USER MOD reduce.3.24.130724 H: found=0, std=0, add=409, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 408 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 28 LYS NZ :NH3+ -175:sc= -0.0945 (180deg=-0.12) USER MOD Set 1.2: A 34 SER OG : rot 7:sc= 1.29 USER MOD Single : A 1 VAL N :NH3+ -117:sc= -0.134 (180deg=-0.346) USER MOD Single : A 5 TYR OH : rot -64:sc= 1.3 USER MOD Single : A 8 GLN : amide:sc= 0.884 K(o=0.88,f=0) USER MOD Single : A 11 ASN : amide:sc= 0.961 K(o=0.96,f=-6.8!) USER MOD Single : A 12 CYS SG : rot 49:sc= 0.364 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HD1:sc= -0.241 X(o=-0.24,f=-0.24) USER MOD Single : A 20 SER OG : rot -24:sc= 0.906 USER MOD Single : A 21 SER OG : rot 180:sc= 0.0865 USER MOD Single : A 25 THR OG1 : rot 89:sc= 1.24 USER MOD Single : A 30 LYS NZ :NH3+ -170:sc= -0.0024 (180deg=-0.111) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.0133 USER MOD Single : A 36 HIS :FLIP no HD1:sc= -0.163 F(o=-0.93,f=-0.16) USER MOD Single : A 40 LYS NZ :NH3+ 154:sc= -0.0306 (180deg=-0.194) USER MOD Single : A 43 HIS : no HD1:sc= -0.153 K(o=-0.15,f=-0.99) USER MOD Single : A 50 ASN : amide:sc= 0.981 K(o=0.98,f=-4.4!) USER MOD Single : A 55 ASN : amide:sc= 0.433 K(o=0.43,f=-5.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 6.418 12.289 6.040 1.00 0.00 N ATOM 2 CA VAL A 1 5.959 11.076 5.315 1.00 0.00 C ATOM 3 C VAL A 1 4.875 10.375 6.101 1.00 0.00 C ATOM 4 O VAL A 1 4.642 10.672 7.274 1.00 0.00 O ATOM 5 CB VAL A 1 7.127 10.116 5.017 1.00 0.00 C ATOM 6 CG1 VAL A 1 8.144 10.798 4.071 1.00 0.00 C ATOM 7 CG2 VAL A 1 7.800 9.598 6.310 1.00 0.00 C ATOM 0 H1 VAL A 1 6.209 13.134 5.471 1.00 0.00 H new ATOM 0 H2 VAL A 1 5.924 12.356 6.953 1.00 0.00 H new ATOM 0 H3 VAL A 1 7.443 12.228 6.205 1.00 0.00 H new ATOM 0 HA VAL A 1 5.548 11.394 4.357 1.00 0.00 H new ATOM 0 HB VAL A 1 6.724 9.237 4.513 1.00 0.00 H new ATOM 0 HG11 VAL A 1 8.966 10.113 3.866 1.00 0.00 H new ATOM 0 HG12 VAL A 1 7.650 11.063 3.136 1.00 0.00 H new ATOM 0 HG13 VAL A 1 8.533 11.700 4.544 1.00 0.00 H new ATOM 0 HG21 VAL A 1 8.617 8.925 6.050 1.00 0.00 H new ATOM 0 HG22 VAL A 1 8.191 10.441 6.879 1.00 0.00 H new ATOM 0 HG23 VAL A 1 7.066 9.062 6.913 1.00 0.00 H new ATOM 19 N ARG A 2 4.197 9.398 5.453 1.00 0.00 N ATOM 20 CA ARG A 2 3.404 8.402 6.130 1.00 0.00 C ATOM 21 C ARG A 2 4.313 7.208 6.189 1.00 0.00 C ATOM 22 O ARG A 2 5.323 7.143 5.490 1.00 0.00 O ATOM 23 CB ARG A 2 2.136 7.885 5.385 1.00 0.00 C ATOM 24 CG ARG A 2 1.051 8.906 4.996 1.00 0.00 C ATOM 25 CD ARG A 2 1.278 9.582 3.631 1.00 0.00 C ATOM 26 NE ARG A 2 -0.039 9.777 2.925 1.00 0.00 N ATOM 27 CZ ARG A 2 -0.912 10.797 3.187 1.00 0.00 C ATOM 28 NH1 ARG A 2 -0.673 11.717 4.164 1.00 0.00 N ATOM 29 NH2 ARG A 2 -2.055 10.888 2.441 1.00 0.00 N ATOM 0 H ARG A 2 4.200 9.298 4.438 1.00 0.00 H new ATOM 0 HA ARG A 2 3.054 8.849 7.061 1.00 0.00 H new ATOM 0 HB2 ARG A 2 2.466 7.387 4.473 1.00 0.00 H new ATOM 0 HB3 ARG A 2 1.669 7.126 6.012 1.00 0.00 H new ATOM 0 HG2 ARG A 2 0.084 8.404 4.983 1.00 0.00 H new ATOM 0 HG3 ARG A 2 1.000 9.676 5.766 1.00 0.00 H new ATOM 0 HD2 ARG A 2 1.771 10.544 3.770 1.00 0.00 H new ATOM 0 HD3 ARG A 2 1.941 8.970 3.019 1.00 0.00 H new ATOM 0 HE ARG A 2 -0.297 9.103 2.204 1.00 0.00 H new ATOM 0 HH11 ARG A 2 0.177 11.657 4.725 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -1.344 12.466 4.335 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -2.241 10.204 1.708 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -2.721 11.640 2.618 1.00 0.00 H new ATOM 43 N ASP A 3 3.918 6.181 6.962 1.00 0.00 N ATOM 44 CA ASP A 3 4.368 4.834 6.755 1.00 0.00 C ATOM 45 C ASP A 3 2.985 4.293 6.670 1.00 0.00 C ATOM 46 O ASP A 3 2.089 4.880 7.288 1.00 0.00 O ATOM 47 CB ASP A 3 5.105 4.167 7.944 1.00 0.00 C ATOM 48 CG ASP A 3 6.375 4.944 8.288 1.00 0.00 C ATOM 49 OD1 ASP A 3 7.302 4.972 7.436 1.00 0.00 O ATOM 50 OD2 ASP A 3 6.442 5.508 9.413 1.00 0.00 O ATOM 0 H ASP A 3 3.274 6.285 7.746 1.00 0.00 H new ATOM 0 HA ASP A 3 5.091 4.698 5.951 1.00 0.00 H new ATOM 0 HB2 ASP A 3 4.448 4.130 8.813 1.00 0.00 H new ATOM 0 HB3 ASP A 3 5.358 3.137 7.691 1.00 0.00 H new ATOM 55 N GLY A 4 2.711 3.260 5.862 1.00 0.00 N ATOM 56 CA GLY A 4 1.343 2.846 5.795 1.00 0.00 C ATOM 57 C GLY A 4 1.319 1.484 5.248 1.00 0.00 C ATOM 58 O GLY A 4 2.344 0.941 4.843 1.00 0.00 O ATOM 0 H GLY A 4 3.378 2.741 5.291 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.887 2.870 6.785 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.768 3.523 5.163 1.00 0.00 H new ATOM 62 N TYR A 5 0.097 0.943 5.135 1.00 0.00 N ATOM 63 CA TYR A 5 -0.182 -0.130 4.234 1.00 0.00 C ATOM 64 C TYR A 5 -0.501 0.622 2.995 1.00 0.00 C ATOM 65 O TYR A 5 -1.227 1.611 3.063 1.00 0.00 O ATOM 66 CB TYR A 5 -1.410 -0.960 4.638 1.00 0.00 C ATOM 67 CG TYR A 5 -1.008 -1.925 5.702 1.00 0.00 C ATOM 68 CD1 TYR A 5 -0.505 -3.181 5.338 1.00 0.00 C ATOM 69 CD2 TYR A 5 -1.128 -1.598 7.063 1.00 0.00 C ATOM 70 CE1 TYR A 5 -0.210 -4.127 6.320 1.00 0.00 C ATOM 71 CE2 TYR A 5 -0.797 -2.537 8.049 1.00 0.00 C ATOM 72 CZ TYR A 5 -0.382 -3.822 7.674 1.00 0.00 C ATOM 73 OH TYR A 5 -0.279 -4.845 8.640 1.00 0.00 O ATOM 0 H TYR A 5 -0.710 1.253 5.676 1.00 0.00 H new ATOM 0 HA TYR A 5 0.637 -0.847 4.175 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -2.204 -0.307 5.001 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -1.806 -1.494 3.774 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -0.345 -3.417 4.296 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -1.477 -0.617 7.351 1.00 0.00 H new ATOM 0 HE1 TYR A 5 0.154 -5.102 6.032 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -0.861 -2.272 9.094 1.00 0.00 H new ATOM 0 HH TYR A 5 -0.991 -5.503 8.496 1.00 0.00 H new ATOM 83 N ILE A 6 0.077 0.223 1.852 1.00 0.00 N ATOM 84 CA ILE A 6 -0.139 0.906 0.616 1.00 0.00 C ATOM 85 C ILE A 6 -1.323 0.228 -0.006 1.00 0.00 C ATOM 86 O ILE A 6 -1.499 -1.004 0.106 1.00 0.00 O ATOM 87 CB ILE A 6 1.085 1.013 -0.286 1.00 0.00 C ATOM 88 CG1 ILE A 6 0.803 1.787 -1.597 1.00 0.00 C ATOM 89 CG2 ILE A 6 1.684 -0.378 -0.524 1.00 0.00 C ATOM 90 CD1 ILE A 6 2.069 2.204 -2.352 1.00 0.00 C ATOM 0 H ILE A 6 0.701 -0.581 1.783 1.00 