USER MOD reduce.3.24.130724 H: found=0, std=0, add=564, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 562 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 1 GLY N :NH3+ -124:sc= 0.0674 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 CYS SG : rot 120:sc= -3.82! USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -0.052 X(o=-0.052,f=-0.42) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= -0.364 USER MOD Single : A 35 HIS : no HD1:sc= -2.59! C(o=-2.6!,f=-3!) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -124:sc= -0.218 (180deg=-1.73!) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -0.955 K(o=-0.95,f=-2.4!) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 60 LYS NZ :NH3+ -165:sc= 0.0563 (180deg=0.0211) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -0.454 K(o=-0.45,f=-3.9!) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.037 25.260 -7.536 1.00 0.00 N ATOM 2 CA GLY A 1 7.321 25.020 -6.133 1.00 0.00 C ATOM 3 C GLY A 1 6.867 23.648 -5.676 1.00 0.00 C ATOM 4 O GLY A 1 6.486 22.809 -6.492 1.00 0.00 O ATOM 0 H1 GLY A 1 7.917 25.510 -8.030 1.00 0.00 H new ATOM 0 H2 GLY A 1 6.634 24.400 -7.961 1.00 0.00 H new ATOM 0 H3 GLY A 1 6.356 26.041 -7.624 1.00 0.00 H new ATOM 0 HA2 GLY A 1 8.392 25.121 -5.960 1.00 0.00 H new ATOM 0 HA3 GLY A 1 6.827 25.782 -5.530 1.00 0.00 H new ATOM 8 N SER A 2 6.910 23.417 -4.368 1.00 0.00 N ATOM 9 CA SER A 2 6.505 22.135 -3.804 1.00 0.00 C ATOM 10 C SER A 2 5.132 21.721 -4.325 1.00 0.00 C ATOM 11 O SER A 2 4.266 22.563 -4.559 1.00 0.00 O ATOM 12 CB SER A 2 6.482 22.210 -2.276 1.00 0.00 C ATOM 13 OG SER A 2 7.772 22.487 -1.759 1.00 0.00 O ATOM 0 H SER A 2 7.221 24.101 -3.679 1.00 0.00 H new ATOM 0 HA SER A 2 7.233 21.385 -4.113 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.785 22.985 -1.957 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.118 21.267 -1.868 1.00 0.00 H new ATOM 0 HG SER A 2 7.730 22.531 -0.781 1.00 0.00 H new ATOM 19 N SER A 3 4.943 20.418 -4.505 1.00 0.00 N ATOM 20 CA SER A 3 3.677 19.891 -5.002 1.00 0.00 C ATOM 21 C SER A 3 2.902 19.196 -3.887 1.00 0.00 C ATOM 22 O SER A 3 3.459 18.870 -2.839 1.00 0.00 O ATOM 23 CB SER A 3 3.924 18.914 -6.153 1.00 0.00 C ATOM 24 OG SER A 3 4.803 17.875 -5.760 1.00 0.00 O ATOM 0 H SER A 3 5.650 19.708 -4.314 1.00 0.00 H new ATOM 0 HA SER A 3 3.082 20.728 -5.367 1.00 0.00 H new ATOM 0 HB2 SER A 3 2.976 18.488 -6.482 1.00 0.00 H new ATOM 0 HB3 SER A 3 4.346 19.449 -7.004 1.00 0.00 H new ATOM 0 HG SER A 3 4.943 17.263 -6.513 1.00 0.00 H new ATOM 30 N GLY A 4 1.613 18.971 -4.121 1.00 0.00 N ATOM 31 CA GLY A 4 0.782 18.316 -3.129 1.00 0.00 C ATOM 32 C GLY A 4 0.637 19.135 -1.862 1.00 0.00 C ATOM 33 O GLY A 4 1.475 19.054 -0.963 1.00 0.00 O ATOM 0 H GLY A 4 1.129 19.231 -4.981 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -0.205 18.129 -3.552 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.212 17.345 -2.883 1.00 0.00 H new ATOM 37 N SER A 5 -0.428 19.927 -1.789 1.00 0.00 N ATOM 38 CA SER A 5 -0.676 20.770 -0.625 1.00 0.00 C ATOM 39 C SER A 5 -0.470 19.985 0.667 1.00 0.00 C ATOM 40 O SER A 5 -0.834 18.812 0.758 1.00 0.00 O ATOM 41 CB SER A 5 -2.097 21.334 -0.672 1.00 0.00 C ATOM 42 OG SER A 5 -2.135 22.565 -1.372 1.00 0.00 O ATOM 0 H SER A 5 -1.133 20.003 -2.522 1.00 0.00 H new ATOM 0 HA SER A 5 0.036 21.595 -0.645 1.00 0.00 H new ATOM 0 HB2 SER A 5 -2.760 20.617 -1.155 1.00 0.00 H new ATOM 0 HB3 SER A 5 -2.468 21.478 0.343 1.00 0.00 H new ATOM 0 HG SER A 5 -3.055 22.903 -1.389 1.00 0.00 H new ATOM 48 N SER A 6 0.115 20.641 1.664 1.00 0.00 N ATOM 49 CA SER A 6 0.374 20.005 2.950 1.00 0.00 C ATOM 50 C SER A 6 -0.816 19.154 3.384 1.00 0.00 C ATOM 51 O SER A 6 -0.693 17.944 3.571 1.00 0.00 O ATOM 52 CB SER A 6 0.674 21.062 4.014 1.00 0.00 C ATOM 53 OG SER A 6 1.909 21.708 3.756 1.00 0.00 O ATOM 0 H SER A 6 0.419 21.613 1.606 1.00 0.00 H new ATOM 0 HA SER A 6 1.242 19.355 2.838 1.00 0.00 H new ATOM 0 HB2 SER A 6 -0.128 21.799 4.035 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.703 20.594 4.998 1.00 0.00 H new ATOM 0 HG SER A 6 2.078 22.380 4.449 1.00 0.00 H new ATOM 59 N GLY A 7 -1.969 19.797 3.542 1.00 0.00 N ATOM 60 CA GLY A 7 -3.165 19.085 3.953 1.00 0.00 C ATOM 61 C GLY A 7 -3.329 17.762 3.231 1.00 0.00 C ATOM 62 O GLY A 7 -2.807 16.737 3.671 1.00 0.00 O ATOM 0 H GLY A 7 -2.096 20.798 3.393 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.127 18.907 5.028 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.039 19.709 3.764 1.00 0.00 H new ATOM 66 N LYS A 8 -4.057 17.782 2.120 1.00 0.00 N ATOM 67 CA LYS A 8 -4.290 16.575 1.335 1.00 0.00 C ATOM 68 C LYS A 8 -4.754 16.925 -0.075 1.00 0.00 C ATOM 69 O LYS A 8 -5.517 17.871 -0.272 1.00 0.00 O ATOM 70 CB LYS A 8 -5.331 15.689 2.021 1.00 0.00 C ATOM 71 CG LYS A 8 -5.773 14.505 1.178 1.00 0.00 C ATOM 72 CD LYS A 8 -4.744 13.388 1.202 1.00 0.00 C ATOM 73 CE LYS A 8 -5.221 12.173 0.420 1.00 0.00 C ATOM 74 NZ LYS A 8 -4.561 10.921 0.883 1.00 0.00 N ATOM 0 H LYS A 8 -4.496 18.621 1.742 1.00 0.00 H new ATOM 0 HA LYS A 8 -3.349 16.030 1.264 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -4.920 15.321 2.961 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -6.203 16.293 2.269 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -6.727 14.130 1.548 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -5.935 14.829 0.150 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -3.805 13.748 0.781 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -4.541 13.101 2.234 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -6.301 12.074 0.526 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -5.017 12.321 -0.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -4.913 10.117 0.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -3.532 11.005 0.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -4.777 10.766 1.889 1.00 0.00 H new ATOM 88 N VAL A 9 -4.290 16.155 -1.054 1.00 0.00 N ATOM 89 CA VAL A 9 -4.661 16.381 -2.446 1.00 0.00 C ATOM 90 C VAL A 9 -5.167 15.099 -3.096 1.00 0.00 C ATOM 91 O VAL A 9 -4.618 14.020 -2.873 1.00 0.00 O ATOM 92 CB VAL A 9 -3.471 16.922 -3.262 1.00 0.00 C ATOM 93 CG1 VAL A 9 -3.872 17.134 -4.714 1.00 0.00 C ATOM 94 CG2 VAL A 9 -2.950 18.214 -2.651 1.00 0.00 C ATOM 0 H VAL A 9 -3.656 15.369 -0.909 1.00 0.00 H new ATOM 0 HA VAL A 9 -5.460 17.123 -2.444 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.669 16.184 -3.235 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.019 17.516 -5.275 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -4.194 16.186 -5.145 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.691 17.852 -4.764 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -2.110 18.582 -3.240 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -3.744 18.960 -2.646 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.622 18.027 -1.629 1.00 0.00 H new ATOM 104 N TRP A 10 -6.216 15.224 -3.900 1.00 0.00 N ATOM 105 CA TRP A 10 -6.797 14.074 -4.584 1.00 0.00 C ATOM 106 C TRP A 10 -6.282 13.974 -6.015 1.00 0.00 C ATOM 107 O TRP A 10 -5.477 14.796 -6.455 1.00 0.00 O ATOM 108 CB TRP A 10 -8.324 14.172 -4.584 1.00 0.00 C ATOM 109 CG TRP A 10 -8.928 14.038 -3.219 1.00 0.00 C ATOM 110 CD1 TRP A 10 -9.515 15.027 -2.482 1.00 0.00 C ATOM 111 CD2 TRP A 10 -9.000 12.848 -2.427 1.00 0.00 C ATOM 112 NE1 TRP A 10 -9.950 14.522 -1.280 1.00 0.00 N ATOM 113 CE2 TRP A 10 -9.646 13.187 -1.222 1.00 0.00 C ATOM 114 CE3 TRP A 10 -8.585 11.527 -2.619 1.00 0.00 C ATOM 115 CZ2 TRP A 10 -9.884 12.254 -0.216 1.00 0.00 C ATOM 116 CZ3 TRP A 10 -8.821 10.602 -1.620 1.00 0.00 C ATOM 117 CH2 TRP A 10 -9.466 10.969 -0.431 1.00 0.00 C ATOM 0 H TRP A 10 -6.682 16.110 -4.095 1.00 0.00 H new ATOM 0 HA TRP A 10 -6.498 13.174 -4.047 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -8.619 15.130 -5.012 1.00 0.00 H new ATOM 0 HB3 TRP A 10 -8.731 13.395 -5.231 1.00 0.00 H new ATOM 0 HD1 TRP A 10 -9.622 16.054 -2.797 1.00 0.00 H new ATOM 0 HE1 TRP A 10 -10.422 15.055 -0.550 1.00 0.00 H new ATOM 0 HE3 TRP A 10 -8.088 11.234 -3.532 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 -10.381 12.535 0.701 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 -8.503 9.579 -1.758 1.00 0.00 H new ATOM 0 HH2 TRP A 10 -9.636 10.223 0.331 1.00 0.00 H new ATOM 128 N LYS A 11 -6.749 12.963 -6.739 1.00 0.00 N ATOM 129 CA LYS A 11 -6.337 12.756 -8.122 1.00 0.00 C ATOM 130 C LYS A 11 -7.287 11.799 -8.835 1.00 0.00 C ATOM 131 O LYS A 11 -7.923 10.944 -8.220 1.00 0.00 O ATOM 132 CB LYS A 11 -4.910 12.207 -8.173 1.00 0.00 C ATOM 133 CG LYS A 11 -4.711 10.951 -7.343 1.00 0.00 C ATOM 134 CD LYS A 11 -3.385 10.279 -7.657 1.00 0.00 C ATOM 135 CE LYS A 11 -2.228 10.971 -6.952 1.00 0.00 C ATOM 136 NZ LYS A 11 -0.913 10.585 -7.534 1.00 0.00 N ATOM 0 H LYS A 11 -7.414 12.273 -6.390 1.00 0.00 H new ATOM 0 HA LYS A 11 -6.368 13.718 -8.633 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -4.649 11.992 -9.209 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -4.221 12.976 -7.824 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -4.750 11.204 -6.284 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -5.527 10.254 -7.534 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -3.425 9.233 -7.352 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -3.216 10.291 -8.734 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -2.353 12.051 -7.023 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -2.245 10.717 -5.