USER MOD reduce.3.24.130724 H: found=0, std=0, add=849, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 850 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 108 TYR OH : rot -133:sc= 0.0387 USER MOD Set 1.2: A 112 GLN :FLIP amide:sc= -1.43 F(o=-2.3,f=-1.4) USER MOD Set 2.1: A 22 ASN :FLIP amide:sc= -2.69 F(o=-4.3!,f=-2.1) USER MOD Set 2.2: A 23 ASN : amide:sc= 0.59 X(o=-2.1,f=-2.5) USER MOD Set 3.1: A 13 THR OG1 : rot -89:sc= 0.766 USER MOD Set 3.2: A 16 ASN : amide:sc= -3.24! C(o=-2.5!,f=-5.2!) USER MOD Single : A 9 THR OG1 : rot 100:sc= -0.535 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 66:sc= 0.39 USER MOD Single : A 36 CYS SG : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= -0.258 X(o=-0.26,f=-0.26) USER MOD Single : A 39 CYS SG : rot -150:sc= -1.36 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.152) USER MOD Single : A 46 TYR OH : rot 146:sc= 0.252 USER MOD Single : A 48 LYS NZ :NH3+ -163:sc= -1.33 (180deg=-2.03!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot -32:sc= 0.0726 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -151:sc= -1.36 (180deg=-2.21!) USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.0168 USER MOD Single : A 70 GLN : amide:sc= -1.82 K(o=-1.8,f=-8.1!) USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.0627 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot -12:sc= 0.416! USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 6:sc= -0.149 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 TYR OH : rot 14:sc= 0.767 USER MOD Single : A 97 ASN : amide:sc= -0.0559 K(o=-0.056,f=-0.73) USER MOD Single : A 102 LYS NZ :NH3+ -96:sc= 0.00476 (180deg=-0.684!) USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 MET CE :methyl -171:sc= -1.53 (180deg=-1.86) USER MOD Single : A 113 SER OG : rot -64:sc= 0.995 USER MOD ----------------------------------------------------------------- ATOM 66 N VAL A 8 -0.345 -3.311 -11.889 1.00 0.00 N ATOM 67 CA VAL A 8 0.115 -4.268 -10.890 1.00 0.00 C ATOM 68 C VAL A 8 -0.536 -4.005 -9.537 1.00 0.00 C ATOM 69 O VAL A 8 -0.819 -4.934 -8.779 1.00 0.00 O ATOM 70 CB VAL A 8 1.646 -4.218 -10.729 1.00 0.00 C ATOM 71 CG1 VAL A 8 2.322 -5.089 -11.777 1.00 0.00 C ATOM 72 CG2 VAL A 8 2.144 -2.783 -10.814 1.00 0.00 C ATOM 0 HA VAL A 8 -0.174 -5.258 -11.243 1.00 0.00 H new ATOM 0 HB VAL A 8 1.903 -4.610 -9.745 1.00 0.00 H new ATOM 0 HG11 VAL A 8 3.403 -5.041 -11.648 1.00 0.00 H new ATOM 0 HG12 VAL A 8 1.988 -6.120 -11.663 1.00 0.00 H new ATOM 0 HG13 VAL A 8 2.060 -4.731 -12.772 1.00 0.00 H new ATOM 0 HG21 VAL A 8 3.228 -2.766 -10.698 1.00 0.00 H new ATOM 0 HG22 VAL A 8 1.876 -2.362 -11.783 1.00 0.00 H new ATOM 0 HG23 VAL A 8 1.685 -2.191 -10.022 1.00 0.00 H new ATOM 82 N THR A 9 -0.773 -2.731 -9.238 1.00 0.00 N ATOM 83 CA THR A 9 -1.391 -2.345 -7.975 1.00 0.00 C ATOM 84 C THR A 9 -2.911 -2.404 -8.066 1.00 0.00 C ATOM 85 O THR A 9 -3.499 -2.018 -9.077 1.00 0.00 O ATOM 86 CB THR A 9 -0.968 -0.925 -7.555 1.00 0.00 C ATOM 87 OG1 THR A 9 0.323 -0.618 -8.092 1.00 0.00 O ATOM 88 CG2 THR A 9 -0.936 -0.796 -6.039 1.00 0.00 C ATOM 0 H THR A 9 -0.546 -1.949 -9.853 1.00 0.00 H new ATOM 0 HA THR A 9 -1.047 -3.056 -7.224 1.00 0.00 H new ATOM 0 HB THR A 9 -1.701 -0.221 -7.949 1.00 0.00 H new ATOM 0 HG1 THR A 9 0.220 -0.066 -8.895 1.00 0.00 H new ATOM 0 HG21 THR A 9 -0.635 0.215 -5.766 1.00 0.00 H new ATOM 0 HG22 THR A 9 -1.928 -1.000 -5.635 1.00 0.00 H new ATOM 0 HG23 THR A 9 -0.223 -1.510 -5.628 1.00 0.00 H new ATOM 96 N LEU A 10 -3.544 -2.890 -7.004 1.00 0.00 N ATOM 97 CA LEU A 10 -4.998 -3.000 -6.963 1.00 0.00 C ATOM 98 C LEU A 10 -5.601 -1.921 -6.069 1.00 0.00 C ATOM 99 O LEU A 10 -5.097 -1.652 -4.979 1.00 0.00 O ATOM 100 CB LEU A 10 -5.411 -4.384 -6.461 1.00 0.00 C ATOM 101 CG LEU A 10 -4.640 -5.568 -7.045 1.00 0.00 C ATOM 102 CD1 LEU A 10 -4.554 -6.701 -6.034 1.00 0.00 C ATOM 103 CD2 LEU A 10 -5.295 -6.048 -8.333 1.00 0.00 C ATOM 0 H LEU A 10 -3.073 -3.214 -6.159 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.377 -2.860 -7.976 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -5.300 -4.403 -5.377 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -6.470 -4.525 -6.675 1.00 0.00 H new ATOM 0 HG LEU A 10 -3.627 -5.238 -7.277 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -4.002 -7.535 -6.468 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -4.040 -6.352 -5.139 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -5.559 -7.030 -5.770 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.733 -6.891 -8.735 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -6.319 -6.360 -8.126 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -5.303 -5.237 -9.061 1.00 0.00 H new ATOM 115 N SER A 11 -6.683 -1.308 -6.538 1.00 0.00 N ATOM 116 CA SER A 11 -7.354 -0.257 -5.781 1.00 0.00 C ATOM 117 C SER A 11 -8.525 -0.824 -4.985 1.00 0.00 C ATOM 118 O SER A 11 -9.616 -1.023 -5.519 1.00 0.00 O ATOM 119 CB SER A 11 -7.848 0.842 -6.723 1.00 0.00 C ATOM 120 OG SER A 11 -8.519 1.865 -6.007 1.00 0.00 O ATOM 0 H SER A 11 -7.114 -1.521 -7.438 1.00 0.00 H new ATOM 0 HA SER A 11 -6.635 0.169 -5.082 1.00 0.00 H new ATOM 0 HB2 SER A 11 -7.003 1.267 -7.265 1.00 0.00 H new ATOM 0 HB3 SER A 11 -8.520 0.413 -7.466 1.00 0.00 H new ATOM 0 HG SER A 11 -8.823 2.556 -6.632 1.00 0.00 H new ATOM 126 N LEU A 12 -8.290 -1.082 -3.703 1.00 0.00 N ATOM 127 CA LEU A 12 -9.324 -1.627 -2.830 1.00 0.00 C ATOM 128 C LEU A 12 -10.149 -0.510 -2.200 1.00 0.00 C ATOM 129 O LEU A 12 -9.603 0.461 -1.675 1.00 0.00 O ATOM 130 CB LEU A 12 -8.693 -2.490 -1.735 1.00 0.00 C ATOM 131 CG LEU A 12 -7.679 -3.534 -2.204 1.00 0.00 C ATOM 132 CD1 LEU A 12 -6.746 -3.921 -1.067 1.00 0.00 C ATOM 133 CD2 LEU A 12 -8.392 -4.761 -2.753 1.00 0.00 C ATOM 0 H LEU A 12 -7.393 -0.923 -3.245 1.00 0.00 H new ATOM 0 HA LEU A 12 -9.986 -2.246 -3.435 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -8.201 -1.831 -1.019 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -9.492 -3.003 -1.199 1.00 0.00 H new ATOM 0 HG LEU A 12 -7.081 -3.098 -3.004 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -6.032 -4.665 -1.420 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -6.209 -3.038 -0.720 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -7.328 -4.338 -0.245 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -7.655 -5.493 -3.082 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -9.015 -5.199 -1.973 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -9.017 -4.471 -3.597 1.00 0.00 H new ATOM 145 N THR A 13 -11.470 -0.653 -2.255 1.00 0.00 N ATOM 146 CA THR A 13 -12.371 0.343 -1.689 1.00 0.00 C ATOM 147 C THR A 13 -13.247 -0.264 -0.599 1.00 0.00 C ATOM 148 O THR A 13 -13.365 -1.484 -0.491 1.00 0.00 O ATOM 149 CB THR A 13 -13.274 0.962 -2.772 1.00 0.00 C ATOM 150 OG1 THR A 13 -14.087 -0.053 -3.372 1.00 0.00 O ATOM 151 CG2 THR A 13 -12.442 1.651 -3.843 1.00 0.00 C ATOM 0 H THR A 13 -11.939 -1.449 -2.686 1.00 0.00 H new ATOM 0 HA THR A 13 -11.747 1.125 -1.256 1.00 0.00 H new ATOM 0 HB THR A 13 -13.914 1.706 -2.297 1.00 0.00 H new ATOM 0 HG1 THR A 13 -13.613 -0.443 -4.136 1.00 0.00 H new ATOM 0 HG21 THR A 13 -13.102 2.080 -4.597 1.00 0.00 H new ATOM 0 HG22 THR A 13 -11.847 2.443 -3.388 1.00 0.00 H new ATOM 0 HG23 THR A 13 -11.780 0.924 -4.313 1.00 0.00 H new ATOM 159 N LYS A 14 -13.859 0.596 0.208 1.00 0.00 N ATOM 160 CA LYS A 14 -14.727 0.145 1.290 1.00 0.00 C ATOM 161 C LYS A 14 -15.840 -0.751 0.757 1.00 0.00 C ATOM 162 O LYS A 14 -16.564 -1.382 1.528 1.00 0.00 O ATOM 163 CB LYS A 14 -15.330 1.347 2.021 1.00 0.00 C ATOM 164 CG LYS A 14 -16.487 1.993 1.278 1.00 0.00 C ATOM 165 CD LYS A 14 -16.803 3.373 1.830 1.00 0.00 C ATOM 166 CE LYS A 14 -17.483 4.247 0.788 1.00 0.00 C ATOM 167 NZ LYS A 14 -18.912 3.873 0.597 1.00 0.00 N ATOM 0 H LYS A 14 -13.770 1.609 0.133 1.00 0.00 H new ATOM 0 HA LYS A 14 -14.124 -0.433 1.990 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -15.674 1.028 3.005 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -14.551 2.092 2.182 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -16.242 2.071 0.219 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -17.370 1.358 1.355 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -17.448 3.278 2.704 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -15.883 3.852 2.164 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -17.419 5.292 1.092 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -16.954 4.158 -0.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -19.340 4.492 -0.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -18.973 2.884 0.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -19.423 3.982 1.496 1.00 0.00 H new ATOM 181 N ASP A 15 -15.970 -0.803 -0.564 1.00 0.00 N ATOM 182 CA ASP A 15 -16.994 -1.625 -1.199 1.00 0.00 C ATOM 183 C ASP A 15 -16.413 -2.959 -1.657 1.00 0.00 C ATOM 184 O ASP A 15 -17.124 -3.959 -1.745 1.00 0.00 O ATOM 185 CB ASP A 15 -17.605 -0.885 -2.390 1.00 0.00 C ATOM 186 CG ASP A 15 -18.752 -1.651 -3.021 1.00 0.00 C ATOM 187 OD1 ASP A 15 -19.456 -2.375 -2.287 1.00 0.00 O ATOM 188 OD2 ASP A 15 -18.944 -1.526 -4.248 1.00 0.00 O ATOM 0 H ASP A 15 -15.380 -0.286 -1.216 1.00 0.00 H new ATOM 0 HA ASP A 15 -17.774 -1.822 -0.464 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -17.961 0.092 -2.063 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -16.833 -0.709 -3.140 1.00 0.00 H new ATOM 193 N ASN A 16 -15.116 -2.965 -1.948 1.00 0.00 N ATOM 194 CA ASN A 16 -14.440 -4.176 -2.399 1.00 0.00 C ATOM 195 C ASN A 16 -13.107 -4.356 -1.678 1.00 0.00 C ATOM 196 O ASN A 16 -12.138 -4.847 -2.256 1.00 0.00 O ATOM 197 CB ASN A 16 -14.212 -4.125 -3.911 1.00 0.00 C ATOM 198 CG ASN A 16 -13.450 -2.886 -4.339 1.00 0.00 C ATOM 199 OD1 ASN A 16 -14.026 -1.952 -4.898 1.00 0.00 O ATOM 200 ND2 ASN A 16 -12.148 -2.873 -4.079 1.00 0.00 N ATOM 0 H ASN A 16 -14.513 -2.145 -1.880 1.00 0.00 H new ATOM 0 HA ASN A 16 -15.078 -5.028 -2.163 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -13.662 -5.013 -4.223 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -15.174 -4.151 -4.422 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -11.583 -2.066 -4.345 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -11.713 -3.670 -3.614 1.00 0.00 H new ATOM 207 N PHE A 17 -13.067 -3.954 -0.412 1.00 0.00 N ATOM 208 CA PHE A 17 -11.854 -4.070 0.389 1.00 0.00 C ATOM 209 C PHE A 17 -11.831 -5.389 1.156 1.00 0.00 C ATOM 210 O PHE A 17 -10.815 -6.083 1.189 1.00 0.00 O ATOM 211 CB PHE A 17 -11.748 -2.897 1.366 1.00 0.00 C ATOM 212 CG PHE A 17 -10.526 -2.951 2.238 1.00 0.00 C ATOM 213 CD1 PHE A 17 -10.508 -3.739 3.378 1.00 0.00 C ATOM 214 CD2 PHE A 17 -9.397 -2.216 1.917 1.00 0.00 C ATOM 215 CE1 PHE A 17 -9.385 -3.790 4.183 1.00 0.00 C ATOM 216 CE2 PHE A 17 -8.271 -2.264 2.718 1.00 0.00 C ATOM 217 CZ PHE A 17 -8.265 -3.052 3.852 1.00 0.00 C ATOM 0 H PHE A 17 -13.861 -3.545 0.081 1.00 0.00 H new ATOM 0 HA PHE A 17 -11.000 -4.049 -0.287 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -11.741 -1.964 0.802 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -12.635 -2.880 1.999 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -11.380 -4.319 3.640 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -9.396 -1.598 1.031 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -9.383 -4.406 5.070 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -7.397 -1.686 2.457 1.00 0.00 H new ATOM 0 HZ PHE A 17 -7.386 -3.091 4.479 1.00 0.00 H new ATOM 227 N ASP A 18 -12.959 -5.727 1.771 1.00 0.00 N ATOM 228 CA ASP A 18 -13.071 -6.963 2.537 1.00 0.00 C ATOM 229 C ASP A 18 -13.479 -8.125 1.638 1.00 0.00 C ATOM 230 O ASP A 18 -13.490 -9.280 2.065 1.00 0.00 O ATOM 231 CB ASP A 18 -14.086 -6.796 3.669 1.00 0.00 C ATOM 232 CG ASP A 18 -13.968 -7.884 4.718 1.00 0.00 C ATOM 233 OD1 ASP A 18 -13.197 -7.697 5.681 1.00 0.00 O ATOM 234 OD2 ASP A 18 -14.647 -8.923 4.575 1.00 0.00 O ATOM 0 H ASP A 18 -13.809 -5.163 1.754 1.00 0.00 H new ATOM 0 HA ASP A 18 -12.094 -7.186 2.966 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -13.943 -5.824 4.141 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -15.094 -6.804 3.254 1.00 0.00 H new ATOM 239 N ASP A 19 -13.815 -7.812 0.391 1.00 0.00 N ATOM 240 CA ASP A 19 -14.225 -8.831 -0.569 1.00 0.00 C ATOM 241 C ASP A 19 -13.049 -9.258 -1.442 1.00 0.00 C ATOM 242 O ASP A 19 -13.042 -10.357 -1.998 1.00 0.00 O ATOM 243 CB ASP A 19 -15.363 -8.307 -1.446 1.00 0.00 C ATOM 244 CG ASP A 19 -15.862 -9.348 -2.429 1.00 0.00 C ATOM 245 OD1 ASP A 19 -16.044 -10.513 -2.018 1.00 0.00 O ATOM 246 OD2 ASP A 19 -16.070 -8.997 -3.610 1.00 0.00 O ATOM 0 H ASP A 19 -13.812 -6.861 0.021 1.00 0.00 H new ATOM 0 