USER MOD reduce.3.24.130724 H: found=0, std=0, add=865, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 866 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 67 THR OG1 : rot 130:sc= 0.0117 USER MOD Set 1.2: A 82 MET CE :methyl 172:sc= -1.75! (180deg=-1.73) USER MOD Set 2.1: A 20 GLN : amide:sc= -1.34 K(o=-0.53,f=-14!) USER MOD Set 2.2: A 23 LYS NZ :NH3+ 147:sc= 0.807 (180deg=-0.906) USER MOD Set 3.1: A 13 THR OG1 : rot -174:sc= 1.05 USER MOD Set 3.2: A 16 THR OG1 : rot 108:sc= 1.25 USER MOD Single : A 7 GLN : amide:sc= -1.5! C(o=-1.5!,f=-6.4!) USER MOD Single : A 11 CYS SG : rot 180:sc= -0.463 USER MOD Single : A 12 HIS : no HE2:sc= 0.972 K(o=0.97,f=-5.9!) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=-0.036) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.044) USER MOD Single : A 27 SER OG : rot 82:sc= 0.48 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= -3.02! USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 168:sc= -0.0338 (180deg=-0.205) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -0.155 X(o=-0.15,f=-0.11) USER MOD Single : A 64 LYS NZ :NH3+ 147:sc= -0.0144 (180deg=-2.5!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc= -0.844 X(o=-0.84,f=-0.97) USER MOD Single : A 84 THR OG1 : rot -8:sc= 0.0493 USER MOD Single : A 86 MET CE :methyl -146:sc= -1.37 (180deg=-3.55!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ -166:sc= -0.0245 (180deg=-0.267) USER MOD Single : A 96 LYS NZ :NH3+ 155:sc= -1.76! (180deg=-3.38!) USER MOD Single : A 101 LYS NZ :NH3+ 135:sc= 1.33 (180deg=-0.135) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 GLN : amide:sc= -1.07 K(o=-1.1,f=-2.2) USER MOD Single : A 107 SER OG : rot 74:sc= 0.203 USER MOD Single : A 108 THR OG1 : rot 71:sc= 0.485 USER MOD Single : A 111 LYS NZ :NH3+ 151:sc= 1.14 (180deg=-0.415!) USER MOD Single : A 112 HIS : no HD1:sc= -3.19! C(o=-3.2!,f=-4.3!) USER MOD ----------------------------------------------------------------- ATOM 69 N GLY A 6 -4.255 -1.203 -12.398 1.00 0.00 N ATOM 70 CA GLY A 6 -3.407 -2.333 -12.074 1.00 0.00 C ATOM 71 C GLY A 6 -1.970 -1.967 -11.800 1.00 0.00 C ATOM 72 O GLY A 6 -1.119 -2.858 -11.642 1.00 0.00 O ATOM 0 HA2 GLY A 6 -3.814 -2.840 -11.199 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -3.438 -3.045 -12.899 1.00 0.00 H new ATOM 76 N GLN A 7 -1.674 -0.691 -11.729 1.00 0.00 N ATOM 77 CA GLN A 7 -0.323 -0.290 -11.472 1.00 0.00 C ATOM 78 C GLN A 7 -0.160 0.226 -10.080 1.00 0.00 C ATOM 79 O GLN A 7 -1.031 0.897 -9.532 1.00 0.00 O ATOM 80 CB GLN A 7 0.182 0.715 -12.461 1.00 0.00 C ATOM 81 CG GLN A 7 0.104 0.262 -13.927 1.00 0.00 C ATOM 82 CD GLN A 7 0.996 -0.943 -14.244 1.00 0.00 C ATOM 83 OE1 GLN A 7 1.270 -1.792 -13.392 1.00 0.00 O ATOM 84 NE2 GLN A 7 1.446 -1.028 -15.464 1.00 0.00 N ATOM 0 H GLN A 7 -2.342 0.071 -11.844 1.00 0.00 H new ATOM 0 HA GLN A 7 0.283 -1.189 -11.585 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -0.390 1.636 -12.348 1.00 0.00 H new ATOM 0 HB3 GLN A 7 1.219 0.952 -12.222 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -0.929 0.012 -14.167 1.00 0.00 H new ATOM 0 HG3 GLN A 7 0.388 1.094 -14.571 1.00 0.00 H new ATOM 0 HE21 GLN A 7 1.203 -0.311 -16.148 1.00 0.00 H new ATOM 0 HE22 GLN A 7 2.041 -1.811 -15.735 1.00 0.00 H new ATOM 93 N VAL A 8 0.933 -0.118 -9.526 1.00 0.00 N ATOM 94 CA VAL A 8 1.299 0.239 -8.180 1.00 0.00 C ATOM 95 C VAL A 8 2.564 1.090 -8.227 1.00 0.00 C ATOM 96 O VAL A 8 3.483 0.788 -9.005 1.00 0.00 O ATOM 97 CB VAL A 8 1.559 -1.034 -7.328 1.00 0.00 C ATOM 98 CG1 VAL A 8 1.917 -0.678 -5.903 1.00 0.00 C ATOM 99 CG2 VAL A 8 0.352 -1.965 -7.355 1.00 0.00 C ATOM 0 H VAL A 8 1.640 -0.679 -10.001 1.00 0.00 H new ATOM 0 HA VAL A 8 0.483 0.798 -7.722 1.00 0.00 H new ATOM 0 HB VAL A 8 2.408 -1.556 -7.770 1.00 0.00 H new ATOM 0 HG11 VAL A 8 2.093 -1.590 -5.333 1.00 0.00 H new ATOM 0 HG12 VAL A 8 2.819 -0.067 -5.896 1.00 0.00 H new ATOM 0 HG13 VAL A 8 1.097 -0.120 -5.450 1.00 0.00 H new ATOM 0 HG21 VAL A 8 0.560 -2.848 -6.751 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.517 -1.446 -6.951 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.149 -2.268 -8.382 1.00 0.00 H new ATOM 109 N ILE A 9 2.625 2.133 -7.423 1.00 0.00 N ATOM 110 CA ILE A 9 3.796 2.970 -7.393 1.00 0.00 C ATOM 111 C ILE A 9 4.808 2.389 -6.415 1.00 0.00 C ATOM 112 O ILE A 9 4.558 2.323 -5.213 1.00 0.00 O ATOM 113 CB ILE A 9 3.477 4.463 -7.022 1.00 0.00 C ATOM 114 CG1 ILE A 9 2.624 5.165 -8.108 1.00 0.00 C ATOM 115 CG2 ILE A 9 4.760 5.258 -6.780 1.00 0.00 C ATOM 116 CD1 ILE A 9 1.191 4.674 -8.254 1.00 0.00 C ATOM 0 H ILE A 9 1.879 2.416 -6.787 1.00 0.00 H new ATOM 0 HA ILE A 9 4.210 2.985 -8.401 1.00 0.00 H new ATOM 0 HB ILE A 9 2.895 4.436 -6.101 1.00 0.00 H new ATOM 0 HG12 ILE A 9 2.600 6.232 -7.889 1.00 0.00 H new ATOM 0 HG13 ILE A 9 3.127 5.048 -9.068 1.00 0.00 H new ATOM 0 HG21 ILE A 9 4.508 6.287 -6.525 1.00 0.00 H new ATOM 0 HG22 ILE A 9 5.318 4.807 -5.959 1.00 0.00 H new ATOM 0 HG23 ILE A 9 5.371 5.247 -7.683 1.00 0.00 H new ATOM 0 HD11 ILE A 9 0.692 5.237 -9.043 1.00 0.00 H new ATOM 0 HD12 ILE A 9 1.194 3.615 -8.511 1.00 0.00 H new ATOM 0 HD13 ILE A 9 0.659 4.818 -7.313 1.00 0.00 H new ATOM 128 N ALA A 10 5.923 1.945 -6.926 1.00 0.00 N ATOM 129 CA ALA A 10 6.953 1.374 -6.103 1.00 0.00 C ATOM 130 C ALA A 10 8.034 2.399 -5.838 1.00 0.00 C ATOM 131 O ALA A 10 8.796 2.761 -6.741 1.00 0.00 O ATOM 132 CB ALA A 10 7.533 0.125 -6.747 1.00 0.00 C ATOM 0 H ALA A 10 6.143 1.969 -7.922 1.00 0.00 H new ATOM 0 HA ALA A 10 6.513 1.080 -5.150 1.00 0.00 H new ATOM 0 HB1 ALA A 10 8.311 -0.288 -6.104 1.00 0.00 H new ATOM 0 HB2 ALA A 10 6.744 -0.614 -6.883 1.00 0.00 H new ATOM 0 HB3 ALA A 10 7.961 0.381 -7.716 1.00 0.00 H new ATOM 138 N CYS A 11 8.096 2.875 -4.624 1.00 0.00 N ATOM 139 CA CYS A 11 9.054 3.853 -4.258 1.00 0.00 C ATOM 140 C CYS A 11 10.285 3.164 -3.737 1.00 0.00 C ATOM 141 O CYS A 11 10.198 2.295 -2.876 1.00 0.00 O ATOM 142 CB CYS A 11 8.489 4.739 -3.174 1.00 0.00 C ATOM 143 SG CYS A 11 6.874 5.453 -3.563 1.00 0.00 S ATOM 0 H CYS A 11 7.476 2.587 -3.867 1.00 0.00 H new ATOM 0 HA CYS A 11 9.304 4.459 -5.129 1.00 0.00 H new ATOM 0 HB2 CYS A 11 8.405 4.160 -2.254 1.00 0.00 H new ATOM 0 HB3 CYS A 11 9.193 5.548 -2.978 1.00 0.00 H new ATOM 0 HG CYS A 11 6.476 6.193 -2.571 1.00 0.00 H new ATOM 149 N HIS A 12 11.417 3.529 -4.260 1.00 0.00 N ATOM 150 CA HIS A 12 12.667 2.956 -3.814 1.00 0.00 C ATOM 151 C HIS A 12 13.548 4.042 -3.253 1.00 0.00 C ATOM 152 O HIS A 12 14.714 3.823 -2.953 1.00 0.00 O ATOM 153 CB HIS A 12 13.371 2.210 -4.947 1.00 0.00 C ATOM 154 CG HIS A 12 12.551 1.104 -5.528 1.00 0.00 C ATOM 155 ND1 HIS A 12 12.288 -0.062 -4.865 1.00 0.00 N ATOM 156 CD2 HIS A 12 11.911 1.008 -6.712 1.00 0.00 C ATOM 157 CE1 HIS A 12 11.530 -0.831 -5.605 1.00 0.00 C ATOM 158 NE2 HIS A 12 11.282 -0.208 -6.736 1.00 0.00 N ATOM 0 H HIS A 12 11.508 4.224 -5.001 1.00 0.00 H new ATOM 0 HA HIS A 12 12.458 2.228 -3.030 1.00 0.00 H new ATOM 0 HB2 HIS A 12 13.624 2.918 -5.736 1.00 0.00 H new ATOM 0 HB3 HIS A 12 14.309 1.800 -4.574 1.00 0.00 H new ATOM 0 HD1 HIS A 12 12.631 -0.297 -3.934 1.00 0.00 H new ATOM 0 HD2 HIS A 12 11.897 1.752 -7.495 1.00 0.00 H new ATOM 0 HE1 HIS A 12 11.169 -1.812 -5.332 1.00 0.00 H new ATOM 167 N THR A 13 12.963 5.209 -3.085 1.00 0.00 N ATOM 168 CA THR A 13 13.654 6.358 -2.549 1.00 0.00 C ATOM 169 C THR A 13 12.736 7.106 -1.600 1.00 0.00 C ATOM 170 O THR A 13 11.508 7.152 -1.820 1.00 0.00 O ATOM 171 CB THR A 13 14.155 7.311 -3.668 1.00 0.00 C ATOM 172 OG1 THR A 13 13.091 7.600 -4.583 1.00 0.00 O ATOM 173 CG2 THR A 13 15.347 6.727 -4.419 1.00 0.00 C ATOM 0 H THR A 13 11.986 5.386 -3.319 1.00 0.00 H new ATOM 0 HA THR A 13 14.532 5.999 -2.011 1.00 0.00 H new ATOM 0 HB THR A 13 14.484 8.234 -3.191 1.00 0.00 H new ATOM 0 HG1 THR A 13 13.439 8.124 -5.335 1.00 0.00 H new ATOM 0 HG21 THR A 13 15.667 7.425 -5.193 1.00 0.00 H new ATOM 0 HG22 THR A 13 16.168 6.557 -3.722 1.00 0.00 H new ATOM 0 HG23 THR A 13 15.060 5.782 -4.879 1.00 0.00 H new ATOM 181 N VAL A 14 13.306 7.684 -0.549 1.00 0.00 N ATOM 182 CA VAL A 14 12.525 8.391 0.456 1.00 0.00 C ATOM 183 C VAL A 14 11.892 9.670 -0.125 1.00 0.00 C ATOM 184 O VAL A 14 10.852 10.123 0.339 1.00 0.00 O ATOM 185 CB VAL A 14 13.356 8.687 1.759 1.00 0.00 C ATOM 186 CG1 VAL A 14 14.550 9.584 1.491 1.00 0.00 C ATOM 187 CG2 VAL A 14 12.483 9.254 2.875 1.00 0.00 C ATOM 0 H VAL A 14 14.310 7.676 -0.371 1.00 0.00 H new ATOM 0 HA VAL A 14 11.712 7.729 0.754 1.00 0.00 H new ATOM 0 HB VAL A 14 13.744 7.727 2.098 1.00 0.00 H new ATOM 0 HG11 VAL A 14 15.090 9.758 2.421 1.00 0.00 H new ATOM 0 HG12 VAL A 14 15.212 9.103 0.771 1.00 0.00 H new ATOM 0 HG13 VAL A 14 14.206 10.536 1.087 1.00 0.00 H new ATOM 0 HG21 VAL A 14 13.096 9.444 3.756 1.00 0.00 H new ATOM 0 HG22 VAL A 14 12.027 10.187 2.542 1.00 0.00 H new ATOM 0 HG23 VAL A 14 11.701 8.537 3.125 1.00 0.00 H new ATOM 197 N GLU A 15 12.508 10.218 -1.166 1.00 0.00 N ATOM 198 CA GLU A 15 11.973 11.398 -1.832 1.00 0.00 C ATOM 199 C GLU A 15 10.659 11.069 -2.504 1.00 0.00 C ATOM 200 O GLU A 15 9.673 11.771 -2.314 1.00 0.00 O ATOM 201 CB GLU A 15 12.943 11.927 -2.871 1.00 0.00 C ATOM 202 CG GLU A 15 12.465 13.188 -3.564 1.00 0.00 C ATOM 203 CD GLU A 15 13.436 13.687 -4.579 1.00 0.00 C ATOM 204 OE1 GLU A 15 14.397 14.373 -4.197 1.00 0.00 O ATOM 205 OE2 GLU A 15 13.250 13.408 -5.784 1.00 0.00 O ATOM 0 H GLU A 15 13.377 9.864 -1.566 1.00 0.00 H new ATOM 0 HA GLU A 15 11.817 12.165 -1.073 1.00 0.00 H new ATOM 0 HB2 GLU A 15 13.901 12.127 -2.392 1.00 0.00 H new ATOM 0 HB3 GLU A 15 13.116 11.155 -3.620 1.00 0.00 H new ATOM 0 HG2 GLU A 15 11.508 12.992 -4.048 1.00 0.00 H new ATOM 0 HG3 GLU A 15 12.292 13.965 -2.819 1.00 0.00 H new ATOM 212 N THR A 16 10.652 9.986 -3.278 1.00 0.00 N ATOM 213 CA THR A 16 9.445 9.549 -3.969 1.00 0.00 C ATOM 214 C THR A 16 8.364 9.242 -2.930 1.00 0.00 C ATOM 215 O THR A 16 7.206 9.609 -3.096 1.00 0.00 O ATOM 216 CB THR A 16 9.721 8.287 -4.814 1.00 0.00 C ATOM 217 OG1 THR A 16 10.850 8.527 -5.669 1.00 0.00 O ATOM 218 CG2 THR A 16 8.514 7.941 -5.682 1.00 0.00 C ATOM 0 H THR A 16 11.468 9.397 -3.441 1.00 0.00 H new ATOM 0 HA THR A 16 9.113 10.343 -4.638 1.00 0.00 H new ATOM 0 HB THR A 16 9.922 7.456 -4.138 1.00 0.00 H new ATOM 0 HG1 THR A 16 11.621 8.017 -5.344 1.00 0.00 H new ATOM 0 HG21 THR A 16 8.732 7.048 -6.269 1.00 0.00 H new ATOM 0 HG22 THR A 16 7.649 7.755 -5.045 1.00 0.00 H new ATOM 0 HG23 THR A 16 8.298 8.772 -6.353 1.00 0.00 H new ATOM 226 N TRP A 17 8.786 8.602 -1.849 1.00 0.00 N ATOM 227 CA TRP A 17 7.927 8.295 -0.727 1.00 0.00 C ATOM 228 C TRP A 17 7.277 9.569 -0.173 1.00 0.00 C ATOM 229 O TRP A 17 6.054 9.654 -0.063 1.00 0.00 O ATOM 230 CB TRP A 17 8.755 7.569 0.351 1.00 0.00 C ATOM 231 CG TRP A 17 8.069 7.386 1.669 1.00 0.00 C ATOM 232 CD1 TRP A 17 8.472 7.898 2.869 1.00 0.00 C ATOM 233 CD2 TRP A 17 6.858 6.675 1.925 1.00 0.00 C ATOM 234 NE1 TRP A 17 7.604 7.525 3.854 1.00 0.00 N ATOM 235 CE2 TRP A 17 6.600 6.783 3.304 1.00 0.00 C ATOM 236 CE3 TRP A 17 5.967 5.959 1.127 1.00 0.00 C ATOM 237 CZ2 TRP A 17 5.493 6.197 3.898 1.00 0.00 C ATOM 238 CZ3 TRP A 17 4.871 5.383 1.723 1.00 0.00 C ATOM 239 CH2 TRP A 17 4.645 5.507 3.097 1.00 0.00 C ATOM 0 H TRP A 17 9.746 8.280 -1.730 1.00 0.00 H new ATOM 0 HA TRP A 17 7.118 7.641 -1.053 1.00 0.00 H new ATOM 0 HB2 TRP A 17 9.039 6.589 -0.031 1.00 0.00 H new ATOM 0 HB3 TRP A 17 9.677 8.127 0.514 1.00 0.00 H new ATOM 0 HD1 TRP A 17 9.350 8.509 3.017 1.00 0.00 H new ATOM 0 HE1 TRP A 17 7.692 7.763 4.842 1.00 0.00 H new ATOM 0 HE3 TRP A 17 6.134 5.859 0.065 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 5.313 6.287 4.959 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 4.171 4.824 1.119 1.00 0.00 H new ATOM 0 HH2 TRP A 17 3.773 5.041 3.531 1.00 0.00 H new ATOM 250 N ASN A 18 8.102 10.554 0.133 1.00 0.00 N ATOM 251 CA ASN A 18 7.633 11.819 0.682 1.00 0.00 C ATOM 252 C ASN A 18 6.710 12.523 -0.301 1.00 0.00 C ATOM 253 O ASN A 18 5.613 12.963 0.066 1.00 0.00 O ATOM 254 CB ASN A 18 8.816 12.742 0.998 1.00 0.00 C ATOM 255 CG ASN A 18 8.390 14.003 1.731 1.00 0.00 