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -0.151 11.078 -7.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -0.782 9.557 -7.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -0.887 10.850 -8.539 1.00 0.00 H new ATOM 150 N PRO A 12 -7.386 11.944 -10.165 1.00 0.00 N ATOM 151 CA PRO A 12 -8.254 11.100 -10.991 1.00 0.00 C ATOM 152 C PRO A 12 -7.747 9.665 -11.087 1.00 0.00 C ATOM 153 O PRO A 12 -6.782 9.384 -11.795 1.00 0.00 O ATOM 154 CB PRO A 12 -8.206 11.777 -12.363 1.00 0.00 C ATOM 155 CG PRO A 12 -6.906 12.504 -12.381 1.00 0.00 C ATOM 156 CD PRO A 12 -6.657 12.943 -10.965 1.00 0.00 C ATOM 0 HA PRO A 12 -9.258 11.019 -10.575 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -8.261 11.044 -13.168 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -9.044 12.461 -12.497 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -6.103 11.858 -12.736 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -6.947 13.361 -13.054 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -5.593 12.949 -10.727 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -7.030 13.951 -10.785 1.00 0.00 H new ATOM 164 N GLY A 13 -8.406 8.760 -10.368 1.00 0.00 N ATOM 165 CA GLY A 13 -8.007 7.365 -10.387 1.00 0.00 C ATOM 166 C GLY A 13 -7.571 6.869 -9.023 1.00 0.00 C ATOM 167 O GLY A 13 -6.707 5.998 -8.918 1.00 0.00 O ATOM 0 H GLY A 13 -9.208 8.968 -9.774 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -8.839 6.757 -10.743 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -7.190 7.233 -11.096 1.00 0.00 H new ATOM 171 N ASP A 14 -8.168 7.424 -7.974 1.00 0.00 N ATOM 172 CA ASP A 14 -7.836 7.033 -6.609 1.00 0.00 C ATOM 173 C ASP A 14 -9.090 6.632 -5.838 1.00 0.00 C ATOM 174 O ASP A 14 -10.050 7.397 -5.756 1.00 0.00 O ATOM 175 CB ASP A 14 -7.123 8.177 -5.887 1.00 0.00 C ATOM 176 CG ASP A 14 -5.623 8.154 -6.105 1.00 0.00 C ATOM 177 OD1 ASP A 14 -5.189 7.723 -7.194 1.00 0.00 O ATOM 178 OD2 ASP A 14 -4.883 8.566 -5.188 1.00 0.00 O ATOM 0 H ASP A 14 -8.885 8.146 -8.043 1.00 0.00 H new ATOM 0 HA ASP A 14 -7.169 6.172 -6.656 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -7.523 9.129 -6.236 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -7.333 8.116 -4.819 1.00 0.00 H new ATOM 183 N GLU A 15 -9.073 5.427 -5.277 1.00 0.00 N ATOM 184 CA GLU A 15 -10.210 4.924 -4.515 1.00 0.00 C ATOM 185 C GLU A 15 -10.410 5.735 -3.237 1.00 0.00 C ATOM 186 O GLU A 15 -9.473 5.938 -2.465 1.00 0.00 O ATOM 187 CB GLU A 15 -10.008 3.448 -4.168 1.00 0.00 C ATOM 188 CG GLU A 15 -8.705 3.167 -3.439 1.00 0.00 C ATOM 189 CD GLU A 15 -8.227 1.740 -3.627 1.00 0.00 C ATOM 190 OE1 GLU A 15 -8.909 0.816 -3.138 1.00 0.00 O ATOM 191 OE2 GLU A 15 -7.170 1.549 -4.264 1.00 0.00 O ATOM 0 H GLU A 15 -8.285 4.782 -5.336 1.00 0.00 H new ATOM 0 HA GLU A 15 -11.102 5.025 -5.133 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -10.840 3.112 -3.550 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -10.035 2.861 -5.086 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -7.938 3.853 -3.797 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -8.838 3.364 -2.375 1.00 0.00 H new ATOM 198 N CYS A 16 -11.638 6.196 -3.022 1.00 0.00 N ATOM 199 CA CYS A 16 -11.961 6.986 -1.839 1.00 0.00 C ATOM 200 C CYS A 16 -13.424 6.803 -1.448 1.00 0.00 C ATOM 201 O CYS A 16 -14.143 6.003 -2.046 1.00 0.00 O ATOM 202 CB CYS A 16 -11.669 8.465 -2.093 1.00 0.00 C ATOM 203 SG CYS A 16 -12.235 9.064 -3.703 1.00 0.00 S ATOM 0 H CYS A 16 -12.425 6.036 -3.651 1.00 0.00 H new ATOM 0 HA CYS A 16 -11.337 6.637 -1.016 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -12.143 9.057 -1.310 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -10.595 8.631 -2.013 1.00 0.00 H new ATOM 0 HG CYS A 16 -13.096 10.023 -3.531 1.00 0.00 H new ATOM 209 N PHE A 17 -13.858 7.550 -0.437 1.00 0.00 N ATOM 210 CA PHE A 17 -15.235 7.468 0.037 1.00 0.00 C ATOM 211 C PHE A 17 -15.942 8.812 -0.113 1.00 0.00 C ATOM 212 O PHE A 17 -15.561 9.799 0.516 1.00 0.00 O ATOM 213 CB PHE A 17 -15.267 7.023 1.500 1.00 0.00 C ATOM 214 CG PHE A 17 -15.347 5.533 1.671 1.00 0.00 C ATOM 215 CD1 PHE A 17 -16.569 4.881 1.619 1.00 0.00 C ATOM 216 CD2 PHE A 17 -14.201 4.784 1.886 1.00 0.00 C ATOM 217 CE1 PHE A 17 -16.646 3.510 1.775 1.00 0.00 C ATOM 218 CE2 PHE A 17 -14.273 3.413 2.043 1.00 0.00 C ATOM 219 CZ PHE A 17 -15.497 2.775 1.989 1.00 0.00 C ATOM 0 H PHE A 17 -13.277 8.218 0.069 1.00 0.00 H new ATOM 0 HA PHE A 17 -15.760 6.731 -0.571 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -14.373 7.391 2.003 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -16.123 7.484 1.993 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -17.471 5.451 1.455 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -13.241 5.277 1.931 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -17.604 3.014 1.730 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -13.372 2.840 2.208 1.00 0.00 H new ATOM 0 HZ PHE A 17 -15.555 1.704 2.114 1.00 0.00 H new ATOM 229 N ALA A 18 -16.972 8.842 -0.951 1.00 0.00 N ATOM 230 CA ALA A 18 -17.734 10.063 -1.183 1.00 0.00 C ATOM 231 C ALA A 18 -19.144 9.946 -0.616 1.00 0.00 C ATOM 232 O ALA A 18 -19.810 8.924 -0.785 1.00 0.00 O ATOM 233 CB ALA A 18 -17.785 10.378 -2.671 1.00 0.00 C ATOM 0 H ALA A 18 -17.299 8.034 -1.481 1.00 0.00 H new ATOM 0 HA ALA A 18 -17.230 10.880 -0.667 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -18.357 11.292 -2.830 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -16.772 10.514 -3.049 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -18.263 9.554 -3.201 1.00 0.00 H new ATOM 239 N LEU A 19 -19.595 10.999 0.057 1.00 0.00 N ATOM 240 CA LEU A 19 -20.928 11.015 0.650 1.00 0.00 C ATOM 241 C LEU A 19 -22.002 11.137 -0.426 1.00 0.00 C ATOM 242 O LEU A 19 -21.854 11.901 -1.381 1.00 0.00 O ATOM 243 CB LEU A 19 -21.052 12.172 1.644 1.00 0.00 C ATOM 244 CG LEU A 19 -22.012 11.952 2.813 1.00 0.00 C ATOM 245 CD1 LEU A 19 -21.395 11.018 3.843 1.00 0.00 C ATOM 246 CD2 LEU A 19 -22.387 13.281 3.452 1.00 0.00 C ATOM 0 H LEU A 19 -19.057 11.853 0.206 1.00 0.00 H new ATOM 0 HA LEU A 19 -21.075 10.073 1.178 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -20.062 12.385 2.048 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -21.372 13.060 1.099 1.00 0.00 H new ATOM 0 HG LEU A 19 -22.920 11.487 2.430 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -22.093 10.874 4.668 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -21.178 10.056 3.378 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -20.471 11.454 4.222 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -23.071 13.105 4.282 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -21.488 13.774 3.821 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -22.872 13.917 2.711 1.00 0.00 H new ATOM 258 N TYR A 20 -23.082 10.381 -0.265 1.00 0.00 N ATOM 259 CA TYR A 20 -24.181 10.405 -1.223 1.00 0.00 C ATOM 260 C TYR A 20 -24.950 11.720 -1.138 1.00 0.00 C ATOM 261 O TYR A 20 -24.801 12.478 -0.179 1.00 0.00 O ATOM 262 CB TYR A 20 -25.129 9.230 -0.972 1.00 0.00 C ATOM 263 CG TYR A 20 -25.823 8.736 -2.221 1.00 0.00 C ATOM 264 CD1 TYR A 20 -25.116 8.533 -3.399 1.00 0.00 C ATOM 265 CD2 TYR A 20 -27.187 8.470 -2.221 1.00 0.00 C ATOM 266 CE1 TYR A 20 -25.747 8.082 -4.543 1.00 0.00 C ATOM 267 CE2 TYR A 20 -27.826 8.017 -3.359 1.00 0.00 C ATOM 268 CZ TYR A 20 -27.102 7.825 -4.518 1.00 0.00 C ATOM 269 OH TYR A 20 -27.734 7.375 -5.654 1.00 0.00 O ATOM 0 H TYR A 20 -23.220 9.744 0.520 1.00 0.00 H new ATOM 0 HA TYR A 20 -23.759 10.316 -2.224 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -24.566 8.408 -0.530 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -25.881 9.530 -0.243 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -24.055 8.731 -3.422 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -27.757 8.620 -1.316 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -25.182 7.932 -5.451 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -28.887 7.814 -3.342 1.00 0.00 H new ATOM 0 HH TYR A 20 -28.687 7.242 -5.467 1.00 0.00 H new ATOM 279 N TRP A 21 -25.771 11.983 -2.148 1.00 0.00 N ATOM 280 CA TRP A 21 -26.564 13.206 -2.189 1.00 0.00 C ATOM 281 C TRP A 21 -28.020 12.922 -1.836 1.00 0.00 C ATOM 282 O TRP A 21 -28.826 13.843 -1.702 1.00 0.00 O ATOM 283 CB TRP A 21 -26.478 13.848 -3.574 1.00 0.00 C ATOM 284 CG TRP A 21 -27.108 13.021 -4.653 1.00 0.00 C ATOM 285 CD1 TRP A 21 -26.494 12.077 -5.426 1.00 0.00 C ATOM 286 CD2 TRP A 21 -28.474 13.064 -5.079 1.00 0.00 C ATOM 287 NE1 TRP A 21 -27.396 11.531 -6.307 1.00 0.00 N ATOM 288 CE2 TRP A 21 -28.618 12.119 -6.114 1.00 0.00 C ATOM 289 CE3 TRP A 21 -29.590 13.808 -4.686 1.00 0.00 C ATOM 290 CZ2 TRP A 21 -29.833 11.902 -6.759 1.00 0.00 C ATOM 291 CZ3 TRP A 21 -30.795 13.591 -5.328 1.00 0.00 C ATOM 292 CH2 TRP A 21 -30.909 12.644 -6.354 1.00 0.00 C ATOM 0 H TRP A 21 -25.905 11.366 -2.949 1.00 0.00 H new ATOM 0 HA TRP A 21 -26.159 13.898 -1.450 1.00 0.00 H new ATOM 0 HB2 TRP A 21 -26.963 14.824 -3.545 1.00 0.00 H new ATOM 0 HB3 TRP A 21 -25.431 14.019 -3.823 1.00 0.00 H new ATOM 0 HD1 TRP A 21 -25.452 11.800 -5.355 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -27.189 10.805 -6.993 1.00 0.00 H new ATOM 0 HE3 TRP A 21 -29.512 14.539 -3.895 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -29.923 11.173 -7.551 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 -31.663 14.161 -5.033 1.00 0.00 H new ATOM 0 HH2 TRP A 21 -31.865 12.497 -6.835 1.00 0.00 H new ATOM 303 N GLU A 22 -28.351 11.643 -1.688 1.00 0.00 N ATOM 304 CA GLU A 22 -29.711 11.241 -1.352 1.00 0.00 C ATOM 305 C GLU A 22 -29.745 10.498 -0.019 1.00 0.00 C ATOM 306 O GLU A 22 -30.815 10.219 0.522 1.00 0.00 O ATOM 307 CB GLU A 22 -30.293 10.356 -2.456 1.00 0.00 C ATOM 308 CG GLU A 22 -30.947 11.139 -3.582 1.00 0.00 C ATOM 309 CD GLU A 22 -31.817 10.269 -4.469 1.00 0.00 C ATOM 310 OE1 GLU A 22 -32.851 9.769 -3.978 1.00 0.00 O ATOM 311 OE2 GLU A 22 -31.464 10.087 -5.653 1.00 0.00 O ATOM 0 H GLU A 22 -27.696 10.868 -1.795 1.00 0.00 H new ATOM 0 HA GLU A 22 -30.317 12.143 -1.262 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -29.498 9.736 -2.870 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -31.029 9.681 -2.019 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -31.553 11.940 -3.158 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -30.174 11.611 -4.188 1.00 0.00 H new ATOM 318 N ASP A 23 -28.566 10.179 0.504 1.00 0.00 N ATOM 319 CA ASP A 23 -28.459 9.469 1.773 1.00 0.00 C ATOM 320 C ASP A 23 -27.529 10.206 2.731 1.00 0.00 C ATOM 321 O ASP A 23 -27.697 10.140 3.948 1.00 0.00 O ATOM 322 CB ASP A 23 -27.951 8.044 1.543 1.00 0.00 C ATOM 323 CG ASP A 23 -28.941 7.194 0.772 1.00 0.00 C ATOM 324 OD1 ASP A 23 -30.157 7.461 0.871 1.00 0.00 O ATOM 325 OD2 ASP A 23 -28.500 6.262 0.068 1.00 0.00 O ATOM 0 H ASP A 23 -27.671 10.401 0.068 1.00 0.00 H new ATOM 0 HA ASP A 23 -29.451 9.424 2.222 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -27.007 8.081 0.999 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -27.746 7.575 2.505 1.00 0.00 H new ATOM 330 N ASN A 24 -26.546 10.906 2.173 1.00 0.00 N ATOM 331 CA ASN A 24 -25.588 11.654 2.978 1.00 0.00 C ATOM 332 C ASN A 24 -24.696 10.710 3.779 1.00 0.00 C ATOM 333 O ASN A 24 -24.220 11.055 4.861 1.00 0.00 O ATOM 334 CB ASN A 24 -26.320 12.607 3.925 1.00 0.00 C ATOM 335 CG ASN A 24 -27.370 13.437 3.212 1.00 0.00 C ATOM 336 OD1 ASN A 24 -27.225 13.762 2.033 1.00 0.00 O ATOM 337 ND2 ASN A 24 -28.435 13.783 3.925 1.00 0.00 N ATOM 0 H ASN A 24 -26.392 10.970 1.167 1.00 0.00 H new ATOM 0 HA ASN A 24 -24.959 12.235 2.303 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -26.794 12.032 4.720 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -25.597 13.270 4.399 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -29.175 14.340 3.499 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -28.513 13.491 4.899 1.00 0.00 H new ATOM 344 N LYS A 25 -24.473 9.516 3.240 1.00 0.00 N ATOM 345 CA LYS A 25 -23.637 8.521 3.901 1.00 0.00 C ATOM 346 C LYS A 25 -22.368 8.255 3.098 1.00 0.00 C ATOM 347 O LYS A 25 -22.364 8.365 1.871 1.00 0.00 O ATOM 348 CB LYS A 25 -24.415 7.217 4.093 1.00 0.00 C ATOM 349 CG LYS A 25 -25.551 7.328 5.094 1.00 0.00 C ATOM 350 CD LYS A 25 -25.834 5.995 5.767 1.00 0.00 C ATOM 351 CE LYS A 25 -24.781 5.665 6.814 1.00 0.00 C ATOM 352 NZ LYS A 25 -24.971 4.301 7.380 1.00 0.00 N ATOM 0 H LYS A 25 -24.860 9.214 2.346 1.00 0.00 H new ATOM 0 HA LYS A 25 -23.352 8.914 4.877 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -24.819 6.900 3.132 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -23.727 6.438 4.422 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -25.300 8.072 5.850 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -26.450 7.679 4.588 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -26.818 6.024 6.235 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -25.862 5.206 5.016 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -23.789 5.738 6.367 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -24.824 6.401 7.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -24.234 4.114 8.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -25.907 4.239 7.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -24.905 3.597 6.618 1.00 0.00 H new ATOM 366 N PHE A 26 -21.294 7.904 3.796 1.00 0.00 N ATOM 367 CA PHE A 26 -20.019 7.622 3.147 1.00 0.00 C ATOM 368 C PHE A 26 -20.070 6.290 2.404 1.00 0.00 C ATOM 369 O PHE A 26 -20.369 5.250 2.991 1.00 0.00 O ATOM 370 CB PHE A 26 -18.890 7.600 4.180 1.00 0.00 C ATOM 371 CG PHE A 26 -18.514 8.962 4.687 1.00 0.00 C ATOM 372 CD1 PHE A 26 -17.838 9.857 3.872 1.00 0.00 C ATOM 373 CD2 PHE A 26 -18.837 9.350 5.977 1.00 0.00 C ATOM 374 CE1 PHE A 26 -17.490 11.111 4.336 1.00 0.00 C ATOM 375 CE2 PHE A 26 -18.492 10.603 6.447 1.00 0.00 C ATOM 376 CZ PHE A 26 -17.819 11.485 5.625 1.00 0.00 C ATOM 0 H PHE A 26 -21.281 7.808 4.811 1.00 0.00 H new ATOM 0 HA PHE A 26 -19.825 8.414 2.424 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -19.192 6.978 5.023 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -18.012 7.131 3.736 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -17.581 9.571 2.863 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -19.365 8.665 6.624 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -16.961 11.798 3.692 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -18.748 10.892 7.456 1.00 0.00 H new ATOM 0 HZ PHE A 26 -17.550 12.466 5.989 1.00 0.00 H new ATOM 386 N TYR A 27 -19.776 6.331 1.109 1.00 0.00 N ATOM 387 CA TYR A 27 -19.791 5.128 0.284 1.00 0.00 C ATOM 388 C TYR A 27 -18.547 5.056 -0.597 1.00 0.00 C ATOM 389 O TYR A 27 -18.074 6.072 -1.106 1.00 0.00 O ATOM 390 CB TYR A 27 -21.048 5.098 -0.587 1.00 0.00 C ATOM 391 CG TYR A 27 -22.335 5.072 0.208 1.00 0.00 C ATOM 392 CD1 TYR A 27 -22.531 4.140 1.219 1.00 0.00 C ATOM 393 CD2 TYR A 27 -23.353 5.981 -0.052 1.00 0.00 C ATOM 394 CE1 TYR A 27 -23.705 4.112 1.947 1.00 0.00 C ATOM 395 CE2 TYR A 27 -24.530 5.962 0.672 1.00 0.00 C ATOM 396 CZ TYR A 27 -24.701 5.025 1.670 1.00 0.00 C ATOM 397 OH TYR A 27 -25.871 5.002 2.393 1.00 0.00 O ATOM 0 H TYR A 27 -19.525 7.183 0.608 1.00 0.00 H new ATOM 0 HA TYR A 27 -19.795 4.263 0.947 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -21.050 5.973 -1.238 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -21.012 4.221 -1.233 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -21.752 3.425 1.440 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -23.222 6.715 -0.833 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -23.842 3.379 2.729 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -25.311 6.676 0.458 1.00 0.00 H new ATOM 0 HH TYR A 27 -26.467 5.711 2.073 1.00 0.00 H new ATOM 407 N ARG A 28 -18.023 3.848 -0.771 1.00 0.00 N ATOM 408 CA ARG A 28 -16.834 3.641 -1.589 1.00 0.00 C ATOM 409 C ARG A 28 -16.987 4.315 -2.950 1.00 0.00 C ATOM 410 O ARG A 28 -18.091 4.418 -3.482 1.00 0.00 O ATOM 411 CB ARG A 28 -16.571 2.146 -1.776 1.00 0.00 C ATOM 412 CG ARG A 28 -15.109 1.812 -2.026 1.00 0.00 C ATOM 413 CD ARG A 28 -14.301 1.852 -0.739 1.00 0.00 C ATOM 414 NE ARG A 28 -13.009 1.186 -0.883 1.00 0.00 N ATOM 415 CZ ARG A 28 -12.865 -0.132 -0.951 1.00 0.00 C ATOM 416 NH1 ARG A 28 -13.928 -0.923 -0.888 1.00 0.00 N ATOM 417 NH2 ARG A 28 -11.656 -0.663 -1.082 1.00 0.00 N ATOM 0 H ARG A 28 -18.403 2.997 -0.356 1.00 0.00 H new ATOM 0 HA ARG A 28 -15.986 4.090 -1.073 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -16.910 1.612 -0.888 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -17.166 1.783 -2.614 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -15.032 0.821 -2.474 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -14.690 2.519 -2.742 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -14.143 2.889 -0.442 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -14.868 1.374 0.060 1.00 0.00 H new ATOM 0 HE ARG A 28 -12.171 1.766 -0.934 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -14.859 -0.519 -0.787 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -13.814 -1.935 -0.941 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -10.836 -0.058 -1.131 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -11.547 -1.676 -1.134 1.00 0.00 H new ATOM 431 N ALA A 29 -15.870 4.774 -3.506 1.00 