USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 625 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 Single : A 5 THR OG1 : rot 78:sc= 0.204 USER MOD Single : A 6 LYS NZ :NH3+ 171:sc= -3.05! (180deg=-3.54!) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot -155:sc= 0.0706 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= -1.67 K(o=-1.7,f=-7.4!) USER MOD Single : A 34 SER OG : rot -86:sc= 0.194 USER MOD Single : A 37 LYS NZ :NH3+ 161:sc= -0.899 (180deg=-1.61!) USER MOD Single : A 39 SER OG : rot 95:sc= 0.346 USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.303 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -0.621 K(o=-0.62,f=-3.5!) USER MOD Single : A 70 ASN : amide:sc= -3.09! C(o=-3.1!,f=-1.7!) USER MOD Single : A 74 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.426) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.303) USER MOD Single : A 88 ASN : amide:sc= -1.21! K(o=-1.2!,f=-0.12) USER MOD Single : A 90 LYS NZ :NH3+ 149:sc= -0.0773 (180deg=-0.542) USER MOD ----------------------------------------------------------------- ATOM 43 N VAL A 4 -11.592 -1.146 -19.092 1.00 0.00 N ATOM 44 CA VAL A 4 -11.012 -0.989 -17.728 1.00 0.00 C ATOM 45 C VAL A 4 -10.534 0.452 -17.540 1.00 0.00 C ATOM 46 O VAL A 4 -10.768 1.307 -18.370 1.00 0.00 O ATOM 47 CB VAL A 4 -9.830 -1.945 -17.563 1.00 0.00 C ATOM 48 CG1 VAL A 4 -10.226 -3.338 -18.057 1.00 0.00 C ATOM 49 CG2 VAL A 4 -8.644 -1.433 -18.385 1.00 0.00 C ATOM 0 HA VAL A 4 -11.772 -1.220 -16.981 1.00 0.00 H new ATOM 0 HB VAL A 4 -9.550 -1.998 -16.511 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -9.383 -4.019 -17.939 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -11.072 -3.704 -17.475 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -10.505 -3.285 -19.109 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -7.800 -2.113 -18.269 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -8.926 -1.381 -19.437 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -8.361 -0.440 -18.035 1.00 0.00 H new ATOM 59 N THR A 5 -9.864 0.727 -16.454 1.00 0.00 N ATOM 60 CA THR A 5 -9.372 2.113 -16.215 1.00 0.00 C ATOM 61 C THR A 5 -8.038 2.057 -15.468 1.00 0.00 C ATOM 62 O THR A 5 -7.807 1.186 -14.652 1.00 0.00 O ATOM 63 CB THR A 5 -10.395 2.881 -15.376 1.00 0.00 C ATOM 64 OG1 THR A 5 -11.692 2.687 -15.923 1.00 0.00 O ATOM 65 CG2 THR A 5 -10.053 4.371 -15.387 1.00 0.00 C ATOM 0 H THR A 5 -9.637 0.053 -15.723 1.00 0.00 H new ATOM 0 HA THR A 5 -9.234 2.620 -17.170 1.00 0.00 H new ATOM 0 HB THR A 5 -10.373 2.514 -14.350 1.00 0.00 H new ATOM 0 HG1 THR A 5 -12.028 1.804 -15.663 1.00 0.00 H new ATOM 0 HG21 THR A 5 -10.783 4.916 -14.789 1.00 0.00 H new ATOM 0 HG22 THR A 5 -9.058 4.519 -14.968 1.00 0.00 H new ATOM 0 HG23 THR A 5 -10.074 4.742 -16.412 1.00 0.00 H new ATOM 73 N LYS A 6 -7.156 2.981 -15.738 1.00 0.00 N ATOM 74 CA LYS A 6 -5.839 2.980 -15.042 1.00 0.00 C ATOM 75 C LYS A 6 -5.725 4.227 -14.163 1.00 0.00 C ATOM 76 O LYS A 6 -6.023 5.326 -14.587 1.00 0.00 O ATOM 77 CB LYS A 6 -4.713 2.983 -16.079 1.00 0.00 C ATOM 78 CG LYS A 6 -4.811 1.725 -16.943 1.00 0.00 C ATOM 79 CD LYS A 6 -3.885 1.863 -18.153 1.00 0.00 C ATOM 80 CE LYS A 6 -2.434 1.948 -17.678 1.00 0.00 C ATOM 81 NZ LYS A 6 -2.274 1.157 -16.425 1.00 0.00 N ATOM 0 H LYS A 6 -7.291 3.736 -16.410 1.00 0.00 H new ATOM 0 HA LYS A 6 -5.758 2.088 -14.420 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -4.783 3.873 -16.705 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -3.745 3.020 -15.580 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -4.535 0.847 -16.359 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -5.839 1.577 -17.274 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -4.011 1.010 -18.820 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -4.145 2.755 -18.723 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -1.765 1.567 -18.449 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -2.158 2.988 -17.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -1.264 1.087 -16.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -2.782 1.628 -15.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -2.663 0.203 -16.565 1.00 0.00 H new ATOM 95 N TYR A 7 -5.297 4.066 -12.941 1.00 0.00 N ATOM 96 CA TYR A 7 -5.165 5.243 -12.037 1.00 0.00 C ATOM 97 C TYR A 7 -3.710 5.718 -12.030 1.00 0.00 C ATOM 98 O TYR A 7 -2.792 4.938 -11.879 1.00 0.00 O ATOM 99 CB TYR A 7 -5.579 4.845 -10.618 1.00 0.00 C ATOM 100 CG TYR A 7 -6.855 5.562 -10.242 1.00 0.00 C ATOM 101 CD1 TYR A 7 -7.918 5.622 -11.150 1.00 0.00 C ATOM 102 CD2 TYR A 7 -6.973 6.169 -8.986 1.00 0.00 C ATOM 103 CE1 TYR A 7 -9.100 6.287 -10.802 1.00 0.00 C ATOM 104 CE2 TYR A 7 -8.155 6.834 -8.637 1.00 0.00 C ATOM 105 CZ TYR A 7 -9.218 6.894 -9.545 1.00 0.00 C ATOM 106 OH TYR A 7 -10.383 7.549 -9.202 1.00 0.00 O ATOM 0 H TYR A 7 -5.033 3.171 -12.530 1.00 0.00 H new ATOM 0 HA TYR A 7 -5.809 6.048 -12.391 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -5.726 3.766 -10.560 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -4.787 5.097 -9.913 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -7.827 5.155 -12.120 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -6.152 6.124 -8.286 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -9.921 6.332 -11.503 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -8.246 7.300 -7.667 1.00 0.00 H new ATOM 0 HH TYR A 7 -10.299 7.912 -8.296 1.00 0.00 H new ATOM 116 N PHE A 8 -3.493 6.995 -12.190 1.00 0.00 N ATOM 117 CA PHE A 8 -2.098 7.519 -12.192 1.00 0.00 C ATOM 118 C PHE A 8 -1.682 7.864 -10.761 1.00 0.00 C ATOM 119 O PHE A 8 -2.489 8.271 -9.951 1.00 0.00 O ATOM 120 CB PHE A 8 -2.027 8.777 -13.062 1.00 0.00 C ATOM 121 CG PHE A 8 -1.280 8.468 -14.338 1.00 0.00 C ATOM 122 CD1 PHE A 8 -1.929 7.807 -15.387 1.00 0.00 C ATOM 123 CD2 PHE A 8 0.063 8.844 -14.472 1.00 0.00 C ATOM 124 CE1 PHE A 8 -1.238 7.520 -16.570 1.00 0.00 C ATOM 125 CE2 PHE A 8 0.755 8.557 -15.655 1.00 0.00 C ATOM 126 CZ PHE A 8 0.105 7.896 -16.703 1.00 0.00 C ATOM 0 H PHE A 8 -4.221 7.698 -12.319 1.00 0.00 H new ATOM 0 HA PHE A 8 -1.425 6.761 -12.594 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -3.032 9.129 -13.293 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -1.525 9.579 -12.520 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -2.964 7.518 -15.284 1.00 0.00 H new ATOM 0 HD2 PHE A 8 0.564 9.355 -13.663 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -1.739 7.010 -17.379 1.00 0.00 H new ATOM 0 HE2 PHE A 8 1.790 8.846 -15.759 1.00 0.00 H new ATOM 0 HZ PHE A 8 0.639 7.675 -17.615 1.00 0.00 H new ATOM 136 N TYR A 9 -0.426 7.703 -10.443 1.00 0.00 N ATOM 137 CA TYR A 9 0.039 8.022 -9.064 1.00 0.00 C ATOM 138 C TYR A 9 1.416 8.684 -9.131 1.00 0.00 C ATOM 139 O TYR A 9 2.410 8.045 -9.415 1.00 0.00 O ATOM 140 CB TYR A 9 0.133 6.731 -8.247 1.00 0.00 C ATOM 141 CG TYR A 9 0.748 7.031 -6.900 1.00 0.00 C ATOM 142 CD1 TYR A 9 -0.060 7.475 -5.846 1.00 0.00 C ATOM 143 CD2 TYR A 9 2.124 6.865 -6.706 1.00 0.00 C ATOM 144 CE1 TYR A 9 0.510 7.752 -4.598 1.00 0.00 C ATOM 145 CE2 TYR A 9 2.694 7.142 -5.457 1.00 0.00 C ATOM 146 CZ TYR A 9 1.886 7.586 -4.404 1.00 0.00 C ATOM 147 OH TYR A 9 2.447 7.860 -3.173 1.00 0.00 O ATOM 0 H TYR A 9 0.297 7.365 -11.078 1.00 0.00 H new ATOM 0 HA TYR A 9 -0.668 8.702 -8.590 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -0.858 6.297 -8.117 1.00 0.00 H new ATOM 0 HB3 TYR A 9 0.736 5.995 -8.778 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -1.122 7.604 -5.996 1.00 0.00 H new ATOM 0 HD2 TYR A 9 2.747 6.523 -7.520 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -0.112 8.094 -3.784 1.00 0.00 H new ATOM 0 HE2 TYR A 9 3.756 7.013 -5.307 1.00 0.00 H new ATOM 0 HH TYR A 9 3.412 7.692 -3.208 1.00 0.00 H new ATOM 157 N LYS A 10 1.485 9.962 -8.871 1.00 0.00 N ATOM 158 CA LYS A 10 2.797 10.663 -8.920 1.00 0.00 C ATOM 159 C LYS A 10 3.460 10.602 -7.542 1.00 0.00 C ATOM 160 O LYS A 10 3.229 11.441 -6.694 1.00 0.00 O ATOM 161 CB LYS A 10 2.581 12.125 -9.318 1.00 0.00 C ATOM 162 CG LYS A 10 3.774 12.613 -10.141 1.00 0.00 C ATOM 163 CD LYS A 10 3.755 14.142 -10.211 1.00 0.00 C ATOM 164 CE LYS A 10 4.442 14.601 -11.498 1.00 0.00 C ATOM 165 NZ LYS A 10 5.136 15.899 -11.255 1.00 0.00 N ATOM 0 H LYS A 10 0.688 10.550 -8.627 1.00 0.00 H new ATOM 0 HA LYS A 10 3.440 10.178 -9.655 1.00 0.00 H new ATOM 0 HB2 LYS A 10 1.662 12.223 -9.896 1.00 0.00 H new ATOM 0 HB3 LYS A 10 2.464 12.742 -8.427 1.00 0.00 H new ATOM 0 HG2 LYS A 10 4.705 12.271 -9.690 1.00 0.00 H new ATOM 0 HG3 LYS A 10 3.733 12.192 -11.146 1.00 0.00 H new ATOM 0 HD2 LYS A 10 2.728 14.505 -10.185 1.00 0.00 H new ATOM 0 HD3 LYS A 10 4.264 14.563 -9.344 1.00 0.00 H new ATOM 0 HE2 LYS A 10 5.159 13.849 -11.828 1.00 0.00 H new ATOM 0 HE3 LYS A 10 3.707 14.713 -12.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 5.603 16.212 -12.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 4.441 16.614 -10.