HA ASP A 19 -14.576 -9.700 -0.012 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -16.189 -7.986 -0.811 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -15.021 -7.429 -1.994 1.00 0.00 H new ATOM 251 N VAL A 20 -12.056 -8.382 -1.559 1.00 0.00 N ATOM 252 CA VAL A 20 -10.875 -8.669 -2.364 1.00 0.00 C ATOM 253 C VAL A 20 -9.731 -9.184 -1.498 1.00 0.00 C ATOM 254 O VAL A 20 -9.139 -10.225 -1.787 1.00 0.00 O ATOM 255 CB VAL A 20 -10.401 -7.419 -3.130 1.00 0.00 C ATOM 256 CG1 VAL A 20 -9.074 -7.689 -3.823 1.00 0.00 C ATOM 257 CG2 VAL A 20 -11.456 -6.979 -4.134 1.00 0.00 C ATOM 0 H VAL A 20 -12.046 -7.468 -1.107 1.00 0.00 H new ATOM 0 HA VAL A 20 -11.160 -9.440 -3.080 1.00 0.00 H new ATOM 0 HB VAL A 20 -10.252 -6.610 -2.415 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -8.755 -6.795 -4.359 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -8.322 -7.954 -3.079 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -9.193 -8.512 -4.528 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -11.105 -6.095 -4.666 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -11.638 -7.783 -4.847 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -12.382 -6.743 -3.609 1.00 0.00 H new ATOM 267 N VAL A 21 -9.424 -8.450 -0.434 1.00 0.00 N ATOM 268 CA VAL A 21 -8.352 -8.833 0.477 1.00 0.00 C ATOM 269 C VAL A 21 -8.581 -10.232 1.037 1.00 0.00 C ATOM 270 O VAL A 21 -7.660 -11.046 1.096 1.00 0.00 O ATOM 271 CB VAL A 21 -8.226 -7.838 1.646 1.00 0.00 C ATOM 272 CG1 VAL A 21 -7.285 -8.382 2.711 1.00 0.00 C ATOM 273 CG2 VAL A 21 -7.749 -6.484 1.143 1.00 0.00 C ATOM 0 H VAL A 21 -9.903 -7.586 -0.181 1.00 0.00 H new ATOM 0 HA VAL A 21 -7.427 -8.822 -0.100 1.00 0.00 H new ATOM 0 HB VAL A 21 -9.210 -7.707 2.097 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -7.208 -7.666 3.529 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.673 -9.327 3.091 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.298 -8.544 2.277 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -7.665 -5.793 1.982 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -6.775 -6.595 0.666 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -8.464 -6.092 0.420 1.00 0.00 H new ATOM 283 N ASN A 22 -9.815 -10.505 1.447 1.00 0.00 N ATOM 284 CA ASN A 22 -10.166 -11.807 2.004 1.00 0.00 C ATOM 285 C ASN A 22 -9.861 -12.923 1.009 1.00 0.00 C ATOM 286 O ASN A 22 -9.670 -14.076 1.394 1.00 0.00 O ATOM 287 CB ASN A 22 -11.647 -11.839 2.386 1.00 0.00 C ATOM 288 CG ASN A 22 -12.529 -12.307 1.244 1.00 0.00 C ATOM 289 OD1 ASN A 22 -13.080 -11.358 0.497 1.00 0.00 O flip ATOM 290 ND2 ASN A 22 -12.711 -13.506 1.037 1.00 0.00 N flip ATOM 0 H ASN A 22 -10.589 -9.842 1.404 1.00 0.00 H new ATOM 0 HA ASN A 22 -9.564 -11.967 2.899 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -11.784 -12.500 3.242 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -11.960 -10.843 2.699 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -12.267 -14.200 1.638 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -13.306 -13.806 0.265 1.00 0.00 H new ATOM 297 N ASN A 23 -9.818 -12.571 -0.272 1.00 0.00 N ATOM 298 CA ASN A 23 -9.536 -13.543 -1.322 1.00 0.00 C ATOM 299 C ASN A 23 -8.072 -13.477 -1.747 1.00 0.00 C ATOM 300 O ASN A 23 -7.694 -14.006 -2.792 1.00 0.00 O ATOM 301 CB ASN A 23 -10.441 -13.295 -2.531 1.00 0.00 C ATOM 302 CG ASN A 23 -11.844 -13.834 -2.323 1.00 0.00 C ATOM 303 OD1 ASN A 23 -12.107 -15.015 -2.548 1.00 0.00 O ATOM 304 ND2 ASN A 23 -12.752 -12.967 -1.890 1.00 0.00 N ATOM 0 H ASN A 23 -9.975 -11.621 -0.608 1.00 0.00 H new ATOM 0 HA ASN A 23 -9.735 -14.538 -0.924 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -10.492 -12.225 -2.730 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -10.002 -13.763 -3.412 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -13.712 -13.271 -1.731 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -12.489 -11.997 -1.717 1.00 0.00 H new ATOM 311 N ALA A 24 -7.254 -12.823 -0.929 1.00 0.00 N ATOM 312 CA ALA A 24 -5.831 -12.690 -1.218 1.00 0.00 C ATOM 313 C ALA A 24 -4.986 -13.317 -0.115 1.00 0.00 C ATOM 314 O ALA A 24 -4.723 -12.690 0.912 1.00 0.00 O ATOM 315 CB ALA A 24 -5.465 -11.224 -1.398 1.00 0.00 C ATOM 0 H ALA A 24 -7.552 -12.377 -0.061 1.00 0.00 H new ATOM 0 HA ALA A 24 -5.622 -13.222 -2.146 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.400 -11.139 -1.613 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -6.037 -10.805 -2.226 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -5.695 -10.677 -0.484 1.00 0.00 H new ATOM 321 N ASP A 25 -4.563 -14.557 -0.333 1.00 0.00 N ATOM 322 CA ASP A 25 -3.746 -15.269 0.643 1.00 0.00 C ATOM 323 C ASP A 25 -2.780 -14.317 1.341 1.00 0.00 C ATOM 324 O ASP A 25 -2.644 -14.343 2.565 1.00 0.00 O ATOM 325 CB ASP A 25 -2.968 -16.397 -0.037 1.00 0.00 C ATOM 326 CG ASP A 25 -1.895 -16.982 0.859 1.00 0.00 C ATOM 327 OD1 ASP A 25 -2.185 -17.233 2.048 1.00 0.00 O ATOM 328 OD2 ASP A 25 -0.764 -17.190 0.372 1.00 0.00 O ATOM 0 H ASP A 25 -4.772 -15.090 -1.177 1.00 0.00 H new ATOM 0 HA ASP A 25 -4.411 -15.698 1.393 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -3.660 -17.185 -0.332 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -2.508 -16.018 -0.950 1.00 0.00 H new ATOM 333 N ILE A 26 -2.112 -13.480 0.556 1.00 0.00 N ATOM 334 CA ILE A 26 -1.159 -12.520 1.099 1.00 0.00 C ATOM 335 C ILE A 26 -1.128 -11.243 0.265 1.00 0.00 C ATOM 336 O ILE A 26 -0.605 -11.231 -0.849 1.00 0.00 O ATOM 337 CB ILE A 26 0.262 -13.112 1.164 1.00 0.00 C ATOM 338 CG1 ILE A 26 1.268 -12.035 1.575 1.00 0.00 C ATOM 339 CG2 ILE A 26 0.644 -13.718 -0.178 1.00 0.00 C ATOM 340 CD1 ILE A 26 2.590 -12.594 2.053 1.00 0.00 C ATOM 0 H ILE A 26 -2.213 -13.447 -0.458 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.492 -12.283 2.110 1.00 0.00 H new ATOM 0 HB ILE A 26 0.278 -13.902 1.915 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.447 -11.374 0.727 1.00 0.00 H new ATOM 0 HG13 ILE A 26 0.833 -11.426 2.367 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.650 -14.132 -0.117 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.060 -14.510 -0.433 1.00 0.00 H new ATOM 0 HG23 ILE A 26 0.615 -12.946 -0.947 1.00 0.00 H new ATOM 0 HD11 ILE A 26 3.254 -11.774 2.328 1.00 0.00 H new ATOM 0 HD12 ILE A 26 2.423 -13.232 2.921 1.00 0.00 H new ATOM 0 HD13 ILE A 26 3.047 -13.179 1.255 1.00 0.00 H new ATOM 352 N ILE A 27 -1.691 -10.172 0.813 1.00 0.00 N ATOM 353 CA ILE A 27 -1.725 -8.889 0.121 1.00 0.00 C ATOM 354 C ILE A 27 -1.349 -7.748 1.060 1.00 0.00 C ATOM 355 O ILE A 27 -1.617 -7.803 2.261 1.00 0.00 O ATOM 356 CB ILE A 27 -3.116 -8.610 -0.477 1.00 0.00 C ATOM 357 CG1 ILE A 27 -3.053 -7.417 -1.434 1.00 0.00 C ATOM 358 CG2 ILE A 27 -4.128 -8.355 0.630 1.00 0.00 C ATOM 359 CD1 ILE A 27 -4.155 -7.415 -2.471 1.00 0.00 C ATOM 0 H ILE A 27 -2.130 -10.167 1.734 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.996 -8.946 -0.687 1.00 0.00 H new ATOM 0 HB ILE A 27 -3.436 -9.487 -1.039 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -3.108 -6.495 -0.856 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -2.088 -7.419 -1.941 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -5.106 -8.159 0.191 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -4.189 -9.231 1.276 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -3.815 -7.492 1.217 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -4.048 -6.542 -3.114 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -4.088 -8.320 -3.074 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -5.124 -7.382 -1.972 1.00 0.00 H new ATOM 371 N LEU A 28 -0.729 -6.712 0.505 1.00 0.00 N ATOM 372 CA LEU A 28 -0.318 -5.555 1.291 1.00 0.00 C ATOM 373 C LEU A 28 -1.112 -4.315 0.893 1.00 0.00 C ATOM 374 O LEU A 28 -1.268 -4.019 -0.292 1.00 0.00 O ATOM 375 CB LEU A 28 1.179 -5.296 1.110 1.00 0.00 C ATOM 376 CG LEU A 28 1.731 -4.045 1.793 1.00 0.00 C ATOM 377 CD1 LEU A 28 1.632 -4.174 3.305 1.00 0.00 C ATOM 378 CD2 LEU A 28 3.173 -3.799 1.371 1.00 0.00 C ATOM 0 H LEU A 28 -0.500 -6.650 -0.487 1.00 0.00 H new ATOM 0 HA LEU A 28 -0.519 -5.771 2.340 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.725 -6.161 1.485 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.389 -5.225 0.043 1.00 0.00 H new ATOM 0 HG LEU A 28 1.131 -3.190 1.482 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.030 -3.274 3.774 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.588 -4.301 3.592 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.207 -5.039 3.635 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.550 -2.904 1.867 1.00 0.00 H new ATOM 0 HD22 LEU A 28 3.786 -4.655 1.653 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.217 -3.661 0.291 1.00 0.00 H new ATOM 390 N VAL A 29 -1.611 -3.592 1.890 1.00 0.00 N ATOM 391 CA VAL A 29 -2.386 -2.382 1.644 1.00 0.00 C ATOM 392 C VAL A 29 -1.641 -1.144 2.129 1.00 0.00 C ATOM 393 O VAL A 29 -1.131 -1.113 3.249 1.00 0.00 O ATOM 394 CB VAL A 29 -3.760 -2.445 2.338 1.00 0.00 C ATOM 395 CG1 VAL A 29 -4.407 -1.069 2.367 1.00 0.00 C ATOM 396 CG2 VAL A 29 -4.662 -3.453 1.642 1.00 0.00 C ATOM 0 H VAL A 29 -1.492 -3.823 2.876 1.00 0.00 H new ATOM 0 HA VAL A 29 -2.534 -2.315 0.566 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.614 -2.773 3.367 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -5.377 -1.133 2.861 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -3.766 -0.377 2.914 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -4.542 -0.709 1.347 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -5.628 -3.485 2.145 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.804 -3.158 0.602 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -4.201 -4.440 1.679 1.00 0.00 H new ATOM 406 N GLU A 30 -1.582 -0.124 1.278 1.00 0.00 N ATOM 407 CA GLU A 30 -0.898 1.117 1.621 1.00 0.00 C ATOM 408 C GLU A 30 -1.851 2.306 1.533 1.00 0.00 C ATOM 409 O GLU A 30 -2.254 2.713 0.443 1.00 0.00 O ATOM 410 CB GLU A 30 0.299 1.339 0.693 1.00 0.00 C ATOM 411 CG GLU A 30 0.690 2.800 0.543 1.00 0.00 C ATOM 412 CD GLU A 30 0.549 3.577 1.837 1.00 0.00 C ATOM 413 OE1 GLU A 30 0.549 2.944 2.913 1.00 0.00 O ATOM 414 OE2 GLU A 30 0.439 4.820 1.773 1.00 0.00 O ATOM 0 H GLU A 30 -1.999 -0.133 0.347 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.542 1.034 2.648 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.153 0.780 1.076 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.066 0.931 -0.291 1.00 0.00 H new ATOM 0 HG2 GLU A 30 1.722 2.862 0.197 1.00 0.00 H new ATOM 0 HG3 GLU A 30 0.068 3.262 -0.224 1.00 0.00 H new ATOM 421 N PHE A 31 -2.208 2.858 2.688 1.00 0.00 N ATOM 422 CA PHE A 31 -3.115 3.998 2.742 1.00 0.00 C ATOM 423 C PHE A 31 -2.380 5.294 2.411 1.00 0.00 C ATOM 424 O PHE A 31 -1.565 5.777 3.198 1.00 0.00 O ATOM 425 CB PHE A 31 -3.755 4.102 4.128 1.00 0.00 C ATOM 426 CG PHE A 31 -4.562 2.893 4.507 1.00 0.00 C ATOM 427 CD1 PHE A 31 -5.872 2.755 4.078 1.00 0.00 C ATOM 428 CD2 PHE A 31 -4.010 1.895 5.294 1.00 0.00 C ATOM 429 CE1 PHE A 31 -6.617 1.644 4.425 1.00 0.00 C ATOM 430 CE2 PHE A 31 -4.750 0.781 5.644 1.00 0.00 C ATOM 431 CZ PHE A 31 -6.056 0.656 5.210 1.00 0.00 C ATOM 0 H PHE A 31 -1.883 2.534 3.599 1.00 0.00 H new ATOM 0 HA PHE A 31 -3.897 3.844 1.998 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -2.972 4.254 4.871 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -4.398 4.982 4.158 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -6.316 3.525 3.465 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -2.990 1.988 5.638 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -7.637 1.549 4.083 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -4.308 0.009 6.256 1.00 0.00 H new ATOM 0 HZ PHE A 31 -6.637 -0.212 5.484 1.00 0.00 H new ATOM 441 N TYR A 32 -2.673 5.851 1.242 1.00 0.00 N ATOM 442 CA TYR A 32 -2.038 7.088 0.804 1.00 0.00 C ATOM 443 C TYR A 32 -3.080 8.171 0.541 1.00 0.00 C ATOM 444 O TYR A 32 -4.272 7.887 0.429 1.00 0.00 O ATOM 445 CB TYR A 32 -1.211 6.843 -0.459 1.00 0.00 C ATOM 446 CG TYR A 32 -2.040 6.777 -1.722 1.00 0.00 C ATOM 447 CD1 TYR A 32 -2.591 5.577 -2.153 1.00 0.00 C ATOM 448 CD2 TYR A 32 -2.271 7.915 -2.486 1.00 0.00 C ATOM 449 CE1 TYR A 32 -3.349 5.511 -3.306 1.00 0.00 C ATOM 450 CE2 TYR A 32 -3.028 7.859 -3.639 1.00 0.00 C ATOM 451 CZ TYR A 32 -3.565 6.655 -4.046 1.00 0.00 C ATOM 452 OH TYR A 32 -4.318 6.595 -5.196 1.00 0.00 O ATOM 0 H TYR A 32 -3.347 5.465 0.580 1.00 0.00 H new ATOM 0 HA TYR A 32 -1.378 7.430 1.601 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -0.473 7.639 -0.560 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -0.660 5.909 -0.347 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -2.424 