USER MOD reduce.3.24.130724 H: found=0, std=0, add=506, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 504 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 20 HIS : no HD1:sc= -0.0477 X(o=-0.048,f=0) USER MOD Set 1.2: A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 36:sc= 0.85 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 12 MET CE :methyl 178:sc= -1.63 (180deg=-1.76) USER MOD Single : A 13 MET CE :methyl -110:sc= -2.92 (180deg=-5.96!) USER MOD Single : A 15 HIS : no HD1:sc= -0.537 X(o=-0.54,f=-0.055) USER MOD Single : A 19 ASN : amide:sc= -0.744 K(o=-0.74,f=-1.8!) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -161:sc= -0.0443 (180deg=-0.376) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HE2:sc= 0.485 K(o=0.49,f=-1.6!) USER MOD Single : A 29 HIS : no HD1:sc= -3.55 K(o=-3.6,f=-7.2!) USER MOD Single : A 30 TYR OH : rot 29:sc= 1.16 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -3.1! C(o=-3.1!,f=-4.9!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0.722 USER MOD Single : A 52 GLN : amide:sc= -0.0293 K(o=-0.029,f=-1.7!) USER MOD Single : A 54 TYR OH : rot 150:sc= 1.23 USER MOD Single : A 58 LYS NZ :NH3+ -137:sc= 0.39 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= -0.178 K(o=-0.18,f=-1.1) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -0.86 K(o=-0.86,f=-0.26) USER MOD Single : A 64 HIS : no HD1:sc= -1.62 K(o=-1.6,f=-0.063) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -4.283 8.794 -11.586 1.00 0.00 N ATOM 2 CA GLY A 1 -5.606 9.054 -12.122 1.00 0.00 C ATOM 3 C GLY A 1 -6.570 7.912 -11.868 1.00 0.00 C ATOM 4 O GLY A 1 -6.404 6.818 -12.408 1.00 0.00 O ATOM 0 H1 GLY A 1 -3.662 9.604 -11.786 1.00 0.00 H new ATOM 0 H2 GLY A 1 -4.347 8.652 -10.558 1.00 0.00 H new ATOM 0 H3 GLY A 1 -3.890 7.939 -12.030 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.003 9.966 -11.676 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.532 9.231 -13.195 1.00 0.00 H new ATOM 8 N SER A 2 -7.580 8.165 -11.042 1.00 0.00 N ATOM 9 CA SER A 2 -8.572 7.148 -10.713 1.00 0.00 C ATOM 10 C SER A 2 -9.775 7.239 -11.646 1.00 0.00 C ATOM 11 O SER A 2 -10.708 8.003 -11.401 1.00 0.00 O ATOM 12 CB SER A 2 -9.026 7.300 -9.260 1.00 0.00 C ATOM 13 OG SER A 2 -9.990 6.318 -8.921 1.00 0.00 O ATOM 0 H SER A 2 -7.733 9.066 -10.588 1.00 0.00 H new ATOM 0 HA SER A 2 -8.109 6.170 -10.841 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.166 7.214 -8.596 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.447 8.294 -9.109 1.00 0.00 H new ATOM 0 HG SER A 2 -10.263 6.436 -7.987 1.00 0.00 H new ATOM 19 N SER A 3 -9.745 6.454 -12.718 1.00 0.00 N ATOM 20 CA SER A 3 -10.830 6.447 -13.692 1.00 0.00 C ATOM 21 C SER A 3 -10.771 5.197 -14.564 1.00 0.00 C ATOM 22 O SER A 3 -9.693 4.686 -14.863 1.00 0.00 O ATOM 23 CB SER A 3 -10.763 7.698 -14.570 1.00 0.00 C ATOM 24 OG SER A 3 -11.466 8.776 -13.977 1.00 0.00 O ATOM 0 H SER A 3 -8.981 5.814 -12.934 1.00 0.00 H new ATOM 0 HA SER A 3 -11.774 6.444 -13.147 1.00 0.00 H new ATOM 0 HB2 SER A 3 -9.722 7.981 -14.726 1.00 0.00 H new ATOM 0 HB3 SER A 3 -11.185 7.480 -15.551 1.00 0.00 H new ATOM 0 HG SER A 3 -11.360 8.739 -13.003 1.00 0.00 H new ATOM 30 N GLY A 4 -11.940 4.709 -14.968 1.00 0.00 N ATOM 31 CA GLY A 4 -12.001 3.522 -15.801 1.00 0.00 C ATOM 32 C GLY A 4 -11.191 2.373 -15.233 1.00 0.00 C ATOM 33 O GLY A 4 -10.008 2.227 -15.539 1.00 0.00 O ATOM 0 H GLY A 4 -12.846 5.115 -14.733 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -13.040 3.211 -15.910 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.634 3.763 -16.799 1.00 0.00 H new ATOM 37 N SER A 5 -11.830 1.555 -14.402 1.00 0.00 N ATOM 38 CA SER A 5 -11.160 0.417 -13.785 1.00 0.00 C ATOM 39 C SER A 5 -12.159 -0.462 -13.038 1.00 0.00 C ATOM 40 O SER A 5 -13.077 0.038 -12.387 1.00 0.00 O ATOM 41 CB SER A 5 -10.070 0.898 -12.826 1.00 0.00 C ATOM 42 OG SER A 5 -10.627 1.614 -11.738 1.00 0.00 O ATOM 0 H SER A 5 -12.810 1.660 -14.141 1.00 0.00 H new ATOM 0 HA SER A 5 -10.701 -0.176 -14.576 1.00 0.00 H new ATOM 0 HB2 SER A 5 -9.507 0.043 -12.452 1.00 0.00 H new ATOM 0 HB3 SER A 5 -9.365 1.534 -13.361 1.00 0.00 H new ATOM 0 HG SER A 5 -9.910 1.909 -11.139 1.00 0.00 H new ATOM 48 N SER A 6 -11.973 -1.774 -13.136 1.00 0.00 N ATOM 49 CA SER A 6 -12.859 -2.724 -12.473 1.00 0.00 C ATOM 50 C SER A 6 -12.174 -3.355 -11.265 1.00 0.00 C ATOM 51 O SER A 6 -12.272 -4.560 -11.041 1.00 0.00 O ATOM 52 CB SER A 6 -13.297 -3.814 -13.453 1.00 0.00 C ATOM 53 OG SER A 6 -12.181 -4.536 -13.945 1.00 0.00 O ATOM 0 H SER A 6 -11.217 -2.204 -13.668 1.00 0.00 H new ATOM 0 HA SER A 6 -13.739 -2.182 -12.127 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.986 -4.497 -12.957 1.00 0.00 H new ATOM 0 HB3 SER A 6 -13.838 -3.363 -14.285 1.00 0.00 H new ATOM 0 HG SER A 6 -12.488 -5.228 -14.568 1.00 0.00 H new ATOM 59 N GLY A 7 -11.478 -2.529 -10.489 1.00 0.00 N ATOM 60 CA GLY A 7 -10.786 -3.023 -9.313 1.00 0.00 C ATOM 61 C GLY A 7 -9.292 -3.159 -9.534 1.00 0.00 C ATOM 62 O GLY A 7 -8.759 -2.680 -10.535 1.00 0.00 O ATOM 0 H GLY A 7 -11.381 -1.527 -10.654 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -10.967 -2.346 -8.478 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -11.199 -3.992 -9.033 1.00 0.00 H new ATOM 66 N LYS A 8 -8.614 -3.813 -8.597 1.00 0.00 N ATOM 67 CA LYS A 8 -7.173 -4.011 -8.692 1.00 0.00 C ATOM 68 C LYS A 8 -6.845 -5.455 -9.058 1.00 0.00 C ATOM 69 O LYS A 8 -7.617 -6.378 -8.795 1.00 0.00 O ATOM 70 CB LYS A 8 -6.498 -3.643 -7.369 1.00 0.00 C ATOM 71 CG LYS A 8 -6.170 -2.165 -7.244 1.00 0.00 C ATOM 72 CD LYS A 8 -4.862 -1.823 -7.938 1.00 0.00 C ATOM 73 CE LYS A 8 -4.391 -0.422 -7.581 1.00 0.00 C ATOM 74 NZ LYS A 8 -4.969 0.606 -8.490 1.00 0.00 N ATOM 0 H LYS A 8 -9.040 -4.215 -7.762 1.00 0.00 H new ATOM 0 HA LYS A 8 -6.794 -3.360 -9.480 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -7.150 -3.933 -6.545 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -5.579 -4.220 -7.267 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -6.978 -1.574 -7.677 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -6.106 -1.894 -6.190 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -4.099 -2.548 -7.655 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -4.991 -1.901 -9.018 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -4.671 -0.196 -6.552 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -3.303 -0.381 -7.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -4.624 1.547 -8.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -4.681 0.405 -9.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -6.007 0.585 -8.423 1.00 0.00 H new ATOM 88 N PRO A 9 -5.673 -5.658 -9.678 1.00 0.00 N ATOM 89 CA PRO A 9 -5.216 -6.988 -10.091 1.00 0.00 C ATOM 90 C PRO A 9 -4.852 -7.871 -8.902 1.00 0.00 C ATOM 91 O PRO A 9 -4.919 -7.437 -7.752 1.00 0.00 O ATOM 92 CB PRO A 9 -3.975 -6.690 -10.936 1.00 0.00 C ATOM 93 CG PRO A 9 -3.481 -5.377 -10.434 1.00 0.00 C ATOM 94 CD PRO A 9 -4.704 -4.605 -10.024 1.00 0.00 C ATOM 0 HA PRO A 9 -5.991 -7.537 -10.626 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -3.220 -7.468 -10.819 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -4.221 -6.641 -11.997 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -2.803 -5.511 -9.591 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -2.926 -4.847 -11.208 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -4.501 -3.952 -9.176 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -5.070 -3.973 -10.833 1.00 0.00 H new ATOM 102 N GLU A 10 -4.465 -9.110 -9.187 1.00 0.00 N ATOM 103 CA GLU A 10 -4.091 -10.053 -8.140 1.00 0.00 C ATOM 104 C GLU A 10 -2.576 -10.226 -8.080 1.00 0.00 C ATOM 105 O GLU A 10 -1.982 -10.221 -7.002 1.00 