C ATOM 256 OD1 ASN A 18 8.036 15.018 1.126 1.00 0.00 O ATOM 257 ND2 ASN A 18 8.441 13.953 3.028 1.00 0.00 N ATOM 0 H ASN A 18 9.113 10.503 0.009 1.00 0.00 H new ATOM 0 HA ASN A 18 7.087 11.599 1.599 1.00 0.00 H new ATOM 0 HB2 ASN A 18 9.543 12.201 1.604 1.00 0.00 H new ATOM 0 HB3 ASN A 18 9.317 13.017 0.070 1.00 0.00 H new ATOM 0 HD21 ASN A 18 8.183 14.771 3.580 1.00 0.00 H new ATOM 0 HD22 ASN A 18 8.739 13.096 3.494 1.00 0.00 H new ATOM 264 N GLU A 19 7.160 12.602 -1.552 1.00 0.00 N ATOM 265 CA GLU A 19 6.446 13.288 -2.618 1.00 0.00 C ATOM 266 C GLU A 19 5.039 12.726 -2.786 1.00 0.00 C ATOM 267 O GLU A 19 4.061 13.482 -2.799 1.00 0.00 O ATOM 268 CB GLU A 19 7.218 13.142 -3.934 1.00 0.00 C ATOM 269 CG GLU A 19 6.610 13.893 -5.106 1.00 0.00 C ATOM 270 CD GLU A 19 7.341 13.641 -6.398 1.00 0.00 C ATOM 271 OE1 GLU A 19 8.432 14.211 -6.602 1.00 0.00 O ATOM 272 OE2 GLU A 19 6.833 12.876 -7.242 1.00 0.00 O ATOM 0 H GLU A 19 8.041 12.186 -1.853 1.00 0.00 H new ATOM 0 HA GLU A 19 6.366 14.342 -2.352 1.00 0.00 H new ATOM 0 HB2 GLU A 19 8.239 13.494 -3.783 1.00 0.00 H new ATOM 0 HB3 GLU A 19 7.280 12.084 -4.189 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.567 13.598 -5.220 1.00 0.00 H new ATOM 0 HG3 GLU A 19 6.618 14.962 -4.891 1.00 0.00 H new ATOM 279 N GLN A 20 4.942 11.407 -2.855 1.00 0.00 N ATOM 280 CA GLN A 20 3.709 10.730 -3.061 1.00 0.00 C ATOM 281 C GLN A 20 2.740 10.883 -1.911 1.00 0.00 C ATOM 282 O GLN A 20 1.548 10.918 -2.123 1.00 0.00 O ATOM 283 CB GLN A 20 3.966 9.293 -3.371 1.00 0.00 C ATOM 284 CG GLN A 20 4.553 9.040 -4.765 1.00 0.00 C ATOM 285 CD GLN A 20 3.586 9.340 -5.924 1.00 0.00 C ATOM 286 OE1 GLN A 20 2.689 10.181 -5.834 1.00 0.00 O ATOM 287 NE2 GLN A 20 3.780 8.663 -7.028 1.00 0.00 N ATOM 0 H GLN A 20 5.743 10.782 -2.766 1.00 0.00 H new ATOM 0 HA GLN A 20 3.222 11.201 -3.915 1.00 0.00 H new ATOM 0 HB2 GLN A 20 4.649 8.889 -2.624 1.00 0.00 H new ATOM 0 HB3 GLN A 20 3.031 8.741 -3.279 1.00 0.00 H new ATOM 0 HG2 GLN A 20 5.447 9.651 -4.886 1.00 0.00 H new ATOM 0 HG3 GLN A 20 4.868 7.998 -4.830 1.00 0.00 H new ATOM 0 HE21 GLN A 20 4.529 7.972 -7.078 1.00 0.00 H new ATOM 0 HE22 GLN A 20 3.182 8.826 -7.838 1.00 0.00 H new ATOM 296 N LEU A 21 3.242 10.973 -0.701 1.00 0.00 N ATOM 297 CA LEU A 21 2.417 11.180 0.433 1.00 0.00 C ATOM 298 C LEU A 21 1.770 12.548 0.402 1.00 0.00 C ATOM 299 O LEU A 21 0.562 12.677 0.613 1.00 0.00 O ATOM 300 CB LEU A 21 3.225 11.022 1.676 1.00 0.00 C ATOM 301 CG LEU A 21 3.766 9.636 2.000 1.00 0.00 C ATOM 302 CD1 LEU A 21 4.553 9.681 3.296 1.00 0.00 C ATOM 303 CD2 LEU A 21 2.637 8.614 2.093 1.00 0.00 C ATOM 0 H LEU A 21 4.238 10.903 -0.491 1.00 0.00 H new ATOM 0 HA LEU A 21 1.621 10.435 0.418 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.072 11.706 1.614 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.613 11.348 2.517 1.00 0.00 H new ATOM 0 HG LEU A 21 4.429 9.326 1.192 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.938 8.687 3.523 1.00 0.00 H new ATOM 0 HD12 LEU A 21 5.385 10.377 3.192 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.902 10.012 4.106 1.00 0.00 H new ATOM 0 HD21 LEU A 21 3.052 7.633 2.325 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.943 8.910 2.879 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.109 8.568 1.141 1.00 0.00 H new ATOM 315 N GLN A 22 2.569 13.566 0.118 1.00 0.00 N ATOM 316 CA GLN A 22 2.066 14.933 0.043 1.00 0.00 C ATOM 317 C GLN A 22 1.040 15.012 -1.089 1.00 0.00 C ATOM 318 O GLN A 22 0.017 15.703 -0.994 1.00 0.00 O ATOM 319 CB GLN A 22 3.215 15.920 -0.241 1.00 0.00 C ATOM 320 CG GLN A 22 4.431 15.763 0.670 1.00 0.00 C ATOM 321 CD GLN A 22 4.119 15.866 2.147 1.00 0.00 C ATOM 322 OE1 GLN A 22 3.205 16.568 2.564 1.00 0.00 O ATOM 323 NE2 GLN A 22 4.864 15.147 2.941 1.00 0.00 N ATOM 0 H GLN A 22 3.568 13.473 -0.065 1.00 0.00 H new ATOM 0 HA GLN A 22 1.608 15.200 0.995 1.00 0.00 H new ATOM 0 HB2 GLN A 22 3.535 15.796 -1.276 1.00 0.00 H new ATOM 0 HB3 GLN A 22 2.835 16.937 -0.144 1.00 0.00 H new ATOM 0 HG2 GLN A 22 4.894 14.796 0.475 1.00 0.00 H new ATOM 0 HG3 GLN A 22 5.165 16.526 0.411 1.00 0.00 H new ATOM 0 HE21 GLN A 22 5.616 14.575 2.556 1.00 0.00 H new ATOM 0 HE22 GLN A 22 4.695 15.157 3.947 1.00 0.00 H new ATOM 332 N LYS A 23 1.333 14.269 -2.133 1.00 0.00 N ATOM 333 CA LYS A 23 0.517 14.142 -3.320 1.00 0.00 C ATOM 334 C LYS A 23 -0.803 13.419 -2.996 1.00 0.00 C ATOM 335 O LYS A 23 -1.872 13.862 -3.412 1.00 0.00 O ATOM 336 CB LYS A 23 1.385 13.416 -4.388 1.00 0.00 C ATOM 337 CG LYS A 23 0.788 13.070 -5.755 1.00 0.00 C ATOM 338 CD LYS A 23 -0.165 11.888 -5.708 1.00 0.00 C ATOM 339 CE LYS A 23 -0.480 11.397 -7.105 1.00 0.00 C ATOM 340 NZ LYS A 23 0.762 10.986 -7.821 1.00 0.00 N ATOM 0 H LYS A 23 2.186 13.711 -2.180 1.00 0.00 H new ATOM 0 HA LYS A 23 0.214 15.112 -3.714 1.00 0.00 H new ATOM 0 HB2 LYS A 23 2.264 14.035 -4.566 1.00 0.00 H new ATOM 0 HB3 LYS A 23 1.735 12.485 -3.942 1.00 0.00 H new ATOM 0 HG2 LYS A 23 0.259 13.940 -6.144 1.00 0.00 H new ATOM 0 HG3 LYS A 23 1.596 12.850 -6.452 1.00 0.00 H new ATOM 0 HD2 LYS A 23 0.278 11.081 -5.125 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -1.086 12.178 -5.203 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -1.169 10.554 -7.051 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -0.984 12.184 -7.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 0.548 10.195 -8.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 1.127 11.789 -8.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 1.479 10.687 -7.129 1.00 0.00 H new ATOM 354 N ALA A 24 -0.723 12.327 -2.234 1.00 0.00 N ATOM 355 CA ALA A 24 -1.907 11.561 -1.859 1.00 0.00 C ATOM 356 C ALA A 24 -2.816 12.386 -0.972 1.00 0.00 C ATOM 357 O ALA A 24 -4.039 12.336 -1.104 1.00 0.00 O ATOM 358 CB ALA A 24 -1.513 10.273 -1.154 1.00 0.00 C ATOM 0 H ALA A 24 0.152 11.955 -1.865 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.448 11.305 -2.770 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -2.411 9.717 -0.883 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -0.898 9.667 -1.820 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.947 10.510 -0.253 1.00 0.00 H new ATOM 364 N ASN A 25 -2.202 13.152 -0.080 1.00 0.00 N ATOM 365 CA ASN A 25 -2.931 14.033 0.834 1.00 0.00 C ATOM 366 C ASN A 25 -3.648 15.091 0.042 1.00 0.00 C ATOM 367 O ASN A 25 -4.844 15.313 0.203 1.00 0.00 O ATOM 368 CB ASN A 25 -1.959 14.743 1.759 1.00 0.00 C ATOM 369 CG ASN A 25 -2.665 15.526 2.868 1.00 0.00 C ATOM 370 OD1 ASN A 25 -3.016 16.698 2.696 1.00 0.00 O ATOM 371 ND2 ASN A 25 -2.858 14.901 4.006 1.00 0.00 N ATOM 0 H ASN A 25 -1.189 13.183 0.033 1.00 0.00 H new ATOM 0 HA ASN A 25 -3.633 13.429 1.409 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -1.289 14.010 2.208 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -1.340 15.425 1.175 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -3.310 15.383 4.782 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -2.556 13.933 4.114 1.00 0.00 H new ATOM 378 N GLU A 26 -2.893 15.740 -0.815 1.00 0.00 N ATOM 379 CA GLU A 26 -3.402 16.818 -1.668 1.00 0.00 C ATOM 380 C GLU A 26 -4.515 16.341 -2.584 1.00 0.00 C ATOM 381 O GLU A 26 -5.546 16.999 -2.728 1.00 0.00 O ATOM 382 CB GLU A 26 -2.276 17.387 -2.512 1.00 0.00 C ATOM 383 CG GLU A 26 -2.711 18.492 -3.450 1.00 0.00 C ATOM 384 CD GLU A 26 -1.576 19.036 -4.239 1.00 0.00 C ATOM 385 OE1 GLU A 26 -0.846 19.886 -3.714 1.00 0.00 O ATOM 386 OE2 GLU A 26 -1.384 18.622 -5.397 1.00 0.00 O ATOM 0 H GLU A 26 -1.901 15.542 -0.949 1.00 0.00 H new ATOM 0 HA GLU A 26 -3.808 17.587 -1.010 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -1.498 17.770 -1.852 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.831 16.582 -3.096 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -3.474 18.111 -4.129 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -3.170 19.296 -2.874 1.00 0.00 H new ATOM 393 N SER A 27 -4.323 15.195 -3.180 1.00 0.00 N ATOM 394 CA SER A 27 -5.289 14.668 -4.095 1.00 0.00 C ATOM 395 C SER A 27 -6.448 14.014 -3.351 1.00 0.00 C ATOM 396 O SER A 27 -7.459 13.659 -3.956 1.00 0.00 O ATOM 397 CB SER A 27 -4.614 13.685 -5.032 1.00 0.00 C ATOM 398 OG SER A 27 -3.547 14.314 -5.736 1.00 0.00 O ATOM 0 H SER A 27 -3.500 14.608 -3.045 1.00 0.00 H new ATOM 0 HA SER A 27 -5.704 15.486 -4.683 1.00 0.00 H new ATOM 0 HB2 SER A 27 -4.232 12.837 -4.464 1.00 0.00 H new ATOM 0 HB3 SER A 27 -5.342 13.292 -5.741 1.00 0.00 H new ATOM 0 HG SER A 27 -2.746 14.329 -5.171 1.00 0.00 H new ATOM 404 N LYS A 28 -6.284 13.867 -2.023 1.00 0.00 N ATOM 405 CA LYS A 28 -7.287 13.283 -1.131 1.00 0.00 C ATOM 406 C LYS A 28 -7.707 11.916 -1.613 1.00 0.00 C ATOM 407 O LYS A 28 -8.856 11.499 -1.475 1.00 0.00 O ATOM 408 CB LYS A 28 -8.463 14.214 -0.990 1.00 0.00 C ATOM 409 CG LYS A 28 -8.070 15.569 -0.423 1.00 0.00 C ATOM 410 CD LYS A 28 -9.256 16.486 -0.245 1.00 0.00 C ATOM 411 CE LYS A 28 -9.989 16.715 -1.546 1.00 0.00 C ATOM 412 NZ LYS A 28 -11.098 17.672 -1.381 1.00 0.00 N ATOM 0 H LYS A 28 -5.435 14.157 -1.538 1.00 0.00 H new ATOM 0 HA LYS A 28 -6.845 13.152 -0.143 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -8.930 14.354 -1.965 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -9.209 13.755 -0.341 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.576 15.428 0.538 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.346 16.041 -1.087 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -9.940 16.057 0.487 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -8.919 17.442 0.156 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -9.292 17.090 -2.296 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -10.378 15.767 -1.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -11.580 17.806 -2.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -11.775 17.302 -0.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -10.723 18.584 -1.050 1.00 0.00 H new ATOM 426 N THR A 29 -6.756 11.216 -2.142 1.00 0.00 N ATOM 427 CA THR A 29 -6.968 9.912 -2.638 1.00 0.00 C ATOM 428 C THR A 29 -6.742 8.944 -1.495 1.00 0.00 C ATOM 429 O THR A 29 -5.901 9.191 -0.613 1.00 0.00 O ATOM 430 CB THR A 29 -5.972 9.606 -3.748 1.00 0.00 C ATOM 431 OG1 THR A 29 -5.901 10.738 -4.638 1.00 0.00 O ATOM 432 CG2 THR A 29 -6.418 8.391 -4.551 1.00 0.00 C ATOM 0 H THR A 29 -5.797 11.548 -2.239 1.00 0.00 H new ATOM 0 HA THR A 29 -7.978 9.823 -3.037 1.00 0.00 H new ATOM 0 HB THR A 29 -5.000 9.402 -3.298 1.00 0.00 H new ATOM 0 HG1 THR A 29 -5.260 10.550 -5.355 1.00 0.00 H new ATOM 0 HG21 THR A 29 -5.692 8.189 -5.339 1.00 0.00 H new ATOM 0 HG22 THR A 29 -6.488 7.525 -3.892 1.00 0.00 H new ATOM 0 HG23 THR A 29 -7.393 8.588 -4.997 1.00 0.00 H new ATOM 440 N LEU A 30 -7.498 7.900 -1.468 1.00 0.00 N ATOM 441 CA LEU A 30 -7.334 6.891 -0.456 1.00 0.00 C ATOM 442 C LEU A 30 -6.031 6.170 -0.806 1.00 0.00 C ATOM 443 O LEU A 30 -5.862 5.730 -1.929 1.00 0.00 O ATOM 444 CB LEU A 30 -8.582 5.950 -0.451 1.00 0.00 C ATOM 445 CG LEU A 30 -8.710 4.856 0.653 1.00 0.00 C ATOM 446 CD1 LEU A 30 -10.096 4.236 0.596 1.00 0.00 C ATOM 447 CD2 LEU A 30 -7.679 3.749 0.487 1.00 0.00 C ATOM 0 H LEU A 30 -8.245 7.714 -2.138 1.00 0.00 H new ATOM 0 HA LEU A 30 -7.268 7.295 0.554 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -9.468 6.582 -0.390 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -8.616 5.446 -1.417 1.00 0.00 H new ATOM 0 HG LEU A 30 -8.539 5.343 1.613 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -10.185 3.472 1.368 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -10.847 5.008 0.762 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -10.252 3.783 -0.383 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -7.807 3.011 1.278 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -7.813 3.269 -0.482 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -6.677 4.173 0.546 1.00 0.00 H new ATOM 459 N VAL A 31 -5.124 6.080 0.121 1.00 0.00 N ATOM 460 CA VAL A 31 -3.811 5.568 -0.189 1.00 0.00 C ATOM 461 C VAL A 31 -3.474 4.340 0.641 1.00 0.00 C ATOM 462 O VAL A 31 -3.788 4.269 1.833 1.00 0.00 O ATOM 463 CB VAL A 31 -2.720 