USER MOD reduce.3.24.130724 H: found=0, std=0, add=958, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 955 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 39 CYS SG : rot -172:sc= -6.43! USER MOD Set 1.2: A 63 ASN : amide:sc= -8.98! C(o=-15!,f=-20!) USER MOD Set 2.1: A 20 TYR OH : rot 0:sc= -3.25! USER MOD Set 2.2: A 43 HIS : no HD1:sc= -1.93! C(o=-5.2!,f=-20!) USER MOD Set 3.1: A 22 HIS : no HE2:sc= -7.34! C(o=-7.7!,f=-15!) USER MOD Set 3.2: A 36 MET CE :methyl -152:sc= -0.366 (180deg=-0.00865) USER MOD Set 4.1: A 27 ASN : amide:sc= -1.82! C(o=-1.1!,f=-1.7!) USER MOD Set 4.2: A 29 SER OG : rot 180:sc= 0.681! USER MOD Single : A 1 GLY N :NH3+ -139:sc= -2.82! (180deg=-6.03!) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN :FLIP amide:sc= -0.313 F(o=-1.7,f=-0.31) USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 CYS SG : rot 11:sc= 1.65 USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot -21:sc= 0.409 USER MOD Single : A 19 ASN : amide:sc= -0.195 X(o=-0.19,f=0) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -105:sc= 0.0352 USER MOD Single : A 33 SER OG : rot -99:sc= 0.763 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 TYR OH : rot -130:sc= -0.543 USER MOD Single : A 59 LYS NZ :NH3+ 155:sc= -0.0969 (180deg=-0.778) USER MOD Single : A 62 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= -1.92! USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 89:sc= 1.08 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 CYS SG : rot 59:sc= -6.23! USER MOD Single : A 79 GLN : amide:sc=-0.00594 K(o=-0.0059,f=-0.79) USER MOD Single : A 86 MET CE :methyl -130:sc= -0.0538 (180deg=-0.12) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ -108:sc= -0.239 (180deg=-2.22!) USER MOD Single : A 96 CYS SG : rot 127:sc= -0.375 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 89:sc= 0.639 USER MOD Single : A 100 TYR OH : rot 165:sc= 0 USER MOD Single : A 102 GLN : amide:sc= -0.0487 K(o=-0.049,f=-2) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 73:sc= 0.133 USER MOD Single : A 110 GLN : amide:sc= -0.355 X(o=-0.35,f=-0.35) USER MOD Single : A 111 LYS NZ :NH3+ -149:sc= 0.0911 (180deg=-0.0835) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ -166:sc= -0.0148 (180deg=-0.27) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 LYS NZ :NH3+ 164:sc= -0.0129 (180deg=-0.274) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 10.233 18.556 7.279 1.00 0.00 N ATOM 2 CA GLY A 1 10.547 17.141 7.625 1.00 0.00 C ATOM 3 C GLY A 1 9.749 16.728 8.857 1.00 0.00 C ATOM 4 O GLY A 1 9.086 15.692 8.861 1.00 0.00 O ATOM 0 H1 GLY A 1 10.145 18.650 6.247 1.00 0.00 H new ATOM 0 H2 GLY A 1 9.337 18.833 7.729 1.00 0.00 H new ATOM 0 H3 GLY A 1 10.997 19.174 7.619 1.00 0.00 H new ATOM 0 HA2 GLY A 1 10.305 16.488 6.786 1.00 0.00 H new ATOM 0 HA3 GLY A 1 11.614 17.031 7.817 1.00 0.00 H new ATOM 10 N PRO A 2 9.796 17.522 9.897 1.00 0.00 N ATOM 11 CA PRO A 2 9.056 17.228 11.150 1.00 0.00 C ATOM 12 C PRO A 2 7.555 17.381 10.928 1.00 0.00 C ATOM 13 O PRO A 2 6.741 16.694 11.544 1.00 0.00 O ATOM 14 CB PRO A 2 9.582 18.260 12.179 1.00 0.00 C ATOM 15 CG PRO A 2 10.605 19.115 11.465 1.00 0.00 C ATOM 16 CD PRO A 2 10.544 18.779 9.969 1.00 0.00 C ATOM 0 HA PRO A 2 9.211 16.206 11.495 1.00 0.00 H new ATOM 0 HB2 PRO A 2 8.766 18.873 12.561 1.00 0.00 H new ATOM 0 HB3 PRO A 2 10.031 17.756 13.035 1.00 0.00 H new ATOM 0 HG2 PRO A 2 10.397 20.173 11.627 1.00 0.00 H new ATOM 0 HG3 PRO A 2 11.603 18.923 11.858 1.00 0.00 H new ATOM 0 HD2 PRO A 2 10.046 19.568 9.406 1.00 0.00 H new ATOM 0 HD3 PRO A 2 11.543 18.669 9.547 1.00 0.00 H new ATOM 24 N LEU A 3 7.212 18.294 10.026 1.00 0.00 N ATOM 25 CA LEU A 3 5.822 18.559 9.693 1.00 0.00 C ATOM 26 C LEU A 3 5.293 17.520 8.703 1.00 0.00 C ATOM 27 O LEU A 3 4.177 17.019 8.848 1.00 0.00 O ATOM 28 CB LEU A 3 5.705 19.969 9.104 1.00 0.00 C ATOM 29 CG LEU A 3 6.380 20.978 10.051 1.00 0.00 C ATOM 30 CD1 LEU A 3 6.309 22.397 9.459 1.00 0.00 C ATOM 31 CD2 LEU A 3 5.676 20.950 11.420 1.00 0.00 C ATOM 0 H LEU A 3 7.883 18.864 9.511 1.00 0.00 H new ATOM 0 HA LEU A 3 5.219 18.493 10.599 1.00 0.00 H new ATOM 0 HB2 LEU A 3 6.176 20.005 8.122 1.00 0.00 H new ATOM 0 HB3 LEU A 3 4.656 20.231 8.964 1.00 0.00 H new ATOM 0 HG LEU A 3 7.427 20.702 10.174 1.00 0.00 H new ATOM 0 HD11 LEU A 3 6.790 23.100 10.139 1.00 0.00 H new ATOM 0 HD12 LEU A 3 6.820 22.416 8.497 1.00 0.00 H new ATOM 0 HD13 LEU A 3 5.266 22.682 9.321 1.00 0.00 H new ATOM 0 HD21 LEU A 3 6.154 21.665 12.090 1.00 0.00 H new ATOM 0 HD22 LEU A 3 4.626 21.216 11.295 1.00 0.00 H new ATOM 0 HD23 LEU A 3 5.748 19.949 11.846 1.00 0.00 H new ATOM 43 N GLY A 4 6.105 17.210 7.692 1.00 0.00 N ATOM 44 CA GLY A 4 5.717 16.236 6.672 1.00 0.00 C ATOM 45 C GLY A 4 6.134 14.832 7.087 1.00 0.00 C ATOM 46 O GLY A 4 6.972 14.202 6.441 1.00 0.00 O ATOM 0 H GLY A 4 7.031 17.617 7.558 1.00 0.00 H new ATOM 0 HA2 GLY A 4 4.638 16.271 6.520 1.00 0.00 H new ATOM 0 HA3 GLY A 4 6.182 16.493 5.720 1.00 0.00 H new ATOM 50 N SER A 5 5.544 14.353 8.176 1.00 0.00 N ATOM 51 CA SER A 5 5.859 13.025 8.683 1.00 0.00 C ATOM 52 C SER A 5 5.356 11.953 7.727 1.00 0.00 C ATOM 53 O SER A 5 6.141 11.193 7.160 1.00 0.00 O ATOM 54 CB SER A 5 5.211 12.826 10.053 1.00 0.00 C ATOM 55 OG SER A 5 5.778 13.744 10.976 1.00 0.00 O ATOM 0 H SER A 5 4.849 14.862 8.722 1.00 0.00 H new ATOM 0 HA SER A 5 6.942 12.939 8.772 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.134 12.979 9.985 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.366 11.803 10.397 1.00 0.00 H new ATOM 0 HG SER A 5 5.364 13.621 11.856 1.00 0.00 H new ATOM 61 N LYS A 6 4.039 11.892 7.561 1.00 0.00 N ATOM 62 CA LYS A 6 3.427 10.899 6.679 1.00 0.00 C ATOM 63 C LYS A 6 3.072 11.525 5.337 1.00 0.00 C ATOM 64 O LYS A 6 2.534 10.858 4.454 1.00 0.00 O ATOM 65 CB LYS A 6 2.170 10.334 7.337 1.00 0.00 C ATOM 66 CG LYS A 6 2.544 9.708 8.684 1.00 0.00 C ATOM 67 CD LYS A 6 1.308 9.055 9.314 1.00 0.00 C ATOM 68 CE LYS A 6 1.685 8.392 10.645 1.00 0.00 C ATOM 69 NZ LYS A 6 0.624 7.416 11.026 1.00 0.00 N ATOM 0 H LYS A 6 3.376 12.514 8.022 1.00 0.00 H new ATOM 0 HA LYS A 6 4.141 10.093 6.508 1.00 0.00 H new ATOM 0 HB2 LYS A 6 1.434 11.125 7.482 1.00 0.00 H new ATOM 0 HB3 LYS A 6 1.711 9.586 6.690 1.00 0.00 H new ATOM 0 HG2 LYS A 6 3.328 8.964 8.544 1.00 0.00 H new ATOM 0 HG3 LYS A 6 2.944 10.471 9.352 1.00 0.00 H new ATOM 0 HD2 LYS A 6 0.534 9.805 9.478 1.00 0.00 H new ATOM 0 HD3 LYS A 6 0.892 8.312 8.633 1.00 0.00 H new ATOM 0 HE2 LYS A 6 2.646 7.885 10.553 1.00 0.00 H new ATOM 0 HE3 LYS A 6 1.796 9.148 11.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 0.876 6.964 11.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -0.284 7.913 11.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 0.539 6.689 10.287 1.00 0.00 H new ATOM 83 N ASN A 7 3.383 12.807 5.188 1.00 0.00 N ATOM 84 CA ASN A 7 3.102 13.509 3.944 1.00 0.00 C ATOM 85 C ASN A 7 3.934 12.921 2.814 1.00 0.00 C ATOM 86 O ASN A 7 3.458 12.763 1.693 1.00 0.00 O ATOM 87 CB ASN A 7 3.420 14.996 4.100 1.00 0.00 C ATOM 88 CG ASN A 7 2.398 15.651 5.023 1.00 0.00 C ATOM 89 OD1 ASN A 7 2.400 15.362 6.296 1.00 0.00 O flip ATOM 90 ND2 ASN A 7 1.571 16.444 4.571 1.00 0.00 N flip ATOM 0 H ASN A 7 3.827 13.377 5.908 1.00 0.00 H new ATOM 0 HA ASN A 7 2.045 13.393 3.705 1.00 0.00 H new ATOM 0 HB2 ASN A 7 4.423 15.122 4.507 1.00 0.00 H new ATOM 0 HB3 ASN A 7 3.408 15.484 3.125 1.00 0.00 H new ATOM 0 HD21 ASN A 7 1.571 16.669 3.576 1.00 0.00 H new ATOM 0 HD22 ASN A 7 0.886 16.876 5.192 1.00 0.00 H new ATOM 97 N MET A 8 5.183 12.598 3.126 1.00 0.00 N ATOM 98 CA MET A 8 6.090 12.027 2.138 1.00 0.00 C ATOM 99 C MET A 8 5.518 10.729 1.580 1.00 0.00 C ATOM 100 O MET A 8 5.496 10.518 0.367 1.00 0.00 O ATOM 101 CB MET A 8 7.446 11.752 2.804 1.00 0.00 C ATOM 102 CG MET A 8 8.425 11.131 1.800 1.00 0.00 C ATOM 103 SD MET A 8 8.733 12.290 0.446 1.00 0.00 S ATOM 104 CE MET A 8 9.515 11.109 -0.681 1.00 0.00 C ATOM 0 H MET A 8 5.590 12.721 4.053 1.00 0.00 H new ATOM 0 HA MET A 8 6.216 12.732 1.316 1.00 0.00 H new ATOM 0 HB2 MET A 8 7.860 12.681 3.196 1.00 0.00 H new ATOM 0 HB3 MET A 8 7.311 11.080 3.652 1.00 0.00 H new ATOM 0 HG2 MET A 8 9.362 10.883 2.298 1.00 0.00 H new ATOM 0 HG3 MET A 8 8.016 10.200 1.408 1.00 0.00 H new ATOM 0 HE1 MET A 8 9.794 11.617 -1.604 1.00 0.00 H new ATOM 0 HE2 MET A 8 10.407 10.694 -0.211 1.00 0.00 H new ATOM 0 HE3 MET A 8 8.816 10.304 -0.907 1.00 0.00 H new ATOM 114 N LEU A 9 5.060 9.865 2.475 1.00 0.00 N ATOM 115 CA LEU A 9 4.490 8.592 2.084 1.00 0.00 C ATOM 116 C LEU A 9 3.209 8.801 1.300 1.00 0.00 C ATOM 117 O LEU A 9 2.975 8.150 0.288 1.00 0.00 O ATOM 118 CB LEU A 9 4.180 7.784 3.335 1.00 0.00 C ATOM 119 CG LEU A 9 5.475 7.350 4.014 1.00 0.00 C ATOM 120 CD1 LEU A 9 5.149 6.750 5.386 1.00 0.00 C ATOM 121 CD2 LEU A 9 6.219 6.303 3.152 1.00 0.00 C ATOM 0 H LEU A 9 5.074 10.028 3.482 1.00 0.00 H new ATOM 0 HA LEU A 9 5.206 8.062 1.456 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.582 8.381 4.024 1.00 0.00 H new ATOM 0 HB3 LEU A 9 3.586 6.908 3.074 1.00 0.00 H new ATOM 0 HG LEU A 9 6.120 8.221 4.133 1.00 0.00 H new ATOM 0 HD11 LEU A 9 6.072 6.438 5.875 1.00 0.00 H new ATOM 0 HD12 LEU A 9 4.647 7.498 6.000 1.00 0.00 H new ATOM 0 HD13 LEU A 9 4.496 5.887 5.260 1.00 0.00 H new ATOM 0 HD21 LEU A 9 7.140 6.007 3.654 1.00 0.00 H new ATOM 0 HD22 LEU A 9 5.584 5.428 3.013 1.00 0.00 H new ATOM 0 HD23 LEU A 9 6.458 6.735 2.180 1.00 0.00 H new ATOM 133 N LEU A 10 2.379 9.710 1.793 1.00 0.00 N ATOM 134 CA LEU A 10 1.106 9.990 1.142 1.00 0.00 C ATOM 135 C LEU A 10 1.358 10.497 -0.272 1.00 0.00 C ATOM 136 O LEU A 10 0.746 10.032 -1.236 1.00 0.00 O ATOM 137 CB LEU A 10 0.321 11.034 1.963 1.00 0.00 C ATOM 138 CG LEU A 10 -1.180 10.988 1.606 1.00 0.00 C ATOM 139 CD1 LEU A 10 -1.864 9.828 2.353 1.00 0.00 C ATOM 140 CD2 LEU A 10 -1.853 12.319 1.996 1.00 0.00 C ATOM 0 H LEU A 10 2.561 10.261 2.632 1.00 0.00 H new ATOM 0 HA LEU A 10 0.513 9.077 1.085 1.00 0.00 H new ATOM 0 HB2 LEU A 10 0.453 10.842 3.028 1.00 0.00 H new ATOM 0 HB3 LEU A 10 0.717 12.031 1.768 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.282 10.833 0.532 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.923 9.803 2.095 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.398 8.885 2.066 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.756 9.973 3.428 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -2.912 12.280 1.741 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -1.744 12.482 3.068 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.380 13.138 1.455 1.00 0.00 H new ATOM 152 N GLU A 11 2.283 11.436 -0.386 1.00 0.00 N ATOM 153 CA GLU A 11 2.643 12.004 -1.676 1.00 0.00 C ATOM 154 C GLU A 11 3.084 10.905 -2.626 1.00 0.00 C ATOM 155 O GLU A 11 2.673 10.825 -3.785 1.00 0.00 O ATOM 156 CB GLU A 11 3.814 12.962 -1.458 1.00 0.00 C ATOM 157 CG GLU A 11 3.855 14.001 -2.573 1.00 0.00 C ATOM 158 CD GLU A 11 4.194 13.327 -3.896 1.00 0.00 C ATOM 159 OE1 GLU A 11 4.975 12.388 -3.882 1.00 0.00 O ATOM 160 OE2 GLU A 11 3.660 13.754 -4.905 1.00 0.00 O ATOM 0 H GLU A 11 2.801 11.823 0.403 1.00 0.00 H new ATOM 0 HA GLU A 11 1.785 12.521 -2.104 1.00 0.00 H new ATOM 0 HB2 GLU A 11 3.714 13.457 -0.492 1.00 0.00 H new ATOM 0 HB3 GLU A 11 4.751 12.405 -1.435 1.00 0.00 H new ATOM 0 HG2 GLU A 11 2.892 14.505 -2.648 1.00 0.00 H new ATOM 0 HG3 GLU A 11 4.598 14.765 -2.343 1.00 0.00 H new ATOM 167 N TRP A 12 3.953 10.094 -2.077 1.00 0.00 N ATOM 168 CA TRP A 12 4.561 8.967 -2.749 1.00 0.00 C ATOM 169 C TRP A 12 3.511 7.918 -3.123 1.00 0.00 C ATOM 170 O TRP A 12 3.293 7.635 -4.301 1.00 0.00 O ATOM 171 CB TRP A 12 5.560 8.441 -1.728 1.00 0.00 C ATOM 172 CG TRP A 12 6.334 7.267 -2.194 1.00 0.00 C ATOM 173 CD1 TRP A 12 7.445 7.303 -2.957 1.00 0.00 C ATOM 174 CD2 TRP A 12 6.111 5.884 -1.850 1.00 0.00 C ATOM 175 NE1 TRP A 12 7.916 6.011 -3.111 1.00 0.00 N ATOM 176 CE2 TRP A 12 7.118 5.097 -2.448 1.00 0.00 C ATOM 177 CE3 TRP A 12 5.127 5.250 -1.087 1.00 0.00 C ATOM 178 CZ2 TRP A 12 7.150 3.714 -2.283 1.00 0.00 C ATOM 179 CZ3 TRP A 12 5.148 3.858 -0.918 1.00 0.00 C ATOM 180 CH2 TRP A 12 6.161 3.090 -1.515 1.00 0.00 C ATOM 0 H TRP A 12 4.270 10.202 -1.114 1.00 0.00 H new ATOM 0 HA TRP A 12 5.038 9.233 -3.692 1.00 0.00 H new ATOM 0 HB2 TRP A 12 6.253 9.241 -1.468 1.00 0.00 H new ATOM 0 HB3 TRP A 12 5.026 8.173 -0.816 1.00 0.00 H new ATOM 0 HD1 TRP A 12 7.892 8.191 -3.378 1.00 0.00 H new ATOM 0 HE1 TRP A 12 8.748 5.764 -3.647 1.00 0.00 H new ATOM 0 HE3 TRP A 12 4.346 5.835 -0.625 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 7.932 3.129 -2.744 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 4.383 3.375 -0.327 1.00 0.00 H new ATOM 0 HH2 TRP A 12 6.177 2.018 -1.381 1.00 0.00 H new ATOM 191 N CYS A 13 2.854 7.352 -2.115 1.00 0.00 N ATOM 192 CA CYS A 13 1.823 6.336 -2.348 1.00 0.00 C ATOM 193 C CYS A 13 0.796 6.828 -3.374 1.00 0.00 C ATOM 194 O CYS A 13 0.434 6.104 -4.298 1.00 0.00 O ATOM 195 CB CYS A 13 1.121 6.034 -1.014 1.00 0.00 C ATOM 196 SG CYS A 13 1.998 4.710 -0.149 1.00 0.00 S ATOM 0 H CYS A 13 3.013 7.575 -1.133 1.00 0.00 H new ATOM 0 HA CYS A 13 2.290 5.434 -2.742 1.00 0.00 H new ATOM 0 HB2 CYS A 13 1.095 6.931 -0.395 1.00 0.00 H new ATOM 0 HB3 CYS A 13 0.087 5.741 -1.195 1.00 0.00 H new ATOM 0 HG CYS A 13 3.135 4.486 -0.737 1.00 0.00 H new ATOM 202 N ARG A 14 0.355 8.065 -3.195 1.00 0.00 N ATOM 203 CA ARG A 14 -0.623 8.670 -4.106 1.00 0.00 C ATOM 204 C ARG A 14 -0.066 8.727 -5.518 1.00 0.00 C ATOM 205 O ARG A 14 -0.740 8.401 -6.490 1.00 0.00 O ATOM 206 CB ARG A 14 -0.927 10.093 -3.651 1.00 0.00 C ATOM 207 CG ARG A 14 -1.911 10.751 -4.626 1.00 0.00 C ATOM 208 CD ARG A 14 -2.381 12.091 -4.057 1.00 0.00 C ATOM 209 NE ARG A 14 -3.020 12.890 -5.104 1.00 0.00 N ATOM 210 CZ ARG A 14 -2.332 13.800 -5.795 1.00 0.00 C ATOM 211 NH1 ARG A 14 -2.068 14.960 -5.258 1.00 0.00 N ATOM 212 NH2 ARG A 14 -1.920 13.532 -7.003 1.00 0.00 N ATOM 0 H ARG A 14 0.654 8.672 -2.432 1.00 0.00 H new ATOM 0 HA ARG A 14 -1.529 8.063 -4.095 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -1.350 10.081 -2.646 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -0.006 10.674 -3.602 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -1.433 10.903 -5.593 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -2.766 