0.00 O ATOM 106 CB GLU A 10 -4.761 -11.408 -8.378 1.00 0.00 C ATOM 107 CG GLU A 10 -4.797 -11.820 -9.840 1.00 0.00 C ATOM 108 CD GLU A 10 -5.478 -13.158 -10.053 1.00 0.00 C ATOM 109 OE1 GLU A 10 -6.702 -13.245 -9.821 1.00 0.00 O ATOM 110 OE2 GLU A 10 -4.787 -14.118 -10.451 1.00 0.00 O ATOM 0 H GLU A 10 -4.402 -9.484 -10.134 1.00 0.00 H new ATOM 0 HA GLU A 10 -4.432 -9.651 -7.186 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -4.232 -12.171 -7.807 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -5.780 -11.372 -7.994 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -5.318 -11.056 -10.416 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -3.778 -11.870 -10.225 1.00 0.00 H new ATOM 117 N TRP A 11 -1.958 -10.381 -9.245 1.00 0.00 N ATOM 118 CA TRP A 11 -0.512 -10.557 -9.327 1.00 0.00 C ATOM 119 C TRP A 11 0.212 -9.494 -8.507 1.00 0.00 C ATOM 120 O TRP A 11 1.307 -9.730 -7.998 1.00 0.00 O ATOM 121 CB TRP A 11 -0.052 -10.496 -10.784 1.00 0.00 C ATOM 122 CG TRP A 11 -0.446 -9.228 -11.479 1.00 0.00 C ATOM 123 CD1 TRP A 11 -1.658 -8.943 -12.039 1.00 0.00 C ATOM 124 CD2 TRP A 11 0.377 -8.076 -11.690 1.00 0.00 C ATOM 125 NE1 TRP A 11 -1.639 -7.682 -12.585 1.00 0.00 N ATOM 126 CE2 TRP A 11 -0.403 -7.129 -12.384 1.00 0.00 C ATOM 127 CE3 TRP A 11 1.695 -7.750 -11.360 1.00 0.00 C ATOM 128 CZ2 TRP A 11 0.095 -5.882 -12.752 1.00 0.00 C ATOM 129 CZ3 TRP A 11 2.187 -6.512 -11.726 1.00 0.00 C ATOM 130 CH2 TRP A 11 1.389 -5.589 -12.415 1.00 0.00 C ATOM 0 H TRP A 11 -2.435 -10.388 -10.146 1.00 0.00 H new ATOM 0 HA TRP A 11 -0.266 -11.536 -8.917 1.00 0.00 H new ATOM 0 HB2 TRP A 11 1.032 -10.599 -10.820 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -0.471 -11.344 -11.326 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -2.507 -9.610 -12.051 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -2.419 -7.231 -13.063 1.00 0.00 H new ATOM 0 HE3 TRP A 11 2.318 -8.454 -10.828 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -0.518 -5.171 -13.285 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 3.205 -6.251 -11.477 1.00 0.00 H new ATOM 0 HH2 TRP A 11 1.803 -4.629 -12.685 1.00 0.00 H new ATOM 141 N MET A 12 -0.407 -8.325 -8.383 1.00 0.00 N ATOM 142 CA MET A 12 0.180 -7.227 -7.623 1.00 0.00 C ATOM 143 C MET A 12 0.137 -7.518 -6.126 1.00 0.00 C ATOM 144 O MET A 12 -0.903 -7.898 -5.588 1.00 0.00 O ATOM 145 CB MET A 12 -0.558 -5.920 -7.922 1.00 0.00 C ATOM 146 CG MET A 12 0.006 -5.163 -9.113 1.00 0.00 C ATOM 147 SD MET A 12 1.722 -4.664 -8.870 1.00 0.00 S ATOM 148 CE MET A 12 1.589 -2.889 -9.071 1.00 0.00 C ATOM 0 H MET A 12 -1.314 -8.113 -8.798 1.00 0.00 H new ATOM 0 HA MET A 12 1.222 -7.125 -7.925 1.00 0.00 H new ATOM 0 HB2 MET A 12 -1.610 -6.140 -8.106 1.00 0.00 H new ATOM 0 HB3 MET A 12 -0.516 -5.279 -7.041 1.00 0.00 H new ATOM 0 HG2 MET A 12 -0.064 -5.789 -10.003 1.00 0.00 H new ATOM 0 HG3 MET A 12 -0.603 -4.278 -9.298 1.00 0.00 H new ATOM 0 HE1 MET A 12 2.565 -2.431 -8.914 1.00 0.00 H new ATOM 0 HE2 MET A 12 1.240 -2.662 -10.078 1.00 0.00 H new ATOM 0 HE3 MET A 12 0.881 -2.493 -8.343 1.00 0.00 H new ATOM 158 N MET A 13 1.272 -7.338 -5.460 1.00 0.00 N ATOM 159 CA MET A 13 1.363 -7.581 -4.025 1.00 0.00 C ATOM 160 C MET A 13 1.921 -6.360 -3.301 1.00 0.00 C ATOM 161 O MET A 13 2.282 -5.365 -3.931 1.00 0.00 O ATOM 162 CB MET A 13 2.244 -8.800 -3.746 1.00 0.00 C ATOM 163 CG MET A 13 1.940 -9.987 -4.646 1.00 0.00 C ATOM 164 SD MET A 13 3.389 -11.016 -4.952 1.00 0.00 S ATOM 165 CE MET A 13 4.393 -9.902 -5.932 1.00 0.00 C ATOM 0 H MET A 13 2.142 -7.025 -5.891 1.00 0.00 H new ATOM 0 HA MET A 13 0.358 -7.776 -3.651 1.00 0.00 H new ATOM 0 HB2 MET A 13 3.290 -8.519 -3.870 1.00 0.00 H new ATOM 0 HB3 MET A 13 2.116 -9.100 -2.706 1.00 0.00 H new ATOM 0 HG2 MET A 13 1.158 -10.594 -4.189 1.00 0.00 H new ATOM 0 HG3 MET A 13 1.548 -9.626 -5.597 1.00 0.00 H new ATOM 0 HE1 MET A 13 4.436 -10.260 -6.960 1.00 0.00 H new ATOM 0 HE2 MET A 13 3.954 -8.905 -5.913 1.00 0.00 H new ATOM 0 HE3 MET A 13 5.401 -9.862 -5.519 1.00 0.00 H new ATOM 175 N ILE A 14 1.989 -6.442 -1.976 1.00 0.00 N ATOM 176 CA ILE A 14 2.505 -5.344 -1.169 1.00 0.00 C ATOM 177 C ILE A 14 3.655 -5.807 -0.281 1.00 0.00 C ATOM 178 O ILE A 14 3.438 -6.329 0.813 1.00 0.00 O ATOM 179 CB ILE A 14 1.403 -4.731 -0.284 1.00 0.00 C ATOM 180 CG1 ILE A 14 0.250 -4.219 -1.149 1.00 0.00 C ATOM 181 CG2 ILE A 14 1.973 -3.606 0.568 1.00 0.00 C ATOM 182 CD1 ILE A 14 -0.772 -3.413 -0.378 1.00 0.00 C ATOM 0 H ILE A 14 1.693 -7.257 -1.439 1.00 0.00 H new ATOM 0 HA ILE A 14 2.868 -4.586 -1.863 1.00 0.00 H new ATOM 0 HB ILE A 14 1.018 -5.505 0.380 1.00 0.00 H new ATOM 0 HG12 ILE A 14 0.655 -3.604 -1.953 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -0.247 -5.068 -1.617 1.00 0.00 H new ATOM 0 HG21 ILE A 14 1.183 -3.183 1.188 1.00 0.00 H new ATOM 0 HG22 ILE A 14 2.764 -3.998 1.207 1.00 0.00 H new ATOM 0 HG23 ILE A 14 2.381 -2.830 -0.080 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -1.560 -3.082 -1.054 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -1.205 -4.031 0.409 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -0.289 -2.544 0.068 1.00 0.00 H new ATOM 194 N HIS A 15 4.880 -5.611 -0.759 1.00 0.00 N ATOM 195 CA HIS A 15 6.066 -6.006 -0.008 1.00 0.00 C ATOM 196 C HIS A 15 5.938 -5.606 1.459 1.00 0.00 C ATOM 197 O HIS A 15 5.907 -6.461 2.345 1.00 0.00 O ATOM 198 CB HIS A 15 7.316 -5.368 -0.615 1.00 0.00 C ATOM 199 CG HIS A 15 8.594 -6.007 -0.165 1.00 0.00 C ATOM 200 ND1 HIS A 15 9.659 -6.237 -1.009 1.00 0.00 N ATOM 201 CD2 HIS A 15 8.974 -6.464 1.051 1.00 0.00 C ATOM 202 CE1 HIS A 15 10.639 -6.809 -0.333 1.00 0.00 C ATOM 203 NE2 HIS A 15 10.249 -6.958 0.920 1.00 0.00 N ATOM 0 H HIS A 15 5.077 -5.181 -1.663 1.00 0.00 H new ATOM 0 HA HIS A 15 6.157 -7.091 -0.064 1.00 0.00 H new ATOM 0 HB2 HIS A 15 7.253 -5.427 -1.702 1.00 0.00 H new ATOM 0 HB3 HIS A 15 7.337 -4.310 -0.354 1.00 0.00 H new ATOM 0 HD2 HIS A 15 8.385 -6.444 1.956 1.00 0.00 H new ATOM 0 HE1 HIS A 15 11.596 -7.105 -0.736 1.00 0.00 H new ATOM 0 HE2 HIS A 15 10.804 -7.372 1.669 1.00 0.00 H new ATOM 212 N ARG A 16 5.866 -4.303 1.708 1.00 0.00 N ATOM 213 CA ARG A 16 5.744 -3.790 3.068 1.00 0.00 C ATOM 214 C ARG A 16 5.502 -2.284 3.061 1.00 0.00 C ATOM 215 O ARG A 16 5.988 -1.571 2.183 1.00 0.00 O ATOM 216 CB ARG A 16 7.005 -4.112 3.872 1.00 0.00 C ATOM 217 CG ARG A 16 8.264 -3.470 3.313 1.00 0.00 C ATOM 218 CD ARG A 16 9.436 -3.615 4.271 1.00 0.00 C ATOM 219 NE ARG A 16 10.159 -4.867 4.066 1.00 0.00 N ATOM 220 CZ ARG A 16 11.150 -5.280 4.848 1.00 0.00 C ATOM 221 NH1 ARG A 16 11.534 -4.544 5.882 1.00 0.00 N ATOM 222 NH2 ARG A 16 11.759 -6.432 4.597 1.00 0.00 N ATOM 0 H ARG A 16 5.890 -3.583 0.986 1.00 0.00 H new ATOM 0 HA ARG A 16 4.889 -4.275 3.538 1.00 0.00 H new ATOM 0 HB2 ARG A 16 6.864 -3.780 4.901 1.00 0.00 H new ATOM 0 HB3 ARG A 16 7.141 -5.193 3.901 1.00 0.00 H new ATOM 0 HG2 ARG A 16 8.515 -3.930 2.357 1.00 0.00 H new ATOM 0 HG3 ARG A 16 8.080 -2.413 3.119 1.00 0.00 H new ATOM 0 HD2 ARG A 16 10.119 -2.776 4.138 1.00 0.00 H new ATOM 0 HD3 ARG A 16 9.073 -3.570 5.298 1.00 0.00 H new ATOM 0 HE ARG A 16 9.888 -5.457 3.279 1.00 0.00 H new ATOM 0 HH11 ARG A 16 11.068 -3.658 6.079 1.00 0.00 H new ATOM 0 HH12 ARG A 16 12.295 -4.864 6.481 1.00 0.00 H new ATOM 0 HH21 ARG A 16 11.466 -7.001 3.803 1.00 0.00 H new ATOM 0 HH22 ARG A 16 12.520 -6.748 5.198 1.00 0.00 H new ATOM 236 N ILE A 17 4.748 -1.807 4.046 1.00 0.00 N ATOM 237 CA ILE A 17 4.443 -0.385 4.153 1.00 0.00 C ATOM 238 C ILE A 17 5.692 0.421 4.491 1.00 0.00 C ATOM 239 O ILE A 17 6.084 0.522 5.654 1.00 0.00 O ATOM 240 CB ILE A 17 3.369 -0.120 5.225 1.00 0.00 C ATOM 241 CG1 ILE A 17 2.023 -0.698 4.783 1.00 0.00 C ATOM 242 CG2 ILE A 17 3.247 