H new ATOM 0 HD11 LEU A 91 4.546 1.445 -1.748 1.00 1.25 H new ATOM 0 HD12 LEU A 91 2.933 1.491 -2.498 1.00 1.25 H new ATOM 0 HD13 LEU A 91 4.389 1.481 -3.520 1.00 1.25 H new ATOM 0 HD21 LEU A 91 5.968 3.400 -1.703 1.00 1.42 H new ATOM 0 HD22 LEU A 91 5.922 3.605 -3.471 1.00 1.42 H new ATOM 0 HD23 LEU A 91 5.433 4.945 -2.406 1.00 1.42 H new ATOM 1430 N ILE A 92 5.308 4.585 -6.043 1.00 1.50 N ATOM 1431 CA ILE A 92 6.694 4.757 -6.442 1.00 1.65 C ATOM 1432 C ILE A 92 7.366 5.770 -5.523 1.00 1.71 C ATOM 1433 O ILE A 92 6.784 6.809 -5.202 1.00 1.89 O ATOM 1434 CB ILE A 92 6.813 5.233 -7.907 1.00 1.74 C ATOM 1435 CG1 ILE A 92 5.873 4.426 -8.806 1.00 1.66 C ATOM 1436 CG2 ILE A 92 8.252 5.104 -8.392 1.00 1.96 C ATOM 1437 CD1 ILE A 92 5.847 4.894 -10.246 1.00 1.79 C ATOM 0 H ILE A 92 4.727 5.411 -6.183 1.00 1.50 H new ATOM 0 HA ILE A 92 7.188 3.789 -6.362 1.00 1.65 H new ATOM 0 HB ILE A 92 6.524 6.283 -7.956 1.00 1.74 H new ATOM 0 HG12 ILE A 92 6.173 3.378 -8.780 1.00 1.66 H new ATOM 0 HG13 ILE A 92 4.863 4.479 -8.399 1.00 1.66 H new ATOM 0 HG21 ILE A 92 8.319 5.443 -9.426 1.00 1.96 H new ATOM 0 HG22 ILE A 92 8.903 5.715 -7.766 1.00 1.96 H new ATOM 0 HG23 ILE A 92 8.564 4.061 -8.331 1.00 1.96 H new ATOM 0 HD11 ILE A 92 5.158 4.273 -10.818 1.00 1.79 H new ATOM 0 HD12 ILE A 92 5.517 5.932 -10.285 1.00 1.79 H new ATOM 0 HD13 ILE A 92 6.847 4.815 -10.672 1.00 1.79 H new ATOM 1449 N GLY A 93 8.577 5.462 -5.086 1.00 1.73 N ATOM 1450 CA GLY A 93 9.289 6.360 -4.201 1.00 1.80 C ATOM 1451 C GLY A 93 9.966 5.625 -3.066 1.00 1.84 C ATOM 1452 O GLY A 93 10.679 4.650 -3.295 1.00 1.89 O ATOM 0 H GLY A 93 9.079 4.608 -5.328 1.00 1.73 H new ATOM 0 HA2 GLY A 93 10.036 6.912 -4.771 1.00 1.80 H new ATOM 0 HA3 GLY A 93 8.593 7.093 -3.793 1.00 1.80 H new ATOM 1456 N GLU A 94 9.720 6.069 -1.844 1.00 1.88 N ATOM 1457 CA GLU A 94 10.323 5.451 -0.675 1.00 1.97 C ATOM 1458 C GLU A 94 9.247 5.066 0.337 1.00 1.80 C ATOM 1459 O GLU A 94 8.158 5.639 0.347 1.00 1.84 O ATOM 1460 CB GLU A 94 11.343 6.409 -0.040 1.00 2.22 C ATOM 1461 CG GLU A 94 12.078 5.831 1.162 1.00 2.66 C ATOM 1462 CD GLU A 94 12.818 4.547 0.839 1.00 2.63 C ATOM 1463 OE1 GLU A 94 12.185 3.473 0.846 1.00 3.03 O ATOM 1464 OE2 GLU A 94 14.037 4.614 0.579 1.00 2.85 O ATOM 0 H GLU A 94 9.106 6.856 -1.636 1.00 1.88 H new ATOM 0 HA GLU A 94 10.842 4.544 -0.985 1.00 1.97 H new ATOM 0 HB2 GLU A 94 12.074 6.696 -0.796 1.00 2.22 H new ATOM 0 HB3 GLU A 94 10.828 7.319 0.267 1.00 2.22 H new ATOM 0 HG2 GLU A 94 12.787 6.569 1.537 1.00 2.66 H new ATOM 0 HG3 GLU A 94 11.363 5.641 1.962 1.00 2.66 H new ATOM 1471 N LYS A 95 9.555 4.083 1.169 1.00 1.82 N ATOM 1472 CA LYS A 95 8.637 3.623 2.193 1.00 1.72 C ATOM 1473 C LYS A 95 9.372 3.512 3.521 1.00 1.77 C ATOM 1474 O LYS A 95 9.616 2.413 4.020 1.00 1.96 O ATOM 1475 CB LYS A 95 8.015 2.276 1.808 1.00 1.81 C ATOM 1476 CG LYS A 95 6.675 2.404 1.101 1.00 1.79 C ATOM 1477 CD LYS A 95 5.845 1.137 1.247 1.00 2.06 C ATOM 1478 CE LYS A 95 4.356 1.430 1.161 1.00 2.15 C ATOM 1479 NZ LYS A 95 3.957 2.550 2.055 1.00 2.38 N ATOM 0 H LYS A 95 10.445 3.585 1.152 1.00 1.82 H new ATOM 0 HA LYS A 95 7.827 4.346 2.290 1.00 1.72 H new ATOM 0 HB2 LYS A 95 8.707 1.737 1.161 1.00 1.81 H new ATOM 0 HB3 LYS A 95 7.886 1.675 2.708 1.00 1.81 H new ATOM 0 HG2 LYS A 95 6.125 3.250 1.512 1.00 1.79 H new ATOM 0 HG3 LYS A 95 6.839 2.613 0.044 1.00 1.79 H new ATOM 0 HD2 LYS A 95 6.122 0.428 