0.00 N ATOM 432 CA ALA A 29 -15.879 5.436 -4.804 1.00 0.00 C ATOM 433 C ALA A 29 -14.464 5.597 -5.349 1.00 0.00 C ATOM 434 O ALA A 29 -13.500 5.125 -4.746 1.00 0.00 O ATOM 435 CB ALA A 29 -16.564 6.791 -4.700 1.00 0.00 C ATOM 0 H ALA A 29 -14.948 4.699 -3.077 1.00 0.00 H new ATOM 0 HA ALA A 29 -16.438 4.810 -5.499 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -16.564 7.275 -5.677 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -17.592 6.654 -4.363 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -16.028 7.416 -3.986 1.00 0.00 H new ATOM 441 N GLU A 30 -14.347 6.265 -6.492 1.00 0.00 N ATOM 442 CA GLU A 30 -13.048 6.485 -7.117 1.00 0.00 C ATOM 443 C GLU A 30 -13.009 7.835 -7.829 1.00 0.00 C ATOM 444 O GLU A 30 -13.742 8.064 -8.791 1.00 0.00 O ATOM 445 CB GLU A 30 -12.739 5.364 -8.111 1.00 0.00 C ATOM 446 CG GLU A 30 -11.336 5.433 -8.690 1.00 0.00 C ATOM 447 CD GLU A 30 -10.929 4.152 -9.391 1.00 0.00 C ATOM 448 OE1 GLU A 30 -10.909 3.094 -8.727 1.00 0.00 O ATOM 449 OE2 GLU A 30 -10.632 4.206 -10.603 1.00 0.00 O ATOM 0 H GLU A 30 -15.135 6.663 -7.004 1.00 0.00 H new ATOM 0 HA GLU A 30 -12.291 6.484 -6.333 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -12.871 4.403 -7.614 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -13.462 5.403 -8.926 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -11.279 6.262 -9.395 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -10.627 5.646 -7.890 1.00 0.00 H new ATOM 456 N VAL A 31 -12.149 8.726 -7.347 1.00 0.00 N ATOM 457 CA VAL A 31 -12.013 10.053 -7.936 1.00 0.00 C ATOM 458 C VAL A 31 -11.909 9.972 -9.455 1.00 0.00 C ATOM 459 O VAL A 31 -10.878 9.576 -9.996 1.00 0.00 O ATOM 460 CB VAL A 31 -10.775 10.787 -7.387 1.00 0.00 C ATOM 461 CG1 VAL A 31 -10.584 12.118 -8.097 1.00 0.00 C ATOM 462 CG2 VAL A 31 -10.898 10.988 -5.884 1.00 0.00 C ATOM 0 H VAL A 31 -11.536 8.553 -6.550 1.00 0.00 H new ATOM 0 HA VAL A 31 -12.908 10.613 -7.665 1.00 0.00 H new ATOM 0 HB VAL A 31 -9.896 10.172 -7.578 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -9.705 12.622 -7.695 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -10.447 11.945 -9.164 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -11.463 12.743 -7.941 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -10.015 11.508 -5.513 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -11.786 11.582 -5.668 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -10.981 10.018 -5.393 1.00 0.00 H new ATOM 472 N GLU A 32 -12.986 10.351 -10.136 1.00 0.00 N ATOM 473 CA GLU A 32 -13.016 10.321 -11.594 1.00 0.00 C ATOM 474 C GLU A 32 -12.245 11.501 -12.179 1.00 0.00 C ATOM 475 O GLU A 32 -11.331 11.322 -12.983 1.00 0.00 O ATOM 476 CB GLU A 32 -14.461 10.342 -12.097 1.00 0.00 C ATOM 477 CG GLU A 32 -14.631 9.745 -13.484 1.00 0.00 C ATOM 478 CD GLU A 32 -14.189 10.690 -14.584 1.00 0.00 C ATOM 479 OE1 GLU A 32 -15.022 11.497 -15.045 1.00 0.00 O ATOM 480 OE2 GLU A 32 -13.007 10.621 -14.985 1.00 0.00 O ATOM 0 H GLU A 32 -13.848 10.682 -9.702 1.00 0.00 H new ATOM 0 HA GLU A 32 -12.538 9.398 -11.923 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -15.089 9.794 -11.395 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -14.818 11.372 -12.107 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -14.056 8.821 -13.551 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -15.678 9.481 -13.636 1.00 0.00 H new ATOM 487 N ALA A 33 -12.622 12.708 -11.769 1.00 0.00 N ATOM 488 CA ALA A 33 -11.967 13.918 -12.250 1.00 0.00 C ATOM 489 C ALA A 33 -12.138 15.065 -11.260 1.00 0.00 C ATOM 490 O ALA A 33 -13.213 15.251 -10.688 1.00 0.00 O ATOM 491 CB ALA A 33 -12.515 14.308 -13.614 1.00 0.00 C ATOM 0 H ALA A 33 -13.378 12.874 -11.105 1.00 0.00 H new ATOM 0 HA ALA A 33 -10.901 13.712 -12.345 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -12.017 15.213 -13.961 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -12.335 13.500 -14.323 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -13.587 14.491 -13.537 1.00 0.00 H new ATOM 497 N LEU A 34 -11.072 15.833 -11.062 1.00 0.00 N ATOM 498 CA LEU A 34 -11.104 16.963 -10.140 1.00 0.00 C ATOM 499 C LEU A 34 -11.540 18.238 -10.856 1.00 0.00 C ATOM 500 O LEU A 34 -11.482 18.323 -12.083 1.00 0.00 O ATOM 501 CB LEU A 34 -9.728 17.168 -9.504 1.00 0.00 C ATOM 502 CG LEU A 34 -9.126 15.950 -8.801 1.00 0.00 C ATOM 503 CD1 LEU A 34 -7.609 16.050 -8.766 1.00 0.00 C ATOM 504 CD2 LEU A 34 -9.686 15.817 -7.392 1.00 0.00 C ATOM 0 H LEU A 34 -10.175 15.694 -11.527 1.00 0.00 H new ATOM 0 HA LEU A 34 -11.830 16.740 -9.358 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -9.036 17.494 -10.280 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -9.801 17.981 -8.781 1.00 0.00 H new ATOM 0 HG LEU A 34 -9.398 15.058 -9.365 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -7.198 15.175 -8.262 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -7.224 16.096 -9.785 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -7.316 16.950 -8.226 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -9.247 14.945 -6.907 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -9.444 16.712 -6.818 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -10.768 15.698 -7.440 1.00 0.00 H new ATOM 516 N HIS A 35 -11.974 19.227 -10.081 1.00 0.00 N ATOM 517 CA HIS A 35 -12.417 20.498 -10.642 1.00 0.00 C ATOM 518 C HIS A 35 -11.293 21.529 -10.607 1.00 0.00 C ATOM 519 O HIS A 35 -10.594 21.665 -9.603 1.00 0.00 O ATOM 520 CB HIS A 35 -13.630 21.024 -9.873 1.00 0.00 C ATOM 521 CG HIS A 35 -14.242 22.247 -10.483 1.00 0.00 C ATOM 522 ND1 HIS A 35 -14.572 23.368 -9.751 1.00 0.00 N ATOM 523 CD2 HIS A 35 -14.582 22.522 -11.764 1.00 0.00 C ATOM 524 CE1 HIS A 35 -15.090 24.279 -10.555 1.00 0.00 C ATOM 525 NE2 HIS A 35 -15.107 23.791 -11.782 1.00 0.00 N ATOM 0 H HIS A 35 -12.028 19.173 -9.064 1.00 0.00 H new ATOM 0 HA HIS A 35 -12.699 20.329 -11.681 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -14.384 20.239 -9.819 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -13.331 21.249 -8.849 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -14.463 21.866 -12.614 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -15.440 25.257 -10.259 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -15.454 24.277 -12.609 1.00 0.00 H new ATOM 534 N SER A 36 -11.124 22.251 -11.709 1.00 0.00 N ATOM 535 CA SER A 36 -10.081 23.266 -11.806 1.00 0.00 C ATOM 536 C SER A 36 -10.071 24.155 -10.566 1.00 0.00 C ATOM 537 O SER A 36 -9.085 24.204 -9.832 1.00 0.00 O ATOM 538 CB SER A 36 -10.286 24.121 -13.058 1.00 0.00 C ATOM 539 OG SER A 36 -9.243 25.069 -13.206 1.00 0.00 O ATOM 0 H SER A 36 -11.696 22.152 -12.548 1.00 0.00 H new ATOM 0 HA SER A 36 -9.119 22.757 -11.875 1.00 0.00 H new ATOM 0 HB2 SER A 36 -10.325 23.479 -13.938 1.00 0.00 H new ATOM 0 HB3 SER A 36 -11.244 24.637 -12.997 1.00 0.00 H new ATOM 0 HG SER A 36 -9.397 25.601 -14.014 1.00 0.00 H new ATOM 545 N SER A 37 -11.177 24.857 -10.340 1.00 0.00 N ATOM 546 CA SER A 37 -11.296 25.747 -9.191 1.00 0.00 C ATOM 547 C SER A 37 -10.722 25.096 -7.937 1.00 0.00 C ATOM 548 O SER A 37 -9.912 25.692 -7.229 1.00 0.00 O ATOM 549 CB SER A 37 -12.761 26.123 -8.960 1.00 0.00 C ATOM 550 OG SER A 37 -13.157 27.182 -9.814 1.00 0.00 O ATOM 0 H SER A 37 -12.003 24.827 -10.937 1.00 0.00 H new ATOM 0 HA SER A 37 -10.725 26.651 -9.403 1.00 0.00 H new ATOM 0 HB2 SER A 37 -13.395 25.254 -9.136 1.00 0.00 H new ATOM 0 HB3 SER A 37 -12.905 26.417 -7.920 1.00 0.00 H new ATOM 0 HG SER A 37 -14.097 27.402 -9.648 1.00 0.00 H new ATOM 556 N GLY A 38 -11.149 23.865 -7.668 1.00 0.00 N ATOM 557 CA GLY A 38 -10.668 23.152 -6.500 1.00 0.00 C ATOM 558 C GLY A 38 -11.694 23.106 -5.385 1.00 0.00 C ATOM 559 O GLY A 38 -11.374 23.369 -4.227 1.00 0.00 O ATOM 0 H GLY A 38 -11.819 23.350 -8.239 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -10.399 22.135 -6.784 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.760 23.631 -6.134 1.00 0.00 H new ATOM 563 N MET A 39 -12.932 22.773 -5.736 1.00 0.00 N ATOM 564 CA MET A 39 -14.009 22.694 -4.756 1.00 0.00 C ATOM 565 C MET A 39 -14.684 21.327 -4.799 1.00 0.00 C ATOM 566 O MET A 39 -14.693 20.595 -3.809 1.00 0.00 O ATOM 567 CB MET A 39 -15.041 23.794 -5.011 1.00 0.00 C ATOM 568 CG MET A 39 -14.579 25.174 -4.572 1.00 0.00 C ATOM 569 SD MET A 39 -14.581 25.369 -2.780 1.00 0.00 S ATOM 570 CE MET A 39 -13.244 26.542 -2.565 1.00 0.00 C ATOM 0 H MET A 39 -13.214 22.554 -6.691 1.00 0.00 H new ATOM 0 HA MET A 39 -13.576 22.835 -3.765 1.00 0.00 H new ATOM 0 HB2 MET A 39 -15.277 23.820 -6.075 1.00 0.00 H new ATOM 0 HB3 MET A 39 -15.963 23.544 -4.486 1.00 0.00 H new ATOM 0 HG2 MET A 39 -13.573 25.354 -4.952 1.00 0.00 H new ATOM 0 HG3 MET A 39 -15.228 25.929 -5.016 1.00 0.00 H new ATOM 0 HE1 MET A 39 -13.121 26.764 -1.505 1.00 0.00 H new ATOM 0 HE2 MET A 39 -12.320 26.116 -2.956 1.00 0.00 H new ATOM 0 HE3 MET A 39 -13.476 27.461 -3.103 1.00 0.00 H new