1.373 5.494 1.00 0.00 C ATOM 243 CD1 ILE A 17 1.037 -0.869 5.918 1.00 0.00 C ATOM 0 H ILE A 17 4.337 -2.383 4.781 1.00 0.00 H new ATOM 0 HA ILE A 17 4.062 -0.069 3.182 1.00 0.00 H new ATOM 0 HB ILE A 17 3.669 -0.613 6.149 1.00 0.00 H new ATOM 0 HG12 ILE A 17 1.586 -0.044 4.028 1.00 0.00 H new ATOM 0 HG13 ILE A 17 2.190 -1.665 4.309 1.00 0.00 H new ATOM 0 HG21 ILE A 17 2.484 1.545 6.254 1.00 0.00 H new ATOM 0 HG22 ILE A 17 4.204 1.759 5.847 1.00 0.00 H new ATOM 0 HG23 ILE A 17 2.966 1.887 4.575 1.00 0.00 H new ATOM 0 HD11 ILE A 17 0.106 -1.283 5.532 1.00 0.00 H new ATOM 0 HD12 ILE A 17 1.454 -1.547 6.663 1.00 0.00 H new ATOM 0 HD13 ILE A 17 0.840 0.099 6.378 1.00 0.00 H new ATOM 255 N LEU A 18 6.313 0.996 3.467 1.00 0.00 N ATOM 256 CA LEU A 18 7.518 1.796 3.654 1.00 0.00 C ATOM 257 C LEU A 18 7.268 2.935 4.637 1.00 0.00 C ATOM 258 O LEU A 18 8.043 3.145 5.569 1.00 0.00 O ATOM 259 CB LEU A 18 7.994 2.360 2.314 1.00 0.00 C ATOM 260 CG LEU A 18 8.020 1.376 1.144 1.00 0.00 C ATOM 261 CD1 LEU A 18 8.598 2.038 -0.098 1.00 0.00 C ATOM 262 CD2 LEU A 18 8.819 0.134 1.509 1.00 0.00 C ATOM 0 H LEU A 18 6.002 0.923 2.498 1.00 0.00 H new ATOM 0 HA LEU A 18 8.293 1.149 4.065 1.00 0.00 H new ATOM 0 HB2 LEU A 18 7.349 3.197 2.045 1.00 0.00 H new ATOM 0 HB3 LEU A 18 8.998 2.762 2.448 1.00 0.00 H new ATOM 0 HG LEU A 18 6.996 1.074 0.926 1.00 0.00 H new ATOM 0 HD11 LEU A 18 8.609 1.322 -0.920 1.00 0.00 H new ATOM 0 HD12 LEU A 18 7.984 2.896 -0.372 1.00 0.00 H new ATOM 0 HD13 LEU A 18 9.616 2.370 0.107 1.00 0.00 H new ATOM 0 HD21 LEU A 18 8.827 -0.555 0.664 1.00 0.00 H new ATOM 0 HD22 LEU A 18 9.842 0.419 1.754 1.00 0.00 H new ATOM 0 HD23 LEU A 18 8.361 -0.353 2.370 1.00 0.00 H new ATOM 274 N ASN A 19 6.179 3.666 4.423 1.00 0.00 N ATOM 275 CA ASN A 19 5.825 4.783 5.292 1.00 0.00 C ATOM 276 C ASN A 19 4.407 5.269 5.003 1.00 0.00 C ATOM 277 O ASN A 19 3.701 4.698 4.171 1.00 0.00 O ATOM 278 CB ASN A 19 6.817 5.933 5.108 1.00 0.00 C ATOM 279 CG ASN A 19 6.931 6.801 6.346 1.00 0.00 C ATOM 280 OD1 ASN A 19 6.385 7.903 6.398 1.00 0.00 O ATOM 281 ND2 ASN A 19 7.645 6.307 7.351 1.00 0.00 N ATOM 0 H ASN A 19 5.526 3.505 3.656 1.00 0.00 H new ATOM 0 HA ASN A 19 5.868 4.436 6.324 1.00 0.00 H new ATOM 0 HB2 ASN A 19 7.798 5.527 4.860 1.00 0.00 H new ATOM 0 HB3 ASN A 19 6.504 6.548 4.264 1.00 0.00 H new ATOM 0 HD21 ASN A 19 7.758 6.846 8.210 1.00 0.00 H new ATOM 0 HD22 ASN A 19 8.080 5.389 7.264 1.00 0.00 H new ATOM 288 N HIS A 20 3.997 6.326 5.697 1.00 0.00 N ATOM 289 CA HIS A 20 2.664 6.890 5.514 1.00 0.00 C ATOM 290 C HIS A 20 2.724 8.412 5.439 1.00 0.00 C ATOM 291 O HIS A 20 3.686 9.029 5.896 1.00 0.00 O ATOM 292 CB HIS A 20 1.745 6.459 6.658 1.00 0.00 C ATOM 293 CG HIS A 20 1.945 7.247 7.916 1.00 0.00 C ATOM 294 ND1 HIS A 20 2.901 6.930 8.858 1.00 0.00 N ATOM 295 CD2 HIS A 20 1.306 8.344 8.384 1.00 0.00 C ATOM 296 CE1 HIS A 20 2.841 7.798 9.852 1.00 0.00 C ATOM 297 NE2 HIS A 20 1.881 8.667 9.589 1.00 0.00 N ATOM 0 H HIS A 20 4.568 6.809 6.391 1.00 0.00 H new ATOM 0 HA HIS A 20 2.262 6.514 4.573 1.00 0.00 H new ATOM 0 HB2 HIS A 20 0.708 6.559 6.337 1.00 0.00 H new ATOM 0 HB3 HIS A 20 1.913 5.403 6.870 1.00 0.00 H new ATOM 0 HD2 HIS A 20 0.495 8.868 7.900 1.00 0.00 H new ATOM 0 HE1 HIS A 20 3.470 7.797 10.730 1.00 0.00 H new ATOM 0 HE2 HIS A 20 1.611 9.450 10.184 1.00 0.00 H new ATOM 306 N SER A 21 1.689 9.012 4.859 1.00 0.00 N ATOM 307 CA SER A 21 1.626 10.462 4.720 1.00 0.00 C ATOM 308 C SER A 21 0.226 10.908 4.308 1.00 0.00 C ATOM 309 O SER A 21 -0.302 10.469 3.286 1.00 0.00 O ATOM 310 CB SER A 21 2.651 10.942 3.690 1.00 0.00 C ATOM 311 OG SER A 21 2.322 12.233 3.207 1.00 0.00 O ATOM 0 H SER A 21 0.883 8.516 4.478 1.00 0.00 H new ATOM 0 HA SER A 21 1.859 10.906 5.688 1.00 0.00 H new ATOM 0 HB2 SER A 21 3.643 10.961 4.141 1.00 0.00 H new ATOM 0 HB3 SER A 21 2.692 10.239 2.858 1.00 0.00 H new ATOM 0 HG SER A 21 2.993 12.518 2.552 1.00 0.00 H new ATOM 317 N VAL A 22 -0.369 11.785 5.111 1.00 0.00 N ATOM 318 CA VAL A 22 -1.707 12.292 4.830 1.00 0.00 C ATOM 319 C VAL A 22 -1.656 13.733 4.336 1.00 0.00 C ATOM 320 O VAL A 22 -1.346 14.650 5.097 1.00 0.00 O ATOM 321 CB VAL A 22 -2.608 12.220 6.078 1.00 0.00 C ATOM 322 CG1 VAL A 22 -1.903 12.827 7.281 1.00 0.00 C ATOM 323 CG2 VAL A 22 -3.934 12.918 5.818 1.00 0.00 C ATOM 0 H VAL A 22 0.054 12.159 5.961 1.00 0.00 H new ATOM 0 HA VAL A 22 -2.128 11.658 4.050 1.00 0.00 H new ATOM 0 HB VAL A 22 -2.812 11.172 6.298 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -2.554 12.767 8.153 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -0.982 12.278 7.478 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -1.667 13.871 7.076 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -4.558 12.858 6.710 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.752 13.964 5.572 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -4.443 12.433 4.985 1.00 0.00 H new ATOM 333 N ASP A 23 -1.962 13.926 3.058 1.00 0.00 N ATOM 334 CA ASP A 23 -1.953 15.257 2.462 1.00 0.00 C ATOM 335 C ASP A 23 -3.042 16.134 3.073 1.00 0.00 C ATOM 336 O ASP A 23 -3.816 15.683 3.918 1.00 0.00 O ATOM 337 CB ASP A 23 -2.147 15.162 0.948 1.00 0.00 C ATOM 338 CG ASP A 23 -1.606 16.376 0.218 1.00 0.00 C ATOM 339 OD1 ASP A 23 -0.522 16.862 0.599 1.00 0.00 O ATOM 340 OD2 ASP A 23 -2.268 16.840 -0.734 1.00 0.00 O ATOM 0 H ASP A 23 -2.219 13.178 2.415 1.00 0.00 H new ATOM 0 HA ASP A 23 -0.985 15.714 2.669 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -1.649 14.266 0.576 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -3.209 15.052 0.727 1.00 0.00 H new ATOM 345 N LYS A 24 -3.095 17.389 2.641 1.00 0.00 N ATOM 346 CA LYS A 24 -4.088 18.330 3.144 1.00 0.00 C ATOM 347 C LYS A 24 -5.496 17.755 3.021 1.00 0.00 C ATOM 348 O LYS A 24 -6.310 17.876 3.936 1.00 0.00 O ATOM 349 CB LYS A 24 -3.999 19.654 2.382 1.00 0.00 C ATOM 350 CG LYS A 24 -4.794 20.779 3.021 1.00 0.00 C ATOM 351 CD LYS A 24 -4.029 21.422 4.166 1.00 0.00 C ATOM 352 CE LYS A 24 -4.665 22.737 4.593 1.00 0.00 C ATOM 353 NZ LYS A 24 -4.565 23.772 3.528 1.00 0.00 N ATOM 0 H LYS A 24 -2.461 17.778 1.943 1.00 0.00 H new ATOM 0 HA LYS A 24 -3.879 18.509 4.199 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -2.953 19.954 2.312 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -4.356 19.502 1.363 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -5.028 21.533 2.269 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -5.744 20.391 3.389 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -4.000 20.738 5.015 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -2.997 21.598 3.862 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -5.713 22.570 4.840 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -4.178 23.099 5.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -4.704 24.714 3.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -3.625 23.725 3.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -5.296 23.601 2.808 1.00 0.00 H new ATOM 367 N LYS A 25 -5.775 17.127 1.884 1.00 0.00 N ATOM 368 CA LYS A 25 -7.083 16.529 1.641 1.00 0.00 C ATOM 369 C LYS A 25 -7.590 15.807 2.884 1.00 0.00 C ATOM 370 O LYS A 25 -8.791 15.777 3.150 1.00 0.00 O ATOM 371 CB LYS A 25 -7.009 15.552 0.465 1.00 0.00 C ATOM 372 CG LYS A 25 -6.586 16.203 -0.841 1.00 0.00 C ATOM 373 CD LYS A 25 -7.784 16.718 -1.621 1.00 0.00 C ATOM 374 CE LYS A 25 -8.362 15.644 -2.529 1.00 0.00 C ATOM 375 NZ LYS A 25 -7.583 15.507 -3.791 1.00 0.00 N ATOM 0 H LYS A 25 -5.113 17.019 1.116 1.00 0.00 H new ATOM 0 HA LYS A 25 -7.781 17.330 1.397 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -6.306 14.756 0.709 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -7.985 15.085 0.329 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -5.904 17.028 -0.633 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -6.039 15.482 -1.448 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -8.551 17.061 -0.927 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -7.487 17.580 -2.219 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -8.371 14.690 -2.002 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -9.398 15.887 -2.