0.467 1.00 2.06 H new ATOM 0 HD3 LYS A 95 6.068 0.663 2.203 1.00 2.06 H new ATOM 0 HE2 LYS A 95 4.094 1.676 0.132 1.00 2.15 H new ATOM 0 HE3 LYS A 95 3.794 0.535 1.428 1.00 2.15 H new ATOM 0 HZ1 LYS A 95 2.947 2.466 2.287 1.00 2.38 H new ATOM 0 HZ2 LYS A 95 4.518 2.512 2.930 1.00 2.38 H new ATOM 0 HZ3 LYS A 95 4.127 3.456 1.574 1.00 2.38 H new ATOM 1493 N SER A 96 9.735 4.665 4.073 1.00 1.80 N ATOM 1494 CA SER A 96 10.454 4.739 5.338 1.00 1.92 C ATOM 1495 C SER A 96 9.664 4.107 6.483 1.00 1.83 C ATOM 1496 O SER A 96 8.831 4.755 7.120 1.00 1.95 O ATOM 1497 CB SER A 96 10.762 6.202 5.656 1.00 2.15 C ATOM 1498 OG SER A 96 10.482 7.029 4.536 1.00 2.38 O ATOM 0 H SER A 96 9.539 5.574 3.655 1.00 1.80 H new ATOM 0 HA SER A 96 11.381 4.175 5.236 1.00 1.92 H new ATOM 0 HB2 SER A 96 10.169 6.526 6.511 1.00 2.15 H new ATOM 0 HB3 SER A 96 11.810 6.305 5.938 1.00 2.15 H new ATOM 0 HG SER A 96 10.684 7.962 4.759 1.00 2.38 H new ATOM 1504 N ASN A 97 9.923 2.836 6.728 1.00 1.89 N ATOM 1505 CA ASN A 97 9.256 2.111 7.790 1.00 1.93 C ATOM 1506 C ASN A 97 10.156 2.057 9.012 1.00 2.29 C ATOM 1507 O ASN A 97 11.290 1.549 8.888 1.00 2.53 O ATOM 1508 CB ASN A 97 8.897 0.696 7.332 1.00 1.89 C ATOM 1509 CG ASN A 97 8.023 -0.041 8.333 1.00 2.00 C ATOM 1510 OD1 ASN A 97 7.128 0.679 9.000 1.00 2.24 O flip ATOM 1511 ND2 ASN A 97 8.139 -1.256 8.494 1.00 1.96 N flip ATOM 1512 OXT ASN A 97 9.740 2.541 10.082 1.00 2.61 O ATOM 0 H ASN A 97 10.597 2.282 6.200 1.00 1.89 H new ATOM 0 HA ASN A 97 8.333 2.630 8.047 1.00 1.93 H new ATOM 0 HB2 ASN A 97 8.380 0.749 6.374 1.00 1.89 H new ATOM 0 HB3 ASN A 97 9.813 0.128 7.169 1.00 1.89 H new ATOM 0 HD21 ASN A 97 8.838 -1.776 7.964 1.00 1.96 H new ATOM 0 HD22 ASN A 97 7.536 -1.742 9.158 1.00 1.96 H new TER 1519 ASN A 97 ATOM 1520 N ARG B 185 23.569 5.000 4.860 1.00 5.24 N ATOM 1521 CA ARG B 185 22.547 5.827 4.177 1.00 5.09 C ATOM 1522 C ARG B 185 21.262 5.839 4.994 1.00 5.04 C ATOM 1523 O ARG B 185 20.938 4.857 5.654 1.00 4.90 O ATOM 1524 CB ARG B 185 22.279 5.302 2.757 1.00 4.43 C ATOM 1525 CG ARG B 185 22.015 3.805 2.685 1.00 4.00 C ATOM 1526 CD ARG B 185 21.850 3.327 1.246 1.00 3.44 C ATOM 1527 NE ARG B 185 23.071 3.503 0.455 1.00 3.76 N ATOM 1528 CZ ARG B 185 23.608 2.555 -0.323 1.00 3.61 C ATOM 1529 NH1 ARG B 185 23.029 1.366 -0.435 1.00 3.10 N ATOM 1530 NH2 ARG B 185 24.729 2.808 -0.988 1.00 4.24 N ATOM 0 HA ARG B 185 22.922 6.847 4.092 1.00 5.09 H new ATOM 0 HB2 ARG B 185 21.421 5.831 2.342 1.00 4.43 H new ATOM 0 HB3 ARG B 185 23.136 5.539 2.126 1.00 4.43 H new ATOM 0 HG2 ARG B 185 22.839 3.268 3.154 1.00 4.00 H new ATOM 0 HG3 ARG B 185 21.115 3.567 3.252 1.00 4.00 H new ATOM 0 HD2 ARG B 185 21.569 2.274 1.246 1.00 3.44 H new ATOM 0 HD3 ARG B 185 21.033 3.875 0.775 1.00 3.44 H new ATOM 0 HE ARG B 185 23.542 4.406 0.500 1.00 3.76 H new ATOM 0 HH11 ARG B 185 22.168 1.168 0.074 1.00 3.10 H new ATOM 0 HH12 ARG B 185 23.445 0.650 -1.030 1.00 3.10 H new ATOM 0 HH21 ARG B 185 25.177 3.721 -0.905 1.00 4.24 H new ATOM 0 HH22 ARG B 185 25.143 2.090 -1.582 1.00 4.24 H new ATOM 1546 N TYR B 186 20.529 6.945 4.943 1.00 5.30 N ATOM 1547 CA TYR B 186 19.283 7.076 5.700 1.00 5.40 C ATOM 1548 C TYR B 186 18.094 6.519 4.917 1.00 4.76 C ATOM 1549 O TYR B 186 16.965 6.979 5.066 1.00 4.97 O ATOM 1550 CB TYR B 186 19.033 8.548 6.072 1.00 6.21 C ATOM 1551 CG TYR B 186 18.990 9.501 4.889 1.00 6.50 C ATOM 1552 CD1 TYR B 186 17.797 