10.096 -4.793 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -3.082 11.921 -3.240 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -1.533 12.635 -3.641 1.00 0.00 H new ATOM 0 HE ARG A 14 -4.009 12.748 -5.309 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -2.388 15.169 -4.312 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -1.542 15.658 -5.784 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -2.124 12.625 -7.422 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -1.394 14.230 -7.529 1.00 0.00 H new ATOM 226 N ALA A 15 1.169 9.159 -5.612 1.00 0.00 N ATOM 227 CA ALA A 15 1.836 9.287 -6.907 1.00 0.00 C ATOM 228 C ALA A 15 1.703 8.006 -7.728 1.00 0.00 C ATOM 229 O ALA A 15 1.756 8.037 -8.957 1.00 0.00 O ATOM 230 CB ALA A 15 3.316 9.599 -6.695 1.00 0.00 C ATOM 0 H ALA A 15 1.741 9.431 -4.813 1.00 0.00 H new ATOM 0 HA ALA A 15 1.357 10.099 -7.454 1.00 0.00 H new ATOM 0 HB1 ALA A 15 3.810 9.694 -7.662 1.00 0.00 H new ATOM 0 HB2 ALA A 15 3.415 10.534 -6.144 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.780 8.792 -6.128 1.00 0.00 H new ATOM 236 N MET A 16 1.534 6.883 -7.042 1.00 0.00 N ATOM 237 CA MET A 16 1.392 5.588 -7.704 1.00 0.00 C ATOM 238 C MET A 16 -0.075 5.298 -8.031 1.00 0.00 C ATOM 239 O MET A 16 -0.376 4.516 -8.933 1.00 0.00 O ATOM 240 CB MET A 16 1.968 4.494 -6.800 1.00 0.00 C ATOM 241 CG MET A 16 3.382 4.895 -6.360 1.00 0.00 C ATOM 242 SD MET A 16 4.459 5.065 -7.805 1.00 0.00 S ATOM 243 CE MET A 16 5.761 6.055 -7.017 1.00 0.00 C ATOM 0 H MET A 16 1.492 6.841 -6.024 1.00 0.00 H new ATOM 0 HA MET A 16 1.942 5.608 -8.645 1.00 0.00 H new ATOM 0 HB2 MET A 16 1.329 4.353 -5.928 1.00 0.00 H new ATOM 0 HB3 MET A 16 1.996 3.543 -7.332 1.00 0.00 H new ATOM 0 HG2 MET A 16 3.347 5.836 -5.810 1.00 0.00 H new ATOM 0 HG3 MET A 16 3.787 4.144 -5.682 1.00 0.00 H new ATOM 0 HE1 MET A 16 6.541 6.276 -7.746 1.00 0.00 H new ATOM 0 HE2 MET A 16 5.335 6.987 -6.647 1.00 0.00 H new ATOM 0 HE3 MET A 16 6.190 5.496 -6.185 1.00 0.00 H new ATOM 253 N THR A 17 -0.981 5.931 -7.286 1.00 0.00 N ATOM 254 CA THR A 17 -2.418 5.736 -7.491 1.00 0.00 C ATOM 255 C THR A 17 -2.883 6.361 -8.804 1.00 0.00 C ATOM 256 O THR A 17 -3.971 6.059 -9.287 1.00 0.00 O ATOM 257 CB THR A 17 -3.204 6.360 -6.334 1.00 0.00 C ATOM 258 OG1 THR A 17 -2.915 7.746 -6.259 1.00 0.00 O ATOM 259 CG2 THR A 17 -2.818 5.684 -5.024 1.00 0.00 C ATOM 0 H THR A 17 -0.747 6.582 -6.536 1.00 0.00 H new ATOM 0 HA THR A 17 -2.603 4.662 -7.531 1.00 0.00 H new ATOM 0 HB THR A 17 -4.271 6.221 -6.507 1.00 0.00 H new ATOM 0 HG1 THR A 17 -2.061 7.927 -6.705 1.00 0.00 H new ATOM 0 HG21 THR A 17 -3.380 6.132 -4.204 1.00 0.00 H new ATOM 0 HG22 THR A 17 -3.047 4.620 -5.082 1.00 0.00 H new ATOM 0 HG23 THR A 17 -1.751 5.816 -4.847 1.00 0.00 H new ATOM 267 N ARG A 18 -2.050 7.220 -9.382 1.00 0.00 N ATOM 268 CA ARG A 18 -2.379 7.860 -10.643 1.00 0.00 C ATOM 269 C ARG A 18 -2.465 6.804 -11.745 1.00 0.00 C ATOM 270 O ARG A 18 -3.367 6.819 -12.584 1.00 0.00 O ATOM 271 CB ARG A 18 -1.283 8.865 -10.975 1.00 0.00 C ATOM 272 CG ARG A 18 -1.665 9.621 -12.239 1.00 0.00 C ATOM 273 CD ARG A 18 -0.549 10.582 -12.616 1.00 0.00 C ATOM 274 NE ARG A 18 0.639 9.837 -13.002 1.00 0.00 N ATOM 275 CZ ARG A 18 1.757 10.457 -13.349 1.00 0.00 C ATOM 276 NH1 ARG A 18 2.609 10.823 -12.433 1.00 0.00 N ATOM 277 NH2 ARG A 18 2.000 10.704 -14.606 1.00 0.00 N ATOM 0 H ARG A 18 -1.144 7.486 -8.995 1.00 0.00 H new ATOM 0 HA ARG A 18 -3.340 8.370 -10.567 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -1.148 9.561 -10.147 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -0.332 8.351 -11.117 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -1.845 8.920 -13.054 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -2.593 10.170 -12.080 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -0.871 11.221 -13.438 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -0.321 11.236 -11.774 1.00 0.00 H new ATOM 0 HE ARG A 18 0.611 8.817 -13.006 1.00 0.00 H new ATOM 0 HH11 ARG A 18 2.415 10.632 -11.450 1.00 0.00 H new ATOM 0 HH12 ARG A 18 3.470 11.300 -12.699 1.00 0.00 H new ATOM 0 HH21 ARG A 18 1.330 10.420 -15.320 1.00 0.00 H new ATOM 0 HH22 ARG A 18 2.860 11.181 -14.875 1.00 0.00 H new ATOM 291 N ASN A 19 -1.497 5.901 -11.718 1.00 0.00 N ATOM 292 CA ASN A 19 -1.417 4.818 -12.695 1.00 0.00 C ATOM 293 C ASN A 19 -2.617 3.897 -12.552 1.00 0.00 C ATOM 294 O ASN A 19 -3.149 3.380 -13.537 1.00 0.00 O ATOM 295 CB ASN A 19 -0.136 4.009 -12.479 1.00 0.00 C ATOM 296 CG ASN A 19 -0.081 2.842 -13.462 1.00 0.00 C ATOM 297 OD1 ASN A 19 0.247 1.720 -13.076 1.00 0.00 O ATOM 298 ND2 ASN A 19 -0.385 3.040 -14.716 1.00 0.00 N ATOM 0 H ASN A 19 -0.748 5.895 -11.025 1.00 0.00 H new ATOM 0 HA ASN A 19 -1.409 5.253 -13.694 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.735 4.650 -12.614 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -0.101 3.635 -11.456 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -0.351 2.264 -15.378 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -0.657 3.970 -15.034 1.00 0.00 H new ATOM 305 N TYR A 20 -3.028 3.690 -11.307 1.00 0.00 N ATOM 306 CA TYR A 20 -4.156 2.825 -10.994 1.00 0.00 C ATOM 307 C TYR A 20 -5.442 3.632 -10.866 1.00 0.00 C ATOM 308 O TYR A 20 -5.411 4.828 -10.594 1.00 0.00 O ATOM 309 CB TYR A 20 -3.869 2.103 -9.681 1.00 0.00 C ATOM 310 CG TYR A 20 -2.695 1.174 -9.875 1.00 0.00 C ATOM 311 CD1 TYR A 20 -2.852 0.001 -10.616 1.00 0.00 C ATOM 312 CD2 TYR A 20 -1.454 1.481 -9.307 1.00 0.00 C ATOM 313 CE1 TYR A 20 -1.773 -0.866 -10.795 1.00 0.00 C ATOM 314 CE2 TYR A 20 -0.368 0.616 -9.483 1.00 0.00 C ATOM 315 CZ TYR A 20 -0.525 -0.560 -10.228 1.00 0.00 C ATOM 316 OH TYR A 20 0.545 -1.414 -10.402 1.00 0.00 O ATOM 0 H TYR A 20 -2.590 4.115 -10.490 1.00 0.00 H new ATOM 0 HA TYR A 20 -4.288 2.105 -11.802 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -3.651 2.825 -8.894 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -4.746 1.539 -9.362 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -3.811 -0.236 -11.052 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -1.334 2.387 -8.732 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -1.898 -1.772 -11.369 1.00 0.00 H new ATOM 0 HE2 TYR A 20 0.590 0.855 -9.045 1.00 0.00 H new ATOM 0 HH TYR A 20 0.266 -2.182 -10.942 1.00 0.00 H new ATOM 326 N GLU A 21 -6.580 2.975 -11.086 1.00 0.00 N ATOM 327 CA GLU A 21 -7.880 3.646 -11.007 1.00 0.00 C ATOM 328 C GLU A 21 -8.740 3.025 -9.920 1.00 0.00 C ATOM 329 O GLU A 21 -8.362 2.020 -9.321 1.00 0.00 O ATOM 330 CB GLU A 21 -8.605 3.525 -12.342 1.00 0.00 C ATOM 331 CG GLU A 21 -7.873 4.351 -13.398 1.00 0.00 C ATOM 332 CD GLU A 21 -8.537 4.155 -14.754 1.00 0.00 C ATOM 333 OE1 GLU A 21 -9.406 3.304 -14.847 1.00 0.00 O ATOM 334 OE2 GLU A 21 -8.158 4.846 -15.684 1.00 0.00 O ATOM 0 H GLU A 21 -6.630 1.983 -11.319 1.00 0.00 H new ATOM 0 HA GLU A 21 -7.708 4.696 -10.769 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -8.650 2.480 -12.650 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -9.633 3.873 -12.242 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -7.889 5.406 -13.124 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -6.827 4.050 -13.448 1.00 0.00 H new ATOM 341 N HIS A 22 -9.892 3.645 -9.664 1.00 0.00 N ATOM 342 CA HIS A 22 -10.801 3.153 -8.634 1.00 0.00 C ATOM 343 C HIS A 22 -10.099 3.241 -7.280 1.00 0.00 C ATOM 344 O HIS A 22 -10.604 2.785 -6.259 1.00 0.00 O ATOM 345 CB HIS A 22 -11.222 1.703 -8.965 1.00 0.00 C ATOM 346 CG HIS A 22 -12.323 1.235 -8.048 1.00 0.00 C ATOM 347 ND1 HIS A 22 -12.152 1.140 -6.682 1.00 0.00 N ATOM 348 CD2 HIS A 22 -13.601 0.791 -8.294 1.00 0.00 C ATOM 349 CE1 HIS A 22 -13.289 0.661 -6.157 1.00 0.00 C ATOM 350 NE2 HIS A 22 -14.211 0.430 -7.095 1.00 0.00 N ATOM 0 H HIS A 22 -10.214 4.481 -10.152 1.00 0.00 H new ATOM 0 HA HIS A 22 -11.706 3.760 -8.596 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -11.558 1.646 -10.000 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -10.361 1.041 -8.872 1.00 0.00 H new ATOM 0 HD1 HIS A 22 -11.310 1.390 -6.164 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -14.062 0.731 -9.269 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -13.441 0.483 -5.103 1.00 0.00 H new ATOM 358 N VAL A 23 -8.919 3.854 -7.293 1.00 0.00 N ATOM 359 CA VAL A 23 -8.120 4.025 -6.081 1.00 0.00 C ATOM 360 C VAL A 23 -7.833 5.507 -5.854 1.00 0.00 C ATOM 361 O VAL A 23 -7.296 6.187 -6.727 1.00 0.00 O ATOM 362 CB VAL A 23 -6.801 3.264 -6.254 1.00 0.00 C ATOM 363 CG1 VAL A 23 -5.854 3.562 -5.095 1.00 0.00 C ATOM 364 CG2 VAL A 23 -7.085 1.762 -6.320 1.00 0.00 C ATOM 0 H VAL A 23 -8.492 4.243 -8.134 1.00 0.00 H new ATOM 0 HA VAL A 23 -8.665 3.637 -5.220 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.326 3.588 -7.180 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -4.923 3.013 -5.235 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.643 4.631 -5.063 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -6.318 3.255 -4.158 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -6.148 1.220 -6.443 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -7.571 1.443 -5.398 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -7.739 1.552 -7.166 1.00 0.00 H new ATOM 374 N ASP A 24 -8.184 5.992 -4.669 1.00 0.00 N ATOM 375 CA ASP A 24 -7.962 7.397 -4.308 1.00 0.00 C ATOM 376 C ASP A 24 -7.570 7.493 -2.841 1.00 0.00 C ATOM 377 O ASP A 24 -8.404 7.317 -1.957 1.00 0.00 O ATOM 378 CB ASP A 24 -9.232 8.215 -4.559 1.00 0.00 C ATOM 379 CG ASP A 24 -9.578 8.188 -6.043 1.00 0.00 C ATOM 380 OD1 ASP A 24 -8.662 8.104 -6.843 1.00 0.00 O ATOM 381 OD2 ASP A 24 -10.755 8.245 -6.358 1.00 0.00 O ATOM 0 H ASP A 24 -8.625 5.436 -3.936 1.00 0.00 H new ATOM 0 HA ASP A 24 -7.158 7.798 -4.925 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -10.059 7.809 -3.976 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -9.084 9.243 -4.229 1.00 0.00 H new ATOM 386 N ILE A 25 -6.291 7.741 -2.588 1.00 0.00 N ATOM 387 CA ILE A 25 -5.794 7.815 -1.218 1.00 0.00 C ATOM 388 C ILE A 25 -6.083 9.164 -0.553 1.00 0.00 C ATOM 389 O ILE A 25 -5.361 10.145 -0.740 1.00 0.00 O ATOM 390 CB ILE A 25 -4.291 7.509 -1.214 1.00 0.00 C ATOM 391 CG1 ILE A 25 -4.105 6.016 -1.533 1.00 0.00 C ATOM 392 CG2 ILE A 25 -3.688 7.821 0.158 1.00 0.00 C ATOM 393 CD1 ILE A 25 -2.623 5.680 -1.742 1.00 0.00 C ATOM 0 H ILE A 25 -5.583 7.893 -3.306 1.00 0.00 H new ATOM 0 HA ILE A 25 -6.326 7.071 -0.625 1.00 0.00 H new ATOM 0 HB ILE A 25 -3.786 8.125 -1.959 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -4.507 5.413 -0.718 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -4.670 5.759 -2.429 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.621 7.599 0.145 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -3.836 8.876 0.389 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -4.177 7.211 0.918 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.519 4.618 -1.966 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -2.231 6.267 -2.573 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -2.065 5.916 -0.836 1.00 0.00 H new ATOM 405 N GLN A 26 -7.147 9.168 0.257 1.00 0.00 N ATOM 406 CA GLN A 26 -7.562 10.356 1.009 1.00 0.00 C ATOM 407 C GLN A 26 -7.020 10.254 2.428 1.00 0.00 C ATOM 408 O GLN A 26 -6.762 11.257 3.093 1.00 0.00 O ATOM 409 CB GLN A 26 -9.090 10.451 1.047 1.00 0.00 C ATOM 410 CG GLN A 26 -9.506 11.740 1.760 1.00 0.00 C ATOM 411 CD GLN A 26 -11.026 11.836 1.806 1.00 0.00 C ATOM 412 OE1 GLN A 26 -11.703 10.845 2.080 1.00 0.00 O ATOM 413 NE2 GLN A 26 -11.608 12.978 1.558 1.00 0.00 N ATOM 0 H GLN A 26 -7.741 8.353 0.409 1.00 0.00 H new ATOM 0 HA GLN A 26 -7.169 11.249 0.523 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -9.491 10.438 0.033 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -9.506 9.587 1.565 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -9.101 11.754 2.772 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -9.093 12.604 1.239 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -11.046 13.798 1.331 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -12.625 13.050 1.591 1.00 0.00 H new ATOM 422 N ASN A 27 -6.835 9.018 2.868 1.00 0.00 N ATOM 423 CA ASN A 27 -6.306 8.737 4.192 1.00 0.00 C ATOM 424 C ASN A 27 -5.606 7.394 4.143 1.00 0.00 C ATOM 425 O ASN A 27 -5.409 6.831 3.066 1.00 0.00 O ATOM 426 CB ASN A 27 -7.427 8.706 5.238 1.00 0.00 C ATOM 427 CG ASN A 27 -6.838 8.785 6.646 1.00 0.00 C ATOM 428 OD1 ASN A 27 -5.848 9.483 6.870 1.00 0.00 O ATOM 429 ND2 ASN A 27 -7.395 8.109 7.617 1.00 0.00 N ATOM 0 H ASN A 27 -7.047 8.185 2.319 1.00 0.00 H new ATOM 0 HA ASN A 27 -5.608 9.523 4.480 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -8.110 9.540 5.074 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -8.009 7.791 5.130 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -7.010 8.160 8.560 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -8.215 7.531 7.431 1.00 0.00 H new ATOM 436 N PHE A 28 -5.221 6.882 5.298 1.00 0.00 N ATOM 437 CA PHE A 28 -4.534 5.594 5.353 1.00 0.00 C ATOM 438 C PHE A 28 -5.481 4.511 5.844 1.00 0.00 C ATOM 439 O PHE A 28 -5.146 3.327 5.841 1.00 0.00 O ATOM 440 CB PHE A 28 -3.334 5.706 6.295 1.00 0.00 C ATOM 441 CG PHE A 28 -2.219 6.451 5.596 1.00 0.00 C ATOM 442 CD1 PHE A 28 -1.592 5.878 4.485 1.00 0.00 C ATOM 443 CD2 PHE A 28 -1.816 7.711 6.057 1.00 0.00 C ATOM 444 CE1 PHE A 28 -0.563 6.565 3.831 1.00 0.00 C ATOM 445 CE2 PHE A 28 -0.786 8.396 5.403 1.00 0.00 C ATOM 446 CZ PHE A 28 -0.160 7.824 4.290 1.00 0.00 C ATOM 0 H PHE A 28 -5.368 7.328 6.203 1.00 0.00 H new ATOM 0 HA PHE A 28 -4.192 5.325 4.354 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -3.621 6.229 7.207 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -2.995 4.713 6.590 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -1.902 4.906 4.132 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -2.299 8.153 6.916 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -0.080 6.123 2.972 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -0.474 9.367 5.758 1.00 0.00 H new ATOM 0 HZ PHE A 28 0.634 8.354 3.785 1.00 0.00 H new ATOM 456 N SER A 29 -6.653 4.934 6.295 1.00 0.00 N ATOM 457 CA SER A 29 -7.653 4.012 6.843 1.00 0.00 C ATOM 458 C SER