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -8.009 14.765 -4.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -7.595 16.410 -4.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -6.601 15.250 -3.566 1.00 0.00 H new ATOM 389 N GLY A 26 -6.667 15.226 3.645 1.00 0.00 N ATOM 390 CA GLY A 26 -7.041 14.513 4.852 1.00 0.00 C ATOM 391 C GLY A 26 -7.054 13.010 4.657 1.00 0.00 C ATOM 392 O GLY A 26 -7.307 12.257 5.598 1.00 0.00 O ATOM 0 H GLY A 26 -5.667 15.237 3.447 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -6.344 14.767 5.651 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -8.029 14.843 5.174 1.00 0.00 H new ATOM 396 N HIS A 27 -6.782 12.571 3.433 1.00 0.00 N ATOM 397 CA HIS A 27 -6.764 11.147 3.117 1.00 0.00 C ATOM 398 C HIS A 27 -5.388 10.546 3.393 1.00 0.00 C ATOM 399 O HIS A 27 -4.411 10.870 2.718 1.00 0.00 O ATOM 400 CB HIS A 27 -7.147 10.922 1.654 1.00 0.00 C ATOM 401 CG HIS A 27 -8.621 11.006 1.401 1.00 0.00 C ATOM 402 ND1 HIS A 27 -9.345 9.983 0.825 1.00 0.00 N ATOM 403 CD2 HIS A 27 -9.507 11.998 1.651 1.00 0.00 C ATOM 404 CE1 HIS A 27 -10.612 10.344 0.730 1.00 0.00 C ATOM 405 NE2 HIS A 27 -10.737 11.562 1.225 1.00 0.00 N ATOM 0 H HIS A 27 -6.571 13.181 2.643 1.00 0.00 H new ATOM 0 HA HIS A 27 -7.493 10.650 3.756 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -6.638 11.661 1.036 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -6.788 9.942 1.340 1.00 0.00 H new ATOM 0 HD1 HIS A 27 -8.962 9.088 0.520 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -9.287 12.955 2.102 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -11.410 9.745 0.318 1.00 0.00 H new ATOM 414 N VAL A 28 -5.320 9.670 4.391 1.00 0.00 N ATOM 415 CA VAL A 28 -4.065 9.025 4.756 1.00 0.00 C ATOM 416 C VAL A 28 -3.563 8.124 3.633 1.00 0.00 C ATOM 417 O VAL A 28 -4.292 7.262 3.141 1.00 0.00 O ATOM 418 CB VAL A 28 -4.217 8.188 6.040 1.00 0.00 C ATOM 419 CG1 VAL A 28 -2.958 7.374 6.300 1.00 0.00 C ATOM 420 CG2 VAL A 28 -4.534 9.087 7.226 1.00 0.00 C ATOM 0 H VAL A 28 -6.119 9.391 4.960 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.340 9.820 4.932 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.047 7.495 5.905 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -3.084 6.789 7.211 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.779 6.703 5.460 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.108 8.046 6.415 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.638 8.480 8.125 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.726 9.805 7.365 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.466 9.621 7.039 1.00 0.00 H new ATOM 430 N HIS A 29 -2.312 8.329 3.231 1.00 0.00 N ATOM 431 CA HIS A 29 -1.712 7.534 2.166 1.00 0.00 C ATOM 432 C HIS A 29 -0.574 6.673 2.706 1.00 0.00 C ATOM 433 O HIS A 29 0.174 7.097 3.587 1.00 0.00 O ATOM 434 CB HIS A 29 -1.193 8.445 1.052 1.00 0.00 C ATOM 435 CG HIS A 29 -2.278 9.165 0.313 1.00 0.00 C ATOM 436 ND1 HIS A 29 -3.603 9.126 0.695 1.00 0.00 N ATOM 437 CD2 HIS A 29 -2.229 9.947 -0.791 1.00 0.00 C ATOM 438 CE1 HIS A 29 -4.322 9.851 -0.143 1.00 0.00 C ATOM 439 NE2 HIS A 29 -3.512 10.361 -1.054 1.00 0.00 N ATOM 0 H HIS A 29 -1.695 9.038 3.627 1.00 0.00 H new ATOM 0 HA HIS A 29 -2.481 6.876 1.760 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -0.510 9.177 1.482 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -0.617 7.848 0.345 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -1.346 10.198 -1.359 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -5.390 10.001 -0.092 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -3.794 10.964 -1.827 1.00 0.00 H new ATOM 448 N TYR A 30 -0.451 5.462 2.173 1.00 0.00 N ATOM 449 CA TYR A 30 0.593 4.540 2.604 1.00 0.00 C ATOM 450 C TYR A 30 1.536 4.208 1.452 1.00 0.00 C ATOM 451 O TYR A 30 1.112 3.698 0.414 1.00 0.00 O ATOM 452 CB TYR A 30 -0.028 3.256 3.156 1.00 0.00 C ATOM 453 CG TYR A 30 -0.907 3.479 4.366 1.00 0.00 C ATOM 454 CD1 TYR A 30 -0.355 3.616 5.634 1.00 0.00 C ATOM 455 CD2 TYR A 30 -2.289 3.552 4.242 1.00 0.00 C ATOM 456 CE1 TYR A 30 -1.154 3.820 6.742 1.00 0.00 C ATOM 457 CE2 TYR A 30 -3.095 3.757 5.344 1.00 0.00 C ATOM 458 CZ TYR A 30 -2.523 3.890 6.592 1.00 0.00 C ATOM 459 OH TYR A 30 -3.323 4.093 7.693 1.00 0.00 O ATOM 0 H TYR A 30 -1.061 5.096 1.442 1.00 0.00 H new ATOM 0 HA TYR A 30 1.169 5.025 3.392 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -0.618 2.781 2.372 1.00 0.00 H new ATOM 0 HB3 TYR A 30 0.769 2.561 3.420 1.00 0.00 H new ATOM 0 HD1 TYR A 30 0.717 3.562 5.755 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -2.741 3.447 3.267 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -0.709 3.924 7.721 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -4.167 3.813 5.229 1.00 0.00 H new ATOM 0 HH TYR A 30 -2.828 4.604 8.367 1.00 0.00 H new ATOM 469 N LEU A 31 2.818 4.500 1.643 1.00 0.00 N ATOM 470 CA LEU A 31 3.824 4.232 0.621 1.00 0.00 C ATOM 471 C LEU A 31 3.946 2.735 0.355 1.00 0.00 C ATOM 472 O LEU A 31 4.766 2.051 0.969 1.00 0.00 O ATOM 473 CB LEU A 31 5.179 4.798 1.050 1.00 0.00 C ATOM 474 CG LEU A 31 6.336 4.582 0.075 1.00 0.00 C ATOM 475 CD1 LEU A 31 5.875 4.800 -1.358 1.00 0.00 C ATOM 476 CD2 LEU A 31 7.497 5.507 0.410 1.00 0.00 C ATOM 0 H LEU A 31 3.185 4.922 2.496 1.00 0.00 H new ATOM 0 HA LEU A 31 3.508 4.721 -0.301 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.066 5.869 1.217 1.00 0.00 H new ATOM 0 HB3 LEU A 31 5.449 4.353 2.008 1.00 0.00 H new ATOM 0 HG LEU A 31 6.679 3.552 0.172 1.00 0.00 H new ATOM 0 HD11 LEU A 31 6.712 4.642 -2.038 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.077 4.096 -1.595 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.504 5.819 -1.470 1.00 0.00 H new ATOM 0 HD21 LEU A 31 8.311 5.339 -0.295 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.167 6.544 0.343 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.845 5.302 1.422 1.00 0.00 H new ATOM 488 N ILE A 32 3.127 2.234 -0.563 1.00 0.00 N ATOM 489 CA ILE A 32 3.146 0.819 -0.912 1.00 0.00 C ATOM 490 C ILE A 32 4.324 0.493 -1.825 1.00 0.00 C ATOM 491 O ILE A 32 4.548 1.165 -2.832 1.00 0.00 O ATOM 492 CB ILE A 32 1.840 0.393 -1.607 1.00 0.00 C ATOM 493 CG1 ILE A 32 0.640 0.670 -0.699 1.00 0.00 C ATOM 494 CG2 ILE A 32 1.896 -1.080 -1.985 1.00 0.00 C ATOM 495 CD1 ILE A 32 -0.693 0.391 -1.358 1.00 0.00 C ATOM 0 H ILE A 32 2.442 2.787 -1.079 1.00 0.00 H new ATOM 0 HA ILE A 32 3.249 0.266 0.021 1.00 0.00 H new ATOM 0 HB ILE A 32 1.724 0.978 -2.520 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.726 0.060 0.200 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.668 1.712 -0.381 1.00 0.00 H new ATOM 0 HG21 ILE A 32 0.965 -1.365 -2.475 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.731 -1.250 -2.665 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.032 -1.681 -1.086 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -1.498 0.609 -0.657 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.801 1.020 -2.242 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.742 -0.658 -1.651 1.00 0.00 H new ATOM 507 N LYS A 33 5.074 -0.544 -1.466 1.00 0.00 N ATOM 508 CA LYS A 33 6.228 -0.962 -2.253 1.00 0.00 C ATOM 509 C LYS A 33 5.921 -2.237 -3.033 1.00 0.00 C ATOM 510 O LYS A 33 6.088 -3.344 -2.520 1.00 0.00 O ATOM 511 CB LYS A 33 7.437 -1.187 -1.343 1.00 0.00 C ATOM 512 CG LYS A 33 8.603 -1.868 -2.038 1.00 0.00 C ATOM 513 CD LYS A 33 9.716 -2.205 -1.060 1.00 0.00 C ATOM 514 CE LYS A 33 10.919 -2.807 -1.770 1.00 0.00 C ATOM 515 NZ LYS A 33 11.928 -3.329 -0.807 1.00 0.00 N ATOM 0 H LYS A 33 4.903 -1.110 -0.635 1.00 0.00 H new ATOM 0 HA LYS A 33 6.459 -0.169 -2.964 1.00 0.00 H new ATOM 0 HB2 LYS A 33 7.770 -0.226 -0.951 1.00 0.00 H new ATOM 0 HB3 LYS A 33 7.131 -1.791 -0.489 1.00 0.00 H new ATOM 0 HG2 LYS A 33 8.256 -2.780 -2.524 1.00 0.00 H new ATOM 0 HG3 LYS A 33 8.991 -1.217 -2.822 1.00 0.00 H new ATOM 0 HD2 LYS A 33 10.020 -1.303 -0.528 1.00 0.00 H new ATOM 0 HD3 LYS A 33 9.345 -2.906 -0.313 1.00 0.00 H new ATOM 0 HE2 LYS A 33 10.588 -3.615 -2.423 1.00 0.00 H new ATOM 0 HE3 LYS A 33 11.381 -2.052 -2.