4.679 -1.576 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -1.851 8.859 -2.172 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -3.770 4.569 -3.626 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -3.199 8.753 -4.220 1.00 0.00 H new ATOM 0 HH TYR A 32 -5.244 6.367 -4.969 1.00 0.00 H new ATOM 462 N ALA A 33 -2.620 9.414 0.443 1.00 0.00 N ATOM 463 CA ALA A 33 -3.511 10.541 0.190 1.00 0.00 C ATOM 464 C ALA A 33 -3.014 11.381 -0.982 1.00 0.00 C ATOM 465 O ALA A 33 -1.828 11.691 -1.096 1.00 0.00 O ATOM 466 CB ALA A 33 -3.642 11.399 1.439 1.00 0.00 C ATOM 0 H ALA A 33 -1.636 9.666 0.535 1.00 0.00 H new ATOM 0 HA ALA A 33 -4.493 10.146 -0.071 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -4.310 12.237 1.237 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -4.050 10.798 2.252 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -2.661 11.778 1.725 1.00 0.00 H new ATOM 472 N PRO A 34 -3.941 11.758 -1.875 1.00 0.00 N ATOM 473 CA PRO A 34 -3.621 12.567 -3.055 1.00 0.00 C ATOM 474 C PRO A 34 -3.247 14.000 -2.691 1.00 0.00 C ATOM 475 O PRO A 34 -3.001 14.828 -3.567 1.00 0.00 O ATOM 476 CB PRO A 34 -4.919 12.542 -3.865 1.00 0.00 C ATOM 477 CG PRO A 34 -5.990 12.299 -2.858 1.00 0.00 C ATOM 478 CD PRO A 34 -5.374 11.424 -1.802 1.00 0.00 C ATOM 0 HA PRO A 34 -2.758 12.177 -3.595 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -5.076 13.484 -4.390 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -4.900 11.756 -4.620 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -6.344 13.237 -2.430 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -6.852 11.812 -3.314 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -5.786 11.635 -0.815 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -5.551 10.367 -2.002 1.00 0.00 H new ATOM 486 N TRP A 35 -3.206 14.284 -1.394 1.00 0.00 N ATOM 487 CA TRP A 35 -2.862 15.618 -0.915 1.00 0.00 C ATOM 488 C TRP A 35 -1.565 15.590 -0.113 1.00 0.00 C ATOM 489 O TRP A 35 -0.914 16.620 0.066 1.00 0.00 O ATOM 490 CB TRP A 35 -3.995 16.182 -0.056 1.00 0.00 C ATOM 491 CG TRP A 35 -4.411 15.266 1.055 1.00 0.00 C ATOM 492 CD1 TRP A 35 -5.543 14.503 1.107 1.00 0.00 C ATOM 493 CD2 TRP A 35 -3.702 15.019 2.273 1.00 0.00 C ATOM 494 NE1 TRP A 35 -5.579 13.796 2.284 1.00 0.00 N ATOM 495 CE2 TRP A 35 -4.461 14.094 3.017 1.00 0.00 C ATOM 496 CE3 TRP A 35 -2.498 15.486 2.807 1.00 0.00 C ATOM 497 CZ2 TRP A 35 -4.054 13.632 4.266 1.00 0.00 C ATOM 498 CZ3 TRP A 35 -2.096 15.027 4.047 1.00 0.00 C ATOM 499 CH2 TRP A 35 -2.872 14.107 4.765 1.00 0.00 C ATOM 0 H TRP A 35 -3.406 13.609 -0.656 1.00 0.00 H new ATOM 0 HA TRP A 35 -2.718 16.263 -1.782 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -3.680 17.136 0.368 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -4.857 16.385 -0.692 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -6.298 14.462 0.336 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -6.319 13.153 2.567 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -1.892 16.193 2.260 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -4.651 12.923 4.821 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -1.168 15.383 4.470 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -2.530 13.766 5.731 1.00 0.00 H new ATOM 510 N CYS A 36 -1.196 14.408 0.366 1.00 0.00 N ATOM 511 CA CYS A 36 0.024 14.247 1.149 1.00 0.00 C ATOM 512 C CYS A 36 1.249 14.195 0.243 1.00 0.00 C ATOM 513 O CYS A 36 1.295 13.421 -0.712 1.00 0.00 O ATOM 514 CB CYS A 36 -0.053 12.976 1.996 1.00 0.00 C ATOM 515 SG CYS A 36 1.087 12.954 3.399 1.00 0.00 S ATOM 0 H CYS A 36 -1.724 13.547 0.226 1.00 0.00 H new ATOM 0 HA CYS A 36 0.119 15.110 1.809 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -1.071 12.861 2.367 1.00 0.00 H new ATOM 0 HB3 CYS A 36 0.154 12.115 1.360 1.00 0.00 H new ATOM 0 HG CYS A 36 0.946 11.841 4.055 1.00 0.00 H new ATOM 521 N GLY A 37 2.241 15.026 0.548 1.00 0.00 N ATOM 522 CA GLY A 37 3.453 15.060 -0.250 1.00 0.00 C ATOM 523 C GLY A 37 4.298 13.814 -0.074 1.00 0.00 C ATOM 524 O GLY A 37 4.544 13.082 -1.033 1.00 0.00 O ATOM 0 H GLY A 37 2.227 15.676 1.334 1.00 0.00 H new ATOM 0 HA2 GLY A 37 3.189 15.171 -1.302 1.00 0.00 H new ATOM 0 HA3 GLY A 37 4.041 15.936 0.025 1.00 0.00 H new ATOM 528 N HIS A 38 4.745 13.572 1.154 1.00 0.00 N ATOM 529 CA HIS A 38 5.569 12.406 1.452 1.00 0.00 C ATOM 530 C HIS A 38 5.152 11.214 0.596 1.00 0.00 C ATOM 531 O HIS A 38 5.995 10.438 0.144 1.00 0.00 O ATOM 532 CB HIS A 38 5.463 12.046 2.934 1.00 0.00 C ATOM 533 CG HIS A 38 5.583 13.227 3.848 1.00 0.00 C ATOM 534 ND1 HIS A 38 4.676 13.499 4.849 1.00 0.00 N ATOM 535 CD2 HIS A 38 6.513 14.209 3.907 1.00 0.00 C ATOM 536 CE1 HIS A 38 5.041 14.598 5.485 1.00 0.00 C ATOM 537 NE2 HIS A 38 6.153 15.048 4.933 1.00 0.00 N ATOM 0 H HIS A 38 4.551 14.168 1.959 1.00 0.00 H new ATOM 0 HA HIS A 38 6.605 12.654 1.219 1.00 0.00 H new ATOM 0 HB2 HIS A 38 4.507 11.555 3.112 1.00 0.00 H new ATOM 0 HB3 HIS A 38 6.243 11.325 3.181 1.00 0.00 H new ATOM 0 HD2 HIS A 38 7.377 14.313 3.267 1.00 0.00 H new ATOM 0 HE1 HIS A 38 4.519 15.051 6.315 1.00 0.00 H new ATOM 0 HE2 HIS A 38 6.662 15.883 5.222 1.00 0.00 H new ATOM 546 N CYS A 39 3.849 11.074 0.379 1.00 0.00 N ATOM 547 CA CYS A 39 3.321 9.975 -0.422 1.00 0.00 C ATOM 548 C CYS A 39 3.871 10.025 -1.843 1.00 0.00 C ATOM 549 O CYS A 39 4.316 9.012 -2.385 1.00 0.00 O ATOM 550 CB CYS A 39 1.793 10.026 -0.451 1.00 0.00 C ATOM 551 SG CYS A 39 1.056 9.244 -1.905 1.00 0.00 S ATOM 0 H CYS A 39 3.139 11.707 0.746 1.00 0.00 H new ATOM 0 HA CYS A 39 3.637 9.038 0.037 1.00 0.00 H new ATOM 0 HB2 CYS A 39 1.407 9.540 0.445 1.00 0.00 H new ATOM 0 HB3 CYS A 39 1.474 11.068 -0.411 1.00 0.00 H new ATOM 0 HG CYS A 39 -0.067 9.833 -2.192 1.00 0.00 H new ATOM 557 N LYS A 40 3.837 11.209 -2.444 1.00 0.00 N ATOM 558 CA LYS A 40 4.331 11.393 -3.804 1.00 0.00 C ATOM 559 C LYS A 40 5.630 10.623 -4.019 1.00 0.00 C ATOM 560 O LYS A 40 5.977 10.273 -5.147 1.00 0.00 O ATOM 561 CB LYS A 40 4.553 12.879 -4.091 1.00 0.00 C ATOM 562 CG LYS A 40 3.300 13.604 -4.549 1.00 0.00 C ATOM 563 CD LYS A 40 2.140 13.369 -3.595 1.00 0.00 C ATOM 564 CE LYS A 40 0.813 13.771 -4.222 1.00 0.00 C ATOM 565 NZ LYS A 40 0.231 12.671 -5.040 1.00 0.00 N ATOM 0 H LYS A 40 3.472 12.057 -2.010 1.00 0.00 H new ATOM 0 HA LYS A 40 3.581 11.005 -4.493 1.00 0.00 H new ATOM 0 HB2 LYS A 40 4.933 13.361 -3.190 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.322 12.982 -4.856 1.00 0.00 H new ATOM 0 HG2 LYS A 40 3.502 14.673 -4.621 1.00 0.00 H new ATOM 0 HG3 LYS A 40 3.026 13.264 -5.548 1.00 0.00 H new ATOM 0 HD2 LYS A 40 2.107 12.317 -3.313 1.00 0.00 H new ATOM 0 HD3 LYS A 40 2.299 13.939 -2.680 1.00 0.00 H new ATOM 0 HE2 LYS A 40 0.110 14.051 -3.437 1.00 0.00 H new ATOM 0 HE3 LYS A 40 0.959 14.651 -4.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -0.672 12.984 -5.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 0.890 12.421 -5.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 0.068 11.839 -4.437 1.00 0.00 H new ATOM 579 N LYS A 41 6.344 10.360 -2.930 1.00 0.00 N ATOM 580 CA LYS A 41 7.604 9.628 -2.998 1.00 0.00 C ATOM 581 C LYS A 41 7.364 8.124 -2.918 1.00 0.00 C ATOM 582 O LYS A 41 8.062 7.339 -3.562 1.00 0.00 O ATOM 583 CB LYS A 41 8.534 10.068 -1.866 1.00 0.00 C ATOM 584 CG LYS A 41 8.414 9.217 -0.614 1.00 0.00 C ATOM 585 CD LYS A 41 8.807 9.995 0.630 1.00 0.00 C ATOM 586 CE LYS A 41 10.314 9.993 0.837 1.00 0.00 C ATOM 587 NZ LYS A 41 10.976 11.111 0.110 1.00 0.00 N ATOM 0 H LYS A 41 6.072 10.643 -1.989 1.00 0.00 H new ATOM 0 HA LYS A 41 8.075 9.852 -3.955 1.00 0.00 H new ATOM 0 HB2 LYS A 41 9.564 10.035 -2.220 1.00 0.00 H new ATOM 0 HB3 LYS A 41 8.317 11.106 -1.612 1.00 0.00 H new ATOM 0 HG2 LYS A 41 7.389 8.861 -0.512 1.00 0.00 H new ATOM 0 HG3 LYS A 41 9.050 8.337 -0.709 1.00 0.00 H new ATOM 0 HD2 LYS A 41 8.452 11.022 0.545 1.00 0.00 H new ATOM 0 HD3 LYS A 41 8.319 9.560 1.502 1.00 0.00 H new ATOM 0 HE2 LYS A 41 10.534 10.072 1.902 1.00 0.00 H new ATOM 0 HE3 LYS A 41 10.726 9.043 0.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 11.926 11.267 0.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 11.054 10.871 -0.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 10.411 11.978 0.217 1.00 0.00 H new ATOM 601 N LEU A 42 6.374 7.729 -2.126 1.00 0.00 N ATOM 602 CA LEU A 42 6.042 6.317 -1.963 1.00 0.00 C ATOM 603 C LEU A 42 5.304 5.787 -3.188 1.00 0.00 C ATOM 604 O LEU A 42 5.535 4.660 -3.624 1.00 0.00 O ATOM 605 CB LEU A 42 5.187 6.116 -0.711 1.00 0.00 C ATOM 606 CG LEU A 42 4.755 4.679 -0.417 1.00 0.00 C ATOM 607 CD1 LEU A 42 5.970 3.794 -0.181 1.00 0.00 C ATOM 608 CD2 LEU A 42 3.822 4.637 0.784 1.00 0.00 C ATOM 0 H LEU A 42 5.787 8.365 -1.587 1.00 0.00 H new ATOM 0 HA LEU A 42 6.972 5.760 -1.853 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.743 6.490 0.148 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.292 6.731 -0.804 1.00 0.00 H new ATOM 0 HG LEU A 42 4.216 4.298 -1.284 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.643 2.775 0.027 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.601 3.799 -1.069 1.00 0.00 H new ATOM 0 HD13 LEU A 42 6.537 4.174 0.669 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.525 3.606 0.978 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.336 5.037 1.658 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.936 5.237 0.577 1.00 0.00 H new ATOM 620 N ALA A 43 4.416 6.608 -3.738 1.00 0.00 N ATOM 621 CA ALA A 43 3.647 6.224 -4.915 1.00 0.00 C ATOM 622 C ALA A 43 4.453 5.297 -5.819 1.00 0.00 C ATOM 623 O ALA A 43 4.067 4.159 -6.085 1.00 0.00 O ATOM 624 CB ALA A 43 3.204 7.460 -5.684 1.00 0.00 C ATOM 0 H ALA A 43 4.211 7.544 -3.387 1.00 0.00 H new ATOM 0 HA ALA A 43 2.762 5.683 -4.579 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.631 7.157 -6.560 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.583 8.085 -5.042 1.00 0.00 H new ATOM 0 HB3 ALA A 43 4.081 8.025 -6.001 1.00 0.00 H new ATOM 630 N PRO A 44 5.600 5.794 -6.305 1.00 0.00 N ATOM 631 CA PRO A 44 6.485 5.027 -7.187 1.00 0.00 C ATOM 632 C PRO A 44 7.176 3.879 -6.459 1.00 0.00 C ATOM 633 O PRO A 44 7.475 2.845 -7.055 1.00 0.00 O ATOM 634 CB PRO A 44 7.513 6.064 -7.648 1.00 0.00 C ATOM 635 CG PRO A 44 7.526 7.090 -6.568 1.00 0.00 C ATOM 636 CD PRO A 44 6.123 7.143 -6.030 1.00 0.00 C ATOM 0 HA PRO A 44 5.938 4.557 -8.004 1.00 0.00 H new ATOM 0 HB2 PRO A 44 8.497 5.615 -7.779 1.00 0.00 H new ATOM 0 HB3 PRO A 44 7.232 6.501 -8.606 1.00 0.00 H new ATOM 0 HG2 PRO A 44 8.235 6.822 -5.784 1.00 0.00 H new ATOM 0 HG3 PRO A 44 7.832 8.061 -6.956 1.00 0.00 H new ATOM 0 HD2 PRO A 44 6.110 7.369 -4.964 1.00 0.00 H new ATOM 0 HD3 PRO A 44 5.531 7.912 -6.526 1.00 0.00 H new ATOM 644 N GLU A 45 7.427 4.069 -5.167 1.00 0.00 N ATOM 645 CA GLU A 45 8.083 3.049 -4.359 1.00 0.00 C ATOM 646 C GLU A 45 7.139 1.882 -4.083 1.00 0.00 C ATOM 647 O GLU A 45 7.578 0.770 -3.787 1.00 0.00 O ATOM 648 CB GLU A 45 8.570 3.648 -3.038 1.00 0.00 C ATOM 649 CG GLU A 45 9.589 4.761 -3.213 1.00 0.00 C ATOM 650 CD GLU A 45 10.960 4.241 -3.600 1.00 0.00 C ATOM 651 OE1 GLU A 45 11.608 3.589 -2.755 1.00 0.00 O ATOM 652 OE2 GLU A 45 11.385 4.487 -4.749 1.00 0.00 O ATOM 0 H GLU A 45 7.186 4.920 -4.658 1.00 0.00 H new ATOM 0 HA GLU A 45 8.941 2.676 -4.919 1.00 0.00 H new ATOM 0 HB2 GLU A 45 7.713 4.035 -2.487 1.00 0.00 H new ATOM 0 HB3 GLU A 45 9.009 2.857 -2.430 1.00 0.00 H new ATOM 0 HG2 GLU A 45 9.238 5.453 -3.978 1.00 0.00 H new ATOM 0 HG3 GLU A 45 9.668 5.326 -2.284 1.00 0.00 H new ATOM 659 N TYR A 46 5.840 2.144 -4.183 1.00 0.00 N ATOM 660 CA TYR A 46 4.833 1.117 -3.942 1.00 0.00 C ATOM 661 C TYR A 46 4.455 0.410 -5.239 1.00 0.00 C ATOM 662 O TYR A 46 4.535 -0.814 -5.338 1.00 0.00 O ATOM 663 CB TYR A 46 3.588 1.735 -3.302 1.00 0.00 C ATOM 664 CG TYR A 46 2.667 0.719 -2.666 1.00 0.00 C ATOM 665 CD1 TYR A 46 2.998 0.108 -1.463 1.00 0.00 C ATOM 666 CD2 TYR A 46 1.464 0.371 -3.268 1.00 0.00 C ATOM 667 CE1 TYR A 46 2.160 -0.821 -0.879 1.00 0.00 C ATOM 668 CE2 TYR A 46 0.618 -0.557 -2.691 1.00 0.00 C ATOM 669 CZ TYR A 46 0.971 -1.150 -1.496 1.00 0.00 C ATOM 670 OH TYR A 46 0.132 -2.074 -0.917 1.00 0.00 O ATOM 0 H TYR A 46 5.460 3.058 -4.429 1.00 0.00 H new ATOM 0 HA TYR A 46 5.257 0.381 -3.259 1.00 0.00 H new ATOM 0 HB2 TYR A 46 3.898 2.456 -2.545 1.00 0.00 H new ATOM 0 HB3 TYR A 46 3.036 2.288 -4.062 1.00 0.00 H new ATOM 0 HD1 TYR A 46 3.927 0.364 -0.976 1.00 0.00 H new ATOM 0 HD2 TYR A 46 1.185 0.834 -4.203 1.00 0.00 H new ATOM 0 HE1 TYR A 46 2.434 -1.287 0.056 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -0.313 -0.816 -3.172 1.00 0.00 H new ATOM 0 HH TYR A 46 -0.799 -1.831 -1.101 1.00 0.00 H new ATOM 680 N GLU A 47 4.042 1.191 -6.233 1.00 0.00 N ATOM 681 CA GLU A 47 3.651 0.640 -7.525 1.00 0.00 C ATOM 682 C GLU A 47 4.790 -0.167 -8.140 1.00 0.00 C ATOM 683 O GLU A 47 4.561 -1.153 -8.840 1.00 0.00 O ATOM 684 CB GLU A 47 3.233 1.762 -8.478 1.00 0.00 C ATOM 685 CG GLU A 47 1.856 2.332 -8.181 1.00 0.00 C ATOM 686 CD GLU A 47 1.251 3.047 -9.374 1.00 0.00 C ATOM 687 OE1 GLU A 47 1.964 3.853 -10.007 1.00 0.00 O ATOM 688 OE2 GLU A 47 0.064 2.800 -9.673 1.00 0.00 O ATOM 0 H GLU A 47 3.970 2.206 -6.168 1.00 0.00 H new ATOM 0 HA GLU A 47 2.803 -0.026 -7.365 1.00 0.00 H new ATOM 0 HB2 GLU A 47 3.968 2.565 -8.425 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.247 1.383 -9.500 1.00 0.00 H new ATOM 0 HG2 GLU A 47 1.192 1.525 -7.871 1.00 0.00 H new ATOM 0 HG3 GLU A 47 1.927 3.026 -7.344 1.00 0.00 H new ATOM 695 N LYS A 48 6.020 0.261 -7.874 1.00 0.00 N ATOM 696 CA LYS A 48 7.198 -0.420 -8.400 1.00 0.00 C ATOM 697 C LYS A 48 7.370 -1.789 -7.749 1.00 0.00 C ATOM 698 O LYS A 48 7.586 -2.789 -8.433 1.00 0.00 O ATOM 699 CB LYS A 48 8.450 0.428 -8.167 1.00 0.00 C ATOM 700 CG LYS A 48 8.580 1.597 -9.128 1.00 0.00 C ATOM 701 CD LYS A 48 9.700 2.536 -8.716 1.00 0.00 C ATOM 702 CE LYS A 48 9.635 3.850 -9.480 1.00 0.00 C ATOM 703 NZ LYS A 48 10.450 4.912 -8.826 1.00 0.00 N ATOM 0 H LYS A 48 6.227 1.076 -7.297 1.00 0.00 H new ATOM 0 HA LYS A 48 7.057 -0.561 -9.472 1.00 0.00 H new ATOM 0 HB2 LYS A 48 8.436 0.808 -7.145 1.00 0.00 H new ATOM 0 HB3 LYS A 48 9.331 -0.207 -8.259 1.00 0.00 H new ATOM 0 HG2 LYS A 48 8.770 1.223 -10.134 1.00 0.00 H new ATOM 0 HG3 LYS A 48 7.639 2.146 -9.164 1.00 0.00 H new ATOM 0 HD2 LYS A 48 9.636 2.733 -7.646 1.00 0.00 H new ATOM 0 HD3 LYS A 48 10.662 2.057 -8.895 1.00 0.00 H new ATOM 0 HE2 LYS A 48 9.990 3.696 -10.499 1.00 0.00 H new ATOM 0 HE3 LYS A 48 8.598 4.179 -9.