A 29 -8.837 3.796 5.903 1.00 0.00 C ATOM 459 O SER A 29 -9.009 2.714 5.339 1.00 0.00 O ATOM 460 CB SER A 29 -8.176 4.583 8.161 1.00 0.00 C ATOM 461 OG SER A 29 -8.803 5.834 7.914 1.00 0.00 O ATOM 0 H SER A 29 -6.941 5.912 6.295 1.00 0.00 H new ATOM 0 HA SER A 29 -7.165 3.048 6.985 1.00 0.00 H new ATOM 0 HB2 SER A 29 -8.885 3.891 8.615 1.00 0.00 H new ATOM 0 HB3 SER A 29 -7.356 4.707 8.868 1.00 0.00 H new ATOM 0 HG SER A 29 -9.141 6.203 8.757 1.00 0.00 H new ATOM 467 N SER A 30 -9.656 4.828 5.762 1.00 0.00 N ATOM 468 CA SER A 30 -10.843 4.752 4.915 1.00 0.00 C ATOM 469 C SER A 30 -10.498 4.483 3.460 1.00 0.00 C ATOM 470 O SER A 30 -11.158 3.688 2.794 1.00 0.00 O ATOM 471 CB SER A 30 -11.627 6.058 5.007 1.00 0.00 C ATOM 472 OG SER A 30 -12.576 6.108 3.948 1.00 0.00 O ATOM 0 H SER A 30 -9.523 5.729 6.222 1.00 0.00 H new ATOM 0 HA SER A 30 -11.444 3.918 5.277 1.00 0.00 H new ATOM 0 HB2 SER A 30 -12.134 6.125 5.970 1.00 0.00 H new ATOM 0 HB3 SER A 30 -10.949 6.909 4.944 1.00 0.00 H new ATOM 0 HG SER A 30 -13.084 6.944 4.003 1.00 0.00 H new ATOM 478 N SER A 31 -9.485 5.165 2.958 1.00 0.00 N ATOM 479 CA SER A 31 -9.103 4.995 1.566 1.00 0.00 C ATOM 480 C SER A 31 -8.468 3.628 1.342 1.00 0.00 C ATOM 481 O SER A 31 -8.055 3.301 0.230 1.00 0.00 O ATOM 482 CB SER A 31 -8.117 6.098 1.163 1.00 0.00 C ATOM 483 OG SER A 31 -6.799 5.568 1.104 1.00 0.00 O ATOM 0 H SER A 31 -8.919 5.832 3.482 1.00 0.00 H new ATOM 0 HA SER A 31 -9.999 5.063 0.950 1.00 0.00 H new ATOM 0 HB2 SER A 31 -8.396 6.512 0.194 1.00 0.00 H new ATOM 0 HB3 SER A 31 -8.158 6.916 1.882 1.00 0.00 H new ATOM 0 HG SER A 31 -6.291 5.867 1.887 1.00 0.00 H new ATOM 489 N TRP A 32 -8.378 2.837 2.409 1.00 0.00 N ATOM 490 CA TRP A 32 -7.776 1.506 2.333 1.00 0.00 C ATOM 491 C TRP A 32 -8.806 0.406 2.594 1.00 0.00 C ATOM 492 O TRP A 32 -8.487 -0.779 2.513 1.00 0.00 O ATOM 493 CB TRP A 32 -6.672 1.422 3.377 1.00 0.00 C ATOM 494 CG TRP A 32 -5.533 2.271 2.952 1.00 0.00 C ATOM 495 CD1 TRP A 32 -5.585 3.610 2.814 1.00 0.00 C ATOM 496 CD2 TRP A 32 -4.183 1.868 2.616 1.00 0.00 C ATOM 497 NE1 TRP A 32 -4.347 4.060 2.402 1.00 0.00 N ATOM 498 CE2 TRP A 32 -3.445 3.020 2.271 1.00 0.00 C ATOM 499 CE3 TRP A 32 -3.536 0.625 2.575 1.00 0.00 C ATOM 500 CZ2 TRP A 32 -2.105 2.940 1.901 1.00 0.00 C ATOM 501 CZ3 TRP A 32 -2.188 0.541 2.198 1.00 0.00 C ATOM 502 CH2 TRP A 32 -1.474 1.695 1.865 1.00 0.00 C ATOM 0 H TRP A 32 -8.714 3.094 3.337 1.00 0.00 H new ATOM 0 HA TRP A 32 -7.379 1.356 1.329 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -7.046 1.753 4.346 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -6.346 0.389 3.497 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -6.451 4.229 2.996 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -4.125 5.038 2.217 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -4.078 -0.272 2.835 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -1.558 3.835 1.644 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -1.699 -0.421 2.165 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -0.435 1.624 1.580 1.00 0.00 H new ATOM 513 N SER A 33 -10.030 0.798 2.929 1.00 0.00 N ATOM 514 CA SER A 33 -11.077 -0.170 3.217 1.00 0.00 C ATOM 515 C SER A 33 -11.399 -1.017 1.990 1.00 0.00 C ATOM 516 O SER A 33 -12.193 -1.954 2.072 1.00 0.00 O ATOM 517 CB SER A 33 -12.338 0.558 3.669 1.00 0.00 C ATOM 518 OG SER A 33 -12.063 1.286 4.858 1.00 0.00 O ATOM 0 H SER A 33 -10.319 1.773 3.007 1.00 0.00 H new ATOM 0 HA SER A 33 -10.720 -0.829 4.009 1.00 0.00 H new ATOM 0 HB2 SER A 33 -12.681 1.235 2.886 1.00 0.00 H new ATOM 0 HB3 SER A 33 -13.141 -0.158 3.845 1.00 0.00 H new ATOM 0 HG SER A 33 -12.383 0.779 5.633 1.00 0.00 H new ATOM 524 N SER A 34 -10.799 -0.683 0.847 1.00 0.00 N ATOM 525 CA SER A 34 -11.057 -1.427 -0.386 1.00 0.00 C ATOM 526 C SER A 34 -10.037 -2.541 -0.597 1.00 0.00 C ATOM 527 O SER A 34 -10.316 -3.522 -1.285 1.00 0.00 O ATOM 528 CB SER A 34 -10.992 -0.475 -1.579 1.00 0.00 C ATOM 529 OG SER A 34 -11.895 0.601 -1.367 1.00 0.00 O ATOM 0 H SER A 34 -10.139 0.088 0.749 1.00 0.00 H new ATOM 0 HA SER A 34 -12.047 -1.875 -0.301 1.00 0.00 H new ATOM 0 HB2 SER A 34 -9.978 -0.095 -1.702 1.00 0.00 H new ATOM 0 HB3 SER A 34 -11.248 -1.005 -2.497 1.00 0.00 H new ATOM 0 HG SER A 34 -11.856 1.216 -2.129 1.00 0.00 H new ATOM 535 N GLY A 35 -8.846 -2.377 -0.032 1.00 0.00 N ATOM 536 CA GLY A 35 -7.796 -3.372 -0.211 1.00 0.00 C ATOM 537 C GLY A 35 -7.136 -3.153 -1.563 1.00 0.00 C ATOM 538 O GLY A 35 -6.045 -3.655 -1.839 1.00 0.00 O ATOM 0 H GLY A 35 -8.586 -1.577 0.545 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.058 -3.289 0.587 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -8.215 -4.377 -0.154 1.00 0.00 H new ATOM 542 N MET A 36 -7.823 -2.377 -2.392 1.00 0.00 N ATOM 543 CA MET A 36 -7.345 -2.047 -3.721 1.00 0.00 C ATOM 544 C MET A 36 -6.028 -1.281 -3.632 1.00 0.00 C ATOM 545 O MET A 36 -5.203 -1.339 -4.542 1.00 0.00 O ATOM 546 CB MET A 36 -8.398 -1.193 -4.438 1.00 0.00 C ATOM 547 CG MET A 36 -9.650 -2.031 -4.708 1.00 0.00 C ATOM 548 SD MET A 36 -10.952 -0.969 -5.381 1.00 0.00 S ATOM 549 CE MET A 36 -11.787 -2.232 -6.369 1.00 0.00 C ATOM 0 H MET A 36 -8.725 -1.961 -2.159 1.00 0.00 H new ATOM 0 HA MET A 36 -7.176 -2.966 -4.282 1.00 0.00 H new ATOM 0 HB2 MET A 36 -8.654 -0.327 -3.828 1.00 0.00 H new ATOM 0 HB3 MET A 36 -7.994 -0.814 -5.377 1.00 0.00 H new ATOM 0 HG2 MET A 36 -9.420 -2.832 -5.410 1.00 0.00 H new ATOM 0 HG3 MET A 36 -9.991 -2.503 -3.786 1.00 0.00 H new ATOM 0 HE1 MET A 36 -12.278 -1.762 -7.221 1.00 0.00 H new ATOM 0 HE2 MET A 36 -11.056 -2.957 -6.726 1.00 0.00 H new ATOM 0 HE3 MET A 36 -12.532 -2.740 -5.756 1.00 0.00 H new ATOM 559 N ALA A 37 -5.847 -0.549 -2.535 1.00 0.00 N ATOM 560 CA ALA A 37 -4.629 0.234 -2.350 1.00 0.00 C ATOM 561 C ALA A 37 -3.403 -0.664 -2.165 1.00 0.00 C ATOM 562 O ALA A 37 -2.381 -0.467 -2.823 1.00 0.00 O ATOM 563 CB ALA A 37 -4.784 1.162 -1.146 1.00 0.00 C ATOM 0 H ALA A 37 -6.519 -0.482 -1.770 1.00 0.00 H new ATOM 0 HA ALA A 37 -4.474 0.828 -3.251 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -3.871 1.743 -1.014 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -5.623 1.837 -1.313 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -4.969 0.569 -0.251 1.00 0.00 H new ATOM 569 N PHE A 38 -3.493 -1.636 -1.256 1.00 0.00 N ATOM 570 CA PHE A 38 -2.360 -2.531 -1.003 1.00 0.00 C ATOM 571 C PHE A 38 -1.946 -3.270 -2.277 1.00 0.00 C ATOM 572 O PHE A 38 -0.759 -3.383 -2.576 1.00 0.00 O ATOM 573 CB PHE A 38 -2.718 -3.552 0.112 1.00 0.00 C ATOM 574 CG PHE A 38 -2.187 -3.075 1.450 1.00 0.00 C ATOM 575 CD1 PHE A 38 -0.804 -2.961 1.637 1.00 0.00 C ATOM 576 CD2 PHE A 38 -3.064 -2.757 2.494 1.00 0.00 C ATOM 577 CE1 PHE A 38 -0.296 -2.527 2.867 1.00 0.00 C ATOM 578 CE2 PHE A 38 -2.553 -2.323 3.727 1.00 0.00 C ATOM 579 CZ PHE A 38 -1.170 -2.209 3.909 1.00 0.00 C ATOM 0 H PHE A 38 -4.322 -1.823 -0.691 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.518 -1.923 -0.673 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -3.799 -3.678 0.166 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.295 -4.527 -0.129 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -0.129 -3.208 0.831 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -4.131 -2.845 2.351 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.771 -2.438 3.010 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -3.226 -2.077 4.535 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.778 -1.874 4.858 1.00 0.00 H new ATOM 589 N CYS A 39 -2.922 -3.785 -3.009 1.00 0.00 N ATOM 590 CA CYS A 39 -2.624 -4.521 -4.232 1.00 0.00 C ATOM 591 C CYS A 39 -2.090 -3.586 -5.318 1.00 0.00 C ATOM 592 O CYS A 39 -1.104 -3.896 -5.987 1.00 0.00 O ATOM 593 CB CYS A 39 -3.892 -5.219 -4.736 1.00 0.00 C ATOM 594 SG CYS A 39 -4.110 -6.781 -3.854 1.00 0.00 S ATOM 0 H CYS A 39 -3.914 -3.710 -2.784 1.00 0.00 H new ATOM 0 HA CYS A 39 -1.858 -5.263 -4.007 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -4.759 -4.577 -4.581 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -3.818 -5.402 -5.808 1.00 0.00 H new ATOM 0 HG CYS A 39 -5.091 -7.447 -4.387 1.00 0.00 H new ATOM 600 N ALA A 40 -2.774 -2.461 -5.499 1.00 0.00 N ATOM 601 CA ALA A 40 -2.408 -1.488 -6.521 1.00 0.00 C ATOM 602 C ALA A 40 -1.022 -0.889 -6.284 1.00 0.00 C ATOM 603 O ALA A 40 -0.248 -0.712 -7.222 1.00 0.00 O ATOM 604 CB ALA A 40 -3.445 -0.367 -6.526 1.00 0.00 C ATOM 0 H ALA A 40 -3.591 -2.200 -4.946 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.382 -2.004 -7.481 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.182 0.368 -7.287 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.428 -0.782 -6.746 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -3.465 0.114 -5.548 1.00 0.00 H new ATOM 610 N LEU A 41 -0.726 -0.565 -5.034 1.00 0.00 N ATOM 611 CA LEU A 41 0.562 0.033 -4.688 1.00 0.00 C ATOM 612 C LEU A 41 1.709 -0.937 -4.987 1.00 0.00 C ATOM 613 O LEU A 41 2.738 -0.549 -5.541 1.00 0.00 O ATOM 614 CB LEU A 41 0.535 0.412 -3.203 1.00 0.00 C ATOM 615 CG LEU A 41 1.866 1.034 -2.762 1.00 0.00 C ATOM 616 CD1 LEU A 41 2.161 2.306 -3.576 1.00 0.00 C ATOM 617 CD2 LEU A 41 1.767 1.387 -1.274 1.00 0.00 C ATOM 0 H LEU A 41 -1.355 -0.704 -4.243 1.00 0.00 H new ATOM 0 HA LEU A 41 0.730 0.926 -5.291 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.276 1.117 -3.020 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.329 -0.474 -2.603 1.00 0.00 H new ATOM 0 HG LEU A 41 2.675 0.323 -2.931 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.109 2.735 -3.250 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.221 2.055 -4.635 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.362 3.031 -3.420 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.706 1.831 -0.942 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.955 2.098 -1.122 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.570 0.483 -0.698 1.00 0.00 H new ATOM 629 N ILE A 42 1.518 -2.200 -4.618 1.00 0.00 N ATOM 630 CA ILE A 42 2.527 -3.234 -4.851 1.00 0.00 C ATOM 631 C ILE A 42 2.703 -3.531 -6.344 1.00 0.00 C ATOM 632 O ILE A 42 3.823 -3.698 -6.824 1.00 0.00 O ATOM 633 CB ILE A 42 2.107 -4.514 -4.092 1.00 0.00 C ATOM 634 CG1 ILE A 42 2.468 -4.384 -2.597 1.00 0.00 C ATOM 635 CG2 ILE A 42 2.774 -5.767 -4.686 1.00 0.00 C ATOM 636 CD1 ILE A 42 3.950 -4.747 -2.347 1.00 0.00 C ATOM 0 H ILE A 42 0.673 -2.535 -4.155 1.00 0.00 H new ATOM 0 HA ILE A 42 3.488 -2.876 -4.483 1.00 0.00 H new ATOM 0 HB ILE A 42 1.028 -4.626 -4.197 1.00 0.00 H new ATOM 0 HG12 ILE A 42 2.279 -3.364 -2.262 1.00 0.00 H new ATOM 0 HG13 ILE A 42 1.826 -5.038 -2.007 1.00 0.00 H new ATOM 0 HG21 ILE A 42 2.456 -6.648 -4.128 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.482 -5.874 -5.731 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.858 -5.668 -4.621 1.00 0.00 H new ATOM 0 HD11 ILE A 42 4.175 -4.646 -1.285 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.131 -5.775 -2.660 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.591 -4.076 -2.919 1.00 0.00 H new ATOM 648 N HIS A 43 1.587 -3.630 -7.055 1.00 0.00 N ATOM 649 CA HIS A 43 1.613 -3.942 -8.482 1.00 0.00 C ATOM 650 C HIS A 43 2.441 -2.920 -9.258 1.00 0.00 C ATOM 651 O HIS A 43 2.665 -3.067 -10.462 1.00 0.00 O ATOM 652 CB HIS A 43 0.180 -3.960 -9.017 1.00 0.00 C ATOM 653 CG HIS A 43 0.175 -4.344 -10.472 1.00 0.00 C ATOM 654 ND1 HIS A 43 -0.158 -3.450 -11.472 1.00 0.00 N ATOM 655 CD2 HIS A 43 0.445 -5.528 -11.106 1.00 0.00 C ATOM 656 CE1 HIS A 43 -0.086 -4.101 -12.645 1.00 0.00 C ATOM 657 NE2 HIS A 43 0.279 -5.375 -12.480 1.00 0.00 N ATOM 0 H HIS A 43 0.652 -3.499 -6.669 1.00 0.00 H new ATOM 0 HA HIS A 43 2.076 -4.920 -8.615 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -0.421 -4.666 -8.445 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -0.276 -2.978 -8.891 1.00 0.00 H new ATOM 0 HD2 HIS A 43 0.742 -6.442 -10.614 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -0.297 -3.650 -13.603 1.00 0.00 H new ATOM 0 HE2 HIS A 43 0.408 -6.082 -13.203 1.00 0.00 H new ATOM 665 N LYS A 44 2.888 -1.884 -8.559 1.00 0.00 N ATOM 666 CA LYS A 44 3.685 -0.827 -9.183 1.00 0.00 C ATOM 667 C LYS A 44 5.173 -1.200 -9.219 1.00 0.00 C ATOM 668 O LYS A 44 5.897 -0.853 -10.150 1.00 0.00 O ATOM 669 CB LYS A 44 3.511 0.485 -8.391 1.00 0.00 C ATOM 670 CG LYS A 44 3.538 1.695 -9.334 1.00 0.00 C ATOM 671 CD LYS A 44 4.817 1.688 -10.175 1.00 0.00 C ATOM 672 CE LYS A 44 5.000 3.051 -10.835 1.00 0.00 C ATOM 673 NZ LYS A 44 6.215 3.021 -11.693 1.00 0.00 N ATOM 0 H LYS A 44 2.715 -1.750 -7.563 1.00 0.00 H new ATOM 0 HA LYS A 44 3.336 -0.699 -10.208 1.00 0.00 H new ATOM 0 HB2 LYS A 44 2.568 0.464 -7.845 1.00 0.00 H new ATOM 0 HB3 LYS A 44 4.306 0.577 -7.651 1.00 0.00 H new ATOM 0 HG2 LYS A 44 2.666 1.674 -9.987 1.00 0.00 H new ATOM 0 HG3 LYS A 44 3.481 2.617 -8.755 1.00 0.00 H new ATOM 0 HD2 LYS A 44 5.677 1.458 -9.546 1.00 0.00 H new ATOM 0 HD3 LYS A 44 4.761 0.909 -10.935 1.00 0.00 H new ATOM 0 HE2 LYS A 44 4.124 3.299 -11.434 1.00 0.00 H new ATOM 0 HE3 LYS A 44 5.096 3.826 -10.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 6.344 3.949 -12.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 7.047 2.802 -11.