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 12.732 -3.731 -1.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 12.263 -2.553 -0.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 11.495 -4.068 -0.217 1.00 0.00 H new ATOM 529 N TRP A 34 5.473 -2.074 -4.272 1.00 0.00 N ATOM 530 CA TRP A 34 5.145 -3.213 -5.122 1.00 0.00 C ATOM 531 C TRP A 34 6.280 -4.231 -5.130 1.00 0.00 C ATOM 532 O TRP A 34 7.310 -4.021 -5.772 1.00 0.00 O ATOM 533 CB TRP A 34 4.854 -2.743 -6.549 1.00 0.00 C ATOM 534 CG TRP A 34 3.805 -1.675 -6.621 1.00 0.00 C ATOM 535 CD1 TRP A 34 3.963 -0.402 -7.088 1.00 0.00 C ATOM 536 CD2 TRP A 34 2.439 -1.788 -6.210 1.00 0.00 C ATOM 537 NE1 TRP A 34 2.776 0.284 -6.993 1.00 0.00 N ATOM 538 CE2 TRP A 34 1.825 -0.544 -6.458 1.00 0.00 C ATOM 539 CE3 TRP A 34 1.672 -2.818 -5.658 1.00 0.00 C ATOM 540 CZ2 TRP A 34 0.484 -0.306 -6.172 1.00 0.00 C ATOM 541 CZ3 TRP A 34 0.341 -2.580 -5.375 1.00 0.00 C ATOM 542 CH2 TRP A 34 -0.243 -1.332 -5.633 1.00 0.00 C ATOM 0 H TRP A 34 5.328 -1.165 -4.711 1.00 0.00 H new ATOM 0 HA TRP A 34 4.255 -3.693 -4.716 1.00 0.00 H new ATOM 0 HB2 TRP A 34 5.775 -2.368 -6.995 1.00 0.00 H new ATOM 0 HB3 TRP A 34 4.535 -3.597 -7.147 1.00 0.00 H new ATOM 0 HD1 TRP A 34 4.885 0.006 -7.475 1.00 0.00 H new ATOM 0 HE1 TRP A 34 2.627 1.253 -7.275 1.00 0.00 H new ATOM 0 HE3 TRP A 34 2.112 -3.783 -5.456 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 0.033 0.655 -6.369 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -0.260 -3.369 -4.948 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -1.287 -1.178 -5.402 1.00 0.00 H new ATOM 553 N ARG A 35 6.085 -5.334 -4.414 1.00 0.00 N ATOM 554 CA ARG A 35 7.093 -6.384 -4.339 1.00 0.00 C ATOM 555 C ARG A 35 7.841 -6.515 -5.662 1.00 0.00 C ATOM 556 O ARG A 35 9.062 -6.363 -5.714 1.00 0.00 O ATOM 557 CB ARG A 35 6.442 -7.719 -3.974 1.00 0.00 C ATOM 558 CG ARG A 35 6.066 -7.833 -2.506 1.00 0.00 C ATOM 559 CD ARG A 35 5.840 -9.280 -2.098 1.00 0.00 C ATOM 560 NE ARG A 35 7.096 -9.984 -1.858 1.00 0.00 N ATOM 561 CZ ARG A 35 7.166 -11.261 -1.498 1.00 0.00 C ATOM 562 NH1 ARG A 35 6.058 -11.970 -1.339 1.00 0.00 N ATOM 563 NH2 ARG A 35 8.348 -11.831 -1.299 1.00 0.00 N ATOM 0 H ARG A 35 5.238 -5.523 -3.878 1.00 0.00 H new ATOM 0 HA ARG A 35 7.808 -6.112 -3.563 1.00 0.00 H new ATOM 0 HB2 ARG A 35 5.547 -7.855 -4.581 1.00 0.00 H new ATOM 0 HB3 ARG A 35 7.126 -8.529 -4.229 1.00 0.00 H new ATOM 0 HG2 ARG A 35 6.856 -7.400 -1.893 1.00 0.00 H new ATOM 0 HG3 ARG A 35 5.162 -7.255 -2.315 1.00 0.00 H new ATOM 0 HD2 ARG A 35 5.229 -9.311 -1.196 1.00 0.00 H new ATOM 0 HD3 ARG A 35 5.280 -9.794 -2.880 1.00 0.00 H new ATOM 0 HE ARG A 35 7.968 -9.467 -1.973 1.00 0.00 H new ATOM 0 HH11 ARG A 35 5.148 -11.536 -1.493 1.00 0.00 H new ATOM 0 HH12 ARG A 35 6.115 -12.950 -1.063 1.00 0.00 H new ATOM 0 HH21 ARG A 35 9.203 -11.289 -1.422 1.00 0.00 H new ATOM 0 HH22 ARG A 35 8.401 -12.811 -1.023 1.00 0.00 H new ATOM 577 N ASP A 36 7.102 -6.799 -6.728 1.00 0.00 N ATOM 578 CA ASP A 36 7.695 -6.950 -8.052 1.00 0.00 C ATOM 579 C ASP A 36 8.665 -5.811 -8.346 1.00 0.00 C ATOM 580 O ASP A 36 9.835 -6.041 -8.657 1.00 0.00 O ATOM 581 CB ASP A 36 6.603 -6.996 -9.121 1.00 0.00 C ATOM 582 CG ASP A 36 5.857 -8.315 -9.132 1.00 0.00 C ATOM 583 OD1 ASP A 36 5.750 -8.945 -8.058 1.00 0.00 O ATOM 584 OD2 ASP A 36 5.378 -8.718 -10.213 1.00 0.00 O ATOM 0 H ASP A 36 6.091 -6.929 -6.702 1.00 0.00 H new ATOM 0 HA ASP A 36 8.249 -7.888 -8.070 1.00 0.00 H new ATOM 0 HB2 ASP A 36 5.896 -6.184 -8.949 1.00 0.00 H new ATOM 0 HB3 ASP A 36 7.051 -6.827 -10.100 1.00 0.00 H new ATOM 589 N LEU A 37 8.173 -4.581 -8.247 1.00 0.00 N ATOM 590 CA LEU A 37 8.996 -3.404 -8.504 1.00 0.00 C ATOM 591 C LEU A 37 9.956 -3.148 -7.346 1.00 0.00 C ATOM 592 O LEU A 37 9.690 -3.502 -6.197 1.00 0.00 O ATOM 593 CB LEU A 37 8.111 -2.177 -8.728 1.00 0.00 C ATOM 594 CG LEU A 37 7.122 -2.267 -9.891 1.00 0.00 C ATOM 595 CD1 LEU A 37 6.290 -0.997 -9.983 1.00 0.00 C ATOM 596 CD2 LEU A 37 7.857 -2.521 -11.198 1.00 0.00 C ATOM 0 H LEU A 37 7.208 -4.373 -7.991 1.00 0.00 H new ATOM 0 HA LEU A 37 9.582 -3.590 -9.404 1.00 0.00 H new ATOM 0 HB2 LEU A 37 7.549 -1.987 -7.813 1.00 0.00 H new ATOM 0 HB3 LEU A 37 8.756 -1.314 -8.891 1.00 0.00 H new ATOM 0 HG LEU A 37 6.450 -3.105 -9.707 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.592 -1.079 -10.816 1.00 0.00 H new ATOM 0 HD12 LEU A 37 5.734 -0.858 -9.056 1.00 0.00 H new ATOM 0 HD13 LEU A 37 6.947 -0.142 -10.143 1.00 0.00 H new ATOM 0 HD21 LEU A 37 7.137 -2.582 -12.014 1.00 0.00 H new ATOM 0 HD22 LEU A 37 8.553 -1.704 -11.389 1.00 0.00 H new ATOM 0 HD23 LEU A 37 8.408 -3.459 -11.129 1.00 0.00 H new ATOM 608 N PRO A 38 11.098 -2.516 -7.653 1.00 0.00 N ATOM 609 CA PRO A 38 12.119 -2.195 -6.651 1.00 0.00 C ATOM 610 C PRO A 38 11.662 -1.108 -5.684 1.00 0.00 C ATOM 611 O PRO A 38 10.493 -0.720 -5.679 1.00 0.00 O ATOM 612 CB PRO A 38 13.299 -1.702 -7.492 1.00 0.00 C ATOM 613 CG PRO A 38 12.681 -1.195 -8.750 1.00 0.00 C ATOM 614 CD PRO A 38 11.481 -2.064 -9.001 1.00 0.00 C ATOM 0 HA PRO A 38 12.356 -3.053 -6.022 1.00 0.00 H new ATOM 0 HB2 PRO A 38 13.851 -0.916 -6.977 1.00 0.00 H new ATOM 0 HB3 PRO A 38 14.005 -2.507 -7.694 1.00 0.00 H new ATOM 0 HG2 PRO A 38 12.391 -0.149 -8.648 1.00 0.00 H new ATOM 0 HG3 PRO A 38 13.384 -1.252 -9.581 1.00 0.00 H new ATOM 0 HD2 PRO A 38 10.676 -1.508 -9.482 1.00 0.00 H new ATOM 0 HD3 PRO A 38 11.722 -2.904 -9.653 1.00 0.00 H new ATOM 622 N TYR A 39 12.590 -0.619 -4.869 1.00 0.00 N ATOM 623 CA TYR A 39 12.281 0.422 -3.897 1.00 0.00 C ATOM 624 C TYR A 39 12.247 1.795 -4.562 1.00 0.00 C ATOM 625 O TYR A 39 11.531 2.694 -4.119 1.00 0.00 O ATOM 626 CB TYR A 39 13.312 0.416 -2.767 1.00 0.00 C ATOM 627 CG TYR A 39 13.029 1.432 -1.683 1.00 0.00 C ATOM 628 CD1 TYR A 39 11.939 1.285 -0.834 1.00 0.00 C ATOM 629 CD2 TYR A 39 13.850 2.539 -1.509 1.00 0.00 C ATOM 630 CE1 TYR A 39 11.676 2.211 0.157 1.00 0.00 C ATOM 631 CE2 TYR A 39 13.595 3.469 -0.520 1.00 0.00 C ATOM 632 CZ TYR A 39 12.507 3.301 0.311 1.00 0.00 C ATOM 633 OH TYR A 39 12.249 4.226 1.296 1.00 0.00 O ATOM 0 H TYR A 39 13.562 -0.927 -4.862 1.00 0.00 H new ATOM 0 HA TYR A 39 11.295 0.215 -3.481 1.00 0.00 H new ATOM 0 HB2 TYR A 39 13.345 -0.578 -2.322 1.00 0.00 H new ATOM 0 HB3 TYR A 39 14.299 0.610 -3.186 1.00 0.00 H new ATOM 0 HD1 TYR A 39 11.286 0.432 -0.951 1.00 0.00 H new ATOM 0 HD2 TYR A 39 14.702 2.675 -2.158 1.00 0.00 H new ATOM 0 HE1 TYR A 39 10.824 2.082 0.808 1.00 0.00 H new ATOM 0 HE2 TYR A 39 14.244 4.323 -0.398 1.00 0.00 H new ATOM 0 HH TYR A 39 12.930 4.930 1.270 1.00 0.00 H new ATOM 643 N ASP A 40 13.025 1.948 -5.628 1.00 0.00 N ATOM 644 CA ASP A 40 13.083 3.210 -6.356 1.00 0.00 C ATOM 645 C ASP A 40 11.884 3.356 -7.288 1.00 0.00 C ATOM 646 O ASP A 40 11.700 4.396 -7.919 1.00 0.00 O ATOM 647 CB ASP A 40 14.382 3.300 -7.159 1.00 0.00 C ATOM 648 CG ASP A 40 15.575 3.655 -6.293 1.00 0.00 C ATOM 649 