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 10.164 5.843 -9.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 10.299 4.881 -7.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 11.457 4.754 -9.033 1.00 0.00 H new ATOM 717 N ALA A 49 7.273 -1.826 -6.424 1.00 0.00 N ATOM 718 CA ALA A 49 7.415 -3.072 -5.682 1.00 0.00 C ATOM 719 C ALA A 49 6.442 -4.130 -6.193 1.00 0.00 C ATOM 720 O ALA A 49 6.710 -5.327 -6.105 1.00 0.00 O ATOM 721 CB ALA A 49 7.199 -2.829 -4.195 1.00 0.00 C ATOM 0 H ALA A 49 7.097 -1.007 -5.843 1.00 0.00 H new ATOM 0 HA ALA A 49 8.428 -3.443 -5.835 1.00 0.00 H new ATOM 0 HB1 ALA A 49 7.308 -3.768 -3.653 1.00 0.00 H new ATOM 0 HB2 ALA A 49 7.937 -2.113 -3.832 1.00 0.00 H new ATOM 0 HB3 ALA A 49 6.197 -2.431 -4.033 1.00 0.00 H new ATOM 727 N ALA A 50 5.312 -3.678 -6.728 1.00 0.00 N ATOM 728 CA ALA A 50 4.301 -4.586 -7.254 1.00 0.00 C ATOM 729 C ALA A 50 4.784 -5.265 -8.531 1.00 0.00 C ATOM 730 O ALA A 50 4.450 -6.420 -8.798 1.00 0.00 O ATOM 731 CB ALA A 50 3.002 -3.837 -7.512 1.00 0.00 C ATOM 0 H ALA A 50 5.074 -2.689 -6.808 1.00 0.00 H new ATOM 0 HA ALA A 50 4.120 -5.360 -6.508 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.256 -4.528 -7.905 1.00 0.00 H new ATOM 0 HB2 ALA A 50 2.640 -3.404 -6.579 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.178 -3.042 -8.237 1.00 0.00 H new ATOM 737 N LYS A 51 5.572 -4.541 -9.319 1.00 0.00 N ATOM 738 CA LYS A 51 6.103 -5.073 -10.569 1.00 0.00 C ATOM 739 C LYS A 51 7.157 -6.142 -10.301 1.00 0.00 C ATOM 740 O LYS A 51 7.285 -7.103 -11.058 1.00 0.00 O ATOM 741 CB LYS A 51 6.706 -3.947 -11.411 1.00 0.00 C ATOM 742 CG LYS A 51 5.700 -2.883 -11.814 1.00 0.00 C ATOM 743 CD LYS A 51 6.219 -2.030 -12.960 1.00 0.00 C ATOM 744 CE LYS A 51 6.999 -0.827 -12.450 1.00 0.00 C ATOM 745 NZ LYS A 51 7.154 0.218 -13.499 1.00 0.00 N ATOM 0 H LYS A 51 5.857 -3.583 -9.114 1.00 0.00 H new ATOM 0 HA LYS A 51 5.280 -5.529 -11.119 1.00 0.00 H new ATOM 0 HB2 LYS A 51 7.514 -3.477 -10.849 1.00 0.00 H new ATOM 0 HB3 LYS A 51 7.150 -4.375 -12.310 1.00 0.00 H new ATOM 0 HG2 LYS A 51 4.764 -3.358 -12.108 1.00 0.00 H new ATOM 0 HG3 LYS A 51 5.479 -2.247 -10.957 1.00 0.00 H new ATOM 0 HD2 LYS A 51 6.859 -2.634 -13.604 1.00 0.00 H new ATOM 0 HD3 LYS A 51 5.382 -1.690 -13.570 1.00 0.00 H new ATOM 0 HE2 LYS A 51 6.487 -0.402 -11.587 1.00 0.00 H new ATOM 0 HE3 LYS A 51 7.983 -1.150 -12.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 7.691 1.021 -13.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 7.665 -0.180 -14.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 6.215 0.544 -13.805 1.00 0.00 H new ATOM 759 N GLU A 52 7.908 -5.969 -9.218 1.00 0.00 N ATOM 760 CA GLU A 52 8.950 -6.920 -8.851 1.00 0.00 C ATOM 761 C GLU A 52 8.353 -8.138 -8.151 1.00 0.00 C ATOM 762 O GLU A 52 8.788 -9.270 -8.371 1.00 0.00 O ATOM 763 CB GLU A 52 9.985 -6.253 -7.942 1.00 0.00 C ATOM 764 CG GLU A 52 10.625 -5.018 -8.553 1.00 0.00 C ATOM 765 CD GLU A 52 11.695 -5.359 -9.572 1.00 0.00 C ATOM 766 OE1 GLU A 52 12.338 -6.419 -9.425 1.00 0.00 O ATOM 767 OE2 GLU A 52 11.889 -4.565 -10.516 1.00 0.00 O ATOM 0 H GLU A 52 7.814 -5.179 -8.580 1.00 0.00 H new ATOM 0 HA GLU A 52 9.441 -7.252 -9.766 1.00 0.00 H new ATOM 0 HB2 GLU A 52 9.507 -5.977 -7.002 1.00 0.00 H new ATOM 0 HB3 GLU A 52 10.765 -6.976 -7.702 1.00 0.00 H new ATOM 0 HG2 GLU A 52 9.854 -4.412 -9.030 1.00 0.00 H new ATOM 0 HG3 GLU A 52 11.063 -4.411 -7.761 1.00 0.00 H new ATOM 774 N LEU A 53 7.355 -7.898 -7.308 1.00 0.00 N ATOM 775 CA LEU A 53 6.698 -8.975 -6.575 1.00 0.00 C ATOM 776 C LEU A 53 5.788 -9.783 -7.495 1.00 0.00 C ATOM 777 O LEU A 53 5.735 -11.010 -7.409 1.00 0.00 O ATOM 778 CB LEU A 53 5.887 -8.404 -5.410 1.00 0.00 C ATOM 779 CG LEU A 53 6.679 -8.053 -4.150 1.00 0.00 C ATOM 780 CD1 LEU A 53 5.832 -7.217 -3.203 1.00 0.00 C ATOM 781 CD2 LEU A 53 7.166 -9.317 -3.457 1.00 0.00 C ATOM 0 H LEU A 53 6.983 -6.968 -7.115 1.00 0.00 H new ATOM 0 HA LEU A 53 7.469 -9.638 -6.183 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.375 -7.506 -5.755 1.00 0.00 H new ATOM 0 HB3 LEU A 53 5.116 -9.126 -5.141 1.00 0.00 H new ATOM 0 HG LEU A 53 7.549 -7.465 -4.443 1.00 0.00 H new ATOM 0 HD11 LEU A 53 6.412 -6.977 -2.312 1.00 0.00 H new ATOM 0 HD12 LEU A 53 5.533 -6.295 -3.701 1.00 0.00 H new ATOM 0 HD13 LEU A 53 4.943 -7.780 -2.917 1.00 0.00 H new ATOM 0 HD21 LEU A 53 7.728 -9.048 -2.562 1.00 0.00 H new ATOM 0 HD22 LEU A 53 6.310 -9.931 -3.177 1.00 0.00 H new ATOM 0 HD23 LEU A 53 7.810 -9.878 -4.134 1.00 0.00 H new ATOM 793 N SER A 54 5.075 -9.087 -8.375 1.00 0.00 N ATOM 794 CA SER A 54 4.167 -9.740 -9.309 1.00 0.00 C ATOM 795 C SER A 54 4.913 -10.750 -10.177 1.00 0.00 C ATOM 796 O SER A 54 4.331 -11.721 -10.661 1.00 0.00 O ATOM 797 CB SER A 54 3.478 -8.700 -10.195 1.00 0.00 C ATOM 798 OG SER A 54 4.406 -8.076 -11.065 1.00 0.00 O ATOM 0 H SER A 54 5.109 -8.071 -8.460 1.00 0.00 H new ATOM 0 HA SER A 54 3.412 -10.272 -8.731 1.00 0.00 H new ATOM 0 HB2 SER A 54 2.692 -9.179 -10.779 1.00 0.00 H new ATOM 0 HB3 SER A 54 2.997 -7.947 -9.571 1.00 0.00 H new ATOM 0 HG SER A 54 5.281 -8.024 -10.627 1.00 0.00 H new ATOM 804 N LYS A 55 6.206 -10.513 -10.370 1.00 0.00 N ATOM 805 CA LYS A 55 7.034 -11.399 -11.178 1.00 0.00 C ATOM 806 C LYS A 55 7.769 -12.408 -10.300 1.00 0.00 C ATOM 807 O LYS A 55 8.253 -13.430 -10.785 1.00 0.00 O ATOM 808 CB LYS A 55 8.043 -10.587 -11.993 1.00 0.00 C ATOM 809 CG LYS A 55 9.181 -10.020 -11.161 1.00 0.00 C ATOM 810 CD LYS A 55 10.358 -9.613 -12.031 1.00 0.00 C ATOM 811 CE LYS A 55 11.497 -9.044 -11.198 1.00 0.00 C ATOM 812 NZ LYS A 55 12.710 -8.785 -12.021 1.00 0.00 N ATOM 0 H LYS A 55 6.703 -9.714 -9.977 1.00 0.00 H new ATOM 0 HA LYS A 55 6.381 -11.944 -11.859 1.00 0.00 H new ATOM 0 HB2 LYS A 55 8.458 -11.220 -12.777 1.00 0.00 H new ATOM 0 HB3 LYS A 55 7.522 -9.767 -12.488 1.00 0.00 H new ATOM 0 HG2 LYS A 55 8.827 -9.156 -10.599 1.00 0.00 H new ATOM 0 HG3 LYS A 55 9.506 -10.763 -10.432 1.00 0.00 H new ATOM 0 HD2 LYS A 55 10.713 -10.477 -12.592 1.00 0.00 H new ATOM 0 HD3 LYS A 55 10.033 -8.871 -12.760 1.00 0.00 H new ATOM 0 HE2 LYS A 55 11.173 -8.116 -10.726 1.00 0.00 H new ATOM 0 HE3 LYS A 55 11.744 -9.740 -10.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 13.463 -8.398 -11.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 13.034 -9.675 -12.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 12.481 -8.101 -12.770 1.00 0.00 H new ATOM 826 N ARG A 56 7.846 -12.113 -9.006 1.00 0.00 N ATOM 827 CA ARG A 56 8.520 -12.995 -8.061 1.00 0.00 C ATOM 828 C ARG A 56 7.685 -14.242 -7.788 1.00 0.00 C ATOM 829 O ARG A 56 6.618 -14.426 -8.374 1.00 0.00 O ATOM 830 CB ARG A 56 8.796 -12.256 -6.750 1.00 0.00 C ATOM 831 CG ARG A 56 10.137 -11.540 -6.725 1.00 0.00 C ATOM 832 CD ARG A 56 10.249 -10.609 -5.527 1.00 0.00 C ATOM 833 NE ARG A 56 11.639 -10.360 -5.156 1.00 0.00 N ATOM 834 CZ ARG A 56 12.438 -9.530 -5.817 1.00 0.00 C ATOM 835 NH1 ARG A 56 11.987 -8.873 -6.877 1.00 0.00 N ATOM 836 NH2 ARG A 56 13.692 -9.356 -5.418 1.00 0.00 N ATOM 0 H ARG A 56 7.450 -11.271 -8.589 1.00 0.00 H new ATOM 0 HA ARG A 56 9.467 -13.304 -8.504 1.00 0.00 H new ATOM 0 HB2 ARG A 56 8.002 -11.529 -6.579 1.00 0.00 H new ATOM 0 HB3 ARG A 56 8.759 -12.969 -5.926 1.00 0.00 H new ATOM 0 HG2 ARG A 56 10.942 -12.274 -6.693 1.00 0.00 H new ATOM 0 HG3 ARG A 56 10.263 -10.968 -7.645 1.00 0.00 H new ATOM 0 HD2 ARG A 56 9.760 -9.662 -5.757 1.00 0.00 H new ATOM 0 HD3 ARG A 56 9.720 -11.044 -4.679 1.00 0.00 H new ATOM 0 HE ARG A 56 12.017 -10.850 -4.345 1.00 0.00 H new ATOM 0 HH11 ARG A 56 11.024 -9.004 -7.187 1.00 0.00 H new ATOM 0 HH12 ARG A 56 12.603 -8.236 -7.382 1.00 0.00 H new ATOM 0 HH21 ARG A 56 14.043 -9.860 -4.603 1.00 0.00 H new ATOM 0 HH22 ARG A 56 14.305 -8.718 -5.926 1.00 0.00 H new ATOM 850 N SER A 57 8.177 -15.095 -6.896 1.00 0.00 N ATOM 851 CA SER A 57 7.478 -16.327 -6.549 1.00 0.00 C ATOM 852 C SER A 57 7.802 -16.751 -5.119 1.00 0.00 C ATOM 853 O SER A 57 8.959 -16.961 -4.754 1.00 0.00 O ATOM 854 CB SER A 57 7.857 -17.444 -7.522 1.00 0.00 C ATOM 855 OG SER A 57 6.981 -18.551 -7.393 1.00 0.00 O ATOM 0 H SER A 57 9.057 -14.956 -6.400 1.00 0.00 H new ATOM 0 HA SER A 57 6.406 -16.140 -6.620 1.00 0.00 H new ATOM 0 HB2 SER A 57 7.824 -17.067 -8.544 1.00 0.00 H new ATOM 0 HB3 SER A 57 8.882 -17.763 -7.333 1.00 0.00 H new ATOM 0 HG SER A 57 7.243 -19.251 -8.027 1.00 0.00 H new ATOM 861 N PRO A 58 6.755 -16.880 -4.290 1.00 0.00 N ATOM 862 CA PRO A 58 5.374 -16.632 -4.714 1.00 0.00 C ATOM 863 C PRO A 58 5.106 -15.154 -4.981 1.00 0.00 C ATOM 864 O PRO A 58 5.630 -14.271 -4.302 1.00 0.00 O ATOM 865 CB PRO A 58 4.545 -17.119 -3.524 1.00 0.00 C ATOM 866 CG PRO A 58 5.457 -17.001 -2.352 1.00 0.00 C ATOM 867 CD PRO A 58 6.840 -17.277 -2.875 1.00 0.00 C ATOM 0 HA PRO A 58 5.138 -17.137 -5.651 1.00 0.00 H new ATOM 0 HB2 PRO A 58 3.649 -16.512 -3.391 1.00 0.00 H new ATOM 0 HB3 PRO A 58 4.215 -18.148 -3.666 1.00 0.00 H new ATOM 0 HG2 PRO A 58 5.398 -16.006 -1.910 1.00 0.00 H new ATOM 0 HG3 PRO A 58 5.185 -17.713 -1.573 1.00 0.00 H new ATOM 0 HD2 PRO A 58 7.594 -16.700 -2.340 1.00 0.00 H new ATOM 0 HD3 PRO A 58 7.108 -18.328 -2.768 1.00 0.00 H new ATOM 875 N PRO A 59 4.270 -14.877 -5.992 1.00 0.00 N ATOM 876 CA PRO A 59 3.912 -13.507 -6.371 1.00 0.00 C ATOM 877 C PRO A 59 3.032 -12.828 -5.327 1.00 0.00 C ATOM 878 O PRO A 59 1.923 -13.284 -5.046 1.00 0.00 O ATOM 879 CB PRO A 59 3.143 -13.690 -7.681 1.00 0.00 C ATOM 880 CG PRO A 59 2.596 -15.074 -7.609 1.00 0.00 C ATOM 881 CD PRO A 59 3.608 -15.880 -6.844 1.00 0.00 C ATOM 0 HA PRO A 59 4.790 -12.867 -6.462 1.00 0.00 H new ATOM 0 HB2 PRO A 59 2.345 -12.954 -7.778 1.00 0.00 H new ATOM 0 HB3 PRO A 59 3.797 -13.567 -8.544 1.00 0.00 H new ATOM 0 HG2 PRO A 59 1.628 -15.085 -7.108 1.00 0.00 H new ATOM 0 HG3 PRO A 59 2.443 -15.485 -8.607 1.00 0.00 H new ATOM 0 HD2 PRO A 59 3.134 -16.661 -6.250 1.00 0.00 H new ATOM 0 HD3 PRO A 59 4.317 -16.372 -7.510 1.00 0.00 H new ATOM 889 N ILE A 60 3.532 -11.738 -4.756 1.00 0.00 N ATOM 890 CA ILE A 60 2.790 -10.996 -3.744 1.00 0.00 C ATOM 891 C ILE A 60 2.235 -9.695 -4.314 1.00 0.00 C ATOM 892 O ILE A 60 2.940 -8.693 -4.441 1.00 0.00 O ATOM 893 CB ILE A 60 3.670 -10.675 -2.522 1.00 0.00 C ATOM 894 CG1 ILE A 60 4.158 -11.967 -1.864 1.00 0.00 C ATOM 895 CG2 ILE A 60 2.900 -9.823 -1.524 1.00 0.00 C ATOM 896 CD1 ILE A 60 5.382 -11.777 -0.995 1.00 0.00 C ATOM 0 H ILE A 60 4.448 -11.349 -4.977 1.00 0.00 H new ATOM 0 HA ILE A 60 1.964 -11.633 -3.428 1.00 0.00 H new ATOM 0 HB ILE A 60 4.540 -10.110 -2.857 1.00 0.00 H new ATOM 0 HG12 ILE A 60 3.353 -12.383 -1.258 1.00 0.00 H new ATOM 0 HG13 ILE A 60 4.383 -12.698 -2.640 1.00 0.00 H new ATOM 0 HG21 ILE A 60 3.535 -9.604 -0.666 1.00 0.00 H new ATOM 0 HG22 ILE A 60 2.598 -8.890 -1.999 1.00 0.00 H new ATOM 0 HG23 ILE A 60 2.014 -10.364 -1.191 1.00 0.00 H new ATOM 0 HD11 