6.687 -0.034 1.00 0.00 C ATOM 464 CG1 VAL A 31 -2.674 7.248 1.380 1.00 0.00 C ATOM 465 CG2 VAL A 31 -1.347 6.201 -0.467 1.00 0.00 C ATOM 0 H VAL A 31 -5.262 6.351 1.095 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.819 5.253 -1.232 1.00 0.00 H new ATOM 0 HB VAL A 31 -3.012 7.498 -0.701 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.905 8.019 1.441 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -3.642 7.681 1.631 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.441 6.447 2.082 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.621 7.005 -0.344 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.052 5.349 0.146 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.381 5.900 -1.514 1.00 0.00 H new ATOM 475 N VAL A 32 -2.866 3.378 0.010 1.00 0.00 N ATOM 476 CA VAL A 32 -2.465 2.181 0.671 1.00 0.00 C ATOM 477 C VAL A 32 -0.962 2.008 0.528 1.00 0.00 C ATOM 478 O VAL A 32 -0.400 2.181 -0.568 1.00 0.00 O ATOM 479 CB VAL A 32 -3.217 0.928 0.123 1.00 0.00 C ATOM 480 CG1 VAL A 32 -2.891 0.655 -1.313 1.00 0.00 C ATOM 481 CG2 VAL A 32 -3.005 -0.299 0.995 1.00 0.00 C ATOM 0 H VAL A 32 -2.635 3.407 -0.983 1.00 0.00 H new ATOM 0 HA VAL A 32 -2.727 2.270 1.725 1.00 0.00 H new ATOM 0 HB VAL A 32 -4.280 1.164 0.166 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -3.438 -0.226 -1.649 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -3.177 1.514 -1.921 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -1.820 0.478 -1.416 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -3.548 -1.144 0.572 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -1.942 -0.536 1.038 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -3.373 -0.098 2.001 1.00 0.00 H new ATOM 491 N VAL A 33 -0.316 1.725 1.608 1.00 0.00 N ATOM 492 CA VAL A 33 1.096 1.537 1.598 1.00 0.00 C ATOM 493 C VAL A 33 1.414 0.091 1.886 1.00 0.00 C ATOM 494 O VAL A 33 1.102 -0.427 2.962 1.00 0.00 O ATOM 495 CB VAL A 33 1.809 2.440 2.627 1.00 0.00 C ATOM 496 CG1 VAL A 33 3.316 2.264 2.526 1.00 0.00 C ATOM 497 CG2 VAL A 33 1.416 3.899 2.425 1.00 0.00 C ATOM 0 H VAL A 33 -0.752 1.617 2.524 1.00 0.00 H new ATOM 0 HA VAL A 33 1.460 1.814 0.609 1.00 0.00 H new ATOM 0 HB VAL A 33 1.495 2.144 3.628 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.807 2.906 3.257 1.00 0.00 H new ATOM 0 HG12 VAL A 33 3.575 1.224 2.725 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.648 2.535 1.524 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.929 4.519 3.160 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.699 4.216 1.421 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.338 4.006 2.549 1.00 0.00 H new ATOM 507 N ASP A 34 1.990 -0.542 0.926 1.00 0.00 N ATOM 508 CA ASP A 34 2.408 -1.913 1.020 1.00 0.00 C ATOM 509 C ASP A 34 3.895 -1.953 1.321 1.00 0.00 C ATOM 510 O ASP A 34 4.720 -1.518 0.499 1.00 0.00 O ATOM 511 CB ASP A 34 2.110 -2.601 -0.315 1.00 0.00 C ATOM 512 CG ASP A 34 2.596 -4.028 -0.425 1.00 0.00 C ATOM 513 OD1 ASP A 34 3.788 -4.238 -0.710 1.00 0.00 O ATOM 514 OD2 ASP A 34 1.786 -4.948 -0.331 1.00 0.00 O ATOM 0 H ASP A 34 2.194 -0.115 0.022 1.00 0.00 H new ATOM 0 HA ASP A 34 1.875 -2.430 1.818 1.00 0.00 H new ATOM 0 HB2 ASP A 34 1.033 -2.587 -0.480 1.00 0.00 H new ATOM 0 HB3 ASP A 34 2.563 -2.017 -1.116 1.00 0.00 H new ATOM 519 N PHE A 35 4.239 -2.395 2.505 1.00 0.00 N ATOM 520 CA PHE A 35 5.608 -2.531 2.879 1.00 0.00 C ATOM 521 C PHE A 35 6.050 -3.935 2.530 1.00 0.00 C ATOM 522 O PHE A 35 5.550 -4.909 3.103 1.00 0.00 O ATOM 523 CB PHE A 35 5.760 -2.293 4.375 1.00 0.00 C ATOM 524 CG PHE A 35 5.352 -0.918 4.840 1.00 0.00 C ATOM 525 CD1 PHE A 35 6.237 0.143 4.769 1.00 0.00 C ATOM 526 CD2 PHE A 35 4.086 -0.693 5.366 1.00 0.00 C ATOM 527 CE1 PHE A 35 5.866 1.399 5.209 1.00 0.00 C ATOM 528 CE2 PHE A 35 3.714 0.558 5.802 1.00 0.00 C ATOM 529 CZ PHE A 35 4.605 1.604 5.727 1.00 0.00 C ATOM 0 H PHE A 35 3.574 -2.668 3.228 1.00 0.00 H new ATOM 0 HA PHE A 35 6.221 -1.801 2.351 1.00 0.00 H new ATOM 0 HB2 PHE A 35 5.165 -3.034 4.909 1.00 0.00 H new ATOM 0 HB3 PHE A 35 6.801 -2.461 4.652 1.00 0.00 H new ATOM 0 HD1 PHE A 35 7.227 -0.012 4.366 1.00 0.00 H new ATOM 0 HD2 PHE A 35 3.384 -1.511 5.434 1.00 0.00 H new ATOM 0 HE1 PHE A 35 6.564 2.221 5.147 1.00 0.00 H new ATOM 0 HE2 PHE A 35 2.724 0.719 6.203 1.00 0.00 H new ATOM 0 HZ PHE A 35 4.316 2.585 6.074 1.00 0.00 H new ATOM 539 N THR A 36 7.001 -4.043 1.644 1.00 0.00 N ATOM 540 CA THR A 36 7.390 -5.328 1.121 1.00 0.00 C ATOM 541 C THR A 36 8.894 -5.356 0.836 1.00 0.00 C ATOM 542 O THR A 36 9.596 -4.392 1.095 1.00 0.00 O ATOM 543 CB THR A 36 6.595 -5.592 -0.208 1.00 0.00 C ATOM 544 OG1 THR A 36 6.890 -6.887 -0.750 1.00 0.00 O ATOM 545 CG2 THR A 36 6.920 -4.528 -1.260 1.00 0.00 C ATOM 0 H THR A 36 7.525 -3.254 1.266 1.00 0.00 H new ATOM 0 HA THR A 36 7.164 -6.102 1.855 1.00 0.00 H new ATOM 0 HB THR A 36 5.535 -5.546 0.043 1.00 0.00 H new ATOM 0 HG1 THR A 36 6.378 -7.021 -1.575 1.00 0.00 H new ATOM 0 HG21 THR A 36 6.357 -4.733 -2.171 1.00 0.00 H new ATOM 0 HG22 THR A 36 6.647 -3.544 -0.879 1.00 0.00 H new ATOM 0 HG23 THR A 36 7.987 -4.549 -1.481 1.00 0.00 H new ATOM 553 N ALA A 37 9.380 -6.495 0.408 1.00 0.00 N ATOM 554 CA ALA A 37 10.724 -6.658 -0.100 1.00 0.00 C ATOM 555 C ALA A 37 10.639 -7.555 -1.306 1.00 0.00 C ATOM 556 O ALA A 37 9.802 -8.466 -1.328 1.00 0.00 O ATOM 557 CB ALA A 37 11.657 -7.248 0.934 1.00 0.00 C ATOM 0 H ALA A 37 8.838 -7.359 0.402 1.00 0.00 H new ATOM 0 HA ALA A 37 11.136 -5.683 -0.361 1.00 0.00 H new ATOM 0 HB1 ALA A 37 12.654 -7.352 0.507 1.00 0.00 H new ATOM 0 HB2 ALA A 37 11.701 -6.590 1.802 1.00 0.00 H new ATOM 0 HB3 ALA A 37 11.289 -8.228 1.239 1.00 0.00 H new ATOM 563 N SER A 38 11.484 -7.347 -2.281 1.00 0.00 N ATOM 564 CA SER A 38 11.458 -8.161 -3.487 1.00 0.00 C ATOM 565 C SER A 38 11.931 -9.608 -3.192 1.00 0.00 C ATOM 566 O SER A 38 11.660 -10.529 -3.957 1.00 0.00 O ATOM 567 CB SER A 38 12.301 -7.510 -4.602 1.00 0.00 C ATOM 568 OG SER A 38 12.209 -8.237 -5.827 1.00 0.00 O ATOM 0 H SER A 38 12.202 -6.623 -2.272 1.00 0.00 H new ATOM 0 HA SER A 38 10.428 -8.218 -3.838 1.00 0.00 H new ATOM 0 HB2 SER A 38 11.965 -6.485 -4.761 1.00 0.00 H new ATOM 0 HB3 SER A 38 13.343 -7.458 -4.287 1.00 0.00 H new ATOM 0 HG SER A 38 12.754 -7.795 -6.511 1.00 0.00 H new ATOM 574 N TRP A 39 12.618 -9.792 -2.068 1.00 0.00 N ATOM 575 CA TRP A 39 13.099 -11.113 -1.658 1.00 0.00 C ATOM 576 C TRP A 39 12.180 -11.771 -0.626 1.00 0.00 C ATOM 577 O TRP A 39 12.470 -12.849 -0.113 1.00 0.00 O ATOM 578 CB TRP A 39 14.555 -11.036 -1.143 1.00 0.00 C ATOM 579 CG TRP A 39 14.825 -9.963 -0.121 1.00 0.00 C ATOM 580 CD1 TRP A 39 15.492 -8.809 -0.348 1.00 0.00 C ATOM 581 CD2 TRP A 39 14.444 -9.935 1.273 1.00 0.00 C ATOM 582 NE1 TRP A 39 15.564 -8.067 0.795 1.00 0.00 N ATOM 583 CE2 TRP A 39 14.928 -8.726 1.803 1.00 0.00 C ATOM 584 CE3 TRP A 39 13.747 -10.804 2.119 1.00 0.00 C ATOM 585 CZ2 TRP A 39 14.742 -8.364 3.133 1.00 0.00 C ATOM 586 CZ3 TRP A 39 13.561 -10.441 3.438 1.00 0.00 C ATOM 587 CH2 TRP A 39 14.054 -9.230 3.932 1.00 0.00 C ATOM 0 H TRP A 39 12.856 -9.041 -1.421 1.00 0.00 H new ATOM 0 HA TRP A 39 13.084 -11.748 -2.543 1.00 0.00 H new ATOM 0 HB2 TRP A 39 14.820 -12.001 -0.710 1.00 0.00 H new ATOM 0 HB3 TRP A 39 15.216 -10.876 -1.995 1.00 0.00 H new ATOM 0 HD1 TRP A 39 15.909 -8.516 -1.300 1.00 0.00 H new ATOM 0 HE1 TRP A 39 16.023 -7.160 0.881 1.00 0.00 H new ATOM 0 HE3 TRP A 39 13.361 -11.742 1.747 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 15.128 -7.432 3.519 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 13.025 -11.105 4.100 1.00 0.00 H new ATOM 0 HH2 TRP A 39 13.887 -8.974 4.968 1.00 0.00 H new ATOM 598 N CYS A 40 11.072 -11.135 -0.346 1.00 0.00 N ATOM 599 CA CYS A 40 10.139 -11.631 0.648 1.00 0.00 C ATOM 600 C CYS A 40 9.089 -12.531 0.005 1.00 0.00 C ATOM 601 O CYS A 40 8.379 -12.110 -0.914 1.00 0.00 O ATOM 602 CB CYS A 40 9.492 -10.455 1.382 1.00 0.00 C ATOM 603 SG CYS A 40 8.177 -10.898 2.556 1.00 0.00 S ATOM 0 H CYS A 40 10.787 -10.264 -0.794 1.00 0.00 H new ATOM 0 HA CYS A 40 10.682 -12.235 1.375 1.00 0.00 H new ATOM 0 HB2 CYS A 40 10.269 -9.913 1.921 1.00 0.00 H new ATOM 0 HB3 CYS A 40 9.079 -9.769 0.642 1.00 0.00 H new ATOM 608 N GLY A 41 8.994 -13.760 0.508 1.00 0.00 N ATOM 609 CA GLY A 41 8.086 -14.771 -0.029 1.00 0.00 C ATOM 610 C GLY A 41 6.617 -14.396 0.038 1.00 0.00 C ATOM 611 O GLY A 41 5.986 -14.215 -1.006 1.00 0.00 O ATOM 0 H GLY A 41 9.546 -14.084 1.302 1.00 0.00 H new ATOM 0 HA2 GLY A 41 8.352 -14.965 -1.068 1.00 0.00 H new ATOM 0 HA3 GLY A 41 8.236 -15.702 0.517 1.00 0.00 H new ATOM 615 N PRO A 42 6.032 -14.255 1.257 1.00 0.00 N ATOM 616 CA PRO A 42 4.612 -13.910 1.416 1.00 0.00 C ATOM 617 C PRO A 42 4.295 -12.577 0.752 1.00 0.00 C ATOM 618 O PRO A 42 3.196 -12.353 0.251 1.00 0.00 O ATOM 619 CB PRO A 42 4.420 -13.817 2.942 1.00 0.00 C ATOM 620 CG PRO A 42 5.795 -13.695 3.502 1.00 0.00 C ATOM 621 CD PRO A 42 6.696 -14.433 2.559 1.00 0.00 C ATOM 0 HA PRO A 42 3.951 -14.641 0.951 1.00 0.00 H new ATOM 0 HB2 PRO A 42 3.808 -12.956 3.210 1.00 0.00 H new ATOM 0 HB3 PRO A 42 3.914 -14.701 3.330 1.00 0.00 H new ATOM 0 HG2 PRO A 42 6.090 -12.649 3.585 1.00 0.00 H new ATOM 0 HG3 PRO A 42 5.847 -14.121 4.504 1.00 0.00 H new ATOM 0 HD2 PRO A 42 7.704 -14.019 2.557 1.00 0.00 H new ATOM 0 HD3 PRO A 42 6.784 -15.486 2.826 1.00 0.00 H new ATOM 629 N CYS A 43 5.282 -11.716 0.731 1.00 0.00 N ATOM 630 CA CYS A 43 5.168 -10.413 0.130 1.00 0.00 C ATOM 631 C CYS A 43 5.040 -10.536 -1.395 1.00 0.00 C ATOM 632 O CYS A 43 4.300 -9.786 -2.030 1.00 0.00 O ATOM 633 CB CYS A 43 6.402 -9.601 0.463 1.00 0.00 C ATOM 634 SG CYS A 43 6.775 -9.469 2.242 1.00 0.00 S ATOM 0 H CYS A 43 6.199 -11.904 1.137 1.00 0.00 H new ATOM 0 HA CYS A 43 4.278 -9.920 0.521 1.00 0.00 H new ATOM 0 HB2 CYS A 43 7.260 -10.046 -0.041 1.00 0.00 H new ATOM 0 HB3 CYS A 43 6.279 -8.597 0.057 1.00 0.00 H new ATOM 639 N ARG A 44 5.758 -11.473 -1.981 1.00 0.00 N ATOM 640 CA ARG A 44 5.692 -11.668 -3.415 1.00 0.00 C ATOM 641 C ARG A 44 4.415 -12.436 -3.760 1.00 0.00 C ATOM 642 O ARG A 44 3.787 -12.193 -4.782 1.00 0.00 O ATOM 643 CB ARG A 44 6.936 -12.409 -3.925 1.00 0.00 C ATOM 644 CG ARG A 44 7.045 -12.445 -5.440 1.00 0.00 C ATOM 645 CD ARG A 44 8.290 -13.182 -5.903 1.00 0.00 C ATOM 646 NE ARG A 44 8.460 -13.091 -7.360 1.00 0.00 N ATOM 647 CZ ARG A 44 9.262 -13.871 -8.107 1.00 0.00 C ATOM 648 NH1 ARG A 44 9.943 -14.878 -7.554 1.00 0.00 N ATOM 649 NH2 ARG A 44 9.371 -13.641 -9.408 1.00 0.00 N ATOM 0 H ARG A 44 6.389 -12.107 -1.491 1.00 0.00 H new ATOM 0 HA ARG A 44 5.668 -10.697 -3.909 1.00 0.00 H new ATOM 0 HB2 ARG A 44 7.826 -11.931 -3.516 1.00 0.00 H new ATOM 0 HB3 ARG A 44 6.921 -13.431 -3.546 1.00 0.00 H new ATOM 0 HG2 ARG A 44 6.161 -12.929 -5.856 1.00 0.00 H new ATOM 0 HG3 ARG A 44 7.062 -11.426 -5.827 1.00 0.00 H new ATOM 0 HD2 ARG A 44 9.166 -12.765 -5.407 1.00 0.00 H new ATOM 0 HD3 ARG A 44 8.225 -14.229 -5.608 1.00 0.00 H new ATOM 0 HE ARG A 44 7.923 -12.374 -7.847 1.00 0.00 H new ATOM 0 HH11 ARG A 44 9.858 -15.063 -6.554 1.00 0.00 H new ATOM 0 HH12 ARG A 44 10.548 -15.462 -8.131 1.00 0.00 H new ATOM 0 HH21 ARG A 44 8.849 -12.877 -9.836 1.00 0.00 H new ATOM 0 HH22 ARG A 44 9.977 -14.228 -9.981 1.00 0.00 H new ATOM 663 N PHE A 45 4.023 -13.326 -2.866 1.00 0.00 N ATOM 664 CA PHE A 45 2.822 -14.137 -3.029 1.00 0.00 C ATOM 665 C PHE A 45 1.548 -13.283 -2.982 1.00 0.00 C ATOM 666 O PHE A 45 0.532 -13.634 -3.578 1.00 0.00 O ATOM 667 CB PHE A 45 2.778 -15.233 -1.946 1.00 0.00 C ATOM 668 CG PHE A 45 1.588 -16.158 -2.036 1.00 0.00 C ATOM 669 CD1 PHE A 45 1.535 -17.144 -3.004 1.00 0.00 C ATOM 670 CD2 PHE A 45 0.532 -16.043 -1.142 1.00 0.00 C ATOM 671 CE1 PHE A 45 0.453 -17.997 -3.085 1.00 0.00 C ATOM 672 CE2 PHE A 45 -0.555 -16.894 -1.219 1.00 0.00 C ATOM 673 CZ PHE A 45 -0.592 -17.873 -2.192 1.00 0.00 C ATOM 0 H PHE A 45 4.530 -13.510 -2.000 1.00 0.00 H new ATOM 0 HA PHE A 45 2.863 -14.605 -4.013 1.00 0.00 H new ATOM 0 HB2 PHE A 45 3.689 -15.827 -2.012 1.00 0.00 H new ATOM 0 HB3 PHE A 45 2.778 -14.757 -0.966 1.00 0.00 H new ATOM 0 HD1 PHE A 45 2.350 -17.248 -3.705 1.00 0.00 H new ATOM 0 HD2 PHE A 45 0.560 -15.280 -0.378 1.00 0.00 H new ATOM 0 HE1 PHE A 45 0.424 -18.762 -3.847 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -1.372 -16.793 -0.520 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.438 -18.541 -2.254 1.00 0.00 H new ATOM 683 N ILE A 46 1.604 -12.161 -2.298 1.00 0.00 N ATOM 684 CA ILE A 46 0.426 -11.327 -2.165 1.00 0.00 C ATOM 685 C ILE A 46 0.325 -10.337 -3.352 1.00 0.00 C ATOM 686 O ILE A 46 -0.710 -9.687 -3.561 1.00 0.00 O ATOM 687 CB ILE A 46 0.416 -10.553 -0.798 1.00 0.00 C ATOM 688 CG1 ILE A 46 -0.966 -9.974 -0.507 1.00 0.00 C ATOM 689 CG2 ILE A 46 1.465 -9.446 -0.771 1.00 0.00 C ATOM 690 CD1 ILE A 46 -2.011 -11.037 -0.284 1.00 0.00 C ATOM 0 H ILE A 46 2.439 -11.807 -1.831 1.00 0.00 H new ATOM 0 HA ILE A 46 -0.446 -11.981 -2.179 1.00 0.00 H new ATOM 0 HB ILE A 46 0.665 -11.274 -0.019 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.909 -9.337 0.375 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.272 -9.340 -1.339 1.00 0.00 H new ATOM 0 HG21 ILE A 46 1.428 -8.933 0.190 1.00 0.00 H new ATOM 0 HG22 ILE A 46 2.455 -9.879 -0.913 1.00 0.00 H new ATOM 0 HG23 ILE A 46 1.263 -8.733 -1.571 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.973 -10.565 -0.082 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -2.093 -11.660 -1.175 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.725 -11.656 0.566 1.00 0.00 H new ATOM 702 N ALA A 47 1.393 -10.270 -4.148 1.00 0.00 N ATOM 703 CA ALA A 47 1.474 -9.338 -5.273 1.00 0.00 C ATOM 704 C ALA A 47 0.321 -9.495 -6.298 1.00 0.00 C ATOM 705 O ALA A 47 -0.316 -8.495 -6.631 1.00 0.00 O ATOM 706 CB ALA A 47 2.842 -9.387 -5.952 1.00 0.00 C ATOM 0 H ALA A 47 2.220 -10.855 -4.033 1.00 0.00 H new ATOM 0 HA ALA A 47 1.350 -8.346 -4.840 1.00 0.00 H new ATOM 0 HB1 ALA A 47 2.862 -8.681 -6.782 1.00 0.00 H new ATOM 0 HB2 ALA A 47 3.616 -9.122 -5.231 1.00 0.00 H new ATOM 0 HB3 ALA A 47 3.026 -10.394 -6.328 1.00 0.00 H new ATOM 712 N PRO A 48 0.018 -10.742 -6.811 1.00 0.00 N ATOM 713 CA PRO A 48 -1.070 -10.952 -7.784 1.00 0.00 C ATOM 714 C PRO A 48 -2.412 -10.361 -7.334 1.00 0.00 C ATOM 715 O PRO A 48 -3.118 -9.733 -8.132 1.00 0.00 O ATOM 716 CB PRO A 48 -1.188 -12.483 -7.892 1.00 0.00 C ATOM 717 CG PRO A 48 -0.341 -13.033 -6.792 1.00 0.00 C ATOM 718 CD PRO A 48 0.717 -12.014 -6.532 1.00 0.00 C ATOM 0 HA PRO A 48 -0.842 -10.454 -8.726 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -2.224 -12.804 -7.786 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -0.843 -12.834 -8.864 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -0.935 -13.214 -5.896 1.00 0.00 H new ATOM 0 HG3 PRO A 48 0.100 -13.987 -7.080 1.00 0.00 H new ATOM 0 HD2 PRO A 48 1.080 -12.060 -5.505 1.00 0.00 H new ATOM 0 HD3 PRO A 48 1.581 -12.152 -7.182 1.00 0.00 H new ATOM 726 N PHE A 49 -2.753 -10.523 -6.064 1.00 0.00 N ATOM 727 CA PHE A 49 -4.020 -10.016 -5.582 1.00 0.00 C ATOM 728 C PHE A 49 -3.957 -8.513 -5.368 1.00 0.00 C ATOM 729 O PHE A 49 -4.917 -7.800 -5.648 1.00 0.00 O ATOM 730 CB PHE A 49 -4.488 -10.734 -4.306 1.00 0.00 C ATOM 731 CG PHE A 49 -5.841 -10.256 -3.828 1.00 0.00 C ATOM 732 CD1 PHE A 49 -7.000 -10.734 -4.415 1.00 0.00 C ATOM 733 CD2 PHE A 49 -5.946 -9.324 -2.807 1.00 0.00 C ATOM 734 CE1 PHE A 49 -8.239 -10.289 -3.997 1.00 0.00 C ATOM 735 CE2 PHE A 49 -7.181 -8.878 -2.384 1.00 0.00 C ATOM 736 CZ PHE A 49 -8.330 -9.363 -2.979 1.00 0.00 C ATOM 0 H PHE A 49 -2.180 -10.993 -5.364 1.00 0.00 H new ATOM 0 HA PHE A 49 -4.761 -10.224 -6.354 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -4.532 -11.807 -4.494 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -3.753 -10.578 -3.516 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -6.935 -11.463 -5.209 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -5.051 -8.943 -2.338 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -9.136 -10.666 -4.467 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -7.250 -8.151 -1.589 1.00 0.00 H new ATOM 0 HZ PHE A 49 -9.298 -9.017 -2.647 1.00 0.00 H new ATOM 746 N PHE A 50 -2.819 -8.025 -4.901 1.00 0.00 N ATOM 747 CA PHE A 50 -2.660 -6.600 -4.657 1.00 0.00 C ATOM 748 C PHE A 50 -2.742 -5.836 -5.989 1.00 0.00 C ATOM 749 O PHE A 50 -3.299 -4.743 -6.063 1.00 0.00 O ATOM 750 CB PHE A 50 -1.332 -6.327 -3.929 1.00 0.00 C ATOM 751 CG PHE A 50 -1.166 -4.912 -3.435 1.00 0.00 C ATOM 752 CD1 PHE A 50 -1.654 -4.545 -2.190 1.00 0.00 C ATOM 753 CD2 PHE A 50 -0.525 -3.958 -4.202 1.00 0.00 C ATOM 754 CE1 PHE A 50 -1.501 -3.255 -1.723 1.00 0.00 C ATOM 755 CE2 PHE A 50 -0.369 -2.669 -3.740 1.00 0.00 C ATOM 756 CZ PHE A 50 -0.857 -2.315 -2.501 1.00 0.00 C ATOM 0 H PHE A 50 -1.997 -8.589 -4.685 1.00 0.00 H new ATOM 0 HA PHE A 50 -3.465 -6.249 -4.012 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -1.252 -7.006 -3.080 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.508 -6.561 -4.603 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.160 -5.277 -1.578 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -0.142 -4.226 -5.175 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -1.884 -2.982 -0.751 1.00 0.00 H new ATOM 0 HE2 PHE A 50 0.137 -1.935 -4.350 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.736 -1.304 -2.140 1.00 0.00 H new ATOM 766 N ALA A 51 -2.212 -6.450 -7.041 1.00 0.00 N ATOM 767 CA ALA A 51 -2.266 -5.876 -8.383 1.00 0.00 C ATOM 768 C ALA A 51 -3.696 -5.922 -8.937 1.00 0.00 C ATOM 769 O ALA A 51 -4.093 -5.074 -9.742 1.00 0.00 O ATOM 770 CB ALA A 51 -1.307 -6.609 -9.313 1.00 0.00 C ATOM 0 H ALA A 51 -1.737 -7.351 -6.991 1.00 0.00 H new ATOM 0 HA ALA A 51 -1.959 -4.832 -8.322 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.359 -6.170 -10.309 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.290 -6.521 -8.930 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.585 -7.662 -9.366 1.00 0.00 H new ATOM 776 N ASP A 52 -4.467 -6.909 -8.490 1.00 0.00 N ATOM 777 CA ASP A 52 -5.874 -7.051 -8.905 1.00 0.00 C ATOM 778 C ASP A 52 -6.675 -5.971 -8.285 1.00 0.00 C ATOM 779 O ASP A 52 -7.501 -5.331 -8.929 1.00 0.00 O ATOM 780 CB ASP A 52 -6.448 -8.373 -8.446 1.00 0.00 C ATOM 781 CG ASP A 52 -7.888 -8.551 -8.893 1.00 0.00 C ATOM 782 OD1 ASP A 52 -8.128 -8.707 -10.111 1.00 0.00 O ATOM 783 OD2 ASP A 52 -8.807 -8.507 -8.041 1.00 0.00 O ATOM 0 H ASP A 52 -4.148 -7.627 -7.839 1.00 0.00 H new ATOM 0 HA ASP A 52 -5.911 -6.999 -9.993 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -5.842 -9.188 -8.841 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -6.395 -8.434 -7.359 1.00 0.00 H new ATOM 788 N LEU A 53 -6.410 -5.776 -7.031 1.00 0.00 N ATOM 789 CA LEU A 53 -6.995 -4.783 -6.234 1.00 0.00 C ATOM 790 C LEU A 53 -6.691 -3.401 -6.829 1.00 0.00 C ATOM 791 O LEU A 53 -7.574 -2.544 -6.934 1.00 0.00 O ATOM 792 CB LEU A 53 -6.394 -4.948 -4.853 1.00 0.00 C ATOM 793 CG LEU A 53 -6.772 -3.934 -3.841 1.00 0.00 C ATOM 794 CD1 LEU A 53 -8.263 -3.962 -3.538 1.00 0.00 C ATOM 795 CD2 LEU A 53 -5.928 -4.041 -2.584 1.00 0.00 C ATOM 0 H LEU A 53 -5.737 -6.348 -6.521 1.00 0.00 H new ATOM 0 HA LEU A 53 -8.080 -4.872 -6.186 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -6.676 -5.930 -4.474 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -5.308 -4.944 -4.951 1.00 0.00 H new ATOM 0 HG LEU A 53 -6.559 -2.957 -4.276 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -8.497 -3.203 -2.791 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -8.824 -3.758 -4.450 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -8.538 -4.945 -3.155 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -6.240 -3.279 -1.870 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -6.059 -5.028 -2.141 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -4.878 -3.893 -2.837 1.00 0.00 H new ATOM 807 N ALA A 54 -5.442 -3.218 -7.247 1.00 0.00 N ATOM 808 CA ALA A 54 -4.991 -1.991 -7.911 1.00 0.00 C ATOM 809 C ALA A 54 -5.747 -1.753 -9.217 1.00 0.00 C ATOM 810 O ALA A 54 -5.974 -0.620 -9.627 1.00 0.00 O ATOM 811 CB ALA A 54 -3.490 -2.038 -8.163 1.00 0.00 C ATOM 0 H ALA A 54 -4.708 -3.918 -7.136 1.00 0.00 H new ATOM 0 HA ALA A 54 -5.206 -1.155 -7.245 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -3.175 -1.119 -8.656 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.965 -2.139 -7.213 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -3.255 -2.891 -8.800 1.00 0.00 H new ATOM 817 N LYS A 55 -6.116 -2.826 -9.870 1.00 0.00 N ATOM 818 CA LYS A 55 -6.868 -2.759 -11.106 1.00 0.00 C ATOM 819 C LYS A 55 -8.339 -2.464 -10.812 1.00 0.00 C ATOM 820 O LYS A 55 -9.001 -1.737 -11.542 1.00 0.00 O ATOM 821 CB LYS A 55 -6.724 -4.094 -11.856 1.00 0.00 C ATOM 822 CG LYS A 55 -7.467 -4.186 -13.176 1.00 0.00 C ATOM 823 CD LYS A 55 -7.265 -5.555 -13.810 1.00 0.00 C ATOM 824 CE LYS A 55 -7.986 -5.678 -15.142 1.00 0.00 C ATOM 825 NZ LYS A 55 -7.504 -4.688 -16.128 1.00 0.00 N ATOM 0 H LYS A 55 -5.905 -3.775 -9.562 1.00 0.00 H new ATOM 0 HA LYS A 55 -6.478 -1.954 -11.729 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -5.665 -4.274 -12.042 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -7.074 -4.896 -11.206 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -8.530 -4.007 -13.014 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -7.113 -3.409 -13.854 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -6.200 -5.733 -13.957 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -7.626 -6.326 -13.130 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -7.844 -6.683 -15.539 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -9.057 -5.544 -14.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -7.868 -4.932 -17.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -7.841 -3.741 -15.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -6.464 -4.694 -16.146 1.00 0.00 H new ATOM 839 N LYS A 56 -8.808 -3.004 -9.714 1.00 0.00 N ATOM 840 CA LYS A 56 -10.199 -2.928 -9.318 1.00 0.00 C ATOM 841 C LYS A 56 -10.594 -1.546 -8.783 1.00 0.00 C ATOM 842 O LYS A 56 -11.685 -1.051 -9.083 1.00 0.00 O ATOM 843 CB LYS A 56 -10.487 -4.016 -8.271 1.00 0.00 C ATOM 844 CG LYS A 56 -11.919 -4.077 -7.778 1.00 0.00 C ATOM 845 CD LYS A 56 -12.094 -5.199 -6.775 1.00 0.00 C ATOM 846 CE LYS A 56 -13.520 -5.284 -6.269 1.00 0.00 C ATOM 847 NZ LYS A 56 -13.693 -6.407 -5.328 1.00 0.00 N ATOM 0 H LYS A 56 -8.224 -3.520 -9.055 1.00 0.00 H new ATOM 0 HA LYS A 56 -10.806 -3.094 -10.208 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -10.225 -4.985 -8.696 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -9.832 -3.856 -7.415 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -12.191 -3.127 -7.319 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -12.593 -4.228 -8.621 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -11.815 -6.146 -7.237 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -11.418 -5.043 -5.934 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -13.789 -4.350 -5.776 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -14.200 -5.406 -7.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -14.680 -6.437 -5.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -13.460 -7.300 -5.