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 6.105 2.291 -12.426 1.00 0.00 H new ATOM 687 N PHE A 45 5.625 -1.880 -8.175 1.00 0.00 N ATOM 688 CA PHE A 45 7.030 -2.264 -8.063 1.00 0.00 C ATOM 689 C PHE A 45 7.315 -3.591 -8.764 1.00 0.00 C ATOM 690 O PHE A 45 8.390 -3.782 -9.331 1.00 0.00 O ATOM 691 CB PHE A 45 7.404 -2.372 -6.577 1.00 0.00 C ATOM 692 CG PHE A 45 6.625 -1.347 -5.771 1.00 0.00 C ATOM 693 CD1 PHE A 45 6.422 -0.048 -6.267 1.00 0.00 C ATOM 694 CD2 PHE A 45 6.105 -1.704 -4.522 1.00 0.00 C ATOM 695 CE1 PHE A 45 5.702 0.888 -5.506 1.00 0.00 C ATOM 696 CE2 PHE A 45 5.387 -0.771 -3.768 1.00 0.00 C ATOM 697 CZ PHE A 45 5.187 0.525 -4.260 1.00 0.00 C ATOM 0 H PHE A 45 5.042 -2.178 -7.393 1.00 0.00 H new ATOM 0 HA PHE A 45 7.632 -1.498 -8.552 1.00 0.00 H new ATOM 0 HB2 PHE A 45 7.188 -3.376 -6.211 1.00 0.00 H new ATOM 0 HB3 PHE A 45 8.474 -2.210 -6.450 1.00 0.00 H new ATOM 0 HD1 PHE A 45 6.819 0.230 -7.232 1.00 0.00 H new ATOM 0 HD2 PHE A 45 6.259 -2.702 -4.140 1.00 0.00 H new ATOM 0 HE1 PHE A 45 5.547 1.888 -5.884 1.00 0.00 H new ATOM 0 HE2 PHE A 45 4.986 -1.050 -2.805 1.00 0.00 H new ATOM 0 HZ PHE A 45 4.634 1.245 -3.675 1.00 0.00 H new ATOM 707 N PHE A 46 6.362 -4.515 -8.693 1.00 0.00 N ATOM 708 CA PHE A 46 6.530 -5.839 -9.294 1.00 0.00 C ATOM 709 C PHE A 46 5.428 -6.133 -10.327 1.00 0.00 C ATOM 710 O PHE A 46 4.290 -6.401 -9.944 1.00 0.00 O ATOM 711 CB PHE A 46 6.485 -6.862 -8.168 1.00 0.00 C ATOM 712 CG PHE A 46 7.430 -6.409 -7.082 1.00 0.00 C ATOM 713 CD1 PHE A 46 8.799 -6.323 -7.346 1.00 0.00 C ATOM 714 CD2 PHE A 46 6.939 -6.068 -5.817 1.00 0.00 C ATOM 715 CE1 PHE A 46 9.676 -5.896 -6.349 1.00 0.00 C ATOM 716 CE2 PHE A 46 7.816 -5.641 -4.818 1.00 0.00 C ATOM 717 CZ PHE A 46 9.182 -5.554 -5.082 1.00 0.00 C ATOM 0 H PHE A 46 5.466 -4.374 -8.227 1.00 0.00 H new ATOM 0 HA PHE A 46 7.481 -5.885 -9.824 1.00 0.00 H new ATOM 0 HB2 PHE A 46 5.472 -6.953 -7.777 1.00 0.00 H new ATOM 0 HB3 PHE A 46 6.773 -7.846 -8.537 1.00 0.00 H new ATOM 0 HD1 PHE A 46 9.178 -6.587 -8.322 1.00 0.00 H new ATOM 0 HD2 PHE A 46 5.881 -6.135 -5.613 1.00 0.00 H new ATOM 0 HE1 PHE A 46 10.734 -5.829 -6.553 1.00 0.00 H new ATOM 0 HE2 PHE A 46 7.436 -5.378 -3.842 1.00 0.00 H new ATOM 0 HZ PHE A 46 9.861 -5.223 -4.310 1.00 0.00 H new ATOM 727 N PRO A 47 5.719 -6.090 -11.623 1.00 0.00 N ATOM 728 CA PRO A 47 4.691 -6.369 -12.675 1.00 0.00 C ATOM 729 C PRO A 47 4.344 -7.856 -12.747 1.00 0.00 C ATOM 730 O PRO A 47 3.197 -8.228 -13.001 1.00 0.00 O ATOM 731 CB PRO A 47 5.334 -5.892 -13.999 1.00 0.00 C ATOM 732 CG PRO A 47 6.696 -5.353 -13.652 1.00 0.00 C ATOM 733 CD PRO A 47 7.028 -5.793 -12.228 1.00 0.00 C ATOM 0 HA PRO A 47 3.753 -5.857 -12.461 1.00 0.00 H new ATOM 0 HB2 PRO A 47 5.414 -6.715 -14.709 1.00 0.00 H new ATOM 0 HB3 PRO A 47 4.722 -5.123 -14.471 1.00 0.00 H new ATOM 0 HG2 PRO A 47 7.444 -5.728 -14.351 1.00 0.00 H new ATOM 0 HG3 PRO A 47 6.706 -4.266 -13.727 1.00 0.00 H new ATOM 0 HD2 PRO A 47 7.676 -6.669 -12.224 1.00 0.00 H new ATOM 0 HD3 PRO A 47 7.550 -5.008 -11.681 1.00 0.00 H new ATOM 741 N GLU A 48 5.345 -8.694 -12.503 1.00 0.00 N ATOM 742 CA GLU A 48 5.143 -10.135 -12.527 1.00 0.00 C ATOM 743 C GLU A 48 4.348 -10.542 -11.293 1.00 0.00 C ATOM 744 O GLU A 48 4.282 -11.717 -10.929 1.00 0.00 O ATOM 745 CB GLU A 48 6.500 -10.852 -12.559 1.00 0.00 C ATOM 746 CG GLU A 48 7.175 -10.611 -13.915 1.00 0.00 C ATOM 747 CD GLU A 48 8.573 -11.227 -13.928 1.00 0.00 C ATOM 748 OE1 GLU A 48 8.914 -11.891 -12.963 1.00 0.00 O ATOM 749 OE2 GLU A 48 9.282 -11.022 -14.900 1.00 0.00 O ATOM 0 H GLU A 48 6.298 -8.402 -12.288 1.00 0.00 H new ATOM 0 HA GLU A 48 4.587 -10.419 -13.421 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.136 -10.485 -11.754 1.00 0.00 H new ATOM 0 HB3 GLU A 48 6.362 -11.921 -12.394 1.00 0.00 H new ATOM 0 HG2 GLU A 48 6.571 -11.045 -14.712 1.00 0.00 H new ATOM 0 HG3 GLU A 48 7.240 -9.541 -14.112 1.00 0.00 H new ATOM 756 N ALA A 49 3.758 -9.534 -10.658 1.00 0.00 N ATOM 757 CA ALA A 49 2.961 -9.734 -9.451 1.00 0.00 C ATOM 758 C ALA A 49 1.621 -10.373 -9.767 1.00 0.00 C ATOM 759 O ALA A 49 1.410 -11.564 -9.554 1.00 0.00 O ATOM 760 CB ALA A 49 2.694 -8.381 -8.789 1.00 0.00 C ATOM 0 H ALA A 49 3.818 -8.562 -10.962 1.00 0.00 H new ATOM 0 HA ALA A 49 3.523 -10.394 -8.790 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.099 -8.528 -7.888 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.642 -7.911 -8.526 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.151 -7.738 -9.481 1.00 0.00 H new ATOM 766 N PHE A 50 0.723 -9.554 -10.293 1.00 0.00 N ATOM 767 CA PHE A 50 -0.602 -10.004 -10.659 1.00 0.00 C ATOM 768 C PHE A 50 -1.301 -8.932 -11.481 1.00 0.00 C ATOM 769 O PHE A 50 -0.913 -7.766 -11.462 1.00 0.00 O ATOM 770 CB PHE A 50 -1.426 -10.314 -9.404 1.00 0.00 C ATOM 771 CG PHE A 50 -1.219 -9.226 -8.370 1.00 0.00 C ATOM 772 CD1 PHE A 50 -1.869 -7.991 -8.510 1.00 0.00 C ATOM 773 CD2 PHE A 50 -0.383 -9.455 -7.271 1.00 0.00 C ATOM 774 CE1 PHE A 50 -1.678 -6.987 -7.549 1.00 0.00 C ATOM 775 CE2 PHE A 50 -0.193 -8.450 -6.310 1.00 0.00 C ATOM 776 CZ PHE A 50 -0.840 -7.218 -6.451 1.00 0.00 C ATOM 0 H PHE A 50 0.895 -8.565 -10.475 1.00 0.00 H new ATOM 0 HA PHE A 50 -0.511 -10.914 -11.253 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.483 -10.387 -9.661 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.130 -11.279 -8.993 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.516 -7.813 -9.357 1.00 0.00 H new ATOM 0 HD2 PHE A 50 0.117 -10.406 -7.162 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -2.177 -6.035 -7.656 1.00 0.00 H new ATOM 0 HE2 PHE A 50 0.452 -8.628 -5.462 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.693 -6.444 -5.712 1.00 0.00 H new ATOM 786 N ASP A 51 -2.350 -9.325 -12.181 1.00 0.00 N ATOM 787 CA ASP A 51 -3.113 -8.381 -12.985 1.00 0.00 C ATOM 788 C ASP A 51 -4.123 -7.658 -12.099 1.00 0.00 C ATOM 789 O ASP A 51 -5.190 -8.186 -11.799 1.00 0.00 O ATOM 790 CB ASP A 51 -3.848 -9.118 -14.108 1.00 0.00 C ATOM 791 CG ASP A 51 -2.862 -9.565 -15.181 1.00 0.00 C ATOM 792 OD1 ASP A 51 -1.755 -9.052 -15.194 1.00 0.00 O ATOM 793 OD2 ASP A 51 -3.231 -10.410 -15.980 1.00 0.00 O ATOM 0 H ASP A 51 -2.693 -10.285 -12.211 1.00 0.00 H new ATOM 0 HA ASP A 51 -2.430 -7.656 -13.427 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -4.372 -9.984 -13.702 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -4.603 -8.466 -14.547 1.00 0.00 H new ATOM 798 N TYR A 52 -3.768 -6.454 -11.659 1.00 0.00 N ATOM 799 CA TYR A 52 -4.640 -5.670 -10.792 1.00 0.00 C ATOM 800 C TYR A 52 -5.928 -5.308 -11.502 1.00 0.00 C ATOM 801 O TYR A 52 -6.936 -5.006 -10.866 1.00 0.00 O ATOM 802 CB TYR A 52 -3.926 -4.382 -10.378 1.00 0.00 C ATOM 803 CG TYR A 52 -4.887 -3.461 -9.651 1.00 0.00 C ATOM 804 CD1 TYR A 52 -5.150 -3.651 -8.290 1.00 0.00 C ATOM 805 CD2 TYR A 52 -5.523 -2.424 -10.347 1.00 0.00 C ATOM 806 CE1 TYR A 52 -6.046 -2.804 -7.625 1.00 0.00 C ATOM 807 CE2 TYR A 52 -6.419 -1.577 -9.681 1.00 0.00 C ATOM 808 CZ TYR A 52 -6.679 -1.769 -8.321 1.00 0.00 C ATOM 809 OH TYR A 52 -7.563 -0.935 -7.665 1.00 0.00 O ATOM 0 H TYR A 52 -2.883 -6.001 -11.889 1.00 0.00 H new ATOM 0 HA TYR A 52 -4.877 -6.272 -9.915 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -3.079 -4.618 -9.734 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -3.526 -3.880 -11.259 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -4.662 -4.451 -7.752 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -5.322 -2.277 -11.398 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -6.248 -2.950 -6.574 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -6.908 -0.777 -10.218 1.00 0.00 H new ATOM 0 HH TYR A 52 -8.396 -0.872 -8.178 1.00 0.00 H new ATOM 819 N ALA A 53 -5.886 -5.335 -12.820 1.00 0.00 N ATOM 820 CA ALA A 53 -7.058 -5.003 -13.613 1.00 0.00 C ATOM 821 C ALA A 53 -8.018 -6.183 -13.675 1.00 0.00 C ATOM 822 O ALA A 53 -9.178 -6.030 -14.057 1.00 0.00 O ATOM 823 CB ALA A 53 -6.626 -4.614 -15.024 1.00 0.00 C ATOM 0 H ALA A 53 -5.059 -5.582 -13.364 1.00 0.00 H new ATOM 0 HA ALA A 53 -7.572 -4.165 -13.143 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -7.505 -4.365 -15.618 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -5.964 -3.750 -14.976 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -6.100 -5.449 -15.487 1.00 0.00 H new ATOM 829 N GLU A 54 -7.529 -7.366 -13.301 1.00 0.00 N ATOM 830 CA GLU A 54 -8.338 -8.569 -13.314 1.00 0.00 C ATOM 831 C GLU A 54 -9.031 -8.763 -11.975 1.00 0.00 C ATOM 832 O GLU A 54 -9.913 -9.613 -11.841 1.00 0.00 O ATOM 833 CB GLU A 54 -7.434 -9.767 -13.586 1.00 0.00 C ATOM 834 CG GLU A 54 -7.083 -9.839 -15.074 1.00 0.00 C ATOM 835 CD GLU A 54 -8.322 -10.191 -15.891 1.00 0.00 C ATOM 836 OE1 GLU A 54 -9.333 -10.509 -15.287 1.00 0.00 O ATOM 837 OE2 GLU A 54 -8.241 -10.140 -17.107 1.00 0.00 O ATOM 0 H GLU A 54 -6.570 -7.509 -12.985 1.00 0.00 H new ATOM 0 HA GLU A 54 -9.097 -8.478 -14.091 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -6.523 -9.686 -12.994 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -7.933 -10.686 -13.278 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -6.679 -8.883 -15.406 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -6.307 -10.587 -15.236 1.00 0.00 H new ATOM 844 N LEU A 55 -8.615 -7.990 -10.978 1.00 0.00 N ATOM 845 CA LEU A 55 -9.193 -8.104 -9.645 1.00 0.00 C ATOM 846 C LEU A 55 -10.452 -7.258 -9.527 1.00 0.00 C ATOM 847 O LEU A 55 -10.592 -6.233 -10.199 1.00 0.00 O ATOM 848 CB LEU A 55 -8.154 -7.650 -8.626 1.00 0.00 C ATOM 849 CG LEU A 55 -6.960 -8.627 -8.644 1.00 0.00 C ATOM 850 CD1 LEU A 55 -5.796 -8.055 -7.812 1.00 0.00 C ATOM 851 CD2 LEU A 55 -7.382 -10.003 -8.079 1.00 0.00 C ATOM 0 H LEU A 55 -7.885 -7.283 -11.066 1.00 0.00 H new ATOM 0 HA LEU A 55 -9.472 -9.141 -9.457 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -7.816 -6.640 -8.860 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -8.596 -7.616 -7.630 1.00 0.00 H new ATOM 0 HG LEU A 55 -6.632 -8.756 -9.676 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.958 -8.752 -7.831 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.483 -7.100 -8.233 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.122 -7.908 -6.782 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.529 -10.681 -8.098 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -7.728 -9.884 -7.052 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -8.187 -10.415 -8.688 1.00 0.00 H new ATOM 863 N ASP A 56 -11.371 -7.706 -8.673 1.00 0.00 N ATOM 864 CA ASP A 56 -12.636 -7.005 -8.463 1.00 0.00 C ATOM 865 C ASP A 56 -12.825 -6.686 -6.969 1.00 0.00 C ATOM 866 O ASP A 56 -12.111 -7.231 -6.126 1.00 0.00 O ATOM 867 CB ASP A 56 -13.788 -7.906 -8.965 1.00 0.00 C ATOM 868 CG ASP A 56 -14.122 -7.597 -10.423 1.00 0.00 C ATOM 869 OD1 ASP A 56 -13.257 -7.080 -11.112 1.00 0.00 O ATOM 870 OD2 ASP A 56 -15.237 -7.878 -10.825 1.00 0.00 O ATOM 0 H ASP A 56 -11.263 -8.553 -8.115 1.00 0.00 H new ATOM 0 HA ASP A 56 -12.634 -6.065 -9.015 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -13.506 -8.954 -8.866 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -14.671 -7.754 -8.345 1.00 0.00 H new ATOM 875 N PRO A 57 -13.775 -5.839 -6.622 1.00 0.00 N ATOM 876 CA PRO A 57 -14.041 -5.482 -5.200 1.00 0.00 C ATOM 877 C PRO A 57 -14.764 -6.626 -4.502 1.00 0.00 C ATOM 878 O PRO A 57 -15.004 -6.598 -3.299 1.00 0.00 O ATOM 879 CB PRO A 57 -14.922 -4.211 -5.263 1.00 0.00 C ATOM 880 CG PRO A 57 -15.147 -3.913 -6.724 1.00 0.00 C ATOM 881 CD PRO A 57 -14.702 -5.140 -7.524 1.00 0.00 C ATOM 0 HA PRO A 57 -13.127 -5.303 -4.633 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -15.870 -4.371 -4.750 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -14.430 -3.374 -4.768 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -16.198 -3.695 -6.912 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -14.579 -3.033 -7.027 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -15.550 -5.771 -7.791 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -14.212 -4.853 -8.455 1.00 0.00 H new ATOM 889 N ALA A 58 -15.129 -7.620 -5.292 1.00 0.00 N ATOM 890 CA ALA A 58 -15.831 -8.787 -4.776 1.00 0.00 C ATOM 891 C ALA A 58 -14.875 -9.669 -3.980 1.00 0.00 C ATOM 892 O ALA A 58 -15.197 -10.137 -2.887 1.00 0.00 O ATOM 893 CB ALA A 58 -16.402 -9.595 -5.945 1.00 0.00 C ATOM 0 H ALA A 58 -14.951 -7.644 -6.296 1.00 0.00 H new ATOM 0 HA ALA A 58 -16.638 -8.453 -4.123 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -16.928 -10.469 -5.561 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -17.096 -8.974 -6.512 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -15.589 -9.918 -6.596 1.00 0.00 H new ATOM 899 N LYS A 59 -13.701 -9.902 -4.561 1.00 0.00 N ATOM 900 CA LYS A 59 -12.683 -10.752 -3.945 1.00 0.00 C ATOM 901 C LYS A 59 -11.679 -9.925 -3.134 1.00 0.00 C ATOM 902 O LYS A 59 -10.484 -9.927 -3.426 1.00 0.00 O ATOM 903 CB LYS A 59 -11.941 -11.513 -5.050 1.00 0.00 C ATOM 904 CG LYS A 59 -12.935 -12.302 -5.921 1.00 0.00 C ATOM 905 CD LYS A 59 -13.357 -13.595 -5.212 1.00 0.00 C ATOM 906 CE LYS A 59 -14.221 -14.435 -6.155 1.00 0.00 C ATOM 907 NZ LYS A 59 -13.405 -14.853 -7.329 1.00 0.00 N ATOM 0 H LYS A 59 -13.429 -9.512 -5.463 1.00 0.00 H new ATOM 0 HA LYS A 59 -13.175 -11.446 -3.264 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -11.382 -10.812 -5.670 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -11.216 -12.195 -4.606 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -13.813 -11.690 -6.128 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -12.478 -12.539 -6.882 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -12.476 -14.160 -4.909 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -13.913 -13.360 -4.304 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -14.603 -15.312 -5.632 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -15.085 -13.859 -6.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -13.803 -15.723 -7.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -13.416 -14.099 -8.