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 5.848 15.777 -10.507 1.00 0.00 H new ATOM 179 N GLY A 11 4.281 9.615 -7.311 1.00 0.00 N ATOM 180 CA GLY A 11 4.957 9.501 -5.987 1.00 0.00 C ATOM 181 C GLY A 11 5.732 10.786 -5.696 1.00 0.00 C ATOM 182 O GLY A 11 5.869 11.646 -6.544 1.00 0.00 O ATOM 0 H GLY A 11 4.513 8.882 -7.981 1.00 0.00 H new ATOM 0 HA2 GLY A 11 4.219 9.324 -5.204 1.00 0.00 H new ATOM 0 HA3 GLY A 11 5.635 8.647 -5.985 1.00 0.00 H new ATOM 186 N GLU A 12 6.241 10.925 -4.502 1.00 0.00 N ATOM 187 CA GLU A 12 7.008 12.154 -4.157 1.00 0.00 C ATOM 188 C GLU A 12 8.207 12.289 -5.096 1.00 0.00 C ATOM 189 O GLU A 12 8.920 13.272 -5.072 1.00 0.00 O ATOM 190 CB GLU A 12 7.501 12.059 -2.711 1.00 0.00 C ATOM 191 CG GLU A 12 7.210 13.372 -1.984 1.00 0.00 C ATOM 192 CD GLU A 12 7.723 13.284 -0.545 1.00 0.00 C ATOM 193 OE1 GLU A 12 7.109 12.581 0.240 1.00 0.00 O ATOM 194 OE2 GLU A 12 8.721 13.921 -0.253 1.00 0.00 O ATOM 0 H GLU A 12 6.158 10.240 -3.751 1.00 0.00 H new ATOM 0 HA GLU A 12 6.363 13.026 -4.265 1.00 0.00 H new ATOM 0 HB2 GLU A 12 7.007 11.232 -2.201 1.00 0.00 H new ATOM 0 HB3 GLU A 12 8.571 11.851 -2.694 1.00 0.00 H new ATOM 0 HG2 GLU A 12 7.691 14.201 -2.503 1.00 0.00 H new ATOM 0 HG3 GLU A 12 6.139 13.572 -1.988 1.00 0.00 H new ATOM 201 N ASN A 13 8.437 11.308 -5.926 1.00 0.00 N ATOM 202 CA ASN A 13 9.590 11.380 -6.865 1.00 0.00 C ATOM 203 C ASN A 13 9.379 10.388 -8.010 1.00 0.00 C ATOM 204 O ASN A 13 9.412 10.747 -9.171 1.00 0.00 O ATOM 205 CB ASN A 13 10.879 11.030 -6.119 1.00 0.00 C ATOM 206 CG ASN A 13 12.086 11.361 -6.998 1.00 0.00 C ATOM 207 OD1 ASN A 13 12.423 12.514 -7.179 1.00 0.00 O ATOM 208 ND2 ASN A 13 12.756 10.391 -7.557 1.00 0.00 N ATOM 0 H ASN A 13 7.875 10.459 -5.994 1.00 0.00 H new ATOM 0 HA ASN A 13 9.666 12.390 -7.268 1.00 0.00 H new ATOM 0 HB2 ASN A 13 10.933 11.588 -5.184 1.00 0.00 H new ATOM 0 HB3 ASN A 13 10.885 9.971 -5.859 1.00 0.00 H new ATOM 0 HD21 ASN A 13 13.562 10.601 -8.146 1.00 0.00 H new ATOM 0 HD22 ASN A 13 12.474 9.423 -7.405 1.00 0.00 H new ATOM 215 N THR A 14 9.162 9.140 -7.694 1.00 0.00 N ATOM 216 CA THR A 14 8.949 8.127 -8.765 1.00 0.00 C ATOM 217 C THR A 14 7.477 8.126 -9.182 1.00 0.00 C ATOM 218 O THR A 14 6.602 8.464 -8.409 1.00 0.00 O ATOM 219 CB THR A 14 9.330 6.741 -8.238 1.00 0.00 C ATOM 220 OG1 THR A 14 10.588 6.816 -7.581 1.00 0.00 O ATOM 221 CG2 THR A 14 9.420 5.756 -9.405 1.00 0.00 C ATOM 0 H THR A 14 9.123 8.779 -6.741 1.00 0.00 H new ATOM 0 HA THR A 14 9.570 8.373 -9.626 1.00 0.00 H new ATOM 0 HB THR A 14 8.571 6.398 -7.534 1.00 0.00 H new ATOM 0 HG1 THR A 14 10.833 5.930 -7.241 1.00 0.00 H new ATOM 0 HG21 THR A 14 9.691 4.770 -9.029 1.00 0.00 H new ATOM 0 HG22 THR A 14 8.455 5.699 -9.909 1.00 0.00 H new ATOM 0 HG23 THR A 14 10.178 6.096 -10.111 1.00 0.00 H new ATOM 229 N ASP A 15 7.196 7.748 -10.399 1.00 0.00 N ATOM 230 CA ASP A 15 5.781 7.726 -10.864 1.00 0.00 C ATOM 231 C ASP A 15 5.370 6.286 -11.180 1.00 0.00 C ATOM 232 O ASP A 15 6.062 5.572 -11.879 1.00 0.00 O ATOM 233 CB ASP A 15 5.644 8.584 -12.124 1.00 0.00 C ATOM 234 CG ASP A 15 4.176 8.642 -12.546 1.00 0.00 C ATOM 235 OD1 ASP A 15 3.325 8.565 -11.674 1.00 0.00 O ATOM 236 OD2 ASP A 15 3.925 8.763 -13.734 1.00 0.00 O ATOM 0 H ASP A 15 7.885 7.454 -11.091 1.00 0.00 H new ATOM 0 HA ASP A 15 5.135 8.125 -10.081 1.00 0.00 H new ATOM 0 HB2 ASP A 15 6.019 9.590 -11.934 1.00 0.00 H new ATOM 0 HB3 ASP A 15 6.248 8.166 -12.929 1.00 0.00 H new ATOM 241 N LEU A 16 4.250 5.853 -10.669 1.00 0.00 N ATOM 242 CA LEU A 16 3.798 4.459 -10.941 1.00 0.00 C ATOM 243 C LEU A 16 2.323 4.470 -11.345 1.00 0.00 C ATOM 244 O LEU A 16 1.588 5.385 -11.025 1.00 0.00 O ATOM 245 CB LEU A 16 3.974 3.611 -9.679 1.00 0.00 C ATOM 246 CG LEU A 16 5.459 3.533 -9.319 1.00 0.00 C ATOM 247 CD1 LEU A 16 5.609 3.309 -7.814 1.00 0.00 C ATOM 248 CD2 LEU A 16 6.104 2.368 -10.074 1.00 0.00 C ATOM 0 H LEU A 16 3.629 6.403 -10.076 1.00 0.00 H new ATOM 0 HA LEU A 16 4.393 4.036 -11.750 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.411 4.047 -8.854 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.576 2.610 -9.842 1.00 0.00 H new ATOM 0 HG LEU A 16 5.950 4.465 -9.597 1.00 0.00 H new ATOM 0 HD11 LEU A 16 6.667 3.253 -7.558 1.00 0.00 H new ATOM 0 HD12 LEU A 16 5.148 4.137 -7.275 1.00 0.00 H new ATOM 0 HD13 LEU A 16 5.119 2.377 -7.534 1.00 0.00 H new ATOM 0 HD21 LEU A 16 7.162 2.311 -9.819 1.00 0.00 H new ATOM 0 HD22 LEU A 16 5.612 1.436 -9.794 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.997 2.526 -11.147 1.00 0.00 H new ATOM 260 N ILE A 17 1.881 3.462 -12.046 1.00 0.00 N ATOM 261 CA ILE A 17 0.454 3.415 -12.469 1.00 0.00 C ATOM 262 C ILE A 17 -0.197 2.142 -11.926 1.00 0.00 C ATOM 263 O ILE A 17 0.459 1.144 -11.704 1.00 0.00 O ATOM 264 CB ILE A 17 0.374 3.417 -13.997 1.00 0.00 C ATOM 265 CG1 ILE A 17 0.852 4.770 -14.530 1.00 0.00 C ATOM 266 CG2 ILE A 17 -1.072 3.181 -14.434 1.00 0.00 C ATOM 267 CD1 ILE A 17 1.784 4.549 -15.724 1.00 0.00 C ATOM 0 H ILE A 17 2.448 2.668 -12.344 1.00 0.00 H new ATOM 0 HA ILE A 17 -0.070 4.287 -12.077 1.00 0.00 H new ATOM 0 HB ILE A 17 1.007 2.624 -14.394 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -0.002 5.377 -14.830 1.00 0.00 H new ATOM 0 HG13 ILE A 17 1.373 5.318 -13.745 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -1.128 3.183 -15.523 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -1.414 2.218 -14.054 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -1.706 3.974 -14.037 1.00 0.00 H new ATOM 0 HD11 ILE A 17 2.124 5.513 -16.103 1.00 0.00 H new ATOM 0 HD12 ILE A 17 2.645 3.959 -15.409 1.00 0.00 H new ATOM 0 HD13 ILE A 17 1.248 4.018 -16.511 1.00 0.00 H new ATOM 279 N VAL A 18 -1.484 2.167 -11.710 1.00 0.00 N ATOM 280 CA VAL A 18 -2.174 0.957 -11.181 1.00 0.00 C ATOM 281 C VAL A 18 -3.300 0.553 -12.135 1.00 0.00 C ATOM 282 O VAL A 18 -3.682 1.301 -13.013 1.00 0.00 O ATOM 283 CB VAL A 18 -2.761 1.266 -9.802 1.00 0.00 C ATOM 284 CG1 VAL A 18 -1.897 0.614 -8.722 1.00 0.00 C ATOM 285 CG2 VAL A 18 -2.787 2.781 -9.589 1.00 0.00 C ATOM 0 H VAL A 18 -2.087 2.973 -11.877 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.458 0.139 -11.097 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.776 0.872 -9.741 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.315 0.834 -7.740 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.877 -0.465 -8.874 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.882 1.008 -8.781 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.205 3.003 -8.607 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.772 3.174 -9.649 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -3.402 3.246 -10.359 1.00 0.00 H new ATOM 295 N PHE A 19 -3.835 -0.626 -11.971 1.00 0.00 N ATOM 296 CA PHE A 19 -4.936 -1.077 -12.867 1.00 0.00 C ATOM 297 C PHE A 19 -6.261 -1.045 -12.103 1.00 0.00 C ATOM 298 O PHE A 19 -6.295 -1.166 -10.894 1.00 0.00 O ATOM 299 CB PHE A 19 -4.656 -2.504 -13.341 1.00 0.00 C ATOM 300 CG PHE A 19 -4.074 -2.467 -14.735 1.00 0.00 C ATOM 301 CD1 PHE A 19 -4.889 -2.142 -15.825 1.00 0.00 C ATOM 302 CD2 PHE A 19 -2.719 -2.757 -14.936 1.00 0.00 C ATOM 303 CE1 PHE A 19 -4.351 -2.107 -17.116 1.00 0.00 C ATOM 304 CE2 PHE A 19 -2.180 -2.723 -16.227 1.00 0.00 C ATOM 305 CZ PHE A 19 -2.996 -2.398 -17.317 1.00 0.00 C ATOM 0 H PHE A 19 -3.557 -1.297 -11.255 1.00 0.00 H new ATOM 0 HA PHE A 19 -4.997 -0.413 -13.729 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -3.962 -2.996 -12.659 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -5.577 -3.088 -13.335 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -5.934 -1.918 -15.670 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -2.090 -3.007 -14.095 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -4.980 -1.856 -17.957 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -1.135 -2.947 -16.382 1.00 0.00 H new ATOM 0 HZ PHE A 19 -2.580 -2.372 -18.313 1.00 0.00 H new ATOM 315 N ALA A 20 -7.354 -0.883 -12.798 1.00 0.00 N ATOM 316 CA ALA A 20 -8.675 -0.844 -12.110 1.00 0.00 C ATOM 317 C ALA A 20 -9.781 -1.184 -13.111 1.00 0.00 C ATOM 318 O ALA A 20 -9.592 -1.108 -14.308 1.00 0.00 O ATOM 319 CB ALA A 20 -8.912 0.557 -11.543 1.00 0.00 C ATOM 0 H ALA A 20 -7.389 -0.776 -13.812 1.00 0.00 H new ATOM 0 HA ALA A 20 -8.685 -1.571 -11.298 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -9.878 0.587 -11.039 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -8.124 0.799 -10.830 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -8.903 1.284 -12.355 1.00 0.00 H new ATOM 325 N ALA A 21 -10.935 -1.559 -12.630 1.00 0.00 N ATOM 326 CA ALA A 21 -12.050 -1.903 -13.555 1.00 0.00 C ATOM 327 C ALA A 21 -12.757 -0.621 -14.002 1.00 0.00 C ATOM 328 O ALA A 21 -12.574 -0.155 -15.109 1.00 0.00 O ATOM 329 CB ALA A 21 -13.050 -2.811 -12.833 1.00 0.00 C ATOM 0 H ALA A 21 -11.153 -1.642 -11.637 1.00 0.00 H new ATOM 0 HA ALA A 21 -11.651 -2.421 -14.427 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -13.867 -3.063 -13.509 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -12.548 -3.724 -12.514 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -13.448 -2.293 -11.961 1.00 0.00 H new ATOM 335 N SER A 22 -13.561 -0.048 -13.150 1.00 0.00 N ATOM 336 CA SER A 22 -14.277 1.203 -13.526 1.00 0.00 C ATOM 337 C SER A 22 -14.208 2.200 -12.367 1.00 0.00 C ATOM 338 O SER A 22 -14.056 1.824 -11.222 1.00 0.00 O ATOM 339 CB SER A 22 -15.739 0.881 -13.835 1.00 0.00 C ATOM 340 OG SER A 22 -16.378 0.420 -12.651 1.00 0.00 O ATOM 0 H SER A 22 -13.753 -0.392 -12.209 1.00 0.00 H new ATOM 0 HA SER A 22 -13.807 1.639 -14.408 1.00 0.00 H new ATOM 0 HB2 SER A 22 -16.247 1.768 -14.214 1.00 0.00 H new ATOM 0 HB3 SER A 22 -15.799 0.121 -14.614 1.00 0.00 H new ATOM 0 HG SER A 22 -17.316 0.214 -12.845 1.00 0.00 H new ATOM 346 N GLU A 23 -14.318 3.468 -12.656 1.00 0.00 N ATOM 347 CA GLU A 23 -14.258 4.485 -11.569 1.00 0.00 C ATOM 348 C GLU A 23 -15.487 4.344 -10.669 1.00 0.00 C ATOM 349 O GLU A 23 -15.433 4.602 -9.483 1.00 0.00 O ATOM 350 CB GLU A 23 -14.236 5.886 -12.184 1.00 0.00 C ATOM 351 CG GLU A 23 -12.789 6.371 -12.302 1.00 0.00 C ATOM 352 CD GLU A 23 -12.756 7.703 -13.053 1.00 0.00 C ATOM 353 OE1 GLU A 23 -13.072 7.704 -14.231 1.00 0.00 O ATOM 354 OE2 GLU A 23 -12.413 8.699 -12.437 1.00 0.00 O ATOM 0 H GLU A 23 -14.447 3.843 -13.596 1.00 0.00 H new ATOM 0 HA GLU A 23 -13.355 4.332 -10.978 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -14.706 5.870 -13.167 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -14.812 6.575 -11.566 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -12.352 6.490 -11.310 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -12.188 5.630 -12.828 1.00 0.00 H new ATOM 361 N GLU A 24 -16.595 3.935 -11.224 1.00 0.00 N ATOM 362 CA GLU A 24 -17.827 3.776 -10.398 1.00 0.00 C ATOM 363 C GLU A 24 -17.502 2.951 -9.152 1.00 0.00 C ATOM 364 O GLU A 24 -17.643 3.411 -8.037 1.00 0.00 O ATOM 365 CB GLU A 24 -18.902 3.060 -11.219 1.00 0.00 C ATOM 366 CG GLU A 24 -20.281 3.596 -10.833 1.00 0.00 C ATOM 367 CD GLU A 24 -20.448 5.016 -11.378 1.00 0.00 C ATOM 368 OE1 GLU A 24 -20.827 5.145 -12.531 1.00 0.00 O ATOM 369 OE2 GLU A 24 -20.197 5.948 -10.633 1.00 0.00 O ATOM 0 H GLU A 24 -16.701 3.704 -12.212 1.00 0.00 H new ATOM 0 HA GLU A 24 -18.193 4.758 -10.098 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -18.725 3.215 -12.283 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -18.855 1.986 -11.041 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -21.060 2.947 -11.234 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -20.392 3.596 -9.749 1.00 0.00 H new ATOM 376 N LEU A 25 -17.070 1.732 -9.332 1.00 0.00 N ATOM 377 CA LEU A 25 -16.737 0.879 -8.157 1.00 0.00 C ATOM 378 C LEU A 25 -15.710 1.597 -7.280 1.00 0.00 C ATOM 379 O LEU A 25 -15.897 1.752 -6.089 1.00 0.00 O ATOM 380 CB LEU A 25 -16.154 -0.451 -8.640 1.00 0.00 C ATOM 381 CG LEU A 25 -17.116 -1.096 -9.641 1.00 0.00 C ATOM 382 CD1 LEU A 25 -16.350 -2.082 -10.523 1.00 0.00 C ATOM 383 CD2 LEU A 25 -18.215 -1.842 -8.880 1.00 0.00 C ATOM 0 H LEU A 25 -16.934 1.291 -10.242 1.00 0.00 H new ATOM 0 HA LEU A 25 -17.641 0.690 -7.578 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -15.183 -0.287 -9.107 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -15.992 -1.118 -7.793 1.00 0.00 H new ATOM 0 HG LEU A 25 -17.564 -0.323 -10.265 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -17.035 -2.541 -11.236 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -15.565 -1.553 -11.064 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -15.903 -2.856 -9.900 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -18.901 -2.302 -9.591 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -17.766 -2.615 -8.257 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -18.762 -1.140 -8.250 1.00 0.00 H new ATOM 395 N VAL A 26 -14.625 2.035 -7.857 1.00 0.00 N ATOM 396 CA VAL A 26 -13.587 2.741 -7.054 1.00 0.00 C ATOM 397 C VAL A 26 -14.259 3.766 -6.138 1.00 0.00 C ATOM 398 O VAL A 26 -14.017 3.802 -4.949 1.00 0.00 O ATOM 399 CB VAL A 26 -12.616 3.457 -7.994 1.00 0.00 C ATOM 400 CG1 VAL A 26 -11.869 4.548 -7.224 1.00 0.00 C ATOM 401 CG2 VAL A 26 -11.609 2.449 -8.552 1.00 0.00 C ATOM 0 H VAL A 26 -14.412 1.935 -8.850 1.00 0.00 H new ATOM 0 HA VAL A 26 -13.041 2.017 -6.449 1.00 0.00 H new ATOM 0 HB VAL A 26 -13.173 3.908 -8.815 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -11.177 5.058 -7.895 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -12.585 5.267 -6.826 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -11.312 4.097 -6.402 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -10.917 2.959 -9.222 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -11.053 1.998 -7.730 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -12.139 1.671 -9.102 1.00 0.00 H new ATOM 411 N ASP A 27 -15.103 4.600 -6.683 1.00 0.00 N ATOM 412 CA ASP A 27 -15.788 5.621 -5.843 1.00 0.00 C ATOM 413 C ASP A 27 -16.646 4.921 -4.787 1.00 0.00 C ATOM 414 O ASP A 27 -16.938 5.474 -3.745 1.00 0.00 O ATOM 415 CB ASP A 27 -16.681 6.494 -6.728 1.00 0.00 C ATOM 416 CG ASP A 27 -16.948 7.827 -6.027 1.00 0.00 C ATOM 417 OD1 ASP A 27 -16.004 8.578 -5.845 1.00 0.00 O ATOM 418 OD2 ASP A 27 -18.093 8.075 -5.684 1.00 0.00 O ATOM 0 H ASP A 27 -15.347 4.618 -7.673 1.00 0.00 H new ATOM 0 HA ASP A 27 -15.043 6.245 -5.350 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -16.199 6.667 -7.690 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -17.622 5.982 -6.930 1.00 0.00 H new ATOM 423 N GLU A 28 -17.053 3.709 -5.046 1.00 0.00 N ATOM 424 CA GLU A 28 -17.891 2.976 -4.057 1.00 0.00 C ATOM 425 C GLU A 28 -16.997 2.409 -2.952 1.00 0.00 C ATOM 426 O GLU A 28 -17.364 2.388 -1.794 1.00 0.00 O ATOM 427 CB GLU A 28 -18.625 1.830 -4.758 1.00 0.00 C ATOM 428 CG GLU A 28 -19.701 2.403 -5.683 1.00 0.00 C ATOM 429 CD GLU A 28 -20.974 2.674 -4.879 1.00 0.00 C ATOM 430 OE1 GLU A 28 -20.992 2.340 -3.705 1.00 0.00 O ATOM 431 OE2 GLU A 28 -21.910 3.208 -5.450 1.00 0.00 O ATOM 0 H GLU A 28 -16.841 3.194 -5.901 1.00 0.00 H new ATOM 0 HA GLU A 28 -18.619 3.660 -3.621 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -17.919 1.229 -5.332 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -19.079 1.169 -4.020 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -19.346 3.325 -6.144 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -19.911 1.703 -6.492 1.00 0.00 H new ATOM 438 N TYR A 29 -15.827 1.949 -3.300 1.00 0.00 N ATOM 439 CA TYR A 29 -14.912 1.384 -2.269 1.00 0.00 C ATOM 440 C TYR A 29 -14.585 2.461 -1.232 1.00 0.00 C ATOM 441 O TYR A 29 -14.598 2.213 -0.042 1.00 0.00 O ATOM 442 CB TYR A 29 -13.619 0.912 -2.938 1.00 0.00 C ATOM 443 CG TYR A 29 -12.587 0.608 -1.879 1.00 0.00 C ATOM 444 CD1 TYR A 29 -12.639 -0.604 -1.179 1.00 0.00 C ATOM 445 CD2 TYR A 29 -11.577 1.536 -1.597 1.00 0.00 C ATOM 446 CE1 TYR A 29 -11.682 -0.887 -0.197 1.00 0.00 C ATOM 447 CE2 TYR A 29 -10.621 1.252 -0.615 1.00 0.00 C ATOM 448 CZ TYR A 29 -10.673 0.042 0.085 1.00 0.00 C ATOM 449 OH TYR A 29 -9.730 -0.238 1.053 1.00 0.00 O ATOM 0 H TYR A 29 -15.465 1.940 -4.254 1.00 0.00 H new ATOM 0 HA TYR A 29 -15.396 0.540 -1.777 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -13.811 0.023 -3.539 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -13.246 1.680 -3.615 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -13.417 -1.320 -1.397 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -11.536 2.470 -2.137 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -11.722 -1.822 0.343 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -9.842 1.968 -0.397 1.00 0.00 H new ATOM 0 HH TYR A 29 -9.367 0.600 1.408 1.00 0.00 H new ATOM 459 N LEU A 30 -14.294 3.653 -1.673 1.00 0.00 N ATOM 460 CA LEU A 30 -13.968 4.744 -0.712 1.00 0.00 C ATOM 461 C LEU A 30 -15.185 5.028 0.170 1.00 0.00 C ATOM 462 O LEU A 30 -15.059 5.335 1.338 1.00 0.00 O ATOM 463 CB LEU A 30 -13.592 6.010 -1.486 1.00 0.00 C ATOM 464 CG LEU A 30 -12.310 5.759 -2.282 1.00 0.00 C ATOM 465 CD1 LEU A 30 -12.321 6.613 -3.551 1.00 0.00 C ATOM 466 CD2 LEU A 30 -11.098 6.134 -1.427 1.00 0.00 C ATOM 0 H LEU A 30 -14.268 3.919 -2.657 1.00 0.00 H new ATOM 0 HA LEU A 30 -13.130 4.438 -0.086 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -14.402 6.291 -2.159 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -13.448 6.841 -0.796 1.00 0.00 H new ATOM 0 HG LEU A 30 -12.252 4.705 -2.554 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -11.407 6.434 -4.118 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -13.184 6.347 -4.161 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -12.379 7.667 -3.280 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -10.184 5.955 -1.993 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -11.157 7.188 -1.155 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -11.089 5.526 -0.522 1.00 0.00 H new ATOM 478 N LYS A 31 -16.365 4.928 -0.380 1.00 0.00 N ATOM 479 CA LYS A 31 -17.588 5.191 0.430 1.00 0.00 C ATOM 480 C LYS A 31 -17.866 3.992 1.338 1.00 0.00 C ATOM 481 O LYS A 31 -18.281 4.141 2.470 1.00 0.00 O ATOM 482 CB LYS A 31 -18.780 5.411 -0.505 1.00 0.00 C ATOM 483 CG LYS A 31 -19.840 6.251 0.211 1.00 0.00 C ATOM 484 CD LYS A 31 -21.112 6.298 -0.639 1.00 0.00 C ATOM 485 CE LYS A 31 -21.766 7.675 -0.505 1.00 0.00 C ATOM 486 NZ LYS A 31 -22.920 7.771 -1.443 1.00 0.00 N ATOM 0 H LYS A 31 -16.534 4.676 -1.354 1.00 0.00 H new ATOM 0 HA LYS A 31 -17.436 6.081 1.041 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -18.454 5.915 -1.415 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -19.202 4.452 -0.806 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -20.059 5.823 1.189 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -19.466 7.261 0.381 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -20.872 6.098 -1.683 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -21.806 5.521 -0.317 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -22.103 7.831 0.520 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -21.039 8.457 -0.