ILE A 60 5.672 -12.734 -0.561 1.00 0.00 H new ATOM 0 HD12 ILE A 60 6.202 -11.390 -1.600 1.00 0.00 H new ATOM 0 HD13 ILE A 60 5.155 -11.070 -0.197 1.00 0.00 H new ATOM 908 N PRO A 61 0.940 -9.707 -4.664 1.00 0.00 N ATOM 909 CA PRO A 61 0.261 -8.534 -5.223 1.00 0.00 C ATOM 910 C PRO A 61 0.073 -7.427 -4.193 1.00 0.00 C ATOM 911 O PRO A 61 -0.175 -7.695 -3.016 1.00 0.00 O ATOM 912 CB PRO A 61 -1.096 -9.088 -5.666 1.00 0.00 C ATOM 913 CG PRO A 61 -1.321 -10.279 -4.799 1.00 0.00 C ATOM 914 CD PRO A 61 0.040 -10.865 -4.540 1.00 0.00 C ATOM 0 HA PRO A 61 0.835 -8.077 -6.029 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -1.887 -8.349 -5.536 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -1.086 -9.362 -6.721 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -1.808 -9.996 -3.866 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -1.971 -11.003 -5.291 1.00 0.00 H new ATOM 0 HD2 PRO A 61 0.101 -11.317 -3.550 1.00 0.00 H new ATOM 0 HD3 PRO A 61 0.286 -11.644 -5.262 1.00 0.00 H new ATOM 922 N LEU A 62 0.191 -6.182 -4.641 1.00 0.00 N ATOM 923 CA LEU A 62 0.034 -5.032 -3.757 1.00 0.00 C ATOM 924 C LEU A 62 -1.213 -4.232 -4.120 1.00 0.00 C ATOM 925 O LEU A 62 -1.589 -4.146 -5.289 1.00 0.00 O ATOM 926 CB LEU A 62 1.269 -4.133 -3.831 1.00 0.00 C ATOM 927 CG LEU A 62 2.379 -4.434 -2.823 1.00 0.00 C ATOM 928 CD1 LEU A 62 2.946 -5.827 -3.052 1.00 0.00 C ATOM 929 CD2 LEU A 62 3.480 -3.387 -2.914 1.00 0.00 C ATOM 0 H LEU A 62 0.395 -5.943 -5.611 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.078 -5.402 -2.738 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.687 -4.206 -4.835 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.951 -3.100 -3.693 1.00 0.00 H new ATOM 0 HG LEU A 62 1.952 -4.398 -1.821 1.00 0.00 H new ATOM 0 HD11 LEU A 62 3.734 -6.023 -2.325 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.153 -6.566 -2.936 1.00 0.00 H new ATOM 0 HD13 LEU A 62 3.357 -5.891 -4.059 1.00 0.00 H new ATOM 0 HD21 LEU A 62 4.261 -3.617 -2.190 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.904 -3.391 -3.918 1.00 0.00 H new ATOM 0 HD23 LEU A 62 3.064 -2.402 -2.699 1.00 0.00 H new ATOM 941 N ALA A 63 -1.850 -3.647 -3.111 1.00 0.00 N ATOM 942 CA ALA A 63 -3.051 -2.850 -3.325 1.00 0.00 C ATOM 943 C ALA A 63 -2.920 -1.474 -2.681 1.00 0.00 C ATOM 944 O ALA A 63 -2.404 -1.344 -1.571 1.00 0.00 O ATOM 945 CB ALA A 63 -4.271 -3.577 -2.777 1.00 0.00 C ATOM 0 H ALA A 63 -1.554 -3.710 -2.137 1.00 0.00 H new ATOM 0 HA ALA A 63 -3.177 -2.709 -4.399 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -5.161 -2.970 -2.943 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -4.384 -4.534 -3.286 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -4.143 -3.748 -1.708 1.00 0.00 H new ATOM 951 N LYS A 64 -3.389 -0.450 -3.384 1.00 0.00 N ATOM 952 CA LYS A 64 -3.326 0.918 -2.882 1.00 0.00 C ATOM 953 C LYS A 64 -4.715 1.427 -2.513 1.00 0.00 C ATOM 954 O LYS A 64 -5.642 1.371 -3.320 1.00 0.00 O ATOM 955 CB LYS A 64 -2.694 1.839 -3.928 1.00 0.00 C ATOM 956 CG LYS A 64 -3.373 1.772 -5.285 1.00 0.00 C ATOM 957 CD LYS A 64 -3.246 3.087 -6.037 1.00 0.00 C ATOM 958 CE LYS A 64 -3.830 2.987 -7.438 1.00 0.00 C ATOM 959 NZ LYS A 64 -5.318 2.920 -7.414 1.00 0.00 N ATOM 0 H LYS A 64 -3.818 -0.541 -4.305 1.00 0.00 H new ATOM 0 HA LYS A 64 -2.708 0.921 -1.984 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -2.728 2.866 -3.564 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -1.642 1.576 -4.044 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -2.930 0.970 -5.875 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -4.427 1.527 -5.154 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -3.758 3.875 -5.484 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -2.196 3.372 -6.099 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -3.514 3.849 -8.026 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -3.434 2.101 -7.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -5.655 2.385 -8.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -5.630 2.445 -6.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -5.709 3.883 -7.443 1.00 0.00 H new ATOM 973 N VAL A 65 -4.852 1.926 -1.288 1.00 0.00 N ATOM 974 CA VAL A 65 -6.127 2.448 -0.813 1.00 0.00 C ATOM 975 C VAL A 65 -6.013 3.921 -0.439 1.00 0.00 C ATOM 976 O VAL A 65 -5.049 4.336 0.204 1.00 0.00 O ATOM 977 CB VAL A 65 -6.638 1.658 0.407 1.00 0.00 C ATOM 978 CG1 VAL A 65 -7.968 2.219 0.888 1.00 0.00 C ATOM 979 CG2 VAL A 65 -6.764 0.180 0.069 1.00 0.00 C ATOM 0 H VAL A 65 -4.095 1.979 -0.607 1.00 0.00 H new ATOM 0 HA VAL A 65 -6.838 2.338 -1.632 1.00 0.00 H new ATOM 0 HB VAL A 65 -5.914 1.762 1.215 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -8.313 1.648 1.750 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -7.841 3.264 1.172 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -8.704 2.147 0.087 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -7.126 -0.363 0.942 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -7.467 0.054 -0.754 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -5.789 -0.211 -0.223 1.00 0.00 H new ATOM 989 N ASP A 66 -7.004 4.707 -0.845 1.00 0.00 N ATOM 990 CA ASP A 66 -7.016 6.136 -0.552 1.00 0.00 C ATOM 991 C ASP A 66 -7.743 6.415 0.760 1.00 0.00 C ATOM 992 O ASP A 66 -8.969 6.525 0.790 1.00 0.00 O ATOM 993 CB ASP A 66 -7.682 6.907 -1.693 1.00 0.00 C ATOM 994 CG ASP A 66 -7.125 6.527 -3.051 1.00 0.00 C ATOM 995 OD1 ASP A 66 -5.980 6.031 -3.105 1.00 0.00 O ATOM 996 OD2 ASP A 66 -7.835 6.724 -4.059 1.00 0.00 O ATOM 0 H ASP A 66 -7.810 4.379 -1.378 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.983 6.470 -0.453 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -8.755 6.717 -1.678 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -7.545 7.977 -1.534 1.00 0.00 H new ATOM 1001 N ALA A 67 -6.980 6.527 1.842 1.00 0.00 N ATOM 1002 CA ALA A 67 -7.551 6.794 3.156 1.00 0.00 C ATOM 1003 C ALA A 67 -8.419 8.047 3.133 1.00 0.00 C ATOM 1004 O ALA A 67 -9.183 8.304 4.064 1.00 0.00 O ATOM 1005 CB ALA A 67 -6.447 6.932 4.193 1.00 0.00 C ATOM 0 H ALA A 67 -5.964 6.437 1.834 1.00 0.00 H new ATOM 0 HA ALA A 67 -8.185 5.950 3.428 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -6.888 7.131 5.170 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -5.871 6.008 4.237 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -5.789 7.756 3.917 1.00 0.00 H new ATOM 1011 N THR A 68 -8.296 8.827 2.063 1.00 0.00 N ATOM 1012 CA THR A 68 -9.067 10.055 1.920 1.00 0.00 C ATOM 1013 C THR A 68 -10.509 9.756 1.526 1.00 0.00 C ATOM 1014 O THR A 68 -11.440 10.398 2.010 1.00 0.00 O ATOM 1015 CB THR A 68 -8.443 10.991 0.867 1.00 0.00 C ATOM 1016 OG1 THR A 68 -8.526 10.393 -0.431 1.00 0.00 O ATOM 1017 CG2 THR A 68 -6.990 11.289 1.202 1.00 0.00 C ATOM 0 H THR A 68 -7.669 8.629 1.283 1.00 0.00 H new ATOM 0 HA THR A 68 -9.053 10.551 2.890 1.00 0.00 H new ATOM 0 HB THR A 68 -9.000 11.928 0.870 1.00 0.00 H new ATOM 0 HG1 THR A 68 -8.129 10.995 -1.095 1.00 0.00 H new ATOM 0 HG21 THR A 68 -6.571 11.951 0.445 1.00 0.00 H new ATOM 0 HG22 THR A 68 -6.933 11.771 2.178 1.00 0.00 H new ATOM 0 HG23 THR A 68 -6.423 10.358 1.224 1.00 0.00 H new ATOM 1025 N GLU A 69 -10.686 8.776 0.645 1.00 0.00 N ATOM 1026 CA GLU A 69 -12.016 8.393 0.186 1.00 0.00 C ATOM 1027 C GLU A 69 -12.507 7.148 0.920 1.00 0.00 C ATOM 1028 O GLU A 69 -13.707 6.883 0.979 1.00 0.00 O ATOM 1029 CB GLU A 69 -12.006 8.138 -1.323 1.00 0.00 C ATOM 1030 CG GLU A 69 -13.394 8.014 -1.928 1.00 0.00 C ATOM 1031 CD GLU A 69 -14.257 9.234 -1.666 1.00 0.00 C ATOM 1032 OE1 GLU A 69 -13.719 10.360 -1.700 1.00 0.00 O ATOM 1033 OE2 GLU A 69 -15.470 9.061 -1.426 1.00 0.00 O ATOM 0 H GLU A 69 -9.926 8.233 0.235 1.00 0.00 H new ATOM 0 HA GLU A 69 -12.698 9.215 0.403 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -11.475 8.952 -1.817 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -11.448 7.224 -1.525 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -13.305 7.861 -3.004 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -13.886 7.131 -1.520 1.00 0.00 H new ATOM 1040 N GLN A 70 -11.569 6.388 1.476 1.00 0.00 N ATOM 1041 CA GLN A 70 -11.905 5.170 2.204 1.00 0.00 C ATOM 1042 C GLN A 70 -11.682 5.353 3.702 1.00 0.00 C ATOM 1043 O GLN A 70 -11.233 4.436 4.390 1.00 0.00 O ATOM 1044 CB GLN A 70 -11.069 3.997 1.691 1.00 0.00 C ATOM 1045 CG GLN A 70 -11.163 3.794 0.187 1.00 0.00 C ATOM 1046 CD GLN A 70 -12.591 3.610 -0.288 1.00 0.00 C ATOM 1047 OE1 GLN A 70 -13.483 3.290 0.497 1.00 0.00 O ATOM 1048 NE2 GLN A 70 -12.815 3.813 -1.582 1.00 0.00 N ATOM 0 H GLN A 70 -10.571 6.594 1.436 1.00 0.00 H new ATOM 0 HA GLN A 70 -12.960 4.955 2.036 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -10.026 4.159 1.963 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -11.391 3.085 2.193 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -10.723 4.653 -0.320 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -10.575 2.921 -0.096 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -12.046 4.077 -2.197 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -13.756 3.705 -1.960 1.00 0.00 H new ATOM 1057 N THR A 71 -11.998 6.543 4.202 1.00 0.00 N ATOM 1058 CA THR A 71 -11.831 6.847 5.617 1.00 0.00 C ATOM 1059 C THR A 71 -12.394 5.730 6.489 1.00 0.00 C ATOM 1060 O THR A 71 -11.770 5.319 7.467 1.00 0.00 O ATOM 1061 CB THR A 71 -12.520 8.172 5.993 1.00 0.00 C ATOM 1062 OG1 THR A 71 -13.936 8.057 5.815 1.00 0.00 O ATOM 1063 CG2 THR A 71 -11.989 9.317 5.144 1.00 0.00 C ATOM 0 H THR A 71 -12.372 7.313 3.647 1.00 0.00 H new ATOM 0 HA THR A 71 -10.760 6.940 5.796 1.00 0.00 H new ATOM 0 HB THR A 71 -12.303 8.384 7.040 1.00 0.00 H new ATOM 0 HG1 THR A 71 -14.366 8.903 6.058 1.00 0.00 H new ATOM 0 HG21 THR A 71 -12.490 10.243 5.427 1.00 0.00 H new ATOM 0 HG22 THR A 71 -10.916 9.422 5.304 1.00 0.00 H new ATOM 0 HG23 THR A 71 -12.180 9.108 4.091 1.00 0.00 H new ATOM 1071 N ASP A 72 -13.576 5.243 6.128 1.00 0.00 N ATOM 1072 CA ASP A 72 -14.223 4.172 6.877 1.00 0.00 C ATOM 1073 C ASP A 72 -13.248 3.029 7.142 1.00 0.00 C ATOM 1074 O ASP A 72 -13.192 2.489 8.248 1.00 0.00 O ATOM 1075 CB ASP A 72 -15.443 3.652 6.115 1.00 0.00 C ATOM 1076 CG ASP A 72 -16.600 4.631 6.138 1.00 0.00 C ATOM 1077 OD1 ASP A 72 -16.355 5.844 5.964 1.00 0.00 O ATOM 1078 OD2 ASP A 72 -17.750 4.185 6.330 1.00 0.00 O ATOM 0 H ASP A 72 -14.106 5.573 5.321 1.00 0.00 H new ATOM 0 HA ASP A 72 -14.549 4.577 7.835 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -15.163 3.449 5.081 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -15.763 2.705 6.550 1.00 0.00 H new ATOM 1083 N LEU A 73 -12.481 2.663 6.120 1.00 0.00 N ATOM 1084 CA LEU A 73 -11.509 1.583 6.241 1.00 0.00 C ATOM 1085 C LEU A 73 -10.285 2.038 7.029 1.00 0.00 C ATOM 1086 O LEU A 73 -9.750 1.293 7.850 1.00 0.00 O ATOM 1087 CB LEU A 73 -11.084 1.095 4.855 1.00 0.00 C ATOM 1088 CG LEU A 73 -12.197 0.524 3.975 1.00 0.00 C ATOM 1089 CD1 LEU A 73 -11.710 0.354 2.544 1.00 0.00 C ATOM 1090 CD2 LEU A 73 -12.692 -0.802 4.533 1.00 0.00 C ATOM 0 H LEU A 73 -12.514 3.099 5.198 1.00 0.00 H new ATOM 0 HA LEU A 73 -11.981 0.762 6.780 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -10.620 1.927 4.325 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -10.318 0.330 4.980 1.00 0.00 H new ATOM 0 HG LEU A 73 -13.030 1.227 3.973 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -12.515 -0.053 1.932 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -11.405 1.322 2.146 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -10.860 -0.329 2.527 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -13.484 -1.193 3.894 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -11.867 -1.514 4.566 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -13.080 -0.651 5.540 1.00 0.00 H new ATOM 1102 N ALA A 74 -9.847 3.267 6.775 1.00 0.00 N ATOM 1103 CA ALA A 74 -8.689 3.823 7.464 1.00 0.00 C ATOM 1104 C ALA A 74 -8.874 3.773 8.977 1.00 0.00 C ATOM 1105 O ALA A 74 -8.055 3.199 9.694 1.00 0.00 O ATOM 1106 CB ALA A 74 -8.440 5.253 7.007 1.00 0.00 C ATOM 0 H ALA A 74 -10.277 3.896 6.097 1.00 0.00 H new ATOM 0 HA ALA A 74 -7.820 3.216 7.211 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -7.572 5.656 7.529 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -8.255 5.265 5.933 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -9.314 5.864 7.231 1.00 0.00 H new ATOM 1112 N LYS A 75 -9.954 4.380 9.456 1.00 0.00 N ATOM 1113 CA LYS A 75 -10.248 4.404 10.884 1.00 0.00 C ATOM 1114 C LYS A 75 -10.176 3.002 11.479 1.00 0.00 C ATOM 1115 O LYS A 75 -9.675 2.812 12.588 1.00 0.00 O ATOM 1116 CB LYS A 75 -11.635 5.003 11.131 1.00 0.00 C ATOM 1117 CG LYS A 75 -11.749 6.461 10.719 1.00 0.00 C ATOM 1118 CD LYS A 75 -12.865 7.166 11.471 1.00 0.00 C ATOM 1119 CE LYS A 75 -14.189 7.063 10.729 1.00 0.00 C ATOM 1120 NZ LYS A 75 -15.247 7.897 11.363 1.00 0.00 N ATOM 0 H LYS A 75 -10.641 4.862 8.876 1.00 0.00 H new ATOM 0 HA LYS A 75 -9.498 5.026 11.372 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -12.376 4.420 10.584 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -11.877 4.913 12.190 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -10.803 6.969 10.909 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -11.935 6.524 9.647 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -12.968 6.729 12.464 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -12.605 8.215 11.610 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -14.051 7.377 9.694 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -14.512 6.022 10.