USER MOD reduce.3.24.130724 H: found=0, std=0, add=393, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 385 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 39 CYS SG : rot -73:sc= 1.05 USER MOD Set 1.2: A 51 CYS SG : rot 81:sc= 1.53 USER MOD Set 2.1: A 40 ASN :FLIP amide:sc= -0.979 F(o=-2.1!,f=-0.89) USER MOD Set 2.2: A 48 THR OG1 : rot 95:sc= 0.0904 USER MOD Set 3.1: A 13 CYS SG : rot 97:sc= -0.586 USER MOD Set 3.2: A 25 CYS SG : rot 80:sc= 1.26 USER MOD Set 3.3: A 38 CYS SG : rot -93:sc= 1.09 USER MOD Set 3.4: A 42 CYS SG : rot 82:sc= 0.298 USER MOD Set 4.1: A 27 ASN : amide:sc= 0.749 K(o=3.7,f=2.1) USER MOD Set 4.2: A 34 CYS SG : rot -159:sc= 2 USER MOD Set 4.3: A 60 CYS SG : rot 110:sc= 0.986 USER MOD Set 5.1: A 15 TYR OH : rot -107:sc= 0.117 USER MOD Set 5.2: A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 HIS :FLIP no HE2:sc= -0.531 F(o=-1.2,f=-0.53) USER MOD Single : A 10 ASN :FLIP amide:sc= -0.332 F(o=-2.1!,f=-0.33) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.00527 USER MOD Single : A 12 ASN : amide:sc= -1.49 K(o=-1.5,f=-8.5!) USER MOD Single : A 16 THR OG1 : rot 57:sc= 0.159 USER MOD Single : A 17 ASN : amide:sc= -0.13 X(o=-0.13,f=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0.00298 USER MOD Single : A 19 GLN : amide:sc= 1.18 K(o=1.2,f=-0.017) USER MOD Single : A 26 THR OG1 : rot -76:sc= 1.06 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= 0.553 K(o=0.55,f=-4!) USER MOD Single : A 32 SER OG : rot 76:sc= 0.476 USER MOD Single : A 33 SER OG : rot -49:sc= 0.0227 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -0.0546 K(o=-0.055,f=-1) USER MOD Single : A 58 ASN : amide:sc= 0.885 K(o=0.88,f=0) USER MOD Single : A 59 SER OG : rot -161:sc= 1.27 USER MOD Single : A 62 ASN : amide:sc=-0.00466 X(o=-0.0047,f=-0.0047) USER MOD ----------------------------------------------------------------- ATOM 15 N ASP A 2 -7.930 0.209 9.071 1.00 0.00 N ATOM 16 CA ASP A 2 -8.272 0.450 7.681 1.00 0.00 C ATOM 17 C ASP A 2 -7.352 1.523 7.102 1.00 0.00 C ATOM 18 O ASP A 2 -6.727 2.255 7.863 1.00 0.00 O ATOM 19 CB ASP A 2 -9.737 0.870 7.656 1.00 0.00 C ATOM 20 CG ASP A 2 -10.607 -0.364 7.901 1.00 0.00 C ATOM 21 OD1 ASP A 2 -10.705 -1.225 6.987 1.00 0.00 O ATOM 22 OD2 ASP A 2 -11.145 -0.555 9.010 1.00 0.00 O ATOM 0 HA ASP A 2 -8.137 -0.439 7.065 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -9.927 1.624 8.420 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -9.984 1.321 6.695 1.00 0.00 H new ATOM 27 N PRO A 3 -7.235 1.643 5.772 1.00 0.00 N ATOM 28 CA PRO A 3 -6.368 2.640 5.154 1.00 0.00 C ATOM 29 C PRO A 3 -6.896 4.066 5.301 1.00 0.00 C ATOM 30 O PRO A 3 -6.122 5.016 5.220 1.00 0.00 O ATOM 31 CB PRO A 3 -6.283 2.252 3.680 1.00 0.00 C ATOM 32 CG PRO A 3 -7.464 1.316 3.421 1.00 0.00 C ATOM 33 CD PRO A 3 -7.856 0.777 4.788 1.00 0.00 C ATOM 0 HA PRO A 3 -5.395 2.645 5.645 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -6.336 3.133 3.041 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -5.337 1.756 3.461 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -8.293 1.849 2.956 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -7.185 0.508 2.745 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -8.940 0.772 4.906 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -7.518 -0.252 4.910 1.00 0.00 H new ATOM 41 N GLU A 4 -8.205 4.207 5.494 1.00 0.00 N ATOM 42 CA GLU A 4 -8.917 5.469 5.353 1.00 0.00 C ATOM 43 C GLU A 4 -8.294 6.579 6.201 1.00 0.00 C ATOM 44 O GLU A 4 -8.009 7.660 5.681 1.00 0.00 O ATOM 45 CB GLU A 4 -10.387 5.240 5.706 1.00 0.00 C ATOM 46 CG GLU A 4 -11.224 6.520 5.540 1.00 0.00 C ATOM 47 CD GLU A 4 -12.705 6.247 5.265 1.00 0.00 C ATOM 48 OE1 GLU A 4 -13.281 5.309 5.857 1.00 0.00 O ATOM 49 OE2 GLU A 4 -13.312 6.958 4.420 1.00 0.00 O ATOM 0 H GLU A 4 -8.810 3.430 5.758 1.00 0.00 H new ATOM 0 HA GLU A 4 -8.841 5.810 4.320 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -10.795 4.455 5.070 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -10.463 4.888 6.735 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -11.135 7.123 6.444 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -10.813 7.110 4.721 1.00 0.00 H new ATOM 56 N GLU A 5 -8.050 6.309 7.486 1.00 0.00 N ATOM 57 CA GLU A 5 -7.609 7.321 8.442 1.00 0.00 C ATOM 58 C GLU A 5 -6.078 7.462 8.502 1.00 0.00 C ATOM 59 O GLU A 5 -5.553 8.214 9.325 1.00 0.00 O ATOM 60 CB GLU A 5 -8.314 7.111 9.800 1.00 0.00 C ATOM 61 CG GLU A 5 -7.760 6.041 10.740 1.00 0.00 C ATOM 62 CD GLU A 5 -8.518 5.891 12.068 1.00 0.00 C ATOM 63 OE1 GLU A 5 -9.038 6.883 12.626 1.00 0.00 O ATOM 64 OE2 GLU A 5 -8.548 4.757 12.614 1.00 0.00 O ATOM 0 H GLU A 5 -8.154 5.379 7.891 1.00 0.00 H new ATOM 0 HA GLU A 5 -7.924 8.304 8.091 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -8.302 8.062 10.333 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -9.358 6.871 9.600 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -7.771 5.082 10.222 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -6.718 6.274 10.958 1.00 0.00 H new ATOM 71 N HIS A 6 -5.341 6.778 7.625 1.00 0.00 N ATOM 72 CA HIS A 6 -3.908 6.562 7.701 1.00 0.00 C ATOM 73 C HIS A 6 -3.220 6.983 6.404 1.00 0.00 C ATOM 74 O HIS A 6 -3.388 6.344 5.363 1.00 0.00 O ATOM 75 CB HIS A 6 -3.661 5.081 7.981 1.00 0.00 C ATOM 76 CG HIS A 6 -4.094 4.658 9.357 1.00 0.00 C ATOM 77 ND1 HIS A 6 -5.340 4.232 9.745 1.00 0.00 N flip ATOM 78 CD2 HIS A 6 -3.304 4.747 10.478 1.00 0.00 C flip ATOM 79 CE1 HIS A 6 -5.263 3.975 11.123 1.00 0.00 C flip ATOM 80 NE2 HIS A 6 -4.034 4.344 11.525 1.00 0.00 N flip ATOM 0 H HIS A 6 -5.756 6.340 6.803 1.00 0.00 H new ATOM 0 HA HIS A 6 -3.489 7.170 8.503 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -4.193 4.484 7.240 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -2.599 4.867 7.860 1.00 0.00 H new ATOM 0 HD1 HIS A 6 -6.161 4.123 9.149 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -2.278 5.082 10.509 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -6.043 3.559 11.743 1.00 0.00 H new ATOM 88 N PHE A 7 -2.416 8.038 6.471 1.00 0.00 N ATOM 89 CA PHE A 7 -1.499 8.471 5.418 1.00 0.00 C ATOM 90 C PHE A 7 -0.196 8.887 6.085 1.00 0.00 C ATOM 91 O PHE A 7 -0.247 9.640 7.067 1.00 0.00 O ATOM 92 CB PHE A 7 -2.087 9.655 4.622 1.00 0.00 C ATOM 93 CG PHE A 7 -2.226 9.451 3.122 1.00 0.00 C ATOM 94 CD1 PHE A 7 -1.101 9.152 2.326 1.00 0.00 C ATOM 95 CD2 