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -13.061 -6.277 -4.512 1.00 0.00 H new ATOM 861 N LEU A 57 -9.730 -0.925 -8.006 1.00 0.00 N ATOM 862 CA LEU A 57 -10.062 0.335 -7.398 1.00 0.00 C ATOM 863 C LEU A 57 -9.310 1.523 -7.973 1.00 0.00 C ATOM 864 O LEU A 57 -8.135 1.710 -7.714 1.00 0.00 O ATOM 865 CB LEU A 57 -9.893 0.248 -5.908 1.00 0.00 C ATOM 866 CG LEU A 57 -10.865 -0.678 -5.210 1.00 0.00 C ATOM 867 CD1 LEU A 57 -10.500 -0.835 -3.752 1.00 0.00 C ATOM 868 CD2 LEU A 57 -12.287 -0.148 -5.340 1.00 0.00 C ATOM 0 H LEU A 57 -8.798 -1.275 -7.785 1.00 0.00 H new ATOM 0 HA LEU A 57 -11.109 0.525 -7.636 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -8.878 -0.084 -5.691 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -9.999 1.247 -5.486 1.00 0.00 H new ATOM 0 HG LEU A 57 -10.808 -1.656 -5.688 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -11.212 -1.505 -3.269 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -9.496 -1.252 -3.671 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -10.529 0.139 -3.263 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -12.975 -0.824 -4.833 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -12.350 0.841 -4.886 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -12.555 -0.081 -6.394 1.00 0.00 H new ATOM 880 N PRO A 58 -10.012 2.346 -8.762 1.00 0.00 N ATOM 881 CA PRO A 58 -9.444 3.561 -9.378 1.00 0.00 C ATOM 882 C PRO A 58 -9.481 4.782 -8.430 1.00 0.00 C ATOM 883 O PRO A 58 -9.088 5.888 -8.804 1.00 0.00 O ATOM 884 CB PRO A 58 -10.394 3.793 -10.552 1.00 0.00 C ATOM 885 CG PRO A 58 -11.719 3.328 -10.037 1.00 0.00 C ATOM 886 CD PRO A 58 -11.423 2.139 -9.157 1.00 0.00 C ATOM 0 HA PRO A 58 -8.394 3.441 -9.645 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -10.424 4.844 -10.841 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -10.087 3.229 -11.433 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -12.218 4.117 -9.474 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -12.382 3.052 -10.857 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -12.082 2.107 -8.290 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -11.556 1.199 -9.693 1.00 0.00 H new ATOM 894 N ASN A 59 -9.968 4.576 -7.223 1.00 0.00 N ATOM 895 CA ASN A 59 -10.086 5.655 -6.241 1.00 0.00 C ATOM 896 C ASN A 59 -9.027 5.483 -5.151 1.00 0.00 C ATOM 897 O ASN A 59 -8.940 6.256 -4.202 1.00 0.00 O ATOM 898 CB ASN A 59 -11.518 5.661 -5.652 1.00 0.00 C ATOM 899 CG ASN A 59 -11.808 6.802 -4.664 1.00 0.00 C ATOM 900 OD1 ASN A 59 -12.200 7.903 -5.067 1.00 0.00 O ATOM 901 ND2 ASN A 59 -11.693 6.532 -3.385 1.00 0.00 N ATOM 0 H ASN A 59 -10.292 3.668 -6.889 1.00 0.00 H new ATOM 0 HA ASN A 59 -9.913 6.618 -6.722 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -12.232 5.721 -6.473 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -11.691 4.711 -5.147 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -11.930 7.241 -2.691 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -11.367 5.613 -3.085 1.00 0.00 H new ATOM 908 N VAL A 60 -8.208 4.474 -5.315 1.00 0.00 N ATOM 909 CA VAL A 60 -7.187 4.164 -4.350 1.00 0.00 C ATOM 910 C VAL A 60 -5.816 4.279 -4.996 1.00 0.00 C ATOM 911 O VAL A 60 -5.616 3.846 -6.128 1.00 0.00 O ATOM 912 CB VAL A 60 -7.379 2.741 -3.741 1.00 0.00 C ATOM 913 CG1 VAL A 60 -6.301 2.425 -2.706 1.00 0.00 C ATOM 914 CG2 VAL A 60 -8.765 2.598 -3.125 1.00 0.00 C ATOM 0 H VAL A 60 -8.231 3.847 -6.119 1.00 0.00 H new ATOM 0 HA VAL A 60 -7.267 4.882 -3.534 1.00 0.00 H new ATOM 0 HB VAL A 60 -7.284 2.022 -4.554 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -6.466 1.426 -2.302 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.319 2.468 -3.178 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -6.347 3.155 -1.898 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -8.876 1.598 -2.707 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -8.890 3.338 -2.334 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -9.522 2.756 -3.893 1.00 0.00 H new ATOM 924 N LEU A 61 -4.910 4.910 -4.306 1.00 0.00 N ATOM 925 CA LEU A 61 -3.556 5.040 -4.756 1.00 0.00 C ATOM 926 C LEU A 61 -2.732 3.975 -4.041 1.00 0.00 C ATOM 927 O LEU A 61 -2.619 3.982 -2.809 1.00 0.00 O ATOM 928 CB LEU A 61 -3.026 6.445 -4.441 1.00 0.00 C ATOM 929 CG LEU A 61 -1.631 6.787 -4.975 1.00 0.00 C ATOM 930 CD1 LEU A 61 -1.601 6.735 -6.496 1.00 0.00 C ATOM 931 CD2 LEU A 61 -1.184 8.152 -4.472 1.00 0.00 C ATOM 0 H LEU A 61 -5.094 5.353 -3.406 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.491 4.902 -5.835 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.732 7.173 -4.841 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.017 6.571 -3.358 1.00 0.00 H new ATOM 0 HG LEU A 61 -0.933 6.039 -4.600 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.600 6.982 -6.849 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -1.867 5.732 -6.831 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.315 7.454 -6.899 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.191 8.376 -4.862 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -1.887 8.913 -4.811 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.153 8.146 -3.382 1.00 0.00 H new ATOM 943 N PHE A 62 -2.195 3.054 -4.796 1.00 0.00 N ATOM 944 CA PHE A 62 -1.462 1.933 -4.235 1.00 0.00 C ATOM 945 C PHE A 62 0.024 2.172 -4.368 1.00 0.00 C ATOM 946 O PHE A 62 0.510 2.568 -5.439 1.00 0.00 O ATOM 947 CB PHE A 62 -1.795 0.656 -4.991 1.00 0.00 C ATOM 948 CG PHE A 62 -3.266 0.323 -5.041 1.00 0.00 C ATOM 949 CD1 PHE A 62 -4.113 0.943 -5.946 1.00 0.00 C ATOM 950 CD2 PHE A 62 -3.796 -0.604 -4.176 1.00 0.00 C ATOM 951 CE1 PHE A 62 -5.458 0.640 -5.972 1.00 0.00 C ATOM 952 CE2 PHE A 62 -5.131 -0.908 -4.195 1.00 0.00 C ATOM 953 CZ PHE A 62 -5.966 -0.287 -5.091 1.00 0.00 C ATOM 0 H PHE A 62 -2.249 3.053 -5.815 1.00 0.00 H new ATOM 0 HA PHE A 62 -1.742 1.835 -3.186 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -1.421 0.745 -6.011 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -1.263 -0.175 -4.527 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -3.716 1.671 -6.638 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -3.148 -1.101 -3.469 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -6.110 1.128 -6.681 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -5.528 -1.637 -3.504 1.00 0.00 H new ATOM 0 HZ PHE A 62 -7.019 -0.526 -5.104 1.00 0.00 H new ATOM 963 N LEU A 63 0.732 1.928 -3.312 1.00 0.00 N ATOM 964 CA LEU A 63 2.165 2.086 -3.278 1.00 0.00 C ATOM 965 C LEU A 63 2.833 0.892 -2.648 1.00 0.00 C ATOM 966 O LEU A 63 2.328 0.327 -1.689 1.00 0.00 O ATOM 967 CB LEU A 63 2.622 3.346 -2.513 1.00 0.00 C ATOM 968 CG LEU A 63 2.350 4.730 -3.126 1.00 0.00 C ATOM 969 CD1 LEU A 63 0.887 5.102 -3.085 1.00 0.00 C ATOM 970 CD2 LEU A 63 3.197 5.787 -2.447 1.00 0.00 C ATOM 0 H LEU A 63 0.331 1.608 -2.430 1.00 0.00 H new ATOM 0 HA LEU A 63 2.463 2.187 -4.322 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.151 3.323 -1.530 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.697 3.262 -2.353 1.00 0.00 H new ATOM 0 HG LEU A 63 2.630 4.677 -4.178 1.00 0.00 H new ATOM 0 HD11 LEU A 63 0.750 6.088 -3.530 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.309 4.367 -3.645 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.545 5.120 -2.050 1.00 0.00 H new ATOM 0 HD21 LEU A 63 2.992 6.760 -2.893 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.958 5.818 -1.384 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.252 5.545 -2.574 1.00 0.00 H new ATOM 982 N LYS A 64 3.955 0.521 -3.202 1.00 0.00 N ATOM 983 CA LYS A 64 4.792 -0.487 -2.689 1.00 0.00 C ATOM 984 C LYS A 64 6.119 0.093 -2.326 1.00 0.00 C ATOM 985 O LYS A 64 6.796 0.682 -3.168 1.00 0.00 O ATOM 986 CB LYS A 64 4.962 -1.587 -3.686 1.00 0.00 C ATOM 987 CG LYS A 64 3.907 -2.615 -3.517 1.00 0.00 C ATOM 988 CD LYS A 64 3.993 -3.726 -4.501 1.00 0.00 C ATOM 989 CE LYS A 64 2.942 -4.740 -4.158 1.00 0.00 C ATOM 990 NZ LYS A 64 3.255 -5.504 -2.923 1.00 0.00 N ATOM 0 H LYS A 64 4.311 0.942 -4.060 1.00 0.00 H new ATOM 0 HA LYS A 64 4.330 -0.905 -1.795 1.00 0.00 H new ATOM 0 HB2 LYS A 64 4.921 -1.179 -4.696 1.00 0.00 H new ATOM 0 HB3 LYS A 64 5.944 -2.044 -3.567 1.00 0.00 H new ATOM 0 HG2 LYS A 64 3.972 -3.027 -2.510 1.00 0.00 H new ATOM 0 HG3 LYS A 64 2.930 -2.139 -3.604 1.00 0.00 H new ATOM 0 HD2 LYS A 64 3.842 -3.350 -5.513 1.00 0.00 H new ATOM 0 HD3 LYS A 64 4.983 -4.181 -4.475 1.00 0.00 H new ATOM 0 HE2 LYS A 64 1.984 -4.235 -4.033 1.00 0.00 H new ATOM 0 HE3 LYS A 64 2.830 -5.435 -4.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 2.372 -5.741 -2.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 3.757 -6.379 -3.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 3.856 -4.927 -2.301 1.00 0.00 H new ATOM 1004 N VAL A 65 6.481 -0.027 -1.100 1.00 0.00 N ATOM 1005 CA VAL A 65 7.733 0.493 -0.631 1.00 0.00 C ATOM 1006 C VAL A 65 8.553 -0.658 -0.135 1.00 0.00 C ATOM 1007 O VAL A 65 8.136 -1.365 0.802 1.00 0.00 O ATOM 1008 CB VAL A 65 7.522 1.520 0.518 1.00 0.00 C ATOM 1009 CG1 VAL A 65 8.848 2.091 0.999 1.00 0.00 C ATOM 1010 CG2 VAL A 65 6.591 2.635 0.072 1.00 0.00 C ATOM 0 H VAL A 65 5.921 -0.489 -0.383 1.00 0.00 H new ATOM 0 HA VAL A 65 8.239 1.010 -1.447 1.00 0.00 H new ATOM 0 HB VAL A 65 7.061 0.995 1.355 1.00 0.00 H new ATOM 0 HG11 VAL A 65 8.667 2.805 1.802 1.00 0.00 H new ATOM 0 HG12 VAL A 65 9.480 1.283 1.368 1.00 0.00 H new ATOM 0 HG13 VAL A 65 9.349 2.594 0.172 1.00 0.00 H new ATOM 0 HG21 VAL A 65 6.455 3.344 0.889 1.00 0.00 H new ATOM 0 HG22 VAL A 65 7.024 3.149 -0.786 1.00 0.00 H new ATOM 0 HG23 VAL A 65 5.625 2.213 -0.207 1.00 0.00 H new ATOM 1020 N ASP A 66 9.691 -0.901 -0.751 1.00 0.00 N ATOM 1021 CA ASP A 66 10.466 -1.959 -0.348 1.00 0.00 C ATOM 1022 C ASP A 66 11.295 -1.564 0.858 1.00 0.00 C ATOM 1023 O ASP A 66 12.032 -0.576 0.861 1.00 0.00 O ATOM 1024 CB ASP A 66 11.296 -2.507 -1.490 1.00 0.00 C ATOM 1025 CG ASP A 66 12.564 -1.800 -1.782 1.00 0.00 C ATOM 1026 OD1 ASP A 66 12.527 -0.729 -2.399 1.00 0.00 O ATOM 1027 OD2 ASP A 66 13.630 -2.361 -1.441 1.00 0.00 O ATOM 0 H ASP A 66 10.064 -0.356 -1.528 1.00 0.00 H new ATOM 0 HA ASP A 66 9.817 -2.779 -0.039 1.00 0.00 H new ATOM 0 HB2 ASP A 66 11.528 -3.550 -1.273 1.00 0.00 H new ATOM 0 HB3 ASP A 66 10.684 -2.497 -2.392 1.00 0.00 H new ATOM 1032 N THR A 67 11.123 -2.323 1.885 1.00 0.00 N ATOM 1033 CA THR A 67 11.758 -2.111 3.151 1.00 0.00 C ATOM 1034 C THR A 67 13.248 -2.447 3.123 1.00 0.00 C ATOM 1035 O THR A 67 13.974 -2.148 4.061 1.00 0.00 O ATOM 1036 CB THR A 67 11.026 -2.904 4.253 1.00 0.00 C ATOM 1037 OG1 THR A 67 10.895 -4.281 3.848 1.00 0.00 O ATOM 1038 CG2 THR A 67 9.640 -2.324 4.501 1.00 0.00 C ATOM 0 H THR A 67 10.514 -3.141 1.871 1.00 0.00 H new ATOM 0 HA THR A 67 11.689 -1.047 3.378 1.00 0.00 H new ATOM 0 HB THR A 67 11.607 -2.837 5.173 1.00 0.00 H new ATOM 0 HG1 THR A 67 11.208 -4.865 4.570 1.00 0.00 H new ATOM 0 HG21 THR A 67 9.140 -2.897 5.282 1.00 0.00 H new ATOM 0 HG22 THR A 67 9.732 -1.285 4.816 1.00 0.00 H new ATOM 0 HG23 THR A 67 9.055 -2.374 3.583 1.00 0.00 H new ATOM 1046 N ASP A 68 13.688 -3.071 2.037 1.00 0.00 N ATOM 1047 CA ASP A 68 15.087 -3.426 1.868 1.00 0.00 C ATOM 1048 C ASP A 68 15.870 -2.171 1.563 1.00 0.00 C ATOM 1049 O ASP A 68 16.920 -1.906 2.161 1.00 0.00 O ATOM 1050 CB ASP A 68 15.237 -4.413 0.723 1.00 0.00 C ATOM 1051 CG ASP A 68 16.665 -4.847 0.493 1.00 0.00 C ATOM 1052 OD1 ASP A 68 17.374 -4.202 -0.290 1.00 0.00 O ATOM 1053 OD2 ASP A 68 17.088 -5.863 1.078 1.00 0.00 O ATOM 0 H ASP A 68 13.090 -3.342 1.257 1.00 0.00 H new ATOM 0 HA ASP A 68 15.463 -3.889 2.781 1.00 0.00 H new ATOM 0 HB2 ASP A 68 14.626 -5.292 0.927 1.00 0.00 H new ATOM 0 HB3 ASP A 68 14.850 -3.961 -0.190 1.00 0.00 H new ATOM 1058 N GLU A 69 15.345 -1.402 0.644 1.00 0.00 N ATOM 1059 CA GLU A 69 15.867 -0.124 0.304 1.00 0.00 C ATOM 1060 C GLU A 69 15.542 0.894 1.383 1.00 0.00 C ATOM 1061 O GLU A 69 16.443 1.525 1.959 1.00 0.00 O ATOM 1062 CB GLU A 69 15.280 0.307 -1.033 1.00 0.00 C ATOM 1063 CG GLU A 69 15.904 -0.343 -2.250 1.00 0.00 C ATOM 1064 CD GLU A 69 17.345 0.037 -2.434 1.00 0.00 C ATOM 1065 OE1 GLU A 69 17.620 1.060 -3.102 1.00 0.00 O ATOM 1066 OE2 GLU A 69 18.233 -0.673 -1.935 1.00 0.00 O ATOM 0 H GLU A 69 14.521 -1.664 0.103 1.00 0.00 H new ATOM 0 HA GLU A 69 16.952 -0.185 0.224 1.00 0.00 H new ATOM 0 HB2 GLU A 69 14.212 0.087 -1.031 1.00 0.00 H new ATOM 0 HB3 GLU A 69 15.383 1.388 -1.125 1.00 0.00 H new ATOM 0 HG2 GLU A 69 15.827 -1.426 -2.158 1.00 0.00 H new ATOM 0 HG3 GLU A 69 15.341 -0.058 -3.138 1.00 0.00 H new ATOM 1073 N LEU A 70 14.271 1.046 1.685 1.00 0.00 N ATOM 1074 CA LEU A 70 13.841 2.002 2.618 1.00 0.00 C ATOM 1075 C LEU A 70 13.835 1.480 4.047 1.00 0.00 C ATOM 1076 O LEU A 70 12.774 1.158 4.611 1.00 0.00 O ATOM 1077 CB LEU A 70 12.476 2.567 2.248 1.00 0.00 C ATOM 1078 CG LEU A 70 12.353 3.433 0.980 1.00 0.00 C ATOM 1079 CD1 LEU A 70 13.351 4.576 0.988 1.00 0.00 C ATOM 1080 CD2 LEU A 70 12.454 2.611 -0.286 1.00 0.00 C ATOM 0 H LEU A 70 13.519 0.493 1.273 1.00 0.00 H new ATOM 0 HA LEU A 70 14.574 2.808 2.579 1.00 0.00 H new ATOM 0 HB2 LEU A 70 11.788 1.728 2.143 1.00 0.00 H new ATOM 0 HB3 LEU A 70 12.125 3.163 3.091 1.00 0.00 H new ATOM 0 HG LEU A 70 11.355 3.870 0.990 1.00 0.00 H new ATOM 0 HD11 LEU A 70 13.236 5.166 0.079 1.00 0.00 H new ATOM 0 HD12 LEU A 70 13.172 5.209 1.857 1.00 0.00 H new ATOM 0 HD13 LEU A 70 14.363 4.175 1.034 1.00 0.00 H new ATOM 0 HD21 LEU A 70 12.362 3.265 -1.153 1.00 0.00 H new ATOM 0 HD22 LEU A 70 13.419 2.104 -0.315 1.00 0.00 H new ATOM 0 HD23 LEU A 70 11.655 1.870 -0.304 1.00 0.00 H new ATOM 1092 N LYS A 71 15.009 1.367 4.619 1.00 0.00 N ATOM 1093 CA LYS A 71 15.139 0.957 6.005 1.00 0.00 C ATOM 1094 C LYS A 71 14.612 2.045 6.933 1.00 0.00 C ATOM 1095 O LYS A 71 13.985 1.756 7.946 1.00 0.00 O ATOM 1096 CB LYS A 71 16.582 0.586 6.350 1.00 0.00 C ATOM 1097 CG LYS A 71 17.114 -0.634 5.616 1.00 0.00 C ATOM 1098 CD LYS A 71 16.317 -1.882 5.970 1.00 0.00 C ATOM 1099 CE LYS A 71 16.850 -3.110 5.259 1.00 0.00 C ATOM 1100 NZ LYS A 71 16.019 -4.304 5.524 1.00 0.00 N ATOM 0 H LYS A 71 15.894 1.553 4.148 1.00 0.00 H new ATOM 0 HA LYS A 71 14.535 0.061 6.148 1.00 0.00 H new ATOM 0 HB2 LYS A 71 17.225 1.437 6.127 1.00 0.00 H new ATOM 0 HB3 LYS A 71 16.651 0.407 7.423 1.00 0.00 H new ATOM 0 HG2 LYS A 71 17.068 -0.463 4.540 1.00 0.00 H new ATOM 0 HG3 LYS A 71 18.163 -0.785 5.870 1.00 0.00 H new ATOM 0 HD2 LYS A 71 16.352 -2.042 7.048 1.00 0.00 H new ATOM 0 HD3 LYS A 71 15.271 -1.733 5.703 1.00 0.00 H new ATOM 0 HE2 LYS A 71 16.884 -2.922 4.186 1.00 0.00 H new ATOM 0 HE3 LYS A 71 17.873 -3.301 5.