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -23.364 8.707 -1.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -22.586 7.640 -2.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -23.616 7.033 -1.213 1.00 0.00 H new ATOM 500 N ASN A 32 -17.641 2.803 0.851 1.00 0.00 N ATOM 501 CA ASN A 32 -17.891 1.595 1.687 1.00 0.00 C ATOM 502 C ASN A 32 -16.649 0.702 1.679 1.00 0.00 C ATOM 503 O ASN A 32 -16.634 -0.350 1.072 1.00 0.00 O ATOM 504 CB ASN A 32 -19.081 0.819 1.118 1.00 0.00 C ATOM 505 CG ASN A 32 -20.320 1.717 1.108 1.00 0.00 C ATOM 506 OD1 ASN A 32 -20.286 2.811 0.582 1.00 0.00 O ATOM 507 ND2 ASN A 32 -21.420 1.297 1.670 1.00 0.00 N ATOM 0 H ASN A 32 -17.295 2.616 -0.090 1.00 0.00 H new ATOM 0 HA ASN A 32 -18.111 1.901 2.710 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -18.857 0.479 0.107 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -19.269 -0.071 1.719 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -22.252 1.888 1.668 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -21.448 0.378 2.112 1.00 0.00 H new ATOM 514 N PRO A 33 -15.614 1.127 2.351 1.00 0.00 N ATOM 515 CA PRO A 33 -14.335 0.366 2.433 1.00 0.00 C ATOM 516 C PRO A 33 -14.560 -1.112 2.764 1.00 0.00 C ATOM 517 O PRO A 33 -15.355 -1.454 3.616 1.00 0.00 O ATOM 518 CB PRO A 33 -13.573 1.057 3.565 1.00 0.00 C ATOM 519 CG PRO A 33 -14.110 2.450 3.612 1.00 0.00 C ATOM 520 CD PRO A 33 -15.553 2.387 3.109 1.00 0.00 C ATOM 0 HA PRO A 33 -13.801 0.369 1.483 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -13.729 0.544 4.514 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -12.500 1.056 3.374 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -14.072 2.844 4.627 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -13.513 3.115 2.989 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -16.264 2.390 3.935 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -15.793 3.243 2.479 1.00 0.00 H new ATOM 528 N SER A 34 -13.864 -1.991 2.095 1.00 0.00 N ATOM 529 CA SER A 34 -14.037 -3.445 2.369 1.00 0.00 C ATOM 530 C SER A 34 -13.025 -4.243 1.545 1.00 0.00 C ATOM 531 O SER A 34 -12.887 -4.046 0.355 1.00 0.00 O ATOM 532 CB SER A 34 -15.455 -3.871 1.987 1.00 0.00 C ATOM 533 OG SER A 34 -16.001 -2.922 1.082 1.00 0.00 O ATOM 0 H SER A 34 -13.183 -1.764 1.370 1.00 0.00 H new ATOM 0 HA SER A 34 -13.874 -3.637 3.430 1.00 0.00 H new ATOM 0 HB2 SER A 34 -15.439 -4.860 1.529 1.00 0.00 H new ATOM 0 HB3 SER A 34 -16.079 -3.942 2.878 1.00 0.00 H new ATOM 0 HG SER A 34 -16.415 -2.190 1.586 1.00 0.00 H new ATOM 539 N ILE A 35 -12.315 -5.143 2.169 1.00 0.00 N ATOM 540 CA ILE A 35 -11.313 -5.952 1.420 1.00 0.00 C ATOM 541 C ILE A 35 -12.037 -6.913 0.475 1.00 0.00 C ATOM 542 O ILE A 35 -11.664 -7.071 -0.671 1.00 0.00 O ATOM 543 CB ILE A 35 -10.462 -6.753 2.408 1.00 0.00 C ATOM 544 CG1 ILE A 35 -9.599 -5.793 3.235 1.00 0.00 C ATOM 545 CG2 ILE A 35 -9.563 -7.726 1.641 1.00 0.00 C ATOM 546 CD1 ILE A 35 -8.373 -5.365 2.425 1.00 0.00 C ATOM 0 H ILE A 35 -12.386 -5.353 3.165 1.00 0.00 H new ATOM 0 HA ILE A 35 -10.670 -5.289 0.841 1.00 0.00 H new ATOM 0 HB ILE A 35 -11.114 -7.317 3.075 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -10.183 -4.917 3.518 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -9.284 -6.278 4.159 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -8.958 -8.295 2.346 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -10.180 -8.410 1.058 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -8.910 -7.167 0.971 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -7.765 -4.683 3.019 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -7.784 -6.244 2.165 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -8.696 -4.862 1.513 1.00 0.00 H new ATOM 558 N GLY A 36 -13.069 -7.557 0.945 1.00 0.00 N ATOM 559 CA GLY A 36 -13.816 -8.508 0.073 1.00 0.00 C ATOM 560 C GLY A 36 -14.312 -7.776 -1.175 1.00 0.00 C ATOM 561 O GLY A 36 -14.782 -8.384 -2.116 1.00 0.00 O ATOM 0 H GLY A 36 -13.428 -7.466 1.895 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -13.171 -9.339 -0.212 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -14.659 -8.932 0.618 1.00 0.00 H new ATOM 565 N LYS A 37 -14.213 -6.475 -1.190 1.00 0.00 N ATOM 566 CA LYS A 37 -14.680 -5.707 -2.378 1.00 0.00 C ATOM 567 C LYS A 37 -13.495 -5.432 -3.306 1.00 0.00 C ATOM 568 O LYS A 37 -13.560 -5.668 -4.497 1.00 0.00 O ATOM 569 CB LYS A 37 -15.288 -4.379 -1.920 1.00 0.00 C ATOM 570 CG LYS A 37 -15.509 -3.472 -3.133 1.00 0.00 C ATOM 571 CD LYS A 37 -16.614 -2.463 -2.821 1.00 0.00 C ATOM 572 CE LYS A 37 -17.892 -2.859 -3.565 1.00 0.00 C ATOM 573 NZ LYS A 37 -18.092 -4.332 -3.461 1.00 0.00 N ATOM 0 H LYS A 37 -13.829 -5.911 -0.431 1.00 0.00 H new ATOM 0 HA LYS A 37 -15.433 -6.287 -2.912 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -16.234 -4.557 -1.409 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -14.626 -3.892 -1.204 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -14.585 -2.950 -3.383 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -15.783 -4.070 -4.002 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -16.800 -2.432 -1.747 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -16.302 -1.462 -3.119 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -18.749 -2.334 -3.142 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -17.822 -2.564 -4.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -19.084 -4.563 -3.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -17.473 -4.815 -4.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -17.859 -4.647 -2.498 1.00 0.00 H new ATOM 587 N LEU A 38 -12.412 -4.937 -2.772 1.00 0.00 N ATOM 588 CA LEU A 38 -11.226 -4.648 -3.624 1.00 0.00 C ATOM 589 C LEU A 38 -10.945 -5.849 -4.532 1.00 0.00 C ATOM 590 O LEU A 38 -10.305 -5.728 -5.558 1.00 0.00 O ATOM 591 CB LEU A 38 -10.010 -4.387 -2.734 1.00 0.00 C ATOM 592 CG LEU A 38 -9.252 -3.162 -3.250 1.00 0.00 C ATOM 593 CD1 LEU A 38 -10.146 -1.925 -3.139 1.00 0.00 C ATOM 594 CD2 LEU A 38 -7.989 -2.955 -2.411 1.00 0.00 C ATOM 0 H LEU A 38 -12.298 -4.720 -1.782 1.00 0.00 H new ATOM 0 HA LEU A 38 -11.424 -3.768 -4.236 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -10.328 -4.224 -1.704 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -9.355 -5.258 -2.731 1.00 0.00 H new ATOM 0 HG LEU A 38 -8.975 -3.318 -4.293 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -9.607 -1.052 -3.506 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -11.047 -2.072 -3.735 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -10.422 -1.768 -2.096 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -7.448 -2.083 -2.777 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -8.266 -2.799 -1.369 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -7.352 -3.836 -2.489 1.00 0.00 H new ATOM 606 N SER A 39 -11.419 -7.007 -4.162 1.00 0.00 N ATOM 607 CA SER A 39 -11.179 -8.213 -5.004 1.00 0.00 C ATOM 608 C SER A 39 -11.862 -8.032 -6.361 1.00 0.00 C ATOM 609 O SER A 39 -11.396 -8.520 -7.372 1.00 0.00 O ATOM 610 CB SER A 39 -11.752 -9.446 -4.304 1.00 0.00 C ATOM 611 OG SER A 39 -12.549 -9.032 -3.202 1.00 0.00 O ATOM 0 H SER A 39 -11.962 -7.170 -3.314 1.00 0.00 H new ATOM 0 HA SER A 39 -10.107 -8.345 -5.152 1.00 0.00 H new ATOM 0 HB2 SER A 39 -12.352 -10.029 -5.003 1.00 0.00 H new ATOM 0 HB3 SER A 39 -10.944 -10.092 -3.961 1.00 0.00 H new ATOM 0 HG SER A 39 -13.488 -8.979 -3.479 1.00 0.00 H new ATOM 617 N GLU A 40 -12.965 -7.335 -6.392 1.00 0.00 N ATOM 618 CA GLU A 40 -13.677 -7.123 -7.684 1.00 0.00 C ATOM 619 C GLU A 40 -13.090 -5.903 -8.395 1.00 0.00 C ATOM 620 O GLU A 40 -12.819 -5.933 -9.579 1.00 0.00 O ATOM 621 CB GLU A 40 -15.166 -6.892 -7.414 1.00 0.00 C ATOM 622 CG GLU A 40 -15.969 -8.100 -7.899 1.00 0.00 C ATOM 623 CD GLU A 40 -15.676 -9.302 -6.999 1.00 0.00 C ATOM 624 OE1 GLU A 40 -14.580 -9.829 -7.085 1.00 0.00 O ATOM 625 OE2 GLU A 40 -16.556 -9.675 -6.241 1.00 0.00 O ATOM 0 H GLU A 40 -13.404 -6.903 -5.579 1.00 0.00 H new ATOM 0 HA GLU A 40 -13.556 -8.003 -8.315 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -15.333 -6.736 -6.348 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -15.503 -5.990 -7.925 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -17.035 -7.872 -7.883 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -15.708 -8.333 -8.931 1.00 0.00 H new ATOM 632 N VAL A 41 -12.890 -4.828 -7.682 1.00 0.00 N ATOM 633 CA VAL A 41 -12.320 -3.607 -8.319 1.00 0.00 C ATOM 634 C VAL A 41 -10.946 -3.931 -8.905 1.00 0.00 C ATOM 635 O VAL A 41 -10.691 -3.713 -10.073 1.00 0.00 O ATOM 636 CB VAL A 41 -12.181 -2.503 -7.269 1.00 0.00 C ATOM 637 CG1 VAL A 41 -11.247 -1.413 -7.796 1.00 0.00 C ATOM 638 CG2 VAL A 41 -13.557 -1.899 -6.979 1.00 0.00 C ATOM 0 H VAL A 41 -13.097 -4.743 -6.687 1.00 0.00 H new ATOM 0 HA VAL A 41 -12.983 -3.269 -9.116 1.00 0.00 H new ATOM 0 HB VAL A 41 -11.768 -2.923 -6.352 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -11.148 -0.626 -7.048 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -10.267 -1.843 -8.003 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -11.660 -0.992 -8.713 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -13.459 -1.112 -6.231 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -13.970 -1.478 -7.896 