OD1 ASP A 40 15.792 4.860 -6.048 1.00 0.00 O ATOM 650 OD2 ASP A 40 16.291 2.728 -5.861 1.00 0.00 O ATOM 0 H ASP A 40 13.624 1.214 -6.007 1.00 0.00 H new ATOM 0 HA ASP A 40 13.056 4.022 -5.629 1.00 0.00 H new ATOM 0 HB2 ASP A 40 14.567 2.346 -7.654 1.00 0.00 H new ATOM 0 HB3 ASP A 40 14.270 4.049 -7.943 1.00 0.00 H new ATOM 655 N GLN A 41 11.073 2.306 -7.368 1.00 0.00 N ATOM 656 CA GLN A 41 9.892 2.318 -8.224 1.00 0.00 C ATOM 657 C GLN A 41 8.618 2.423 -7.393 1.00 0.00 C ATOM 658 O GLN A 41 7.531 2.632 -7.930 1.00 0.00 O ATOM 659 CB GLN A 41 9.849 1.055 -9.087 1.00 0.00 C ATOM 660 CG GLN A 41 10.587 1.196 -10.408 1.00 0.00 C ATOM 661 CD GLN A 41 10.054 0.262 -11.477 1.00 0.00 C ATOM 662 OE1 GLN A 41 8.859 0.254 -11.771 1.00 0.00 O ATOM 663 NE2 GLN A 41 10.941 -0.533 -12.065 1.00 0.00 N ATOM 0 H GLN A 41 11.212 1.437 -6.851 1.00 0.00 H new ATOM 0 HA GLN A 41 9.954 3.192 -8.873 1.00 0.00 H new ATOM 0 HB2 GLN A 41 10.281 0.226 -8.526 1.00 0.00 H new ATOM 0 HB3 GLN A 41 8.809 0.797 -9.287 1.00 0.00 H new ATOM 0 HG2 GLN A 41 10.506 2.225 -10.757 1.00 0.00 H new ATOM 0 HG3 GLN A 41 11.647 0.995 -10.251 1.00 0.00 H new ATOM 0 HE21 GLN A 41 11.922 -0.493 -11.790 1.00 0.00 H new ATOM 0 HE22 GLN A 41 10.641 -1.183 -12.791 1.00 0.00 H new ATOM 672 N ALA A 42 8.760 2.277 -6.080 1.00 0.00 N ATOM 673 CA ALA A 42 7.621 2.357 -5.174 1.00 0.00 C ATOM 674 C ALA A 42 6.725 3.541 -5.523 1.00 0.00 C ATOM 675 O ALA A 42 7.200 4.573 -5.996 1.00 0.00 O ATOM 676 CB ALA A 42 8.098 2.461 -3.733 1.00 0.00 C ATOM 0 H ALA A 42 9.653 2.103 -5.620 1.00 0.00 H new ATOM 0 HA ALA A 42 7.035 1.445 -5.286 1.00 0.00 H new ATOM 0 HB1 ALA A 42 7.236 2.520 -3.068 1.00 0.00 H new ATOM 0 HB2 ALA A 42 8.691 1.582 -3.482 1.00 0.00 H new ATOM 0 HB3 ALA A 42 8.709 3.356 -3.616 1.00 0.00 H new ATOM 682 N SER A 43 5.426 3.384 -5.287 1.00 0.00 N ATOM 683 CA SER A 43 4.463 4.439 -5.580 1.00 0.00 C ATOM 684 C SER A 43 3.585 4.726 -4.366 1.00 0.00 C ATOM 685 O SER A 43 3.234 3.818 -3.612 1.00 0.00 O ATOM 686 CB SER A 43 3.591 4.044 -6.773 1.00 0.00 C ATOM 687 OG SER A 43 3.056 5.188 -7.415 1.00 0.00 O ATOM 0 H SER A 43 5.017 2.537 -4.894 1.00 0.00 H new ATOM 0 HA SER A 43 5.017 5.345 -5.827 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.182 3.467 -7.484 1.00 0.00 H new ATOM 0 HB3 SER A 43 2.779 3.399 -6.436 1.00 0.00 H new ATOM 0 HG SER A 43 2.504 4.908 -8.175 1.00 0.00 H new ATOM 693 N TRP A 44 3.234 5.994 -4.185 1.00 0.00 N ATOM 694 CA TRP A 44 2.396 6.401 -3.062 1.00 0.00 C ATOM 695 C TRP A 44 0.929 6.089 -3.336 1.00 0.00 C ATOM 696 O TRP A 44 0.352 6.578 -4.306 1.00 0.00 O ATOM 697 CB TRP A 44 2.569 7.896 -2.787 1.00 0.00 C ATOM 698 CG TRP A 44 3.670 8.198 -1.816 1.00 0.00 C ATOM 699 CD1 TRP A 44 4.905 8.704 -2.108 1.00 0.00 C ATOM 700 CD2 TRP A 44 3.637 8.011 -0.397 1.00 0.00 C ATOM 701 NE1 TRP A 44 5.640 8.843 -0.956 1.00 0.00 N ATOM 702 CE2 TRP A 44 4.885 8.425 0.107 1.00 0.00 C ATOM 703 CE3 TRP A 44 2.673 7.535 0.496 1.00 0.00 C ATOM 704 CZ2 TRP A 44 5.192 8.376 1.464 1.00 0.00 C ATOM 705 CZ3 TRP A 44 2.980 7.487 1.843 1.00 0.00 C ATOM 706 CH2 TRP A 44 4.230 7.906 2.317 1.00 0.00 C ATOM 0 H TRP A 44 3.516 6.757 -4.800 1.00 0.00 H new ATOM 0 HA TRP A 44 2.710 5.837 -2.183 1.00 0.00 H new ATOM 0 HB2 TRP A 44 2.772 8.410 -3.727 1.00 0.00 H new ATOM 0 HB3 TRP A 44 1.633 8.298 -2.400 1.00 0.00 H new ATOM 0 HD1 TRP A 44 5.252 8.957 -3.099 1.00 0.00 H new ATOM 0 HE1 TRP A 44 6.594 9.200 -0.901 1.00 0.00 H new ATOM 0 HE3 TRP A 44 1.706 7.211 0.140 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 6.156 8.698 1.831 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 2.243 7.120 2.542 1.00 0.00 H new ATOM 0 HH2 TRP A 44 4.439 7.857 3.376 1.00 0.00 H new ATOM 717 N GLU A 45 0.332 5.271 -2.474 1.00 0.00 N ATOM 718 CA GLU A 45 -1.068 4.893 -2.625 1.00 0.00 C ATOM 719 C GLU A 45 -1.884 5.336 -1.415 1.00 0.00 C ATOM 720 O GLU A 45 -1.390 5.342 -0.287 1.00 0.00 O ATOM 721 CB GLU A 45 -1.194 3.380 -2.813 1.00 0.00 C ATOM 722 CG GLU A 45 -0.519 2.865 -4.073 1.00 0.00 C ATOM 723 CD GLU A 45 -1.273 3.241 -5.334 1.00 0.00 C ATOM 724 OE1 GLU A 45 -2.003 4.254 -5.310 1.00 0.00 O ATOM 725 OE2 GLU A 45 -1.132 2.522 -6.345 1.00 0.00 O ATOM 0 H GLU A 45 0.796 4.858 -1.665 1.00 0.00 H new ATOM 0 HA GLU A 45 -1.460 5.395 -3.510 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.761 2.878 -1.948 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -2.250 3.113 -2.842 1.00 0.00 H new ATOM 0 HG2 GLU A 45 0.494 3.264 -4.127 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -0.432 1.780 -4.016 1.00 0.00 H new ATOM 732 N SER A 46 -3.137 5.708 -1.657 1.00 0.00 N ATOM 733 CA SER A 46 -4.022 6.157 -0.588 1.00 0.00 C ATOM 734 C SER A 46 -4.441 4.988 0.297 1.00 0.00 C ATOM 735 O SER A 46 -4.046 3.846 0.064 1.00 0.00 O ATOM 736 CB SER A 46 -5.260 6.837 -1.175 1.00 0.00 C ATOM 737 OG SER A 46 -6.343 5.928 -1.273 1.00 0.00 O ATOM 0 H SER A 46 -3.562 5.707 -2.584 1.00 0.00 H new ATOM 0 HA SER A 46 -3.477 6.876 0.024 1.00 0.00 H new ATOM 0 HB2 SER A 46 -5.546 7.682 -0.549 1.00 0.00 H new ATOM 0 HB3 SER A 46 -5.026 7.236 -2.162 1.00 0.00 H new ATOM 0 HG SER A 46 -7.123 6.387 -1.649 1.00 0.00 H new ATOM 743 N GLU A 47 -5.245 5.282 1.315 1.00 0.00 N ATOM 744 CA GLU A 47 -5.717 4.255 2.236 1.00 0.00 C ATOM 745 C GLU A 47 -7.030 3.649 1.748 1.00 0.00 C ATOM 746 O GLU A 47 -7.544 2.698 2.337 1.00 0.00 O ATOM 747 CB GLU A 47 -5.903 4.842 3.637 1.00 0.00 C ATOM 748 CG GLU A 47 -6.874 6.010 3.684 1.00 0.00 C ATOM 749 CD GLU A 47 -7.168 6.468 5.099 1.00 0.00 C ATOM 750 OE1 GLU A 47 -6.652 5.838 6.046 1.00 0.00 O ATOM 751 OE2 GLU A 47 -7.914 7.456 5.259 1.00 0.00 O ATOM 0 H GLU A 47 -5.582 6.222 1.522 1.00 0.00 H new ATOM 0 HA GLU A 47 -4.966 3.466 2.277 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -6.258 4.058 4.306 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -4.935 5.170 4.016 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -6.462 6.843 3.115 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -7.806 5.722 3.198 1.00 0.00 H new ATOM 758 N ASP A 48 -7.568 4.207 0.669 1.00 0.00 N ATOM 759 CA ASP A 48 -8.820 3.723 0.101 1.00 0.00 C ATOM 760 C ASP A 48 -8.564 2.611 -0.911 1.00 0.00 C ATOM 761 O ASP A 48 -9.421 1.758 -1.144 1.00 0.00 O ATOM 762 CB ASP A 48 -9.581 4.871 -0.565 1.00 0.00 C ATOM 763 CG ASP A 48 -9.777 6.052 0.365 1.00 0.00 C ATOM 764 OD1 ASP A 48 -10.432 5.878 1.414 1.00 0.00 O ATOM 765 OD2 ASP A 48 -9.277 7.150 0.044 1.00 0.00 O ATOM 0 H ASP A 48 -7.156 4.995 0.170 1.00 0.00 H new ATOM 0 HA ASP A 48 -9.426 3.319 0.912 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -9.038 5.197 -1.452 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -10.554 4.512 -0.901 1.00 0.00 H new ATOM 770 N VAL A 49 -7.378 2.627 -1.512 1.00 0.00 N ATOM 771 CA VAL A 49 -7.008 1.621 -2.500 1.00 0.00 C ATOM 772 C VAL A 49 -7.248 0.213 -1.967 1.00 0.00 C ATOM 773 O VAL A 49 -6.966 -0.077 -0.805 1.00 0.00 O ATOM 774 CB VAL A 49 -5.531 1.757 -2.913 1.00 0.00 C ATOM 775 CG1 VAL A 49 -5.354 2.902 -3.899 1.00 0.00 C ATOM 776 CG2 VAL A 49 -4.651 1.957 -1.688 1.00 0.00 C ATOM 0 H VAL A 49 -6.657 3.326 -1.332 1.00 0.00 H new ATOM 0 HA VAL A 49 -7.638 1.788 -3.373 1.00 0.00 H new ATOM 0 HB VAL A 49 -5.224 0.835 -3.406 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -4.304 2.982 -4.179 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -5.953 2.711 -4.789 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -5.678 3.834 -3.436 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -3.611 2.051 -1.999 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -4.957 2.863 -1.164 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -4.755 1.100 -1.022 1.00 0.00 H new ATOM 786 N