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -16.133 7.799 10.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -15.397 7.581 12.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -14.950 8.894 11.362 1.00 0.00 H new ATOM 1134 N ARG A 76 -10.677 2.022 10.735 1.00 0.00 N ATOM 1135 CA ARG A 76 -10.669 0.636 11.189 1.00 0.00 C ATOM 1136 C ARG A 76 -9.244 0.164 11.467 1.00 0.00 C ATOM 1137 O ARG A 76 -9.016 -0.672 12.342 1.00 0.00 O ATOM 1138 CB ARG A 76 -11.323 -0.270 10.144 1.00 0.00 C ATOM 1139 CG ARG A 76 -11.352 -1.736 10.541 1.00 0.00 C ATOM 1140 CD ARG A 76 -11.565 -2.637 9.335 1.00 0.00 C ATOM 1141 NE ARG A 76 -11.772 -4.030 9.721 1.00 0.00 N ATOM 1142 CZ ARG A 76 -12.321 -4.939 8.924 1.00 0.00 C ATOM 1143 NH1 ARG A 76 -12.715 -4.605 7.703 1.00 0.00 N ATOM 1144 NH2 ARG A 76 -12.476 -6.187 9.347 1.00 0.00 N ATOM 0 H ARG A 76 -11.094 2.162 9.815 1.00 0.00 H new ATOM 0 HA ARG A 76 -11.240 0.580 12.116 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -12.344 0.070 9.968 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -10.786 -0.168 9.201 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -10.415 -1.999 11.032 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -12.149 -1.902 11.265 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -12.428 -2.286 8.768 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -10.701 -2.569 8.675 1.00 0.00 H new ATOM 0 HE ARG A 76 -11.479 -4.321 10.654 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -12.597 -3.647 7.373 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -13.136 -5.306 7.093 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -12.173 -6.449 10.285 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -12.898 -6.885 8.734 1.00 0.00 H new ATOM 1158 N PHE A 77 -8.290 0.704 10.717 1.00 0.00 N ATOM 1159 CA PHE A 77 -6.888 0.337 10.881 1.00 0.00 C ATOM 1160 C PHE A 77 -6.096 1.483 11.504 1.00 0.00 C ATOM 1161 O PHE A 77 -4.890 1.606 11.290 1.00 0.00 O ATOM 1162 CB PHE A 77 -6.278 -0.045 9.531 1.00 0.00 C ATOM 1163 CG PHE A 77 -7.043 -1.117 8.810 1.00 0.00 C ATOM 1164 CD1 PHE A 77 -7.115 -2.401 9.325 1.00 0.00 C ATOM 1165 CD2 PHE A 77 -7.690 -0.840 7.616 1.00 0.00 C ATOM 1166 CE1 PHE A 77 -7.818 -3.390 8.662 1.00 0.00 C ATOM 1167 CE2 PHE A 77 -8.395 -1.825 6.949 1.00 0.00 C ATOM 1168 CZ PHE A 77 -8.460 -3.101 7.473 1.00 0.00 C ATOM 0 H PHE A 77 -8.462 1.398 9.989 1.00 0.00 H new ATOM 0 HA PHE A 77 -6.838 -0.522 11.550 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -6.228 0.842 8.900 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -5.254 -0.383 9.687 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -6.616 -2.632 10.255 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -7.643 0.156 7.202 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -7.865 -4.388 9.073 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -8.894 -1.597 6.019 1.00 0.00 H new ATOM 0 HZ PHE A 77 -9.011 -3.871 6.955 1.00 0.00 H new ATOM 1178 N ASP A 78 -6.783 2.318 12.276 1.00 0.00 N ATOM 1179 CA ASP A 78 -6.144 3.453 12.932 1.00 0.00 C ATOM 1180 C ASP A 78 -5.163 4.144 11.989 1.00 0.00 C ATOM 1181 O ASP A 78 -3.991 4.326 12.320 1.00 0.00 O ATOM 1182 CB ASP A 78 -5.418 2.997 14.198 1.00 0.00 C ATOM 1183 CG ASP A 78 -4.870 4.159 15.003 1.00 0.00 C ATOM 1184 OD1 ASP A 78 -5.501 5.237 14.992 1.00 0.00 O ATOM 1185 OD2 ASP A 78 -3.811 3.991 15.643 1.00 0.00 O ATOM 0 H ASP A 78 -7.782 2.230 12.463 1.00 0.00 H new ATOM 0 HA ASP A 78 -6.921 4.166 13.206 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -6.104 2.421 14.819 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -4.600 2.331 13.924 1.00 0.00 H new ATOM 1190 N VAL A 79 -5.650 4.525 10.812 1.00 0.00 N ATOM 1191 CA VAL A 79 -4.816 5.195 9.821 1.00 0.00 C ATOM 1192 C VAL A 79 -5.016 6.706 9.866 1.00 0.00 C ATOM 1193 O VAL A 79 -5.936 7.239 9.247 1.00 0.00 O ATOM 1194 CB VAL A 79 -5.121 4.690 8.398 1.00 0.00 C ATOM 1195 CG1 VAL A 79 -4.266 5.426 7.377 1.00 0.00 C ATOM 1196 CG2 VAL A 79 -4.900 3.188 8.307 1.00 0.00 C ATOM 0 H VAL A 79 -6.617 4.381 10.522 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.780 4.961 10.068 1.00 0.00 H new ATOM 0 HB VAL A 79 -6.168 4.894 8.175 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -4.494 5.057 6.377 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -4.478 6.494 7.427 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -3.212 5.255 7.595 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -5.120 2.849 7.295 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -3.863 2.958 8.549 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -5.559 2.680 9.011 1.00 0.00 H new ATOM 1206 N SER A 80 -4.147 7.390 10.604 1.00 0.00 N ATOM 1207 CA SER A 80 -4.229 8.840 10.733 1.00 0.00 C ATOM 1208 C SER A 80 -2.940 9.502 10.257 1.00 0.00 C ATOM 1209 O SER A 80 -2.878 10.720 10.092 1.00 0.00 O ATOM 1210 CB SER A 80 -4.509 9.229 12.186 1.00 0.00 C ATOM 1211 OG SER A 80 -4.359 10.625 12.378 1.00 0.00 O ATOM 0 H SER A 80 -3.378 6.963 11.121 1.00 0.00 H new ATOM 0 HA SER A 80 -5.049 9.190 10.106 1.00 0.00 H new ATOM 0 HB2 SER A 80 -5.521 8.928 12.458 1.00 0.00 H new ATOM 0 HB3 SER A 80 -3.828 8.693 12.847 1.00 0.00 H new ATOM 0 HG SER A 80 -3.931 11.019 11.590 1.00 0.00 H new ATOM 1217 N GLY A 81 -1.910 8.689 10.038 1.00 0.00 N ATOM 1218 CA GLY A 81 -0.635 9.213 9.584 1.00 0.00 C ATOM 1219 C GLY A 81 -0.102 8.471 8.374 1.00 0.00 C ATOM 1220 O GLY A 81 0.502 7.407 8.506 1.00 0.00 O ATOM 0 H GLY A 81 -1.936 7.678 10.167 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -0.746 10.269 9.339 1.00 0.00 H new ATOM 0 HA3 GLY A 81 0.091 9.148 10.395 1.00 0.00 H new ATOM 1224 N TYR A 82 -0.328 9.033 7.191 1.00 0.00 N ATOM 1225 CA TYR A 82 0.131 8.416 5.952 1.00 0.00 C ATOM 1226 C TYR A 82 1.537 8.889 5.596 1.00 0.00 C ATOM 1227 O TYR A 82 1.982 9.961 6.006 1.00 0.00 O ATOM 1228 CB TYR A 82 -0.833 8.740 4.810 1.00 0.00 C ATOM 1229 CG TYR A 82 -2.246 9.019 5.270 1.00 0.00 C ATOM 1230 CD1 TYR A 82 -2.794 8.337 6.349 1.00 0.00 C ATOM 1231 CD2 TYR A 82 -3.033 9.966 4.626 1.00 0.00 C ATOM 1232 CE1 TYR A 82 -4.085 8.588 6.773 1.00 0.00 C ATOM 1233 CE2 TYR A 82 -4.325 10.225 5.043 1.00 0.00 C ATOM 1234 CZ TYR A 82 -4.846 9.533 6.116 1.00 0.00 C ATOM 1235 OH TYR A 82 -6.131 9.787 6.536 1.00 0.00 O ATOM 0 H TYR A 82 -0.826 9.914 7.064 1.00 0.00 H new ATOM 0 HA TYR A 82 0.158 7.337 6.101 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -0.459 9.607 4.266 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -0.846 7.905 4.109 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -2.200 7.597 6.866 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -2.628 10.509 3.785 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -4.496 8.048 7.613 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -4.923 10.965 4.532 1.00 0.00 H new ATOM 0 HH TYR A 82 -6.530 10.480 5.969 1.00 0.00 H new ATOM 1245 N PRO A 83 2.254 8.070 4.813 1.00 0.00 N ATOM 1246 CA PRO A 83 1.736 6.790 4.320 1.00 0.00 C ATOM 1247 C PRO A 83 1.587 5.757 5.432 1.00 0.00 C ATOM 1248 O PRO A 83 2.325 5.780 6.417 1.00 0.00 O ATOM 1249 CB PRO A 83 2.797 6.342 3.312 1.00 0.00 C ATOM 1250 CG PRO A 83 4.050 7.012 3.758 1.00 0.00 C ATOM 1251 CD PRO A 83 3.628 8.329 4.350 1.00 0.00 C ATOM 0 HA PRO A 83 0.739 6.892 3.892 1.00 0.00 H new ATOM 0 HB2 PRO A 83 2.907 5.258 3.309 1.00 0.00 H new ATOM 0 HB3 PRO A 83 2.529 6.638 2.298 1.00 0.00 H new ATOM 0 HG2 PRO A 83 4.577 6.404 4.494 1.00 0.00 H new ATOM 0 HG3 PRO A 83 4.732 7.161 2.921 1.00 0.00 H new ATOM 0 HD2 PRO A 83 4.279 8.628 5.171 1.00 0.00 H new ATOM 0 HD3 PRO A 83 3.659 9.130 3.611 1.00 0.00 H new ATOM 1259 N THR A 84 0.628 4.851 5.267 1.00 0.00 N ATOM 1260 CA THR A 84 0.383 3.810 6.257 1.00 0.00 C ATOM 1261 C THR A 84 0.174 2.455 5.590 1.00 0.00 C ATOM 1262 O THR A 84 -0.877 2.197 5.002 1.00 0.00 O ATOM 1263 CB THR A 84 -0.848 4.138 7.124 1.00 0.00 C ATOM 1264 OG1 THR A 84 -0.591 5.300 7.920 1.00 0.00 O ATOM 1265 CG2 THR A 84 -1.201 2.966 8.027 1.00 0.00 C ATOM 0 H THR A 84 0.009 4.817 4.457 1.00 0.00 H new ATOM 0 HA THR A 84 1.266 3.766 6.894 1.00 0.00 H new ATOM 0 HB THR A 84 -1.691 4.332 6.461 1.00 0.00 H new ATOM 0 HG1 THR A 84 0.277 5.681 7.672 1.00 0.00 H new ATOM 0 HG21 THR A 84 -2.073 3.221 8.630 1.00 0.00 H new ATOM 0 HG22 THR A 84 -1.425 2.091 7.417 1.00 0.00 H new ATOM 0 HG23 THR A 84 -0.359 2.745 8.683 1.00 0.00 H new ATOM 1273 N LEU A 85 1.180 1.593 5.685 1.00 0.00 N ATOM 1274 CA LEU A 85 1.106 0.263 5.091 1.00 0.00 C ATOM 1275 C LEU A 85 0.666 -0.770 6.122 1.00 0.00 C ATOM 1276 O LEU A 85 0.949 -0.635 7.313 1.00 0.00 O ATOM 1277 CB LEU A 85 2.463 -0.131 4.504 1.00 0.00 C ATOM 1278 CG LEU A 85 3.023 0.797 3.425 1.00 0.00 C ATOM 1279 CD1 LEU A 85 3.879 1.887 4.050 1.00 0.00 C ATOM 1280 CD2 LEU A 85 3.826 0.004 2.404 1.00 0.00 C ATOM 0 H LEU A 85 2.056 1.791 6.168 1.00 0.00 H new ATOM 0 HA LEU A 85 0.365 0.290 4.292 1.00 0.00 H new ATOM 0 HB2 LEU A 85 3.186 -0.187 5.318 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.378 -1.133 4.084 1.00 0.00 H new ATOM 0 HG LEU A 85 2.187 1.271 2.911 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.269 2.537 3.267 1.00 0.00 H new ATOM 0 HD12 LEU A 85 3.274 2.474 4.741 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.709 1.433 4.591 1.00 0.00 H new ATOM 0 HD21 LEU A 85 4.217 0.680 1.644 1.00 0.00 H new ATOM 0 HD22 LEU A 85 4.654 -0.498 2.903 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.183 -0.739 1.933 1.00 0.00 H new ATOM 1292 N LYS A 86 -0.026 -1.805 5.658 1.00 0.00 N ATOM 1293 CA LYS A 86 -0.503 -2.865 6.538 1.00 0.00 C ATOM 1294 C LYS A 86 -0.703 -4.165 5.766 1.00 0.00 C ATOM 1295 O LYS A 86 -1.299 -4.173 4.689 1.00 0.00 O ATOM 1296 CB LYS A 86 -1.816 -2.449 7.206 1.00 0.00 C ATOM 1297 CG LYS A 86 -1.636 -1.435 8.322 1.00 0.00 C ATOM 1298 CD LYS A 86 -2.692 -1.600 9.402 1.00 0.00 C ATOM 1299 CE LYS A 86 -2.761 -0.380 10.307 1.00 0.00 C ATOM 1300 NZ LYS A 86 -1.513 -0.207 11.101 1.00 0.00 N ATOM 0 H LYS A 86 -0.269 -1.932 4.676 1.00 0.00 H new ATOM 0 HA LYS A 86 0.252 -3.032 7.306 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -2.482 -2.031 6.451 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -2.306 -3.336 7.608 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -0.645 -1.548 8.761 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -1.689 -0.427 7.911 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -3.665 -1.766 8.939 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -2.468 -2.484 9.999 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -2.934 0.511 9.703 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -3.611 -0.477 10.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -1.600 0.635 11.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -1.361 -1.046 11.