ATOM 580 N THR A 40 -15.251 20.988 -5.953 1.00 0.00 N ATOM 581 CA THR A 40 -15.930 19.710 -6.125 1.00 0.00 C ATOM 582 C THR A 40 -15.171 18.809 -7.092 1.00 0.00 C ATOM 583 O THR A 40 -14.254 19.256 -7.781 1.00 0.00 O ATOM 584 CB THR A 40 -17.368 19.903 -6.641 1.00 0.00 C ATOM 585 OG1 THR A 40 -17.354 20.650 -7.863 1.00 0.00 O ATOM 586 CG2 THR A 40 -18.222 20.625 -5.610 1.00 0.00 C ATOM 0 H THR A 40 -15.253 21.581 -6.783 1.00 0.00 H new ATOM 0 HA THR A 40 -15.965 19.236 -5.144 1.00 0.00 H new ATOM 0 HB THR A 40 -17.800 18.919 -6.822 1.00 0.00 H new ATOM 0 HG1 THR A 40 -18.272 20.767 -8.185 1.00 0.00 H new ATOM 0 HG21 THR A 40 -19.233 20.749 -5.998 1.00 0.00 H new ATOM 0 HG22 THR A 40 -18.255 20.040 -4.691 1.00 0.00 H new ATOM 0 HG23 THR A 40 -17.790 21.604 -5.401 1.00 0.00 H new ATOM 594 N ALA A 41 -15.560 17.539 -7.140 1.00 0.00 N ATOM 595 CA ALA A 41 -14.918 16.577 -8.026 1.00 0.00 C ATOM 596 C ALA A 41 -15.866 15.436 -8.378 1.00 0.00 C ATOM 597 O ALA A 41 -16.660 14.996 -7.546 1.00 0.00 O ATOM 598 CB ALA A 41 -13.650 16.033 -7.385 1.00 0.00 C ATOM 0 H ALA A 41 -16.317 17.153 -6.575 1.00 0.00 H new ATOM 0 HA ALA A 41 -14.653 17.092 -8.949 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -13.181 15.315 -8.058 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -12.959 16.854 -7.191 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -13.900 15.540 -6.446 1.00 0.00 H new ATOM 604 N VAL A 42 -15.780 14.960 -9.616 1.00 0.00 N ATOM 605 CA VAL A 42 -16.630 13.869 -10.077 1.00 0.00 C ATOM 606 C VAL A 42 -16.124 12.524 -9.568 1.00 0.00 C ATOM 607 O VAL A 42 -15.032 12.083 -9.929 1.00 0.00 O ATOM 608 CB VAL A 42 -16.706 13.829 -11.615 1.00 0.00 C ATOM 609 CG1 VAL A 42 -17.642 12.721 -12.075 1.00 0.00 C ATOM 610 CG2 VAL A 42 -17.152 15.176 -12.162 1.00 0.00 C ATOM 0 H VAL A 42 -15.130 15.313 -10.318 1.00 0.00 H new ATOM 0 HA VAL A 42 -17.627 14.053 -9.676 1.00 0.00 H new ATOM 0 HB VAL A 42 -15.711 13.616 -12.005 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -17.683 12.708 -13.164 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -17.274 11.761 -11.714 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -18.641 12.900 -11.676 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -17.200 15.129 -13.250 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -18.137 15.422 -11.766 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -16.439 15.944 -11.863 1.00 0.00 H new ATOM 620 N VAL A 43 -16.924 11.876 -8.729 1.00 0.00 N ATOM 621 CA VAL A 43 -16.559 10.579 -8.171 1.00 0.00 C ATOM 622 C VAL A 43 -17.522 9.491 -8.631 1.00 0.00 C ATOM 623 O VAL A 43 -18.719 9.733 -8.790 1.00 0.00 O ATOM 624 CB VAL A 43 -16.540 10.616 -6.631 1.00 0.00 C ATOM 625 CG1 VAL A 43 -15.382 11.465 -6.131 1.00 0.00 C ATOM 626 CG2 VAL A 43 -17.865 11.138 -6.095 1.00 0.00 C ATOM 0 H VAL A 43 -17.830 12.228 -8.420 1.00 0.00 H new ATOM 0 HA VAL A 43 -15.557 10.349 -8.534 1.00 0.00 H new ATOM 0 HB VAL A 43 -16.399 9.600 -6.262 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -15.385 11.479 -5.041 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -14.442 11.043 -6.486 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -15.488 12.482 -6.507 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -17.834 11.158 -5.006 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -18.038 12.146 -6.471 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -18.673 10.485 -6.424 1.00 0.00 H new ATOM 636 N LYS A 44 -16.993 8.291 -8.844 1.00 0.00 N ATOM 637 CA LYS A 44 -17.805 7.163 -9.284 1.00 0.00 C ATOM 638 C LYS A 44 -18.017 6.169 -8.148 1.00 0.00 C ATOM 639 O LYS A 44 -17.059 5.701 -7.532 1.00 0.00 O ATOM 640 CB LYS A 44 -17.141 6.463 -10.472 1.00 0.00 C ATOM 641 CG LYS A 44 -18.127 5.788 -11.409 1.00 0.00 C ATOM 642 CD LYS A 44 -17.422 5.147 -12.593 1.00 0.00 C ATOM 643 CE LYS A 44 -16.814 3.804 -12.218 1.00 0.00 C ATOM 644 NZ LYS A 44 -15.437 3.951 -11.670 1.00 0.00 N ATOM 0 H LYS A 44 -16.004 8.075 -8.719 1.00 0.00 H new ATOM 0 HA LYS A 44 -18.777 7.546 -9.593 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -16.560 7.193 -11.035 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -16.440 5.717 -10.098 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -18.687 5.029 -10.863 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -18.850 6.521 -11.768 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -18.130 5.012 -13.410 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -16.640 5.813 -12.957 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -17.448 3.312 -11.480 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -16.788 3.159 -13.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -14.778 3.371 -12.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -15.148 4.949 -11.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -15.422 3.636 -10.679 1.00 0.00 H new ATOM 658 N PHE A 45 -19.278 5.848 -7.875 1.00 0.00 N ATOM 659 CA PHE A 45 -19.615 4.908 -6.813 1.00 0.00 C ATOM 660 C PHE A 45 -19.482 3.467 -7.299 1.00 0.00 C ATOM 661 O PHE A 45 -20.106 3.072 -8.285 1.00 0.00 O ATOM 662 CB PHE A 45 -21.038 5.160 -6.312 1.00 0.00 C ATOM 663 CG PHE A 45 -21.155 6.359 -5.415 1.00 0.00 C ATOM 664 CD1 PHE A 45 -20.597 6.347 -4.146 1.00 0.00 C ATOM 665 CD2 PHE A 45 -21.822 7.497 -5.839 1.00 0.00 C ATOM 666 CE1 PHE A 45 -20.702 7.449 -3.318 1.00 0.00 C ATOM 667 CE2 PHE A 45 -21.929 8.601 -5.015 1.00 0.00 C ATOM 668 CZ PHE A 45 -21.370 8.577 -3.753 1.00 0.00 C ATOM 0 H PHE A 45 -20.083 6.225 -8.375 1.00 0.00 H new ATOM 0 HA PHE A 45 -18.916 5.062 -5.991 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -21.698 5.292 -7.169 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -21.386 4.278 -5.774 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -20.075 5.467 -3.801 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -22.263 7.521 -6.824 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -20.262 7.428 -2.332 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -22.450 9.483 -5.358 1.00 0.00 H new ATOM 0 HZ PHE A 45 -21.455 9.438 -3.107 1.00 0.00 H new ATOM 678 N THR A 46 -18.665 2.686 -6.600 1.00 0.00 N ATOM 679 CA THR A 46 -18.449 1.290 -6.960 1.00 0.00 C ATOM 680 C THR A 46 -19.736 0.484 -6.834 1.00 0.00 C ATOM 681 O THR A 46 -19.964 -0.462 -7.589 1.00 0.00 O ATOM 682 CB THR A 46 -17.363 0.644 -6.078 1.00 0.00 C ATOM 683 OG1 THR A 46 -16.774 -0.467 -6.762 1.00 0.00 O ATOM 684 CG2 THR A 46 -17.949 0.179 -4.753 1.00 0.00 C ATOM 0 H THR A 46 -18.142 2.996 -5.781 1.00 0.00 H new ATOM 0 HA THR A 46 -18.117 1.279 -7.998 1.00 0.00 H new ATOM 0 HB THR A 46 -16.597 1.392 -5.875 1.00 0.00 H new ATOM 0 HG1 THR A 46 -16.084 -0.871 -6.196 1.00 0.00 H new ATOM 0 HG21 THR A 46 -17.164 -0.274 -4.147 1.00 0.00 H new ATOM 0 HG22 THR A 46 -18.371 1.033 -4.222 1.00 0.00 H new ATOM 0 HG23 THR A 46 -18.733 -0.555 -4.939 1.00 0.00 H new ATOM 692 N ASP A 47 -20.575 0.863 -5.876 1.00 0.00 N ATOM 693 CA ASP A 47 -21.842 0.176 -5.653 1.00 0.00 C ATOM 694 C ASP A 47 -22.492 -0.210 -6.978 1.00 0.00 C ATOM 695 O ASP A 47 -22.811 -1.376 -7.208 1.00 0.00 O ATOM 696 CB ASP A 47 -22.790 1.061 -4.843 1.00 0.00 C ATOM 697 CG ASP A 47 -22.237 1.402 -3.473 1.00 0.00 C ATOM 698 OD1 ASP A 47 -21.155 2.022 -3.409 1.00 0.00 O ATOM 699 OD2 ASP A 47 -22.885 1.048 -2.466 1.00 0.00 O ATOM 0 H ASP A 47 -20.401 1.642 -5.241 1.00 0.00 H new ATOM 0 HA ASP A 47 -21.639 -0.735 -5.091 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -22.982 1.982 -5.394 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -23.748 0.553 -4.729 1.00 0.00 H new ATOM 704 N TYR A 48 -22.686 0.778 -7.845 1.00 0.00 N ATOM 705 CA TYR A 48 -23.302 0.543 -9.145 1.00 0.00 C ATOM 706 C TYR A 48 -22.403 1.042 -10.272 1.00 0.00 C ATOM 707 O TYR A 48 -22.258 0.387 -11.303 1.00 0.00 O ATOM 708 CB TYR A 48 -24.664 1.235 -9.220 1.00 0.00 C ATOM 709 CG TYR A 48 -25.526 1.009 -7.999 1.00 0.00 C ATOM 710 CD1 TYR A 48 -25.414 1.831 -6.884 1.00 0.00 C ATOM 711 CD2 TYR A 48 -26.453 -0.025 -7.960 1.00 0.00 C ATOM 712 CE1 TYR A 48 -26.199 1.628 -5.765 1.00 0.00 C ATOM 713 CE2 TYR A 48 -27.243 -0.235 -6.846 1.00 0.00 C ATOM 714 CZ TYR A 48 -27.112 0.594 -5.751 1.00 0.00 C ATOM 715 OH TYR A 48 -27.897 0.389 -4.640 1.00 0.00 O ATOM 0 H TYR A 48 -22.426 1.749 -7.671 1.00 0.00 H new ATOM 0 HA TYR A 48 -23.441 -0.532 -9.264 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -24.511 2.306 -9.353 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -25.196 0.877 -10.101 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -24.701 2.642 -6.892 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -26.558 -0.676 -8.815 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -26.098 2.275 -4.906 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -27.959 -1.043 -6.833 1.00 0.00 H new ATOM 0 HH TYR A 48 -28.487 -0.378 -4.793 1.00 0.00 H new ATOM 725 N GLY A 49 -21.799 2.209 -10.066 1.00 0.00 N ATOM 726 