GLU A 50 -7.769 -0.658 -2.825 1.00 0.00 N ATOM 787 CA GLU A 50 -8.047 -2.037 -2.439 1.00 0.00 C ATOM 788 C GLU A 50 -7.006 -2.986 -3.024 1.00 0.00 C ATOM 789 O GLU A 50 -6.993 -3.245 -4.228 1.00 0.00 O ATOM 790 CB GLU A 50 -9.446 -2.448 -2.904 1.00 0.00 C ATOM 791 CG GLU A 50 -9.611 -2.445 -4.415 1.00 0.00 C ATOM 792 CD GLU A 50 -11.065 -2.418 -4.843 1.00 0.00 C ATOM 793 OE1 GLU A 50 -11.817 -3.334 -4.449 1.00 0.00 O ATOM 794 OE2 GLU A 50 -11.451 -1.481 -5.573 1.00 0.00 O ATOM 0 H GLU A 50 -8.007 -0.434 -3.791 1.00 0.00 H new ATOM 0 HA GLU A 50 -8.000 -2.099 -1.352 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -9.667 -3.446 -2.525 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -10.179 -1.771 -2.466 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -9.098 -1.578 -4.831 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -9.130 -3.330 -4.831 1.00 0.00 H new ATOM 801 N ILE A 51 -6.134 -3.501 -2.163 1.00 0.00 N ATOM 802 CA ILE A 51 -5.089 -4.422 -2.593 1.00 0.00 C ATOM 803 C ILE A 51 -5.088 -5.688 -1.744 1.00 0.00 C ATOM 804 O ILE A 51 -5.653 -5.714 -0.651 1.00 0.00 O ATOM 805 CB ILE A 51 -3.697 -3.767 -2.521 1.00 0.00 C ATOM 806 CG1 ILE A 51 -3.713 -2.404 -3.216 1.00 0.00 C ATOM 807 CG2 ILE A 51 -2.651 -4.675 -3.149 1.00 0.00 C ATOM 808 CD1 ILE A 51 -2.728 -1.416 -2.632 1.00 0.00 C ATOM 0 H ILE A 51 -6.131 -3.296 -1.164 1.00 0.00 H new ATOM 0 HA ILE A 51 -5.305 -4.683 -3.629 1.00 0.00 H new ATOM 0 HB ILE A 51 -3.437 -3.616 -1.473 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -3.492 -2.542 -4.274 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -4.717 -1.985 -3.152 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.673 -4.198 -3.090 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -2.625 -5.624 -2.614 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -2.905 -4.855 -4.194 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -2.795 -0.472 -3.174 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -2.961 -1.248 -1.581 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -1.717 -1.814 -2.720 1.00 0.00 H new ATOM 820 N GLN A 52 -4.448 -6.735 -2.254 1.00 0.00 N ATOM 821 CA GLN A 52 -4.372 -8.005 -1.541 1.00 0.00 C ATOM 822 C GLN A 52 -3.961 -7.790 -0.088 1.00 0.00 C ATOM 823 O GLN A 52 -2.968 -7.118 0.193 1.00 0.00 O ATOM 824 CB GLN A 52 -3.381 -8.943 -2.230 1.00 0.00 C ATOM 825 CG GLN A 52 -3.713 -10.416 -2.054 1.00 0.00 C ATOM 826 CD GLN A 52 -2.516 -11.317 -2.290 1.00 0.00 C ATOM 827 OE1 GLN A 52 -1.407 -10.842 -2.538 1.00 0.00 O ATOM 828 NE2 GLN A 52 -2.735 -12.624 -2.213 1.00 0.00 N ATOM 0 H GLN A 52 -3.975 -6.729 -3.158 1.00 0.00 H new ATOM 0 HA GLN A 52 -5.362 -8.460 -1.556 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -3.353 -8.710 -3.294 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -2.382 -8.755 -1.837 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -4.094 -10.581 -1.046 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -4.511 -10.690 -2.745 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -3.671 -12.973 -2.005 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -1.968 -13.279 -2.362 1.00 0.00 H new ATOM 837 N ASP A 53 -4.730 -8.363 0.831 1.00 0.00 N ATOM 838 CA ASP A 53 -4.445 -8.235 2.255 1.00 0.00 C ATOM 839 C ASP A 53 -3.908 -6.844 2.579 1.00 0.00 C ATOM 840 O ASP A 53 -2.985 -6.695 3.380 1.00 0.00 O ATOM 841 CB ASP A 53 -3.437 -9.299 2.693 1.00 0.00 C ATOM 842 CG ASP A 53 -3.987 -10.706 2.561 1.00 0.00 C ATOM 843 OD1 ASP A 53 -5.060 -10.980 3.138 1.00 0.00 O ATOM 844 OD2 ASP A 53 -3.344 -11.532 1.881 1.00 0.00 O ATOM 0 H ASP A 53 -5.556 -8.921 0.615 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.377 -8.382 2.801 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -2.532 -9.208 2.092 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -3.151 -9.120 3.729 1.00 0.00 H new ATOM 849 N TYR A 54 -4.490 -5.830 1.949 1.00 0.00 N ATOM 850 CA TYR A 54 -4.068 -4.451 2.168 1.00 0.00 C ATOM 851 C TYR A 54 -4.416 -3.992 3.580 1.00 0.00 C ATOM 852 O TYR A 54 -3.637 -3.292 4.227 1.00 0.00 O ATOM 853 CB TYR A 54 -4.725 -3.526 1.142 1.00 0.00 C ATOM 854 CG TYR A 54 -4.197 -2.110 1.178 1.00 0.00 C ATOM 855 CD1 TYR A 54 -2.844 -1.857 1.367 1.00 0.00 C ATOM 856 CD2 TYR A 54 -5.051 -1.025 1.020 1.00 0.00 C ATOM 857 CE1 TYR A 54 -2.357 -0.564 1.402 1.00 0.00 C ATOM 858 CE2 TYR A 54 -4.573 0.271 1.052 1.00 0.00 C ATOM 859 CZ TYR A 54 -3.225 0.496 1.243 1.00 0.00 C ATOM 860 OH TYR A 54 -2.744 1.785 1.275 1.00 0.00 O ATOM 0 H TYR A 54 -5.255 -5.936 1.283 1.00 0.00 H new ATOM 0 HA TYR A 54 -2.986 -4.406 2.048 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -4.571 -3.937 0.144 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -5.801 -3.508 1.317 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -2.161 -2.685 1.489 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -6.106 -1.198 0.870 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -1.303 -0.385 1.553 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -5.250 1.103 0.928 1.00 0.00 H new ATOM 0 HH TYR A 54 -3.303 2.357 0.708 1.00 0.00 H new ATOM 870 N ASP A 55 -5.592 -4.391 4.052 1.00 0.00 N ATOM 871 CA ASP A 55 -6.045 -4.023 5.388 1.00 0.00 C ATOM 872 C ASP A 55 -5.107 -4.582 6.453 1.00 0.00 C ATOM 873 O ASP A 55 -4.860 -3.943 7.476 1.00 0.00 O ATOM 874 CB ASP A 55 -7.467 -4.531 5.626 1.00 0.00 C ATOM 875 CG ASP A 55 -8.511 -3.680 4.930 1.00 0.00 C ATOM 876 OD1 ASP A 55 -8.364 -3.438 3.713 1.00 0.00 O ATOM 877 OD2 ASP A 55 -9.474 -3.255 5.601 1.00 0.00 O ATOM 0 H ASP A 55 -6.249 -4.970 3.529 1.00 0.00 H new ATOM 0 HA ASP A 55 -6.040 -2.935 5.459 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -7.546 -5.559 5.272 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -7.670 -4.546 6.697 1.00 0.00 H new ATOM 882 N LEU A 56 -4.587 -5.780 6.206 1.00 0.00 N ATOM 883 CA LEU A 56 -3.677 -6.427 7.144 1.00 0.00 C ATOM 884 C LEU A 56 -2.398 -5.613 7.311 1.00 0.00 C ATOM 885 O LEU A 56 -2.010 -5.269 8.428 1.00 0.00 O ATOM 886 CB LEU A 56 -3.337 -7.839 6.664 1.00 0.00 C ATOM 887 CG LEU A 56 -4.489 -8.844 6.664 1.00 0.00 C ATOM 888 CD1 LEU A 56 -3.967 -10.255 6.443 1.00 0.00 C ATOM 889 CD2 LEU A 56 -5.270 -8.760 7.968 1.00 0.00 C ATOM 0 H LEU A 56 -4.780 -6.322 5.364 1.00 0.00 H new ATOM 0 HA LEU A 56 -4.176 -6.489 8.111 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -2.941 -7.771 5.651 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -2.538 -8.232 7.293 1.00 0.00 H new ATOM 0 HG LEU A 56 -5.162 -8.596 5.844 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -4.801 -10.956 6.446 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -3.453 -10.307 5.483 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -3.272 -10.515 7.241 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -6.086 -9.482 7.950 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.607 -8.982 8.804 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -5.677 -7.756 8.084 1.00 0.00 H new ATOM 901 N PHE A 57 -1.748 -5.306 6.194 1.00 0.00 N ATOM 902 CA PHE A 57 -0.513 -4.530 6.216 1.00 0.00 C ATOM 903 C PHE A 57 -0.699 -3.233 6.999 1.00 0.00 C ATOM 904 O PHE A 57 0.056 -2.940 7.926 1.00 0.00 O ATOM 905 CB PHE A 57 -0.057 -4.217 4.789 1.00 0.00 C ATOM 906 CG PHE A 57 0.757 -5.315 4.166 1.00 0.00 C ATOM 907 CD1 PHE A 57 0.184 -6.545 3.885 1.00 0.00 C ATOM 908 CD2 PHE A 57 2.094 -5.117 3.861 1.00 0.00 C ATOM 909 CE1 PHE A 57 0.930 -7.557 3.310 1.00 0.00 C ATOM 910 CE2 PHE A 57 2.844 -6.125 3.286 1.00 0.00 C ATOM 911 CZ PHE A 57 2.262 -7.347 3.011 1.00 0.00 C ATOM 0 H PHE A 57 -2.056 -5.583 5.262 1.00 0.00 H new ATOM 0 HA PHE A 57 0.253 -5.126 6.712 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -0.933 -4.029 4.169 