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -12.426 -15.029 -7.026 1.00 0.00 H new ATOM 921 N ARG A 60 -12.172 -9.225 -2.116 1.00 0.00 N ATOM 922 CA ARG A 60 -11.304 -8.407 -1.267 1.00 0.00 C ATOM 923 C ARG A 60 -10.348 -9.258 -0.426 1.00 0.00 C ATOM 924 O ARG A 60 -9.161 -8.955 -0.333 1.00 0.00 O ATOM 925 CB ARG A 60 -12.161 -7.528 -0.351 1.00 0.00 C ATOM 926 CG ARG A 60 -12.729 -6.363 -1.159 1.00 0.00 C ATOM 927 CD ARG A 60 -13.806 -5.646 -0.348 1.00 0.00 C ATOM 928 NE ARG A 60 -14.985 -6.500 -0.219 1.00 0.00 N ATOM 929 CZ ARG A 60 -15.769 -6.440 0.854 1.00 0.00 C ATOM 930 NH1 ARG A 60 -16.266 -5.296 1.232 1.00 0.00 N ATOM 931 NH2 ARG A 60 -16.036 -7.525 1.526 1.00 0.00 N ATOM 0 H ARG A 60 -13.159 -9.206 -1.858 1.00 0.00 H new ATOM 0 HA ARG A 60 -10.695 -7.783 -1.921 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -12.971 -8.115 0.082 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -11.561 -7.153 0.478 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -11.932 -5.666 -1.418 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -13.150 -6.729 -2.096 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -13.421 -5.392 0.640 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -14.077 -4.709 -0.835 1.00 0.00 H new ATOM 0 HE ARG A 60 -15.211 -7.155 -0.967 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -16.054 -4.449 0.705 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -16.867 -5.248 2.054 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -15.644 -8.418 1.229 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -16.637 -7.480 2.349 1.00 0.00 H new ATOM 945 N ARG A 61 -10.865 -10.309 0.198 1.00 0.00 N ATOM 946 CA ARG A 61 -10.024 -11.159 1.040 1.00 0.00 C ATOM 947 C ARG A 61 -8.776 -11.578 0.289 1.00 0.00 C ATOM 948 O ARG A 61 -7.655 -11.422 0.775 1.00 0.00 O ATOM 949 CB ARG A 61 -10.794 -12.410 1.432 1.00 0.00 C ATOM 950 CG ARG A 61 -9.962 -13.258 2.394 1.00 0.00 C ATOM 951 CD ARG A 61 -10.768 -14.484 2.826 1.00 0.00 C ATOM 952 NE ARG A 61 -11.892 -14.081 3.664 1.00 0.00 N ATOM 953 CZ ARG A 61 -12.809 -14.961 4.057 1.00 0.00 C ATOM 954 NH1 ARG A 61 -12.468 -15.958 4.827 1.00 0.00 N ATOM 955 NH2 ARG A 61 -14.049 -14.827 3.672 1.00 0.00 N ATOM 0 H ARG A 61 -11.843 -10.592 0.141 1.00 0.00 H new ATOM 0 HA ARG A 61 -9.742 -10.593 1.928 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -11.738 -12.133 1.902 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -11.039 -12.990 0.542 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -9.036 -13.571 1.911 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -9.683 -12.668 3.267 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -11.133 -15.016 1.947 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -10.127 -15.175 3.373 1.00 0.00 H new ATOM 0 HE ARG A 61 -11.976 -13.107 3.954 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -11.499 -16.062 5.127 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -13.171 -16.633 5.129 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -14.315 -14.048 3.070 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -14.752 -15.502 3.973 1.00 0.00 H new ATOM 969 N HIS A 62 -8.989 -12.113 -0.898 1.00 0.00 N ATOM 970 CA HIS A 62 -7.898 -12.568 -1.730 1.00 0.00 C ATOM 971 C HIS A 62 -6.966 -11.410 -2.082 1.00 0.00 C ATOM 972 O HIS A 62 -5.759 -11.589 -2.210 1.00 0.00 O ATOM 973 CB HIS A 62 -8.469 -13.181 -3.010 1.00 0.00 C ATOM 974 CG HIS A 62 -9.051 -14.539 -2.712 1.00 0.00 C ATOM 975 ND1 HIS A 62 -8.428 -15.713 -3.106 1.00 0.00 N ATOM 976 CD2 HIS A 62 -10.195 -14.924 -2.058 1.00 0.00 C ATOM 977 CE1 HIS A 62 -9.196 -16.738 -2.692 1.00 0.00 C ATOM 978 NE2 HIS A 62 -10.284 -16.313 -2.046 1.00 0.00 N ATOM 0 H HIS A 62 -9.914 -12.243 -1.307 1.00 0.00 H new ATOM 0 HA HIS A 62 -7.322 -13.315 -1.184 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -9.238 -12.529 -3.424 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -7.686 -13.268 -3.763 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -10.917 -14.251 -1.619 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -8.960 -17.778 -2.862 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -11.022 -16.883 -1.633 1.00 0.00 H new ATOM 986 N ASN A 63 -7.545 -10.225 -2.242 1.00 0.00 N ATOM 987 CA ASN A 63 -6.768 -9.034 -2.584 1.00 0.00 C ATOM 988 C ASN A 63 -5.765 -8.720 -1.488 1.00 0.00 C ATOM 989 O ASN A 63 -4.611 -8.386 -1.758 1.00 0.00 O ATOM 990 CB ASN A 63 -7.714 -7.839 -2.751 1.00 0.00 C ATOM 991 CG ASN A 63 -7.057 -6.737 -3.581 1.00 0.00 C ATOM 992 OD1 ASN A 63 -6.657 -6.969 -4.721 1.00 0.00 O ATOM 993 ND2 ASN A 63 -6.937 -5.538 -3.075 1.00 0.00 N ATOM 0 H ASN A 63 -8.547 -10.061 -2.141 1.00 0.00 H new ATOM 0 HA ASN A 63 -6.232 -9.223 -3.514 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -8.635 -8.164 -3.234 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -7.989 -7.448 -1.772 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -6.511 -4.792 -3.626 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -7.269 -5.348 -2.130 1.00 0.00 H new ATOM 1000 N PHE A 64 -6.206 -8.843 -0.245 1.00 0.00 N ATOM 1001 CA PHE A 64 -5.313 -8.574 0.870 1.00 0.00 C ATOM 1002 C PHE A 64 -4.239 -9.657 0.942 1.00 0.00 C ATOM 1003 O PHE A 64 -3.045 -9.359 0.938 1.00 0.00 O ATOM 1004 CB PHE A 64 -6.106 -8.504 2.183 1.00 0.00 C ATOM 1005 CG PHE A 64 -6.810 -7.163 2.293 1.00 0.00 C ATOM 1006 CD1 PHE A 64 -6.090 -6.022 2.679 1.00 0.00 C ATOM 1007 CD2 PHE A 64 -8.179 -7.061 2.014 1.00 0.00 C ATOM 1008 CE1 PHE A 64 -6.739 -4.784 2.782 1.00 0.00 C ATOM 1009 CE2 PHE A 64 -8.826 -5.823 2.118 1.00 0.00 C ATOM 1010 CZ PHE A 64 -8.106 -4.685 2.502 1.00 0.00 C ATOM 0 H PHE A 64 -7.153 -9.120 0.013 1.00 0.00 H new ATOM 0 HA PHE A 64 -4.828 -7.610 0.716 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -6.837 -9.312 2.220 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -5.435 -8.642 3.031 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -5.035 -6.098 2.897 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -8.736 -7.938 1.718 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -6.184 -3.906 3.078 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -9.881 -5.746 1.902 1.00 0.00 H new ATOM 0 HZ PHE A 64 -8.606 -3.731 2.582 1.00 0.00 H new ATOM 1020 N THR A 65 -4.668 -10.913 0.991 1.00 0.00 N ATOM 1021 CA THR A 65 -3.719 -12.018 1.049 1.00 0.00 C ATOM 1022 C THR A 65 -2.729 -11.901 -0.099 1.00 0.00 C ATOM 1023 O THR A 65 -1.529 -12.115 0.073 1.00 0.00 O ATOM 1024 CB THR A 65 -4.440 -13.366 0.945 1.00 0.00 C ATOM 1025 OG1 THR A 65 -5.527 -13.401 1.857 1.00 0.00 O ATOM 1026 CG2 THR A 65 -3.456 -14.493 1.269 1.00 0.00 C ATOM 0 H THR A 65 -5.650 -11.189 0.992 1.00 0.00 H new ATOM 0 HA THR A 65 -3.198 -11.968 2.005 1.00 0.00 H new ATOM 0 HB THR A 65 -4.822 -13.497 -0.068 1.00 0.00 H new ATOM 0 HG1 THR A 65 -5.986 -14.264 1.786 1.00 0.00 H new ATOM 0 HG21 THR A 65 -3.966 -15.454 1.196 1.00 0.00 H new ATOM 0 HG22 THR A 65 -2.627 -14.467 0.561 1.00 0.00 H new ATOM 0 HG23 THR A 65 -3.073 -14.362 2.281 1.00 0.00 H new ATOM 1034 N LEU A 66 -3.253 -11.568 -1.270 1.00 0.00 N ATOM 1035 CA LEU A 66 -2.433 -11.430 -2.464 1.00 0.00 C ATOM 1036 C LEU A 66 -1.382 -10.346 -2.283 1.00 0.00 C ATOM 1037 O LEU A 66 -0.209 -10.555 -2.585 1.00 0.00 O ATOM 1038 CB LEU A 66 -3.342 -11.065 -3.635 1.00 0.00 C ATOM 1039 CG LEU A 66 -2.543 -10.894 -4.932 1.00 0.00 C ATOM 1040 CD1 LEU A 66 -1.854 -12.212 -5.311 1.00 0.00 C ATOM 1041 CD2 LEU A 66 -3.517 -10.485 -6.039 1.00 0.00 C ATOM 0 H LEU A 66 -4.246 -11.388 -1.418 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.919 -12.372 -2.654 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.094 -11.842 -3.769 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.875 -10.141 -3.410 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.775 -10.132 -4.797 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.290 -12.076 -6.234 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.175 -12.511 -4.512 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.606 -12.987 -5.457 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.972 -10.357 -6.974 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -4.273 -11.260 -6.163 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -4.001 -9.546 -5.769 1.00 0.00 H new ATOM 1053 N ALA A 67 -1.803 -9.185 -1.804 1.00 0.00 N ATOM 1054 CA ALA A 67 -0.870 -8.098 -1.612 1.00 0.00 C ATOM 1055 C ALA A 67 0.204 -8.509 -0.626 1.00 0.00 C ATOM 1056 O ALA A 67 1.371 -8.160 -0.781 1.00 0.00 O ATOM 1057 CB ALA A 67 -1.593 -6.865 -1.086 1.00 0.00 C ATOM 0 H ALA A 67 -2.768 -8.978 -1.547 1.00 0.00 H new ATOM 0 HA ALA A 67 -0.413 -7.860 -2.572 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -0.877 -6.055 -0.947 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.355 -6.557 -1.802 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.066 -7.100 -0.132 1.00 0.00 H new ATOM 1063 N PHE A 68 -0.198 -9.261 0.388 1.00 0.00 N ATOM 1064 CA PHE A 68 0.742 -9.717 1.395 1.00 0.00 C ATOM 1065 C PHE A 68 1.548 -10.914 0.892 1.00 0.00 C ATOM 1066 O PHE A 68 2.776 -10.905 0.948 1.00 0.00 O ATOM 1067 CB PHE A 68 -0.009 -10.079 2.684 1.00 0.00 C ATOM 1068 CG PHE A 68 -0.651 -8.835 3.288 1.00 0.00 C ATOM 1069 CD1 PHE A 68 0.142 -7.737 3.656 1.00 0.00 C ATOM 1070 CD2 PHE A 68 -2.042 -8.781 3.485 1.00 0.00 C ATOM 1071 CE1 PHE A 68 -0.449 -6.598 4.216 1.00 0.00 C ATOM 1072 CE2 PHE A 68 -2.631 -7.637 4.048 1.00 0.00 C ATOM 1073 CZ PHE A 68 -1.834 -6.547 4.411 1.00 0.00 C ATOM 0 H PHE A 68 -1.161 -9.565 0.533 1.00 0.00 H new ATOM 0 HA PHE A 68 1.442 -8.908 1.606 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -0.775 -10.825 2.470 1.00 0.00 H new ATOM 0 HB3 PHE A 68 0.680 -10.526 3.401 1.00 0.00 H new ATOM 0 HD1 PHE A 68 1.211 -7.771 3.507 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -2.659 -9.621 3.203 1.00 0.00 H new ATOM 0 HE1 PHE A 68 0.166 -5.756 4.498 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -3.700 -7.599 4.201 1.00 0.00 H new ATOM 0 HZ PHE A 68 -2.287 -5.666 4.842 1.00 0.00 H new ATOM 1083 N SER A 69 0.863 -11.936 0.392 1.00 0.00 N ATOM 1084 CA SER A 69 1.557 -13.118 -0.115 1.00 0.00 C ATOM 1085 C SER A 69 2.472 -12.757 -1.280 1.00 0.00 C ATOM 1086 O SER A 69 3.502 -13.402 -1.495 1.00 0.00 O ATOM 1087 CB SER A 69 0.550 -14.177 -0.570 1.00 0.00 C ATOM 1088 OG SER A 69 1.201 -15.441 -0.628 1.00 0.00 O ATOM 0 H SER A 69 -0.154 -11.973 0.326 1.00 0.00 H new ATOM 0 HA SER A 69 2.163 -13.520 0.697 1.00 0.00 H new ATOM 0 HB2 SER A 69 -0.291 -14.218 0.122 1.00 0.00 H new ATOM 0 HB3 SER A 69 0.146 -13.916 -1.548 1.00 0.00 H new ATOM 0 HG SER A 69 0.562 -16.125 -0.917 1.00 0.00 H new ATOM 1094 N THR A 70 2.117 -11.705 -2.013 1.00 0.00 N ATOM 1095 CA THR A 70 2.950 -11.267 -3.125 1.00 0.00 C ATOM 1096 C THR A 70 4.152 -10.484 -2.608 1.00 0.00 C ATOM 1097 O THR A 70 5.285 -10.716 -3.029 1.00 0.00 O ATOM 1098 CB THR A 70 2.149 -10.404 -4.103 1.00 0.00 C ATOM 1099 OG1 THR A 70 1.110 -11.178 -4.680 1.00 0.00 O ATOM 1100 CG2 THR A 70 3.082 -9.894 -5.203 1.00 0.00 C ATOM 0 H THR A 70 1.275 -11.150 -1.860 1.00 0.00 H new ATOM 0 HA THR A 70 3.300 -12.153 -3.654 1.00 0.00 H new ATOM 0 HB THR A 70 1.712 -9.558 -3.572 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.310 -11.124 -4.116 1.00 0.00 H new ATOM 0 HG21 THR A 70 2.517 -9.278 -5.903 1.00 0.00 H new ATOM 0 HG22 THR A 70 3.879 -9.298 -4.757 1.00 0.00 H new ATOM 0 HG23 THR A 70 3.516 -10.741 -5.734 1.00 0.00 H new ATOM 1108 N ALA A 71 3.894 -9.551 -1.697 1.00 0.00 N ATOM 1109 CA ALA A 71 4.964 -8.735 -1.135 1.00 0.00 C ATOM 1110 C ALA A 71 5.932 -9.588 -0.322 1.00 0.00 C ATOM 1111 O ALA A 71 7.133 -9.322 -0.300 1.00 0.00 O ATOM 1112 CB ALA A 71 4.384 -7.633 -0.246 1.00 0.00 C ATOM 0 H ALA A 71 2.963 -9.343 -1.335 1.00 0.00 H new ATOM 0 HA ALA A 71 5.508 -8.282 -1.964 1.00 0.00 H new ATOM 0 HB1 ALA A 71 5.195 -7.033 0.166 1.00 0.00 H new ATOM 0 HB2 ALA A 71 3.726 -6.997 -0.838 1.00 0.00 H new ATOM 0 HB3 ALA A 71 3.817 -8.083 0.568 1.00 0.00 H new ATOM 1118 N GLU A 72 5.409 -10.612 0.345 1.00 0.00 N ATOM 1119 CA GLU A 72 6.254 -11.486 1.147 1.00 0.00 C ATOM 1120 C GLU A 72 7.130 -12.360 0.257 1.00 0.00 C ATOM 1121 O GLU A 72 8.340 -12.440 0.443 1.00 0.00 O ATOM 1122 CB GLU A 72 5.389 -12.369 2.055 1.00 0.00 C ATOM 1123 CG GLU A 72 4.755 -11.513 3.157 1.00 0.00 C ATOM 1124 CD GLU A 72 3.713 -12.326 3.923 1.00 0.00 C ATOM 1125 OE1 GLU A 72 3.599 -13.511 3.654 1.00 0.00 O ATOM 1126 OE2 GLU A 72 3.044 -11.751 4.766 1.00 0.00 O ATOM 0 H GLU A 72 4.418 -10.854 0.346 1.00 0.00 H new ATOM 0 HA GLU A 72 6.901 -10.862 1.764 1.00 0.00 H new ATOM 0 HB2 GLU A 72 4.611 -12.858 1.469 1.00 0.00 H new ATOM 0 HB3 GLU A 72 5.997 -13.157 2.498 1.00 0.00 H new ATOM 0 HG2 GLU A 72 5.526 -11.159 3.842 1.00 0.00 H new ATOM 0 HG3 GLU A 72 4.288 -10.631 2.719 1.00 0.00 H new ATOM 1133 N LYS A 73 6.525 -13.030 -0.712 1.00 0.00 N ATOM 1134 CA LYS A 73 7.300 -13.899 -1.582 1.00 0.00 C ATOM 1135 C LYS A 73 8.393 -13.109 -2.303 1.00 0.00 C ATOM 1136 O LYS A 73 9.507 -13.603 -2.490 1.00 0.00 O ATOM 1137 CB LYS A 73 6.373 -14.570 -2.608 1.00 0.00 C ATOM 1138 CG LYS A 73 7.041 -15.827 -3.203 1.00 0.00 C ATOM 1139 CD LYS A 73 6.069 -16.545 -4.154 1.00 0.00 C ATOM 1140 CE LYS A 73 6.748 -17.785 -4.749 1.00 0.00 C ATOM 1141 NZ LYS A 73 5.816 -18.450 -5.705 1.00 0.00 N ATOM 0 H LYS A 73 5.526 -12.991 -0.913 1.00 0.00 H new ATOM 0 HA LYS A 73 7.777 -14.665 -0.971 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.431 -14.843 -2.132 1.00 0.00 H new ATOM 0 HB3 LYS A 73 6.134 -13.866 -3.406 1.00 0.00 H new ATOM 0 HG2 LYS A 73 7.947 -15.546 -3.741 1.00 0.00 H new ATOM 0 HG3 LYS A 73 7.342 -16.502 -2.402 1.00 0.00 H new ATOM 0 HD2 LYS A 73 5.167 -16.836 -3.616 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.760 -15.870 -4.952 1.00 0.00 H new ATOM 0 HE2 LYS A 73 7.668 -17.500 -5.260 1.00 0.00 H new ATOM 0 HE3 LYS A 73 7.026 -18.477 -3.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 6.275 -19.291 -6.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 4.950 -18.735 -5.