0.00 H new ATOM 0 HA ILE A 6 -0.341 1.963 0.790 1.00 0.00 H new ATOM 0 HB ILE A 6 1.833 1.614 0.230 1.00 0.00 H new ATOM 0 HG12 ILE A 6 0.189 1.166 -2.250 1.00 0.00 H new ATOM 0 HG13 ILE A 6 0.220 2.678 -1.364 1.00 0.00 H new ATOM 0 HG21 ILE A 6 2.558 -0.292 -1.170 1.00 0.00 H new ATOM 0 HG22 ILE A 6 1.979 -0.815 0.430 1.00 0.00 H new ATOM 0 HG23 ILE A 6 0.941 -1.017 -1.002 1.00 0.00 H new ATOM 0 HD11 ILE A 6 1.791 2.741 -3.259 1.00 0.00 H new ATOM 0 HD12 ILE A 6 2.674 2.852 -1.718 1.00 0.00 H new ATOM 0 HD13 ILE A 6 2.643 1.316 -2.617 1.00 0.00 H new ATOM 102 N ALA A 7 -2.150 1.114 -0.605 1.00 0.00 N ATOM 103 CA ALA A 7 -3.382 0.853 -1.273 1.00 0.00 C ATOM 104 C ALA A 7 -3.115 0.956 -2.733 1.00 0.00 C ATOM 105 O ALA A 7 -2.087 0.514 -3.224 1.00 0.00 O ATOM 106 CB ALA A 7 -4.472 1.882 -0.920 1.00 0.00 C ATOM 0 H ALA A 7 -1.925 2.109 -0.617 1.00 0.00 H new ATOM 0 HA ALA A 7 -3.741 -0.131 -0.970 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -5.390 1.638 -1.455 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -4.660 1.859 0.153 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -4.138 2.879 -1.208 1.00 0.00 H new ATOM 112 N GLN A 8 -4.056 1.585 -3.450 1.00 0.00 N ATOM 113 CA GLN A 8 -3.927 2.048 -4.787 1.00 0.00 C ATOM 114 C GLN A 8 -4.514 3.396 -4.513 1.00 0.00 C ATOM 115 O GLN A 8 -5.325 3.452 -3.581 1.00 0.00 O ATOM 116 CB GLN A 8 -4.882 1.324 -5.768 1.00 0.00 C ATOM 117 CG GLN A 8 -4.580 -0.175 -5.924 1.00 0.00 C ATOM 118 CD GLN A 8 -5.817 -0.870 -6.503 1.00 0.00 C ATOM 119 OE1 GLN A 8 -6.307 -0.508 -7.582 1.00 0.00 O ATOM 120 NE2 GLN A 8 -6.357 -1.875 -5.754 1.00 0.00 N ATOM 0 H GLN A 8 -4.978 1.784 -3.061 1.00 0.00 H new ATOM 0 HA GLN A 8 -2.936 1.951 -5.229 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -5.908 1.446 -5.420 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -4.818 1.803 -6.745 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -3.723 -0.321 -6.581 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -4.320 -0.610 -4.959 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -5.923 -2.143 -4.871 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -7.195 -2.358 -6.077 1.00 0.00 H new ATOM 129 N PRO A 9 -4.221 4.473 -5.229 1.00 0.00 N ATOM 130 CA PRO A 9 -5.038 5.672 -5.198 1.00 0.00 C ATOM 131 C PRO A 9 -6.389 5.289 -5.766 1.00 0.00 C ATOM 132 O PRO A 9 -6.384 4.557 -6.754 1.00 0.00 O ATOM 133 CB PRO A 9 -4.302 6.658 -6.123 1.00 0.00 C ATOM 134 CG PRO A 9 -2.853 6.150 -6.157 1.00 0.00 C ATOM 135 CD PRO A 9 -3.022 4.634 -6.046 1.00 0.00 C ATOM 0 HA PRO A 9 -5.186 6.107 -4.209 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -4.742 6.669 -7.120 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -4.356 7.677 -5.739 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -2.347 6.434 -7.079 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -2.264 6.553 -5.333 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -3.142 4.173 -7.026 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -2.154 4.169 -5.578 1.00 0.00 H new ATOM 143 N GLU A 10 -7.544 5.678 -5.186 1.00 0.00 N ATOM 144 CA GLU A 10 -7.680 6.746 -4.228 1.00 0.00 C ATOM 145 C GLU A 10 -7.627 6.185 -2.835 1.00 0.00 C ATOM 146 O GLU A 10 -7.061 6.792 -1.927 1.00 0.00 O ATOM 147 CB GLU A 10 -8.986 7.541 -4.423 1.00 0.00 C ATOM 148 CG GLU A 10 -9.096 8.162 -5.832 1.00 0.00 C ATOM 149 CD GLU A 10 -7.957 9.143 -6.101 1.00 0.00 C ATOM 150 OE1 GLU A 10 -7.867 10.158 -5.361 1.00 0.00 O ATOM 151 OE2 GLU A 10 -7.163 8.888 -7.046 1.00 0.00 O ATOM 0 H GLU A 10 -8.433 5.224 -5.395 1.00 0.00 H new ATOM 0 HA GLU A 10 -6.852 7.437 -4.385 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -9.837 6.882 -4.253 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -9.041 8.332 -3.675 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -9.081 7.371 -6.582 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -10.052 8.677 -5.931 1.00 0.00 H new ATOM 158 N ASN A 11 -8.227 4.999 -2.645 1.00 0.00 N ATOM 159 CA ASN A 11 -8.297 4.289 -1.415 1.00 0.00 C ATOM 160 C ASN A 11 -8.556 2.968 -2.053 1.00 0.00 C ATOM 161 O ASN A 11 -9.168 2.970 -3.122 1.00 0.00 O ATOM 162 CB ASN A 11 -9.526 4.686 -0.551 1.00 0.00 C ATOM 163 CG ASN A 11 -9.540 3.957 0.798 1.00 0.00 C ATOM 164 OD1 ASN A 11 -8.593 3.254 1.167 1.00 0.00 O ATOM 165 ND2 ASN A 11 -10.618 4.222 1.597 1.00 0.00 N ATOM 0 H ASN A 11 -8.694 4.506 -3.406 1.00 0.00 H new ATOM 0 HA ASN A 11 -7.453 4.411 -0.736 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -9.517 5.763 -0.381 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -10.442 4.457 -1.096 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -10.662 3.834 2.539 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -11.378 4.808 1.251 1.00 0.00 H new ATOM 172 N CYS A 12 -8.092 1.873 -1.440 1.00 0.00 N ATOM 173 CA CYS A 12 -8.272 0.482 -1.818 1.00 0.00 C ATOM 174 C CYS A 12 -7.317 -0.172 -0.863 1.00 0.00 C ATOM 175 O CYS A 12 -6.956 0.455 0.129 1.00 0.00 O ATOM 176 CB CYS A 12 -7.897 0.083 -3.284 1.00 0.00 C ATOM 177 SG CYS A 12 -9.175 0.381 -4.534 1.00 0.00 S ATOM 0 H CYS A 12 -7.532 1.954 -0.592 1.00 0.00 H new ATOM 0 HA CYS A 12 -9.324 0.201 -1.776 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -7.000 0.631 -3.571 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -7.642 -0.977 -3.298 1.00 0.00 H new ATOM 0 HG CYS A 12 -9.630 1.593 -4.410 1.00 0.00 H new ATOM 182 N VAL A 13 -6.855 -1.404 -1.167 1.00 0.00 N ATOM 183 CA VAL A 13 -5.652 -1.990 -0.661 1.00 0.00 C ATOM 184 C VAL A 13 -4.953 -2.285 -1.961 1.00 0.00 C ATOM 185 O VAL A 13 -5.586 -2.244 -3.021 1.00 0.00 O ATOM 186 CB VAL A 13 -5.822 -3.268 0.161 1.00 0.00 C ATOM 187 CG1 VAL A 13 -6.176 -2.891 1.615 1.00 0.00 C ATOM 188 CG2 VAL A 13 -6.863 -4.219 -0.466 1.00 0.00 C ATOM 0 H VAL A 13 -7.354 -2.025 -1.804 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.142 -1.340 0.050 1.00 0.00 H new ATOM 0 HB VAL A 13 -4.881 -3.818 0.163 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -6.299 -3.798 2.207 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.374 -2.287 2.040 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -7.105 -2.322 1.627 