PHE A 7 -3.482 9.602 2.503 1.00 0.00 C ATOM 96 CE1 PHE A 7 -1.230 9.006 0.936 1.00 0.00 C ATOM 97 CE2 PHE A 7 -3.614 9.424 1.115 1.00 0.00 C ATOM 98 CZ PHE A 7 -2.494 9.103 0.337 1.00 0.00 C ATOM 0 H PHE A 7 -2.382 8.641 7.293 1.00 0.00 H new ATOM 0 HA PHE A 7 -1.332 7.656 4.714 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -3.071 9.887 5.029 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -1.458 10.529 4.792 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -0.133 9.034 2.790 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -4.347 9.856 3.097 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -0.357 8.819 0.329 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -4.581 9.535 0.647 1.00 0.00 H new ATOM 0 HZ PHE A 7 -2.604 8.930 -0.723 1.00 0.00 H new ATOM 108 N ASP A 8 0.943 8.449 5.546 1.00 0.00 N ATOM 109 CA ASP A 8 2.237 9.086 5.790 1.00 0.00 C ATOM 110 C ASP A 8 3.124 8.940 4.537 1.00 0.00 C ATOM 111 O ASP A 8 3.951 8.034 4.480 1.00 0.00 O ATOM 112 CB ASP A 8 2.908 8.574 7.081 1.00 0.00 C ATOM 113 CG ASP A 8 4.002 9.569 7.477 1.00 0.00 C ATOM 114 OD1 ASP A 8 3.655 10.705 7.866 1.00 0.00 O ATOM 115 OD2 ASP A 8 5.217 9.268 7.343 1.00 0.00 O ATOM 0 H ASP A 8 0.994 7.640 4.926 1.00 0.00 H new ATOM 0 HA ASP A 8 2.082 10.150 5.966 1.00 0.00 H new ATOM 0 HB2 ASP A 8 2.173 8.479 7.880 1.00 0.00 H new ATOM 0 HB3 ASP A 8 3.334 7.584 6.921 1.00 0.00 H new ATOM 120 N PRO A 9 2.894 9.743 3.476 1.00 0.00 N ATOM 121 CA PRO A 9 3.607 9.629 2.210 1.00 0.00 C ATOM 122 C PRO A 9 4.996 10.257 2.236 1.00 0.00 C ATOM 123 O PRO A 9 5.123 11.472 2.431 1.00 0.00 O ATOM 124 CB PRO A 9 2.750 10.341 1.167 1.00 0.00 C ATOM 125 CG PRO A 9 1.773 11.220 1.944 1.00 0.00 C ATOM 126 CD PRO A 9 1.921 10.817 3.412 1.00 0.00 C ATOM 0 HA PRO A 9 3.761 8.573 1.987 1.00 0.00 H new ATOM 0 HB2 PRO A 9 3.368 10.942 0.500 1.00 0.00 H new ATOM 0 HB3 PRO A 9 2.217 9.622 0.545 1.00 0.00 H new ATOM 0 HG2 PRO A 9 2.002 12.276 1.804 1.00 0.00 H new ATOM 0 HG3 PRO A 9 0.751 11.067 1.598 1.00 0.00 H new ATOM 0 HD2 PRO A 9 2.249 11.667 4.011 1.00 0.00 H new ATOM 0 HD3 PRO A 9 0.963 10.491 3.818 1.00 0.00 H new ATOM 134 N ASN A 10 6.012 9.444 1.938 1.00 0.00 N ATOM 135 CA ASN A 10 7.340 9.912 1.539 1.00 0.00 C ATOM 136 C ASN A 10 7.312 10.270 0.043 1.00 0.00 C ATOM 137 O ASN A 10 6.298 10.059 -0.625 1.00 0.00 O ATOM 138 CB ASN A 10 8.399 8.832 1.820 1.00 0.00 C ATOM 139 CG ASN A 10 8.322 8.255 3.231 1.00 0.00 C ATOM 140 OD1 ASN A 10 8.539 6.961 3.369 1.00 0.00 O flip ATOM 141 ND2 ASN A 10 8.079 8.970 4.201 1.00 0.00 N flip ATOM 0 H ASN A 10 5.933 8.427 1.968 1.00 0.00 H new ATOM 0 HA ASN A 10 7.606 10.796 2.118 1.00 0.00 H new ATOM 0 HB2 ASN A 10 8.282 8.023 1.099 1.00 0.00 H new ATOM 0 HB3 ASN A 10 9.390 9.257 1.664 1.00 0.00 H new ATOM 0 HD21 ASN A 10 7.914 9.968 4.070 1.00 0.00 H new ATOM 0 HD22 ASN A 10 8.042 8.565 5.136 1.00 0.00 H new ATOM 148 N THR A 11 8.413 10.783 -0.518 1.00 0.00 N ATOM 149 CA THR A 11 8.433 11.406 -1.854 1.00 0.00 C ATOM 150 C THR A 11 8.249 10.416 -3.022 1.00 0.00 C ATOM 151 O THR A 11 8.117 10.811 -4.183 1.00 0.00 O ATOM 152 CB THR A 11 9.715 12.238 -2.016 1.00 0.00 C ATOM 153 OG1 THR A 11 10.882 11.519 -1.653 1.00 0.00 O ATOM 154 CG2 THR A 11 9.680 13.476 -1.116 1.00 0.00 C ATOM 0 H THR A 11 9.323 10.779 -0.058 1.00 0.00 H new ATOM 0 HA THR A 11 7.560 12.057 -1.908 1.00 0.00 H new ATOM 0 HB THR A 11 9.753 12.505 -3.072 1.00 0.00 H new ATOM 0 HG1 THR A 11 11.669 12.090 -1.775 1.00 0.00 H new ATOM 0 HG21 THR A 11 10.598 14.048 -1.249 1.00 0.00 H new ATOM 0 HG22 THR A 11 8.824 14.096 -1.383 1.00 0.00 H new ATOM 0 HG23 THR A 11 9.593 13.166 -0.075 1.00 0.00 H new ATOM 162 N ASN A 12 8.227 9.110 -2.754 1.00 0.00 N ATOM 163 CA ASN A 12 7.899 8.080 -3.732 1.00 0.00 C ATOM 164 C ASN A 12 6.389 7.833 -3.787 1.00 0.00 C ATOM 165 O ASN A 12 5.933 7.325 -4.818 1.00 0.00 O ATOM 166 CB ASN A 12 8.624 6.764 -3.406 1.00 0.00 C ATOM 167 CG ASN A 12 8.113 6.171 -2.103 1.00 0.00 C ATOM 168 OD1 ASN A 12 7.982 6.893 -1.126 1.00 0.00 O ATOM 169 ND2 ASN A 12 7.811 4.886 -2.045 1.00 0.00 N ATOM 0 H ASN A 12 8.442 8.734 -1.831 1.00 0.00 H new ATOM 0 HA ASN A 12 8.232 8.437 -4.706 1.00 0.00 H new ATOM 0 HB2 ASN A 12 8.475 6.052 -4.217 1.00 0.00 H new ATOM 0 HB3 ASN A 12 9.697 6.944 -3.332 1.00 0.00 H new ATOM 0 HD21 ASN A 12 7.463 4.483 -1.175 1.00 0.00 H new ATOM 0 HD22 ASN A 12 7.926 4.297 -2.870 1.00 0.00 H new ATOM 176 N CYS A 13 5.614 8.155 -2.737 1.00 0.00 N ATOM 177 CA CYS A 13 4.172 8.250 -2.823 1.00 0.00 C ATOM 178 C CYS A 13 3.769 9.545 -3.541 1.00 0.00 C ATOM 179 O CYS A 13 3.656 10.614 -2.935 1.00 0.00 O ATOM 180 CB CYS A 13 3.561 8.181 -1.434 1.00 0.00 C ATOM 181 SG CYS A 13 1.755 7.981 -1.513 1.00 0.00 S ATOM 0 H CYS A 13 5.985 8.355 -1.808 1.00 0.00 H new ATOM 0 HA CYS A 13 3.792 7.409 -3.403 1.00 0.00 H new ATOM 0 HB2 CYS A 13 3.997 7.347 -0.884 1.00 0.00 H new ATOM 0 HB3 CYS A 13 3.804 9.089 -0.882 1.00 0.00 H new ATOM 0 HG CYS A 13 1.452 6.722 -1.394 1.00 0.00 H new ATOM 186 N ASP A 14 3.515 9.432 -4.843 1.00 0.00 N ATOM 187 CA ASP A 14 2.871 10.462 -5.649 1.00 0.00 C ATOM 188 C ASP A 14 1.395 10.575 -5.263 1.00 0.00 C ATOM 189 O ASP A 14 0.798 11.650 -5.335 1.00 0.00 O ATOM 190 CB ASP A 14 2.860 10.049 -7.129 1.00 0.00 C ATOM 191 CG ASP A 14 4.124 10.290 -7.952 1.00 0.00 C ATOM 192 OD1 ASP A 14 5.265 10.159 -7.460 1.00 0.00 O ATOM 193 OD2 ASP A 14 3.945 10.436 -9.190 1.00 0.00 O ATOM 0 H ASP A 14 3.759 8.599 -5.379 1.00 0.00 H new ATOM 0 HA ASP A 14 3.417 11.391 -5.486 1.00 0.00 H new ATOM 0 HB2 ASP A 14 2.629 8.985 -7.177 1.00 0.00 H new ATOM 0 HB3 ASP A 14 2.039 10.576 -7.616 1.00 0.00 H new ATOM 198 N TYR A 15 0.751 9.433 -5.003 1.00 0.00 N ATOM 199 CA TYR A 15 -0.700 9.339 -4.983 1.00 0.00 C ATOM 200 C TYR A 15 -1.218 9.811 -3.637 1.00 0.00 C ATOM 201 O TYR A 15 -1.072 9.119 -2.633 1.00 0.00 O ATOM 202 CB TYR A 15 -1.139 7.903 -5.243 1.00 0.00 C ATOM 203 CG TYR A 15 -0.750 7.416 -6.615 1.00 0.00 C ATOM 204 CD1 TYR A 15 -1.498 7.792 -7.740 1.00 0.00 C ATOM 205 CD2 TYR A 15 0.376 6.593 -6.754 1.00 0.00 C ATOM 206 CE1 TYR A 15 -1.084 7.380 -9.018 1.00 0.00 C ATOM 207 CE2 TYR A 15 0.751 6.111 -8.023 1.00 0.00 C ATOM 208 CZ TYR A 15 0.042 6.541 -9.172 1.00 0.00 C ATOM 209 OH TYR A 15 0.426 6.168 -10.426 1.00 0.00 O ATOM 0 H TYR A 15 1.226 8.553 -4.802 1.00 0.00 H new ATOM 0 HA TYR A 15 -1.112 9.973 -5.769 