CA GLY A 49 -20.921 2.778 -11.072 1.00 0.00 C ATOM 727 C GLY A 49 -21.470 4.061 -11.662 1.00 0.00 C ATOM 728 O GLY A 49 -21.339 4.307 -12.861 1.00 0.00 O ATOM 0 H GLY A 49 -21.902 2.770 -9.221 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -19.945 2.974 -10.629 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -20.768 2.051 -11.870 1.00 0.00 H new ATOM 732 N ASN A 50 -22.089 4.881 -10.820 1.00 0.00 N ATOM 733 CA ASN A 50 -22.663 6.146 -11.266 1.00 0.00 C ATOM 734 C ASN A 50 -21.861 7.327 -10.729 1.00 0.00 C ATOM 735 O ASN A 50 -21.374 7.297 -9.598 1.00 0.00 O ATOM 736 CB ASN A 50 -24.121 6.256 -10.814 1.00 0.00 C ATOM 737 CG ASN A 50 -24.330 5.736 -9.405 1.00 0.00 C ATOM 738 OD1 ASN A 50 -24.633 4.560 -9.204 1.00 0.00 O ATOM 739 ND2 ASN A 50 -24.169 6.613 -8.421 1.00 0.00 N ATOM 0 H ASN A 50 -22.206 4.693 -9.824 1.00 0.00 H new ATOM 0 HA ASN A 50 -22.625 6.170 -12.355 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -24.437 7.298 -10.864 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -24.755 5.697 -11.502 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -24.297 6.321 -7.452 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -23.918 7.578 -8.634 1.00 0.00 H new ATOM 746 N TYR A 51 -21.729 8.366 -11.546 1.00 0.00 N ATOM 747 CA TYR A 51 -20.985 9.557 -11.154 1.00 0.00 C ATOM 748 C TYR A 51 -21.860 10.502 -10.337 1.00 0.00 C ATOM 749 O TYR A 51 -23.043 10.677 -10.629 1.00 0.00 O ATOM 750 CB TYR A 51 -20.450 10.280 -12.391 1.00 0.00 C ATOM 751 CG TYR A 51 -19.654 9.388 -13.317 1.00 0.00 C ATOM 752 CD1 TYR A 51 -18.400 8.916 -12.951 1.00 0.00 C ATOM 753 CD2 TYR A 51 -20.157 9.018 -14.559 1.00 0.00 C ATOM 754 CE1 TYR A 51 -17.670 8.102 -13.795 1.00 0.00 C ATOM 755 CE2 TYR A 51 -19.434 8.203 -15.408 1.00 0.00 C ATOM 756 CZ TYR A 51 -18.191 7.748 -15.022 1.00 0.00 C ATOM 757 OH TYR A 51 -17.466 6.936 -15.864 1.00 0.00 O ATOM 0 H TYR A 51 -22.128 8.408 -12.484 1.00 0.00 H new ATOM 0 HA TYR A 51 -20.145 9.242 -10.534 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -21.288 10.707 -12.943 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -19.822 11.111 -12.072 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -17.989 9.190 -11.991 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -21.130 9.374 -14.865 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -16.696 7.744 -13.496 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -19.840 7.924 -16.369 1.00 0.00 H new ATOM 0 HH TYR A 51 -17.975 6.781 -16.687 1.00 0.00 H new ATOM 767 N GLU A 52 -21.269 11.108 -9.312 1.00 0.00 N ATOM 768 CA GLU A 52 -21.995 12.036 -8.452 1.00 0.00 C ATOM 769 C GLU A 52 -21.102 13.199 -8.030 1.00 0.00 C ATOM 770 O GLU A 52 -19.978 12.997 -7.573 1.00 0.00 O ATOM 771 CB GLU A 52 -22.525 11.310 -7.214 1.00 0.00 C ATOM 772 CG GLU A 52 -23.857 10.615 -7.439 1.00 0.00 C ATOM 773 CD GLU A 52 -24.907 11.541 -8.023 1.00 0.00 C ATOM 774 OE1 GLU A 52 -24.805 12.766 -7.802 1.00 0.00 O ATOM 775 OE2 GLU A 52 -25.829 11.042 -8.701 1.00 0.00 O ATOM 0 H GLU A 52 -20.291 10.973 -9.057 1.00 0.00 H new ATOM 0 HA GLU A 52 -22.837 12.434 -9.019 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -21.790 10.572 -6.893 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -22.632 12.028 -6.401 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -23.712 9.768 -8.109 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -24.218 10.214 -6.492 1.00 0.00 H new ATOM 782 N GLU A 53 -21.612 14.417 -8.188 1.00 0.00 N ATOM 783 CA GLU A 53 -20.860 15.612 -7.825 1.00 0.00 C ATOM 784 C GLU A 53 -20.801 15.778 -6.309 1.00 0.00 C ATOM 785 O GLU A 53 -21.802 16.100 -5.669 1.00 0.00 O ATOM 786 CB GLU A 53 -21.493 16.852 -8.460 1.00 0.00 C ATOM 787 CG GLU A 53 -20.705 18.129 -8.219 1.00 0.00 C ATOM 788 CD GLU A 53 -21.346 19.341 -8.866 1.00 0.00 C ATOM 789 OE1 GLU A 53 -22.592 19.415 -8.886 1.00 0.00 O ATOM 790 OE2 GLU A 53 -20.600 20.216 -9.354 1.00 0.00 O ATOM 0 H GLU A 53 -22.542 14.601 -8.565 1.00 0.00 H new ATOM 0 HA GLU A 53 -19.843 15.499 -8.201 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -21.589 16.691 -9.534 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -22.501 16.977 -8.065 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -20.616 18.299 -7.146 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -19.694 18.006 -8.608 1.00 0.00 H new ATOM 797 N VAL A 54 -19.620 15.554 -5.741 1.00 0.00 N ATOM 798 CA VAL A 54 -19.429 15.678 -4.301 1.00 0.00 C ATOM 799 C VAL A 54 -18.227 16.560 -3.981 1.00 0.00 C ATOM 800 O VAL A 54 -17.228 16.554 -4.702 1.00 0.00 O ATOM 801 CB VAL A 54 -19.232 14.301 -3.640 1.00 0.00 C ATOM 802 CG1 VAL A 54 -19.584 14.364 -2.161 1.00 0.00 C ATOM 803 CG2 VAL A 54 -20.065 13.245 -4.351 1.00 0.00 C ATOM 0 H VAL A 54 -18.782 15.286 -6.256 1.00 0.00 H new ATOM 0 HA VAL A 54 -20.332 16.139 -3.900 1.00 0.00 H new ATOM 0 HB VAL A 54 -18.182 14.021 -3.727 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -19.439 13.382 -1.710 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -18.940 15.090 -1.664 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -20.625 14.665 -2.047 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -19.914 12.278 -3.871 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -21.119 13.516 -4.297 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -19.760 13.183 -5.395 1.00 0.00 H new ATOM 813 N LEU A 55 -18.330 17.319 -2.895 1.00 0.00 N ATOM 814 CA LEU A 55 -17.251 18.207 -2.477 1.00 0.00 C ATOM 815 C LEU A 55 -16.038 17.409 -2.008 1.00 0.00 C ATOM 816 O LEU A 55 -16.179 16.340 -1.411 1.00 0.00 O ATOM 817 CB LEU A 55 -17.730 19.133 -1.358 1.00 0.00 C ATOM 818 CG LEU A 55 -18.340 20.463 -1.802 1.00 0.00 C ATOM 819 CD1 LEU A 55 -19.369 20.942 -0.790 1.00 0.00 C ATOM 820 CD2 LEU A 55 -17.253 21.510 -1.998 1.00 0.00 C ATOM 0 H LEU A 55 -19.150 17.337 -2.288 1.00 0.00 H new ATOM 0 HA LEU A 55 -16.956 18.808 -3.337 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -18.470 18.598 -0.763 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -16.885 19.345 -0.702 1.00 0.00 H new ATOM 0 HG LEU A 55 -18.844 20.309 -2.756 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -19.793 21.890 -1.122 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -20.163 20.201 -0.700 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -18.890 21.079 0.179 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -17.706 22.450 -2.314 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -16.720 21.661 -1.059 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -16.553 21.170 -2.761 1.00 0.00 H new ATOM 832 N LEU A 56 -14.849 17.934 -2.280 1.00 0.00 N ATOM 833 CA LEU A 56 -13.611 17.271 -1.884 1.00 0.00 C ATOM 834 C LEU A 56 -13.510 17.170 -0.366 1.00 0.00 C ATOM 835 O LEU A 56 -12.857 16.271 0.164 1.00 0.00 O ATOM 836 CB LEU A 56 -12.404 18.030 -2.438 1.00 0.00 C ATOM 837 CG LEU A 56 -12.312 18.126 -3.961 1.00 0.00 C ATOM 838 CD1 LEU A 56 -11.255 19.140 -4.370 1.00 0.00 C ATOM 839 CD2 LEU A 56 -12.006 16.762 -4.564 1.00 0.00 C ATOM 0 H LEU A 56 -14.715 18.817 -2.773 1.00 0.00 H new ATOM 0 HA LEU A 56 -13.619 16.262 -2.297 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -12.418 19.041 -2.031 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -11.498 17.550 -2.069 1.00 0.00 H new ATOM 0 HG LEU A 56 -13.276 18.463 -4.343 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -11.204 19.194 -5.457 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -11.516 20.120 -3.970 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -10.286 18.834 -3.976 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -11.944 16.849 -5.649 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -11.056 16.397 -4.175 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -12.799 16.062 -4.301 1.00 0.00 H new ATOM 851 N SER A 57 -14.162 18.097 0.329 1.00 0.00 N ATOM 852 CA SER A 57 -14.144 18.113 1.787 1.00 0.00 C ATOM 853 C SER A 57 -15.006 16.989 2.353 1.00 0.00 C ATOM 854 O SER A 57 -14.948 16.687 3.544 1.00 0.00 O ATOM 855 CB SER A 57 -14.638 19.463 2.309 1.00 0.00 C ATOM 856 OG SER A 57 -13.656 20.469 2.131 1.00 0.00 O ATOM 0 H SER A 57 -14.709 18.847 -0.094 1.00 0.00 H new ATOM 0 HA SER A 57 -13.116 17.959 2.115 1.00 0.00 H new ATOM 0 HB2 SER A 57 -15.552 19.746 1.787 1.00 0.00 H new ATOM 0 HB3 SER A 57 -14.889 19.378 3.366 1.00 0.00 H new ATOM 0 HG SER A 57 -13.997 21.323 2.471 1.00 0.00 H new ATOM 862 N ASN A 58 -15.807 16.373 1.489 1.00 0.00 N ATOM 863 CA ASN A 58 -16.683 15.283 1.902 1.00 0.00 C ATOM 864 C ASN A 58 -16.134 13.938 1.437 1.00 0.00 C ATOM 865 O ASN A 58 -16.885 12.981 1.248 1.00 0.00 O ATOM 866 CB ASN A 58 -18.091 15.493 1.343 1.00 0.00 C ATOM 867 CG ASN A 58 -18.774 16.709 1.937 1.00 0.00 C ATOM 868 OD1 ASN A 58 -18.328 17.255 2.946 1.00 0.00 O ATOM 869 ND2 ASN A 58 -19.864 17.140 1.312 1.00 0.00 N ATOM 0 H ASN A 58 -15.867 16.610 0.499 1.00 0.00 H new ATOM 0 HA ASN A 58 -16.729 