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -6.954 -5.115 0.148 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -7.829 -3.717 -0.520 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -6.543 -4.498 -1.470 1.00 0.00 H new ATOM 198 N TYR A 14 -3.632 -2.581 -1.912 1.00 0.00 N ATOM 199 CA TYR A 14 -2.892 -3.145 -3.026 1.00 0.00 C ATOM 200 C TYR A 14 -3.132 -4.622 -2.907 1.00 0.00 C ATOM 201 O TYR A 14 -4.113 -5.044 -2.310 1.00 0.00 O ATOM 202 CB TYR A 14 -1.361 -2.803 -2.991 1.00 0.00 C ATOM 203 CG TYR A 14 -0.816 -2.047 -4.191 1.00 0.00 C ATOM 204 CD1 TYR A 14 -1.418 -2.019 -5.469 1.00 0.00 C ATOM 205 CD2 TYR A 14 0.372 -1.317 -4.006 1.00 0.00 C ATOM 206 CE1 TYR A 14 -0.894 -1.217 -6.492 1.00 0.00 C ATOM 207 CE2 TYR A 14 0.901 -0.517 -5.024 1.00 0.00 C ATOM 208 CZ TYR A 14 0.254 -0.446 -6.264 1.00 0.00 C ATOM 209 OH TYR A 14 0.747 0.405 -7.280 1.00 0.00 O ATOM 0 H TYR A 14 -3.060 -2.427 -1.082 1.00 0.00 H new ATOM 0 HA TYR A 14 -3.227 -2.732 -3.977 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -1.162 -2.214 -2.096 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -0.804 -3.734 -2.891 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -2.293 -2.623 -5.660 1.00 0.00 H new ATOM 0 HD2 TYR A 14 0.886 -1.375 -3.058 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -1.376 -1.193 -7.458 1.00 0.00 H new ATOM 0 HE2 TYR A 14 1.807 0.045 -4.854 1.00 0.00 H new ATOM 0 HH TYR A 14 1.548 0.869 -6.958 1.00 0.00 H new ATOM 219 N HIS A 15 -2.245 -5.468 -3.434 1.00 0.00 N ATOM 220 CA HIS A 15 -2.198 -6.838 -3.015 1.00 0.00 C ATOM 221 C HIS A 15 -0.724 -6.988 -2.978 1.00 0.00 C ATOM 222 O HIS A 15 -0.001 -6.034 -3.273 1.00 0.00 O ATOM 223 CB HIS A 15 -2.859 -7.879 -3.953 1.00 0.00 C ATOM 224 CG HIS A 15 -4.284 -8.160 -3.558 1.00 0.00 C ATOM 225 ND1 HIS A 15 -5.318 -7.296 -3.795 1.00 0.00 N ATOM 226 CD2 HIS A 15 -4.782 -9.181 -2.817 1.00 0.00 C ATOM 227 CE1 HIS A 15 -6.408 -7.780 -3.216 1.00 0.00 C ATOM 228 NE2 HIS A 15 -6.111 -8.925 -2.619 1.00 0.00 N ATOM 0 H HIS A 15 -1.560 -5.215 -4.146 1.00 0.00 H new ATOM 0 HA HIS A 15 -2.759 -7.029 -2.100 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -2.831 -7.513 -4.979 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -2.286 -8.806 -3.930 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -4.232 -10.036 -2.452 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -7.383 -7.315 -3.229 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -6.762 -9.515 -2.100 1.00 0.00 H new ATOM 237 N CYS A 16 -0.251 -8.180 -2.601 1.00 0.00 N ATOM 238 CA CYS A 16 1.126 -8.477 -2.466 1.00 0.00 C ATOM 239 C CYS A 16 1.070 -9.863 -2.980 1.00 0.00 C ATOM 240 O CYS A 16 -0.024 -10.398 -3.187 1.00 0.00 O ATOM 241 CB CYS A 16 1.600 -8.475 -0.994 1.00 0.00 C ATOM 242 SG CYS A 16 3.396 -8.668 -0.810 1.00 0.00 S ATOM 0 H CYS A 16 -0.858 -8.970 -2.381 1.00 0.00 H new ATOM 0 HA CYS A 16 1.804 -7.778 -2.956 1.00 0.00 H new ATOM 0 HB2 CYS A 16 1.293 -7.541 -0.523 1.00 0.00 H new ATOM 0 HB3 CYS A 16 1.099 -9.282 -0.458 1.00 0.00 H new ATOM 247 N PHE A 17 2.240 -10.470 -3.192 1.00 0.00 N ATOM 248 CA PHE A 17 2.374 -11.812 -3.620 1.00 0.00 C ATOM 249 C PHE A 17 3.274 -12.285 -2.523 1.00 0.00 C ATOM 250 O PHE A 17 4.326 -11.656 -2.385 1.00 0.00 O ATOM 251 CB PHE A 17 3.133 -11.898 -4.968 1.00 0.00 C ATOM 252 CG PHE A 17 2.463 -11.011 -5.988 1.00 0.00 C ATOM 253 CD1 PHE A 17 1.285 -11.420 -6.638 1.00 0.00 C ATOM 254 CD2 PHE A 17 2.970 -9.722 -6.250 1.00 0.00 C ATOM 255 CE1 PHE A 17 0.631 -10.565 -7.534 1.00 0.00 C ATOM 256 CE2 PHE A 17 2.313 -8.862 -7.138 1.00 0.00 C ATOM 257 CZ PHE A 17 1.144 -9.286 -7.784 1.00 0.00 C ATOM 0 H PHE A 17 3.135 -10.000 -3.058 1.00 0.00 H new ATOM 0 HA PHE A 17 1.440 -12.352 -3.775 1.00 0.00 H new ATOM 0 HB2 PHE A 17 4.170 -11.592 -4.832 1.00 0.00 H new ATOM 0 HB3 PHE A 17 3.148 -12.929 -5.322 1.00 0.00 H new ATOM 0 HD1 PHE A 17 0.881 -12.403 -6.444 1.00 0.00 H new ATOM 0 HD2 PHE A 17 3.875 -9.394 -5.760 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -0.269 -10.892 -8.032 1.00 0.00 H new ATOM 0 HE2 PHE A 17 2.706 -7.874 -7.325 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.639 -8.627 -8.474 1.00 0.00 H new ATOM 267 N PRO A 18 2.956 -13.294 -1.712 1.00 0.00 N ATOM 268 CA PRO A 18 3.851 -13.804 -0.683 1.00 0.00 C ATOM 269 C PRO A 18 5.193 -14.214 -1.232 1.00 0.00 C ATOM 270 O PRO A 18 5.267 -15.131 -2.046 1.00 0.00 O ATOM 271 CB PRO A 18 3.074 -14.986 -0.111 1.00 0.00 C ATOM 272 CG PRO A 18 1.630 -14.473 -0.103 1.00 0.00 C ATOM 273 CD PRO A 18 1.561 -13.587 -1.358 1.00 0.00 C ATOM 0 HA PRO A 18 4.102 -13.054 0.067 1.00 0.00 H new ATOM 0 HB2 PRO A 18 3.183 -15.878 -0.728 1.00 0.00 H new ATOM 0 HB3 PRO A 18 3.416 -15.248 0.890 1.00 0.00 H new ATOM 0 HG2 PRO A 18 0.912 -15.292 -0.149 1.00 0.00 H new ATOM 0 HG3 PRO A 18 1.410 -13.906 0.802 1.00 0.00 H new ATOM 0 HD2 PRO A 18 1.049 -14.100 -2.172 1.00 0.00 H new ATOM 0 HD3 PRO A 18 1.006 -12.670 -1.160 1.00 0.00 H new ATOM 281 N GLY A 19 6.249 -13.489 -0.828 1.00 0.00 N ATOM 282 CA GLY A 19 7.523 -13.500 -1.491 1.00 0.00 C ATOM 283 C GLY A 19 7.937 -12.074 -1.382 1.00 0.00 C ATOM 284 O GLY A 19 9.071 -11.771 -1.026 1.00 0.00 O ATOM 0 H GLY A 19 6.220 -12.874 -0.015 1.00 0.00 H new ATOM 0 HA2 GLY A 19 8.232 -14.170 -1.003 1.00 0.00 H new ATOM 0 HA3 GLY A 19 7.441 -13.823 -2.529 1.00 0.00 H new ATOM 288 N SER A 20 6.960 -11.175 -1.642 1.00 0.00 N ATOM 289 CA SER A 20 7.018 -9.743 -1.474 1.00 0.00 C ATOM 290 C SER A 20 7.607 -9.037 -2.654 1.00 0.00 C ATOM 291 O SER A 20 7.541 -7.809 -2.696 1.00 0.00 O ATOM 292 CB SER A 20 7.661 -9.203 -0.167 1.00 0.00 C ATOM 293 OG SER A 20 6.932 -9.632 0.981 1.00 0.00 O ATOM 0 H SER A 20 6.053 -11.475 -2.000 1.00 0.00 H new ATOM 0 HA SER A 20 5.958 -9.504 -1.386 1.00 0.00 H new ATOM 0 HB2 SER A 20 8.692 -9.548 -0.096 1.00 0.00 H new ATOM 0 HB3 SER A 20 7.691 -8.114 -0.196 1.00 0.00 H new ATOM 0 HG SER A 20 6.007 -9.831 0.726 1.00 0.00 H new ATOM 299 N SER A 21 8.161 -9.765 -3.655 1.00 0.00 N ATOM 300 CA SER A 21 8.924 -9.228 -4.761 1.00 0.00 C ATOM 301 C SER A 21 8.225 -8.101 -5.488 1.00 0.00 C ATOM 302 O SER A 21 8.779 -7.022 -5.715 1.00 0.00 O ATOM 303 CB SER A 21 9.241 -10.356 -5.780 1.00 0.00 C ATOM 304 OG SER A 21 9.469 -11.593 -5.100 1.00 0.00 O ATOM 0 H SER A 21 8.073 -10.780 -3.696 1.00 0.00 H new ATOM 0 HA SER A 21 9.837 -8.819 -4.328 1.00 0.00 H new ATOM 0 HB2 SER A 21 8.413 -10.466 -6.480 1.00 0.00 H new ATOM 0 HB3 SER A 21 10.120 -10.089 -6.366 1.00 0.00 H new ATOM 0 HG SER A 21 9.666 -12.295 -5.755 1.00 0.00 H new ATOM 310 N GLY A 22 6.946 -8.341 -5.848 1.00 0.00 N ATOM 311 CA GLY A 22 6.155 -7.396 -6.596 1.00 0.00 C ATOM 312 C GLY A 22 5.789 -6.224 -5.744 1.00 0.00 C ATOM 313 O GLY A 22 5.812 -5.089 -6.202 1.00 0.00 O ATOM 0 H GLY A 22 6.451 -9.203 -5.618 1.00 0.00 H new ATOM 0 HA2 GLY A 22 6.713 -7.057 -7.469 1.00 0.00 H new ATOM 0 HA3 GLY A 22 5.251 -7.881 -6.964 1.00 0.00 H new ATOM 317 N CYS A 23 5.467 -6.464 -4.453 1.00 0.00 N ATOM 318 CA CYS A 23 5.049 -5.427 -3.528 1.00 0.00 C ATOM 319 C CYS A 23 6.173 -4.481 -3.294 1.00 0.00 C ATOM 320 O CYS A 23 5.971 -3.274 -3.375 1.00 0.00 O ATOM 321 CB CYS A 23 4.586 -6.010 -2.173 1.00 0.00 C ATOM 322 SG CYS A 23 4.495 -4.935 -0.697 1.00 0.00 S ATOM 0 H CYS A 23 5.495 -7.395 -4.037 1.00 0.00 H new ATOM 0 HA CYS A 23 4.203 -4.909 -3.979 1.00 0.00 H new ATOM 0 HB2 CYS A 23 3.594 -6.436 -2.325 1.00 0.00 H new ATOM 0 HB3 CYS A 23 5.254 -6.837 -1.931 1.00 0.00 H new ATOM 327 N ASP A 24 7.387 -5.000 -3.027 1.00 0.00 N ATOM 328 CA ASP A 24 8.541 -4.174 -2.749 1.00 0.00 C ATOM 329 C ASP A 24 8.854 -3.306 -3.954 1.00 0.00 C ATOM 330 O ASP A 24 9.137 -2.117 -3.832 1.00 0.00 O ATOM 331 CB ASP A 24 9.774 -5.033 -2.360 1.00 0.00 C ATOM 332 CG ASP A 24 10.892 -4.201 -1.723 1.00 0.00 C ATOM 333 OD1 ASP A 24 10.631 -3.032 -1.337 1.00 0.00 O ATOM 334 OD2 ASP A 24 12.025 -4.740 -1.610 1.00 0.00 O ATOM 0 H ASP A 24 7.578 -6.002 -3.002 1.00 0.00 H new ATOM 0 HA ASP A 24 8.307 -3.535 -1.898 1.00 0.00 H new ATOM 0 HB2 ASP A 24 9.464 -5.813 -1.664 1.00 0.00 H new ATOM 0 HB3 ASP A 24 10.159 -5.533 -3.249 1.00 0.00 H new ATOM 339 N THR A 25 8.730 -3.886 -5.164 1.00 0.00 N ATOM 340 CA THR A 25 8.889 -3.171 -6.410 1.00 0.00 C ATOM 341 C THR A 25 7.828 -2.088 -6.555 1.00 0.00 C ATOM 342 O THR A 25 8.153 -0.938 -6.856 1.00 0.00 O ATOM 343 CB THR A 25 8.818 -4.119 -7.596 1.00 0.00 C ATOM 344 OG1 THR A 25 9.686 -5.238 -7.404 1.00 0.00 O ATOM 345 CG2 THR A 25 9.247 -3.396 -8.889 1.00 0.00 C ATOM 0 H THR A 25 8.514 -4.875 -5.287 1.00 0.00 H new ATOM 0 HA THR A 25 9.873 -2.702 -6.395 1.00 0.00 H new ATOM 0 HB THR A 25 7.787 -4.461 -7.680 1.00 0.00 H new ATOM 0 HG1 THR A 25 9.204 -5.949 -6.932 1.00 0.00 H new ATOM 0 HG21 THR A 25 9.191 -4.088 -9.729 1.00 0.00 H new ATOM 0 HG22 THR A 25 8.583 -2.551 -9.071 1.00 0.00 H new ATOM 0 HG23 THR A 25 10.271 -3.037 -8.783 1.00 0.00 H new ATOM 353 N LEU A 26 6.534 -2.425 -6.321 1.00 0.00 N ATOM 354 CA LEU A 26 5.414 -1.509 -6.463 1.00 0.00 C ATOM 355 C LEU A 26 5.500 -0.392 -5.462 1.00 0.00 C ATOM 356 O LEU A 26 5.153 0.754 -5.736 1.00 0.00 O ATOM 357 CB LEU A 26 4.048 -2.193 -6.224 1.00 0.00 C ATOM 358 CG LEU A 26 3.603 -3.117 -7.376 1.00 0.00 C ATOM 359 CD1 LEU A 26 2.551 -4.133 -6.891 1.00 0.00 C ATOM 360 CD2 LEU A 26 3.103 -2.305 -8.584 1.00 0.00 C ATOM 0 H LEU A 26 6.254 -3.360 -6.024 1.00 0.00 H new ATOM 0 HA LEU A 26 5.476 -1.142 -7.488 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.100 -2.775 -5.304 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.289 -1.425 -6.073 1.00 0.00 H new ATOM 0 HG LEU A 26 4.473 -3.682 -7.711 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.253 -4.773 -7.722 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.976 -4.745 -6.095 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.678 -3.601 -6.512 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.797 -2.986 -9.378 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.253 -1.692 -8.284 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.904 -1.661 -8.947 1.00 0.00 H new ATOM 372 N CYS A 27 5.985 -0.730 -4.258 1.00 0.00 N ATOM 373 CA CYS A 27 6.234 0.197 -3.184 1.00 0.00 C ATOM 374 C CYS A 27 7.245 1.237 -3.608 1.00 0.00 C ATOM 375 O CYS A 27 7.056 2.428 -3.355 1.00 0.00 O ATOM 376 CB CYS A 27 6.729 -0.536 -1.908 1.00 0.00 C ATOM 377 SG CYS A 27 6.842 0.532 -0.452 1.00 0.00 S ATOM 0 H CYS A 27 6.217 -1.693 -4.014 1.00 0.00 H new ATOM 0 HA CYS A 27 5.292 0.691 -2.948 1.00 0.00 H new ATOM 0 HB2 CYS A 27 6.053 -1.363 -1.689 1.00 0.00 H new ATOM 0 HB3 CYS A 27 7.709 -0.970 -2.106 1.00 0.00 H new ATOM 382 N LYS A 28 8.330 0.819 -4.298 1.00 0.00 N ATOM 383 CA LYS A 28 9.399 1.727 -4.663 1.00 0.00 C ATOM 384 C LYS A 28 8.958 2.730 -5.695 1.00 0.00 C ATOM 385 O LYS A 28 9.271 3.915 -5.583 1.00 0.00 O ATOM 386 CB LYS A 28 10.684 1.015 -5.152 1.00 0.00 C ATOM 387 CG LYS A 28 11.471 0.384 -3.991 1.00 0.00 C ATOM 388 CD LYS A 28 12.781 -0.294 -4.427 1.00 0.00 C ATOM 389 CE LYS A 28 13.743 -0.579 -3.260 1.00 0.00 C ATOM 390 NZ LYS A 28 13.125 -1.457 -2.243 1.00 0.00 N ATOM 0 H LYS A 28 8.472 -0.143 -4.605 1.00 0.00 H new ATOM 0 HA LYS A 28 9.647 2.246 -3.737 1.00 0.00 H new ATOM 0 HB2 LYS A 28 10.418 0.241 -5.872 1.00 0.00 H new ATOM 0 HB3 LYS A 28 11.319 1.731 -5.673 1.00 0.00 H new ATOM 0 HG2 LYS A 28 11.699 1.156 -3.257 1.00 0.00 H new ATOM 0 HG3 LYS A 28 10.839 -0.352 -3.494 1.00 0.00 H new ATOM 0 HD2 LYS A 28 12.545 -1.232 -4.930 1.00 0.00 H new ATOM 0 HD3 LYS A 28 13.285 0.341 -5.156 1.00 0.00 H new ATOM 0 HE2 LYS A 28 14.650 -1.047 -3.642 1.00 0.00 H new ATOM 0 HE3 LYS A 28 14.041 0.361 -2.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 13.770 -1.558 -1.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 12.229 -1.039 -1.