9.760 4.220 1.00 6.39 C ATOM 1553 CD2 TYR B 186 20.141 10.143 4.441 1.00 7.04 C ATOM 1554 CE1 TYR B 186 17.753 10.626 3.144 1.00 6.82 C ATOM 1555 CE2 TYR B 186 20.103 11.012 3.366 1.00 7.46 C ATOM 1556 CZ TYR B 186 18.907 11.247 2.721 1.00 7.36 C ATOM 1557 OH TYR B 186 18.866 12.102 1.647 1.00 7.91 O ATOM 0 H TYR B 186 20.773 7.765 4.387 1.00 5.30 H new ATOM 0 HA TYR B 186 19.386 6.492 6.615 1.00 5.40 H new ATOM 0 HB2 TYR B 186 18.089 8.617 6.612 1.00 6.21 H new ATOM 0 HB3 TYR B 186 19.816 8.874 6.756 1.00 6.21 H new ATOM 0 HD1 TYR B 186 16.889 9.275 4.548 1.00 6.39 H new ATOM 0 HD2 TYR B 186 21.080 9.959 4.942 1.00 7.04 H new ATOM 0 HE1 TYR B 186 16.818 10.815 2.637 1.00 6.82 H new ATOM 0 HE2 TYR B 186 21.005 11.504 3.033 1.00 7.46 H new ATOM 0 HH TYR B 186 19.763 12.458 1.478 1.00 7.91 H new ATOM 1567 N HIS B 187 18.344 5.513 4.093 1.00 4.11 N ATOM 1568 CA HIS B 187 17.285 4.916 3.294 1.00 3.50 C ATOM 1569 C HIS B 187 17.013 3.486 3.734 1.00 2.93 C ATOM 1570 O HIS B 187 17.880 2.617 3.625 1.00 2.65 O ATOM 1571 CB HIS B 187 17.634 4.958 1.804 1.00 3.36 C ATOM 1572 CG HIS B 187 17.171 6.208 1.123 1.00 3.78 C ATOM 1573 ND1 HIS B 187 15.948 6.319 0.502 1.00 4.02 N ATOM 1574 CD2 HIS B 187 17.776 7.408 0.969 1.00 4.34 C ATOM 1575 CE1 HIS B 187 15.819 7.529 -0.002 1.00 4.46 C ATOM 1576 NE2 HIS B 187 16.915 8.212 0.267 1.00 4.67 N ATOM 0 H HIS B 187 19.265 5.095 3.960 1.00 4.11 H new ATOM 0 HA HIS B 187 16.379 5.502 3.451 1.00 3.50 H new ATOM 0 HB2 HIS B 187 18.714 4.868 1.688 1.00 3.36 H new ATOM 0 HB3 HIS B 187 17.187 4.096 1.309 1.00 3.36 H new ATOM 0 HD1 HIS B 187 15.249 5.578 0.441 1.00 4.02 H new ATOM 0 HD2 HIS B 187 18.756 7.682 1.332 1.00 4.34 H new ATOM 0 HE1 HIS B 187 14.961 7.899 -0.544 1.00 4.46 H new ATOM 1585 N ARG B 188 15.809 3.261 4.245 1.00 2.96 N ATOM 1586 CA ARG B 188 15.392 1.947 4.711 1.00 2.79 C ATOM 1587 C ARG B 188 15.434 0.936 3.573 1.00 2.14 C ATOM 1588 O ARG B 188 14.684 1.062 2.605 1.00 1.99 O ATOM 1589 CB ARG B 188 13.973 2.028 5.290 1.00 3.34 C ATOM 1590 CG ARG B 188 13.406 0.688 5.731 1.00 3.55 C ATOM 1591 CD ARG B 188 12.101 0.371 5.013 1.00 3.79 C ATOM 1592 NE ARG B 188 12.260 0.394 3.559 1.00 3.55 N ATOM 1593 CZ ARG B 188 11.399 -0.139 2.698 1.00 3.89 C ATOM 1594 NH1 ARG B 188 10.280 -0.706 3.126 1.00 4.48 N ATOM 1595 NH2 ARG B 188 11.656 -0.092 1.398 1.00 4.04 N ATOM 0 H ARG B 188 15.096 3.983 4.347 1.00 2.96 H new ATOM 0 HA ARG B 188 16.080 1.618 5.489 1.00 2.79 H new ATOM 0 HB2 ARG B 188 13.978 2.707 6.143 1.00 3.34 H new ATOM 0 HB3 ARG B 188 13.311 2.462 4.541 1.00 3.34 H new ATOM 0 HG2 ARG B 188 14.133 -0.099 5.531 1.00 3.55 H new ATOM 0 HG3 ARG B 188 13.237 0.700 6.808 1.00 3.55 H new ATOM 0 HD2 ARG B 188 11.745 -0.611 5.324 1.00 3.79 H new ATOM 0 HD3 ARG B 188 11.340 1.094 5.307 1.00 3.79 H new ATOM 0 HE ARG B 188 13.089 0.851 3.179 1.00 3.55 H new ATOM 0 HH11 ARG B 188 10.073 -0.736 4.124 1.00 4.48 H new ATOM 0 HH12 ARG B 188 9.626 -1.112 2.457 1.00 4.48 H new ATOM 0 HH21 ARG B 188 12.511 0.352 1.063 1.00 4.04 H new ATOM 0 HH22 ARG B 188 10.999 -0.500 0.733 1.00 4.04 H new ATOM 1609 N ARG B 189 16.320 -0.050 3.694 1.00 2.02 N ATOM 1610 CA ARG B 189 16.472 -1.098 2.683 1.00 1.77 C ATOM 1611 C ARG B 189 16.783 -0.494 1.315 1.00 1.33 C ATOM 1612 O ARG B 189 16.284 -0.954 0.289 1.00 1.67 O ATOM 1613 CB ARG B 189 15.206 -1.959 2.610 1.00 2.37 C ATOM 1614 CG ARG B 189 14.864 -2.646 3.924 