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 16.417 -5.122 5.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 16.007 -4.499 6.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 15.048 -4.132 5.193 1.00 0.00 H new ATOM 1114 N SER A 72 14.845 3.299 6.564 1.00 0.00 N ATOM 1115 CA SER A 72 14.358 4.432 7.334 1.00 0.00 C ATOM 1116 C SER A 72 12.828 4.442 7.388 1.00 0.00 C ATOM 1117 O SER A 72 12.241 4.804 8.393 1.00 0.00 O ATOM 1118 CB SER A 72 14.888 5.733 6.751 1.00 0.00 C ATOM 1119 OG SER A 72 16.313 5.726 6.714 1.00 0.00 O ATOM 0 H SER A 72 15.372 3.556 5.730 1.00 0.00 H new ATOM 0 HA SER A 72 14.726 4.336 8.356 1.00 0.00 H new ATOM 0 HB2 SER A 72 14.494 5.873 5.744 1.00 0.00 H new ATOM 0 HB3 SER A 72 14.539 6.574 7.350 1.00 0.00 H new ATOM 0 HG SER A 72 16.635 6.570 6.334 1.00 0.00 H new ATOM 1125 N VAL A 73 12.192 4.007 6.312 1.00 0.00 N ATOM 1126 CA VAL A 73 10.744 3.942 6.270 1.00 0.00 C ATOM 1127 C VAL A 73 10.260 2.768 7.120 1.00 0.00 C ATOM 1128 O VAL A 73 9.320 2.902 7.908 1.00 0.00 O ATOM 1129 CB VAL A 73 10.209 3.836 4.815 1.00 0.00 C ATOM 1130 CG1 VAL A 73 8.695 3.744 4.799 1.00 0.00 C ATOM 1131 CG2 VAL A 73 10.664 5.036 3.998 1.00 0.00 C ATOM 0 H VAL A 73 12.656 3.695 5.459 1.00 0.00 H new ATOM 0 HA VAL A 73 10.348 4.870 6.682 1.00 0.00 H new ATOM 0 HB VAL A 73 10.614 2.927 4.371 1.00 0.00 H new ATOM 0 HG11 VAL A 73 8.346 3.671 3.769 1.00 0.00 H new ATOM 0 HG12 VAL A 73 8.378 2.860 5.353 1.00 0.00 H new ATOM 0 HG13 VAL A 73 8.271 4.635 5.263 1.00 0.00 H new ATOM 0 HG21 VAL A 73 10.282 4.949 2.981 1.00 0.00 H new ATOM 0 HG22 VAL A 73 10.283 5.951 4.452 1.00 0.00 H new ATOM 0 HG23 VAL A 73 11.753 5.069 3.975 1.00 0.00 H new ATOM 1141 N ALA A 74 10.942 1.631 6.990 1.00 0.00 N ATOM 1142 CA ALA A 74 10.629 0.447 7.786 1.00 0.00 C ATOM 1143 C ALA A 74 10.763 0.755 9.282 1.00 0.00 C ATOM 1144 O ALA A 74 9.963 0.306 10.097 1.00 0.00 O ATOM 1145 CB ALA A 74 11.544 -0.707 7.403 1.00 0.00 C ATOM 0 H ALA A 74 11.717 1.506 6.339 1.00 0.00 H new ATOM 0 HA ALA A 74 9.598 0.158 7.582 1.00 0.00 H new ATOM 0 HB1 ALA A 74 11.298 -1.582 8.005 1.00 0.00 H new ATOM 0 HB2 ALA A 74 11.409 -0.943 6.348 1.00 0.00 H new ATOM 0 HB3 ALA A 74 12.581 -0.424 7.582 1.00 0.00 H new ATOM 1151 N SER A 75 11.770 1.535 9.619 1.00 0.00 N ATOM 1152 CA SER A 75 12.017 1.926 10.983 1.00 0.00 C ATOM 1153 C SER A 75 11.010 3.007 11.447 1.00 0.00 C ATOM 1154 O SER A 75 10.609 3.040 12.622 1.00 0.00 O ATOM 1155 CB SER A 75 13.469 2.431 11.116 1.00 0.00 C ATOM 1156 OG SER A 75 13.780 2.806 12.446 1.00 0.00 O ATOM 0 H SER A 75 12.439 1.914 8.949 1.00 0.00 H new ATOM 0 HA SER A 75 11.880 1.059 11.629 1.00 0.00 H new ATOM 0 HB2 SER A 75 14.156 1.650 10.789 1.00 0.00 H new ATOM 0 HB3 SER A 75 13.618 3.284 10.454 1.00 0.00 H new ATOM 0 HG SER A 75 14.708 3.118 12.489 1.00 0.00 H new ATOM 1162 N ASP A 76 10.575 3.859 10.525 1.00 0.00 N ATOM 1163 CA ASP A 76 9.683 4.975 10.870 1.00 0.00 C ATOM 1164 C ASP A 76 8.269 4.501 11.147 1.00 0.00 C ATOM 1165 O ASP A 76 7.561 5.087 11.951 1.00 0.00 O ATOM 1166 CB ASP A 76 9.686 6.057 9.780 1.00 0.00 C ATOM 1167 CG ASP A 76 8.914 7.303 10.181 1.00 0.00 C ATOM 1168 OD1 ASP A 76 9.433 8.077 11.024 1.00 0.00 O ATOM 1169 OD2 ASP A 76 7.816 7.556 9.638 1.00 0.00 O ATOM 0 H ASP A 76 10.820 3.804 9.536 1.00 0.00 H new ATOM 0 HA ASP A 76 10.072 5.417 11.787 1.00 0.00 H new ATOM 0 HB2 ASP A 76 10.716 6.332 9.551 1.00 0.00 H new ATOM 0 HB3 ASP A 76 9.255 5.647 8.867 1.00 0.00 H new ATOM 1174 N TRP A 77 7.861 3.441 10.495 1.00 0.00 N ATOM 1175 CA TRP A 77 6.536 2.911 10.710 1.00 0.00 C ATOM 1176 C TRP A 77 6.562 1.651 11.552 1.00 0.00 C ATOM 1177 O TRP A 77 5.518 1.069 11.839 1.00 0.00 O ATOM 1178 CB TRP A 77 5.827 2.673 9.398 1.00 0.00 C ATOM 1179 CG TRP A 77 5.674 3.921 8.597 1.00 0.00 C ATOM 1180 CD1 TRP A 77 6.412 4.292 7.524 1.00 0.00 C ATOM 1181 CD2 TRP A 77 4.741 4.978 8.828 1.00 0.00 C ATOM 1182 NE1 TRP A 77 5.992 5.504 7.061 1.00 0.00 N ATOM 1183 CE2 TRP A 77 4.966 5.949 7.842 1.00 0.00 C ATOM 1184 CE3 TRP A 77 3.734 5.192 9.769 1.00 0.00 C ATOM 1185 CZ2 TRP A 77 4.222 7.123 7.765 1.00 0.00 C ATOM 1186 CZ3 TRP A 77 2.997 6.355 9.695 1.00 0.00 C ATOM 1187 CH2 TRP A 77 3.242 7.307 8.700 1.00 0.00 C ATOM 0 H TRP A 77 8.423 2.930 9.814 1.00 0.00 H new ATOM 0 HA TRP A 77 5.974 3.661 11.267 1.00 0.00 H new ATOM 0 HB2 TRP A 77 6.383 1.938 8.816 1.00 0.00 H new ATOM 0 HB3 TRP A 77 4.843 2.247 9.593 1.00 0.00 H new ATOM 0 HD1 TRP A 77 7.217 3.712 7.097 1.00 0.00 H new ATOM 0 HE1 TRP A 77 6.383 5.999 6.259 1.00 0.00 H new ATOM 0 HE3 TRP A 77 3.536 4.462 10.540 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 4.411 7.859 6.997 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 2.216 6.534 10.419 1.00 0.00 H new ATOM 0 HH2 TRP A 77 2.644 8.206 8.670 1.00 0.00 H new ATOM 1198 N ALA A 78 7.765 1.261 11.965 1.00 0.00 N ATOM 1199 CA ALA A 78 8.002 0.063 12.765 1.00 0.00 C ATOM 1200 C ALA A 78 7.458 -1.186 12.090 1.00 0.00 C ATOM 1201 O ALA A 78 6.404 -1.715 12.461 1.00 0.00 O ATOM 1202 CB ALA A 78 7.485 0.207 14.191 1.00 0.00 C ATOM 0 H ALA A 78 8.617 1.778 11.749 1.00 0.00 H new ATOM 0 HA ALA A 78 9.083 -0.055 12.835 1.00 0.00 H new ATOM 0 HB1 ALA A 78 7.685 -0.710 14.745 1.00 0.00 H new ATOM 0 HB2 ALA A 78 7.988 1.042 14.678 1.00 0.00 H new ATOM 0 HB3 ALA A 78 6.411 0.392 14.172 1.00 0.00 H new ATOM 1208 N ILE A 79 8.135 -1.604 11.059 1.00 0.00 N ATOM 1209 CA ILE A 79 7.737 -2.771 10.318 1.00 0.00 C ATOM 1210 C ILE A 79 8.485 -3.971 10.835 1.00 0.00 C ATOM 1211 O ILE A 79 9.646 -4.205 10.487 1.00 0.00 O ATOM 1212 CB ILE A 79 7.962 -2.595 8.788 1.00 0.00 C ATOM 1213 CG1 ILE A 79 7.230 -1.335 8.276 1.00 0.00 C ATOM 1214 CG2 ILE A 79 7.508 -3.836 8.014 1.00 0.00 C ATOM 1215 CD1 ILE A 79 5.732 -1.324 8.537 1.00 0.00 C ATOM 0 H ILE A 79 8.977 -1.148 10.707 1.00 0.00 H new ATOM 0 HA ILE A 79 6.667 -2.919 10.463 1.00 0.00 H new ATOM 0 HB ILE A 79 9.031 -2.469 8.617 1.00 0.00 H new ATOM 0 HG12 ILE A 79 7.674 -0.457 8.745 1.00 0.00 H new ATOM 0 HG13 ILE A 79 7.399 -1.243 7.203 1.00 0.00 H new ATOM 0 HG21 ILE A 79 7.678 -3.682 6.948 1.00 0.00 H new ATOM 0 HG22 ILE A 79 8.076 -4.703 8.351 1.00 0.00 H new ATOM 0 HG23 ILE A 79 6.446 -4.007 8.191 1.00 0.00 H new ATOM 0 HD11 ILE A 79 5.301 -0.403 8.144 1.00 0.00 H new ATOM 0 HD12 ILE A 79 5.271 -2.180 8.044 1.00 0.00 H new ATOM 0 HD13 ILE A 79 5.549 -1.381 9.610 1.00 0.00 H new ATOM 1227 N GLN A 80 7.836 -4.693 11.699 1.00 0.00 N ATOM 1228 CA GLN A 80 8.404 -5.861 12.299 1.00 0.00 C ATOM 1229 C GLN A 80 8.150 -7.025 11.349 1.00 0.00 C ATOM 1230 O GLN A 80 9.083 -7.710 10.912 1.00 0.00 O ATOM 1231 CB GLN A 80 7.696 -6.110 13.659 1.00 0.00 C ATOM 1232 CG GLN A 80 8.333 -7.143 14.623 1.00 0.00 C ATOM 1233 CD GLN A 80 8.527 -8.535 14.045 1.00 0.00 C ATOM 1234 OE1 GLN A 80 9.581 -8.845 13.497 1.00 0.00 O ATOM 1235 NE2 GLN A 80 7.522 -9.357 14.127 1.00 0.00 N ATOM 0 H GLN A 80 6.887 -4.485 12.010 1.00 0.00 H new ATOM 0 HA GLN A 80 9.474 -5.748 12.475 1.00 0.00 H new ATOM 0 HB2 GLN A 80 7.632 -5.157 14.183 1.00 0.00 H new ATOM 0 HB3 GLN A 80 6.675 -6.429 13.452 1.00 0.00 H new ATOM 0 HG2 GLN A 80 9.302 -6.764 14.947 1.00 0.00 H new ATOM 0 HG3 GLN A 80 7.707 -7.220 15.512 1.00 0.00 H new ATOM 0 HE21 GLN A 80 6.661 -9.065 14.590 1.00 0.00 H new ATOM 0 HE22 GLN A 80 7.595 -10.293 13.729 1.00 0.00 H new ATOM 1244 N ALA A 81 6.901 -7.197 10.987 1.00 0.00 N ATOM 1245 CA ALA A 81 6.496 -8.341 10.197 1.00 0.00 C ATOM 1246 C ALA A 81 6.080 -7.933 8.808 1.00 0.00 C ATOM 1247 O ALA A 81 5.148 -7.154 8.619 1.00 0.00 O ATOM 1248 CB ALA A 81 5.389 -9.105 10.888 1.00 0.00 C ATOM 0 H ALA A 81 6.143 -6.558 11.227 1.00 0.00 H new ATOM 0 HA ALA A 81 7.359 -8.999 10.102 1.00 0.00 H new ATOM 0 HB1 ALA A 81 5.101 -9.960 10.277 1.00 0.00 H new ATOM 0 HB2 ALA A 81 5.740 -9.455 11.859 1.00 0.00 H new ATOM 0 HB3 ALA A 81 4.528 -8.451 11.027 1.00 0.00 H new ATOM 1254 N MET A 82 6.774 -8.462 7.852 1.00 0.00 N ATOM 1255 CA MET A 82 6.541 -8.172 6.459 1.00 0.00 C ATOM 1256 C MET A 82 5.684 -9.270 5.850 1.00 0.00 C ATOM 1257 O MET A 82 5.857 -10.440 6.186 1.00 0.00 O ATOM 1258 CB MET A 82 7.881 -8.122 5.753 1.00 0.00 C ATOM 1259 CG MET A 82 8.822 -7.065 6.304 1.00 0.00 C ATOM 1260 SD MET A 82 10.520 -7.296 5.761 1.00 0.00 S ATOM 1261 CE MET A 82 10.289 -7.389 4.006 1.00 0.00 C ATOM 0 H MET A 82 7.535 -9.122 8.013 1.00 0.00 H new ATOM 0 HA MET A 82 6.025 -7.218 6.352 1.00 0.00 H new ATOM 0 HB2 MET A 82 8.360 -9.098 5.831 1.00 0.00 H new ATOM 0 HB3 MET A 82 7.716 -7.932 4.692 1.00 0.00 H new ATOM 0 HG2 MET A 82 8.476 -6.079 5.993 1.00 0.00 H new ATOM 0 HG3 MET A 82 8.787 -7.086 7.393 1.00 0.00 H new ATOM 0 HE1 MET A 82 11.260 -7.389 3.511 1.00 0.00 H new ATOM 0 HE2 MET A 82 9.754 -8.306 3.757 1.00 0.00 H new ATOM 0 HE3 MET A 82 9.710 -6.529 3.669 1.00 0.00 H new ATOM 1271 N PRO A 83 4.755 -8.932 4.952 1.00 0.00 N ATOM 1272 CA PRO A 83 4.491 -7.559 4.526 1.00 0.00 C ATOM 1273 C PRO A 83 3.502 -6.850 5.453 1.00 0.00 C ATOM 1274 O PRO A 83 2.718 -7.484 6.144 1.00 0.00 O ATOM 1275 CB PRO A 83 3.866 -7.751 3.147 1.00 0.00 C ATOM 1276 CG PRO A 83 3.137 -9.047 3.243 1.00 0.00 C ATOM 1277 CD PRO A 83 3.878 -9.888 4.259 1.00 0.00 C ATOM 0 HA PRO A 83 5.389 -6.942 4.532 1.00 0.00 H new ATOM 0 HB2 PRO A 83 3.189 -6.933 2.901 1.00 0.00 H new ATOM 0 HB3 PRO A 83 4.627 -7.781 2.367 1.00 0.00 H new ATOM 0 HG2 PRO A 83 2.104 -8.888 3.552 1.00 0.00 H new ATOM 0 HG3 PRO A 83 3.107 -9.547 2.275 1.00 0.00 H new ATOM 0 HD2 PRO A 83 3.190 -10.372 4.953 1.00 0.00 H new ATOM 0 HD3 PRO A 83 4.453 -10.679 3.777 1.00 0.00 H new ATOM 1285 N THR A 84 3.569 -5.565 5.496 1.00 0.00 N ATOM 1286 CA THR A 84 2.634 -4.812 6.264 1.00 0.00 C ATOM 1287 C THR A 84 1.810 -3.969 5.317 1.00 0.00 C ATOM 1288 O THR A 84 2.366 -3.247 4.489 1.00 0.00 O ATOM 1289 CB THR A 84 3.340 -3.911 7.270 1.00 0.00 C ATOM 1290 OG1 THR A 84 4.221 -4.688 8.105 1.00 0.00 O ATOM 1291 CG2 THR A 84 2.344 -3.159 8.150 1.00 0.00 C ATOM 0 H THR A 84 4.267 -5.007 5.004 1.00 0.00 H new ATOM 0 HA THR A 84 1.998 -5.499 6.823 1.00 0.00 H new ATOM 0 HB THR A 84 3.917 -3.181 6.703 1.00 0.00 H new ATOM 0 HG1 THR A 84 4.079 -5.642 7.931 1.00 0.00 H new ATOM 0 HG21 THR A 84 2.885 -2.527 8.854 1.00 0.00 H new ATOM 0 HG22 THR A 84 1.702 -2.538 7.525 1.00 0.00 H new ATOM 0 HG23 THR A 84 1.732 -3.874 8.700 1.00 0.00 H new ATOM 1299 N PHE A 85 0.511 -4.072 5.409 1.00 0.00 N ATOM 1300 CA PHE A 85 -0.338 -3.323 4.572 1.00 0.00 C ATOM 1301 C PHE A 85 -0.908 -2.215 5.406 1.00 0.00 C ATOM 1302 O PHE A 85 -1.552 -2.462 6.423 1.00 0.00 O ATOM 1303 CB PHE A 85 -1.475 -4.209 4.070 1.00 0.00 C ATOM 1304 CG PHE A 85 -1.025 -5.504 3.460 1.00 0.00 C ATOM 1305 CD1 PHE A 85 -0.623 -5.570 2.137 1.00 0.00 C ATOM 1306 CD2 PHE A 85 -0.998 -6.661 4.222 1.00 0.00 C ATOM 1307 CE1 PHE A 85 -0.204 -6.766 1.591 1.00 0.00 C ATOM 1308 CE2 PHE A 85 -0.579 -7.852 3.685 1.00 0.00 C ATOM 1309 CZ PHE A 85 -0.182 -7.909 2.370 1.00 0.00 C ATOM 0 H PHE A 85 0.029 -4.681 6.070 1.00 0.00 H new ATOM 0 HA PHE A 85 0.208 -2.933 3.713 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -2.145 -4.426 4.902 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -2.053 -3.654 3.331 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -0.637 -4.679 1.527 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -1.312 -6.625 5.255 1.00 0.00 H new ATOM 0 HE1 PHE A 85 0.106 -6.810 0.557 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -0.561 -8.743 4.294 1.00 0.00 H new ATOM 0 HZ PHE A 85 0.147 -8.846 1.945 1.00 0.00 H new ATOM 1319 N MET A 86 -0.665 -1.025 5.012 1.00 0.00 N ATOM 1320 CA MET A 86 -1.144 0.111 5.735 1.00 0.00 C ATOM 1321 C MET A 86 -2.174 0.822 4.911 1.00 0.00 C ATOM 1322 O MET A 86 -1.906 1.253 3.795 1.00 0.00 O ATOM 1323 CB MET A 86 0.033 1.010 6.062 1.00 0.00 C ATOM 1324 CG MET A 86 -0.282 2.319 6.754 1.00 0.00 C ATOM 1325 SD MET A 86 1.220 3.245 7.071 1.00 0.00 S ATOM 1326 CE MET A 86 0.558 4.682 7.859 1.00 0.00 C ATOM 0 H MET A 86 -0.126 -0.799 4.176 1.00 0.00 H new ATOM 0 HA MET A 86 -1.616 -0.192 6.670 1.00 0.00 H new ATOM 0 HB2 MET A 86 0.724 0.450 6.692 1.00 0.00 H new ATOM 0 HB3 MET A 86 0.558 1.234 5.134 1.00 0.00 H new ATOM 0 HG2 MET A 86 -0.956 2.911 6.135 1.00 0.00 H new ATOM 0 HG3 MET A 86 -0.800 2.124 7.693 1.00 0.00 H new ATOM 0 HE1 MET A 86 1.157 5.552 7.592 1.00 0.00 H new ATOM 0 HE2 MET A 86 -0.470 4.835 7.532 1.00 0.00 H new ATOM 0 HE3 MET A 86 0.578 4.546 8.940 1.00 0.00 H new ATOM 1336 N PHE A 87 -3.331 0.934 5.458 1.00 0.00 N ATOM 1337 CA PHE A 87 -4.438 1.518 4.818 1.00 0.00 C ATOM 1338 C PHE A 87 -4.716 2.887 5.377 1.00 0.00 C ATOM 1339 O PHE A 87 -5.004 3.049 6.580 1.00 0.00 O ATOM 1340 CB PHE A 87 -5.646 0.627 5.017 1.00 0.00 C ATOM 1341 CG PHE A 87 -5.595 -0.686 4.284 1.00 0.00 C ATOM 1342 CD1 PHE A 87 -4.954 -1.786 4.834 1.00 0.00 C ATOM 1343 CD2 PHE A 87 -6.193 -0.818 3.043 1.00 0.00 C ATOM 1344 CE1 PHE A 87 -4.913 -2.989 4.157 1.00 0.00 C ATOM 1345 CE2 PHE A 87 -6.156 -2.019 2.361 1.00 0.00 C ATOM 1346 CZ PHE A 87 -5.513 -3.107 2.919 1.00 0.00 C ATOM 0 H PHE A 87 -3.533 0.606 6.402 1.00 0.00 H new ATOM 0 HA PHE A 87 -4.222 1.622 3.755 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -5.760 0.427 6.082 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -6.536 1.170 4.698 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -4.482 -1.701 5.802 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -6.696 0.030 2.601 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -4.411 -3.838 4.596 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -6.629 -2.107 1.394 1.00 0.00 H new ATOM 0 HZ PHE A 87 -5.480 -4.047 2.388 1.00 0.00 H new ATOM 1356 N LEU A 88 -4.622 3.865 4.541 1.00 0.00 N ATOM 1357 CA LEU A 88 -4.915 5.201 4.936 1.00 0.00 C ATOM 1358 C LEU A 88 -6.039 5.701 4.044 1.00 0.00 C ATOM 1359 O LEU A 88 -6.328 5.106 3.014 1.00 0.00 O ATOM 1360 CB LEU A 88 -3.719 6.180 4.757 1.00 0.00 C ATOM 1361 CG LEU A 88 -2.350 5.847 5.377 1.00 0.00 C ATOM 1362 CD1 LEU A 88 -1.645 4.743 4.610 1.00 0.00 C ATOM 1363 CD2 LEU A 88 -1.482 7.098 5.438 1.00 0.00 C ATOM 0 H LEU A 88 -4.340 3.761 3.566 1.00 0.00 H new ATOM 0 HA LEU A 88 -5.169 5.180 5.996 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -3.566 6.312 3.686 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -4.029 7.146 5.156 1.00 0.00 H new ATOM 0 HG LEU A 88 -2.519 5.485 6.391 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.682 4.534 5.076 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.258 3.842 4.624 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.488 5.059 3.579 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.516 6.850 5.878 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -1.332 7.486 4.431 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -1.976 7.854 6.049 1.00 0.00 H new ATOM 1375 N LYS A 89 -6.654 6.766 4.419 1.00 0.00 N ATOM 1376 CA LYS A 89 -7.665 7.365 3.609 1.00 0.00 C ATOM 1377 C LYS A 89 -7.434 8.836 3.529 1.00 0.00 C ATOM 1378 O LYS A 89 -7.402 9.521 4.550 1.00 0.00 O ATOM 1379 CB LYS A 89 -9.050 7.077 4.146 1.00 0.00 C ATOM 1380 CG LYS A 89 -10.176 7.681 3.328 1.00 0.00 C ATOM 1381 CD LYS A 89 -11.522 7.307 3.897 1.00 0.00 C ATOM 1382 CE LYS A 89 -12.654 7.874 3.069 1.00 0.00 C ATOM 1383 NZ LYS A 89 -13.971 7.452 3.592 1.00 0.00 N ATOM 0 H LYS A 89 -6.473 7.251 5.298 1.00 0.00 H new ATOM 0 HA LYS A 89 -7.605 6.932 2.610 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -9.191 5.997 4.194 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -9.116 7.453 5.167 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -10.074 8.766 3.309 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -10.105 7.336 2.296 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -11.610 6.221 3.940 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -11.600 7.674 4.920 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -12.594 8.962 3.066 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -12.550 7.546 2.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -14.725 7.858 3.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -14.036 6.414 3.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -14.079 7.787 4.571 1.00 0.00 H new ATOM 1397 N GLU A 90 -7.203 9.301 2.311 1.00 0.00 N ATOM 1398 CA GLU A 90 -7.029 10.708 1.994 1.00 0.00 C ATOM 1399 C GLU A 90 -5.820 11.301 2.747 1.00 0.00 C ATOM 1400 O GLU A 90 -5.762 12.500 3.025 1.00 0.00 O ATOM 1401 CB GLU A 90 -8.313 11.470 2.307 1.00 0.00 C ATOM 1402 CG GLU A 90 -9.535 10.928 1.573 1.00 0.00 C ATOM 1403 CD GLU A 90 -10.806 11.644 1.932 1.00 0.00 C ATOM 1404 OE1 GLU A 90 -11.280 11.496 3.068 1.00 0.00 O ATOM 1405 OE2 GLU A 90 -11.352 12.375 1.085 1.00 0.00 O ATOM 0 H GLU A 90 -7.130 8.693 1.495 1.00 0.00 H new ATOM 0 HA GLU A 90 -6.821 10.807 0.929 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -8.497 11.431 3.381 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -8.177 12.519 2.045 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -9.371 11.009 0.498 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -9.646 9.868 1.800 1.00 0.00 H new ATOM 1412 N GLY A 91 -4.838 10.447 3.012 1.00 0.00 N ATOM 1413 CA GLY A 91 -3.640 10.848 3.726 1.00 0.00 C ATOM 1414 C GLY A 91 -3.722 10.619 5.233 1.00 0.00 C ATOM 1415 O GLY A 91 -2.719 10.760 5.936 1.00 0.00 O ATOM 0 H GLY A 91 -4.853 9.464 2.739 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -2.788 10.296 3.329 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -3.451 11.905 3.537 1.00 0.00 H new ATOM 1419 N LYS A 92 -4.889 10.254 5.728 1.00 0.00 N ATOM 1420 CA LYS A 92 -5.044 9.969 7.145 1.00 0.00 C ATOM 1421 C LYS A 92 -4.970 8.470 7.388 1.00 0.00 C ATOM 1422 O LYS A 92 -5.633 7.703 6.705 1.00 0.00 O ATOM 1423 CB LYS A 92 -6.374 10.507 7.683 1.00 0.00 C ATOM 1424 CG LYS A 92 -6.591 10.192 9.156 1.00 0.00 C ATOM 1425 CD LYS A 92 -7.916 10.710 9.669 1.00 0.00 C ATOM 1426 CE LYS A 92 -8.098 10.360 11.139 1.00 0.00 C ATOM 1427 NZ LYS A 92 -8.104 8.890 11.378 1.00 0.00 N ATOM 0 H LYS A 92 -5.740 10.148 5.176 1.00 0.00 H new ATOM 0 HA LYS A 92 -4.232 10.469 7.673 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -6.407 11.587 7.539 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -7.193 10.083 7.102 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -6.544 9.113 9.304 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -5.782 10.630 9.741 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -7.964 11.791 9.539 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -8.730 10.282 9.085 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -7.296 10.816 11.720 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -9.034 10.787 11.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -8.462 8.695 12.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -8.718 8.427 10.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -7.136 8.520 11.289 1.00 0.00 H new ATOM 1441 N ILE A 93 -4.175 8.066 8.360 1.00 0.00 N ATOM 1442 CA ILE A 93 -4.023 6.654 8.713 1.00 0.00 C ATOM 1443 C ILE A 93 -5.337 6.109 9.254 1.00 0.00 C ATOM 1444 O ILE A 93 -5.944 6.717 10.158 1.00 0.00 O ATOM 1445 CB ILE A 93 -2.931 6.468 9.805 1.00 0.00 C ATOM 1446 CG1 ILE A 93 -1.590 7.006 9.319 1.00 0.00 C ATOM 1447 CG2 ILE A 93 -2.798 4.990 10.198 1.00 0.00 C ATOM 1448 CD1 ILE A 93 -0.517 7.039 10.387 1.00 0.00 C ATOM 0 H ILE A 93 -3.615 8.700 8.930 1.00 0.00 H new ATOM 0 HA ILE A 93 -3.730 6.116 7.811 1.00 0.00 H new ATOM 0 HB ILE A 93 -3.235 7.033 10.686 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -1.243 6.391 8.488 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -1.734 8.014 8.931 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -2.029 4.885 10.963 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -3.750 4.630 10.589 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -2.521 4.404 9.322 1.00 0.00 H new ATOM 0 HD11 ILE A 93 0.406 7.434 9.963 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -0.841 7.678 11.209 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -0.343 6.029 10.759 1.00 0.00 H new ATOM 1460 N LEU A 94 -5.789 5.003 8.699 1.00 0.00 N ATOM 1461 CA LEU A 94 -6.961 4.365 9.191 1.00 0.00 C ATOM 1462 C LEU A 94 -6.618 3.093 9.925 1.00 0.00 C ATOM 1463 O LEU A 94 -6.824 3.002 11.136 1.00 0.00 O ATOM 1464 CB LEU A 94 -7.973 4.081 8.095 1.00 0.00 C ATOM 1465 CG LEU A 94 -8.631 5.284 7.422 1.00 0.00 C ATOM 1466 CD1 LEU A 94 -9.731 4.817 6.498 1.00 0.00 C ATOM 1467 CD2 LEU A 94 -9.179 6.267 8.449 1.00 0.00 C ATOM 0 H LEU A 94 -5.350 4.537 7.905 1.00 0.00 H new ATOM 0 HA LEU A 94 -7.423 5.064 9.888 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -7.478 3.491 7.323 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -8.761 3.457 8.517 1.00 0.00 H new ATOM 0 HG LEU A 94 -7.871 5.806 6.840 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -10.196 5.680 6.021 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -9.311 4.163 5.734 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -10.480 4.271 7.071 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -9.640 7.111 7.935 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -9.924 5.768 9.069 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -8.365 6.627 9.079 1.00 0.00 H new ATOM 1479 N ASP A 95 -6.067 2.118 9.210 1.00 0.00 N ATOM 1480 CA ASP A 95 -5.763 0.829 9.803 1.00 0.00 C ATOM 1481 C ASP A 95 -4.686 0.087 9.064 1.00 0.00 C ATOM 1482 O ASP A 95 -4.399 0.370 7.915 1.00 0.00 O ATOM 1483 CB ASP A 95 -6.985 -0.052 9.967 1.00 0.00 C ATOM 1484 CG ASP A 95 -7.670 -0.478 8.705 1.00 0.00 C ATOM 1485 OD1 ASP A 95 -8.146 0.384 7.940 1.00 0.00 O ATOM 1486 OD2 ASP A 95 -7.834 -1.686 8.523 1.00 0.00 O ATOM 0 H ASP A 95 -5.824 2.199 8.223 1.00 0.00 H new ATOM 0 HA ASP A 95 -5.387 1.064 10.799 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -6.691 -0.947 10.515 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -7.708 0.478 10.587 1.00 0.00 H new ATOM 1491 N LYS A 96 -4.066 -0.830 9.751 1.00 0.00 N ATOM 1492 CA LYS A 96 -2.972 -1.609 9.201 1.00 0.00 C ATOM 1493 C LYS A 96 -3.212 -3.109 9.383 1.00 0.00 C ATOM 1494 O LYS A 96 -3.854 -3.540 10.360 1.00 0.00 O ATOM 1495 CB LYS A 96 -1.669 -1.227 9.900 1.00 0.00 C ATOM 1496 CG LYS A 96 -1.280 0.236 9.755 1.00 0.00 C ATOM 1497 CD LYS A 96 -0.049 0.616 10.593 1.00 0.00 C ATOM 1498 CE LYS A 96 -0.329 0.725 12.118 1.00 0.00 C ATOM 1499 NZ LYS A 96 -0.746 -0.535 12.779 1.00 0.00 N ATOM 0 H LYS A 96 -4.300 -1.066 10.715 1.00 0.00 H new ATOM 0 HA LYS A 96 -2.908 -1.393 8.135 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -1.758 -1.463 10.961 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -0.864 -1.845 9.503 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -1.078 0.450 8.705 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -2.122 0.861 10.052 1.00 0.00 H new ATOM 0 HD2 LYS A 96 0.732 -0.127 10.430 1.00 0.00 H new ATOM 0 HD3 LYS A 96 0.339 1.570 10.237 1.00 0.00 H new ATOM 0 HE2 LYS A 96 0.571 1.093 12.610 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -1.107 1.473 12.