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 12.941 -2.393 -2.658 1.00 0.00 H new ATOM 404 N GLU A 29 8.177 2.300 -6.710 1.00 0.00 N ATOM 405 CA GLU A 29 7.731 3.190 -7.769 1.00 0.00 C ATOM 406 C GLU A 29 6.680 4.174 -7.294 1.00 0.00 C ATOM 407 O GLU A 29 6.369 5.140 -7.987 1.00 0.00 O ATOM 408 CB GLU A 29 7.191 2.435 -9.010 1.00 0.00 C ATOM 409 CG GLU A 29 6.077 1.431 -8.689 1.00 0.00 C ATOM 410 CD GLU A 29 5.633 0.690 -9.947 1.00 0.00 C ATOM 411 OE1 GLU A 29 6.496 0.031 -10.585 1.00 0.00 O ATOM 412 OE2 GLU A 29 4.419 0.760 -10.277 1.00 0.00 O ATOM 0 H GLU A 29 7.850 1.339 -6.805 1.00 0.00 H new ATOM 0 HA GLU A 29 8.626 3.739 -8.063 1.00 0.00 H new ATOM 0 HB2 GLU A 29 6.816 3.162 -9.730 1.00 0.00 H new ATOM 0 HB3 GLU A 29 8.015 1.907 -9.490 1.00 0.00 H new ATOM 0 HG2 GLU A 29 6.430 0.716 -7.946 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.227 1.953 -8.250 1.00 0.00 H new ATOM 419 N LYS A 30 6.124 3.960 -6.083 1.00 0.00 N ATOM 420 CA LYS A 30 5.198 4.879 -5.457 1.00 0.00 C ATOM 421 C LYS A 30 5.925 5.722 -4.443 1.00 0.00 C ATOM 422 O LYS A 30 5.336 6.609 -3.828 1.00 0.00 O ATOM 423 CB LYS A 30 4.036 4.124 -4.775 1.00 0.00 C ATOM 424 CG LYS A 30 3.070 3.510 -5.808 1.00 0.00 C ATOM 425 CD LYS A 30 2.098 4.544 -6.407 1.00 0.00 C ATOM 426 CE LYS A 30 1.284 4.028 -7.600 1.00 0.00 C ATOM 427 NZ LYS A 30 2.156 3.731 -8.762 1.00 0.00 N ATOM 0 H LYS A 30 6.318 3.131 -5.521 1.00 0.00 H new ATOM 0 HA LYS A 30 4.777 5.520 -6.232 1.00 0.00 H new ATOM 0 HB2 LYS A 30 4.438 3.335 -4.139 1.00 0.00 H new ATOM 0 HB3 LYS A 30 3.489 4.808 -4.127 1.00 0.00 H new ATOM 0 HG2 LYS A 30 3.648 3.053 -6.612 1.00 0.00 H new ATOM 0 HG3 LYS A 30 2.498 2.713 -5.334 1.00 0.00 H new ATOM 0 HD2 LYS A 30 1.410 4.873 -5.628 1.00 0.00 H new ATOM 0 HD3 LYS A 30 2.666 5.420 -6.721 1.00 0.00 H new ATOM 0 HE2 LYS A 30 0.742 3.128 -7.310 1.00 0.00 H new ATOM 0 HE3 LYS A 30 0.539 4.772 -7.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 1.568 3.548 -9.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 2.778 4.544 -8.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 2.735 2.892 -8.556 1.00 0.00 H new ATOM 441 N GLY A 31 7.243 5.487 -4.281 1.00 0.00 N ATOM 442 CA GLY A 31 8.103 6.340 -3.507 1.00 0.00 C ATOM 443 C GLY A 31 8.151 5.902 -2.083 1.00 0.00 C ATOM 444 O GLY A 31 8.367 6.735 -1.207 1.00 0.00 O ATOM 0 H GLY A 31 7.723 4.688 -4.696 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.108 6.328 -3.929 1.00 0.00 H new ATOM 0 HA3 GLY A 31 7.746 7.369 -3.563 1.00 0.00 H new ATOM 448 N GLY A 32 7.951 4.588 -1.815 1.00 0.00 N ATOM 449 CA GLY A 32 8.179 4.019 -0.509 1.00 0.00 C ATOM 450 C GLY A 32 9.549 3.432 -0.545 1.00 0.00 C ATOM 451 O GLY A 32 10.045 3.058 -1.607 1.00 0.00 O ATOM 0 H GLY A 32 7.628 3.915 -2.510 1.00 0.00 H new ATOM 0 HA2 GLY A 32 8.102 4.781 0.267 1.00 0.00 H new ATOM 0 HA3 GLY A 32 7.434 3.256 -0.281 1.00 0.00 H new ATOM 455 N THR A 33 10.229 3.352 0.615 1.00 0.00 N ATOM 456 CA THR A 33 11.641 3.063 0.641 1.00 0.00 C ATOM 457 C THR A 33 11.883 1.581 0.498 1.00 0.00 C ATOM 458 O THR A 33 12.823 1.138 -0.162 1.00 0.00 O ATOM 459 CB THR A 33 12.282 3.630 1.894 1.00 0.00 C ATOM 460 OG1 THR A 33 11.535 3.298 3.065 1.00 0.00 O ATOM 461 CG2 THR A 33 12.292 5.166 1.740 1.00 0.00 C ATOM 0 H THR A 33 9.808 3.486 1.534 1.00 0.00 H new ATOM 0 HA THR A 33 12.115 3.551 -0.211 1.00 0.00 H new ATOM 0 HB THR A 33 13.284 3.215 2.007 1.00 0.00 H new ATOM 0 HG1 THR A 33 11.977 3.677 3.853 1.00 0.00 H new ATOM 0 HG21 THR A 33 12.746 5.617 2.622 1.00 0.00 H new ATOM 0 HG22 THR A 33 12.868 5.439 0.856 1.00 0.00 H new ATOM 0 HG23 THR A 33 11.269 5.528 1.633 1.00 0.00 H new ATOM 469 N SER A 34 11.034 0.756 1.131 1.00 0.00 N ATOM 470 CA SER A 34 10.962 -0.645 0.871 1.00 0.00 C ATOM 471 C SER A 34 9.608 -0.912 1.433 1.00 0.00 C ATOM 472 O SER A 34 9.009 -0.002 2.019 1.00 0.00 O ATOM 473 CB SER A 34 12.065 -1.497 1.545 1.00 0.00 C ATOM 474 OG SER A 34 13.319 -1.241 0.915 1.00 0.00 O ATOM 0 H SER A 34 10.378 1.073 1.845 1.00 0.00 H new ATOM 0 HA SER A 34 11.115 -0.910 -0.175 1.00 0.00 H new ATOM 0 HB2 SER A 34 12.125 -1.259 2.607 1.00 0.00 H new ATOM 0 HB3 SER A 34 11.818 -2.556 1.469 1.00 0.00 H new ATOM 0 HG SER A 34 13.219 -0.507 0.273 1.00 0.00 H new ATOM 480 N GLY A 35 9.094 -2.142 1.256 1.00 0.00 N ATOM 481 CA GLY A 35 7.758 -2.489 1.606 1.00 0.00 C ATOM 482 C GLY A 35 7.850 -3.961 1.480 1.00 0.00 C ATOM 483 O GLY A 35 8.868 -4.442 0.980 1.00 0.00 O ATOM 0 H GLY A 35 9.626 -2.916 0.857 1.00 0.00 H new ATOM 0 HA2 GLY A 35 7.492 -2.170 2.614 1.00 0.00 H new ATOM 0 HA3 GLY A 35 7.021 -2.055 0.930 1.00 0.00 H new ATOM 487 N HIS A 36 6.827 -4.699 1.955 1.00 0.00 N ATOM 488 CA HIS A 36 6.846 -6.133 2.036 1.00 0.00 C ATOM 489 C HIS A 36 5.392 -6.418 2.217 1.00 0.00 C ATOM 490 O HIS A 36 4.630 -5.459 2.378 1.00 0.00 O ATOM 491 CB HIS A 36 7.649 -6.711 3.232 1.00 0.00 C ATOM 492 CG HIS A 36 7.198 -6.224 4.590 1.00 0.00 C ATOM 493 ND1 HIS A 36 6.458 -6.848 5.537 1.00 0.00 N flip ATOM 494 CD2 HIS A 36 7.445 -4.956 5.046 1.00 0.00 C flip ATOM 495 CE1 HIS A 36 6.262 -5.951 6.552 1.00 0.00 C flip ATOM 496 NE2 HIS A 36 6.868 -4.817 6.232 1.00 0.00 N flip ATOM 0 H HIS A 36 5.958 -4.286 2.294 1.00 0.00 H new ATOM 0 HA HIS A 36 7.333 -6.583 1.171 1.00 0.00 H new ATOM 0 HB2 HIS A 36 7.577 -7.798 3.209 1.00 0.00 H new ATOM 0 HB3 HIS A 36 8.701 -6.458 3.102 1.00 0.00 H new ATOM 0 HD2 HIS A 36 8.013 -4.198 4.528 1.00 0.00 H new ATOM 0 HE1 HIS A 36 5.707 -6.136 7.460 1.00 0.00 H new ATOM 0 HE2 HIS A 36 6.888 -3.973 6.805 1.00 0.00 H new ATOM 505 N CYS A 37 4.956 -7.702 2.186 1.00 0.00 N ATOM 506 CA CYS A 37 3.542 -8.011 2.304 1.00 0.00 C ATOM 507 C CYS A 37 3.064 -7.789 3.704 1.00 0.00 C ATOM 508 O CYS A 37 3.831 -7.892 4.660 1.00 0.00 O ATOM 509 CB CYS A 37 3.128 -9.486 2.038 1.00 0.00 C ATOM 510 SG CYS A 37 3.644 -10.197 0.461 1.00 0.00 S ATOM 0 H CYS A 37 5.564 -8.514 2.082 1.00 0.00 H new ATOM 0 HA CYS A 37 3.111 -7.358 1.545 1.00 0.00 H new ATOM 0 HB2 CYS A 37 3.533 -10.104 2.839 1.00 0.00 H new ATOM 0 HB3 CYS A 37 2.042 -9.552 2.103 1.00 0.00 H new ATOM 515 N GLY A 38 1.752 -7.552 3.868 1.00 0.00 N ATOM 516 CA GLY A 38 1.178 -7.573 5.167 1.00 0.00 C ATOM 517 C GLY A 38 -0.263 -7.564 4.817 1.00 0.00 C ATOM 518 O GLY A 38 -0.610 -7.554 3.633 1.00 0.00 O ATOM 0 H GLY A 38 1.100 -7.349 3.110 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.463 -8.460 5.733 1.00 0.00 H new ATOM 0 HA3 GLY A 38 1.467 -6.707 5.763 1.00 0.00 H new ATOM 522 N PHE A 39 -1.122 -7.567 5.846 1.00 0.00 N ATOM 523 CA PHE A 39 -2.542 -7.656 5.757 1.00 0.00 C ATOM 524 C PHE A 39 -2.830 -6.766 6.924 1.00 0.00 C ATOM 525 O PHE A 39 -1.955 -6.642 7.787 1.00 0.00 O ATOM 526 CB PHE A 39 -3.001 -9.122 6.025 1.00 0.00 C ATOM 527 CG PHE A 39 -4.483 -9.386 6.052 1.00 0.00 C ATOM 528 CD1 PHE A 39 -5.415 -8.591 5.364 1.00 0.00 C ATOM 529 CD2 PHE A 39 -4.948 -10.513 6.755 1.00 0.00 C ATOM 530 CE1 PHE A 39 -6.776 -8.914 5.384 1.00 0.00 C ATOM 531 CE2 PHE A 39 -6.307 -10.846 6.758 1.00 0.00 C ATOM 532 CZ PHE A 39 -7.224 -10.049 6.067 1.00 0.00 C ATOM 0 H PHE A 39 -0.799 -7.502 6.811 1.00 0.00 H new ATOM 0 HA PHE A 39 -3.016 -7.393 4.812 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -2.558 -9.760 5.260 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -2.585 -9.437 6.982 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -5.078 -7.724 4.815 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -4.247 -11.129 7.299 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -7.485 -8.283 4.869 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -6.648 -11.719 7.294 1.00 0.00 H new ATOM 0 HZ PHE A 39 -8.272 -10.308 6.061 1.00 0.00 H new ATOM 542 N LYS A 40 -4.003 -6.105 6.976 1.00 0.00 N ATOM 543 CA LYS A 40 -4.339 -5.214 8.059 1.00 0.00 C ATOM 544 C LYS A 40 -5.762 -5.474 8.425 1.00 0.00 C ATOM 545 O LYS A 40 -6.410 -4.646 9.059 1.00 0.00 O ATOM 546 CB LYS A 40 -4.130 -3.716 7.695 1.00 0.00 C ATOM 547 CG LYS A 40 -4.780 -3.173 6.399 1.00 0.00 C ATOM 548 CD LYS A 40 -6.238 -2.673 6.513 1.00 0.00 C ATOM 549 CE LYS A 40 -6.484 -1.500 7.479 1.00 0.00 C ATOM 550 NZ LYS A 40 -5.717 -0.297 7.087 1.00 0.00 N ATOM 0 H LYS A 40 -4.728 -6.186 6.263 1.00 0.00 H new ATOM 0 HA LYS A 40 -3.673 -5.408 8.900 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -4.501 -3.118 8.527 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.057 -3.538 7.627 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -4.166 -2.352 6.028 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -4.748 -3.960 5.646 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -6.576 -2.375 5.520 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -6.863 -3.510 6.825 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -7.548 -1.263 7.499 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -6.204 -1.796 8.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -6.200 0.553 7.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -4.761 -0.347 7.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -5.649 -0.251 6.050 1.00 0.00 H new ATOM 564 N VAL A 41 -6.288 -6.655 8.018 1.00 0.00 N ATOM 565 CA VAL A 41 -7.690 -6.997 8.043 1.00 0.00 C ATOM 566 C VAL A 41 -8.381 -6.008 7.127 1.00 0.00 C ATOM 567 O VAL A 41 -7.808 -5.624 6.103 1.00 0.00 O ATOM 568 CB VAL A 41 -8.257 -7.201 9.446 1.00 0.00 C ATOM 569 CG1 VAL A 41 -9.542 -8.060 9.422 1.00 0.00 C ATOM 570 CG2 VAL A 41 -7.199 -7.920 10.319 1.00 0.00 C ATOM 0 H VAL A 41 -5.706 -7.409 7.653 1.00 0.00 H new ATOM 0 HA VAL A 41 -7.880 -7.996 7.651 1.00 0.00 H new ATOM 0 HB VAL A 41 -8.504 -6.221 9.856 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -9.916 -8.183 10.438 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -10.299 -7.565 8.814 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -9.318 -9.038 8.997 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -7.596 -8.069 11.323 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -6.958 -8.887 9.876 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -6.297 -7.311 10.373 1.00 0.00 H new ATOM 580 N GLY A 42 -9.599 -5.559 7.472 1.00 0.00 N ATOM 581 CA GLY A 42 -10.260 -4.445 6.836 1.00 0.00 C ATOM 582 C GLY A 42 -10.812 -4.820 5.498 1.00 0.00 C ATOM 583 O GLY A 42 -12.018 -4.969 5.326 1.00 0.00 O ATOM 0 H GLY A 42 -10.150 -5.981 8.219 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -11.067 -4.087 7.475 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -9.556 -3.621 6.721 1.00 0.00 H new ATOM 587 N HIS A 43 -9.914 -4.958 4.507 1.00 0.00 N ATOM 588 CA HIS A 43 -10.245 -5.227 3.135 1.00 0.00 C ATOM 589 C HIS A 43 -9.729 -6.606 2.837 1.00 0.00 C ATOM 590 O HIS A 43 -10.496 -7.561 2.756 1.00 0.00 O ATOM 591 CB HIS A 43 -9.605 -4.223 2.144 1.00 0.00 C ATOM 592 CG HIS A 43 -10.189 -2.834 2.180 1.00 0.00 C ATOM 593 ND1 HIS A 43 -9.649 -1.806 1.455 1.00 0.00 N ATOM 594 CD2 HIS A 43 -11.290 -2.344 2.800 1.00 0.00 C ATOM 595 CE1 HIS A 43 -10.394 -0.724 1.631 1.00 0.00 C ATOM 596 NE2 HIS A 43 -11.399 -1.027 2.441 1.00 0.00 N ATOM 0 H HIS A 43 -8.910 -4.879 4.666 1.00 0.00 H new ATOM 0 HA HIS A 43 -11.324 -5.137 3.007 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -8.538 -4.158 2.355 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -9.707 -4.618 1.133 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -11.955 -2.889 3.453 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -10.212 0.244 1.188 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -12.131 -0.386 2.746 1.00 0.00 H new ATOM 605 N GLY A 44 -8.407 -6.775 2.644 1.00 0.00 N ATOM 606 CA GLY A 44 -7.890 -8.005 2.126 1.00 0.00 C ATOM 607 C GLY A 44 -6.437 -7.751 2.223 1.00 0.00 C ATOM 608 O GLY A 44 -6.052 -6.706 2.759 1.00 0.00 O ATOM 0 H GLY A 44 -7.701 -6.066 2.845 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.200 -8.866 2.717 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -8.211 -8.190 1.101 1.00 0.00 H new ATOM 612 N LEU A 45 -5.621 -8.696 1.691 1.00 0.00 N ATOM 613 CA LEU A 45 -4.173 -8.659 1.606 1.00 0.00 C ATOM 614 C LEU A 45 -3.763 -7.359 0.960 1.00 0.00 C ATOM 615 O LEU A 45 -4.385 -6.952 -0.018 1.00 0.00 O ATOM 616 CB LEU A 45 -3.666 -9.843 0.735 1.00 0.00 C ATOM 617 CG LEU A 45 -2.137 -9.978 0.520 1.00 0.00 C ATOM 618 CD1 LEU A 45 -1.368 -10.349 1.800 1.00 0.00 C ATOM 619 CD2 LEU A 45 -1.839 -11.010 -0.585 1.00 0.00 C ATOM 0 H LEU A 45 -6.001 -9.553 1.289 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.743 -8.739 2.605 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -4.024 -10.768 1.186 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.136 -9.764 -0.245 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.786 -8.992 0.216 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.304 -10.427 1.576 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.524 -9.578 2.555 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.730 -11.305 2.178 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.761 -11.093 -0.724 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -2.244 -11.980 -0.296 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.301 -10.688 -1.518 1.00 0.00 H new ATOM 631 N ALA A 46 -2.748 -6.666 1.515 1.00 0.00 N ATOM 632 CA ALA A 46 -2.446 -5.310 1.143 1.00 0.00 C ATOM 633 C ALA A 46 -0.984 -5.351 0.863 1.00 0.00 C ATOM 634 O ALA A 46 -0.423 -6.442 0.780 1.00 0.00 O ATOM 635 CB ALA A 46 -2.755 -4.335 2.297 1.00 0.00 C ATOM 0 H ALA A 46 -2.129 -7.048 2.230 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.037 -4.960 0.296 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.517 -3.317 1.987 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -3.813 -4.398 2.553 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.154 -4.599 3.167 1.00 0.00 H new ATOM 641 N CYS A 47 -0.297 -4.193 0.723 1.00 0.00 N ATOM 642 CA CYS A 47 1.146 -4.253 0.617 1.00 0.00 C ATOM 643 C CYS A 47 1.500 -3.235 1.647 1.00 0.00 C ATOM 644 O CYS A 47 0.658 -2.392 1.946 1.00 0.00 O ATOM 645 CB CYS A 47 1.605 -3.968 -0.847 1.00 0.00 C ATOM 646 SG CYS A 47 3.301 -3.387 -1.173 1.00 0.00 S ATOM 0 H CYS A 47 -0.708 -3.260 0.684 1.00 0.00 H new ATOM 0 HA CYS A 47 1.636 -5.209 0.801 1.00 0.00 H new ATOM 0 HB2 CYS A 47 1.462 -4.886 -1.416 1.00 0.00 H new ATOM 0 HB3 CYS A 47 0.923 -3.226 -1.262 1.00 0.00 H new ATOM 651 N TRP A 48 2.696 -3.315 2.275 1.00 0.00 N ATOM 652 CA TRP A 48 3.122 -2.387 3.299 1.00 0.00 C ATOM 653 C TRP A 48 4.142 -1.518 2.621 1.00 0.00 C ATOM 654 O TRP A 48 4.794 -1.980 1.687 1.00 0.00 O ATOM 655 CB TRP A 48 3.724 -3.100 4.552 1.00 0.00 C ATOM 656 CG TRP A 48 4.463 -2.209 5.540 1.00 0.00 C ATOM 657 CD1 TRP A 48 5.788 -1.872 5.512 1.00 0.00 C ATOM 658 CD2 TRP A 48 3.865 -1.414 6.577 1.00 0.00 C ATOM 659 NE1 TRP A 48 6.056 -0.921 6.459 1.00 0.00 N ATOM 660 CE2 TRP A 48 4.887 -0.605 7.117 1.00 0.00 C ATOM 661 CE3 TRP A 48 2.556 -1.321 7.039 1.00 0.00 C ATOM 662 CZ2 TRP A 48 4.616 0.320 8.119 1.00 0.00 C ATOM 663 CZ3 TRP A 48 2.281 -0.391 8.055 1.00 0.00 C ATOM 664 CH2 TRP A 48 3.295 0.421 8.582 1.00 0.00 C ATOM 0 H TRP A 48 3.384 -4.039 2.069 1.00 0.00 H new ATOM 0 HA TRP A 48 2.279 -1.818 3.691 1.00 0.00 H new ATOM 0 HB2 TRP A 48 2.915 -3.603 5.082 1.00 0.00 H new ATOM 0 HB3 TRP A 48 4.410 -3.875 4.209 1.00 0.00 H new ATOM 0 HD1 TRP A 48 6.519 -2.296 4.839 1.00 0.00 H new ATOM 0 HE1 TRP A 48 6.972 -0.513 6.647 1.00 0.00 H new ATOM 0 HE3 TRP A 48 1.775 -1.945 6.629 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 5.398 0.942 8.529 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 1.274 -0.300 8.436 1.00 0.00 H new ATOM 0 HH2 TRP A 48 3.056 1.135 9.356 1.00 0.00 H new ATOM 675 N CYS A 49 4.305 -0.250 3.076 1.00 0.00 N ATOM 676 CA CYS A 49 5.382 0.592 2.630 1.00 0.00 C ATOM 677 C CYS A 49 5.826 1.379 3.817 1.00 0.00 C ATOM 678 O CYS A 49 5.015 1.821 4.632 1.00 0.00 O ATOM 679 CB CYS A 49 4.986 1.650 1.577 1.00 0.00 C ATOM 680 SG CYS A 49 4.908 0.995 -0.103 1.00 0.00 S ATOM 0 H CYS A 49 3.685 0.190 3.756 1.00 0.00 H new ATOM 0 HA CYS A 49 6.126 -0.068 2.184 1.00 0.00 H new ATOM 0 HB2 CYS A 49 4.015 2.069 1.841 1.00 0.00 H new ATOM 0 HB3 CYS A 49 5.705 2.469 1.607 1.00 0.00 H new ATOM 685 N ASN A 50 7.148 1.635 3.893 1.00 0.00 N ATOM 686 CA ASN A 50 7.688 2.590 4.823 1.00 0.00 C ATOM 687 C ASN A 50 7.989 3.783 3.983 1.00 0.00 C ATOM 688 O ASN A 50 8.448 3.639 2.851 1.00 0.00 O ATOM 689 CB ASN A 50 9.014 2.173 5.516 1.00 0.00 C ATOM 690 CG ASN A 50 8.694 1.429 6.812 1.00 0.00 C ATOM 691 OD1 ASN A 50 8.453 0.216 6.807 1.00 0.00 O ATOM 692 ND2 ASN A 50 8.666 2.175 7.957 1.00 0.00 N ATOM 0 H ASN A 50 7.848 1.179 3.308 1.00 0.00 H new ATOM 0 HA ASN A 50 6.969 2.729 5.631 1.00 0.00 H new ATOM 0 HB2 ASN A 50 9.600 1.536 4.853 1.00 0.00 H new ATOM 0 HB3 ASN A 50 9.619 3.054 5.729 1.00 0.00 H new ATOM 0 HD21 ASN A 50 8.440 1.733 8.848 1.00 0.00 H new ATOM 0 HD22 ASN A 50 8.871 3.174 7.920 1.00 0.00 H new ATOM 699 N ALA A 51 7.740 4.972 4.574 1.00 0.00 N ATOM 700 CA ALA A 51 8.119 6.284 4.120 1.00 0.00 C ATOM 701 C ALA A 51 7.515 6.631 2.797 1.00 0.00 C ATOM 702 O ALA A 51 8.214 6.658 1.790 1.00 0.00 O ATOM 703 CB ALA A 51 9.642 6.515 4.102 1.00 0.00 C ATOM 0 H ALA A 51 7.224 5.018 5.453 1.00 0.00 H new ATOM 0 HA ALA A 51 7.707 6.964 4.866 1.00 0.00 H new ATOM 0 HB1 ALA A 51 9.853 7.525 3.749 1.00 0.00 H new ATOM 0 HB2 ALA A 51 10.041 6.392 5.109 1.00 0.00 H new ATOM 0 HB3 ALA A 51 10.112 5.792 3.435 1.00 0.00 H new ATOM 709 N LEU A 52 6.203 6.937 2.780 1.00 0.00 N ATOM 710 CA LEU A 52 5.533 7.357 1.567 1.00 0.00 C ATOM 711 C LEU A 52 5.270 8.816 1.767 1.00 0.00 C ATOM 712 O LEU A 52 4.830 9.163 2.861 1.00 0.00 O ATOM 713 CB LEU A 52 4.161 6.683 1.330 1.00 0.00 C ATOM 714 CG LEU A 52 4.267 5.238 0.801 1.00 0.00 C ATOM 715 CD1 LEU A 52 2.908 4.525 0.882 1.00 0.00 C ATOM 716 CD2 LEU A 52 4.799 5.194 -0.640 1.00 0.00 C ATOM 0 H LEU A 52 5.599 6.896 3.601 1.00 0.00 H new ATOM 0 HA LEU A 52 6.159 7.097 0.713 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.601 6.679 2.265 1.00 0.00 H new ATOM 0 HB3 LEU A 52 3.590 7.280 0.619 1.00 0.00 H new ATOM 0 HG LEU A 52 4.980 4.716 1.438 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.008 3.508 0.503 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.574 4.495 1.919 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.177 5.066 0.281 1.00 0.00 H new ATOM 0 HD21 LEU A 52 4.858 4.158 -0.974 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.125 5.748 -1.294 1.00 0.00 H new ATOM 0 HD23 LEU A 52 5.791 5.644 -0.675 1.00 0.00 H new ATOM 728 N PRO A 53 5.505 9.718 0.825 1.00 0.00 N ATOM 729 CA PRO A 53 5.229 11.126 1.019 1.00 0.00 C ATOM 730 C PRO A 53 3.739 11.375 0.993 1.00 0.00 C ATOM 731 O PRO A 53 2.959 10.485 0.661 1.00 0.00 O ATOM 732 CB PRO A 53 5.953 11.816 -0.146 1.00 0.00 C ATOM 733 CG PRO A 53 6.062 10.753 -1.247 1.00 0.00 C ATOM 734 CD PRO A 53 6.109 9.433 -0.477 1.00 0.00 C ATOM 0 HA PRO A 53 5.572 11.505 1.982 1.00 0.00 H new ATOM 0 HB2 PRO A 53 5.396 12.686 -0.494 1.00 0.00 H new ATOM 0 HB3 PRO A 53 6.938 12.169 0.158 1.00 0.00 H new ATOM 0 HG2 PRO A 53 5.209 10.790 -1.925 1.00 0.00 H new ATOM 0 HG3 PRO A 53 6.957 10.895 -1.853 1.00 0.00 