1.00 0.00 H new ATOM 0 HB3 PHE A 57 0.531 -3.299 4.797 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -0.857 -6.715 4.118 1.00 0.00 H new ATOM 0 HD2 PHE A 57 2.555 -4.164 4.075 1.00 0.00 H new ATOM 0 HE1 PHE A 57 0.472 -8.511 3.095 1.00 0.00 H new ATOM 0 HE2 PHE A 57 3.885 -5.957 3.052 1.00 0.00 H new ATOM 0 HZ PHE A 57 2.847 -8.137 2.563 1.00 0.00 H new ATOM 921 N LYS A 58 -1.710 -2.460 6.618 1.00 0.00 N ATOM 922 CA LYS A 58 -1.998 -1.194 7.283 1.00 0.00 C ATOM 923 C LYS A 58 -2.161 -1.394 8.786 1.00 0.00 C ATOM 924 O LYS A 58 -1.647 -0.610 9.584 1.00 0.00 O ATOM 925 CB LYS A 58 -3.266 -0.566 6.701 1.00 0.00 C ATOM 926 CG LYS A 58 -3.243 -0.440 5.187 1.00 0.00 C ATOM 927 CD LYS A 58 -4.642 -0.527 4.599 1.00 0.00 C ATOM 928 CE LYS A 58 -5.275 0.849 4.462 1.00 0.00 C ATOM 929 NZ LYS A 58 -6.756 0.795 4.611 1.00 0.00 N ATOM 0 H LYS A 58 -2.344 -2.688 5.852 1.00 0.00 H new ATOM 0 HA LYS A 58 -1.156 -0.523 7.113 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -4.127 -1.167 6.994 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -3.405 0.423 7.137 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.788 0.510 4.907 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.620 -1.229 4.765 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -4.598 -1.007 3.622 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -5.267 -1.155 5.235 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -4.858 1.517 5.216 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -5.023 1.270 3.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -7.200 1.397 3.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -7.081 -0.186 4.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -7.022 1.136 5.557 1.00 0.00 H new ATOM 943 N GLN A 59 -2.877 -2.448 9.164 1.00 0.00 N ATOM 944 CA GLN A 59 -3.106 -2.750 10.572 1.00 0.00 C ATOM 945 C GLN A 59 -1.799 -3.112 11.271 1.00 0.00 C ATOM 946 O GLN A 59 -1.533 -2.661 12.385 1.00 0.00 O ATOM 947 CB GLN A 59 -4.108 -3.897 10.713 1.00 0.00 C ATOM 948 CG GLN A 59 -4.322 -4.344 12.150 1.00 0.00 C ATOM 949 CD GLN A 59 -5.060 -3.312 12.979 1.00 0.00 C ATOM 950 OE1 GLN A 59 -4.531 -2.238 13.268 1.00 0.00 O ATOM 951 NE2 GLN A 59 -6.289 -3.632 13.368 1.00 0.00 N ATOM 0 H GLN A 59 -3.308 -3.107 8.515 1.00 0.00 H new ATOM 0 HA GLN A 59 -3.516 -1.858 11.047 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -5.064 -3.587 10.291 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -3.761 -4.746 10.125 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -4.884 -5.278 12.156 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -3.356 -4.550 12.610 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -6.689 -4.533 13.106 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -6.833 -2.977 13.929 1.00 0.00 H new ATOM 960 N SER A 60 -0.987 -3.930 10.609 1.00 0.00 N ATOM 961 CA SER A 60 0.290 -4.357 11.168 1.00 0.00 C ATOM 962 C SER A 60 1.200 -3.158 11.422 1.00 0.00 C ATOM 963 O SER A 60 1.523 -2.842 12.567 1.00 0.00 O ATOM 964 CB SER A 60 0.980 -5.344 10.224 1.00 0.00 C ATOM 965 OG SER A 60 1.976 -6.089 10.904 1.00 0.00 O ATOM 0 H SER A 60 -1.191 -4.310 9.685 1.00 0.00 H new ATOM 0 HA SER A 60 0.095 -4.851 12.120 1.00 0.00 H new ATOM 0 HB2 SER A 60 0.241 -6.023 9.799 1.00 0.00 H new ATOM 0 HB3 SER A 60 1.431 -4.802 9.393 1.00 0.00 H new ATOM 0 HG SER A 60 2.401 -6.714 10.280 1.00 0.00 H new ATOM 971 N TYR A 61 1.608 -2.495 10.345 1.00 0.00 N ATOM 972 CA TYR A 61 2.482 -1.333 10.450 1.00 0.00 C ATOM 973 C TYR A 61 2.098 -0.468 11.646 1.00 0.00 C ATOM 974 O TYR A 61 2.939 -0.134 12.481 1.00 0.00 O ATOM 975 CB TYR A 61 2.418 -0.504 9.166 1.00 0.00 C ATOM 976 CG TYR A 61 3.235 0.767 9.225 1.00 0.00 C ATOM 977 CD1 TYR A 61 4.576 0.772 8.860 1.00 0.00 C ATOM 978 CD2 TYR A 61 2.666 1.963 9.644 1.00 0.00 C ATOM 979 CE1 TYR A 61 5.326 1.931 8.913 1.00 0.00 C ATOM 980 CE2 TYR A 61 3.408 3.127 9.698 1.00 0.00 C ATOM 981 CZ TYR A 61 4.737 3.106 9.333 1.00 0.00 C ATOM 982 OH TYR A 61 5.481 4.263 9.386 1.00 0.00 O ATOM 0 H TYR A 61 1.348 -2.742 9.390 1.00 0.00 H new ATOM 0 HA TYR A 61 3.502 -1.689 10.595 1.00 0.00 H new ATOM 0 HB2 TYR A 61 2.768 -1.113 8.332 1.00 0.00 H new ATOM 0 HB3 TYR A 61 1.379 -0.249 8.960 1.00 0.00 H new ATOM 0 HD1 TYR A 61 5.040 -0.146 8.529 1.00 0.00 H new ATOM 0 HD2 TYR A 61 1.625 1.983 9.933 1.00 0.00 H new ATOM 0 HE1 TYR A 61 6.367 1.917 8.627 1.00 0.00 H new ATOM 0 HE2 TYR A 61 2.949 4.049 10.024 1.00 0.00 H new ATOM 0 HH TYR A 61 4.917 5.000 9.701 1.00 0.00 H new ATOM 992 N TRP A 62 0.821 -0.109 11.723 1.00 0.00 N ATOM 993 CA TRP A 62 0.324 0.717 12.817 1.00 0.00 C ATOM 994 C TRP A 62 0.676 0.102 14.167 1.00 0.00 C ATOM 995 O TRP A 62 1.471 0.658 14.924 1.00 0.00 O ATOM 996 CB TRP A 62 -1.192 0.892 12.703 1.00 0.00 C ATOM 997 CG TRP A 62 -1.594 1.987 11.763 1.00 0.00 C ATOM 998 CD1 TRP A 62 -2.444 1.884 10.699 1.00 0.00 C ATOM 999 CD2 TRP A 62 -1.160 3.351 11.800 1.00 0.00 C ATOM 1000 NE1 TRP A 62 -2.566 3.101 10.074 1.00 0.00 N ATOM 1001 CE2 TRP A 62 -1.788 4.018 10.730 1.00 0.00 C ATOM 1002 CE3 TRP A 62 -0.304 4.075 12.635 1.00 0.00 C ATOM 1003 CZ2 TRP A 62 -1.585 5.371 10.475 1.00 0.00 C ATOM 1004 CZ3 TRP A 62 -0.103 5.418 12.380 1.00 0.00 C ATOM 1005 CH2 TRP A 62 -0.741 6.055 11.308 1.00 0.00 C ATOM 0 H TRP A 62 0.112 -0.377 11.041 1.00 0.00 H new ATOM 0 HA TRP A 62 0.802 1.694 12.748 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -1.635 -0.046 12.367 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -1.602 1.102 13.691 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -2.947 0.978 10.394 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -3.142 3.291 9.254 1.00 0.00 H new ATOM 0 HE3 TRP A 62 0.192 3.593 13.465 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -2.076 5.864 9.649 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 0.557 5.986 13.018 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -0.564 7.106 11.135 1.00 0.00 H new ATOM 1016 N ASN A 63 0.081 -1.050 14.462 1.00 0.00 N ATOM 1017 CA ASN A 63 0.333 -1.740 15.722 1.00 0.00 C ATOM 1018 C ASN A 63 1.822 -1.738 16.054 1.00 0.00 C ATOM 1019 O ASN A 63 2.219 -1.405 17.172 1.00 0.00 O ATOM 1020 CB ASN A 63 -0.183 -3.178 15.651 1.00 0.00 C ATOM 1021 CG ASN A 63 -1.697 -3.252 15.698 1.00 0.00 C ATOM 1022 OD1 ASN A 63 -2.333 -2.655 16.567 1.00 0.00 O ATOM 1023 ND2 ASN A 63 -2.283 -3.986 14.759 1.00 0.00 N ATOM 0 H ASN A 63 -0.579 -1.525 13.846 1.00 0.00 H new ATOM 0 HA ASN A 63 -0.198 -1.209 16.512 1.00 0.00 H new ATOM 0 HB2 ASN A 63 0.172 -3.644 14.732 1.00 0.00 H new ATOM 0 HB3 ASN A 63 0.232 -3.751 16.480 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -3.299 -4.072 14.739 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -1.717 -4.464 14.058 1.00 0.00 H new ATOM 1030 N HIS A 64 2.642 -2.111 15.077 1.00 0.00 N ATOM 1031 CA HIS A 64 4.088 -2.151 15.265 1.00 0.00 C ATOM 1032 C HIS A 64 4.776 -1.086 14.417 1.00 0.00 C ATOM 1033 O HIS A 64 5.933 -1.242 14.026 1.00 0.00 O ATOM 1034 CB HIS A 64 4.632 -3.534 14.907 1.00 0.00 C ATOM 1035 CG HIS A 64 4.149 -4.622 15.816 1.00 0.00 C ATOM 1036 ND1 HIS A 64 4.870 -5.771 16.065 1.00 0.00 N ATOM 1037 CD2 HIS A 64 3.010 -4.730 16.540 1.00 0.00 C ATOM 1038 CE1 HIS A 64 4.195 -6.540 16.900 1.00 0.00 C ATOM 1039 NE2 HIS A 64 3.063 -5.931 17.205 1.00 0.00 N ATOM 0 H HIS A 64 2.330 -2.390 14.147 1.00 0.00 H new ATOM 0 HA HIS A 64 4.299 -1.946 16.315 1.00 0.00 H new ATOM 0 HB2 HIS A 64 4.346 -3.774 13.883 1.00 0.00 H new ATOM 0 HB3 HIS A 64 5.721 -3.505 14.935 1.00 0.00 H new ATOM 0 HD2 HIS A 64 2.209 -4.007 16.586 1.00 0.00 H new ATOM 0 HE1 HIS A 64 4.514 -7.503 17.270 1.00 0.00 H new ATOM 0 HE2 HIS A 64 2.345 -6.294 17.832 1.00 0.00 H new TER 1048 HIS A 64