1.00 3.12 C ATOM 1615 CD ARG B 189 13.427 -3.146 3.942 1.00 3.82 C ATOM 1616 NE ARG B 189 12.920 -3.305 5.306 1.00 4.33 N ATOM 1617 CZ ARG B 189 11.787 -3.935 5.620 1.00 4.83 C ATOM 1618 NH1 ARG B 189 11.065 -4.535 4.680 1.00 4.91 N ATOM 1619 NH2 ARG B 189 11.390 -3.983 6.888 1.00 5.48 N ATOM 0 H ARG B 189 16.950 -0.147 4.490 1.00 2.02 H new ATOM 0 HA ARG B 189 17.310 -1.732 2.974 1.00 1.77 H new ATOM 0 HB2 ARG B 189 14.367 -1.333 2.307 1.00 2.37 H new ATOM 0 HB3 ARG B 189 15.335 -2.716 1.836 1.00 2.37 H new ATOM 0 HG2 ARG B 189 15.543 -3.484 4.084 1.00 3.12 H new ATOM 0 HG3 ARG B 189 15.017 -1.950 4.749 1.00 3.12 H new ATOM 0 HD2 ARG B 189 12.792 -2.446 3.398 1.00 3.82 H new ATOM 0 HD3 ARG B 189 13.369 -4.101 3.420 1.00 3.82 H new ATOM 0 HE ARG B 189 13.470 -2.907 6.067 1.00 4.33 H new ATOM 0 HH11 ARG B 189 11.376 -4.516 3.709 1.00 4.91 H new ATOM 0 HH12 ARG B 189 10.200 -5.014 4.930 1.00 4.91 H new ATOM 0 HH21 ARG B 189 11.951 -3.539 7.615 1.00 5.48 H new ATOM 0 HH22 ARG B 189 10.524 -4.463 7.134 1.00 5.48 H new ATOM 1633 N GLY B 190 17.593 0.555 1.320 1.00 1.17 N ATOM 1634 CA GLY B 190 17.968 1.211 0.085 1.00 1.54 C ATOM 1635 C GLY B 190 19.191 0.586 -0.545 1.00 1.70 C ATOM 1636 O GLY B 190 20.321 0.871 -0.144 1.00 1.97 O ATOM 0 H GLY B 190 17.998 0.965 2.162 1.00 1.17 H new ATOM 0 HA2 GLY B 190 17.135 1.164 -0.617 1.00 1.54 H new ATOM 0 HA3 GLY B 190 18.161 2.266 0.280 1.00 1.54 H new ATOM 1640 N GLY B 191 18.967 -0.295 -1.509 1.00 1.91 N ATOM 1641 CA GLY B 191 20.066 -0.950 -2.192 1.00 2.36 C ATOM 1642 C GLY B 191 20.538 -2.193 -1.467 1.00 2.17 C ATOM 1643 O GLY B 191 20.718 -3.249 -2.074 1.00 2.71 O ATOM 0 H GLY B 191 18.039 -0.570 -1.832 1.00 1.91 H new ATOM 0 HA2 GLY B 191 19.755 -1.218 -3.202 1.00 2.36 H new ATOM 0 HA3 GLY B 191 20.897 -0.252 -2.289 1.00 2.36 H new ATOM 1647 N TYR B 192 20.745 -2.054 -0.170 1.00 1.71 N ATOM 1648 CA TYR B 192 21.193 -3.150 0.671 1.00 1.86 C ATOM 1649 C TYR B 192 20.272 -3.242 1.876 1.00 1.87 C ATOM 1650 O TYR B 192 19.176 -2.692 1.846 1.00 2.21 O ATOM 1651 CB TYR B 192 22.637 -2.913 1.121 1.00 1.91 C ATOM 1652 CG TYR B 192 23.444 -4.184 1.308 1.00 2.45 C ATOM 1653 CD1 TYR B 192 23.706 -5.025 0.236 1.00 2.95 C ATOM 1654 CD2 TYR B 192 23.952 -4.532 2.553 1.00 2.80 C ATOM 1655 CE1 TYR B 192 24.451 -6.180 0.397 1.00 3.62 C ATOM 1656 CE2 TYR B 192 24.697 -5.686 2.723 1.00 3.41 C ATOM 1657 CZ TYR B 192 24.944 -6.506 1.642 1.00 3.77 C ATOM 1658 OH TYR B 192 25.693 -7.654 1.806 1.00 4.48 O ATOM 0 H TYR B 192 20.607 -1.176 0.331 1.00 1.71 H new ATOM 0 HA TYR B 192 21.162 -4.085 0.112 1.00 1.86 H new ATOM 0 HB2 TYR B 192 23.137 -2.283 0.385 1.00 1.91 H new ATOM 0 HB3 TYR B 192 22.627 -2.360 2.060 1.00 1.91 H new ATOM 0 HD1 TYR B 192 23.322 -4.774 -0.742 1.00 2.95 H new ATOM 0 HD2 TYR B 192 23.763 -3.892 3.402 1.00 2.80 H new ATOM 0 HE1 TYR B 192 24.645 -6.823 -0.449 1.00 3.62 H new ATOM 0 HE2 TYR B 192 25.083 -5.943 3.698 1.00 3.41 H new ATOM 0 HH TYR B 192 25.965 -7.736 2.744 1.00 4.48 H new ATOM 1668 N ASP B 193 20.721 -3.923 2.931 1.00 2.08 N ATOM 1669 CA ASP B 193 19.929 -4.073 4.155 1.00 2.57 C ATOM 1670 C ASP B 193 19.363 -2.727 4.597 1.00 2.39 C ATOM 1671 O ASP B 193 18.171 -2.599 4.874 1.00 2.59 O ATOM 1672 CB ASP B 193 20.792 -4.662 5.274 1.00 3.18 C ATOM 1673 CG ASP B 193 19.984 -5.069 6.492 1.00 3.84 C ATOM 1674 OD1 ASP B 193 19.598 -4.185 7.281 1.00 4.14 O ATOM 1675 OD2 ASP