H new ATOM 0 HD2 PRO A 53 5.559 8.652 -1.002 1.00 0.00 H new ATOM 0 HD3 PRO A 53 7.134 9.080 -0.365 1.00 0.00 H new ATOM 742 N ASP A 54 3.336 12.600 1.366 1.00 0.00 N ATOM 743 CA ASP A 54 1.972 12.972 1.673 1.00 0.00 C ATOM 744 C ASP A 54 1.040 12.906 0.495 1.00 0.00 C ATOM 745 O ASP A 54 -0.178 12.900 0.658 1.00 0.00 O ATOM 746 CB ASP A 54 1.895 14.430 2.179 1.00 0.00 C ATOM 747 CG ASP A 54 2.668 14.601 3.490 1.00 0.00 C ATOM 748 OD1 ASP A 54 3.929 14.578 3.447 1.00 0.00 O ATOM 749 OD2 ASP A 54 2.009 14.763 4.550 1.00 0.00 O ATOM 0 H ASP A 54 3.987 13.379 1.462 1.00 0.00 H new ATOM 0 HA ASP A 54 1.664 12.247 2.427 1.00 0.00 H new ATOM 0 HB2 ASP A 54 2.302 15.102 1.423 1.00 0.00 H new ATOM 0 HB3 ASP A 54 0.853 14.712 2.329 1.00 0.00 H new ATOM 754 N ASN A 55 1.591 12.875 -0.730 1.00 0.00 N ATOM 755 CA ASN A 55 0.837 12.902 -1.959 1.00 0.00 C ATOM 756 C ASN A 55 0.378 11.524 -2.336 1.00 0.00 C ATOM 757 O ASN A 55 -0.379 11.367 -3.291 1.00 0.00 O ATOM 758 CB ASN A 55 1.646 13.480 -3.158 1.00 0.00 C ATOM 759 CG ASN A 55 3.002 12.772 -3.332 1.00 0.00 C ATOM 760 OD1 ASN A 55 3.834 12.844 -2.421 1.00 0.00 O ATOM 761 ND2 ASN A 55 3.222 12.100 -4.496 1.00 0.00 N ATOM 0 H ASN A 55 2.599 12.829 -0.878 1.00 0.00 H new ATOM 0 HA ASN A 55 -0.013 13.556 -1.764 1.00 0.00 H new ATOM 0 HB2 ASN A 55 1.063 13.376 -4.073 1.00 0.00 H new ATOM 0 HB3 ASN A 55 1.811 14.546 -3.004 1.00 0.00 H new ATOM 0 HD21 ASN A 55 4.110 11.623 -4.649 1.00 0.00 H new ATOM 0 HD22 ASN A 55 2.498 12.074 -5.214 1.00 0.00 H new ATOM 768 N VAL A 56 0.835 10.479 -1.621 1.00 0.00 N ATOM 769 CA VAL A 56 0.499 9.123 -1.956 1.00 0.00 C ATOM 770 C VAL A 56 -0.656 8.780 -1.070 1.00 0.00 C ATOM 771 O VAL A 56 -0.570 8.937 0.145 1.00 0.00 O ATOM 772 CB VAL A 56 1.652 8.166 -1.720 1.00 0.00 C ATOM 773 CG1 VAL A 56 1.365 6.831 -2.440 1.00 0.00 C ATOM 774 CG2 VAL A 56 2.945 8.845 -2.226 1.00 0.00 C ATOM 0 H VAL A 56 1.441 10.571 -0.806 1.00 0.00 H new ATOM 0 HA VAL A 56 0.260 9.033 -3.016 1.00 0.00 H new ATOM 0 HB VAL A 56 1.774 7.937 -0.661 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.192 6.142 -2.272 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.445 6.397 -2.048 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.254 7.011 -3.509 1.00 0.00 H new ATOM 0 HG21 VAL A 56 3.792 8.178 -2.068 1.00 0.00 H new ATOM 0 HG22 VAL A 56 2.849 9.064 -3.289 1.00 0.00 H new ATOM 0 HG23 VAL A 56 3.107 9.773 -1.678 1.00 0.00 H new ATOM 784 N GLY A 57 -1.784 8.312 -1.643 1.00 0.00 N ATOM 785 CA GLY A 57 -2.951 8.003 -0.860 1.00 0.00 C ATOM 786 C GLY A 57 -2.900 6.532 -0.683 1.00 0.00 C ATOM 787 O GLY A 57 -2.435 5.809 -1.566 1.00 0.00 O ATOM 0 H GLY A 57 -1.890 8.147 -2.644 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -2.933 8.519 0.100 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -3.864 8.310 -1.370 1.00 0.00 H new ATOM 791 N ILE A 58 -3.325 6.067 0.501 1.00 0.00 N ATOM 792 CA ILE A 58 -3.067 4.735 0.960 1.00 0.00 C ATOM 793 C ILE A 58 -4.387 4.182 1.417 1.00 0.00 C ATOM 794 O ILE A 58 -5.429 4.544 0.867 1.00 0.00 O ATOM 795 CB ILE A 58 -1.976 4.711 2.026 1.00 0.00 C ATOM 796 CG1 ILE A 58 -2.251 5.665 3.211 1.00 0.00 C ATOM 797 CG2 ILE A 58 -0.632 5.038 1.334 1.00 0.00 C ATOM 798 CD1 ILE A 58 -1.178 5.564 4.298 1.00 0.00 C ATOM 0 H ILE A 58 -3.863 6.630 1.160 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.668 4.101 0.168 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.948 3.717 2.473 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -2.299 6.691 2.845 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -3.225 5.434 3.642 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.169 5.028 2.073 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.427 4.292 0.566 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.690 6.025 0.875 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -1.415 6.253 5.109 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.147 4.545 4.685 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.207 5.822 3.876 1.00 0.00 H new ATOM 810 N ILE A 59 -4.386 3.260 2.419 1.00 0.00 N ATOM 811 CA ILE A 59 -5.621 2.728 2.954 1.00 0.00 C ATOM 812 C ILE A 59 -6.168 3.844 3.783 1.00 0.00 C ATOM 813 O ILE A 59 -5.521 4.296 4.726 1.00 0.00 O ATOM 814 CB ILE A 59 -5.575 1.491 3.858 1.00 0.00 C ATOM 815 CG1 ILE A 59 -4.387 0.543 3.607 1.00 0.00 C ATOM 816 CG2 ILE A 59 -6.942 0.777 3.730 1.00 0.00 C ATOM 817 CD1 ILE A 59 -4.257 -0.006 2.195 1.00 0.00 C ATOM 0 H ILE A 59 -3.541 2.888 2.853 1.00 0.00 H new ATOM 0 HA ILE A 59 -6.196 2.386 2.093 1.00 0.00 H new ATOM 0 HB ILE A 59 -5.401 1.822 4.882 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -3.467 1.072 3.856 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -4.467 -0.298 4.296 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -6.949 -0.112 4.361 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -7.736 1.453 4.047 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -7.105 0.486 2.692 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -3.387 -0.660 2.138 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -5.153 -0.572 1.941 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -4.138 0.819 1.493 1.00 0.00 H new ATOM 829 N VAL A 60 -7.343 4.348 3.403 1.00 0.00 N ATOM 830 CA VAL A 60 -7.961 5.459 4.058 1.00 0.00 C ATOM 831 C VAL A 60 -9.079 4.804 4.815 1.00 0.00 C ATOM 832 O VAL A 60 -10.034 4.292 4.225 1.00 0.00 O ATOM 833 CB VAL A 60 -8.384 6.511 3.043 1.00 0.00 C ATOM 834 CG1 VAL A 60 -9.407 7.502 3.619 1.00 0.00 C ATOM 835 CG2 VAL A 60 -7.109 7.216 2.528 1.00 0.00 C ATOM 0 H VAL A 60 -7.884 3.979 2.621 1.00 0.00 H new ATOM 0 HA VAL A 60 -7.319 6.026 4.732 1.00 0.00 H new ATOM 0 HB VAL A 60 -8.897 6.030 2.211 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -9.676 8.232 2.856 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -10.299 6.961 3.935 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -8.972 8.017 4.476 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -7.384 7.977 1.797 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -6.590 7.686 3.364 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.452 6.483 2.059 1.00 0.00 H new