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 5.572 -17.788 -6.469 1.00 0.00 H new ATOM 1155 N LEU A 74 8.060 -11.891 -2.726 1.00 0.00 N ATOM 1156 CA LEU A 74 9.007 -11.052 -3.450 1.00 0.00 C ATOM 1157 C LEU A 74 10.014 -10.359 -2.529 1.00 0.00 C ATOM 1158 O LEU A 74 11.214 -10.393 -2.802 1.00 0.00 O ATOM 1159 CB LEU A 74 8.241 -9.990 -4.247 1.00 0.00 C ATOM 1160 CG LEU A 74 7.408 -10.653 -5.359 1.00 0.00 C ATOM 1161 CD1 LEU A 74 6.503 -9.607 -6.011 1.00 0.00 C ATOM 1162 CD2 LEU A 74 8.332 -11.276 -6.428 1.00 0.00 C ATOM 0 H LEU A 74 7.144 -11.466 -2.580 1.00 0.00 H new ATOM 0 HA LEU A 74 9.571 -11.707 -4.114 1.00 0.00 H new ATOM 0 HB2 LEU A 74 7.588 -9.427 -3.581 1.00 0.00 H new ATOM 0 HB3 LEU A 74 8.941 -9.278 -4.684 1.00 0.00 H new ATOM 0 HG LEU A 74 6.800 -11.443 -4.919 1.00 0.00 H new ATOM 0 HD11 LEU A 74 5.913 -10.076 -6.798 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.835 -9.185 -5.260 1.00 0.00 H new ATOM 0 HD13 LEU A 74 7.115 -8.813 -6.440 1.00 0.00 H new ATOM 0 HD21 LEU A 74 7.726 -11.740 -7.206 1.00 0.00 H new ATOM 0 HD22 LEU A 74 8.955 -10.498 -6.869 1.00 0.00 H new ATOM 0 HD23 LEU A 74 8.968 -12.030 -5.964 1.00 0.00 H new ATOM 1174 N ALA A 75 9.543 -9.697 -1.464 1.00 0.00 N ATOM 1175 CA ALA A 75 10.458 -8.968 -0.566 1.00 0.00 C ATOM 1176 C ALA A 75 10.434 -9.499 0.866 1.00 0.00 C ATOM 1177 O ALA A 75 11.056 -8.901 1.745 1.00 0.00 O ATOM 1178 CB ALA A 75 10.074 -7.472 -0.566 1.00 0.00 C ATOM 0 H ALA A 75 8.558 -9.649 -1.204 1.00 0.00 H new ATOM 0 HA ALA A 75 11.471 -9.113 -0.942 1.00 0.00 H new ATOM 0 HB1 ALA A 75 10.745 -6.924 0.095 1.00 0.00 H new ATOM 0 HB2 ALA A 75 10.158 -7.075 -1.578 1.00 0.00 H new ATOM 0 HB3 ALA A 75 9.048 -7.360 -0.216 1.00 0.00 H new ATOM 1184 N ASP A 76 9.744 -10.603 1.114 1.00 0.00 N ATOM 1185 CA ASP A 76 9.705 -11.143 2.470 1.00 0.00 C ATOM 1186 C ASP A 76 9.393 -10.030 3.467 1.00 0.00 C ATOM 1187 O ASP A 76 9.939 -9.992 4.569 1.00 0.00 O ATOM 1188 CB ASP A 76 11.058 -11.772 2.792 1.00 0.00 C ATOM 1189 CG ASP A 76 10.959 -12.605 4.062 1.00 0.00 C ATOM 1190 OD1 ASP A 76 10.158 -13.525 4.084 1.00 0.00 O ATOM 1191 OD2 ASP A 76 11.690 -12.314 4.993 1.00 0.00 O ATOM 0 H ASP A 76 9.217 -11.131 0.419 1.00 0.00 H new ATOM 0 HA ASP A 76 8.924 -11.900 2.541 1.00 0.00 H new ATOM 0 HB2 ASP A 76 11.383 -12.398 1.961 1.00 0.00 H new ATOM 0 HB3 ASP A 76 11.810 -10.993 2.917 1.00 0.00 H new ATOM 1196 N CYS A 77 8.519 -9.125 3.045 1.00 0.00 N ATOM 1197 CA CYS A 77 8.118 -7.979 3.861 1.00 0.00 C ATOM 1198 C CYS A 77 7.716 -8.384 5.284 1.00 0.00 C ATOM 1199 O CYS A 77 7.973 -9.500 5.732 1.00 0.00 O ATOM 1200 CB CYS A 77 6.944 -7.268 3.184 1.00 0.00 C ATOM 1201 SG CYS A 77 7.278 -7.118 1.412 1.00 0.00 S ATOM 0 H CYS A 77 8.068 -9.162 2.131 1.00 0.00 H new ATOM 0 HA CYS A 77 8.978 -7.315 3.943 1.00 0.00 H new ATOM 0 HB2 CYS A 77 6.023 -7.827 3.346 1.00 0.00 H new ATOM 0 HB3 CYS A 77 6.799 -6.281 3.623 1.00 0.00 H new ATOM 0 HG CYS A 77 7.439 -8.302 0.899 1.00 0.00 H new ATOM 1207 N ALA A 78 7.074 -7.443 5.976 1.00 0.00 N ATOM 1208 CA ALA A 78 6.617 -7.660 7.346 1.00 0.00 C ATOM 1209 C ALA A 78 5.227 -8.300 7.348 1.00 0.00 C ATOM 1210 O ALA A 78 4.589 -8.415 6.304 1.00 0.00 O ATOM 1211 CB ALA A 78 6.571 -6.322 8.093 1.00 0.00 C ATOM 0 H ALA A 78 6.858 -6.517 5.606 1.00 0.00 H new ATOM 0 HA ALA A 78 7.314 -8.332 7.847 1.00 0.00 H new ATOM 0 HB1 ALA A 78 6.230 -6.487 9.115 1.00 0.00 H new ATOM 0 HB2 ALA A 78 7.567 -5.880 8.110 1.00 0.00 H new ATOM 0 HB3 ALA A 78 5.883 -5.646 7.586 1.00 0.00 H new ATOM 1217 N GLN A 79 4.769 -8.718 8.527 1.00 0.00 N ATOM 1218 CA GLN A 79 3.451 -9.349 8.667 1.00 0.00 C ATOM 1219 C GLN A 79 2.649 -8.638 9.750 1.00 0.00 C ATOM 1220 O GLN A 79 1.981 -9.274 10.561 1.00 0.00 O ATOM 1221 CB GLN A 79 3.631 -10.815 9.056 1.00 0.00 C ATOM 1222 CG GLN A 79 4.271 -11.569 7.891 1.00 0.00 C ATOM 1223 CD GLN A 79 4.577 -13.008 8.299 1.00 0.00 C ATOM 1224 OE1 GLN A 79 4.998 -13.257 9.430 1.00 0.00 O ATOM 1225 NE2 GLN A 79 4.386 -13.974 7.444 1.00 0.00 N ATOM 0 H GLN A 79 5.288 -8.633 9.401 1.00 0.00 H new ATOM 0 HA GLN A 79 2.918 -9.280 7.719 1.00 0.00 H new ATOM 0 HB2 GLN A 79 4.258 -10.894 9.944 1.00 0.00 H new ATOM 0 HB3 GLN A 79 2.667 -11.258 9.306 1.00 0.00 H new ATOM 0 HG2 GLN A 79 3.601 -11.562 7.031 1.00 0.00 H new ATOM 0 HG3 GLN A 79 5.189 -11.067 7.584 1.00 0.00 H new ATOM 0 HE21 GLN A 79 4.037 -13.765 6.508 1.00 0.00 H new ATOM 0 HE22 GLN A 79 4.585 -14.938 7.711 1.00 0.00 H new ATOM 1234 N LEU A 80 2.752 -7.316 9.774 1.00 0.00 N ATOM 1235 CA LEU A 80 2.064 -6.517 10.786 1.00 0.00 C ATOM 1236 C LEU A 80 0.542 -6.575 10.615 1.00 0.00 C ATOM 1237 O LEU A 80 -0.200 -6.383 11.579 1.00 0.00 O ATOM 1238 CB LEU A 80 2.500 -5.047 10.705 1.00 0.00 C ATOM 1239 CG LEU A 80 4.014 -4.930 10.523 1.00 0.00 C ATOM 1240 CD1 LEU A 80 4.394 -3.452 10.527 1.00 0.00 C ATOM 1241 CD2 LEU A 80 4.750 -5.640 11.656 1.00 0.00 C ATOM 0 H LEU A 80 3.302 -6.773 9.108 1.00 0.00 H new ATOM 0 HA LEU A 80 2.333 -6.938 11.754 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.992 -4.559 9.873 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.198 -4.525 11.613 1.00 0.00 H new ATOM 0 HG LEU A 80 4.297 -5.396 9.579 1.00 0.00 H new ATOM 0 HD11 LEU A 80 5.472 -3.353 10.398 1.00 0.00 H new ATOM 0 HD12 LEU A 80 3.883 -2.943 9.710 1.00 0.00 H new ATOM 0 HD13 LEU A 80 4.099 -3.003 11.476 1.00 0.00 H new ATOM 0 HD21 LEU A 80 5.826 -5.545 11.507 1.00 0.00 H new ATOM 0 HD22 LEU A 80 4.474 -5.188 12.609 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.477 -6.695 11.662 1.00 0.00 H new ATOM 1253 N LEU A 81 0.072 -6.808 9.381 1.00 0.00 N ATOM 1254 CA LEU A 81 -1.383 -6.849 9.102 1.00 0.00 C ATOM 1255 C LEU A 81 -1.858 -8.243 8.699 1.00 0.00 C ATOM 1256 O LEU A 81 -1.177 -8.962 7.969 1.00 0.00 O ATOM 1257 CB LEU A 81 -1.741 -5.870 7.960 1.00 0.00 C ATOM 1258 CG LEU A 81 -0.844 -4.636 8.017 1.00 0.00 C ATOM 1259 CD1 LEU A 81 -1.153 -3.721 6.830 1.00 0.00 C ATOM 1260 CD2 LEU A 81 -1.109 -3.876 9.311 1.00 0.00 C ATOM 0 H LEU A 81 0.664 -6.970 8.566 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.882 -6.562 10.028 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.626 -6.367 6.997 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -2.786 -5.572 8.042 1.00 0.00 H new ATOM 0 HG LEU A 81 0.200 -4.948 7.978 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -0.512 -2.841 6.873 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -0.971 -4.258 5.899 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -2.197 -3.411 6.871 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.469 -2.995 9.353 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -2.154 -3.568 9.344 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.894 -4.521 10.163 1.00 0.00 H new ATOM 1272 N GLU A 82 -3.058 -8.595 9.166 1.00 0.00 N ATOM 1273 CA GLU A 82 -3.671 -9.885 8.852 1.00 0.00 C ATOM 1274 C GLU A 82 -4.907 -9.677 7.984 1.00 0.00 C ATOM 1275 O GLU A 82 -5.731 -8.806 8.254 1.00 0.00 O ATOM 1276 CB GLU A 82 -4.054 -10.596 10.142 1.00 0.00 C ATOM 1277 CG GLU A 82 -2.781 -10.973 10.899 1.00 0.00 C ATOM 1278 CD GLU A 82 -3.135 -11.568 12.256 1.00 0.00 C ATOM 1279 OE1 GLU A 82 -4.314 -11.717 12.527 1.00 0.00 O ATOM 1280 OE2 GLU A 82 -2.219 -11.867 13.004 1.00 0.00 O ATOM 0 H GLU A 82 -3.627 -7.999 9.767 1.00 0.00 H new ATOM 0 HA GLU A 82 -2.956 -10.498 8.304 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -4.680 -9.949 10.757 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -4.639 -11.489 9.921 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -2.203 -11.691 10.318 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -2.153 -10.092 11.032 1.00 0.00 H new ATOM 1287 N VAL A 83 -5.015 -10.483 6.936 1.00 0.00 N ATOM 1288 CA VAL A 83 -6.128 -10.391 6.001 1.00 0.00 C ATOM 1289 C VAL A 83 -7.476 -10.379 6.722 1.00 0.00 C ATOM 1290 O VAL A 83 -8.303 -9.492 6.502 1.00 0.00 O ATOM 1291 CB VAL A 83 -6.059 -11.613 5.074 1.00 0.00 C ATOM 1292 CG1 VAL A 83 -7.339 -11.723 4.236 1.00 0.00 C ATOM 1293 CG2 VAL A 83 -4.818 -11.505 4.171 1.00 0.00 C ATOM 0 H VAL A 83 -4.339 -11.213 6.711 1.00 0.00 H new ATOM 0 HA VAL A 83 -6.048 -9.458 5.442 1.00 0.00 H new ATOM 0 HB VAL A 83 -5.976 -12.517 5.677 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -7.274 -12.594 3.584 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -8.199 -11.828 4.897 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -7.455 -10.825 3.630 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -4.770 -12.373 3.513 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -4.883 -10.598 3.570 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.921 -11.468 4.789 1.00 0.00 H new ATOM 1303 N ASP A 84 -7.695 -11.380 7.553 1.00 0.00 N ATOM 1304 CA ASP A 84 -8.953 -11.502 8.276 1.00 0.00 C ATOM 1305 C ASP A 84 -9.283 -10.225 9.043 1.00 0.00 C ATOM 1306 O ASP A 84 -10.421 -9.758 9.019 1.00 0.00 O ATOM 1307 CB ASP A 84 -8.868 -12.680 9.245 1.00 0.00 C ATOM 1308 CG ASP A 84 -7.581 -12.588 10.055 1.00 0.00 C ATOM 1309 OD1 ASP A 84 -6.909 -11.581 9.942 1.00 0.00 O ATOM 1310 OD2 ASP A 84 -7.282 -13.528 10.769 1.00 0.00 O ATOM 0 H ASP A 84 -7.021 -12.121 7.746 1.00 0.00 H new ATOM 0 HA ASP A 84 -9.749 -11.671 7.551 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -9.730 -12.677 9.912 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -8.895 -13.620 8.693 1.00 0.00 H new ATOM 1315 N ASP A 85 -8.288 -9.670 9.722 1.00 0.00 N ATOM 1316 CA ASP A 85 -8.492 -8.455 10.491 1.00 0.00 C ATOM 1317 C ASP A 85 -8.894 -7.316 9.573 1.00 0.00 C ATOM 1318 O ASP A 85 -9.813 -6.554 9.871 1.00 0.00 O ATOM 1319 CB ASP A 85 -7.204 -8.090 11.228 1.00 0.00 C ATOM 1320 CG ASP A 85 -6.959 -9.067 12.371 1.00 0.00 C ATOM 1321 OD1 ASP A 85 -7.868 -9.815 12.690 1.00 0.00 O ATOM 1322 OD2 ASP A 85 -5.865 -9.053 12.913 1.00 0.00 O ATOM 0 H ASP A 85 -7.338 -10.041 9.755 1.00 0.00 H new ATOM 0 HA ASP A 85 -9.289 -8.625 11.215 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -6.362 -8.110 10.536 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -7.274 -7.074 11.617 1.00 0.00 H new ATOM 1327 N MET A 86 -8.211 -7.216 8.442 1.00 0.00 N ATOM 1328 CA MET A 86 -8.519 -6.174 7.477 1.00 0.00 C ATOM 1329 C MET A 86 -9.954 -6.313 6.998 1.00 0.00 C ATOM 1330 O MET A 86 -10.689 -5.331 6.887 1.00 0.00 O ATOM 1331 CB MET A 86 -7.583 -6.298 6.271 1.00 0.00 C ATOM 1332 CG MET A 86 -6.114 -6.085 6.697 1.00 0.00 C ATOM 1333 SD MET A 86 -5.265 -5.091 5.448 1.00 0.00 S ATOM 1334 CE MET A 86 -5.918 -3.482 5.962 1.00 0.00 C ATOM 0 H MET A 86 -7.448 -7.837 8.173 1.00 0.00 H new ATOM 0 HA MET A 86 -8.386 -5.204 7.956 1.00 0.00 H new ATOM 0 HB2 MET A 86 -7.696 -7.282 5.816 1.00 0.00 H new ATOM 0 HB3 MET A 86 -7.858 -5.563 5.514 1.00 0.00 H new ATOM 0 HG2 MET A 86 -6.073 -5.585 7.665 1.00 0.00 H new ATOM 0 HG3 MET A 86 -5.614 -7.047 6.814 1.00 0.00 H new ATOM 0 HE1 MET A 86 -6.318 -2.958 5.094 1.00 0.00 H new ATOM 0 HE2 MET A 86 -6.712 -3.629 6.695 1.00 0.00 H new ATOM 0 HE3 MET A 86 -5.118 -2.890 6.407 1.00 0.00 H new ATOM 1344 N VAL A 87 -10.334 -7.548 6.735 1.00 0.00 N ATOM 1345 CA VAL A 87 -11.674 -7.853 6.275 1.00 0.00 C ATOM 1346 C VAL A 87 -12.714 -7.472 7.322 1.00 0.00 C ATOM 1347 O VAL A 87 -13.735 -6.858 7.001 1.00 0.00 O ATOM 1348 CB VAL A 87 -11.767 -9.350 5.964 1.00 0.00 C ATOM 1349 CG1 VAL A 87 -13.221 -9.739 5.673 1.00 0.00 C ATOM 1350 CG2 VAL A 87 -10.891 -9.665 4.745 1.00 0.00 C ATOM 0 H VAL A 87 -9.728 -8.362 6.833 1.00 0.00 H new ATOM 0 HA VAL A 87 -11.878 -7.273 5.375 1.00 0.00 H new ATOM 0 HB VAL A 87 -11.418 -9.921 6.825 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -13.275 -10.805 5.453 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -13.838 -9.516 6.543 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -13.584 -9.173 4.815 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -10.953 -10.729 4.518 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -11.241 -9.090 3.887 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -9.856 -9.400 4.962 1.00 0.00 H new ATOM 1360 N ARG A 88 -12.453 -7.835 8.572 1.00 0.00 N ATOM 1361 CA ARG A 88 -13.372 -7.529 9.657 1.00 0.00 C ATOM 1362 C ARG A 88 -13.351 -6.050 10.020 1.00 0.00 C ATOM 1363 O ARG A 88 -14.396 -5.405 10.101 1.00 0.00 O ATOM 1364 CB ARG A 88 -12.981 -8.354 10.887 1.00 0.00 C ATOM 1365 CG ARG A 88 -13.335 -9.820 10.644 1.00 0.00 C ATOM 1366 CD ARG A 88 -13.026 -10.643 11.896 1.00 0.00 C ATOM 1367 NE ARG A 88 -13.456 -12.025 11.706 1.00 0.00 N ATOM 1368 CZ ARG A 88 -12.647 -12.939 11.179 1.00 0.00 C ATOM 1369 NH1 ARG A 88 -11.406 -13.013 11.577 1.00 0.00 N ATOM 1370 NH2 ARG A 88 -13.092 -13.758 10.268 1.00 0.00 N ATOM 0 H ARG A 88 -11.614 -8.340 8.857 1.00 0.00 H new ATOM 0 HA ARG A 88 -14.380 -7.778 9.326 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -11.913 -8.253 11.083 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -13.503 -7.983 11.769 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -14.391 -9.911 10.389 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -12.768 -10.205 9.796 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -11.957 -10.612 12.106 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -13.533 -10.211 12.759 1.00 0.00 H new ATOM 0 HE ARG A 88 -14.399 -12.296 11.984 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -11.060 -12.371 12.290 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -10.782 -13.713 11.175 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -14.062 -13.698 9.958 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -12.470 -14.459 9.865 1.00 0.00 H new ATOM 1384 N LEU A 89 -12.158 -5.522 10.242 1.00 0.00 N ATOM 1385 CA LEU A 89 -12.026 -4.123 10.616 1.00 0.00 C ATOM 1386 C LEU A 89 -12.643 -3.230 9.548 1.00 0.00 C ATOM 1387 O LEU A 89 -13.521 -2.413 9.833 1.00 0.00 O ATOM 1388 CB LEU A 89 -10.538 -3.772 10.774 1.00 0.00 C ATOM 1389 CG LEU A 89 -9.937 -4.494 11.995 1.00 0.00 C ATOM 1390 CD1 LEU A 89 -8.407 -4.372 11.953 1.00 0.00 C ATOM 1391 CD2 LEU A 89 -10.457 -3.868 13.302 1.00 0.00 C ATOM 0 H LEU A 89 -11.278 -6.033 10.171 1.00 0.00 H new ATOM 0 HA LEU A 89 -12.547 -3.961 11.560 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -9.994 -4.056 9.873 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -10.423 -2.694 10.889 1.00 0.00 H new ATOM 0 HG LEU A 89 -10.232 -5.543 11.963 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -7.978 -4.882 12.815 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -8.031 -4.828 11.037 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -8.125 -3.319 11.976 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -10.022 -4.391 14.154 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -10.175 -2.816 13.339 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -11.543 -3.954 13.340 1.00 0.00 H new ATOM 1403 N ALA A 90 -12.136 -3.361 8.331 1.00 0.00 N ATOM 1404 CA ALA A 90 -12.602 -2.526 7.234 1.00 0.00 C ATOM 1405 C ALA A 90 -12.351 -1.078 7.627 1.00 0.00 C ATOM 1406 O ALA A 90 -13.030 -0.155 7.176 1.00 0.00 O ATOM 1407 CB ALA A 90 -14.093 -2.764 6.963 1.00 0.00 C ATOM 0 H ALA A 90 -11.409 -4.031 8.079 1.00 0.00 H new ATOM 0 HA ALA A 90 -12.067 -2.771 6.316 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -14.419 -2.129 6.139 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -14.253 -3.810 6.700 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -14.668 -2.522 7.857 1.00 0.00 H new ATOM 1413 N VAL A 91 -11.346 -0.922 8.488 1.00 0.00 N ATOM 1414 CA VAL A 91 -10.932 0.378 9.006 1.00 0.00 C ATOM 1415 C VAL A 91 -9.506 0.284 9.567 1.00 0.00 C ATOM 1416 O VAL A 91 -9.295 0.512 10.756 1.00 0.00 O ATOM 1417 CB VAL A 91 -11.881 0.827 10.138 1.00 0.00 C ATOM 1418 CG1 VAL A 91 -11.355 2.136 10.780 1.00 0.00 C ATOM 1419 CG2 VAL A 91 -13.290 1.070 9.574 1.00 0.00 C ATOM 0 H VAL A 91 -10.793 -1.701 8.847 1.00 0.00 H new ATOM 0 HA VAL A 91 -10.965 1.102 8.192 1.00 0.00 H new ATOM 0 HB VAL A 91 -11.922 0.043 10.894 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -12.030 2.447 11.578 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -10.360 1.965 11.192 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -11.305 2.918 10.022 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -13.954 1.386 10.378 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -13.248 1.848 8.811 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -13.669 0.149 9.132 1.00 0.00 H new ATOM 1429 N PRO A 92 -8.530 -0.066 8.759 1.00 0.00 N ATOM 1430 CA PRO A 92 -7.122 -0.194 9.230 1.00 0.00 C ATOM 1431 C PRO A 92 -6.719 0.991 10.105 1.00 0.00 C ATOM 1432 O PRO A 92 -7.508 1.908 10.333 1.00 0.00 O ATOM 1433 CB PRO A 92 -6.271 -0.259 7.939 1.00 0.00 C ATOM 1434 CG PRO A 92 -7.235 -0.155 6.785 1.00 0.00 C ATOM 1435 CD PRO A 92 -8.650 -0.384 7.331 1.00 0.00 C ATOM 0 HA PRO A 92 -6.981 -1.078 9.852 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -5.545 0.553 7.912 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -5.709 -1.191 7.892 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -7.162 0.825 6.314 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -6.997 -0.895 6.021 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -9.378 0.260 6.838 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -8.977 -1.412 7.176 1.00 0.00 H new ATOM 1443 N ASP A 93 -5.480 0.970 10.577 1.00 0.00 N ATOM 1444 CA ASP A 93 -4.964 2.048 11.416 1.00 0.00 C ATOM 1445 C ASP A 93 -3.842 2.793 10.695 1.00 0.00 C ATOM 1446 O ASP A 93 -2.916 2.190 10.162 1.00 0.00 O ATOM 1447 CB ASP A 93 -4.466 1.476 12.744 1.00 0.00 C ATOM 1448 CG ASP A 93 -5.481 0.474 13.284 1.00 0.00 C ATOM 1449 OD1 ASP A 93 -6.656 0.636 12.998 1.00 0.00 O ATOM 1450 OD2 ASP A 93 -5.068 -0.449 13.968 1.00 0.00 O ATOM 0 H ASP A 93 -4.813 0.220 10.395 1.00 0.00 H new ATOM 0 HA ASP A 93 -5.767 2.757 11.618 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -3.501 0.990 12.603 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -4.316 2.280 13.464 1.00 0.00 H new ATOM 1455 N SER A 94 -3.955 4.112 10.664 1.00 0.00 N ATOM 1456 CA SER A 94 -2.969 4.946 9.986 1.00 0.00 C ATOM 1457 C SER A 94 -1.558 4.559 10.396 1.00 0.00 C ATOM 1458 O SER A 94 -0.622 4.633 9.597 1.00 0.00 O ATOM 1459 CB SER A 94 -3.209 6.414 10.333 1.00 0.00 C ATOM 1460 OG SER A 94 -4.468 6.819 9.809 1.00 0.00 O ATOM 0 H SER A 94 -4.718 4.630 11.100 1.00 0.00 H new ATOM 0 HA SER A 94 -3.076 4.796 8.912 1.00 0.00 H new ATOM 0 HB2 SER A 94 -3.190 6.552 11.414 1.00 0.00 H new ATOM 0 HB3 SER A 94 -2.413 7.033 9.919 1.00 0.00 H new ATOM 0 HG SER A 94 -4.627 7.760 10.031 1.00 0.00 H new ATOM 1466 N LYS A 95 -1.412 4.129 11.638 1.00 0.00 N ATOM 1467 CA LYS A 95 -0.113 3.715 12.136 1.00 0.00 C ATOM 1468 C LYS A 95 0.239 2.331 11.615 1.00 0.00 C ATOM 1469 O LYS A 95 1.404 2.016 11.405 1.00 0.00 O ATOM 1470 CB LYS A 95 -0.118 3.689 13.660 1.00 0.00 C ATOM 1471 CG LYS A 95 -1.248 2.783 14.161 1.00 0.00 C ATOM 1472 CD LYS A 95 -1.245 2.766 15.694 1.00 0.00 C ATOM 1473 CE LYS A 95 -2.377 1.871 16.209 1.00 0.00 C ATOM 1474 NZ LYS A 95 -3.686 2.545 15.978 1.00 0.00 N ATOM 0 H LYS A 95 -2.172 4.058 12.315 1.00 0.00 H new ATOM 0 HA LYS A 95 0.630 4.431 11.786 1.00 0.00 H new ATOM 0 HB2 LYS A 95 0.841 3.327 14.030 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -0.249 4.699 14.049 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -2.208 3.143 13.792 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -1.117 1.772 13.775 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -0.286 2.400 16.060 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -1.368 3.779 16.078 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -2.356 0.909 15.697 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -2.242 1.670 17.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -4.074 2.871 16.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -3.550 3.360 15.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -4.349 1.874 15.539 1.00 0.00 H new ATOM 1488 N CYS A 96 -0.781 1.505 11.410 1.00 0.00 N ATOM 1489 CA CYS A 96 -0.560 0.147 10.918 1.00 0.00 C ATOM 1490 C CYS A 96 -0.034 0.173 9.488 1.00 0.00 C ATOM 1491 O CYS A 96 1.017 -0.394 9.190 1.00 0.00 O ATOM 1492 CB CYS A 96 -1.873 -0.647 10.966 1.00 0.00 C ATOM 1493 SG CYS A 96 -2.111 -1.325 12.625 1.00 0.00 S ATOM 0 H CYS A 96 -1.758 1.746 11.574 1.00 0.00 H new ATOM 0 HA CYS A 96 0.181 -0.334 11.557 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -2.710 -0.001 10.703 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -1.849 -1.453 10.233 1.00 0.00 H new ATOM 0 HG CYS A 96 -3.284 -0.984 13.069 1.00 0.00 H new ATOM 1499 N VAL A 97 -0.773 0.845 8.614 1.00 0.00 N ATOM 1500 CA VAL A 97 -0.382 0.952 7.220 1.00 0.00 C ATOM 1501 C VAL A 97 0.961 1.640 7.140 1.00 0.00 C ATOM 1502 O VAL A 97 1.846 1.230 6.396 1.00 0.00 O ATOM 1503 CB VAL A 97 -1.410 1.782 6.449 1.00 0.00 C ATOM 1504 CG1 VAL A 97 -0.960 1.939 4.993 1.00 0.00 C ATOM 1505 CG2 VAL A 97 -2.773 1.090 6.495 1.00 0.00 C ATOM 0 H VAL A 97 -1.644 1.322 8.848 1.00 0.00 H new ATOM 0 HA VAL A 97 -0.325 -0.046 6.785 1.00 0.00 H new ATOM 0 HB VAL A 97 -1.492 2.767 6.908 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -1.695 2.531 4.447 1.00 0.00 H new ATOM 0 HG12 VAL A 97 0.006 2.443 4.963 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -0.871 0.955 4.532 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -3.502 1.685 5.945 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -2.695 0.102 6.042 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -3.095 0.989 7.531 1.00 0.00 H new ATOM 1515 N TYR A 98 1.105 2.699 7.921 1.00 0.00 N ATOM 1516 CA TYR A 98 2.340 3.453 7.935 1.00 0.00 C ATOM 1517 C TYR A 98 3.504 2.551 8.301 1.00 0.00 C ATOM 1518 O TYR A 98 4.514 2.511 7.600 1.00 0.00 O ATOM 1519 CB TYR A 98 2.230 4.579 8.968 1.00 0.00 C ATOM 1520 CG TYR A 98 3.564 5.266 9.119 1.00 0.00 C ATOM 1521 CD1 TYR A 98 4.515 4.755 10.011 1.00 0.00 C ATOM 1522 CD2 TYR A 98 3.851 6.408 8.369 1.00 0.00 C ATOM 1523 CE1 TYR A 98 5.756 5.384 10.147 1.00 0.00 C ATOM 1524 CE2 TYR A 98 5.095 7.042 8.508 1.00 0.00 C ATOM 1525 CZ TYR A 98 6.046 6.527 9.396 1.00 0.00 C ATOM 1526 OH TYR A 98 7.273 7.145 9.526 1.00 0.00 O ATOM 0 H TYR A 98 0.383 3.052 8.549 1.00 0.00 H new ATOM 0 HA TYR A 98 2.513 3.870 6.943 1.00 0.00 H new ATOM 0 HB2 TYR A 98 1.473 5.299 8.656 1.00 0.00 H new ATOM 0 HB3 TYR A 98 1.908 4.174 9.928 1.00 0.00 H new ATOM 0 HD1 TYR A 98 4.290 3.874 10.594 1.00 0.00 H new ATOM 0 HD2 TYR A 98 3.117 6.803 7.683 1.00 0.00 H new ATOM 0 HE1 TYR A 98 6.491 4.987 10.832 1.00 0.00 H new ATOM 0 HE2 TYR A 98 5.318 7.927 7.930 1.00 0.00 H new ATOM 0 HH TYR A 98 7.311 7.924 8.933 1.00 0.00 H new ATOM 1536 N THR A 99 3.355 1.828 9.398 1.00 0.00 N ATOM 1537 CA THR A 99 4.408 0.938 9.849 1.00 0.00 C ATOM 1538 C THR A 99 4.736 -0.074 8.762 1.00 0.00 C ATOM 1539 O THR A 99 5.906 -0.353 8.495 1.00 0.00 O ATOM 1540 CB THR A 99 3.978 0.206 11.121 1.00 0.00 C ATOM 1541 OG1 THR A 99 3.447 1.137 12.054 1.00 0.00 O ATOM 1542 CG2 THR A 99 5.186 -0.494 11.744 1.00 0.00 C ATOM 0 H THR A 99 2.523 1.840 9.987 1.00 0.00 H new ATOM 0 HA THR A 99 5.295 1.533 10.066 1.00 0.00 H new ATOM 0 HB THR A 99 3.217 -0.532 10.867 1.00 0.00 H new ATOM 0 HG1 THR A 99 2.485 1.244 11.898 1.00 0.00 H new ATOM 0 HG21 THR A 99 4.877 -1.015 12.650 1.00 0.00 H new ATOM 0 HG22 THR A 99 5.596 -1.212 11.034 1.00 0.00 H new ATOM 0 HG23 THR A 99 5.947 0.246 11.992 1.00 0.00 H new ATOM 1550 N TYR A 100 3.704 -0.620 8.130 1.00 0.00 N ATOM 1551 CA TYR A 100 3.895 -1.594 7.066 1.00 0.00 C ATOM 1552 C TYR A 100 4.665 -0.964 5.912 1.00 0.00 C ATOM 1553 O TYR A 100 5.646 -1.516 5.419 1.00 0.00 O ATOM 1554 CB TYR A 100 2.526 -2.025 6.556 1.00 0.00 C ATOM 1555 CG TYR A 100 2.693 -3.177 5.604 1.00 0.00 C ATOM 1556 CD1 TYR A 100 3.005 -2.932 4.264 1.00 0.00 C ATOM 1557 CD2 TYR A 100 2.530 -4.486 6.058 1.00 0.00 C ATOM 1558 CE1 TYR A 100 3.153 -4.005 3.376 1.00 0.00 C ATOM 1559 CE2 TYR A 100 2.678 -5.559 5.175 1.00 0.00 C ATOM 1560 CZ TYR A 100 2.989 -5.319 3.832 1.00 0.00 C ATOM 1561 OH TYR A 100 3.136 -6.377 2.956 1.00 0.00 O ATOM 0 H TYR A 100 2.729 -0.404 8.336 1.00 0.00 H new ATOM 0 HA TYR A 100 4.454 -2.447 7.451 1.00 0.00 H new ATOM 0 HB2 TYR A 100 1.889 -2.317 7.391 1.00 0.00 H new ATOM 0 HB3 TYR A 100 2.033 -1.192 6.055 1.00 0.00 H new ATOM 0 HD1 TYR A 100 3.132 -1.918 3.914 1.00 0.00 H new ATOM 0 HD2 TYR A 100 2.289 -4.671 7.094 1.00 0.00 H new ATOM 0 HE1 TYR A 100 3.394 -3.819 2.340 1.00 0.00 H new ATOM 0 HE2 TYR A 100 2.553 -6.572 5.529 1.00 0.00 H new ATOM 0 HH TYR A 100 3.229 -7.211 3.463 1.00 0.00 H new ATOM 1571 N ILE A 101 4.191 0.203 5.494 1.00 0.00 N ATOM 1572 CA ILE A 101 4.818 0.940 4.409 1.00 0.00 C ATOM 1573 C ILE A 101 6.238 1.309 4.818 1.00 0.00 C ATOM 1574 O ILE A 101 7.173 1.215 4.030 1.00 0.00 O ATOM 1575 CB ILE A 101 4.009 2.212 4.101 1.00 0.00 C ATOM 1576 CG1 ILE A 101 2.649 1.842 3.464 1.00 0.00 C ATOM 1577 CG2 ILE A 101 4.792 3.137 3.167 1.00 0.00 C ATOM 1578 CD1 ILE A 101 2.828 1.111 2.121 1.00 0.00 C ATOM 0 H ILE A 101 3.371 0.659 5.893 1.00 0.00 H new ATOM 0 HA ILE A 101 4.845 0.321 3.512 1.00 0.00 H new ATOM 0 HB ILE A 101 3.829 2.738 5.038 1.00 0.00 H new ATOM 0 HG12 ILE A 101 2.086 1.209 4.150 1.00 0.00 H new ATOM 0 HG13 ILE A 101 2.061 2.747 3.310 1.00 0.00 H new ATOM 0 HG21 ILE A 101 4.202 4.031 2.962 1.00 0.00 H new ATOM 0 HG22 ILE A 101 5.731 3.423 3.641 1.00 0.00 H new ATOM 0 HG23 ILE A 101 5.001 2.618 2.232 1.00 0.00 H new ATOM 0 HD11 ILE A 101 1.850 0.868 1.706 1.00 0.00 H new ATOM 0 HD12 ILE A 101 3.368 1.754 1.426 1.00 0.00 H new ATOM 0 HD13 ILE A 101 3.393 0.192 2.279 1.00 0.00 H new ATOM 1590 N GLN A 102 6.379 1.731 6.067 1.00 0.00 N ATOM 1591 CA GLN A 102 7.678 2.120 6.604 1.00 0.00 C ATOM 1592 C GLN A 102 8.741 1.083 6.275 1.00 0.00 C ATOM 1593 O GLN A 102 9.672 1.343 5.514 1.00 0.00 O ATOM 1594 CB GLN A 102 7.588 2.245 8.128 1.00 0.00 C ATOM 1595 CG GLN A 102 8.815 2.994 8.651 1.00 0.00 C ATOM 1596 CD GLN A 102 8.750 3.115 10.170 1.00 0.00 C ATOM 1597 OE1 GLN A 102 7.677 2.980 10.759 1.00 0.00 O ATOM 1598 NE2 GLN A 102 9.841 3.354 10.845 1.00 0.00 N ATOM 0 H GLN A 102 5.608 1.813 6.730 1.00 0.00 H new ATOM 0 HA GLN A 102 7.954 3.073 6.153 1.00 0.00 H new ATOM 0 HB2 GLN A 102 6.678 2.776 8.407 1.00 0.00 H new ATOM 0 HB3 GLN A 102 7.532 1.256 8.582 1.00 0.00 H new ATOM 0 HG2 GLN A 102 9.723 2.467 8.359 1.00 0.00 H new ATOM 0 HG3 GLN A 102 8.864 3.986 8.202 1.00 0.00 H new ATOM 0 HE21 GLN A 102 10.729 3.466 10.356 1.00 0.00 H new ATOM 0 HE22 GLN A 102 9.806 3.429 11.862 1.00 0.00 H new ATOM 1607 N GLU A 103 8.604 -0.085 6.881 1.00 0.00 N ATOM 1608 CA GLU A 103 9.575 -1.147 6.671 1.00 0.00 C ATOM 1609 C GLU A 103 9.682 -1.463 5.186 1.00 0.00 C ATOM 1610 O GLU A 103 10.777 -1.636 4.652 1.00 0.00 O ATOM 1611 CB GLU A 103 9.163 -2.394 7.463 1.00 0.00 C ATOM 1612 CG GLU A 103 7.683 -2.719 7.199 1.00 0.00 C ATOM 1613 CD GLU A 103 7.542 -3.530 5.913 1.00 0.00 C ATOM 1614 OE1 GLU A 103 8.558 -3.836 5.309 1.00 0.00 O ATOM 1615 OE2 GLU A 103 6.420 -3.809 5.535 1.00 0.00 O ATOM 0 H GLU A 103 7.840 -0.321 7.515 1.00 0.00 H new ATOM 0 HA GLU A 103 10.552 -0.819 7.026 1.00 0.00 H new ATOM 0 HB2 GLU A 103 9.787 -3.240 7.175 1.00 0.00 H new ATOM 0 HB3 GLU A 103 9.323 -2.228 8.528 1.00 0.00 H new ATOM 0 HG2 GLU A 103 7.271 -3.280 8.038 1.00 0.00 H new ATOM 0 HG3 GLU A 103 7.109 -1.796 7.120 1.00 0.00 H new ATOM 1622 N LEU A 104 8.534 -1.551 4.535 1.00 0.00 N ATOM 1623 CA LEU A 104 8.482 -1.864 3.120 1.00 0.00 C ATOM 1624 C LEU A 104 9.217 -0.805 2.314 1.00 0.00 C ATOM 1625 O LEU A 104 10.008 -1.120 1.432 1.00 0.00 O ATOM 1626 CB LEU A 104 7.017 -1.867 2.698 1.00 0.00 C ATOM 1627 CG LEU A 104 6.849 -2.387 1.261 1.00 0.00 C ATOM 1628 CD1 LEU A 104 6.954 -3.919 1.230 1.00 0.00 C ATOM 1629 CD2 LEU A 104 5.473 -1.960 0.735 1.00 0.00 C ATOM 0 H LEU A 104 7.622 -1.409 4.968 1.00 0.00 H new ATOM 0 HA LEU A 104 8.951 -2.831 2.941 1.00 0.00 H new ATOM 0 HB2 LEU A 104 6.441 -2.490 3.382 1.00 0.00 H new ATOM 0 HB3 LEU A 104 6.614 -0.857 2.771 1.00 0.00 H new ATOM 0 HG LEU A 104 7.637 -1.970 0.635 1.00 0.00 H new ATOM 0 HD11 LEU A 104 6.833 -4.271 0.206 1.00 0.00 H new ATOM 0 HD12 LEU A 104 7.931 -4.224 1.606 1.00 0.00 H new ATOM 0 HD13 LEU A 104 6.173 -4.350 1.857 1.00 0.00 H new ATOM 0 HD21 LEU A 104 5.344 -2.324 -0.284 1.00 0.00 H new ATOM 0 HD22 LEU A 104 4.694 -2.379 1.372 1.00 0.00 H new ATOM 0 HD23 LEU A 104 5.402 -0.872 0.743 1.00 0.00 H new ATOM 1641 N TYR A 105 8.944 0.453 2.632 1.00 0.00 N ATOM 1642 CA TYR A 105 9.565 1.566 1.932 1.00 0.00 C ATOM 1643 C TYR A 105 11.066 1.391 1.934 1.00 0.00 C ATOM 1644 O TYR A 105 11.736 1.561 0.915 1.00 0.00 O ATOM 1645 CB TYR A 105 9.213 2.862 2.659 1.00 0.00 C ATOM 1646 CG TYR A 105 9.796 4.042 1.925 1.00 0.00 C ATOM 1647 CD1 TYR A 105 9.151 4.543 0.789 1.00 0.00 C ATOM 1648 CD2 TYR A 105 10.977 4.640 2.383 1.00 0.00 C ATOM 1649 CE1 TYR A 105 9.687 5.641 0.110 1.00 0.00 C ATOM 1650 CE2 TYR A 105 11.512 5.738 1.703 1.00 0.00 C ATOM 1651 CZ TYR A 105 10.867 6.239 0.567 1.00 0.00 C ATOM 1652 OH TYR A 105 11.393 7.323 -0.105 1.00 0.00 O ATOM 0 H TYR A 105 8.296 0.727 3.371 1.00 0.00 H new ATOM 0 HA TYR A 105 9.205 1.601 0.904 1.00 0.00 H new ATOM 0 HB2 TYR A 105 8.130 2.966 2.729 1.00 0.00 H new ATOM 0 HB3 TYR A 105 9.597 2.832 3.679 1.00 0.00 H new ATOM 0 HD1 TYR A 105 8.240 4.082 0.437 1.00 0.00 H new ATOM 0 HD2 TYR A 105 11.474 4.253 3.261 1.00 0.00 H new ATOM 0 HE1 TYR A 105 9.190 6.028 -0.768 1.00 0.00 H new ATOM 0 HE2 TYR A 105 12.423 6.199 2.054 1.00 0.00 H new ATOM 0 HH TYR A 105 12.213 7.619 0.343 1.00 0.00 H new ATOM 1662 N ARG A 106 11.584 1.083 3.103 1.00 0.00 N ATOM 1663 CA ARG A 106 13.008 0.912 3.275 1.00 0.00 C ATOM 1664 C ARG A 106 13.531 -0.218 2.402 1.00 0.00 C ATOM 1665 O ARG A 106 14.595 -0.096 1.807 1.00 0.00 O ATOM 1666 CB ARG A 106 13.286 0.646 4.749 1.00 0.00 C ATOM 1667 CG ARG A 106 13.045 1.944 5.523 1.00 0.00 C ATOM 1668 CD ARG A 106 13.146 1.686 7.022 1.00 0.00 C ATOM 1669 NE ARG A 106 14.497 1.276 7.373 1.00 