B 193 19.740 -6.280 6.672 1.00 4.22 O ATOM 0 H ASP B 193 21.632 -4.381 2.963 1.00 2.08 H new ATOM 0 HA ASP B 193 19.101 -4.750 3.946 1.00 2.57 H new ATOM 0 HB2 ASP B 193 21.328 -5.531 4.893 1.00 3.18 H new ATOM 0 HB3 ASP B 193 21.543 -3.929 5.571 1.00 3.18 H new ATOM 1680 N VAL B 194 20.232 -1.724 4.635 1.00 2.39 N ATOM 1681 CA VAL B 194 19.848 -0.374 5.028 1.00 2.62 C ATOM 1682 C VAL B 194 21.071 0.540 5.019 1.00 2.80 C ATOM 1683 O VAL B 194 20.967 1.745 4.792 1.00 3.15 O ATOM 1684 CB VAL B 194 19.170 -0.342 6.424 1.00 3.43 C ATOM 1685 CG1 VAL B 194 20.129 -0.785 7.520 1.00 3.97 C ATOM 1686 CG2 VAL B 194 18.612 1.042 6.723 1.00 3.78 C ATOM 0 H VAL B 194 21.219 -1.823 4.395 1.00 2.39 H new ATOM 0 HA VAL B 194 19.118 -0.017 4.302 1.00 2.62 H new ATOM 0 HB VAL B 194 18.341 -1.050 6.404 1.00 3.43 H new ATOM 0 HG11 VAL B 194 19.621 -0.750 8.484 1.00 3.97 H new ATOM 0 HG12 VAL B 194 20.462 -1.804 7.322 1.00 3.97 H new ATOM 0 HG13 VAL B 194 20.991 -0.119 7.540 1.00 3.97 H new ATOM 0 HG21 VAL B 194 18.142 1.040 7.706 1.00 3.78 H new ATOM 0 HG22 VAL B 194 19.422 1.772 6.709 1.00 3.78 H new ATOM 0 HG23 VAL B 194 17.872 1.307 5.968 1.00 3.78 H new ATOM 1696 N GLU B 195 22.235 -0.053 5.243 1.00 2.75 N ATOM 1697 CA GLU B 195 23.476 0.697 5.268 1.00 3.12 C ATOM 1698 C GLU B 195 23.966 1.025 3.863 1.00 2.88 C ATOM 1699 O GLU B 195 23.390 0.587 2.866 1.00 2.39 O ATOM 1700 CB GLU B 195 24.556 -0.074 6.023 1.00 3.40 C ATOM 1701 CG GLU B 195 24.884 0.531 7.377 1.00 4.16 C ATOM 1702 CD GLU B 195 24.971 2.047 7.337 1.00 4.65 C ATOM 1703 OE1 GLU B 195 25.530 2.596 6.358 1.00 4.87 O ATOM 1704 OE2 GLU B 195 24.474 2.698 8.281 1.00 5.02 O ATOM 0 H GLU B 195 22.343 -1.053 5.410 1.00 2.75 H new ATOM 0 HA GLU B 195 23.275 1.635 5.785 1.00 3.12 H new ATOM 0 HB2 GLU B 195 24.228 -1.104 6.162 1.00 3.40 H new ATOM 0 HB3 GLU B 195 25.462 -0.106 5.417 1.00 3.40 H new ATOM 0 HG2 GLU B 195 24.122 0.234 8.097 1.00 4.16 H new ATOM 0 HG3 GLU B 195 25.832 0.126 7.731 1.00 4.16 H new ATOM 1711 N ASN B 196 25.034 1.813 3.808 1.00 3.43 N ATOM 1712 CA ASN B 196 25.642 2.224 2.549 1.00 3.64 C ATOM 1713 C ASN B 196 26.285 1.038 1.850 1.00 3.41 C ATOM 1714 O ASN B 196 26.393 1.024 0.627 1.00 3.56 O ATOM 1715 CB ASN B 196 26.694 3.303 2.804 1.00 4.47 C ATOM 1716 CG ASN B 196 27.076 4.073 1.551 1.00 4.94 C ATOM 1717 OD1 ASN B 196 26.236 4.359 0.697 1.00 5.26 O ATOM 1718 ND2 ASN B 196 28.347 4.418 1.438 1.00 5.14 N ATOM 0 H ASN B 196 25.502 2.184 4.635 1.00 3.43 H new ATOM 0 HA ASN B 196 24.859 2.626 1.906 1.00 3.64 H new ATOM 0 HB2 ASN B 196 26.316 4.001 3.551 1.00 4.47 H new ATOM 0 HB3 ASN B 196 27.586 2.839 3.224 1.00 4.47 H new ATOM 0 HD21 ASN B 196 28.663 4.940 0.621 1.00 5.14 H new ATOM 0 HD22 ASN B 196 29.012 4.162 2.168 1.00 5.14 H new ATOM 1725 N GLU B 197 26.709 0.059 2.652 1.00 3.29 N ATOM 1726 CA GLU B 197 27.350 -1.172 2.172 1.00 3.26 C ATOM 1727 C GLU B 197 28.637 -0.883 1.388 1.00 3.82 C ATOM 1728 O GLU B 197 29.019 0.273 1.188 1.00 4.30 O ATOM 1729 CB GLU B 197 26.369 -2.030 1.346 1.00 2.93 C ATOM 1730 CG GLU B 197 26.347 -1.728 -0.147 1.00 3.10 C ATOM 1731 CD GLU B 197 26.273 -2.982 -0.985 1.00 3.38 C ATOM 1732 OE1 GLU B 197 27.109 -3.883 -0.773 1.00 3.60 O ATOM 1733 OE2 GLU B 197 25.387 -3.072 -1.862 1.00 3.83 O ATOM 0 H GLU B 197 26.617 0.097 3.667 1.00 3.29 H new ATOM 0 HA GLU B 197 27.636 -1.748 3.052 1.00 3.26 H new ATOM 0 HB2 GLU B 197 26.624 -3.081 1.485 1.00 2.93 H new ATOM 0 HB3 GLU B 197 25.364 -1.890 1.744 1.00 2.93 H new ATOM 0 HG2 GLU B 197 25.492 -1.091 -0.374 1.00 3.10 H new ATOM 0 HG3 GLU B 197 27.242 -1.167 -0.415 1.00 3.10 H new ATOM 1740 N GLU B 198 29.317 -1.944 0.968 1.00 3.91 N ATOM 1741 CA GLU B 198 30.563 -1.806 0.221 1.00 4.52 C ATOM 1742 C GLU B 198 30.885 -3.087 -0.544 1.00 4.64 C ATOM 1743 O GLU B 198 32.034 -3.330 -0.914 1.00 5.16 O ATOM 1744 CB GLU B 198 31.710 -1.470 1.180 1.00 4.90 C ATOM 1745 CG GLU B 198 32.473 -0.206 0.809 1.00 5.36 C ATOM 1746 CD GLU B 198 33.507 -0.439 -0.274 1.00 5.99 C ATOM 1747 OE1 GLU B 198 34.580 -1.001 0.033 1.00 6.25 O ATOM 1748 OE2 GLU B 198 33.256 -0.051 -1.437 1.00 6.45 O ATOM 0 H GLU B 198 29.027 -2.908 1.132 1.00 3.91 H new ATOM 0 HA GLU B 198 30.443 -0.997 -0.500 1.00 4.52 H new ATOM 0 HB2 GLU B 198 31.308 -1.358 2.187 1.00 4.90 H new ATOM 0 HB3 GLU B 198 32.406 -2.308 1.206 1.00 4.90 H new ATOM 0 HG2 GLU B 198 31.767 0.553 0.473 1.00 5.36 H new ATOM 0 HG3 GLU B 198 32.967 0.188 1.697 1.00 5.36 H new ATOM 1755 N LYS B 199 29.869 -3.901 -0.793 1.00 4.32 N ATOM 1756 CA LYS B 199 30.062 -5.153 -1.509 1.00 4.64 C ATOM 1757 C LYS B 199 29.538 -5.040 -2.933 1.00 4.89 C ATOM 1758 O LYS B 199 30.258 -5.322 -3.891 1.00 5.53 O ATOM 1759 CB LYS B 199 29.361 -6.303 -0.779 1.00 4.38 C ATOM 1760 CG LYS B 199 30.317 -7.261 -0.084 1.00 4.54 C ATOM 1761 CD LYS B 199 30.961 -6.629 1.142 1.00 4.53 C ATOM 1762 CE LYS B 199 32.039 -7.523 1.736 1.00 4.41 C ATOM 1763 NZ LYS B 199 31.502 -8.852 2.130 1.00 4.56 N ATOM 0 H LYS B 199 28.906 -3.718 -0.511 1.00 4.32 H new ATOM 0 HA LYS B 199 31.131 -5.363 -1.546 1.00 4.64 H new ATOM 0 HB2 LYS B 199 28.676 -5.888 -0.040 1.00 4.38 H new ATOM 0 HB3 LYS B 199 28.758 -6.862 -1.495 1.00 4.38 H new ATOM 0 HG2 LYS B 199 29.778 -8.161 0.212 1.00 4.54 H new ATOM 0 HG3 LYS B 199 31.094 -7.570 -0.783 1.00 4.54 H new ATOM 0 HD2 LYS B 199 31.395 -5.667 0.870 1.00 4.53 H new ATOM 0 HD3 LYS B 199 30.197 -6.432 1.894 1.00 4.53 H new ATOM 0 HE2 LYS B 199 32.841 -7.656 1.010 1.00 4.41 H new ATOM 0 HE3 LYS B 199 32.476 -7.035 2.607 1.00 4.41 H new ATOM 0 HZ1 LYS B 199 32.230 -9.380 2.652 1.00 4.56 H new ATOM 0 HZ2 LYS B 199 30.667 -8.723 2.736 1.00 4.56 H new ATOM 0 HZ3 LYS B 199 31.232 -9.384 1.278 1.00 4.56 H new ATOM 1777 N VAL B 200 28.280 -4.616 -3.053 1.00 4.46 N ATOM 1778 CA VAL B 200 27.620 -4.452 -4.345 1.00 4.74 C ATOM 1779 C VAL B 200 27.583 -5.778 -5.105 1.00 5.32 C ATOM 1780 O VAL B 200 28.391 -6.020 -6.005 1.00 5.99 O ATOM 1781 CB VAL B 200 28.298 -3.365 -5.216 1.00 5.22 C ATOM 1782 CG1 VAL B 200 27.483 -3.097 -6.475 1.00 5.43 C ATOM 1783 CG2 VAL B 200 28.485 -2.082 -4.423 1.00 4.96 C ATOM 0 H VAL B 200 27.691 -4.377 -2.256 1.00 4.46 H new ATOM 0 HA VAL B 200 26.601 -4.125 -4.140 1.00 4.74 H new ATOM 0 HB VAL B 200 29.280 -3.733 -5.514 1.00 5.22 H new ATOM 0 HG11 VAL B 200 27.977 -2.331 -7.072 1.00 5.43 H new ATOM 0 HG12 VAL B 200 27.401 -4.014 -7.058 1.00 5.43 H new ATOM 0 HG13 VAL B 200 26.486 -2.754 -6.197 1.00 5.43 H new ATOM 0 HG21 VAL B 200 28.963 -1.331 -5.053 1.00 4.96 H new ATOM 0 HG22 VAL B 200 27.514 -1.714 -4.093 1.00 4.96 H new ATOM 0 HG23 VAL B 200 29.113 -2.280 -3.554 1.00 4.96 H new ATOM 1793 N LYS B 201 26.654 -6.646 -4.719 1.00 5.18 N ATOM 1794 CA LYS B 201 26.509 -7.952 -5.356 1.00 5.84 C ATOM 1795 C LYS B 201 25.204 -8.636 -4.946 1.00 5.78 C ATOM 1796 O LYS