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -0.696 7.250 -4.491 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -2.221 7.832 -5.130 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -2.387 8.395 -7.625 1.00 0.00 H new ATOM 0 HD2 TYR A 15 0.959 6.327 -5.884 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -1.631 7.707 -9.890 1.00 0.00 H new ATOM 0 HE2 TYR A 15 1.574 5.418 -8.120 1.00 0.00 H new ATOM 0 HH TYR A 15 0.198 5.226 -10.571 1.00 0.00 H new ATOM 219 N THR A 16 -1.945 10.922 -3.630 1.00 0.00 N ATOM 220 CA THR A 16 -2.521 11.481 -2.416 1.00 0.00 C ATOM 221 C THR A 16 -4.009 11.123 -2.366 1.00 0.00 C ATOM 222 O THR A 16 -4.847 11.973 -2.056 1.00 0.00 O ATOM 223 CB THR A 16 -2.219 12.981 -2.294 1.00 0.00 C ATOM 224 OG1 THR A 16 -2.982 13.730 -3.226 1.00 0.00 O ATOM 225 CG2 THR A 16 -0.733 13.309 -2.471 1.00 0.00 C ATOM 0 H THR A 16 -2.152 11.462 -4.471 1.00 0.00 H new ATOM 0 HA THR A 16 -2.057 11.042 -1.533 1.00 0.00 H new ATOM 0 HB THR A 16 -2.499 13.261 -1.279 1.00 0.00 H new ATOM 0 HG1 THR A 16 -3.935 13.547 -3.091 1.00 0.00 H new ATOM 0 HG21 THR A 16 -0.584 14.384 -2.374 1.00 0.00 H new ATOM 0 HG22 THR A 16 -0.153 12.792 -1.707 1.00 0.00 H new ATOM 0 HG23 THR A 16 -0.404 12.985 -3.458 1.00 0.00 H new ATOM 233 N ASN A 17 -4.356 9.895 -2.762 1.00 0.00 N ATOM 234 CA ASN A 17 -5.677 9.315 -2.534 1.00 0.00 C ATOM 235 C ASN A 17 -5.446 7.908 -2.017 1.00 0.00 C ATOM 236 O ASN A 17 -4.612 7.190 -2.574 1.00 0.00 O ATOM 237 CB ASN A 17 -6.582 9.221 -3.776 1.00 0.00 C ATOM 238 CG ASN A 17 -6.546 10.417 -4.707 1.00 0.00 C ATOM 239 OD1 ASN A 17 -7.493 11.189 -4.831 1.00 0.00 O ATOM 240 ND2 ASN A 17 -5.463 10.540 -5.443 1.00 0.00 N ATOM 0 H ASN A 17 -3.718 9.271 -3.255 1.00 0.00 H new ATOM 0 HA ASN A 17 -6.200 9.974 -1.841 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -6.299 8.334 -4.343 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -7.610 9.073 -3.444 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -5.398 11.288 -6.133 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -4.688 9.887 -5.323 1.00 0.00 H new ATOM 247 N SER A 18 -6.225 7.519 -1.015 1.00 0.00 N ATOM 248 CA SER A 18 -6.204 6.228 -0.341 1.00 0.00 C ATOM 249 C SER A 18 -6.275 5.089 -1.361 1.00 0.00 C ATOM 250 O SER A 18 -5.365 4.267 -1.414 1.00 0.00 O ATOM 251 CB SER A 18 -7.373 6.204 0.656 1.00 0.00 C ATOM 252 OG SER A 18 -8.576 6.617 0.019 1.00 0.00 O ATOM 0 H SER A 18 -6.935 8.139 -0.626 1.00 0.00 H new ATOM 0 HA SER A 18 -5.271 6.084 0.204 1.00 0.00 H new ATOM 0 HB2 SER A 18 -7.494 5.199 1.060 1.00 0.00 H new ATOM 0 HB3 SER A 18 -7.155 6.862 1.498 1.00 0.00 H new ATOM 0 HG SER A 18 -9.312 6.595 0.665 1.00 0.00 H new ATOM 258 N GLN A 19 -7.343 5.037 -2.168 1.00 0.00 N ATOM 259 CA GLN A 19 -7.635 3.935 -3.081 1.00 0.00 C ATOM 260 C GLN A 19 -6.498 3.732 -4.086 1.00 0.00 C ATOM 261 O GLN A 19 -6.010 2.619 -4.215 1.00 0.00 O ATOM 262 CB GLN A 19 -8.981 4.173 -3.789 1.00 0.00 C ATOM 263 CG GLN A 19 -9.473 2.998 -4.653 1.00 0.00 C ATOM 264 CD GLN A 19 -10.137 1.884 -3.842 1.00 0.00 C ATOM 265 OE1 GLN A 19 -11.268 2.040 -3.386 1.00 0.00 O ATOM 266 NE2 GLN A 19 -9.503 0.733 -3.700 1.00 0.00 N ATOM 0 H GLN A 19 -8.041 5.780 -2.201 1.00 0.00 H new ATOM 0 HA GLN A 19 -7.716 3.016 -2.500 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -9.738 4.394 -3.036 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -8.892 5.057 -4.420 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -10.182 3.372 -5.392 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -8.629 2.583 -5.203 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -8.565 0.617 -4.083 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -9.952 -0.039 -3.207 1.00 0.00 H new ATOM 275 N ASP A 20 -6.079 4.763 -4.830 1.00 0.00 N ATOM 276 CA ASP A 20 -5.102 4.580 -5.910 1.00 0.00 C ATOM 277 C ASP A 20 -3.735 4.208 -5.359 1.00 0.00 C ATOM 278 O ASP A 20 -3.101 3.295 -5.881 1.00 0.00 O ATOM 279 CB ASP A 20 -5.018 5.830 -6.793 1.00 0.00 C ATOM 280 CG ASP A 20 -6.075 5.755 -7.896 1.00 0.00 C ATOM 281 OD1 ASP A 20 -6.036 4.819 -8.725 1.00 0.00 O ATOM 282 OD2 ASP A 20 -7.043 6.559 -7.863 1.00 0.00 O ATOM 0 H ASP A 20 -6.398 5.724 -4.706 1.00 0.00 H new ATOM 0 HA ASP A 20 -5.445 3.753 -6.531 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -5.172 6.724 -6.189 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -4.024 5.910 -7.233 1.00 0.00 H new ATOM 287 N ALA A 21 -3.263 4.868 -4.302 1.00 0.00 N ATOM 288 CA ALA A 21 -2.058 4.438 -3.608 1.00 0.00 C ATOM 289 C ALA A 21 -2.173 2.976 -3.157 1.00 0.00 C ATOM 290 O ALA A 21 -1.334 2.156 -3.539 1.00 0.00 O ATOM 291 CB ALA A 21 -1.758 5.382 -2.463 1.00 0.00 C ATOM 0 H ALA A 21 -3.700 5.702 -3.910 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.213 4.479 -4.295 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.855 5.054 -1.948 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.609 6.389 -2.852 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.594 5.383 -1.764 1.00 0.00 H new ATOM 297 N TRP A 22 -3.218 2.639 -2.390 1.00 0.00 N ATOM 298 CA TRP A 22 -3.478 1.305 -1.858 1.00 0.00 C ATOM 299 C TRP A 22 -3.449 0.279 -2.991 1.00 0.00 C ATOM 300 O TRP A 22 -2.727 -0.709 -2.913 1.00 0.00 O ATOM 301 CB TRP A 22 -4.840 1.296 -1.146 1.00 0.00 C ATOM 302 CG TRP A 22 -5.370 -0.011 -0.639 1.00 0.00 C ATOM 303 CD1 TRP A 22 -6.158 -0.867 -1.331 1.00 0.00 C ATOM 304 CD2 TRP A 22 -5.264 -0.561 0.705 1.00 0.00 C ATOM 305 NE1 TRP A 22 -6.561 -1.893 -0.498 1.00 0.00 N ATOM 306 CE2 TRP A 22 -6.030 -1.760 0.771 1.00 0.00 C ATOM 307 CE3 TRP A 22 -4.641 -0.129 1.892 1.00 0.00 C ATOM 308 CZ2 TRP A 22 -6.143 -2.503 1.958 1.00 0.00 C ATOM 309 CZ3 TRP A 22 -4.787 -0.836 3.100 1.00 0.00 C ATOM 310 CH2 TRP A 22 -5.508 -2.035 3.121 1.00 0.00 C ATOM 0 H TRP A 22 -3.929 3.317 -2.116 1.00 0.00 H new ATOM 0 HA TRP A 22 -2.705 1.039 -1.137 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -4.777 1.980 -0.299 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -5.577 1.709 -1.834 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -6.429 -0.764 -2.371 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -7.175 -2.655 -0.785 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -4.037 0.766 1.875 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -6.710 -3.422 1.976 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -4.344 -0.454 4.008 