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -0.705 -0.089 10.457 1.00 0.00 H new ATOM 1314 N ILE A 87 -0.203 -5.262 6.325 1.00 0.00 N ATOM 1315 CA ILE A 87 -0.329 -6.568 5.689 1.00 0.00 C ATOM 1316 C ILE A 87 -1.642 -7.242 6.075 1.00 0.00 C ATOM 1317 O ILE A 87 -2.127 -7.085 7.195 1.00 0.00 O ATOM 1318 CB ILE A 87 0.841 -7.494 6.069 1.00 0.00 C ATOM 1319 CG1 ILE A 87 2.169 -6.891 5.604 1.00 0.00 C ATOM 1320 CG2 ILE A 87 0.641 -8.876 5.464 1.00 0.00 C ATOM 1321 CD1 ILE A 87 3.382 -7.645 6.102 1.00 0.00 C ATOM 0 H ILE A 87 0.293 -5.273 7.216 1.00 0.00 H new ATOM 0 HA ILE A 87 -0.312 -6.398 4.612 1.00 0.00 H new ATOM 0 HB ILE A 87 0.868 -7.594 7.154 1.00 0.00 H new ATOM 0 HG12 ILE A 87 2.187 -6.869 4.514 1.00 0.00 H new ATOM 0 HG13 ILE A 87 2.229 -5.857 5.945 1.00 0.00 H new ATOM 0 HG21 ILE A 87 1.476 -9.519 5.742 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -0.288 -9.306 5.838 1.00 0.00 H new ATOM 0 HG23 ILE A 87 0.591 -8.794 4.378 1.00 0.00 H new ATOM 0 HD11 ILE A 87 4.287 -7.162 5.734 1.00 0.00 H new ATOM 0 HD12 ILE A 87 3.388 -7.645 7.192 1.00 0.00 H new ATOM 0 HD13 ILE A 87 3.346 -8.672 5.739 1.00 0.00 H new ATOM 1333 N PHE A 88 -2.210 -7.995 5.139 1.00 0.00 N ATOM 1334 CA PHE A 88 -3.467 -8.695 5.380 1.00 0.00 C ATOM 1335 C PHE A 88 -3.349 -10.169 5.006 1.00 0.00 C ATOM 1336 O PHE A 88 -2.842 -10.511 3.938 1.00 0.00 O ATOM 1337 CB PHE A 88 -4.599 -8.044 4.583 1.00 0.00 C ATOM 1338 CG PHE A 88 -5.046 -6.724 5.145 1.00 0.00 C ATOM 1339 CD1 PHE A 88 -4.249 -5.598 5.019 1.00 0.00 C ATOM 1340 CD2 PHE A 88 -6.263 -6.610 5.797 1.00 0.00 C ATOM 1341 CE1 PHE A 88 -4.657 -4.382 5.536 1.00 0.00 C ATOM 1342 CE2 PHE A 88 -6.677 -5.398 6.315 1.00 0.00 C ATOM 1343 CZ PHE A 88 -5.873 -4.282 6.183 1.00 0.00 C ATOM 0 H PHE A 88 -1.820 -8.136 4.207 1.00 0.00 H new ATOM 0 HA PHE A 88 -3.694 -8.625 6.444 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -4.271 -7.899 3.554 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -5.450 -8.724 4.554 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -3.298 -5.671 4.511 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -6.896 -7.479 5.902 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -4.026 -3.512 5.434 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -7.627 -5.323 6.822 1.00 0.00 H new ATOM 0 HZ PHE A 88 -6.195 -3.333 6.585 1.00 0.00 H new ATOM 1353 N ARG A 89 -3.820 -11.039 5.895 1.00 0.00 N ATOM 1354 CA ARG A 89 -3.766 -12.476 5.659 1.00 0.00 C ATOM 1355 C ARG A 89 -5.166 -13.083 5.675 1.00 0.00 C ATOM 1356 O ARG A 89 -5.802 -13.178 6.725 1.00 0.00 O ATOM 1357 CB ARG A 89 -2.893 -13.155 6.717 1.00 0.00 C ATOM 1358 CG ARG A 89 -1.485 -12.588 6.799 1.00 0.00 C ATOM 1359 CD ARG A 89 -0.492 -13.631 7.290 1.00 0.00 C ATOM 1360 NE ARG A 89 -0.802 -14.087 8.642 1.00 0.00 N ATOM 1361 CZ ARG A 89 -0.393 -15.251 9.137 1.00 0.00 C ATOM 1362 NH1 ARG A 89 0.338 -16.070 8.395 1.00 0.00 N ATOM 1363 NH2 ARG A 89 -0.716 -15.596 10.377 1.00 0.00 N ATOM 0 H ARG A 89 -4.243 -10.773 6.784 1.00 0.00 H new ATOM 0 HA ARG A 89 -3.328 -12.641 4.675 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -3.373 -13.056 7.691 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -2.834 -14.221 6.498 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -1.179 -12.227 5.817 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -1.476 -11.730 7.471 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -0.495 -14.483 6.610 1.00 0.00 H new ATOM 0 HD3 ARG A 89 0.514 -13.212 7.270 1.00 0.00 H new ATOM 0 HE ARG A 89 -1.363 -13.479 9.239 1.00 0.00 H new ATOM 0 HH11 ARG A 89 0.588 -15.808 7.442 1.00 0.00 H new ATOM 0 HH12 ARG A 89 0.651 -16.963 8.777 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -1.278 -14.968 10.951 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -0.402 -16.489 10.756 1.00 0.00 H new ATOM 1377 N LYS A 90 -5.641 -13.491 4.503 1.00 0.00 N ATOM 1378 CA LYS A 90 -6.965 -14.089 4.380 1.00 0.00 C ATOM 1379 C LYS A 90 -7.973 -13.365 5.266 1.00 0.00 C ATOM 1380 O LYS A 90 -8.933 -13.964 5.748 1.00 0.00 O ATOM 1381 CB LYS A 90 -6.914 -15.572 4.755 1.00 0.00 C ATOM 1382 CG LYS A 90 -6.189 -16.433 3.735 1.00 0.00 C ATOM 1383 CD LYS A 90 -7.010 -16.609 2.469 1.00 0.00 C ATOM 1384 CE LYS A 90 -8.055 -17.703 2.631 1.00 0.00 C ATOM 1385 NZ LYS A 90 -9.143 -17.584 1.620 1.00 0.00 N ATOM 0 H LYS A 90 -5.128 -13.418 3.624 1.00 0.00 H new ATOM 0 HA LYS A 90 -7.285 -13.993 3.342 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -6.422 -15.677 5.722 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -7.932 -15.943 4.874 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -5.231 -15.976 3.488 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -5.974 -17.410 4.169 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -7.501 -15.669 2.219 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -6.350 -16.855 1.637 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -7.577 -18.678 2.538 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -8.482 -17.652 3.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -9.835 -18.347 1.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -9.616 -16.664 1.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -8.739 -17.658 0.665 1.00 0.00 H new ATOM 1399 N GLY A 91 -7.749 -12.071 5.474 1.00 0.00 N ATOM 1400 CA GLY A 91 -8.648 -11.286 6.300 1.00 0.00 C ATOM 1401 C GLY A 91 -8.082 -11.018 7.680 1.00 0.00 C ATOM 1402 O GLY A 91 -8.820 -10.977 8.664 1.00 0.00 O ATOM 0 H GLY A 91 -6.961 -11.552 5.085 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -8.856 -10.337 5.805 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -9.599 -11.810 6.396 1.00 0.00 H new ATOM 1406 N ARG A 92 -6.767 -10.836 7.753 1.00 0.00 N ATOM 1407 CA ARG A 92 -6.102 -10.573 9.024 1.00 0.00 C ATOM 1408 C ARG A 92 -5.037 -9.492 8.867 1.00 0.00 C ATOM 1409 O ARG A 92 -3.958 -9.724 8.321 1.00 0.00 O ATOM 1410 CB ARG A 92 -5.467 -11.855 9.565 1.00 0.00 C ATOM 1411 CG ARG A 92 -6.438 -12.742 10.326 1.00 0.00 C ATOM 1412 CD ARG A 92 -5.957 -14.184 10.374 1.00 0.00 C ATOM 1413 NE ARG A 92 -7.032 -15.109 10.723 1.00 0.00 N ATOM 1414 CZ ARG A 92 -7.902 -15.590 9.843 1.00 0.00 C ATOM 1415 NH1 ARG A 92 -7.826 -15.235 8.568 1.00 0.00 N ATOM 1416 NH2 ARG A 92 -8.853 -16.428 10.238 1.00 0.00 N ATOM 0 H ARG A 92 -6.142 -10.866 6.948 1.00 0.00 H new ATOM 0 HA ARG A 92 -6.852 -10.220 9.732 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -5.047 -12.421 8.734 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -4.638 -11.591 10.222 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -6.559 -12.364 11.341 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -7.419 -12.700 9.852 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -5.542 -14.460 9.405 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -5.151 -14.273 11.103 1.00 0.00 H new ATOM 0 HE ARG A 92 -7.119 -15.402 11.696 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -7.098 -14.591 8.261 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -8.496 -15.606 7.894 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -8.916 -16.703 11.218 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -9.521 -16.797 9.561 1.00 0.00 H new ATOM 1430 N PRO A 93 -5.346 -8.282 9.355 1.00 0.00 N ATOM 1431 CA PRO A 93 -4.428 -7.141 9.280 1.00 0.00 C ATOM 1432 C PRO A 93 -3.219 -7.308 10.194 1.00 0.00 C ATOM 1433 O PRO A 93 -3.315 -7.913 11.262 1.00 0.00 O ATOM 1434 CB PRO A 93 -5.289 -5.963 9.744 1.00 0.00 C ATOM 1435 CG PRO A 93 -6.340 -6.577 10.604 1.00 0.00 C ATOM 1436 CD PRO A 93 -6.614 -7.934 10.017 1.00 0.00 C ATOM 0 HA PRO A 93 -4.013 -7.017 8.280 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -4.698 -5.235 10.300 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -5.729 -5.436 8.897 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -6.000 -6.660 11.636 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -7.243 -5.966 10.613 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -6.877 -8.659 10.787 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -7.442 -7.906 9.309 1.00 0.00 H new ATOM 1444 N PHE A 94 -2.082 -6.770 9.767 1.00 0.00 N ATOM 1445 CA PHE A 94 -0.853 -6.860 10.547 1.00 0.00 C ATOM 1446 C PHE A 94 -0.005 -5.604 10.374 1.00 0.00 C ATOM 1447 O PHE A 94 0.349 -5.229 9.256 1.00 0.00 O ATOM 1448 CB PHE A 94 -0.048 -8.093 10.129 1.00 0.00 C ATOM 1449 CG PHE A 94 -0.732 -9.392 10.450 1.00 0.00 C ATOM 1450 CD1 PHE A 94 -1.586 -9.986 9.535 1.00 0.00 C ATOM 1451 CD2 PHE A 94 -0.520 -10.018 11.668 1.00 0.00 C ATOM 1452 CE1 PHE A 94 -2.215 -11.181 9.827 1.00 0.00 C ATOM 1453 CE2 PHE A 94 -1.147 -11.213 11.966 1.00 0.00 C ATOM 1454 CZ PHE A 94 -1.997 -11.795 11.045 1.00 0.00 C ATOM 0 H PHE A 94 -1.986 -6.267 8.885 1.00 0.00 H new ATOM 0 HA PHE A 94 -1.126 -6.951 11.598 1.00 0.00 H new ATOM 0 HB2 PHE A 94 0.142 -8.047 9.057 1.00 0.00 H new ATOM 0 HB3 PHE A 94 0.922 -8.070 10.626 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -1.762 -9.509 8.582 1.00 0.00 H new ATOM 0 HD2 PHE A 94 0.142 -9.567 12.392 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -2.876 -11.635 9.104 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -0.973 -11.692 12.918 1.00 0.00 H new ATOM 0 HZ PHE A 94 -2.490 -12.728 11.277 1.00 0.00 H new ATOM 1464 N ASP A 95 0.317 -4.957 11.489 1.00 0.00 N ATOM 1465 CA ASP A 95 1.123 -3.742 11.462 1.00 0.00 C ATOM 1466 C ASP A 95 2.383 -3.945 10.626 1.00 0.00 C ATOM 1467 O ASP A 95 3.281 -4.694 11.010 1.00 0.00 O ATOM 1468 CB ASP A 95 1.501 -3.324 12.884 1.00 0.00 C ATOM 1469 CG ASP A 95 0.290 -2.977 13.727 1.00 0.00 C ATOM 1470 OD1 ASP A 95 -0.380 -3.911 14.216 1.00 0.00 O ATOM 1471 OD2 ASP A 95 0.012 -1.772 13.898 1.00 0.00 O ATOM 0 H ASP A 95 0.032 -5.254 12.422 1.00 0.00 H new ATOM 0 HA ASP A 95 0.529 -2.951 11.005 1.00 0.00 H new ATOM 0 HB2 ASP A 95 2.053 -4.133 13.362 1.00 0.00 H new ATOM 0 HB3 ASP A 95 2.169 -2.464 12.841 1.00 0.00 H new ATOM 1476 N TYR A 96 2.442 -3.272 9.482 1.00 0.00 N ATOM 1477 CA TYR A 96 3.590 -3.381 8.590 1.00 0.00 C ATOM 1478 C TYR A 96 4.771 -2.574 9.120 1.00 0.00 C ATOM 1479 O TYR A 96 4.734 -1.344 9.149 1.00 0.00 O ATOM 1480 CB TYR A 96 3.219 -2.901 7.186 1.00 0.00 C ATOM 1481 CG TYR A 96 4.401 -2.802 6.247 1.00 0.00 C ATOM 1482 CD1 TYR A 96 5.251 -1.704 6.282 1.00 0.00 C ATOM 1483 CD2 TYR A 96 4.667 -3.808 5.326 1.00 0.00 C ATOM 1484 CE1 TYR A 96 6.331 -1.609 5.426 1.00 0.00 C ATOM 1485 CE2 TYR A 96 5.746 -3.722 4.468 1.00 0.00 C ATOM 1486 CZ TYR A 96 6.574 -2.621 4.521 1.00 0.00 C ATOM 1487 OH TYR A 96 7.650 -2.531 3.668 1.00 0.00 O ATOM 0 H TYR A 96 1.708 -2.645 9.151 1.00 0.00 H new ATOM 0 HA TYR A 96 3.882 -4.430 8.543 1.00 0.00 H new ATOM 0 HB2 TYR A 96 2.484 -3.584 6.760 1.00 0.00 H new ATOM 0 HB3 TYR A 96 2.741 -1.924 7.260 1.00 0.00 H new ATOM 0 HD1 TYR A 96 5.064 -0.911 6.991 1.00 0.00 H new ATOM 0 HD2 TYR A 96 4.019 -4.671 5.280 1.00 0.00 H new ATOM 0 HE1 TYR A 96 6.981 -0.748 5.465 1.00 0.00 H new ATOM 0 HE2 TYR A 96 5.940 -4.513 3.759 1.00 0.00 H new ATOM 0 HH TYR A 96 8.252 -1.822 3.975 1.00 0.00 H new ATOM 1497 N ASN A 97 5.819 -3.276 9.539 1.00 0.00 N ATOM 1498 CA ASN A 97 7.012 -2.625 10.069 1.00 0.00 C ATOM 1499 C ASN A 97 8.241 -2.986 9.241 1.00 0.00 C ATOM 1500 O ASN A 97 8.656 -4.143 9.197 1.00 0.00 O ATOM 1501 CB ASN A 97 7.231 -3.027 11.529 1.00 0.00 C ATOM 1502 CG ASN A 97 6.445 -2.158 12.492 1.00 0.00 C ATOM 1503 OD1 ASN A 97 6.360 -0.942 12.320 1.00 0.00 O ATOM 1504 ND2 ASN A 97 5.866 -2.780 13.512 1.00 0.00 N ATOM 0 H ASN A 97 5.866 -4.295 9.522 1.00 0.00 H new ATOM 0 HA ASN A 97 6.863 -1.547 10.014 1.00 0.00 H new ATOM 0 HB2 ASN A 97 6.940 -4.069 11.664 1.00 0.00 H new ATOM 0 HB3 ASN A 97 8.293 -2.959 11.766 1.00 0.00 H new ATOM 0 HD21 ASN A 97 5.324 -2.248 14.193 1.00 0.00 H new ATOM 0 HD22 ASN A 97 5.963 -3.790 13.615 1.00 0.00 H new ATOM 1511 N GLY A 98 8.821 -1.985 8.585 1.00 0.00 N ATOM 1512 CA GLY A 98 9.997 -2.216 7.767 1.00 0.00 C ATOM 1513 C GLY A 98 10.330 -1.032 6.882 1.00 0.00 C ATOM 1514 O GLY A 98 9.904 0.096 7.131 1.00 0.00 O ATOM 0 H GLY A 98 8.497 -1.018 8.606 1.00 0.00 H new ATOM 0 HA2 GLY A 98 10.848 -2.433 8.413 1.00 0.00 H new ATOM 0 HA3 GLY A 98 9.836 -3.096 7.145 1.00 0.00 H new ATOM 1518 N PRO A 99 11.110 -1.283 5.820 1.00 0.00 N ATOM 1519 CA PRO A 99 11.518 -0.240 4.873 1.00 0.00 C ATOM 1520 C PRO A 99 10.355 0.259 4.024 1.00 0.00 C ATOM 1521 O PRO A 99 9.417 -0.486 3.740 1.00 0.00 O ATOM 1522 CB PRO A 99 12.557 -0.944 3.997 1.00 0.00 C ATOM 1523 CG PRO A 99 12.206 -2.389 4.079 1.00 0.00 C ATOM 1524 CD PRO A 99 11.654 -2.603 5.461 1.00 0.00 C ATOM 0 HA PRO A 99 11.899 0.646 5.381 1.00 0.00 H new ATOM 0 HB2 PRO A 99 12.516 -0.585 2.969 1.00 0.00 H new ATOM 0 HB3 PRO A 99 13.569 -0.761 4.359 1.00 0.00 H new ATOM 0 HG2 PRO A 99 11.471 -2.656 3.320 1.00 0.00 H new ATOM 0 HG3 PRO A 99 13.083 -3.014 3.908 1.00 0.00 H new ATOM 0 HD2 PRO A 99 10.881 -3.372 5.470 1.00 0.00 H new ATOM 0 HD3 PRO A 99 12.429 -2.921 6.158 1.00 0.00 H new ATOM 1532 N ARG A 100 10.422 1.523 3.621 1.00 0.00 N ATOM 1533 CA ARG A 100 9.373 2.122 2.804 1.00 0.00 C ATOM 1534 C ARG A 100 9.873 2.388 1.387 1.00 0.00 C ATOM 1535 O ARG A 100 9.428 3.327 0.728 1.00 0.00 O ATOM 1536 CB ARG A 100 8.885 3.426 3.437 1.00 0.00 C ATOM 1537 CG ARG A 100 7.911 3.218 4.585 1.00 0.00 C ATOM 1538 CD ARG A 100 7.416 4.543 5.143 1.00 0.00 C ATOM 1539 NE ARG A 100 8.456 5.243 5.894 1.00 0.00 N ATOM 1540 CZ ARG A 100 8.401 6.535 6.195 1.00 0.00 C ATOM 1541 NH1 ARG A 100 7.362 7.265 5.811 1.00 0.00 N ATOM 1542 NH2 ARG A 100 9.386 7.100 6.881 1.00 0.00 N ATOM 0 H ARG A 100 11.192 2.153 3.847 1.00 0.00 H new ATOM 0 HA ARG