B 201 24.796 -9.622 -5.560 1.00 6.37 O ATOM 1797 CB LYS B 201 27.707 -8.853 -5.016 1.00 6.17 C ATOM 1798 CG LYS B 201 27.862 -9.142 -3.528 1.00 5.81 C ATOM 1799 CD LYS B 201 29.305 -9.460 -3.165 1.00 6.12 C ATOM 1800 CE LYS B 201 29.762 -10.780 -3.770 1.00 6.82 C ATOM 1801 NZ LYS B 201 29.073 -11.945 -3.154 1.00 7.02 N ATOM 0 H LYS B 201 25.988 -6.469 -3.967 1.00 5.18 H new ATOM 0 HA LYS B 201 26.479 -7.790 -6.434 1.00 5.84 H new ATOM 0 HB2 LYS B 201 27.601 -9.797 -5.550 1.00 6.17 H new ATOM 0 HB3 LYS B 201 28.619 -8.381 -5.381 1.00 6.17 H new ATOM 0 HG2 LYS B 201 27.523 -8.281 -2.953 1.00 5.81 H new ATOM 0 HG3 LYS B 201 27.224 -9.981 -3.252 1.00 5.81 H new ATOM 0 HD2 LYS B 201 29.953 -8.656 -3.514 1.00 6.12 H new ATOM 0 HD3 LYS B 201 29.406 -9.503 -2.081 1.00 6.12 H new ATOM 0 HE2 LYS B 201 29.571 -10.772 -4.843 1.00 6.82 H new ATOM 0 HE3 LYS B 201 30.839 -10.885 -3.639 1.00 6.82 H new ATOM 0 HZ1 LYS B 201 29.550 -12.823 -3.442 1.00 7.02 H new ATOM 0 HZ2 LYS B 201 29.103 -11.858 -2.118 1.00 7.02 H new ATOM 0 HZ3 LYS B 201 28.083 -11.970 -3.470 1.00 7.02 H new ATOM 1815 N LEU B 202 24.552 -8.121 -3.910 1.00 5.18 N ATOM 1816 CA LEU B 202 23.304 -8.700 -3.433 1.00 5.23 C ATOM 1817 C LEU B 202 22.167 -7.695 -3.531 1.00 4.95 C ATOM 1818 O LEU B 202 22.236 -6.605 -2.962 1.00 4.37 O ATOM 1819 CB LEU B 202 23.446 -9.163 -1.982 1.00 4.91 C ATOM 1820 CG LEU B 202 24.542 -10.197 -1.724 1.00 5.32 C ATOM 1821 CD1 LEU B 202 24.678 -10.459 -0.234 1.00 5.10 C ATOM 1822 CD2 LEU B 202 24.247 -11.492 -2.468 1.00 6.12 C ATOM 0 H LEU B 202 24.867 -7.305 -3.386 1.00 5.18 H new ATOM 0 HA LEU B 202 23.074 -9.558 -4.065 1.00 5.23 H new ATOM 0 HB2 LEU B 202 23.640 -8.291 -1.358 1.00 4.91 H new ATOM 0 HB3 LEU B 202 22.493 -9.581 -1.658 1.00 4.91 H new ATOM 0 HG LEU B 202 25.486 -9.798 -2.096 1.00 5.32 H new ATOM 0 HD11 LEU B 202 25.462 -11.197 -0.064 1.00 5.10 H new ATOM 0 HD12 LEU B 202 24.937 -9.531 0.276 1.00 5.10 H new ATOM 0 HD13 LEU B 202 23.733 -10.837 0.157 1.00 5.10 H new ATOM 0 HD21 LEU B 202 25.040 -12.214 -2.270 1.00 6.12 H new ATOM 0 HD22 LEU B 202 23.294 -11.898 -2.129 1.00 6.12 H new ATOM 0 HD23 LEU B 202 24.196 -11.293 -3.538 1.00 6.12 H new ATOM 1834 N GLY B 203 21.119 -8.065 -4.249 1.00 5.44 N ATOM 1835 CA GLY B 203 19.978 -7.185 -4.401 1.00 5.30 C ATOM 1836 C GLY B 203 18.752 -7.699 -3.671 1.00 5.32 C ATOM 1837 O GLY B 203 17.634 -7.282 -3.961 1.00 5.33 O ATOM 0 H GLY B 203 21.037 -8.960 -4.731 1.00 5.44 H new ATOM 0 HA2 GLY B 203 20.233 -6.195 -4.024 1.00 5.30 H new ATOM 0 HA3 GLY B 203 19.747 -7.073 -5.460 1.00 5.30 H new ATOM 1841 N MET B 204 18.967 -8.593 -2.710 1.00 5.45 N ATOM 1842 CA MET B 204 17.868 -9.174 -1.937 1.00 5.69 C ATOM 1843 C MET B 204 17.117 -8.108 -1.136 1.00 5.11 C ATOM 1844 O MET B 204 15.903 -8.197 -0.955 1.00 5.36 O ATOM 1845 CB MET B 204 18.390 -10.274 -1.000 1.00 6.02 C ATOM 1846 CG MET B 204 19.380 -9.780 0.047 1.00 5.50 C ATOM 1847 SD MET B 204 20.059 -11.113 1.054 1.00 6.01 S ATOM 1848 CE MET B 204 20.966 -12.038 -0.183 1.00 6.67 C ATOM 0 H MET B 204 19.892 -8.933 -2.446 1.00 5.45 H new ATOM 0 HA MET B 204 17.167 -9.616 -2.645 1.00 5.69 H new ATOM 0 HB2 MET B 204 17.543 -10.737 -0.494 1.00 6.02 H new ATOM 0 HB3 MET B 204 18.867 -11.050 -1.598 1.00 6.02 H new ATOM 0 HG2 MET B 204 20.196 -9.255 -0.450 1.00 5.50 H new ATOM 0 HG3 MET B 204 18.885 -9.057 0.696 1.00 5.50 H new ATOM 0 HE1 MET B 204 