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -5.577 -2.604 4.036 1.00 0.00 H new ATOM 321 N ASP A 23 -4.210 0.481 -4.063 1.00 0.00 N ATOM 322 CA ASP A 23 -4.412 -0.488 -5.135 1.00 0.00 C ATOM 323 C ASP A 23 -3.057 -0.929 -5.686 1.00 0.00 C ATOM 324 O ASP A 23 -2.718 -2.114 -5.667 1.00 0.00 O ATOM 325 CB ASP A 23 -5.284 0.111 -6.252 1.00 0.00 C ATOM 326 CG ASP A 23 -6.783 0.170 -5.930 1.00 0.00 C ATOM 327 OD1 ASP A 23 -7.216 -0.290 -4.853 1.00 0.00 O ATOM 328 OD2 ASP A 23 -7.536 0.706 -6.780 1.00 0.00 O ATOM 0 H ASP A 23 -4.719 1.352 -4.214 1.00 0.00 H new ATOM 0 HA ASP A 23 -4.933 -1.358 -4.735 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -4.932 1.120 -6.468 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.144 -0.477 -7.159 1.00 0.00 H new ATOM 333 N TYR A 24 -2.238 0.022 -6.119 1.00 0.00 N ATOM 334 CA TYR A 24 -0.926 -0.262 -6.668 1.00 0.00 C ATOM 335 C TYR A 24 -0.032 -0.896 -5.580 1.00 0.00 C ATOM 336 O TYR A 24 0.552 -1.952 -5.826 1.00 0.00 O ATOM 337 CB TYR A 24 -0.341 1.041 -7.204 1.00 0.00 C ATOM 338 CG TYR A 24 -0.941 1.693 -8.458 1.00 0.00 C ATOM 339 CD1 TYR A 24 -2.290 2.117 -8.534 1.00 0.00 C ATOM 340 CD2 TYR A 24 -0.075 2.015 -9.524 1.00 0.00 C ATOM 341 CE1 TYR A 24 -2.743 2.894 -9.616 1.00 0.00 C ATOM 342 CE2 TYR A 24 -0.531 2.754 -10.631 1.00 0.00 C ATOM 343 CZ TYR A 24 -1.862 3.221 -10.670 1.00 0.00 C ATOM 344 OH TYR A 24 -2.290 3.992 -11.710 1.00 0.00 O ATOM 0 H TYR A 24 -2.470 1.015 -6.097 1.00 0.00 H new ATOM 0 HA TYR A 24 -0.991 -0.978 -7.487 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -0.394 1.775 -6.400 1.00 0.00 H new ATOM 0 HB3 TYR A 24 0.716 0.864 -7.405 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -2.980 1.840 -7.751 1.00 0.00 H new ATOM 0 HD2 TYR A 24 0.954 1.689 -9.490 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -3.766 3.241 -9.640 1.00 0.00 H new ATOM 0 HE2 TYR A 24 0.139 2.964 -11.452 1.00 0.00 H new ATOM 0 HH TYR A 24 -1.555 4.121 -12.346 1.00 0.00 H new ATOM 354 N CYS A 25 0.018 -0.336 -4.357 1.00 0.00 N ATOM 355 CA CYS A 25 0.828 -0.860 -3.244 1.00 0.00 C ATOM 356 C CYS A 25 0.528 -2.336 -2.956 1.00 0.00 C ATOM 357 O CYS A 25 1.419 -3.105 -2.586 1.00 0.00 O ATOM 358 CB CYS A 25 0.556 -0.079 -1.948 1.00 0.00 C ATOM 359 SG CYS A 25 1.178 1.617 -1.846 1.00 0.00 S ATOM 0 H CYS A 25 -0.509 0.502 -4.112 1.00 0.00 H new ATOM 0 HA CYS A 25 1.867 -0.749 -3.554 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -0.522 -0.051 -1.793 1.00 0.00 H new ATOM 0 HB3 CYS A 25 0.983 -0.644 -1.119 1.00 0.00 H new ATOM 0 HG CYS A 25 0.368 2.415 -2.476 1.00 0.00 H new ATOM 364 N THR A 26 -0.733 -2.729 -3.103 1.00 0.00 N ATOM 365 CA THR A 26 -1.272 -4.037 -2.763 1.00 0.00 C ATOM 366 C THR A 26 -1.139 -5.014 -3.951 1.00 0.00 C ATOM 367 O THR A 26 -1.615 -6.147 -3.888 1.00 0.00 O ATOM 368 CB THR A 26 -2.661 -3.844 -2.135 1.00 0.00 C ATOM 369 OG1 THR A 26 -3.641 -3.322 -3.010 1.00 0.00 O ATOM 370 CG2 THR A 26 -2.569 -2.949 -0.893 1.00 0.00 C ATOM 0 H THR A 26 -1.445 -2.106 -3.484 1.00 0.00 H new ATOM 0 HA THR A 26 -0.692 -4.545 -1.992 1.00 0.00 H new ATOM 0 HB THR A 26 -2.990 -4.849 -1.870 1.00 0.00 H new ATOM 0 HG1 THR A 26 -3.490 -2.362 -3.135 1.00 0.00 H new ATOM 0 HG21 THR A 26 -3.562 -2.823 -0.461 1.00 0.00 H new ATOM 0 HG22 THR A 26 -1.910 -3.412 -0.159 1.00 0.00 H new ATOM 0 HG23 THR A 26 -2.170 -1.975 -1.175 1.00 0.00 H new ATOM 378 N ASN A 27 -0.446 -4.604 -5.028 1.00 0.00 N ATOM 379 CA ASN A 27 -0.316 -5.283 -6.323 1.00 0.00 C ATOM 380 C ASN A 27 -1.673 -5.610 -6.949 1.00 0.00 C ATOM 381 O ASN A 27 -1.795 -6.562 -7.720 1.00 0.00 O ATOM 382 CB ASN A 27 0.595 -6.522 -6.246 1.00 0.00 C ATOM 383 CG ASN A 27 1.124 -6.892 -7.632 1.00 0.00 C ATOM 384 OD1 ASN A 27 1.821 -6.109 -8.266 1.00 0.00 O ATOM 385 ND2 ASN A 27 0.843 -8.081 -8.143 1.00 0.00 N ATOM 0 H ASN A 27 0.074 -3.727 -5.012 1.00 0.00 H new ATOM 0 HA ASN A 27 0.174 -4.574 -6.990 1.00 0.00 H new ATOM 0 HB2 ASN A 27 1.430 -6.324 -5.574 1.00 0.00 H new ATOM 0 HB3 ASN A 27 0.040 -7.362 -5.827 1.00 0.00 H new ATOM 0 HD21 ASN A 27 1.206 -8.341 -9.060 1.00 0.00 H new ATOM 0 HD22 ASN A 27 0.263 -8.737 -7.620 1.00 0.00 H new ATOM 392 N TYR A 28 -2.720 -4.875 -6.584 1.00 0.00 N ATOM 393 CA TYR A 28 -4.013 -4.942 -7.240 1.00 0.00 C ATOM 394 C TYR A 28 -3.810 -4.479 -8.680 1.00 0.00 C ATOM 395 O TYR A 28 -4.077 -5.210 -9.636 1.00 0.00 O ATOM 396 CB TYR A 28 -4.968 -4.032 -6.467 1.00 0.00 C ATOM 397 CG TYR A 28 -6.432 -4.111 -6.795 1.00 0.00 C ATOM 398 CD1 TYR A 28 -7.203 -5.220 -6.397 1.00 0.00 C ATOM 399 CD2 TYR A 28 -7.046 -2.987 -7.375 1.00 0.00 C ATOM 400 CE1 TYR A 28 -8.602 -5.165 -6.520 1.00 0.00 C ATOM 401 CE2 TYR A 28 -8.433 -2.931 -7.508 1.00 0.00 C ATOM 402 CZ TYR A 28 -9.218 -4.010 -7.055 1.00 0.00 C ATOM 403 OH TYR A 28 -10.569 -3.887 -7.056 1.00 0.00 O ATOM 0 H TYR A 28 -2.689 -4.208 -5.813 1.00 0.00 H new ATOM 0 HA TYR A 28 -4.437 -5.946 -7.255 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -4.851 -4.249 -5.405 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -4.646 -3.002 -6.620 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -6.724 -6.104 -6.001 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -6.440 -2.162 -7.720 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -9.206 -6.004 -6.206 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -8.902 -2.067 -7.955 1.00 0.00 H new ATOM 0 HH TYR A 28 -10.819 -3.030 -7.461 1.00 0.00 H new ATOM 413 N ILE A 29 -3.249 -3.274 -8.796 1.00 0.00 N ATOM 414 CA ILE A 29 -2.776 -2.660 -10.017 1.00 0.00 C ATOM 415 C ILE A 29 -1.283 -2.977 -10.063 1.00 0.00 C ATOM 416 O ILE A 29 -0.489 -2.455 -9.272 1.00 0.00 O ATOM 417 CB ILE A 29 -3.111 -1.155 -9.997 1.00 0.00 C ATOM 418 CG1 ILE A 29 -4.645 -0.943 -10.033 1.00 0.00 C ATOM 419 CG2 ILE A 29 -2.404 -0.409 -11.136 1.00 0.00 C ATOM 420 CD1 ILE A 29 -5.304 -1.061 -11.413 1.00 0.00 C ATOM 0 H ILE A 29 -3.109 -2.672 -7.985 1.00 0.00 H new ATOM 0 HA ILE A 29 -3.251 -3.037 -10.923 1.00 0.00 H new ATOM 0 HB ILE A 29 -2.737 -0.732 -9.064 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -5.109 -1.670 -9.367 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -4.866 0.045 -9.629 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -2.662 0.649 -11.093 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -1.325 -0.524 -11.032 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -2.722 -0.821 -12.094 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -6.377 -0.894 -11.319 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -4.878 -0.315 -12.084 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -5.125 -2.057 -11.817 1.00 0.00 H new ATOM 432 N VAL A 30 -0.912 -3.900 -10.944 1.00 0.00 N ATOM 433 CA VAL A 30 0.475 -4.244 -11.178 1.00 0.00 C ATOM 434 C VAL A 30 1.234 -3.009 -11.652 1.00 0.00 C ATOM 435 O VAL A 30 0.719 -2.234 -12.464 1.00 0.00 O ATOM 436 CB VAL A 30 0.558 -5.402 -12.181 1.00 0.00 C ATOM 437 CG1 VAL A 30 0.133 -6.661 -11.433 1.00 0.00 C ATOM 438 CG2 VAL A 30 -0.285 -5.238 -13.456 1.00 0.00 C ATOM 0 H VAL A 30 -1.571 -4.429 -11.515 1.00 0.00 H new ATOM 0 HA VAL A 30 0.943 -4.581 -10.253 1.00 0.00 H new ATOM 0 HB VAL A 30 1.584 -5.444 -12.548 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.176 -7.517 -12.107 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.805 -6.828 -10.591 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -0.886 -6.539 -11.065 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.153 -6.112 -14.094 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.337 -5.141 -13.187 1.00 0.00 H new ATOM 0 HG23 VAL A 30 0.036 -4.345 -13.992 1.00 0.00 H new ATOM 448 N ASN A 31 2.443 -2.822 -11.118 1.00 0.00 N ATOM 449 CA ASN A 31 3.239 -1.638 -11.420 1.00 0.00 C ATOM 450 C ASN A 31 4.738 -1.949 -11.529 1.00 0.00 C ATOM 451 O ASN A 31 5.242 -1.809 -12.635 1.00 0.00 O ATOM 452 CB ASN A 31 2.869 -0.475 -10.486 1.00 0.00 C ATOM 453 CG ASN A 31 3.159 -0.733 -9.019 1.00 0.00 C ATOM 454 OD1 ASN A 31 4.277 -0.529 -8.568 1.00 0.00 O ATOM 455 ND2 ASN A 31 2.200 -1.230 -8.260 1.00 0.00 N ATOM 0 H ASN A 31 2.889 -3.477 -10.475 1.00 0.00 H new ATOM 0 HA ASN A 31 2.983 -1.291 -12.421 1.00 0.00 H new ATOM 0 HB2 ASN A 31 3.414 0.415 -10.801 1.00 0.00 H new ATOM 0 HB3 ASN A 31 1.807 -0.256 -10.601 1.00 0.00 H new ATOM 0 HD21 ASN A 31 2.386 -1.450 -7.282 1.00 0.00 H new ATOM 0 HD22 ASN A 31 1.273 -1.394 -8.652 1.00 0.00 H new ATOM 462 N SER A 32 5.415 -2.399 -10.458 1.00 0.00 N ATOM 463 CA SER A 32 6.830 -2.828 -10.331 1.00 0.00 C ATOM 464 C SER A 32 7.469 -2.461 -8.976 1.00 0.00 C ATOM 465 O SER A 32 8.647 -2.764 -8.758 1.00 0.00 O ATOM 466 CB SER A 32 7.744 -2.357 -11.479 1.00 0.00 C ATOM 467 OG SER A 32 7.620 -3.235 -12.579 1.00 0.00 O ATOM 0 H SER A 32 4.938 -2.482 -9.560 1.00 0.00 H new ATOM 0 HA SER A 32 6.760 -3.914 -10.394 1.00 0.00 H new ATOM 0 HB2 SER A 32 7.475 -1.344 -11.778 1.00 0.00 H new ATOM 0 HB3 SER A 32 8.780 -2.325 -11.142 1.00 0.00 H new ATOM 0 HG SER A 32 6.772 -3.064 -13.040 1.00 0.00 H new ATOM 473 N SER A 33 6.721 -1.814 -8.075 1.00 0.00 N ATOM 474 CA SER A 33 7.221 -1.144 -6.879 1.00 0.00 C ATOM 475 C SER A 33 6.278 -1.394 -5.687 1.00 0.00 C ATOM 476 O SER A 33 6.115 -0.520 -4.838 1.00 0.00 O ATOM 477 CB SER A 33 7.311 0.344 -7.243 1.00 0.00 C ATOM 478 OG SER A 33 8.102 1.108 -6.352 1.00 0.00 O ATOM 0 H SER A 33 5.708 -1.743 -8.168 1.00 0.00 H new ATOM 0 HA SER A 33 8.196 -1.523 -6.571 1.00 0.00 H new ATOM 0 HB2 SER A 33 7.722 0.437 -8.248 1.00 0.00 H new ATOM 0 HB3 SER A 33 6.305 0.762 -7.269 1.00 0.00 H new ATOM 0 HG SER A 33 7.829 0.921 -5.430 1.00 0.00 H new ATOM 484 N CYS A 34 5.585 -2.536 -5.660 1.00 0.00 N ATOM 485 CA CYS A 34 4.644 -2.948 -4.615 1.00 0.00 C ATOM 486 C CYS A 34 5.323 -3.851 -3.557 1.00 0.00 C ATOM 487 O CYS A 34 6.511 -4.171 -3.670 1.00 0.00 O ATOM 488 CB CYS A 34 3.474 -3.654 -5.306 1.00 0.00 C ATOM 489 SG CYS A 34 3.976 -5.085 -6.283 1.00 0.00 S ATOM 0 H CYS A 34 5.669 -3.231 -6.402 1.00 0.00 H new ATOM 0 HA CYS A 34 4.283 -2.078 -4.067 1.00 0.00 H new ATOM 0 HB2 CYS A 34 2.755 -3.973 -4.551 1.00 0.00 H new ATOM 0 HB3 CYS A 34 2.962 -2.943 -5.954 1.00 0.00 H new ATOM 0 HG CYS A 34 3.057 -5.354 -7.162 1.00 0.00 H new ATOM 494 N GLY A 35 4.591 -4.291 -2.525 1.00 0.00 N ATOM 495 CA GLY A 35 5.112 -5.058 -1.394 1.00 0.00 C ATOM 496 C GLY A 35 5.161 -4.175 -0.150 1.00 0.00 C ATOM 497 O GLY A 35 4.578 -3.083 -0.160 1.00 0.00 O ATOM 0 H GLY A 35 3.589 -4.116 -2.455 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.480 -5.927 -1.210 1.00 0.00 H new ATOM 0 HA3 GLY A 35 6.109 -5.432 -1.625 1.00 0.00 H new ATOM 501 N GLU A 36 5.726 -4.645 0.967 1.00 0.00 N ATOM 502 CA GLU A 36 5.620 -3.936 2.241 1.00 0.00 C ATOM 503 C GLU A 36 6.216 -2.534 2.169 1.00 0.00 C ATOM 504 O GLU A 36 5.637 -1.614 2.733 1.00 0.00 O ATOM 505 CB GLU A 36 6.219 -4.746 3.385 1.00 0.00 C ATOM 506 CG GLU A 36 7.728 -5.000 3.340 1.00 0.00 C ATOM 507 CD GLU A 36 8.129 -5.774 4.600 1.00 0.00 C ATOM 508 OE1 GLU A 36 7.596 -6.878 4.827 1.00 0.00 O ATOM 509 OE2 GLU A 36 8.893 -5.208 5.425 1.00 0.00 O ATOM 0 H GLU A 36 6.260 -5.513 1.012 1.00 0.00 H new ATOM 0 HA GLU A 36 4.557 -3.815 2.450 1.00 0.00 H new ATOM 0 HB2 GLU A 36 5.989 -4.234 4.319 1.00 0.00 H new ATOM 0 HB3 GLU A 36 5.714 -5.711 3.418 1.00 0.00 H new ATOM 0 HG2 GLU A 36 7.990 -5.568 2.447 1.00 0.00 H new ATOM 0 HG3 GLU A 36 8.270 -4.056 3.287 1.00 0.00 H new ATOM 516 N ILE A 37 7.305 -2.374 1.415 1.00 0.00 N ATOM 517 CA ILE A 37 8.025 -1.125 1.158 1.00 0.00 C ATOM 518 C ILE A 37 7.055 0.001 0.801 1.00 0.00 C ATOM 519 O ILE A 37 7.083 1.076 1.389 1.00 0.00 O ATOM 520 CB ILE A 37 9.067 -1.364 0.049 1.00 0.00 C ATOM 521 CG1 ILE A 37 10.155 -2.272 0.665 1.00 0.00 C ATOM 522 CG2 ILE A 37 9.630 -0.037 -0.512 1.00 0.00 C ATOM 523 CD1 ILE A 37 11.269 -2.599 -0.311 1.00 0.00 C ATOM 0 H ILE A 37 7.736 -3.165 0.936 1.00 0.00 H new ATOM 0 HA ILE A 37 8.547 -0.810 2.061 1.00 0.00 H new ATOM 0 HB ILE A 37 8.618 -1.851 -0.817 1.00 0.00 H new ATOM 0 HG12 ILE A 37 10.578 -1.781 1.541 1.00 0.00 H new ATOM 0 HG13 ILE A 37 9.696 -3.199 1.009 1.00 0.00 H new ATOM 0 HG21 ILE A 37 10.361 -0.252 -1.291 1.00 0.00 H new ATOM 0 HG22 ILE A 37 8.816 0.555 -0.931 1.00 0.00 H new ATOM 0 HG23 ILE A 37 10.110 0.523 0.291 1.00 0.00 H new ATOM 0 HD11 ILE A 37 12.004 -3.239 0.177 1.00 0.00 H new ATOM 0 HD12 ILE A 37 10.854 -3.116 -1.176 1.00 0.00 H new ATOM 0 HD13 ILE A 37 11.750 -1.677 -0.636 1.00 0.00 H new ATOM 535 N CYS A 38 6.197 -0.230 -0.190 1.00 0.00 N ATOM 536 CA CYS A 38 5.350 0.823 -0.712 1.00 0.00 C ATOM 537 C CYS A 38 4.292 1.202 0.320 1.00 0.00 C ATOM 538 O CYS A 38 3.972 2.374 0.455 1.00 0.00 O ATOM 539 CB CYS A 38 4.744 0.368 -2.042 1.00 0.00 C ATOM 540 SG CYS A 38 4.324 1.751 -3.129 1.00 0.00 S ATOM 0 H CYS A 38 6.075 -1.136 -0.642 1.00 0.00 H new ATOM 0 HA CYS A 38 5.935 1.722 -0.907 1.00 0.00 H new ATOM 0 HB2 CYS A 38 5.449 -0.288 -2.552 1.00 0.00 H new ATOM 0 HB3 CYS A 38 3.847 -0.219 -1.846 1.00 0.00 H new ATOM 0 HG CYS A 38 3.082 2.087 -2.944 1.00 0.00 H new ATOM 545 N CYS A 39 3.795 0.243 1.109 1.00 0.00 N ATOM 546 CA CYS A 39 2.958 0.561 2.250 1.00 0.00 C ATOM 547 C CYS A 39 3.749 1.407 3.239 1.00 0.00 C ATOM 548 O CYS A 39 3.272 2.459 3.630 1.00 0.00 O ATOM 549 CB CYS A 39 2.472 -0.723 2.903 1.00 0.00 C ATOM 550 SG CYS A 39 1.632 -1.827 1.756 1.00 0.00 S ATOM 0 H CYS A 39 3.962 -0.754 0.972 1.00 0.00 H new ATOM 0 HA CYS A 39 2.088 1.130 1.923 1.00 0.00 H new ATOM 0 HB2 CYS A 39 3.323 -1.244 3.342 1.00 0.00 H new ATOM 0 HB3 CYS A 39 1.795 -0.474 3.720 1.00 0.00 H new ATOM 0 HG CYS A 39 0.459 -1.344 1.469 1.00 0.00 H new ATOM 555 N ASN A 40 4.956 0.971 3.600 1.00 0.00 N ATOM 556 CA ASN A 40 5.862 1.616 4.544 1.00 0.00 C ATOM 557 C ASN A 40 6.217 3.048 4.137 1.00 0.00 C ATOM 558 O ASN A 40 6.684 3.814 4.976 1.00 0.00 O ATOM 559 CB ASN A 40 7.130 0.744 4.667 1.00 0.00 C ATOM 560 CG ASN A 40 7.045 -0.350 5.719 1.00 0.00 C ATOM 561 OD1 ASN A 40 5.886 -0.923 5.975 1.00 0.00 O flip ATOM 562 ND2 ASN A 40 8.035 -0.707 6.350 1.00 0.00 N flip ATOM 0 H ASN A 40 5.347 0.110 3.219 1.00 0.00 H new ATOM 0 HA ASN A 40 5.362 1.699 5.509 1.00 0.00 H new ATOM 0 HB2 ASN A 40 7.335 0.285 3.700 1.00 0.00 H new ATOM 0 HB3 ASN A 40 7.978 1.389 4.900 1.00 0.00 H new ATOM 0 HD21 ASN A 40 8.940 -0.275 6.166 1.00 0.00 H new ATOM 0 HD22 ASN A 40 7.953 -1.436 7.059 1.00 0.00 H new ATOM 569 N ASP A 41 6.003 3.421 2.880 1.00 0.00 N ATOM 570 CA ASP A 41 6.356 4.714 2.325 1.00 0.00 C ATOM 571 C ASP A 41 5.149 5.538 1.873 1.00 0.00 C ATOM 572 O ASP A 41 5.318 6.652 1.375 1.00 0.00 O ATOM 573 CB ASP A 41 7.359 4.485 1.194 1.00 0.00 C ATOM 574 CG ASP A 41 8.789 4.388 1.725 1.00 0.00 C ATOM 575 OD1 ASP A 41 9.111 3.440 2.472 1.00 0.00 O ATOM 576 OD2 ASP A 41 9.619 5.272 1.404 1.00 0.00 O ATOM 0 H ASP A 41 5.562 2.805 2.197 1.00 0.00 H new ATOM 0 HA ASP A 41 6.809 5.319 3.111 1.00 0.00 H new ATOM 0 HB2 ASP A 41 7.105 3.569 0.661 1.00 0.00 H new ATOM 0 HB3 ASP A 41 7.291 5.302 0.475 1.00 0.00 H new ATOM 581 N CYS A 42 3.933 5.020 2.060 1.00 0.00 N ATOM 582 CA CYS A 42 2.687 5.734 1.785 1.00 0.00 C ATOM 583 C CYS A 42 1.780 5.797 3.021 1.00 0.00 C ATOM 584 O CYS A 42 1.005 6.739 3.190 1.00 0.00 O ATOM 585 CB CYS A 42 1.942 5.060 0.632 1.00 0.00 C ATOM 586 SG CYS A 42 2.840 4.827 -0.932 1.00 0.00 S ATOM 0 H CYS A 42 3.786 4.075 2.413 1.00 0.00 H new ATOM 0 HA CYS A 42 2.947 6.756 1.509 1.00 0.00 H new ATOM 0 HB2 CYS A 42 1.607 4.081 0.976 1.00 0.00 H new ATOM 0 HB3 CYS A 42 1.048 5.647 0.421 1.00 0.00 H new ATOM 0 HG CYS A 42 3.579 3.760 -0.853 1.00 0.00 H new ATOM 591 N PHE A 43 1.871 4.801 3.900 1.00 0.00 N ATOM 592 CA PHE A 43 1.058 4.603 5.080 1.00 0.00 C ATOM 593 C PHE A 43 1.998 4.511 6.286 1.00 0.00 C ATOM 594 O PHE A 43 3.067 3.888 6.247 1.00 0.00 O ATOM 595 CB PHE A 43 0.222 3.312 4.943 1.00 0.00 C ATOM 596 CG PHE A 43 -0.895 3.310 3.904 1.00 0.00 C ATOM 597 CD1 PHE A 43 -0.654 2.934 2.562 1.00 0.00 C ATOM 598 CD2 PHE A 43 -2.206 3.664 4.286 1.00 0.00 C ATOM 599 CE1 PHE A 43 -1.691 2.979 1.612 1.00 0.00 C ATOM 600 CE2 PHE A 43 -3.238 3.714 3.330 1.00 0.00 C ATOM 601 CZ PHE A 43 -2.982 3.381 1.990 1.00 0.00 C ATOM 0 H PHE A 43 2.567 4.063 3.791 1.00 0.00 H new ATOM 0 HA PHE A 43 0.364 5.434 5.208 1.00 0.00 H new ATOM 0 HB2 PHE A 43 0.902 2.493 4.709 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -0.220 3.092 5.915 1.00 0.00 H new ATOM 0 HD1 PHE A 43 0.332 2.610 2.264 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -2.419 3.898 5.319 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -1.493 2.703 0.587 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -4.233 4.010 3.629 1.00 0.00 H new ATOM 0 HZ PHE A 43 -3.772 3.434 1.256 1.00 0.00 H new ATOM 611 N ASP A 44 1.535 5.065 7.400 1.00 0.00 N ATOM 612 CA ASP A 44 2.114 4.882 8.731 1.00 0.00 C ATOM 613 C ASP A 44 2.087 3.392 9.110 1.00 0.00 C ATOM 614 O ASP A 44 1.414 2.606 8.443 1.00 0.00 O ATOM 615 CB ASP A 44 1.254 5.646 9.739 1.00 0.00 C ATOM 616 CG ASP A 44 1.676 7.074 10.052 1.00 0.00 C ATOM 617 OD1 ASP A 44 2.852 7.252 10.448 1.00 0.00 O ATOM 618 OD2 ASP A 44 0.791 7.956 10.049 1.00 0.00 O ATOM 0 H ASP A 44 0.718 5.676 7.405 1.00 0.00 H new ATOM 0 HA ASP A 44 3.142 5.245 8.736 1.00 0.00 H new ATOM 0 HB2 ASP A 44 0.230 5.668 9.366 1.00 0.00 H new ATOM 0 HB3 ASP A 44 1.241 5.082 10.672 1.00 0.00 H new ATOM 623 N GLU A 45 2.726 2.998 10.220 1.00 0.00 N ATOM 624 CA GLU A 45 2.844 1.604 10.671 1.00 0.00 C ATOM 625 C GLU A 45 1.485 0.898 10.724 1.00 0.00 C ATOM 626 O GLU A 45 1.303 -0.157 10.113 1.00 0.00 O ATOM 627 CB GLU A 45 3.468 1.531 12.070 1.00 0.00 C ATOM 628 CG GLU A 45 4.993 1.456 12.125 1.00 0.00 C ATOM 629 CD GLU A 45 5.463 1.377 13.583 1.00 0.00 C ATOM 630 OE1 GLU A 45 5.431 0.295 14.219 1.00 0.00 O ATOM 631 OE2 GLU A 45 5.762 2.436 14.184 1.00 0.00 O ATOM 0 H GLU A 45 3.188 3.658 10.846 1.00 0.00 H new ATOM 0 HA GLU A 45 3.482 1.103 9.943 1.00 0.00 H new ATOM 0 HB2 GLU A 45 3.147 2.407 12.634 1.00 0.00 H new ATOM 0 HB3 GLU A 45 3.063 0.657 12.581 1.00 0.00 H new ATOM 0 HG2 GLU A 45 5.342 0.583 11.574 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.426 2.332 11.642 1.00 0.00 H new ATOM 638 N THR A 46 0.538 1.471 11.471 1.00 0.00 N ATOM 639 CA THR A 46 -0.765 0.866 11.688 1.00 0.00 C ATOM 640 C THR A 46 -1.462 0.672 10.332 1.00 0.00 C ATOM 641 O THR A 46 -1.803 -0.464 9.988 1.00 0.00 O ATOM 642 CB THR A 46 -1.530 1.700 12.736 1.00 0.00 C ATOM 643 OG1 THR A 46 -1.019 1.431 14.033 1.00 0.00 O ATOM 644 CG2 THR A 46 -3.019 1.392 12.807 1.00 0.00 C ATOM 0 H THR A 46 0.660 2.369 11.940 1.00 0.00 H new ATOM 0 HA THR A 46 -0.702 -0.136 12.113 1.00 0.00 H new ATOM 0 HB THR A 46 -1.394 2.736 12.424 1.00 0.00 H new ATOM 0 HG1 THR A 46 -1.507 1.965 14.694 1.00 0.00 H new ATOM 0 HG21 THR A 46 -3.485 2.019 13.567 1.00 0.00 H new ATOM 0 HG22 THR A 46 -3.479 1.593 11.839 1.00 0.00 H new ATOM 0 HG23 THR A 46 -3.162 0.343 13.066 1.00 0.00 H new ATOM 652 N GLY A 47 -1.613 1.738 9.531 1.00 0.00 N ATOM 653 CA GLY A 47 -2.247 1.656 8.213 1.00 0.00 C ATOM 654 C GLY A 47 -1.518 0.679 7.285 1.00 0.00 C ATOM 655 O GLY A 47 -2.150 -0.085 6.545 1.00 0.00 O ATOM 0 H GLY A 47 -1.299 2.676 9.780 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -3.284 1.341 8.329 