15.279 2.991 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -18.036 15.604 0.260 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -18.694 14.607 1.543 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -20.366 17.954 1.666 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -20.199 16.657 0.478 1.00 0.00 H new ATOM 876 N ILE A 59 -14.819 13.873 1.254 1.00 0.00 N ATOM 877 CA ILE A 59 -14.169 12.645 0.813 1.00 0.00 C ATOM 878 C ILE A 59 -13.170 12.148 1.851 1.00 0.00 C ATOM 879 O ILE A 59 -12.335 12.910 2.340 1.00 0.00 O ATOM 880 CB ILE A 59 -13.441 12.845 -0.530 1.00 0.00 C ATOM 881 CG1 ILE A 59 -14.243 13.782 -1.435 1.00 0.00 C ATOM 882 CG2 ILE A 59 -13.214 11.505 -1.214 1.00 0.00 C ATOM 883 CD1 ILE A 59 -13.655 13.933 -2.821 1.00 0.00 C ATOM 0 H ILE A 59 -14.183 14.656 1.404 1.00 0.00 H new ATOM 0 HA ILE A 59 -14.955 11.901 0.684 1.00 0.00 H new ATOM 0 HB ILE A 59 -12.470 13.301 -0.336 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -15.263 13.407 -1.521 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -14.303 14.764 -0.966 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -12.699 11.663 -2.161 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -12.606 10.867 -0.572 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -14.174 11.024 -1.399 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -14.275 14.611 -3.407 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -12.646 14.338 -2.746 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -13.620 12.959 -3.310 1.00 0.00 H new ATOM 895 N LYS A 60 -13.258 10.865 2.183 1.00 0.00 N ATOM 896 CA LYS A 60 -12.360 10.263 3.161 1.00 0.00 C ATOM 897 C LYS A 60 -11.424 9.259 2.495 1.00 0.00 C ATOM 898 O LYS A 60 -11.830 8.462 1.650 1.00 0.00 O ATOM 899 CB LYS A 60 -13.164 9.572 4.265 1.00 0.00 C ATOM 900 CG LYS A 60 -14.498 10.238 4.554 1.00 0.00 C ATOM 901 CD LYS A 60 -14.331 11.460 5.442 1.00 0.00 C ATOM 902 CE LYS A 60 -14.108 12.720 4.620 1.00 0.00 C ATOM 903 NZ LYS A 60 -14.579 13.939 5.334 1.00 0.00 N ATOM 0 H LYS A 60 -13.943 10.221 1.788 1.00 0.00 H new ATOM 0 HA LYS A 60 -11.758 11.058 3.601 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -13.340 8.535 3.980 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -12.570 9.555 5.179 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -14.970 10.531 3.616 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -15.165 9.524 5.038 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -15.217 11.583 6.065 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -13.487 11.309 6.115 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -13.047 12.821 4.390 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -14.633 12.631 3.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -14.649 14.730 4.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -15.514 13.757 5.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -13.904 14.183 6.087 1.00 0.00 H new ATOM 917 N PRO A 61 -10.141 9.297 2.885 1.00 0.00 N ATOM 918 CA PRO A 61 -9.122 8.396 2.339 1.00 0.00 C ATOM 919 C PRO A 61 -9.319 6.954 2.794 1.00 0.00 C ATOM 920 O PRO A 61 -9.420 6.677 3.989 1.00 0.00 O ATOM 921 CB PRO A 61 -7.814 8.959 2.900 1.00 0.00 C ATOM 922 CG PRO A 61 -8.212 9.671 4.147 1.00 0.00 C ATOM 923 CD PRO A 61 -9.587 10.222 3.888 1.00 0.00 C ATOM 0 HA PRO A 61 -9.154 8.357 1.250 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -7.098 8.164 3.109 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -7.339 9.637 2.191 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -8.218 8.992 4.999 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -7.509 10.470 4.381 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -10.191 10.239 4.795 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -9.546 11.245 3.513 1.00 0.00 H new ATOM 931 N VAL A 62 -9.374 6.037 1.832 1.00 0.00 N ATOM 932 CA VAL A 62 -9.558 4.623 2.134 1.00 0.00 C ATOM 933 C VAL A 62 -8.238 3.866 2.046 1.00 0.00 C ATOM 934 O VAL A 62 -7.381 4.187 1.223 1.00 0.00 O ATOM 935 CB VAL A 62 -10.575 3.972 1.178 1.00 0.00 C ATOM 936 CG1 VAL A 62 -10.153 4.177 -0.270 1.00 0.00 C ATOM 937 CG2 VAL A 62 -10.730 2.492 1.492 1.00 0.00 C ATOM 0 H VAL A 62 -9.294 6.249 0.837 1.00 0.00 H new ATOM 0 HA VAL A 62 -9.940 4.565 3.153 1.00 0.00 H new ATOM 0 HB VAL A 62 -11.542 4.453 1.322 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -10.883 3.710 -0.931 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -10.098 5.244 -0.485 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -9.175 3.723 -0.432 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -11.452 2.048 0.807 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -9.768 1.993 1.378 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -11.081 2.372 2.517 1.00 0.00 H new ATOM 947 N GLN A 63 -8.081 2.859 2.900 1.00 0.00 N ATOM 948 CA GLN A 63 -6.864 2.056 2.918 1.00 0.00 C ATOM 949 C GLN A 63 -6.690 1.301 1.605 1.00 0.00 C ATOM 950 O GLN A 63 -7.659 0.802 1.030 1.00 0.00 O ATOM 951 CB GLN A 63 -6.896 1.070 4.087 1.00 0.00 C ATOM 952 CG GLN A 63 -5.517 0.699 4.608 1.00 0.00 C ATOM 953 CD GLN A 63 -5.550 -0.483 5.556 1.00 0.00 C ATOM 954 OE1 GLN A 63 -6.157 -1.513 5.262 1.00 0.00 O ATOM 955 NE2 GLN A 63 -4.894 -0.342 6.702 1.00 0.00 N ATOM 0 H GLN A 63 -8.781 2.580 3.588 1.00 0.00 H new ATOM 0 HA GLN A 63 -6.016 2.730 3.043 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -7.478 1.503 4.901 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -7.413 0.163 3.773 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -4.865 0.466 3.766 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -5.083 1.558 5.119 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -4.404 0.529 6.905 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -4.880 -1.105 7.379 1.00 0.00 H new ATOM 964 N THR A 64 -5.450 1.219 1.134 1.00 0.00 N ATOM 965 CA THR A 64 -5.149 0.526 -0.112 1.00 0.00 C ATOM 966 C THR A 64 -4.935 -0.964 0.125 1.00 0.00 C ATOM 967 O THR A 64 -4.177 -1.358 1.011 1.00 0.00 O ATOM 968 CB THR A 64 -3.898 1.111 -0.793 1.00 0.00 C ATOM 969 OG1 THR A 64 -3.664 0.449 -2.041 1.00 0.00 O ATOM 970 CG2 THR A 64 -2.676 0.963 0.102 1.00 0.00 C ATOM 0 H THR A 64 -4.637 1.625 1.597 1.00 0.00 H new ATOM 0 HA THR A 64 -6.009 0.667 -0.767 1.00 0.00 H new ATOM 0 HB THR A 64 -4.072 2.172 -0.972 1.00 0.00 H new ATOM 0 HG1 THR A 64 -2.868 0.828 -2.468 1.00 0.00 H new ATOM 0 HG21 THR A 64 -1.804 1.383 -0.400 1.00 0.00 H new ATOM 0 HG22 THR A 64 -2.845 1.493 1.039 1.00 0.00 H new ATOM 0 HG23 THR A 64 -2.502 -0.093 0.308 1.00 0.00 H new ATOM 978 N GLU A 65 -5.607 -1.789 -0.672 1.00 0.00 N ATOM 979 CA GLU A 65 -5.489 -3.237 -0.547 1.00 0.00 C ATOM 980 C GLU A 65 -4.137 -3.719 -1.065 1.00 0.00 C ATOM 981 O GLU A 65 -4.012 -4.124 -2.220 1.00 0.00 O ATOM 982 CB GLU A 65 -6.618 -3.931 -1.311 1.00 0.00 C ATOM 983 CG GLU A 65 -7.924 -4.002 -0.537 1.00 0.00 C ATOM 984 CD GLU A 65 -8.891 -5.017 -1.115 1.00 0.00 C ATOM 985 OE1 GLU A 65 -8.746 -5.364 -2.306 1.00 0.00 O ATOM 986 OE2 GLU A 65 -9.792 -5.465 -0.376 1.00 0.00 O ATOM 0 H GLU A 65 -6.238 -1.479 -1.411 1.00 0.00 H new ATOM 0 HA GLU A 65 -5.566 -3.492 0.510 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -6.789 -3.402 -2.248 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -6.303 -4.942 -1.569 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -7.713 -4.257 0.501 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -8.394 -3.019 -0.534 1.00 0.00 H new ATOM 993 N ALA A 66 -3.128 -3.672 -0.201 1.00 0.00 N ATOM 994 CA ALA A 66 -1.786 -4.105 -0.570 1.00 0.00 C ATOM 995 C ALA A 66 -1.475 -5.482 0.008 1.00 0.00 C ATOM 996 O ALA A 66 -0.385 -5.714 0.530 1.00 0.00 O ATOM 997 CB ALA A 66 -0.756 -3.089 -0.102 1.00 0.00 C ATOM 0 H ALA A 66 -3.215 -3.338 0.759 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.740 -4.177 -1.657 1.00 0.00 H new ATOM 0 HB1 ALA A 66 0.242 -3.426 -0.384 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -0.959 -2.124 -0.567 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -0.811 -2.988 0.982 1.00 0.00 H new ATOM 1003 N TRP A 67 -2.439 -6.390 -0.088 1.00 0.00 N ATOM 1004 CA TRP A 67 -2.268 -7.744 0.427 1.00 0.00 C ATOM 1005 C TRP A 67 -1.024 -8.397 -0.165 1.00 0.00 C ATOM 1006 O TRP A 67 -0.346 -7.813 -1.010 1.00 0.00 O ATOM 1007 CB TRP A 67 -3.502 -8.591 0.114 1.00 0.00 C ATOM 1008 CG TRP A 67 -4.637 -8.360 1.066 1.00 0.00 C ATOM 1009 CD1 TRP A 67 -5.214 -7.162 1.379 1.00 0.00 C ATOM 1010 CD2 TRP A 67 -5.331 -9.353 1.829 1.00 0.00 C ATOM 1011 NE1 TRP A 67 -6.225 -7.351 2.290 1.00 0.00 N ATOM 1012 CE2 TRP A 67 -6.317 -8.687 2.582 1.00 0.00 C ATOM 1013 CE3 TRP A 67 -5.216 -10.741 1.948 1.00 0.00 C ATOM 1014 CZ2 TRP A 67 -7.180 -9.361 3.441 1.00 0.00 C ATOM 1015 CZ3 TRP A 67 -6.073 -11.409 2.801 1.00 0.00 C ATOM 1016 CH2 TRP A 67 -7.045 -10.720 3.538 1.00 0.00 C ATOM 0 H TRP A 67 -3.347 -6.214 -0.518 1.00 0.00 H new ATOM 0 HA TRP A 67 -2.144 -7.682 