0.00 N ATOM 1670 CZ ARG A 106 14.806 0.951 8.621 1.00 0.00 C ATOM 1671 NH1 ARG A 106 14.878 1.878 9.536 1.00 0.00 N ATOM 1672 NH2 ARG A 106 15.035 -0.295 8.932 1.00 0.00 N ATOM 0 H ARG A 106 11.036 0.945 3.952 1.00 0.00 H new ATOM 0 HA ARG A 106 13.529 1.818 2.964 1.00 0.00 H new ATOM 0 HB2 ARG A 106 12.635 -0.145 5.122 1.00 0.00 H new ATOM 0 HB3 ARG A 106 14.312 0.306 4.887 1.00 0.00 H new ATOM 0 HG2 ARG A 106 13.776 2.695 5.225 1.00 0.00 H new ATOM 0 HG3 ARG A 106 12.060 2.344 5.280 1.00 0.00 H new ATOM 0 HD2 ARG A 106 12.878 2.588 7.572 1.00 0.00 H new ATOM 0 HD3 ARG A 106 12.436 0.912 7.313 1.00 0.00 H new ATOM 0 HE ARG A 106 15.216 1.238 6.650 1.00 0.00 H new ATOM 0 HH11 ARG A 106 14.697 2.851 9.291 1.00 0.00 H new ATOM 0 HH12 ARG A 106 15.116 1.629 10.496 1.00 0.00 H new ATOM 0 HH21 ARG A 106 14.976 -1.019 8.215 1.00 0.00 H new ATOM 0 HH22 ARG A 106 15.273 -0.546 9.892 1.00 0.00 H new ATOM 1686 N SER A 107 12.776 -1.307 2.305 1.00 0.00 N ATOM 1687 CA SER A 107 13.201 -2.422 1.466 1.00 0.00 C ATOM 1688 C SER A 107 13.353 -1.956 0.015 1.00 0.00 C ATOM 1689 O SER A 107 14.275 -2.367 -0.689 1.00 0.00 O ATOM 1690 CB SER A 107 12.187 -3.564 1.536 1.00 0.00 C ATOM 1691 OG SER A 107 11.995 -3.942 2.894 1.00 0.00 O ATOM 0 H SER A 107 11.886 -1.441 2.785 1.00 0.00 H new ATOM 0 HA SER A 107 14.162 -2.783 1.833 1.00 0.00 H new ATOM 0 HB2 SER A 107 11.240 -3.252 1.096 1.00 0.00 H new ATOM 0 HB3 SER A 107 12.542 -4.416 0.956 1.00 0.00 H new ATOM 0 HG SER A 107 11.474 -3.252 3.355 1.00 0.00 H new ATOM 1697 N LEU A 108 12.436 -1.095 -0.427 1.00 0.00 N ATOM 1698 CA LEU A 108 12.478 -0.569 -1.788 1.00 0.00 C ATOM 1699 C LEU A 108 13.657 0.377 -1.978 1.00 0.00 C ATOM 1700 O LEU A 108 14.258 0.432 -3.053 1.00 0.00 O ATOM 1701 CB LEU A 108 11.196 0.203 -2.111 1.00 0.00 C ATOM 1702 CG LEU A 108 9.954 -0.649 -1.836 1.00 0.00 C ATOM 1703 CD1 LEU A 108 8.704 0.217 -2.021 1.00 0.00 C ATOM 1704 CD2 LEU A 108 9.899 -1.831 -2.813 1.00 0.00 C ATOM 0 H LEU A 108 11.659 -0.749 0.136 1.00 0.00 H new ATOM 0 HA LEU A 108 12.581 -1.425 -2.455 1.00 0.00 H new ATOM 0 HB2 LEU A 108 11.156 1.113 -1.513 1.00 0.00 H new ATOM 0 HB3 LEU A 108 11.206 0.509 -3.157 1.00 0.00 H new ATOM 0 HG LEU A 108 9.998 -1.032 -0.816 1.00 0.00 H new ATOM 0 HD11 LEU A 108 7.814 -0.382 -1.827 1.00 0.00 H new ATOM 0 HD12 LEU A 108 8.736 1.055 -1.325 1.00 0.00 H new ATOM 0 HD13 LEU A 108 8.671 0.595 -3.043 1.00 0.00 H new ATOM 0 HD21 LEU A 108 9.012 -2.431 -2.609 1.00 0.00 H new ATOM 0 HD22 LEU A 108 9.856 -1.456 -3.836 1.00 0.00 H new ATOM 0 HD23 LEU A 108 10.790 -2.447 -2.689 1.00 0.00 H new ATOM 1716 N VAL A 109 13.954 1.161 -0.947 1.00 0.00 N ATOM 1717 CA VAL A 109 15.029 2.134 -1.031 1.00 0.00 C ATOM 1718 C VAL A 109 16.368 1.442 -1.232 1.00 0.00 C ATOM 1719 O VAL A 109 17.146 1.829 -2.107 1.00 0.00 O ATOM 1720 CB VAL A 109 15.046 2.986 0.240 1.00 0.00 C ATOM 1721 CG1 VAL A 109 16.314 3.841 0.280 1.00 0.00 C ATOM 1722 CG2 VAL A 109 13.821 3.906 0.248 1.00 0.00 C ATOM 0 H VAL A 109 13.467 1.140 -0.051 1.00 0.00 H new ATOM 0 HA VAL A 109 14.857 2.781 -1.891 1.00 0.00 H new ATOM 0 HB VAL A 109 15.026 2.330 1.110 1.00 0.00 H new ATOM 0 HG11 VAL A 109 16.318 4.444 1.188 1.00 0.00 H new ATOM 0 HG12 VAL A 109 17.190 3.193 0.271 1.00 0.00 H new ATOM 0 HG13 VAL A 109 16.339 4.496 -0.591 1.00 0.00 H new ATOM 0 HG21 VAL A 109 13.829 4.515 1.152 1.00 0.00 H new ATOM 0 HG22 VAL A 109 13.848 4.555 -0.627 1.00 0.00 H new ATOM 0 HG23 VAL A 109 12.913 3.303 0.225 1.00 0.00 H new ATOM 1732 N GLN A 110 16.633 0.420 -0.430 1.00 0.00 N ATOM 1733 CA GLN A 110 17.883 -0.308 -0.552 1.00 0.00 C ATOM 1734 C GLN A 110 17.922 -1.023 -1.892 1.00 0.00 C ATOM 1735 O GLN A 110 18.938 -1.009 -2.588 1.00 0.00 O ATOM 1736 CB GLN A 110 18.031 -1.327 0.586 1.00 0.00 C ATOM 1737 CG GLN A 110 16.785 -2.221 0.674 1.00 0.00 C ATOM 1738 CD GLN A 110 16.823 -3.088 1.931 1.00 0.00 C ATOM 1739 OE1 GLN A 110 17.029 -4.300 1.845 1.00 0.00 O ATOM 1740 NE2 GLN A 110 16.621 -2.542 3.099 1.00 0.00 N ATOM 0 H GLN A 110 16.008 0.082 0.301 1.00 0.00 H new ATOM 0 HA GLN A 110 18.709 0.400 -0.489 1.00 0.00 H new ATOM 0 HB2 GLN A 110 18.916 -1.942 0.419 1.00 0.00 H new ATOM 0 HB3 GLN A 110 18.179 -0.806 1.532 1.00 0.00 H new ATOM 0 HG2 GLN A 110 15.888 -1.602 0.682 1.00 0.00 H new ATOM 0 HG3 GLN A 110 16.726 -2.857 -0.209 1.00 0.00 H new ATOM 0 HE21 GLN A 110 16.451 -1.539 3.170 1.00 0.00 H new ATOM 0 HE22 GLN A 110 16.634 -3.118 3.940 1.00 0.00 H new ATOM 1749 N LYS A 111 16.800 -1.643 -2.242 1.00 0.00 N ATOM 1750 CA LYS A 111 16.698 -2.363 -3.499 1.00 0.00 C ATOM 1751 C LYS A 111 16.916 -1.411 -4.675 1.00 0.00 C ATOM 1752 O LYS A 111 17.314 -1.832 -5.760 1.00 0.00 O ATOM 1753 CB LYS A 111 15.322 -3.044 -3.618 1.00 0.00 C ATOM 1754 CG LYS A 111 15.279 -4.323 -2.761 1.00 0.00 C ATOM 1755 CD LYS A 111 13.872 -4.950 -2.817 1.00 0.00 C ATOM 1756 CE LYS A 111 13.735 -5.813 -4.079 1.00 0.00 C ATOM 1757 NZ LYS A 111 12.387 -6.451 -4.106 1.00 0.00 N ATOM 0 H LYS A 111 15.953 -1.660 -1.673 1.00 0.00 H new ATOM 0 HA LYS A 111 17.471 -3.131 -3.521 1.00 0.00 H new ATOM 0 HB2 LYS A 111 14.540 -2.356 -3.296 1.00 0.00 H new ATOM 0 HB3 LYS A 111 15.120 -3.290 -4.660 1.00 0.00 H new ATOM 0 HG2 LYS A 111 16.019 -5.037 -3.122 1.00 0.00 H new ATOM 0 HG3 LYS A 111 15.540 -4.088 -1.729 1.00 0.00 H new ATOM 0 HD2 LYS A 111 13.700 -5.559 -1.929 1.00 0.00 H new ATOM 0 HD3 LYS A 111 13.115 -4.166 -2.818 1.00 0.00 H new ATOM 0 HE2 LYS A 111 13.876 -5.199 -4.969 1.00 0.00 H new ATOM 0 HE3 LYS A 111 14.511 -6.578 -4.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 12.448 -7.370 -4.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 12.050 -6.592 -3.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 11.722 -5.836 -4.616 1.00 0.00 H new ATOM 1771 N GLY A 112 16.635 -0.127 -4.456 1.00 0.00 N ATOM 1772 CA GLY A 112 16.792 0.875 -5.512 1.00 0.00 C ATOM 1773 C GLY A 112 15.535 0.925 -6.365 1.00 0.00 C ATOM 1774 O GLY A 112 15.540 1.426 -7.491 1.00 0.00 O ATOM 0 H GLY A 112 16.301 0.243 -3.566 1.00 0.00 H new ATOM 0 HA2 GLY A 112 16.983 1.854 -5.072 1.00 0.00 H new ATOM 0 HA3 GLY A 112 17.654 0.631 -6.133 1.00 0.00 H new ATOM 1778 N LEU A 113 14.462 0.406 -5.792 1.00 0.00 N ATOM 1779 CA LEU A 113 13.162 0.381 -6.441 1.00 0.00 C ATOM 1780 C LEU A 113 12.504 1.761 -6.402 1.00 0.00 C ATOM 1781 O LEU A 113 11.883 2.194 -7.372 1.00 0.00 O ATOM 1782 CB LEU A 113 12.277 -0.648 -5.721 1.00 0.00 C ATOM 1783 CG LEU A 113 12.527 -2.062 -6.266 1.00 0.00 C ATOM 1784 CD1 LEU A 113 11.727 -3.065 -5.432 1.00 0.00 C ATOM 1785 CD2 LEU A 113 12.090 -2.151 -7.747 1.00 0.00 C ATOM 0 H LEU A 113 14.468 -0.011 -4.861 1.00 0.00 H new ATOM 0 HA LEU A 113 13.286 0.103 -7.488 1.00 0.00 H new ATOM 0 HB2 LEU A 113 12.482 -0.625 -4.651 1.00 0.00 H new ATOM 0 HB3 LEU A 113 11.227 -0.384 -5.850 1.00 0.00 H new ATOM 0 HG LEU A 113 13.591 -2.290 -6.203 1.00 0.00 H new ATOM 0 HD11 LEU A 113 11.898 -4.072 -5.812 1.00 0.00 H new ATOM 0 HD12 LEU A 113 12.047 -3.010 -4.391 1.00 0.00 H new ATOM 0 HD13 LEU A 113 10.665 -2.828 -5.498 1.00 0.00 H new ATOM 0 HD21 LEU A 113 12.273 -3.159 -8.120 1.00 0.00 H new ATOM 0 HD22 LEU A 113 11.027 -1.922 -7.827 1.00 0.00 H new ATOM 0 HD23 LEU A 113 12.661 -1.436 -8.339 1.00 0.00 H new ATOM 1797 N VAL A 114 12.626 2.433 -5.262 1.00 0.00 N ATOM 1798 CA VAL A 114 12.021 3.751 -5.086 1.00 0.00 C ATOM 1799 C VAL A 114 12.626 4.772 -6.050 1.00 0.00 C ATOM 1800 O VAL A 114 11.926 5.651 -6.554 1.00 0.00 O ATOM 1801 CB VAL A 114 12.167 4.203 -3.608 1.00 0.00 C ATOM 1802 CG1 VAL A 114 12.213 5.736 -3.497 1.00 0.00 C ATOM 1803 CG2 VAL A 114 10.973 3.677 -2.783 1.00 0.00 C ATOM 0 H VAL A 114 13.136 2.089 -4.448 1.00 0.00 H new ATOM 0 HA VAL A 114 10.959 3.684 -5.322 1.00 0.00 H new ATOM 0 HB VAL A 114 13.102 3.796 -3.223 1.00 0.00 H new ATOM 0 HG11 VAL A 114 12.316 6.022 -2.450 1.00 0.00 H new ATOM 0 HG12 VAL A 114 13.064 6.116 -4.062 1.00 0.00 H new ATOM 0 HG13 VAL A 114 11.292 6.158 -3.900 1.00 0.00 H new ATOM 0 HG21 VAL A 114 11.079 3.996 -1.746 1.00 0.00 H new ATOM 0 HG22 VAL A 114 10.044 4.075 -3.192 1.00 0.00 H new ATOM 0 HG23 VAL A 114 10.952 2.588 -2.827 1.00 0.00 H new ATOM 1813 N LYS A 115 13.918 4.652 -6.306 1.00 0.00 N ATOM 1814 CA LYS A 115 14.604 5.573 -7.218 1.00 0.00 C ATOM 1815 C LYS A 115 14.932 4.874 -8.535 1.00 0.00 C ATOM 1816 O LYS A 115 15.823 4.024 -8.595 1.00 0.00 O ATOM 1817 CB LYS A 115 15.893 6.076 -6.566 1.00 0.00 C ATOM 1818 CG LYS A 115 16.431 7.305 -7.342 1.00 0.00 C ATOM 1819 CD LYS A 115 17.967 7.272 -7.392 1.00 0.00 C ATOM 1820 CE LYS A 115 18.561 7.411 -5.973 1.00 0.00 C ATOM 1821 NZ LYS A 115 19.063 8.798 -5.782 1.00 0.00 N ATOM 0 H LYS A 115 14.517 3.932 -5.901 1.00 0.00 H new ATOM 0 HA LYS A 115 13.946 6.417 -7.425 1.00 0.00 H new ATOM 0 HB2 LYS A 115 15.704 6.345 -5.527 1.00 0.00 H new ATOM 0 HB3 LYS A 115 16.641 5.283 -6.559 1.00 0.00 H new ATOM 0 HG2 LYS A 115 16.027 7.310 -8.354 1.00 0.00 H new ATOM 0 HG3 LYS A 115 16.095 8.223 -6.860 1.00 0.00 H new ATOM 0 HD2 LYS A 115 18.301 6.337 -7.842 1.00 0.00 H new ATOM 0 HD3 LYS A 115 18.333 8.080 -8.026 1.00 0.00 H new ATOM 0 HE2 LYS A 115 17.802 7.181 -5.225 1.00 0.00 H new ATOM 0 HE3 LYS A 115 19.372 6.696 -5.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 19.463 8.894 -4.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 19.799 9.001 -6.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 18.278 9.470 -5.897 1.00 0.00 H new ATOM 1835 N THR A 116 14.203 5.236 -9.590 1.00 0.00 N ATOM 1836 CA THR A 116 14.412 4.634 -10.911 1.00 0.00 C ATOM 1837 C THR A 116 15.104 5.603 -11.853 1.00 0.00 C ATOM 1838 O THR A 116 16.026 5.231 -12.577 1.00 0.00 O ATOM 1839 CB THR A 116 13.065 4.205 -11.508 1.00 0.00 C ATOM 1840 OG1 THR A 116 13.155 4.217 -12.925 1.00 0.00 O ATOM 1841 CG2 THR A 116 11.966 5.170 -11.058 1.00 0.00 C ATOM 0 H THR A 116 13.465 5.940 -9.559 1.00 0.00 H new ATOM 0 HA THR A 116 15.053 3.761 -10.788 1.00 0.00 H new ATOM 0 HB THR A 116 12.821 3.200 -11.164 1.00 0.00 H new ATOM 0 HG1 THR A 116 12.297 3.942 -13.310 1.00 0.00 H new ATOM 0 HG21 THR A 116 11.012 4.860 -11.485 1.00 0.00 H new ATOM 0 HG22 THR A 116 11.897 5.161 -9.970 1.00 0.00 H new ATOM 0 HG23 THR A 116 12.205 6.178 -11.398 1.00 0.00 H new ATOM 1849 N LYS A 117 14.643 6.844 -11.847 1.00 0.00 N ATOM 1850 CA LYS A 117 15.215 7.879 -12.714 1.00 0.00 C ATOM 1851 C LYS A 117 15.354 9.205 -11.977 1.00 0.00 C ATOM 1852 O LYS A 117 14.380 9.735 -11.452 1.00 0.00 O ATOM 1853 CB LYS A 117 14.318 8.077 -13.942 1.00 0.00 C ATOM 1854 CG LYS A 117 14.469 6.885 -14.904 1.00 0.00 C ATOM 1855 CD LYS A 117 15.678 7.107 -15.816 1.00 0.00 C ATOM 1856 CE LYS A 117 15.741 5.994 -16.855 1.00 0.00 C ATOM 1857 NZ LYS A 117 16.025 4.698 -16.178 1.00 0.00 N ATOM 0 H LYS A 117 13.877 7.165 -11.255 1.00 0.00 H new ATOM 0 HA LYS A 117 16.207 7.549 -13.022 1.00 0.00 H new ATOM 0 HB2 LYS A 117 13.278 8.174 -13.631 1.00 0.00 H new ATOM 0 HB3 LYS A 117 14.585 9.002 -14.452 1.00 0.00 H new ATOM 0 HG2 LYS A 117 14.593 5.962 -14.338 1.00 0.00 H new ATOM 0 HG3 LYS A 117 13.565 6.772 -15.503 1.00 0.00 H new ATOM 0 HD2 LYS A 117 15.602 8.076 -16.309 1.00 0.00 H new ATOM 0 HD3 LYS A 117 16.594 7.121 -15.226 1.00 0.00 H new ATOM 0 HE2 LYS A 117 14.797 5.934 -17.397 1.00 0.00 H new ATOM 0 HE3 LYS A 117 16.517 6.211 -17.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 16.302 3.989 -16.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 16.799 4.825 -15.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 15.173 4.373 -15.678 1.00 0.00 H new ATOM 1871 N LYS A 118 16.569 9.745 -11.960 1.00 0.00 N ATOM 1872 CA LYS A 118 16.818 11.023 -11.299 1.00 0.00 C ATOM 1873 C LYS A 118 16.407 12.175 -12.216 1.00 0.00 C ATOM 1874 O LYS A 118 16.466 12.058 -13.438 1.00 0.00 O ATOM 1875 CB LYS A 118 18.307 11.136 -10.930 1.00 0.00 C ATOM 1876 CG LYS A 118 18.496 12.085 -9.738 1.00 0.00 C ATOM 1877 CD LYS A 118 19.963 12.052 -9.281 1.00 0.00 C ATOM 1878 CE LYS A 118 20.855 12.744 -10.318 1.00 0.00 C ATOM 1879 NZ LYS A 118 22.170 13.071 -9.699 1.00 0.00 N ATOM 0 H LYS A 118 17.391 9.322 -12.392 1.00 0.00 H new ATOM 0 HA LYS A 118 16.224 11.077 -10.386 1.00 0.00 H new ATOM 0 HB2 LYS A 118 18.702 10.151 -10.684 1.00 0.00 H new ATOM 0 HB3 LYS A 118 18.873 11.502 -11.787 1.00 0.00 H new ATOM 0 HG2 LYS A 118 18.215 13.100 -10.020 1.00 0.00 H new ATOM 0 HG3 LYS A 118 17.842 11.789 -8.918 1.00 0.00 H new ATOM 0 HD2 LYS A 118 20.062 12.548 -8.316 1.00 0.00 H new ATOM 0 HD3 LYS A 118 20.286 11.020 -9.143 1.00 0.00 H new ATOM 0 HE2 LYS A 118 20.998 12.095 -11.182 1.00 0.00 H new ATOM 0 HE3 LYS A 118 20.374 13.653 -10.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 22.777 13.541 -10.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 22.024 13.705 -8.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 22.629 12.196 -9.375 1.00 0.00 H new ATOM 1893 N LYS A 119 15.984 13.284 -11.618 1.00 0.00 N ATOM 1894 CA LYS A 119 15.555 14.442 -12.394 1.00 0.00 C ATOM 1895 C LYS A 119 14.409 14.067 -13.329 1.00 0.00 C ATOM 1896 O LYS A 119 13.756 14.972 -13.820 1.00 0.00 O ATOM 1897 CB LYS A 119 16.749 14.993 -13.217 1.00 0.00 C ATOM 1898 CG LYS A 119 17.177 16.367 -12.682 1.00 0.00 C ATOM 1899 CD LYS A 119 16.202 17.431 -13.200 1.00 0.00 C ATOM 1900 CE LYS A 119 16.588 18.796 -12.637 1.00 0.00 C ATOM 1901 NZ LYS A 119 17.883 19.228 -13.233 1.00 0.00 N ATOM 1902 OXT LYS A 119 14.219 12.885 -13.554 1.00 0.00 O ATOM 0 H LYS A 119 15.929 13.405 -10.607 1.00 0.00 H new ATOM 0 HA LYS A 119 15.203 15.212 -11.707 1.00 0.00 H new ATOM 0 HB2 LYS A 119 17.587 14.298 -13.165 1.00 0.00 H new ATOM 0 HB3 LYS A 119 16.468 15.075 -14.267 1.00 0.00 H new ATOM 0 HG2 LYS A 119 17.183 16.361 -11.592 1.00 0.00 H new ATOM 0 HG3 LYS A 119 18.192 16.597 -13.005 1.00 0.00 H new ATOM 0 HD2 LYS A 119 16.221 17.457 -14.290 1.00 0.00 H new ATOM 0 HD3 LYS A 119 15.183 17.180 -12.905 1.00 0.00 H new ATOM 0 HE2 LYS A 119 15.811 19.527 -12.860 1.00 0.00 H new ATOM 0 HE3 LYS A 119 16.674 18.743 -11.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 18.016 20.247 -13.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 18.662 18.703 -12.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 17.876 19.037 -14.255 1.00 0.00 H new TER 1916 LYS A 119