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.264 2.646 7.757 1.00 0.00 H new ATOM 659 N THR A 48 -0.187 0.658 7.352 1.00 0.00 N ATOM 660 CA THR A 48 0.648 -0.297 6.658 1.00 0.00 C ATOM 661 C THR A 48 0.201 -1.706 6.990 1.00 0.00 C ATOM 662 O THR A 48 0.103 -2.504 6.067 1.00 0.00 O ATOM 663 CB THR A 48 2.147 -0.074 6.982 1.00 0.00 C ATOM 664 OG1 THR A 48 2.730 0.790 6.038 1.00 0.00 O ATOM 665 CG2 THR A 48 3.016 -1.335 7.000 1.00 0.00 C ATOM 0 H THR A 48 0.346 1.327 7.908 1.00 0.00 H new ATOM 0 HA THR A 48 0.536 -0.148 5.584 1.00 0.00 H new ATOM 0 HB THR A 48 2.130 0.336 7.992 1.00 0.00 H new ATOM 0 HG1 THR A 48 2.710 1.709 6.379 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.045 -1.064 7.237 1.00 0.00 H new ATOM 0 HG22 THR A 48 2.640 -2.026 7.755 1.00 0.00 H new ATOM 0 HG23 THR A 48 2.983 -1.814 6.021 1.00 0.00 H new ATOM 673 N GLY A 49 -0.054 -2.057 8.248 1.00 0.00 N ATOM 674 CA GLY A 49 -0.293 -3.444 8.595 1.00 0.00 C ATOM 675 C GLY A 49 -1.535 -4.027 7.915 1.00 0.00 C ATOM 676 O GLY A 49 -1.616 -5.248 7.776 1.00 0.00 O ATOM 0 H GLY A 49 -0.099 -1.405 9.031 1.00 0.00 H new ATOM 0 HA2 GLY A 49 0.578 -4.037 8.317 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.405 -3.528 9.676 1.00 0.00 H new ATOM 680 N ALA A 50 -2.487 -3.197 7.480 1.00 0.00 N ATOM 681 CA ALA A 50 -3.611 -3.600 6.642 1.00 0.00 C ATOM 682 C ALA A 50 -3.172 -3.767 5.185 1.00 0.00 C ATOM 683 O ALA A 50 -3.483 -4.765 4.535 1.00 0.00 O ATOM 684 CB ALA A 50 -4.683 -2.511 6.738 1.00 0.00 C ATOM 0 H ALA A 50 -2.494 -2.203 7.708 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.001 -4.558 6.985 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.538 -2.786 6.120 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -5.004 -2.406 7.775 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -4.272 -1.564 6.388 1.00 0.00 H new ATOM 690 N CYS A 51 -2.451 -2.775 4.664 1.00 0.00 N ATOM 691 CA CYS A 51 -2.041 -2.684 3.280 1.00 0.00 C ATOM 692 C CYS A 51 -1.025 -3.793 2.974 1.00 0.00 C ATOM 693 O CYS A 51 -1.034 -4.394 1.899 1.00 0.00 O ATOM 694 CB CYS A 51 -1.518 -1.257 3.069 1.00 0.00 C ATOM 695 SG CYS A 51 -1.422 -0.679 1.359 1.00 0.00 S ATOM 0 H CYS A 51 -2.128 -1.986 5.224 1.00 0.00 H new ATOM 0 HA CYS A 51 -2.857 -2.848 2.576 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -2.159 -0.573 3.625 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -0.523 -1.190 3.508 1.00 0.00 H new ATOM 0 HG CYS A 51 -2.595 -0.276 0.971 1.00 0.00 H new ATOM 700 N ARG A 52 -0.210 -4.165 3.967 1.00 0.00 N ATOM 701 CA ARG A 52 0.665 -5.315 3.911 1.00 0.00 C ATOM 702 C ARG A 52 -0.139 -6.560 3.655 1.00 0.00 C ATOM 703 O ARG A 52 0.150 -7.219 2.667 1.00 0.00 O ATOM 704 CB ARG A 52 1.567 -5.480 5.136 1.00 0.00 C ATOM 705 CG ARG A 52 2.718 -4.471 5.093 1.00 0.00 C ATOM 706 CD ARG A 52 3.748 -4.546 6.228 1.00 0.00 C ATOM 707 NE ARG A 52 4.688 -5.675 6.110 1.00 0.00 N ATOM 708 CZ ARG A 52 5.269 -6.308 7.148 1.00 0.00 C ATOM 709 NH1 ARG A 52 5.048 -5.894 8.393 1.00 0.00 N ATOM 710 NH2 ARG A 52 6.047 -7.358 6.948 1.00 0.00 N ATOM 0 H ARG A 52 -0.148 -3.655 4.848 1.00 0.00 H new ATOM 0 HA ARG A 52 1.348 -5.141 3.080 1.00 0.00 H new ATOM 0 HB2 ARG A 52 0.984 -5.338 6.046 1.00 0.00 H new ATOM 0 HB3 ARG A 52 1.965 -6.494 5.168 1.00 0.00 H new ATOM 0 HG2 ARG A 52 3.245 -4.597 4.147 1.00 0.00 H new ATOM 0 HG3 ARG A 52 2.291 -3.468 5.088 1.00 0.00 H new ATOM 0 HD2 ARG A 52 4.315 -3.615 6.253 1.00 0.00 H new ATOM 0 HD3 ARG A 52 3.221 -4.623 7.179 1.00 0.00 H new ATOM 0 HE ARG A 52 4.916 -6.002 5.171 1.00 0.00 H new ATOM 0 HH11 ARG A 52 4.437 -5.095 8.564 1.00 0.00 H new ATOM 0 HH12 ARG A 52 5.489 -6.375 9.176 1.00 0.00 H new ATOM 0 HH21 ARG A 52 6.213 -7.697 6.000 1.00 0.00 H new ATOM 0 HH22 ARG A 52 6.482 -7.829 7.741 1.00 0.00 H new ATOM 724 N ALA A 53 -1.151 -6.858 4.471 1.00 0.00 N ATOM 725 CA ALA A 53 -1.978 -8.048 4.252 1.00 0.00 C ATOM 726 C ALA A 53 -2.529 -8.092 2.823 1.00 0.00 C ATOM 727 O ALA A 53 -2.605 -9.159 2.201 1.00 0.00 O ATOM 728 CB ALA A 53 -3.130 -8.106 5.261 1.00 0.00 C ATOM 0 H ALA A 53 -1.417 -6.299 5.282 1.00 0.00 H new ATOM 0 HA ALA A 53 -1.339 -8.919 4.398 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -3.729 -8.998 5.078 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -2.726 -8.141 6.273 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -3.755 -7.220 5.151 1.00 0.00 H new ATOM 734 N GLN A 54 -2.915 -6.929 2.296 1.00 0.00 N ATOM 735 CA GLN A 54 -3.419 -6.799 0.938 1.00 0.00 C ATOM 736 C GLN A 54 -2.348 -6.937 -0.161 1.00 0.00 C ATOM 737 O GLN A 54 -2.707 -7.106 -1.324 1.00 0.00 O ATOM 738 CB GLN A 54 -4.168 -5.471 0.818 1.00 0.00 C ATOM 739 CG GLN A 54 -5.166 -5.465 -0.347 1.00 0.00 C ATOM 740 CD GLN A 54 -6.376 -6.369 -0.094 1.00 0.00 C ATOM 741 OE1 GLN A 54 -6.566 -6.905 0.996 1.00 0.00 O ATOM 742 NE2 GLN A 54 -7.188 -6.610 -1.102 1.00 0.00 N ATOM 0 H GLN A 54 -2.884 -6.047 2.808 1.00 0.00 H new ATOM 0 HA GLN A 54 -4.092 -7.639 0.765 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -4.699 -5.271 1.749 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -3.449 -4.663 0.681 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -5.510 -4.445 -0.520 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -4.659 -5.789 -1.256 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -7.027 -6.163 -2.005 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -7.978 -7.243 -0.980 1.00 0.00 H new ATOM 751 N ALA A 55 -1.054 -6.929 0.142 1.00 0.00 N ATOM 752 CA ALA A 55 -0.051 -7.418 -0.799 1.00 0.00 C ATOM 753 C ALA A 55 0.248 -8.879 -0.467 1.00 0.00 C ATOM 754 O ALA A 55 0.019 -9.733 -1.317 1.00 0.00 O ATOM 755 CB ALA A 55 1.202 -6.545 -0.731 1.00 0.00 C ATOM 0 H ALA A 55 -0.676 -6.591 1.027 1.00 0.00 H new ATOM 0 HA ALA A 55 -0.422 -7.361 -1.822 1.00 0.00 H new ATOM 0 HB1 ALA A 55 1.944 -6.918 -1.437 1.00 0.00 H new ATOM 0 HB2 ALA A 55 0.944 -5.517 -0.986 1.00 0.00 H new ATOM 0 HB3 ALA A 55 1.613 -6.576 0.278 1.00 0.00 H new ATOM 761 N PHE A 56 0.671 -9.125 0.779 1.00 0.00 N ATOM 762 CA PHE A 56 1.278 -10.297 1.396 1.00 0.00 C ATOM 763 C PHE A 56 0.709 -11.596 0.848 1.00 0.00 C ATOM 764 O PHE A 56 1.462 -12.429 0.351 1.00 0.00 O ATOM 765 CB PHE A 56 1.056 -10.196 2.922 1.00 0.00 C ATOM 766 CG PHE A 56 1.670 -11.304 3.768 1.00 0.00 C ATOM 767 CD1 PHE A 56 2.814 -12.017 3.348 1.00 0.00 C ATOM 768 CD2 PHE A 56 1.090 -11.610 5.014 1.00 0.00 C ATOM 