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -14.223 -2.676 -6.603 1.00 0.00 H new ATOM 648 N VAL A 42 -10.056 -4.451 -8.104 1.00 0.00 N ATOM 649 CA VAL A 42 -8.699 -4.789 -8.616 1.00 0.00 C ATOM 650 C VAL A 42 -8.789 -6.009 -9.533 1.00 0.00 C ATOM 651 O VAL A 42 -9.435 -6.990 -9.216 1.00 0.00 O ATOM 652 CB VAL A 42 -7.773 -5.101 -7.440 1.00 0.00 C ATOM 653 CG1 VAL A 42 -6.411 -5.558 -7.967 1.00 0.00 C ATOM 654 CG2 VAL A 42 -7.592 -3.844 -6.586 1.00 0.00 C ATOM 0 H VAL A 42 -10.211 -4.656 -7.117 1.00 0.00 H new ATOM 0 HA VAL A 42 -8.301 -3.943 -9.176 1.00 0.00 H new ATOM 0 HB VAL A 42 -8.212 -5.894 -6.834 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -5.752 -5.780 -7.128 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.538 -6.453 -8.575 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.971 -4.766 -8.574 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -6.932 -4.066 -5.747 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -7.154 -3.052 -7.193 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -8.561 -3.518 -6.208 1.00 0.00 H new ATOM 664 N GLU A 43 -8.148 -5.960 -10.668 1.00 0.00 N ATOM 665 CA GLU A 43 -8.198 -7.119 -11.604 1.00 0.00 C ATOM 666 C GLU A 43 -6.783 -7.445 -12.087 1.00 0.00 C ATOM 667 O GLU A 43 -6.579 -7.842 -13.217 1.00 0.00 O ATOM 668 CB GLU A 43 -9.080 -6.765 -12.805 1.00 0.00 C ATOM 669 CG GLU A 43 -10.133 -7.857 -13.005 1.00 0.00 C ATOM 670 CD GLU A 43 -9.445 -9.220 -13.105 1.00 0.00 C ATOM 671 OE1 GLU A 43 -8.970 -9.544 -14.180 1.00 0.00 O ATOM 672 OE2 GLU A 43 -9.405 -9.915 -12.104 1.00 0.00 O ATOM 0 H GLU A 43 -7.591 -5.167 -10.988 1.00 0.00 H new ATOM 0 HA GLU A 43 -8.614 -7.985 -11.090 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -9.565 -5.803 -12.642 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -8.469 -6.666 -13.702 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -10.837 -7.854 -12.173 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -10.708 -7.661 -13.910 1.00 0.00 H new ATOM 679 N LEU A 44 -5.804 -7.282 -11.238 1.00 0.00 N ATOM 680 CA LEU A 44 -4.404 -7.584 -11.650 1.00 0.00 C ATOM 681 C LEU A 44 -3.511 -7.641 -10.409 1.00 0.00 C ATOM 682 O LEU A 44 -2.647 -8.488 -10.294 1.00 0.00 O ATOM 683 CB LEU A 44 -3.902 -6.486 -12.591 1.00 0.00 C ATOM 684 CG LEU A 44 -3.310 -7.123 -13.850 1.00 0.00 C ATOM 685 CD1 LEU A 44 -3.060 -6.040 -14.901 1.00 0.00 C ATOM 686 CD2 LEU A 44 -1.987 -7.806 -13.500 1.00 0.00 C ATOM 0 H LEU A 44 -5.913 -6.953 -10.279 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.374 -8.544 -12.164 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -4.722 -5.819 -12.859 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -3.149 -5.879 -12.089 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.008 -7.860 -14.247 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.638 -6.494 -15.798 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -4.002 -5.551 -15.150 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.362 -5.303 -14.505 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.564 -8.260 -14.396 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.290 -7.068 -13.104 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -2.163 -8.578 -12.750 1.00 0.00 H new ATOM 698 N PHE A 45 -3.712 -6.747 -9.480 1.00 0.00 N ATOM 699 CA PHE A 45 -2.873 -6.752 -8.249 1.00 0.00 C ATOM 700 C PHE A 45 -1.396 -6.654 -8.636 1.00 0.00 C ATOM 701 O PHE A 45 -0.612 -7.541 -8.363 1.00 0.00 O ATOM 702 CB PHE A 45 -3.111 -8.050 -7.474 1.00 0.00 C ATOM 703 CG PHE A 45 -4.387 -7.931 -6.673 1.00 0.00 C ATOM 704 CD1 PHE A 45 -4.433 -7.100 -5.549 1.00 0.00 C ATOM 705 CD2 PHE A 45 -5.523 -8.652 -7.058 1.00 0.00 C ATOM 706 CE1 PHE A 45 -5.615 -6.990 -4.807 1.00 0.00 C ATOM 707 CE2 PHE A 45 -6.706 -8.543 -6.317 1.00 0.00 C ATOM 708 CZ PHE A 45 -6.752 -7.711 -5.191 1.00 0.00 C ATOM 0 H PHE A 45 -4.420 -6.014 -9.520 1.00 0.00 H new ATOM 0 HA PHE A 45 -3.142 -5.900 -7.624 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -3.179 -8.891 -8.164 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -2.270 -8.250 -6.810 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -3.556 -6.543 -5.253 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -5.487 -9.293 -7.927 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -5.650 -6.349 -3.938 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -7.582 -9.100 -6.613 1.00 0.00 H new ATOM 0 HZ PHE A 45 -7.664 -7.626 -4.619 1.00 0.00 H new ATOM 718 N GLU A 46 -1.010 -5.581 -9.271 1.00 0.00 N ATOM 719 CA GLU A 46 0.416 -5.429 -9.675 1.00 0.00 C ATOM 720 C GLU A 46 0.731 -3.946 -9.886 1.00 0.00 C ATOM 721 O GLU A 46 -0.156 -3.131 -10.051 1.00 0.00 O ATOM 722 CB GLU A 46 0.662 -6.192 -10.979 1.00 0.00 C ATOM 723 CG GLU A 46 2.147 -6.122 -11.340 1.00 0.00 C ATOM 724 CD GLU A 46 2.556 -7.402 -12.072 1.00 0.00 C ATOM 725 OE1 GLU A 46 2.115 -8.462 -11.660 1.00 0.00 O ATOM 726 OE2 GLU A 46 3.302 -7.299 -13.032 1.00 0.00 O ATOM 0 H GLU A 46 -1.620 -4.804 -9.527 1.00 0.00 H new ATOM 0 HA GLU A 46 1.059 -5.830 -8.892 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.353 -7.231 -10.868 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.061 -5.764 -11.782 1.00 0.00 H new ATOM 0 HG2 GLU A 46 2.338 -5.253 -11.970 1.00 0.00 H new ATOM 0 HG3 GLU A 46 2.746 -5.999 -10.438 1.00 0.00 H new ATOM 733 N VAL A 47 1.986 -3.589 -9.883 1.00 0.00 N ATOM 734 CA VAL A 47 2.355 -2.160 -10.084 1.00 0.00 C ATOM 735 C VAL A 47 3.165 -2.018 -11.374 1.00 0.00 C ATOM 736 O VAL A 47 4.184 -2.656 -11.550 1.00 0.00 O ATOM 737 CB VAL A 47 3.195 -1.680 -8.898 1.00 0.00 C ATOM 738 CG1 VAL A 47 3.603 -0.222 -9.119 1.00 0.00 C ATOM 739 CG2 VAL A 47 2.371 -1.789 -7.614 1.00 0.00 C ATOM 0 H VAL A 47 2.772 -4.226 -9.750 1.00 0.00 H new ATOM 0 HA VAL A 47 1.450 -1.557 -10.157 1.00 0.00 H new ATOM 0 HB VAL A 47 4.088 -2.298 -8.811 1.00 0.00 H new ATOM 0 HG11 VAL A 47 4.201 0.120 -8.275 1.00 0.00 H new ATOM 0 HG12 VAL A 47 4.189 -0.143 -10.035 1.00 0.00 H new ATOM 0 HG13 VAL A 47 2.710 0.397 -9.205 1.00 0.00 H new ATOM 0 HG21 VAL A 47 2.968 -1.447 -6.768 1.00 0.00 H new ATOM 0 HG22 VAL A 47 1.478 -1.170 -7.701 1.00 0.00 H new ATOM 0 HG23 VAL A 47 2.079 -2.827 -7.456 1.00 0.00 H new ATOM 749 N PHE A 48 2.721 -1.189 -12.277 1.00 0.00 N ATOM 750 CA PHE A 48 3.466 -1.008 -13.554 1.00 0.00 C ATOM 751 C PHE A 48 4.094 0.386 -13.586 1.00 0.00 C ATOM 752 O PHE A 48 3.828 1.218 -12.742 1.00 0.00 O ATOM 753 CB PHE A 48 2.501 -1.159 -14.733 1.00 0.00 C ATOM 754 CG PHE A 48 2.337 -2.622 -15.067 1.00 0.00 C ATOM 755 CD1 PHE A 48 3.398 -3.331 -15.644 1.00 0.00 C ATOM 756 CD2 PHE A 48 1.126 -3.271 -14.798 1.00 0.00 C ATOM 757 CE1 PHE A 48 3.246 -4.688 -15.954 1.00 0.00 C ATOM 758 CE2 PHE A 48 0.975 -4.627 -15.108 1.00 0.00 C ATOM 759 CZ PHE A 48 2.034 -5.336 -15.685 1.00 0.00 C ATOM 0 H PHE A 48 1.874 -0.629 -12.186 1.00 0.00 H new ATOM 0 HA PHE A 48 4.250 -1.761 -13.626 1.00 0.00 H new ATOM 0 HB2 PHE A 48 1.534 -0.722 -14.483 1.00 0.00 H new ATOM 0 HB3 PHE A 48 2.881 -0.618 -15.599 1.00 0.00 H new ATOM 0 HD1 PHE A 48 4.333 -2.831 -15.850 1.00 0.00 H new ATOM 0 HD2 PHE A 48 0.308 -2.725 -14.351 1.00 0.00 H new ATOM 0 HE1 PHE A 48 4.063 -5.235 -16.400 1.00 0.00 H new ATOM 0 HE2 PHE A 48 0.040 -5.127 -14.902 1.00 0.00 H new ATOM 0 HZ PHE A 48 1.917 -6.383 -15.923 1.00 0.00 H new ATOM 769 N THR A 49 4.929 0.648 -14.555 1.00 0.00 N ATOM 770 CA THR A 49 5.574 1.988 -14.641 1.00 0.00 C ATOM 771 C THR A 49 5.851 2.327 -16.107 1.00 0.00 C ATOM 772 O THR A 49 5.918 1.457 -16.953 1.00 0.00 O ATOM 773 CB THR A 49 6.893 1.971 -13.863 1.00 0.00 C ATOM 774 OG1 THR A 49 7.923 2.523 -14.670 1.00 0.00 O ATOM 775 CG2 THR A 49 7.249 0.531 -13.491 1.00 0.00 C ATOM 0 H THR A 49 5.192 -0.008 -15.290 1.00 0.00 H new ATOM 0 HA THR A 49 4.910 2.739 -14.213 1.00 0.00 H new ATOM 0 HB THR A 49 6.787 2.563 -12.954 1.00 0.00 H new ATOM 0 HG1 THR A 49 8.768 2.514 -14.173 1.00 0.00 H new ATOM 0 HG21 THR A 49 8.188 0.520 -12.937 1.00 0.00 H new ATOM 0 HG22 THR A 49 6.457 0.109 -12.872 1.00 0.00 H new ATOM 0 HG23 THR A 49 7.356 -0.063 -14.398 1.00 0.00 H new ATOM 783 N PRO A 50 6.012 3.588 -16.401 1.00 0.00 N ATOM 784 CA PRO A 50 6.288 4.067 -17.786 1.00 0.00 C ATOM 785 C PRO A 50 7.696 3.694 -18.257 1.00 0.00 C ATOM 786 O PRO A 50 8.525 3.259 -17.483 1.00 0.00 O ATOM 787 CB PRO A 50 6.143 5.587 -17.686 1.00 0.00 C ATOM 788 CG PRO A 50 6.380 5.919 -16.250 1.00 0.00 C ATOM 789 CD PRO A 50 5.947 4.698 -15.438 1.00 0.00 C ATOM 0 HA PRO A 50 5.612 3.614 -18.511 1.00 0.00 H new ATOM 0 HB2 PRO A 50 6.863 6.093 -18.329 1.00 0.00 H new ATOM 0 HB3 PRO A 50 5.151 5.908 -18.004 1.00 0.00 H new ATOM 0 HG2 PRO A 50 7.431 6.147 -16.074 1.00 0.00 H new ATOM 0 HG3 PRO A 50 5.809 6.800 -15.957 1.00 0.00 H new ATOM 0 HD2 PRO A 50 6.609 4.529 -14.589 1.00 0.00 H new ATOM 0 HD3 PRO A 50 4.940 4.821 -15.038 1.00 0.00 H new ATOM 911 N LEU A 60 4.599 -1.699 -21.266 1.00 0.00 N ATOM 912 CA LEU A 60 4.835 -1.237 -19.871 1.00 0.00 C ATOM 913 C LEU A 60 5.740 -2.238 -19.148 1.00 0.00 C ATOM 914 O LEU A 60 5.942 -3.347 -19.604 1.00 0.00 O ATOM 915 CB LEU A 60 3.499 -1.134 -19.134 1.00 0.00 C ATOM 916 CG LEU A 60 2.719 0.072 -19.657 1.00 0.00 C ATOM 917 CD1 LEU A 60 1.217 -0.190 -19.514 1.00 0.00 C ATOM 918 CD2 LEU A 60 3.097 1.313 -18.846 1.00 0.00 C ATOM 0 HA LEU A 