21.913 -12.376 0.237 1.00 6.67 H new ATOM 0 HE2 MET B 204 20.379 -12.902 -0.495 1.00 6.67 H new ATOM 0 HE3 MET B 204 21.159 -11.400 -1.045 1.00 6.67 H new ATOM 1858 N THR B 205 17.839 -7.103 -0.665 1.00 4.40 N ATOM 1859 CA THR B 205 17.237 -6.026 0.105 1.00 3.86 C ATOM 1860 C THR B 205 17.350 -4.706 -0.645 1.00 3.22 C ATOM 1861 O THR B 205 17.365 -3.640 -0.043 1.00 2.61 O ATOM 1862 CB THR B 205 17.908 -5.891 1.483 1.00 3.67 C ATOM 1863 OG1 THR B 205 18.798 -6.996 1.703 1.00 3.95 O ATOM 1864 CG2 THR B 205 16.867 -5.841 2.591 1.00 4.16 C ATOM 0 H THR B 205 18.845 -7.011 -0.803 1.00 4.40 H new ATOM 0 HA THR B 205 16.184 -6.270 0.249 1.00 3.86 H new ATOM 0 HB THR B 205 18.474 -4.959 1.499 1.00 3.67 H new ATOM 0 HG1 THR B 205 19.223 -6.904 2.581 1.00 3.95 H new ATOM 0 HG21 THR B 205 17.366 -5.745 3.555 1.00 4.16 H new ATOM 0 HG22 THR B 205 16.211 -4.984 2.436 1.00 4.16 H new ATOM 0 HG23 THR B 205 16.277 -6.757 2.577 1.00 4.16 H new ATOM 1872 N ASN B 206 17.428 -4.792 -1.969 1.00 3.55 N ATOM 1873 CA ASN B 206 17.548 -3.605 -2.813 1.00 3.31 C ATOM 1874 C ASN B 206 16.332 -2.698 -2.654 1.00 3.04 C ATOM 1875 O ASN B 206 16.453 -1.470 -2.642 1.00 2.62 O ATOM 1876 CB ASN B 206 17.715 -4.021 -4.278 1.00 4.07 C ATOM 1877 CG ASN B 206 17.698 -2.845 -5.236 1.00 4.18 C ATOM 1878 OD1 ASN B 206 16.650 -2.471 -5.760 1.00 4.40 O ATOM 1879 ND2 ASN B 206 18.864 -2.269 -5.487 1.00 4.21 N ATOM 0 H ASN B 206 17.410 -5.673 -2.483 1.00 3.55 H new ATOM 0 HA ASN B 206 18.429 -3.045 -2.499 1.00 3.31 H new ATOM 0 HB2 ASN B 206 18.655 -4.561 -4.391 1.00 4.07 H new ATOM 0 HB3 ASN B 206 16.916 -4.712 -4.547 1.00 4.07 H new ATOM 0 HD21 ASN B 206 18.916 -1.484 -6.136 1.00 4.21 H new ATOM 0 HD22 ASN B 206 19.710 -2.610 -5.031 1.00 4.21 H new ATOM 1886 N SER B 207 15.165 -3.317 -2.541 1.00 3.47 N ATOM 1887 CA SER B 207 13.910 -2.599 -2.372 1.00 3.42 C ATOM 1888 C SER B 207 12.852 -3.547 -1.826 1.00 3.82 C ATOM 1889 O SER B 207 11.766 -3.686 -2.396 1.00 4.01 O ATOM 1890 CB SER B 207 13.441 -1.994 -3.702 1.00 3.85 C ATOM 1891 OG SER B 207 14.283 -0.927 -4.110 1.00 3.99 O ATOM 0 H SER B 207 15.062 -4.332 -2.564 1.00 3.47 H new ATOM 0 HA SER B 207 14.067 -1.783 -1.667 1.00 3.42 H new ATOM 0 HB2 SER B 207 13.431 -2.766 -4.471 1.00 3.85 H new ATOM 0 HB3 SER B 207 12.418 -1.633 -3.599 1.00 3.85 H new ATOM 0 HG SER B 207 14.997 -0.803 -3.450 1.00 3.99 H new ATOM 1897 N HIS B 208 13.184 -4.212 -0.728 1.00 4.12 N ATOM 1898 CA HIS B 208 12.273 -5.154 -0.101 1.00 4.71 C ATOM 1899 C HIS B 208 12.531 -5.214 1.389 1.00 4.82 C ATOM 1900 O HIS B 208 11.557 -5.121 2.159 1.00 5.20 O ATOM 1901 CB HIS B 208 12.421 -6.552 -0.703 1.00 5.42 C ATOM 1902 CG HIS B 208 11.347 -7.506 -0.268 1.00 6.08 C ATOM 1903 ND1 HIS B 208 10.399 -7.202 0.688 1.00 6.30 N ATOM 1904 CD2 HIS B 208 11.070 -8.762 -0.677 1.00 6.75 C ATOM 1905 CE1 HIS B 208 9.587 -8.231 0.842 1.00 6.95 C ATOM 1906 NE2 HIS B 208 9.974 -9.190 0.026 1.00 7.22 N ATOM 1907 OXT HIS B 208 13.701 -5.358 1.780 1.00 4.71 O ATOM 0 H HIS B 208 14.081 -4.115 -0.253 1.00 4.12 H new ATOM 0 HA HIS B 208 11.256 -4.807 -0.282 1.00 4.71 H new ATOM 0 HB2 HIS B 208 12.409 -6.474 -1.790 1.00 5.42 H new ATOM 0 HB3 HIS B 208 13.393 -6.959 -0.423 1.00 5.42 H new ATOM 0 HD1 HIS B 208 10.336 -6.320 1.196 1.00 6.30 H new ATOM 0 HD2 HIS B 208 11.612 -9.326 -1.421 1.00 6.75 H new ATOM 0 HE1 HIS B 208 8.749 -8.279 1.521 1.00 6.95 H new TER 1916 HIS B 208