1.508 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -3.837 -8.372 -0.900 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -3.226 -9.645 0.138 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -4.919 -6.207 0.970 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -6.812 -6.616 2.685 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -4.471 -11.281 1.383 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -7.929 -8.831 4.011 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -5.992 -12.481 2.901 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -7.701 -11.272 4.195 1.00 0.00 H new ATOM 1027 N VAL A 68 -0.730 -9.614 0.284 1.00 0.00 N ATOM 1028 CA VAL A 68 0.432 -10.348 -0.203 1.00 0.00 C ATOM 1029 C VAL A 68 0.115 -11.829 -0.373 1.00 0.00 C ATOM 1030 O VAL A 68 -0.352 -12.485 0.559 1.00 0.00 O ATOM 1031 CB VAL A 68 1.632 -10.196 0.751 1.00 0.00 C ATOM 1032 CG1 VAL A 68 2.027 -8.734 0.885 1.00 0.00 C ATOM 1033 CG2 VAL A 68 1.309 -10.796 2.111 1.00 0.00 C ATOM 0 H VAL A 68 -1.280 -10.112 0.984 1.00 0.00 H new ATOM 0 HA VAL A 68 0.692 -9.922 -1.172 1.00 0.00 H new ATOM 0 HB VAL A 68 2.479 -10.738 0.331 1.00 0.00 H new ATOM 0 HG11 VAL A 68 2.876 -8.647 1.563 1.00 0.00 H new ATOM 0 HG12 VAL A 68 2.302 -8.340 -0.093 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.186 -8.165 1.282 1.00 0.00 H new ATOM 0 HG21 VAL A 68 2.167 -10.680 2.773 1.00 0.00 H new ATOM 0 HG22 VAL A 68 0.448 -10.283 2.540 1.00 0.00 H new ATOM 0 HG23 VAL A 68 1.080 -11.855 1.996 1.00 0.00 H new ATOM 1043 N ARG A 69 0.373 -12.351 -1.567 1.00 0.00 N ATOM 1044 CA ARG A 69 0.115 -13.756 -1.859 1.00 0.00 C ATOM 1045 C ARG A 69 0.434 -14.630 -0.651 1.00 0.00 C ATOM 1046 O ARG A 69 1.554 -14.614 -0.139 1.00 0.00 O ATOM 1047 CB ARG A 69 0.942 -14.209 -3.063 1.00 0.00 C ATOM 1048 CG ARG A 69 0.438 -13.663 -4.389 1.00 0.00 C ATOM 1049 CD ARG A 69 -0.921 -14.242 -4.749 1.00 0.00 C ATOM 1050 NE ARG A 69 -1.380 -13.788 -6.060 1.00 0.00 N ATOM 1051 CZ ARG A 69 -2.636 -13.898 -6.477 1.00 0.00 C ATOM 1052 NH1 ARG A 69 -3.554 -14.443 -5.691 1.00 0.00 N ATOM 1053 NH2 ARG A 69 -2.976 -13.462 -7.683 1.00 0.00 N ATOM 0 H ARG A 69 0.761 -11.822 -2.348 1.00 0.00 H new ATOM 0 HA ARG A 69 -0.944 -13.864 -2.093 1.00 0.00 H new ATOM 0 HB2 ARG A 69 1.976 -13.896 -2.921 1.00 0.00 H new ATOM 0 HB3 ARG A 69 0.941 -15.298 -3.104 1.00 0.00 H new ATOM 0 HG2 ARG A 69 0.369 -12.577 -4.334 1.00 0.00 H new ATOM 0 HG3 ARG A 69 1.155 -13.897 -5.176 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -0.865 -15.331 -4.742 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -1.650 -13.955 -3.991 1.00 0.00 H new ATOM 0 HE ARG A 69 -0.699 -13.363 -6.689 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -3.296 -14.779 -4.763 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -4.518 -14.526 -6.014 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -2.272 -13.042 -8.291 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -3.941 -13.547 -8.003 1.00 0.00 H new ATOM 1067 N ASP A 70 -0.557 -15.391 -0.199 1.00 0.00 N ATOM 1068 CA ASP A 70 -0.381 -16.273 0.949 1.00 0.00 C ATOM 1069 C ASP A 70 -0.188 -17.718 0.500 1.00 0.00 C ATOM 1070 O ASP A 70 -0.784 -18.176 -0.475 1.00 0.00 O ATOM 1071 CB ASP A 70 -1.587 -16.173 1.885 1.00 0.00 C ATOM 1072 CG ASP A 70 -1.421 -15.087 2.929 1.00 0.00 C ATOM 1073 OD1 ASP A 70 -0.550 -15.240 3.811 1.00 0.00 O ATOM 1074 OD2 ASP A 70 -2.161 -14.084 2.864 1.00 0.00 O ATOM 0 H ASP A 70 -1.490 -15.415 -0.610 1.00 0.00 H new ATOM 0 HA ASP A 70 0.513 -15.956 1.486 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -2.484 -15.974 1.298 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -1.738 -17.131 2.382 1.00 0.00 H new ATOM 1079 N PRO A 71 0.664 -18.455 1.227 1.00 0.00 N ATOM 1080 CA PRO A 71 0.956 -19.859 0.922 1.00 0.00 C ATOM 1081 C PRO A 71 -0.231 -20.773 1.208 1.00 0.00 C ATOM 1082 O PRO A 71 -1.299 -20.312 1.607 1.00 0.00 O ATOM 1083 CB PRO A 71 2.123 -20.190 1.856 1.00 0.00 C ATOM 1084 CG PRO A 71 1.982 -19.235 2.991 1.00 0.00 C ATOM 1085 CD PRO A 71 1.409 -17.975 2.403 1.00 0.00 C ATOM 0 HA PRO A 71 1.182 -20.008 -0.134 1.00 0.00 H new ATOM 0 HB2 PRO A 71 2.074 -21.223 2.200 1.00 0.00 H new ATOM 0 HB3 PRO A 71 3.081 -20.067 1.351 1.00 0.00 H new ATOM 0 HG2 PRO A 71 1.326 -19.639 3.762 1.00 0.00 H new ATOM 0 HG3 PRO A 71 2.946 -19.043 3.461 1.00 0.00 H new ATOM 0 HD2 PRO A 71 0.757 -17.462 3.110 1.00 0.00 H new ATOM 0 HD3 PRO A 71 2.192 -17.270 2.123 1.00 0.00 H new ATOM 1093 N ASN A 72 -0.035 -22.071 1.002 1.00 0.00 N ATOM 1094 CA ASN A 72 -1.090 -23.050 1.238 1.00 0.00 C ATOM 1095 C ASN A 72 -1.653 -22.915 2.649 1.00 0.00 C ATOM 1096 O ASN A 72 -0.904 -22.769 3.616 1.00 0.00 O ATOM 1097 CB ASN A 72 -0.556 -24.468 1.023 1.00 0.00 C ATOM 1098 CG ASN A 72 0.502 -24.847 2.041 1.00 0.00 C ATOM 1099 OD1 ASN A 72 1.212 -23.989 2.564 1.00 0.00 O ATOM 1100 ND2 ASN A 72 0.612 -26.140 2.326 1.00 0.00 N ATOM 0 H ASN A 72 0.844 -22.469 0.672 1.00 0.00 H new ATOM 0 HA ASN A 72 -1.893 -22.859 0.526 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -1.382 -25.177 1.080 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -0.136 -24.547 0.020 1.00 0.00 H new ATOM 0 HD21 ASN A 72 1.307 -26.456 3.003 1.00 0.00 H new ATOM 0 HD22 ASN A 72 0.002 -26.817 1.868 1.00 0.00 H new ATOM 1107 N SER A 73 -2.976 -22.964 2.761 1.00 0.00 N ATOM 1108 CA SER A 73 -3.640 -22.843 4.054 1.00 0.00 C ATOM 1109 C SER A 73 -5.054 -23.411 3.993 1.00 0.00 C ATOM 1110 O SER A 73 -5.914 -22.891 3.283 1.00 0.00 O ATOM 1111 CB SER A 73 -3.684 -21.379 4.493 1.00 0.00 C ATOM 1112 OG SER A 73 -4.219 -21.254 5.800 1.00 0.00 O ATOM 0 H SER A 73 -3.610 -23.087 1.972 1.00 0.00 H new ATOM 0 HA SER A 73 -3.068 -23.416 4.784 1.00 0.00 H new ATOM 0 HB2 SER A 73 -2.679 -20.958 4.466 1.00 0.00 H new ATOM 0 HB3 SER A 73 -4.289 -20.804 3.792 1.00 0.00 H new ATOM 0 HG SER A 73 -4.235 -20.309 6.058 1.00 0.00 H new ATOM 1118 N GLY A 74 -5.288 -24.483 4.744 1.00 0.00 N ATOM 1119 CA GLY A 74 -6.599 -25.105 4.762 1.00 0.00 C ATOM 1120 C GLY A 74 -7.554 -24.416 5.717 1.00 0.00 C ATOM 1121 O GLY A 74 -8.345 -23.558 5.326 1.00 0.00 O ATOM 0 H GLY A 74 -4.593 -24.932 5.340 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -7.020 -25.088 3.757 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -6.497 -26.152 5.047 1.00 0.00 H new ATOM 1125 N PRO A 75 -7.488 -24.795 7.002 1.00 0.00 N ATOM 1126 CA PRO A 75 -8.348 -24.221 8.042 1.00 0.00 C ATOM 1127 C PRO A 75 -7.995 -22.770 8.350 1.00 0.00 C ATOM 1128 O PRO A 75 -6.831 -22.377 8.283 1.00 0.00 O ATOM 1129 CB PRO A 75 -8.073 -25.108 9.258 1.00 0.00 C ATOM 1130 CG PRO A 75 -6.707 -25.655 9.028 1.00 0.00 C ATOM 1131 CD PRO A 75 -6.569 -25.813 7.539 1.00 0.00 C ATOM 0 HA PRO A 75 -9.395 -24.201 7.740 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -8.119 -24.535 10.184 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -8.810 -25.907 9.340 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -5.946 -24.981 9.421 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -6.579 -26.611 9.535 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -5.544 -25.643 7.210 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -6.846 -26.816 7.214 1.00 0.00 H new ATOM 1139 N SER A 76 -9.008 -21.979 8.688 1.00 0.00 N ATOM 1140 CA SER A 76 -8.805 -20.570 9.003 1.00 0.00 C ATOM 1141 C SER A 76 -9.825 -20.091 10.032 1.00 0.00 C ATOM 1142 O SER A 76 -10.754 -20.817 10.386 1.00 0.00 O ATOM 1143 CB SER A 76 -8.907 -19.722 7.734 1.00 0.00 C ATOM 1144 OG SER A 76 -10.205 -19.799 7.171 1.00 0.00 O ATOM 0 H SER A 76 -9.977 -22.290 8.751 1.00 0.00 H new ATOM 0 HA SER A 76 -7.807 -20.458 9.427 1.00 0.00 H new ATOM 0 HB2 SER A 76 -8.669 -18.684 7.967 1.00 0.00 H new ATOM 0 HB3 SER A 76 -8.171 -20.062 7.006 1.00 0.00 H new ATOM 0 HG SER A 76 -10.244 -19.247 6.362 1.00 0.00 H new ATOM 1150 N SER A 77 -9.644 -18.863 10.507 1.00 0.00 N ATOM 1151 CA SER A 77 -10.546 -18.286 11.498 1.00 0.00 C ATOM 1152 C SER A 77 -11.185 -17.005 10.971 1.00 0.00 C ATOM 1153 O SER A 77 -10.797 -16.489 9.924 1.00 0.00 O ATOM 1154 CB SER A 77 -9.791 -17.996 12.797 1.00 0.00 C ATOM 1155 OG SER A 77 -8.761 -17.046 12.587 1.00 0.00 O ATOM 0 H SER A 77 -8.881 -18.248 10.222 1.00 0.00 H new ATOM 0 HA SER A 77 -11.336 -19.009 11.699 1.00 0.00 H new ATOM 0 HB2 SER A 77 -10.486 -17.623 13.550 1.00 0.00 H new ATOM 0 HB3 SER A 77 -9.364 -18.920 13.187 1.00 0.00 H new ATOM 0 HG SER A 77 -8.295 -16.877 13.432 1.00 0.00 H new ATOM 1161 N GLY A 78 -12.170 -16.497 11.706 1.00 0.00 N ATOM 1162 CA GLY A 78 -12.848 -15.281 11.297 1.00 0.00 C ATOM 1163 C GLY A 78 -13.831 -14.787 12.340 1.00 0.00 C ATOM 1164 O GLY A 78 -13.865 -15.296 13.461 1.00 0.00 O ATOM 0 H GLY A 78 -12.510 -16.906 12.577 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -12.109 -14.504 11.102 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -13.376 -15.460 10.360 1.00 0.00 H new TER 1168 GLY A 78