60 5.316 -0.259 -19.889 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.920 -2.046 -19.280 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.670 -1.033 -18.062 1.00 0.00 H new ATOM 0 HG LEU A 60 2.962 0.234 -20.707 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.661 0.670 -19.887 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.946 -1.075 -20.089 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.974 -0.352 -18.464 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.541 2.174 -19.218 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.853 1.150 -17.796 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.166 1.501 -18.945 1.00 0.00 H new ATOM 930 N GLY A 61 6.285 -1.858 -18.026 1.00 0.00 N ATOM 931 CA GLY A 61 7.176 -2.789 -17.277 1.00 0.00 C ATOM 932 C GLY A 61 6.810 -2.764 -15.792 1.00 0.00 C ATOM 933 O GLY A 61 6.310 -1.780 -15.282 1.00 0.00 O ATOM 0 H GLY A 61 6.152 -0.943 -17.595 1.00 0.00 H new ATOM 0 HA2 GLY A 61 7.075 -3.801 -17.670 1.00 0.00 H new ATOM 0 HA3 GLY A 61 8.218 -2.498 -17.410 1.00 0.00 H new ATOM 937 N ALA A 62 7.056 -3.838 -15.093 1.00 0.00 N ATOM 938 CA ALA A 62 6.722 -3.875 -13.641 1.00 0.00 C ATOM 939 C ALA A 62 7.889 -3.301 -12.835 1.00 0.00 C ATOM 940 O ALA A 62 9.040 -3.454 -13.195 1.00 0.00 O ATOM 941 CB ALA A 62 6.470 -5.322 -13.212 1.00 0.00 C ATOM 0 H ALA A 62 7.474 -4.691 -15.464 1.00 0.00 H new ATOM 0 HA ALA A 62 5.827 -3.281 -13.459 1.00 0.00 H new ATOM 0 HB1 ALA A 62 6.226 -5.349 -12.150 1.00 0.00 H new ATOM 0 HB2 ALA A 62 5.639 -5.732 -13.786 1.00 0.00 H new ATOM 0 HB3 ALA A 62 7.365 -5.917 -13.394 1.00 0.00 H new ATOM 947 N ALA A 63 7.603 -2.639 -11.747 1.00 0.00 N ATOM 948 CA ALA A 63 8.697 -2.056 -10.920 1.00 0.00 C ATOM 949 C ALA A 63 9.217 -3.113 -9.944 1.00 0.00 C ATOM 950 O ALA A 63 8.867 -4.274 -10.027 1.00 0.00 O ATOM 951 CB ALA A 63 8.159 -0.858 -10.136 1.00 0.00 C ATOM 0 H ALA A 63 6.659 -2.477 -11.395 1.00 0.00 H new ATOM 0 HA ALA A 63 9.510 -1.730 -11.569 1.00 0.00 H new ATOM 0 HB1 ALA A 63 8.958 -0.431 -9.531 1.00 0.00 H new ATOM 0 HB2 ALA A 63 7.788 -0.105 -10.831 1.00 0.00 H new ATOM 0 HB3 ALA A 63 7.346 -1.183 -9.486 1.00 0.00 H new ATOM 957 N SER A 64 10.049 -2.721 -9.019 1.00 0.00 N ATOM 958 CA SER A 64 10.591 -3.704 -8.039 1.00 0.00 C ATOM 959 C SER A 64 10.060 -3.376 -6.642 1.00 0.00 C ATOM 960 O SER A 64 9.841 -2.230 -6.304 1.00 0.00 O ATOM 961 CB SER A 64 12.118 -3.629 -8.034 1.00 0.00 C ATOM 962 OG SER A 64 12.614 -4.075 -9.290 1.00 0.00 O ATOM 0 H SER A 64 10.377 -1.763 -8.899 1.00 0.00 H new ATOM 0 HA SER A 64 10.277 -4.709 -8.321 1.00 0.00 H new ATOM 0 HB2 SER A 64 12.443 -2.606 -7.844 1.00 0.00 H new ATOM 0 HB3 SER A 64 12.521 -4.246 -7.231 1.00 0.00 H new ATOM 0 HG SER A 64 13.593 -4.027 -9.291 1.00 0.00 H new ATOM 968 N LYS A 65 9.852 -4.374 -5.827 1.00 0.00 N ATOM 969 CA LYS A 65 9.336 -4.118 -4.453 1.00 0.00 C ATOM 970 C LYS A 65 10.166 -3.015 -3.794 1.00 0.00 C ATOM 971 O LYS A 65 9.668 -2.240 -3.003 1.00 0.00 O ATOM 972 CB LYS A 65 9.440 -5.400 -3.623 1.00 0.00 C ATOM 973 CG LYS A 65 8.567 -6.489 -4.252 1.00 0.00 C ATOM 974 CD LYS A 65 8.811 -7.817 -3.534 1.00 0.00 C ATOM 975 CE LYS A 65 7.596 -8.727 -3.718 1.00 0.00 C ATOM 976 NZ LYS A 65 7.835 -10.022 -3.019 1.00 0.00 N ATOM 0 H LYS A 65 10.017 -5.355 -6.053 1.00 0.00 H new ATOM 0 HA LYS A 65 8.294 -3.804 -4.508 1.00 0.00 H new ATOM 0 HB2 LYS A 65 10.477 -5.732 -3.576 1.00 0.00 H new ATOM 0 HB3 LYS A 65 9.120 -5.209 -2.599 1.00 0.00 H new ATOM 0 HG2 LYS A 65 7.515 -6.213 -4.181 1.00 0.00 H new ATOM 0 HG3 LYS A 65 8.799 -6.589 -5.312 1.00 0.00 H new ATOM 0 HD2 LYS A 65 9.704 -8.299 -3.932 1.00 0.00 H new ATOM 0 HD3 LYS A 65 8.990 -7.642 -2.473 1.00 0.00 H new ATOM 0 HE2 LYS A 65 6.704 -8.245 -3.319 1.00 0.00 H new ATOM 0 HE3 LYS A 65 7.416 -8.902 -4.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 7.009 -10.641 -3.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 8.677 -10.483 -3.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 7.986 -9.847 -2.005 1.00 0.00 H new ATOM 990 N ALA A 66 11.429 -2.939 -4.113 1.00 0.00 N ATOM 991 CA ALA A 66 12.289 -1.886 -3.504 1.00 0.00 C ATOM 992 C ALA A 66 11.802 -0.507 -3.954 1.00 0.00 C ATOM 993 O ALA A 66 11.722 0.420 -3.172 1.00 0.00 O ATOM 994 CB ALA A 66 13.738 -2.089 -3.953 1.00 0.00 C ATOM 0 H ALA A 66 11.902 -3.561 -4.769 1.00 0.00 H new ATOM 0 HA ALA A 66 12.233 -1.953 -2.418 1.00 0.00 H new ATOM 0 HB1 ALA A 66 14.368 -1.319 -3.508 1.00 0.00 H new ATOM 0 HB2 ALA A 66 14.084 -3.071 -3.632 1.00 0.00 H new ATOM 0 HB3 ALA A 66 13.795 -2.021 -5.039 1.00 0.00 H new ATOM 1000 N GLN A 67 11.474 -0.364 -5.209 1.00 0.00 N ATOM 1001 CA GLN A 67 10.992 0.955 -5.707 1.00 0.00 C ATOM 1002 C GLN A 67 9.706 1.339 -4.972 1.00 0.00 C ATOM 1003 O GLN A 67 9.486 2.488 -4.645 1.00 0.00 O ATOM 1004 CB GLN A 67 10.712 0.862 -7.209 1.00 0.00 C ATOM 1005 CG GLN A 67 11.196 2.138 -7.899 1.00 0.00 C ATOM 1006 CD GLN A 67 11.177 1.938 -9.416 1.00 0.00 C ATOM 1007 OE1 GLN A 67 10.713 2.791 -10.147 1.00 0.00 O ATOM 1008 NE2 GLN A 67 11.663 0.839 -9.923 1.00 0.00 N ATOM 0 H GLN A 67 11.519 -1.103 -5.910 1.00 0.00 H new ATOM 0 HA GLN A 67 11.755 1.712 -5.525 1.00 0.00 H new ATOM 0 HB2 GLN A 67 11.218 -0.006 -7.631 1.00 0.00 H new ATOM 0 HB3 GLN A 67 9.645 0.725 -7.383 1.00 0.00 H new ATOM 0 HG2 GLN A 67 10.557 2.977 -7.624 1.00 0.00 H new ATOM 0 HG3 GLN A 67 12.205 2.383 -7.567 1.00 0.00 H new ATOM 0 HE21 GLN A 67 12.052 0.123 -9.310 1.00 0.00 H new ATOM 0 HE22 GLN A 67 11.654 0.695 -10.933 1.00 0.00 H new ATOM 1017 N VAL A 68 8.854 0.386 -4.710 1.00 0.00 N ATOM 1018 CA VAL A 68 7.584 0.697 -3.997 1.00 0.00 C ATOM 1019 C VAL A 68 7.899 1.146 -2.568 1.00 0.00 C ATOM 1020 O VAL A 68 7.498 2.210 -2.138 1.00 0.00 O ATOM 1021 CB VAL A 68 6.702 -0.552 -3.956 1.00 0.00 C ATOM 1022 CG1 VAL A 68 5.353 -0.205 -3.324 1.00 0.00 C ATOM 1023 CG2 VAL A 68 6.480 -1.064 -5.380 1.00 0.00 C ATOM 0 H VAL A 68 8.983 -0.595 -4.959 1.00 0.00 H new ATOM 0 HA VAL A 68 7.059 1.495 -4.522 1.00 0.00 H new ATOM 0 HB VAL A 68 7.193 -1.324 -3.363 1.00 0.00 H new ATOM 0 HG11 VAL A 68 4.725 -1.095 -3.295 1.00 0.00 H new ATOM 0 HG12 VAL A 68 5.510 0.161 -2.310 1.00 0.00 H new ATOM 0 HG13 VAL A 68 4.861 0.567 -3.916 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.852 -1.954 -5.353 1.00 0.00 H new ATOM 0 HG22 VAL A 68 5.989 -0.291 -5.972 1.00 0.00 H new ATOM 0 HG23 VAL A 68 7.441 -1.312 -5.831 1.00 0.00 H new ATOM 1033 N GLU A 69 8.614 0.343 -1.827 1.00 0.00 N ATOM 1034 CA GLU A 69 8.953 0.725 -0.428 1.00 0.00 C ATOM 1035 C GLU A 69 9.409 2.185 -0.395 1.00 0.00 C ATOM 1036 O GLU A 69 9.142 2.908 0.544 1.00 0.00 O ATOM 1037 CB GLU A 69 10.079 -0.173 0.088 1.00 0.00 C ATOM 1038 CG GLU A 69 9.509 -1.542 0.464 1.00 0.00 C ATOM 1039 CD GLU A 69 10.400 -2.643 -0.113 1.00 0.00 C ATOM 1040 OE1 GLU A 69 11.546 -2.727 0.295 1.00 0.00 O ATOM 1041 OE2 GLU A 69 9.921 -3.385 -0.955 1.00 0.00 O ATOM 0 H GLU A 69 8.977 -0.560 -2.131 1.00 0.00 H new ATOM 0 HA GLU A 69 8.074 0.604 0.205 1.00 0.00 H new ATOM 0 HB2 GLU A 69 10.848 -0.285 -0.676 1.00 0.00 H new ATOM 0 HB3 GLU A 69 10.555 0.285 0.955 1.00 0.00 H new ATOM 0 HG2 GLU A 69 9.451 -1.638 1.548 1.00 0.00 H new ATOM 0 HG3 GLU A 69 8.494 -1.643 0.080 1.00 0.00 H new ATOM 1048 N ASN A 70 10.096 2.625 -1.413 1.00 0.00 N ATOM 1049 CA ASN A 70 10.570 4.038 -1.439 1.00 0.00 C ATOM 1050 C ASN A 70 9.364 4.977 -1.529 1.00 0.00 C ATOM 1051 O ASN A 70 9.461 6.154 -1.245 1.00 0.00 O ATOM 1052 CB ASN A 70 11.473 4.250 -2.656 1.00 0.00 C ATOM 1053 CG ASN A 70 12.777 3.474 -2.464 1.00 0.00 C ATOM 1054 OD1 ASN A 70 12.850 2.301 -2.774 1.00 0.00 O ATOM 1055 ND2 ASN A 70 13.817 4.082 -1.964 1.00 0.00 N ATOM 0 H ASN A 70 10.350 2.067 -2.228 1.00 0.00 H new ATOM 0 HA ASN A 70 11.131 4.251 -0.529 1.00 0.00 H new ATOM 0 HB2 ASN A 70 10.967 3.914 -3.561 1.00 0.00 H new ATOM 0 HB3 ASN A 70 11.684 5.311 -2.785 1.00 0.00 H new ATOM 0 HD21 ASN A 70 14.691 3.573 -1.833 1.00 0.00 H new ATOM 0 HD22 ASN A 70 13.756 5.066 -1.704 1.00 0.00 H new ATOM 1062 N GLU A 71 8.231 4.466 -1.923 1.00 0.00 N ATOM 1063 CA GLU A 71 7.022 5.330 -2.030 1.00 0.00 C ATOM 1064 C GLU A 71 6.037 4.972 -0.916 1.00 0.00 C ATOM 1065 O GLU A 71 5.034 5.631 -0.724 1.00 0.00 O ATOM 1066 CB GLU A 71 6.355 5.108 -3.389 1.00 0.00 C ATOM 1067 CG GLU A 71 6.896 6.125 -4.396 1.00 0.00 C ATOM 1068 CD GLU A 71 8.409 5.947 -4.538 1.00 0.00 C ATOM 1069 OE1 GLU A 71 8.819 4.932 -5.077 1.00 0.00 O ATOM 1070 OE2 GLU A 71 9.132 6.829 -4.106 1.00 0.00 O ATOM 0 H GLU A 71 8.090 3.488 -2.175 1.00 0.00 H new ATOM 0 HA GLU A 71 7.315 6.376 -1.934 1.00 0.00 H new ATOM 0 HB2 GLU A 71 6.549 4.094 -3.740 1.00 0.00 H new ATOM 0 HB3 GLU A 71 5.274 5.212 -3.297 1.00 0.00 H new ATOM 0 HG2 GLU A 71 6.411 5.989 -5.363 1.00 0.00 H new ATOM 0 HG3 GLU A 71 6.668 7.138 -4.064 1.00 0.00 H new ATOM 1077 N PHE A 72 6.315 3.933 -0.176 1.00 0.00 N ATOM 1078 CA PHE A 72 5.395 3.535 0.925 1.00 0.00 C ATOM 1079 C PHE A 72 6.208 2.955 2.084 1.00 0.00 C ATOM 1080 O PHE A 72 5.679 2.294 2.957 1.00 0.00 O ATOM 1081 CB PHE A 72 4.413 2.478 0.413 1.00 0.00 C ATOM 1082 CG PHE A 72 3.525 3.088 -0.646 1.00 0.00 C ATOM 1083 CD1 PHE A 72 2.430 3.875 -0.271 1.00 0.00 C ATOM 1084 CD2 PHE A 72 3.797 2.866 -2.000 1.00 0.00 C ATOM 1085 CE1 PHE A 72 1.606 4.440 -1.252 1.00 0.00 C ATOM 1086 