A 100 8.542 1.419 2.752 1.00 0.00 H new ATOM 0 HB2 ARG A 100 9.746 3.989 3.799 1.00 0.00 H new ATOM 0 HB3 ARG A 100 8.406 4.035 2.671 1.00 0.00 H new ATOM 0 HG2 ARG A 100 7.062 2.627 4.241 1.00 0.00 H new ATOM 0 HG3 ARG A 100 8.397 2.647 5.377 1.00 0.00 H new ATOM 0 HD2 ARG A 100 7.072 5.175 4.324 1.00 0.00 H new ATOM 0 HD3 ARG A 100 6.558 4.366 5.791 1.00 0.00 H new ATOM 0 HE ARG A 100 9.269 4.710 6.204 1.00 0.00 H new ATOM 0 HH11 ARG A 100 6.603 6.834 5.283 1.00 0.00 H new ATOM 0 HH12 ARG A 100 7.322 8.257 6.044 1.00 0.00 H new ATOM 0 HH21 ARG A 100 10.186 6.542 7.178 1.00 0.00 H new ATOM 0 HH22 ARG A 100 9.343 8.093 7.112 1.00 0.00 H new ATOM 1556 N GLU A 101 10.802 1.556 0.926 1.00 0.00 N ATOM 1557 CA GLU A 101 11.363 1.703 -0.412 1.00 0.00 C ATOM 1558 C GLU A 101 11.008 0.503 -1.286 1.00 0.00 C ATOM 1559 O GLU A 101 10.874 -0.618 -0.796 1.00 0.00 O ATOM 1560 CB GLU A 101 12.883 1.862 -0.337 1.00 0.00 C ATOM 1561 CG GLU A 101 13.328 3.121 0.387 1.00 0.00 C ATOM 1562 CD GLU A 101 14.835 3.289 0.393 1.00 0.00 C ATOM 1563 OE1 GLU A 101 15.542 2.284 0.618 1.00 0.00 O ATOM 1564 OE2 GLU A 101 15.307 4.424 0.174 1.00 0.00 O ATOM 0 H GLU A 101 11.182 0.774 1.459 1.00 0.00 H new ATOM 0 HA GLU A 101 10.933 2.598 -0.862 1.00 0.00 H new ATOM 0 HB2 GLU A 101 13.306 0.994 0.168 1.00 0.00 H new ATOM 0 HB3 GLU A 101 13.289 1.872 -1.348 1.00 0.00 H new ATOM 0 HG2 GLU A 101 12.871 3.989 -0.088 1.00 0.00 H new ATOM 0 HG3 GLU A 101 12.965 3.092 1.414 1.00 0.00 H new ATOM 1571 N LYS A 102 10.857 0.748 -2.583 1.00 0.00 N ATOM 1572 CA LYS A 102 10.519 -0.310 -3.527 1.00 0.00 C ATOM 1573 C LYS A 102 11.194 -1.622 -3.139 1.00 0.00 C ATOM 1574 O LYS A 102 10.524 -2.611 -2.838 1.00 0.00 O ATOM 1575 CB LYS A 102 10.936 0.090 -4.944 1.00 0.00 C ATOM 1576 CG LYS A 102 10.845 -1.046 -5.949 1.00 0.00 C ATOM 1577 CD LYS A 102 11.759 -0.811 -7.140 1.00 0.00 C ATOM 1578 CE LYS A 102 12.035 -2.103 -7.894 1.00 0.00 C ATOM 1579 NZ LYS A 102 13.162 -1.954 -8.856 1.00 0.00 N ATOM 0 H LYS A 102 10.963 1.671 -3.004 1.00 0.00 H new ATOM 0 HA LYS A 102 9.439 -0.455 -3.500 1.00 0.00 H new ATOM 0 HB2 LYS A 102 10.305 0.913 -5.281 1.00 0.00 H new ATOM 0 HB3 LYS A 102 11.960 0.462 -4.921 1.00 0.00 H new ATOM 0 HG2 LYS A 102 11.112 -1.985 -5.464 1.00 0.00 H new ATOM 0 HG3 LYS A 102 9.816 -1.147 -6.293 1.00 0.00 H new ATOM 0 HD2 LYS A 102 11.302 -0.086 -7.813 1.00 0.00 H new ATOM 0 HD3 LYS A 102 12.700 -0.380 -6.798 1.00 0.00 H new ATOM 0 HE2 LYS A 102 12.267 -2.896 -7.183 1.00 0.00 H new ATOM 0 HE3 LYS A 102 11.137 -2.409 -8.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 12.785 -1.746 -9.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 13.779 -1.175 -8.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 13.710 -2.837 -8.888 1.00 0.00 H new ATOM 1593 N TYR A 103 12.522 -1.623 -3.146 1.00 0.00 N ATOM 1594 CA TYR A 103 13.287 -2.814 -2.796 1.00 0.00 C ATOM 1595 C TYR A 103 12.886 -3.333 -1.418 1.00 0.00 C ATOM 1596 O TYR A 103 12.362 -4.438 -1.287 1.00 0.00 O ATOM 1597 CB TYR A 103 14.786 -2.509 -2.822 1.00 0.00 C ATOM 1598 CG TYR A 103 15.218 -1.697 -4.022 1.00 0.00 C ATOM 1599 CD1 TYR A 103 15.019 -2.169 -5.313 1.00 0.00 C ATOM 1600 CD2 TYR A 103 15.824 -0.456 -3.864 1.00 0.00 C ATOM 1601 CE1 TYR A 103 15.412 -1.431 -6.412 1.00 0.00 C ATOM 1602 CE2 TYR A 103 16.219 0.289 -4.957 1.00 0.00 C ATOM 1603 CZ TYR A 103 16.012 -0.202 -6.229 1.00 0.00 C ATOM 1604 OH TYR A 103 16.405 0.537 -7.322 1.00 0.00 O ATOM 0 H TYR A 103 13.091 -0.813 -3.390 1.00 0.00 H new ATOM 0 HA TYR A 103 13.067 -3.586 -3.534 1.00 0.00 H new ATOM 0 HB2 TYR A 103 15.054 -1.970 -1.913 1.00 0.00 H new ATOM 0 HB3 TYR A 103 15.340 -3.448 -2.811 1.00 0.00 H new ATOM 0 HD1 TYR A 103 14.549 -3.130 -5.460 1.00 0.00 H new ATOM 0 HD2 TYR A 103 15.989 -0.068 -2.870 1.00 0.00 H new ATOM 0 HE1 TYR A 103 15.251 -1.814 -7.409 1.00 0.00 H new ATOM 0 HE2 TYR A 103 16.688 1.252 -4.817 1.00 0.00 H new ATOM 0 HH TYR A 103 16.809 1.377 -7.021 1.00 0.00 H new ATOM 1614 N GLY A 104 13.137 -2.525 -0.392 1.00 0.00 N ATOM 1615 CA GLY A 104 12.796 -2.919 0.962 1.00 0.00 C ATOM 1616 C GLY A 104 11.446 -3.602 1.045 1.00 0.00 C ATOM 1617 O GLY A 104 11.358 -4.777 1.404 1.00 0.00 O ATOM 0 H GLY A 104 13.570 -1.605 -0.475 1.00 0.00 H new ATOM 0 HA2 GLY A 104 13.564 -3.591 1.346 1.00 0.00 H new ATOM 0 HA3 GLY A 104 12.794 -2.038 1.604 1.00 0.00 H new ATOM 1621 N ILE A 105 10.391 -2.865 0.715 1.00 0.00 N ATOM 1622 CA ILE A 105 9.038 -3.408 0.754 1.00 0.00 C ATOM 1623 C ILE A 105 8.993 -4.816 0.170 1.00 0.00 C ATOM 1624 O ILE A 105 8.503 -5.748 0.806 1.00 0.00 O ATOM 1625 CB ILE A 105 8.050 -2.513 -0.017 1.00 0.00 C ATOM 1626 CG1 ILE A 105 8.032 -1.104 0.580 1.00 0.00 C ATOM 1627 CG2 ILE A 105 6.656 -3.121 0.006 1.00 0.00 C ATOM 1628 CD1 ILE A 105 7.362 -0.080 -0.308 1.00 0.00 C ATOM 0 H ILE A 105 10.446 -1.891 0.418 1.00 0.00 H new ATOM 0 HA ILE A 105 8.742 -3.443 1.803 1.00 0.00 H new ATOM 0 HB ILE A 105 8.378 -2.444 -1.054 1.00 0.00 H new ATOM 0 HG12 ILE A 105 7.518 -1.132 1.541 1.00 0.00 H new ATOM 0 HG13 ILE A 105 9.057 -0.788 0.776 1.00 0.00 H new ATOM 0 HG21 ILE A 105 5.969 -2.477 -0.543 1.00 0.00 H new ATOM 0 HG22 ILE A 105 6.681 -4.106 -0.460 1.00 0.00 H new ATOM 0 HG23 ILE A 105 6.318 -3.216 1.038 1.00 0.00 H new ATOM 0 HD11 ILE A 105 7.386 0.895 0.179 1.00 0.00 H new ATOM 0 HD12 ILE A 105 7.889 -0.023 -1.260 1.00 0.00 H new ATOM 0 HD13 ILE A 105 6.327 -0.372 -0.484 1.00 0.00 H new ATOM 1640 N VAL A 106 9.511 -4.963 -1.046 1.00 0.00 N ATOM 1641 CA VAL A 106 9.533 -6.258 -1.715 1.00 0.00 C ATOM 1642 C VAL A 106 10.205 -7.315 -0.846 1.00 0.00 C ATOM 1643 O VAL A 106 9.618 -8.356 -0.552 1.00 0.00 O ATOM 1644 CB VAL A 106 10.267 -6.178 -3.067 1.00 0.00 C ATOM 1645 CG1 VAL A 106 10.476 -7.570 -3.644 1.00 0.00 C ATOM 1646 CG2 VAL A 106 9.496 -5.299 -4.040 1.00 0.00 C ATOM 0 H VAL A 106 9.921 -4.201 -1.587 1.00 0.00 H new ATOM 0 HA VAL A 106 8.495 -6.542 -1.889 1.00 0.00 H new ATOM 0 HB VAL A 106 11.246 -5.728 -2.903 1.00 0.00 H new ATOM 0 HG11 VAL A 106 10.996 -7.494 -4.599 1.00 0.00 H new ATOM 0 HG12 VAL A 106 11.073 -8.165 -2.952 1.00 0.00 H new ATOM 0 HG13 VAL A 106 9.509 -8.050 -3.795 1.00 0.00 H new ATOM 0 HG21 VAL A 106 10.029 -5.254 -4.990 1.00 0.00 H new ATOM 0 HG22 VAL A 106 8.503 -5.718 -4.201 1.00 0.00 H new ATOM 0 HG23 VAL A 106 9.403 -4.294 -3.628 1.00 0.00 H new ATOM 1656 N ASP A 107 11.439 -7.040 -0.438 1.00 0.00 N ATOM 1657 CA ASP A 107 12.192 -7.966 0.400 1.00 0.00 C ATOM 1658 C ASP A 107 11.397 -8.339 1.647 1.00 0.00 C ATOM 1659 O ASP A 107 11.340 -9.507 2.032 1.00 0.00 O ATOM 1660 CB ASP A 107 13.533 -7.350 0.800 1.00 0.00 C ATOM 1661 CG ASP A 107 14.161 -8.052 1.988 1.00 0.00 C ATOM 1662 OD1 ASP A 107 14.632 -9.196 1.821 1.00 0.00 O ATOM 1663 OD2 ASP A 107 14.180 -7.457 3.087 1.00 0.00 O ATOM 0 H ASP A 107 11.939 -6.183 -0.674 1.00 0.00 H new ATOM 0 HA ASP A 107 12.375 -8.873 -0.177 1.00 0.00 H new ATOM 0 HB2 ASP A 107 14.217 -7.394 -0.048 1.00 0.00 H new ATOM 0 HB3 ASP A 107 13.389 -6.296 1.039 1.00 0.00 H new ATOM 1668 N TYR A 108 10.786 -7.340 2.274 1.00 0.00 N ATOM 1669 CA TYR A 108 9.997 -7.563 3.480 1.00 0.00 C ATOM 1670 C TYR A 108 8.824 -8.497 3.199 1.00 0.00 C ATOM 1671 O TYR A 108 8.784 -9.625 3.689 1.00 0.00 O ATOM 1672 CB TYR A 108 9.483 -6.232 4.031 1.00 0.00 C ATOM 1673 CG TYR A 108 8.828 -6.352 5.388 1.00 0.00 C ATOM 1674 CD1 TYR A 108 7.480 -6.671 5.505 1.00 0.00 C ATOM 1675 CD2 TYR A 108 9.555 -6.145 6.554 1.00 0.00 C ATOM 1676 CE1 TYR A 108 6.877 -6.781 6.743 1.00 0.00 C ATOM 1677 CE2 TYR A 108 8.961 -6.254 7.796 1.00 0.00 C ATOM 1678 CZ TYR A 108 7.622 -6.572 7.886 1.00 0.00 C ATOM 1679 OH TYR A 108 7.025 -6.680 9.121 1.00 0.00 O ATOM 0 H TYR A 108 10.822 -6.368 1.967 1.00 0.00 H new ATOM 0 HA TYR A 108 10.641 -8.032 4.224 1.00 0.00 H new ATOM 0 HB2 TYR A 108 10.315 -5.531 4.099 1.00 0.00 H new ATOM 0 HB3 TYR A 108 8.766 -5.809 3.327 1.00 0.00 H new ATOM 0 HD1 TYR A 108 6.894 -6.836 4.613 1.00 0.00 H new ATOM 0 HD2 TYR A 108 10.603 -5.894 6.488 1.00 0.00 H new ATOM 0 HE1 TYR A 108 5.828 -7.029 6.816 1.00 0.00 H new ATOM 0 HE2 TYR A 108 9.542 -6.091 8.692 1.00 0.00 H new ATOM 0 HH TYR A 108 7.275 -5.910 9.674 1.00 0.00 H new ATOM 1689 N MET A 109 7.872 -8.019 2.405 1.00 0.00 N ATOM 1690 CA MET A 109 6.698 -8.811 2.057 1.00 0.00 C ATOM 1691 C MET A 109 7.064 -10.284 1.900 1.00 0.00 C ATOM 1692 O MET A 109 6.295 -11.167 2.281 1.00 0.00 O ATOM 1693 CB MET A 109 6.070 -8.289 0.763 1.00 0.00 C ATOM 1694 CG MET A 109 5.445 -6.910 0.905 1.00 0.00 C ATOM 1695 SD MET A 109 4.266 -6.818 2.265 1.00 0.00 S ATOM 1696 CE MET A 109 3.159 -8.162 1.845 1.00 0.00 C ATOM 0 H MET A 109 7.890 -7.087 1.990 1.00 0.00 H new ATOM 0 HA MET A 109 5.974 -8.718 2.867 1.00 0.00 H new ATOM 0 HB2 MET A 109 6.834 -8.255 -0.014 1.00 0.00 H new ATOM 0 HB3 MET A 109 5.307 -8.992 0.429 1.00 0.00 H new ATOM 0 HG2 MET A 109 6.233 -6.173 1.062 1.00 0.00 H new ATOM 0 HG3 MET A 109 4.942 -6.646 -0.025 1.00 0.00 H new ATOM 0 HE1 MET A 109 2.288 -8.134 2.500 1.00 0.00 H new ATOM 0 HE2 MET A 109 2.837 -8.058 0.809 1.00 0.00 H new ATOM 0 HE3 MET A 109 3.677 -9.113 1.971 1.00 0.00 H new ATOM 1706 N ILE A 110 8.240 -10.540 1.337 1.00 0.00 N ATOM 1707 CA ILE A 110 8.706 -11.906 1.131 1.00 0.00 C ATOM 1708 C ILE A 110 8.905 -12.625 2.460 1.00 0.00 C ATOM 1709 O ILE A 110 8.220 -13.604 2.755 1.00 0.00 O ATOM 1710 CB ILE A 110 10.027 -11.936 0.341 1.00 0.00 C ATOM 1711 CG1 ILE A 110 9.783 -11.552 -1.120 1.00 0.00 C ATOM 1712 CG2 ILE A 110 10.667 -13.314 0.432 1.00 0.00 C ATOM 1713 CD1 ILE A 110 11.034 -11.110 -1.846 1.00 0.00 C ATOM 0 H ILE A 110 8.887 -9.820 1.016 1.00 0.00 H new ATOM 0 HA ILE A 110 7.936 -12.419 0.555 1.00 0.00 H new ATOM 0 HB ILE A 110 10.711 -11.209 0.778 1.00 0.00 H new ATOM 0 HG12 ILE A 110 9.351 -12.405 -1.644 1.00 0.00 H new ATOM 0 HG13 ILE A 110 9.048 -10.748 -1.158 1.00 0.00 H new ATOM 0 HG21 ILE A 110 11.600 -13.320 -0.131 1.00 0.00 H new ATOM 0 HG22 ILE A 110 10.872 -13.552 1.476 1.00 0.00 H new ATOM 0 HG23 ILE A 110 9.988 -14.059 0.017 1.00 0.00 H new ATOM 0 HD11 ILE A 110 10.786 -10.853 -2.876 1.00 0.00 H new ATOM 0 HD12 ILE A 110 11.456 -10.238 -1.346 1.00 0.00 H new ATOM 0 HD13 ILE A 110 11.764 -11.920 -1.840 1.00 0.00 H new ATOM 1725 N GLU A 111 9.845 -12.131 3.260 1.00 0.00 N ATOM 1726 CA GLU A 111 10.133 -12.727 4.559 1.00 0.00 C ATOM 1727 C GLU A 111 8.849 -12.938 5.357 1.00 0.00 C ATOM 1728 O GLU A 111 8.760 -13.852 6.176 1.00 0.00 O ATOM 1729 CB GLU A 111 11.097 -11.840 5.349 1.00 0.00 C ATOM 1730 CG GLU A 111 10.455 -10.573 5.890 1.00 0.00 C ATOM 1731 CD GLU A 111 11.120 -10.078 7.159 1.00 0.00 C ATOM 1732 OE1 GLU A 111 11.380 -10.908 8.055 1.00 0.00 O ATOM 1733 OE2 GLU A 111 11.380 -8.860 7.257 1.00 0.00 O ATOM 0 H GLU A 111 10.420 -11.320 3.031 1.00 0.00 H new ATOM 0 HA GLU A 111 10.599 -13.698 4.390 1.00 0.00 H new ATOM 0 HB2 GLU A 111 11.506 -12.414 6.181 1.00 0.00 H new ATOM 0 HB3 GLU A 111 11.935 -11.567 4.707 1.00 0.00 H new ATOM 0 HG2 GLU A 111 10.504 -9.793 5.131 1.00 0.00 H new ATOM 0 HG3 GLU A 111 9.399 -10.761 6.087 1.00 0.00 H new ATOM 1740 N GLN A 112 7.859 -12.086 5.111 1.00 0.00 N ATOM 1741 CA GLN A 112 6.582 -12.179 5.807 1.00 0.00 C ATOM 1742 C GLN A 112 5.811 -13.420 5.368 1.00 0.00 C ATOM 1743 O GLN A 112 5.453 -14.264 6.189 1.00 0.00 O ATOM 1744 CB GLN A 112 5.743 -10.926 5.548 1.00 0.00 C ATOM 1745 CG GLN A 112 6.341 -9.661 6.141 1.00 0.00 C ATOM 1746 CD GLN A 112 6.632 -9.792 7.623 1.00 0.00 C ATOM 1747 OE1 GLN A 112 7.880 -9.547 8.006 1.00 0.00 O flip ATOM 1748 NE2 GLN A 112 5.745 -10.111 8.416 1.00 0.00 N flip ATOM 0 H GLN A 112 7.917 -11.324 4.435 1.00 0.00 H new ATOM 0 HA GLN A 112 6.785 -12.258 6.875 1.00 0.00 H new ATOM 0 HB2 GLN A 112 5.626 -10.793 4.472 1.00 0.00 H new ATOM 0 HB3 GLN A 112 4.745 -11.075 5.961 1.00 0.00 H new ATOM 0 HG2 GLN A 112 7.263 -9.418 5.614 1.00 0.00 H new ATOM 0 HG3 GLN A 112 5.654 -8.830 5.982 1.00 0.00 H new ATOM 0 HE21 GLN A 112 4.799 -10.290 8.078 1.00 0.00 H new ATOM 0 HE22 GLN A 112 5.956 -10.196 9.410 1.00 0.00 H new ATOM 1757 N SER A 113 5.559 -13.525 4.067 1.00 0.00 N ATOM 1758 CA SER A 113 4.827 -14.661 3.519 1.00 0.00 C ATOM 1759 C SER A 113 5.258 -15.960 4.192 1.00 0.00 C ATOM 1760 O SER A 113 4.440 -16.844 4.443 1.00 0.00 O ATOM 1761 CB SER A 113 5.050 -14.757 2.008 1.00 0.00 C ATOM 1762 OG SER A 113 6.288 -15.381 1.714 1.00 0.00 O ATOM 0 H SER A 113 5.851 -12.837 3.373 1.00 0.00 H new ATOM 0 HA SER A 113 3.766 -14.506 3.713 1.00 0.00 H new ATOM 0 HB2 SER A 113 4.237 -15.322 1.552 1.00 0.00 H new ATOM 0 HB3 SER A 113 5.029 -13.759 1.570 1.00 0.00 H new ATOM 0 HG SER A 113 7.022 -14.822 2.044 1.00 0.00 H new