769 CE1 PHE A 56 3.390 -12.981 4.190 1.00 0.00 C ATOM 770 CE2 PHE A 56 1.675 -12.573 5.851 1.00 0.00 C ATOM 771 CZ PHE A 56 2.840 -13.242 5.453 1.00 0.00 C ATOM 0 H PHE A 56 0.577 -8.388 1.477 1.00 0.00 H new ATOM 0 HA PHE A 56 2.343 -10.315 1.164 1.00 0.00 H new ATOM 0 HB2 PHE A 56 1.458 -9.242 3.264 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -0.017 -10.176 3.111 1.00 0.00 H new ATOM 0 HD1 PHE A 56 3.246 -11.820 2.378 1.00 0.00 H new ATOM 0 HD2 PHE A 56 0.190 -11.101 5.327 1.00 0.00 H new ATOM 0 HE1 PHE A 56 4.263 -13.526 3.863 1.00 0.00 H new ATOM 0 HE2 PHE A 56 1.225 -12.799 6.806 1.00 0.00 H new ATOM 0 HZ PHE A 56 3.311 -13.954 6.115 1.00 0.00 H new ATOM 781 N GLY A 57 -0.608 -11.753 0.977 1.00 0.00 N ATOM 782 CA GLY A 57 -1.314 -12.969 0.575 1.00 0.00 C ATOM 783 C GLY A 57 -2.522 -12.732 -0.328 1.00 0.00 C ATOM 784 O GLY A 57 -3.311 -13.647 -0.572 1.00 0.00 O ATOM 0 H GLY A 57 -1.219 -11.035 1.366 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.614 -13.626 0.059 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -1.644 -13.495 1.471 1.00 0.00 H new ATOM 788 N ASN A 58 -2.714 -11.499 -0.797 1.00 0.00 N ATOM 789 CA ASN A 58 -3.900 -11.108 -1.553 1.00 0.00 C ATOM 790 C ASN A 58 -3.601 -11.119 -3.051 1.00 0.00 C ATOM 791 O ASN A 58 -4.179 -11.941 -3.762 1.00 0.00 O ATOM 792 CB ASN A 58 -4.401 -9.751 -1.075 1.00 0.00 C ATOM 793 CG ASN A 58 -5.331 -9.126 -2.106 1.00 0.00 C ATOM 794 OD1 ASN A 58 -6.415 -9.647 -2.342 1.00 0.00 O ATOM 795 ND2 ASN A 58 -4.926 -8.054 -2.770 1.00 0.00 N ATOM 0 H ASN A 58 -2.046 -10.740 -0.661 1.00 0.00 H new ATOM 0 HA ASN A 58 -4.697 -11.831 -1.378 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -4.926 -9.865 -0.127 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -3.554 -9.089 -0.893 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -5.520 -7.647 -3.493 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -4.020 -7.635 -2.559 1.00 0.00 H new ATOM 802 N SER A 59 -2.737 -10.222 -3.542 1.00 0.00 N ATOM 803 CA SER A 59 -2.388 -10.190 -4.962 1.00 0.00 C ATOM 804 C SER A 59 -0.895 -10.392 -5.200 1.00 0.00 C ATOM 805 O SER A 59 -0.534 -11.006 -6.205 1.00 0.00 O ATOM 806 CB SER A 59 -2.869 -8.877 -5.597 1.00 0.00 C ATOM 807 OG SER A 59 -2.704 -8.924 -7.000 1.00 0.00 O ATOM 0 H SER A 59 -2.270 -9.513 -2.977 1.00 0.00 H new ATOM 0 HA SER A 59 -2.898 -11.026 -5.441 1.00 0.00 H new ATOM 0 HB2 SER A 59 -3.918 -8.709 -5.352 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.307 -8.038 -5.185 1.00 0.00 H new ATOM 0 HG SER A 59 -2.712 -8.013 -7.361 1.00 0.00 H new ATOM 813 N CYS A 60 -0.017 -9.858 -4.348 1.00 0.00 N ATOM 814 CA CYS A 60 1.394 -9.846 -4.688 1.00 0.00 C ATOM 815 C CYS A 60 1.995 -11.237 -4.488 1.00 0.00 C ATOM 816 O CYS A 60 1.534 -11.998 -3.635 1.00 0.00 O ATOM 817 CB CYS A 60 2.129 -8.770 -3.890 1.00 0.00 C ATOM 818 SG CYS A 60 3.598 -8.191 -4.755 1.00 0.00 S ATOM 0 H CYS A 60 -0.254 -9.442 -3.447 1.00 0.00 H new ATOM 0 HA CYS A 60 1.510 -9.592 -5.742 1.00 0.00 H new ATOM 0 HB2 CYS A 60 1.459 -7.930 -3.707 1.00 0.00 H new ATOM 0 HB3 CYS A 60 2.413 -9.169 -2.916 1.00 0.00 H new ATOM 0 HG CYS A 60 3.407 -6.973 -5.166 1.00 0.00 H new ATOM 823 N LEU A 61 3.042 -11.555 -5.255 1.00 0.00 N ATOM 824 CA LEU A 61 3.783 -12.801 -5.102 1.00 0.00 C ATOM 825 C LEU A 61 4.412 -12.864 -3.717 1.00 0.00 C ATOM 826 O LEU A 61 4.385 -13.911 -3.071 1.00 0.00 O ATOM 827 CB LEU A 61 4.895 -12.943 -6.170 1.00 0.00 C ATOM 828 CG LEU A 61 4.704 -14.095 -7.170 1.00 0.00 C ATOM 829 CD1 LEU A 61 4.509 -15.449 -6.477 1.00 0.00 C ATOM 830 CD2 LEU A 61 3.542 -13.820 -8.125 1.00 0.00 C ATOM 0 H LEU A 61 3.396 -10.953 -5.998 1.00 0.00 H new ATOM 0 HA LEU A 61 3.076 -13.620 -5.233 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.962 -12.008 -6.727 1.00 0.00 H new ATOM 0 HB3 LEU A 61 5.849 -13.080 -5.661 1.00 0.00 H new ATOM 0 HG LEU A 61 5.627 -14.151 -7.748 1.00 0.00 H new ATOM 0 HD11 LEU A 61 4.379 -16.227 -7.229 1.00 0.00 H new ATOM 0 HD12 LEU A 61 5.384 -15.676 -5.868 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.625 -15.408 -5.840 1.00 0.00 H new ATOM 0 HD21 LEU A 61 3.435 -14.654 -8.818 1.00 0.00 H new ATOM 0 HD22 LEU A 61 2.621 -13.703 -7.554 1.00 0.00 H new ATOM 0 HD23 LEU A 61 3.740 -12.906 -8.685 1.00 0.00 H new ATOM 842 N ASN A 62 4.988 -11.741 -3.287 1.00 0.00 N ATOM 843 CA ASN A 62 5.611 -11.558 -1.991 1.00 0.00 C ATOM 844 C ASN A 62 5.399 -10.101 -1.612 1.00 0.00 C ATOM 845 O ASN A 62 5.481 -9.222 -2.477 1.00 0.00 O ATOM 846 CB ASN A 62 7.119 -11.844 -2.084 1.00 0.00 C ATOM 847 CG ASN A 62 7.418 -13.326 -2.242 1.00 0.00 C ATOM 848 OD1 ASN A 62 7.174 -14.110 -1.324 1.00 0.00 O ATOM 849 ND2 ASN A 62 7.948 -13.745 -3.376 1.00 0.00 N ATOM 0 H ASN A 62 5.031 -10.901 -3.864 1.00 0.00 H new ATOM 0 HA ASN A 62 5.180 -12.234 -1.253 1.00 0.00 H new ATOM 0 HB2 ASN A 62 7.538 -11.299 -2.930 1.00 0.00 H new ATOM 0 HB3 ASN A 62 7.613 -11.470 -1.187 1.00 0.00 H new ATOM 0 HD21 ASN A 62 8.163 -14.734 -3.504 1.00 0.00 H new ATOM 0 HD22 ASN A 62 8.143 -13.080 -4.124 1.00 0.00 H new ATOM 856 N TRP A 63 5.146 -9.831 -0.333 1.00 0.00 N ATOM 857 CA TRP A 63 5.378 -8.499 0.213 1.00 0.00 C ATOM 858 C TRP A 63 6.883 -8.216 0.232 1.00 0.00 C ATOM 859 O TRP A 63 7.681 -9.184 0.220 1.00 0.00 O ATOM 860 CB TRP A 63 4.726 -8.348 1.597 1.00 0.00 C ATOM 861 CG TRP A 63 5.095 -9.283 2.724 1.00 0.00 C ATOM 862 CD1 TRP A 63 5.971 -10.308 2.698 1.00 0.00 C ATOM 863 CD2 TRP A 63 4.582 -9.288 4.085 1.00 0.00 C ATOM 864 NE1 TRP A 63 6.085 -10.887 3.946 1.00 0.00 N ATOM 865 CE2 TRP A 63 5.233 -10.296 4.850 1.00 0.00 C ATOM 866 CE3 TRP A 63 3.594 -8.539 4.732 1.00 0.00 C ATOM 867 CZ2 TRP A 63 4.934 -10.527 6.205 1.00 0.00 C ATOM 868 CZ3 TRP A 63 3.273 -8.753 6.087 1.00 0.00 C ATOM 869 CH2 TRP A 63 3.947 -9.741 6.826 1.00 0.00 C ATOM 0 H TRP A 63 4.784 -10.510 0.337 1.00 0.00 H new ATOM 0 HA TRP A 63 4.905 -7.752 -0.425 1.00 0.00 H new ATOM 0 HB2 TRP A 63 4.931 -7.334 1.940 1.00 0.00 H new ATOM 0 HB3 TRP A 63 3.648 -8.425 1.455 1.00 0.00 H new ATOM 0 HD1 TRP A 63 6.510 -10.632 1.820 1.00 0.00 H new ATOM 0 HE1 TRP A 63 6.719 -11.654 4.169 1.00 0.00 H new ATOM 0 HE3 TRP A 63 3.064 -7.778 4.179 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 5.454 -11.295 6.759 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 2.507 -8.156 6.559 1.00 0.00 H new ATOM 0 HH2 TRP A 63 3.707 -9.896 7.868 1.00 0.00 H new