CE2 PHE A 72 2.973 3.430 -2.982 1.00 0.00 C ATOM 1087 CZ PHE A 72 1.877 4.217 -2.607 1.00 0.00 C ATOM 0 H PHE A 72 7.140 3.343 -0.287 1.00 0.00 H new ATOM 0 HA PHE A 72 4.842 4.409 1.270 1.00 0.00 H new ATOM 0 HB2 PHE A 72 4.958 1.629 0.001 1.00 0.00 H new ATOM 0 HB3 PHE A 72 3.808 2.099 1.236 1.00 0.00 H new ATOM 0 HD1 PHE A 72 2.221 4.046 0.775 1.00 0.00 H new ATOM 0 HD2 PHE A 72 4.643 2.259 -2.288 1.00 0.00 H new ATOM 0 HE1 PHE A 72 0.761 5.048 -0.963 1.00 0.00 H new ATOM 0 HE2 PHE A 72 3.183 3.258 -4.027 1.00 0.00 H new ATOM 0 HZ PHE A 72 1.241 4.652 -3.364 1.00 0.00 H new ATOM 1097 N GLY A 73 7.490 3.196 2.102 1.00 0.00 N ATOM 1098 CA GLY A 73 8.335 2.658 3.204 1.00 0.00 C ATOM 1099 C GLY A 73 8.028 1.173 3.406 1.00 0.00 C ATOM 1100 O GLY A 73 7.950 0.412 2.463 1.00 0.00 O ATOM 0 H GLY A 73 7.989 3.743 1.400 1.00 0.00 H new ATOM 0 HA2 GLY A 73 9.390 2.793 2.966 1.00 0.00 H new ATOM 0 HA3 GLY A 73 8.143 3.208 4.125 1.00 0.00 H new ATOM 1104 N LYS A 74 7.855 0.754 4.630 1.00 0.00 N ATOM 1105 CA LYS A 74 7.554 -0.681 4.891 1.00 0.00 C ATOM 1106 C LYS A 74 6.530 -1.181 3.869 1.00 0.00 C ATOM 1107 O LYS A 74 5.371 -0.817 3.908 1.00 0.00 O ATOM 1108 CB LYS A 74 6.983 -0.835 6.302 1.00 0.00 C ATOM 1109 CG LYS A 74 7.393 -2.193 6.874 1.00 0.00 C ATOM 1110 CD LYS A 74 6.751 -3.310 6.049 1.00 0.00 C ATOM 1111 CE LYS A 74 6.529 -4.538 6.935 1.00 0.00 C ATOM 1112 NZ LYS A 74 7.797 -4.876 7.641 1.00 0.00 N ATOM 0 H LYS A 74 7.909 1.344 5.460 1.00 0.00 H new ATOM 0 HA LYS A 74 8.470 -1.266 4.804 1.00 0.00 H new ATOM 0 HB2 LYS A 74 7.349 -0.033 6.943 1.00 0.00 H new ATOM 0 HB3 LYS A 74 5.896 -0.752 6.277 1.00 0.00 H new ATOM 0 HG2 LYS A 74 8.478 -2.293 6.859 1.00 0.00 H new ATOM 0 HG3 LYS A 74 7.080 -2.270 7.915 1.00 0.00 H new ATOM 0 HD2 LYS A 74 5.801 -2.971 5.635 1.00 0.00 H new ATOM 0 HD3 LYS A 74 7.392 -3.568 5.206 1.00 0.00 H new ATOM 0 HE2 LYS A 74 5.739 -4.339 7.659 1.00 0.00 H new ATOM 0 HE3 LYS A 74 6.201 -5.383 6.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 7.756 -5.859 7.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 8.598 -4.767 6.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 7.923 -4.238 8.452 1.00 0.00 H new ATOM 1126 N GLY A 75 6.948 -2.013 2.954 1.00 0.00 N ATOM 1127 CA GLY A 75 5.997 -2.534 1.932 1.00 0.00 C ATOM 1128 C GLY A 75 4.877 -3.313 2.623 1.00 0.00 C ATOM 1129 O GLY A 75 4.957 -4.513 2.794 1.00 0.00 O ATOM 0 H GLY A 75 7.906 -2.354 2.870 1.00 0.00 H new ATOM 0 HA2 GLY A 75 5.578 -1.709 1.356 1.00 0.00 H new ATOM 0 HA3 GLY A 75 6.522 -3.180 1.228 1.00 0.00 H new ATOM 1133 N LYS A 76 3.833 -2.640 3.021 1.00 0.00 N ATOM 1134 CA LYS A 76 2.708 -3.344 3.701 1.00 0.00 C ATOM 1135 C LYS A 76 2.026 -4.289 2.709 1.00 0.00 C ATOM 1136 O LYS A 76 2.423 -4.396 1.565 1.00 0.00 O ATOM 1137 CB LYS A 76 1.693 -2.315 4.206 1.00 0.00 C ATOM 1138 CG LYS A 76 2.325 -1.480 5.322 1.00 0.00 C ATOM 1139 CD LYS A 76 1.961 -0.007 5.127 1.00 0.00 C ATOM 1140 CE LYS A 76 2.298 0.775 6.397 1.00 0.00 C ATOM 1141 NZ LYS A 76 1.495 2.030 6.435 1.00 0.00 N ATOM 0 H LYS A 76 3.710 -1.634 2.905 1.00 0.00 H new ATOM 0 HA LYS A 76 3.094 -3.917 4.544 1.00 0.00 H new ATOM 0 HB2 LYS A 76 1.377 -1.668 3.388 1.00 0.00 H new ATOM 0 HB3 LYS A 76 0.801 -2.820 4.576 1.00 0.00 H new ATOM 0 HG2 LYS A 76 1.973 -1.827 6.294 1.00 0.00 H new ATOM 0 HG3 LYS A 76 3.408 -1.602 5.313 1.00 0.00 H new ATOM 0 HD2 LYS A 76 2.508 0.404 4.278 1.00 0.00 H new ATOM 0 HD3 LYS A 76 0.899 0.089 4.899 1.00 0.00 H new ATOM 0 HE2 LYS A 76 2.086 0.168 7.277 1.00 0.00 H new ATOM 0 HE3 LYS A 76 3.362 1.010 6.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 1.724 2.562 7.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 1.718 2.610 5.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 0.482 1.794 6.432 1.00 0.00 H new ATOM 1155 N LYS A 77 1.002 -4.975 3.138 1.00 0.00 N ATOM 1156 CA LYS A 77 0.297 -5.913 2.219 1.00 0.00 C ATOM 1157 C LYS A 77 0.014 -5.208 0.890 1.00 0.00 C ATOM 1158 O LYS A 77 -0.366 -4.055 0.857 1.00 0.00 O ATOM 1159 CB LYS A 77 -1.024 -6.353 2.854 1.00 0.00 C ATOM 1160 CG LYS A 77 -0.769 -7.532 3.796 1.00 0.00 C ATOM 1161 CD LYS A 77 -1.573 -7.341 5.083 1.00 0.00 C ATOM 1162 CE LYS A 77 -1.815 -8.701 5.740 1.00 0.00 C ATOM 1163 NZ LYS A 77 -0.511 -9.398 5.932 1.00 0.00 N ATOM 0 H LYS A 77 0.623 -4.927 4.084 1.00 0.00 H new ATOM 0 HA LYS A 77 0.923 -6.787 2.041 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -1.469 -5.524 3.404 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -1.735 -6.640 2.079 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -1.054 -8.466 3.312 1.00 0.00 H new ATOM 0 HG3 LYS A 77 0.294 -7.604 4.026 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -1.034 -6.685 5.767 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -2.525 -6.858 4.862 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -2.314 -8.570 6.700 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -2.475 -9.306 5.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -0.620 -10.147 6.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -0.206 -9.819 5.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 0.204 -8.715 6.254 1.00 0.00 H new ATOM 1177 N ILE A 78 0.195 -5.894 -0.206 1.00 0.00 N ATOM 1178 CA ILE A 78 -0.063 -5.264 -1.531 1.00 0.00 C ATOM 1179 C ILE A 78 -1.475 -4.675 -1.549 1.00 0.00 C ATOM 1180 O ILE A 78 -1.779 -3.789 -2.323 1.00 0.00 O ATOM 1181 CB ILE A 78 0.064 -6.319 -2.631 1.00 0.00 C ATOM 1182 CG1 ILE A 78 -0.017 -5.639 -4.000 1.00 0.00 C ATOM 1183 CG2 ILE A 78 -1.073 -7.334 -2.500 1.00 0.00 C ATOM 1184 CD1 ILE A 78 1.392 -5.467 -4.569 1.00 0.00 C ATOM 0 H ILE A 78 0.510 -6.863 -0.240 1.00 0.00 H new ATOM 0 HA ILE A 78 0.664 -4.470 -1.704 1.00 0.00 H new ATOM 0 HB ILE A 78 1.021 -6.831 -2.534 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -0.624 -6.237 -4.679 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -0.504 -4.668 -3.907 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -0.982 -8.086 -3.284 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -1.018 -7.818 -1.525 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -2.031 -6.822 -2.597 1.00 0.00 H new ATOM 0 HD11 ILE A 78 1.334 -4.983 -5.544 1.00 0.00 H new ATOM 0 HD12 ILE A 78 1.985 -4.851 -3.893 1.00 0.00 H new ATOM 0 HD13 ILE A 78 1.863 -6.444 -4.677 1.00 0.00 H new ATOM 1196 N GLU A 79 -2.342 -5.160 -0.703 1.00 0.00 N ATOM 1197 CA GLU A 79 -3.733 -4.628 -0.673 1.00 0.00 C ATOM 1198 C GLU A 79 -3.732 -3.233 -0.044 1.00 0.00 C ATOM 1199 O GLU A 79 -4.564 -2.402 -0.353 1.00 0.00 O ATOM 1200 CB GLU A 79 -4.619 -5.561 0.155 1.00 0.00 C ATOM 1201 CG GLU A 79 -4.611 -6.958 -0.467 1.00 0.00 C ATOM 1202 CD GLU A 79 -5.406 -7.918 0.422 1.00 0.00 C ATOM 1203 OE1 GLU A 79 -5.852 -7.488 1.472 1.00 0.00 O ATOM 1204 OE2 GLU A 79 -5.554 -9.066 0.036 1.00 0.00 O ATOM 0 H GLU A 79 -2.147 -5.902 -0.031 1.00 0.00 H new ATOM 0 HA GLU A 79 -4.121 -4.568 -1.690 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -4.257 -5.607 1.182 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -5.637 -5.174 0.193 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -5.047 -6.925 -1.466 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -3.586 -7.312 -0.578 1.00 0.00 H new ATOM 1211 N GLU A 80 -2.805 -2.970 0.835 1.00 0.00 N ATOM 1212 CA GLU A 80 -2.751 -1.629 1.483 1.00 0.00 C ATOM 1213 C GLU A 80 -2.081 -0.631 0.537 1.00 0.00 C ATOM 1214 O GLU A 80 -2.574 0.457 0.316 1.00 0.00 O ATOM 1215 CB GLU A 80 -1.945 -1.722 2.781 1.00 0.00 C ATOM 1216 CG GLU A 80 -2.899 -1.718 3.976 1.00 0.00 C ATOM 1217 CD GLU A 80 -3.877 -2.888 3.854 1.00 0.00 C ATOM 1218 OE1 GLU A 80 -4.285 -3.180 2.742 1.00 0.00 O ATOM 1219 OE2 GLU A 80 -4.201 -3.473 4.875 1.00 0.00 O ATOM 0 H GLU A 80 -2.082 -3.625 1.133 1.00 0.00 H new ATOM 0 HA GLU A 80 -3.763 -1.293 1.707 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -1.345 -2.632 2.784 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -1.253 -0.883 2.852 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -2.335 -1.798 4.905 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -3.446 -0.776 4.015 1.00 0.00 H new ATOM 1226 N VAL A 81 -0.960 -0.994 -0.025 1.00 0.00 N ATOM 1227 CA VAL A 81 -0.258 -0.065 -0.956 1.00 0.00 C ATOM 1228 C VAL A 81 -1.243 0.439 -2.012 1.00 0.00 C ATOM 1229 O VAL A 81 -1.338 1.622 -2.272 1.00 0.00 O ATOM 1230 CB VAL A 81 0.891 -0.805 -1.643 1.00 0.00 C ATOM 1231 CG1 VAL A 81 1.347 -0.014 -2.870 1.00 0.00 C ATOM 1232 CG2 VAL A 81 2.060 -0.946 -0.665 1.00 0.00 C ATOM 0 H VAL A 81 -0.500 -1.893 0.120 1.00 0.00 H new ATOM 0 HA VAL A 81 0.138 0.782 -0.395 1.00 0.00 H new ATOM 0 HB VAL A 81 0.553 -1.794 -1.954 1.00 0.00 H new ATOM 0 HG11 VAL A 81 2.166 -0.542 -3.359 1.00 0.00 H new ATOM 0 HG12 VAL A 81 0.515 0.090 -3.566 1.00 0.00 H new ATOM 0 HG13 VAL A 81 1.686 0.975 -2.560 1.00 0.00 H new ATOM 0 HG21 VAL A 81 2.880 -1.473 -1.152 1.00 0.00 H new ATOM 0 HG22 VAL A 81 2.397 0.043 -0.356 1.00 0.00 H new ATOM 0 HG23 VAL A 81 1.736 -1.509 0.210 1.00 0.00 H new ATOM 1242 N ILE A 82 -1.978 -0.449 -2.624 1.00 0.00 N ATOM 1243 CA ILE A 82 -2.956 -0.018 -3.663 1.00 0.00 C ATOM 1244 C ILE A 82 -4.031 0.859 -3.020 1.00 0.00 C ATOM 1245 O ILE A 82 -4.505 1.809 -3.610 1.00 0.00 O ATOM 1246 CB ILE A 82 -3.610 -1.251 -4.290 1.00 0.00 C ATOM 1247 CG1 ILE A 82 -2.579 -1.999 -5.139 1.00 0.00 C ATOM 1248 CG2 ILE A 82 -4.779 -0.815 -5.175 1.00 0.00 C ATOM 1249 CD1 ILE A 82 -3.190 -3.303 -5.654 1.00 0.00 C ATOM 0 H ILE A 82 -1.944 -1.453 -2.450 1.00 0.00 H new ATOM 0 HA ILE A 82 -2.438 0.551 -4.435 1.00 0.00 H new ATOM 0 HB ILE A 82 -3.977 -1.908 -3.501 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -2.263 -1.378 -5.977 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -1.689 -2.211 -4.546 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -5.245 -1.694 -5.622 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -5.514 -0.282 -4.571 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -4.413 -0.158 -5.964 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -2.455 -3.835 -6.258 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -3.484 -3.926 -4.809 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -4.066 -3.079 -6.262 1.00 0.00 H new ATOM 1261 N ASP A 83 -4.421 0.550 -1.814 1.00 0.00 N ATOM 1262 CA ASP A 83 -5.465 1.366 -1.135 1.00 0.00 C ATOM 1263 C ASP A 83 -4.993 2.818 -1.036 1.00 0.00 C ATOM 1264 O ASP A 83 -5.578 3.712 -1.615 1.00 0.00 O ATOM 1265 CB ASP A 83 -5.712 0.814 0.271 1.00 0.00 C ATOM 1266 CG ASP A 83 -6.946 1.487 0.874 1.00 0.00 C ATOM 1267 OD1 ASP A 83 -7.530 2.323 0.203 1.00 0.00 O ATOM 1268 OD2 ASP A 83 -7.288 1.154 1.997 1.00 0.00 O ATOM 0 H ASP A 83 -4.061 -0.234 -1.269 1.00 0.00 H new ATOM 0 HA ASP A 83 -6.390 1.322 -1.710 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -5.857 -0.265 0.229 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -4.842 0.994 0.902 1.00 0.00 H new ATOM 1273 N LEU A 84 -3.938 3.060 -0.307 1.00 0.00 N ATOM 1274 CA LEU A 84 -3.429 4.454 -0.172 1.00 0.00 C ATOM 1275 C LEU A 84 -3.476 5.149 -1.535 1.00 0.00 C ATOM 1276 O LEU A 84 -3.925 6.270 -1.656 1.00 0.00 O ATOM 1277 CB LEU A 84 -1.985 4.423 0.334 1.00 0.00 C ATOM 1278 CG LEU A 84 -1.958 3.890 1.768 1.00 0.00 C ATOM 1279 CD1 LEU A 84 -0.508 3.696 2.214 1.00 0.00 C ATOM 1280 CD2 LEU A 84 -2.646 4.894 2.696 1.00 0.00 C ATOM 0 H LEU A 84 -3.407 2.353 0.201 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.051 5.001 0.537 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -1.376 3.791 -0.312 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.554 5.424 0.299 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.481 2.935 1.811 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.489 3.316 3.236 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.016 2.983 1.553 1.00 0.00 H new ATOM 0 HD13 LEU A 84 0.016 4.651 2.172 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.628 4.516 3.718 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.121 5.848 2.653 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -3.680 5.033 2.379 1.00 0.00 H new ATOM 1292 N ILE A 85 -3.016 4.489 -2.564 1.00 0.00 N ATOM 1293 CA ILE A 85 -3.036 5.113 -3.917 1.00 0.00 C ATOM 1294 C ILE A 85 -4.472 5.494 -4.283 1.00 0.00 C ATOM 1295 O ILE A 85 -4.772 6.641 -4.548 1.00 0.00 O ATOM 1296 CB ILE A 85 -2.496 4.117 -4.945 1.00 0.00 C ATOM 1297 CG1 ILE A 85 -1.005 3.880 -4.690 1.00 0.00 C ATOM 1298 CG2 ILE A 85 -2.687 4.682 -6.354 1.00 0.00 C ATOM 1299 CD1 ILE A 85 -0.481 2.826 -5.667 1.00 0.00 C ATOM 0 H ILE A 85 -2.628 3.546 -2.526 1.00 0.00 H new ATOM 0 HA ILE A 85 -2.413 6.007 -3.914 1.00 0.00 H new ATOM 0 HB ILE A 85 -3.036 3.174 -4.855 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -0.452 4.811 -4.812 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -0.849 3.549 -3.663 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -2.302 3.972 -7.086 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -3.748 4.852 -6.537 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -2.147 5.625 -6.444 1.00 0.00 H new ATOM 0 HD11 ILE A 85 0.580 2.657 -5.485 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -1.026 1.893 -5.523 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -0.623 3.175 -6.690 1.00 0.00 H new ATOM 1311 N LEU A 86 -5.363 4.540 -4.297 1.00 0.00 N ATOM 1312 CA LEU A 86 -6.779 4.848 -4.645 1.00 0.00 C ATOM 1313 C LEU A 86 -7.310 5.933 -3.707 1.00 0.00 C ATOM 1314 O LEU A 86 -8.396 6.447 -3.888 1.00 0.00 O ATOM 1315 CB LEU A 86 -7.628 3.584 -4.494 1.00 0.00 C ATOM 1316 CG LEU A 86 -7.047 2.470 -5.367 1.00 0.00 C ATOM 1317 CD1 LEU A 86 -7.426 1.110 -4.778 1.00 0.00 C ATOM 1318 CD2 LEU A 86 -7.614 2.587 -6.783 1.00 0.00 C ATOM 0 H LEU A 86 -5.171 3.561 -4.083 1.00 0.00 H new ATOM 0 HA LEU A 86 -6.831 5.200 -5.675 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -7.648 3.269 -3.451 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -8.658 3.788 -4.785 1.00 0.00 H new ATOM 0 HG LEU A 86 -5.961 2.562 -5.400 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -7.012 0.316 -5.400 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -7.025 1.026 -3.768 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -8.512 1.017 -4.746 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -7.201 1.794 -7.407 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -8.700 2.494 -6.749 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -7.346 3.556 -7.203 1.00 0.00 H new ATOM 1330 N ARG A 87 -6.553 6.288 -2.705 1.00 0.00 N ATOM 1331 CA ARG A 87 -7.016 7.340 -1.756 1.00 0.00 C ATOM 1332 C ARG A 87 -6.159 8.595 -1.927 1.00 0.00 C ATOM 1333 O ARG A 87 -6.554 9.683 -1.556 1.00 0.00 O ATOM 1334 CB ARG A 87 -6.884 6.824 -0.321 1.00 0.00 C ATOM 1335 CG ARG A 87 -8.101 7.267 0.494 1.00 0.00 C ATOM 1336 CD ARG A 87 -7.757 7.228 1.984 1.00 0.00 C ATOM 1337 NE ARG A 87 -8.823 6.493 2.731 1.00 0.00 N ATOM 1338 CZ ARG A 87 -10.087 6.698 2.466 1.00 0.00 C ATOM 1339 NH1 ARG A 87 -10.440 7.607 1.599 1.00 0.00 N ATOM 1340 NH2 ARG A 87 -11.001 6.006 3.089 1.00 0.00 N ATOM 0 H ARG A 87 -5.634 5.895 -2.502 1.00 0.00 H new ATOM 0 HA ARG A 87 -8.059 7.582 -1.962 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -6.808 5.737 -0.320 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -5.970 7.208 0.132 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -8.399 8.275 0.205 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -8.948 6.613 0.288 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -6.794 6.739 2.132 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -7.662 8.242 2.371 1.00 0.00 H new ATOM 0 HE ARG A 87 -8.562 5.824 3.455 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -9.728 8.162 1.124 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -11.428 7.762 1.396 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -10.729 5.307 3.781 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -11.988 6.164 2.884 1.00 0.00 H new ATOM 1354 N ASN A 88 -4.987 8.455 -2.484 1.00 0.00 N ATOM 1355 CA ASN A 88 -4.108 9.643 -2.676 1.00 0.00 C ATOM 1356 C ASN A 88 -3.398 9.542 -4.027 1.00 0.00 C ATOM 1357 O ASN A 88 -2.193 9.396 -4.096 1.00 0.00 O ATOM 1358 CB ASN A 88 -3.067 9.692 -1.555 1.00 0.00 C ATOM 1359 CG ASN A 88 -2.396 11.066 -1.543 1.00 0.00 C ATOM 1360 OD1 ASN A 88 -1.214 11.176 -1.281 1.00 0.00 O ATOM 1361 ND2 ASN A 88 -3.103 12.128 -1.817 1.00 0.00 N ATOM 0 H ASN A 88 -4.601 7.571 -2.814 1.00 0.00 H new ATOM 0 HA ASN A 88 -4.713 10.550 -2.652 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -3.543 9.499 -0.593 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -2.320 8.912 -1.703 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -2.664 13.049 -1.811 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -4.095 12.038 -2.037 1.00 0.00 H new ATOM 1368 N GLY A 89 -4.133 9.619 -5.102 1.00 0.00 N ATOM 1369 CA GLY A 89 -3.498 9.528 -6.447 1.00 0.00 C ATOM 1370 C GLY A 89 -4.281 10.389 -7.439 1.00 0.00 C ATOM 1371 O GLY A 89 -4.704 11.484 -7.127 1.00 0.00 O ATOM 0 H GLY A 89 -5.146 9.741 -5.107 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -2.462 9.864 -6.396 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -3.480 8.491 -6.783 1.00 0.00 H new ATOM 1375 N LYS A 90 -4.478 9.900 -8.633 1.00 0.00 N ATOM 1376 CA LYS A 90 -5.234 10.687 -9.649 1.00 0.00 C ATOM 1377 C LYS A 90 -6.344 11.485 -8.958 1.00 0.00 C ATOM 1378 O LYS A 90 -7.401 10.960 -8.667 1.00 0.00 O ATOM 1379 CB LYS A 90 -5.856 9.732 -10.669 1.00 0.00 C ATOM 1380 CG LYS A 90 -6.650 10.535 -11.701 1.00 0.00 C ATOM 1381 CD LYS A 90 -7.214 9.588 -12.763 1.00 0.00 C ATOM 1382 CE LYS A 90 -8.719 9.415 -12.547 1.00 0.00 C ATOM 1383 NZ LYS A 90 -9.412 10.706 -12.822 1.00 0.00 N ATOM 0 H LYS A 90 -4.148 8.988 -8.949 1.00 0.00 H new ATOM 0 HA LYS A 90 -4.555 11.373 -10.155 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -5.076 9.154 -11.164 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -6.510 9.020 -10.165 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -7.461 11.074 -11.212 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -6.008 11.281 -12.169 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -7.023 9.987 -13.759 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -6.714 8.621 -12.705 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -9.104 8.636 -13.205 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -8.916 9.095 -11.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -10.366 10.516 -13.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -9.483 11.256 -11.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -8.871 11.247 -13.526 1.00 0.00 H new