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -0.506 -0.493 13.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -1.773 -0.660 12.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -0.252 -1.338 12.339 1.00 0.00 H new ATOM 1513 N VAL A 97 -2.706 -3.878 8.449 1.00 0.00 N ATOM 1514 CA VAL A 97 -2.740 -5.332 8.487 1.00 0.00 C ATOM 1515 C VAL A 97 -1.302 -5.814 8.490 1.00 0.00 C ATOM 1516 O VAL A 97 -0.521 -5.455 7.598 1.00 0.00 O ATOM 1517 CB VAL A 97 -3.467 -5.927 7.248 1.00 0.00 C ATOM 1518 CG1 VAL A 97 -3.520 -7.451 7.317 1.00 0.00 C ATOM 1519 CG2 VAL A 97 -4.862 -5.358 7.122 1.00 0.00 C ATOM 0 H VAL A 97 -2.246 -3.507 7.618 1.00 0.00 H new ATOM 0 HA VAL A 97 -3.285 -5.655 9.374 1.00 0.00 H new ATOM 0 HB VAL A 97 -2.895 -5.648 6.363 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -4.034 -7.837 6.437 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -2.506 -7.849 7.349 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -4.058 -7.756 8.215 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -5.353 -5.788 6.249 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -5.436 -5.600 8.017 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -4.805 -4.275 7.010 1.00 0.00 H new ATOM 1529 N VAL A 98 -0.942 -6.586 9.470 1.00 0.00 N ATOM 1530 CA VAL A 98 0.414 -7.038 9.609 1.00 0.00 C ATOM 1531 C VAL A 98 0.570 -8.500 9.176 1.00 0.00 C ATOM 1532 O VAL A 98 -0.151 -9.390 9.645 1.00 0.00 O ATOM 1533 CB VAL A 98 0.926 -6.819 11.059 1.00 0.00 C ATOM 1534 CG1 VAL A 98 0.054 -7.531 12.076 1.00 0.00 C ATOM 1535 CG2 VAL A 98 2.374 -7.230 11.205 1.00 0.00 C ATOM 0 H VAL A 98 -1.576 -6.921 10.195 1.00 0.00 H new ATOM 0 HA VAL A 98 1.032 -6.438 8.941 1.00 0.00 H new ATOM 0 HB VAL A 98 0.862 -5.750 11.261 1.00 0.00 H new ATOM 0 HG11 VAL A 98 0.445 -7.354 13.078 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -0.965 -7.150 12.011 1.00 0.00 H new ATOM 0 HG13 VAL A 98 0.055 -8.601 11.870 1.00 0.00 H new ATOM 0 HG21 VAL A 98 2.698 -7.063 12.232 1.00 0.00 H new ATOM 0 HG22 VAL A 98 2.479 -8.287 10.959 1.00 0.00 H new ATOM 0 HG23 VAL A 98 2.990 -6.637 10.529 1.00 0.00 H new ATOM 1545 N GLY A 99 1.485 -8.730 8.267 1.00 0.00 N ATOM 1546 CA GLY A 99 1.724 -10.050 7.775 1.00 0.00 C ATOM 1547 C GLY A 99 0.835 -10.340 6.604 1.00 0.00 C ATOM 1548 O GLY A 99 -0.193 -9.674 6.419 1.00 0.00 O ATOM 0 H GLY A 99 2.077 -8.009 7.855 1.00 0.00 H new ATOM 0 HA2 GLY A 99 2.769 -10.152 7.481 1.00 0.00 H new ATOM 0 HA3 GLY A 99 1.543 -10.778 8.566 1.00 0.00 H new ATOM 1552 N ALA A 100 1.196 -11.306 5.799 1.00 0.00 N ATOM 1553 CA ALA A 100 0.367 -11.636 4.683 1.00 0.00 C ATOM 1554 C ALA A 100 -0.787 -12.456 5.175 1.00 0.00 C ATOM 1555 O ALA A 100 -0.623 -13.617 5.587 1.00 0.00 O ATOM 1556 CB ALA A 100 1.150 -12.385 3.621 1.00 0.00 C ATOM 0 H ALA A 100 2.043 -11.865 5.897 1.00 0.00 H new ATOM 0 HA ALA A 100 -0.002 -10.721 4.220 1.00 0.00 H new ATOM 0 HB1 ALA A 100 0.493 -12.623 2.784 1.00 0.00 H new ATOM 0 HB2 ALA A 100 1.974 -11.763 3.270 1.00 0.00 H new ATOM 0 HB3 ALA A 100 1.546 -13.308 4.044 1.00 0.00 H new ATOM 1562 N LYS A 101 -1.938 -11.861 5.158 1.00 0.00 N ATOM 1563 CA LYS A 101 -3.126 -12.492 5.586 1.00 0.00 C ATOM 1564 C LYS A 101 -4.059 -12.487 4.420 1.00 0.00 C ATOM 1565 O LYS A 101 -4.525 -11.428 4.013 1.00 0.00 O ATOM 1566 CB LYS A 101 -3.718 -11.684 6.732 1.00 0.00 C ATOM 1567 CG LYS A 101 -2.757 -11.464 7.891 1.00 0.00 C ATOM 1568 CD LYS A 101 -2.332 -12.731 8.538 1.00 0.00 C ATOM 1569 CE LYS A 101 -1.216 -12.498 9.552 1.00 0.00 C ATOM 1570 NZ LYS A 101 -1.581 -11.514 10.601 1.00 0.00 N ATOM 0 H LYS A 101 -2.071 -10.902 4.837 1.00 0.00 H new ATOM 0 HA LYS A 101 -2.947 -13.511 5.930 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -4.041 -10.715 6.352 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -4.607 -12.194 7.102 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -1.876 -10.933 7.530 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -3.233 -10.824 8.634 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -3.186 -13.190 9.036 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -1.992 -13.433 7.776 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -0.959 -13.446 10.025 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -0.325 -12.150 9.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -1.294 -11.877 11.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -1.096 -10.613 10.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -2.610 -11.362 10.591 1.00 0.00 H new ATOM 1584 N LYS A 102 -4.307 -13.638 3.855 1.00 0.00 N ATOM 1585 CA LYS A 102 -5.106 -13.723 2.677 1.00 0.00 C ATOM 1586 C LYS A 102 -6.553 -13.405 2.965 1.00 0.00 C ATOM 1587 O LYS A 102 -7.127 -12.551 2.337 1.00 0.00 O ATOM 1588 CB LYS A 102 -4.965 -15.101 2.052 1.00 0.00 C ATOM 1589 CG LYS A 102 -5.758 -15.297 0.779 1.00 0.00 C ATOM 1590 CD LYS A 102 -5.544 -16.690 0.197 1.00 0.00 C ATOM 1591 CE LYS A 102 -6.000 -17.781 1.162 1.00 0.00 C ATOM 1592 NZ LYS A 102 -5.688 -19.130 0.655 1.00 0.00 N ATOM 0 H LYS A 102 -3.961 -14.533 4.200 1.00 0.00 H new ATOM 0 HA LYS A 102 -4.748 -12.977 1.967 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -3.911 -15.284 1.840 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -5.279 -15.850 2.779 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -6.818 -15.145 0.982 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -5.463 -14.546 0.046 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -6.092 -16.781 -0.741 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -4.488 -16.829 -0.037 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -5.517 -17.636 2.128 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -7.074 -17.694 1.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -6.014 -19.842 1.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -6.169 -19.279 -0.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -4.661 -19.222 0.522 1.00 0.00 H new ATOM 1606 N ASP A 103 -7.110 -14.055 3.948 1.00 0.00 N ATOM 1607 CA ASP A 103 -8.527 -13.900 4.254 1.00 0.00 C ATOM 1608 C ASP A 103 -8.816 -12.555 4.878 1.00 0.00 C ATOM 1609 O ASP A 103 -9.791 -11.879 4.511 1.00 0.00 O ATOM 1610 CB ASP A 103 -9.022 -15.031 5.158 1.00 0.00 C ATOM 1611 CG ASP A 103 -8.958 -16.394 4.501 1.00 0.00 C ATOM 1612 OD1 ASP A 103 -7.860 -16.983 4.417 1.00 0.00 O ATOM 1613 OD2 ASP A 103 -10.011 -16.906 4.063 1.00 0.00 O ATOM 0 H ASP A 103 -6.613 -14.702 4.560 1.00 0.00 H new ATOM 0 HA ASP A 103 -9.070 -13.953 3.311 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -8.425 -15.046 6.070 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -10.051 -14.826 5.455 1.00 0.00 H new ATOM 1618 N GLU A 104 -7.958 -12.151 5.792 1.00 0.00 N ATOM 1619 CA GLU A 104 -8.110 -10.903 6.508 1.00 0.00 C ATOM 1620 C GLU A 104 -7.936 -9.685 5.604 1.00 0.00 C ATOM 1621 O GLU A 104 -8.531 -8.625 5.861 1.00 0.00 O ATOM 1622 CB GLU A 104 -7.199 -10.851 7.744 1.00 0.00 C ATOM 1623 CG GLU A 104 -7.282 -9.549 8.523 1.00 0.00 C ATOM 1624 CD GLU A 104 -6.586 -9.612 9.851 1.00 0.00 C ATOM 1625 OE1 GLU A 104 -5.365 -9.377 9.928 1.00 0.00 O ATOM 1626 OE2 GLU A 104 -7.265 -9.906 10.857 1.00 0.00 O ATOM 0 H GLU A 104 -7.130 -12.684 6.060 1.00 0.00 H new ATOM 0 HA GLU A 104 -9.139 -10.864 6.866 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -7.458 -11.676 8.408 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -6.168 -11.008 7.428 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -6.844 -8.748 7.928 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -8.330 -9.293 8.680 1.00 0.00 H new ATOM 1633 N LEU A 105 -7.141 -9.821 4.548 1.00 0.00 N ATOM 1634 CA LEU A 105 -6.920 -8.714 3.629 1.00 0.00 C ATOM 1635 C LEU A 105 -8.240 -8.263 3.045 1.00 0.00 C ATOM 1636 O LEU A 105 -8.601 -7.093 3.150 1.00 0.00 O ATOM 1637 CB LEU A 105 -5.992 -9.118 2.504 1.00 0.00 C ATOM 1638 CG LEU A 105 -5.556 -7.983 1.562 1.00 0.00 C ATOM 1639 CD1 LEU A 105 -4.818 -6.889 2.328 1.00 0.00 C ATOM 1640 CD2 LEU A 105 -4.686 -8.519 0.450 1.00 0.00 C ATOM 0 H LEU A 105 -6.644 -10.679 4.310 1.00 0.00 H new ATOM 0 HA LEU A 105 -6.460 -7.898 4.186 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -5.099 -9.569 2.938 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -6.483 -9.890 1.911 1.00 0.00 H new ATOM 0 HG LEU A 105 -6.454 -7.548 1.124 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -4.521 -6.099 1.638 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -5.474 -6.475 3.093 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -3.931 -7.311 2.800 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -4.388 -7.701 -0.205 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -3.797 -8.985 0.876 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -5.244 -9.259 -0.124 1.00 0.00 H new ATOM 1652 N GLN A 106 -8.975 -9.205 2.472 1.00 0.00 N ATOM 1653 CA GLN A 106 -10.305 -8.906 1.904 1.00 0.00 C ATOM 1654 C GLN A 106 -11.244 -8.326 2.945 1.00 0.00 C ATOM 1655 O GLN A 106 -12.040 -7.441 2.637 1.00 0.00 O ATOM 1656 CB GLN A 106 -10.983 -10.108 1.199 1.00 0.00 C ATOM 1657 CG GLN A 106 -10.314 -10.595 -0.086 1.00 0.00 C ATOM 1658 CD GLN A 106 -8.983 -11.245 0.148 1.00 0.00 C ATOM 1659 OE1 GLN A 106 -7.952 -10.592 0.148 1.00 0.00 O ATOM 1660 NE2 GLN A 106 -8.993 -12.530 0.335 1.00 0.00 N ATOM 0 H GLN A 106 -8.686 -10.179 2.383 1.00 0.00 H new ATOM 0 HA GLN A 106 -10.110 -8.160 1.133 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -11.024 -10.940 1.902 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -12.013 -9.835 0.968 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -10.974 -11.304 -0.585 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -10.184 -9.750 -0.763 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -9.877 -13.040 0.328 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -8.117 -13.030 0.489 1.00 0.00 H new ATOM 1669 N SER A 107 -11.131 -8.796 4.174 1.00 0.00 N ATOM 1670 CA SER A 107 -11.967 -8.298 5.254 1.00 0.00 C ATOM 1671 C SER A 107 -11.641 -6.824 5.542 1.00 0.00 C ATOM 1672 O SER A 107 -12.533 -6.022 5.836 1.00 0.00 O ATOM 1673 CB SER A 107 -11.781 -9.158 6.504 1.00 0.00 C ATOM 1674 OG SER A 107 -12.038 -10.529 6.219 1.00 0.00 O ATOM 0 H SER A 107 -10.469 -9.521 4.450 1.00 0.00 H new ATOM 0 HA SER A 107 -13.013 -8.360 4.952 1.00 0.00 H new ATOM 0 HB2 SER A 107 -10.764 -9.045 6.880 1.00 0.00 H new ATOM 0 HB3 SER A 107 -12.452 -8.814 7.291 1.00 0.00 H new ATOM 0 HG SER A 107 -11.296 -10.899 5.696 1.00 0.00 H new ATOM 1680 N THR A 108 -10.374 -6.472 5.417 1.00 0.00 N ATOM 1681 CA THR A 108 -9.935 -5.112 5.618 1.00 0.00 C ATOM 1682 C THR A 108 -10.329 -4.258 4.408 1.00 0.00 C ATOM 1683 O THR A 108 -10.630 -3.074 4.533 1.00 0.00 O ATOM 1684 CB THR A 108 -8.414 -5.060 5.842 1.00 0.00 C ATOM 1685 OG1 THR A 108 -8.086 -5.893 6.975 1.00 0.00 O ATOM 1686 CG2 THR A 108 -7.949 -3.624 6.118 1.00 0.00 C ATOM 0 H THR A 108 -9.626 -7.122 5.174 1.00 0.00 H new ATOM 0 HA THR A 108 -10.421 -4.713 6.508 1.00 0.00 H new ATOM 0 HB THR A 108 -7.911 -5.417 4.943 1.00 0.00 H new ATOM 0 HG1 THR A 108 -8.197 -6.836 6.731 1.00 0.00 H new ATOM 0 HG21 THR A 108 -6.870 -3.614 6.273 1.00 0.00 H new ATOM 0 HG22 THR A 108 -8.199 -2.991 5.267 1.00 0.00 H new ATOM 0 HG23 THR A 108 -8.447 -3.245 7.011 1.00 0.00 H new ATOM 1694 N ILE A 109 -10.353 -4.870 3.249 1.00 0.00 N ATOM 1695 CA ILE A 109 -10.784 -4.187 2.054 1.00 0.00 C ATOM 1696 C ILE A 109 -12.279 -3.856 2.160 1.00 0.00 C ATOM 1697 O ILE A 109 -12.681 -2.718 1.954 1.00 0.00 O ATOM 1698 CB ILE A 109 -10.494 -5.024 0.782 1.00 0.00 C ATOM 1699 CG1 ILE A 109 -8.988 -5.297 0.675 1.00 0.00 C ATOM 1700 CG2 ILE A 109 -10.982 -4.291 -0.462 1.00 0.00 C ATOM 1701 CD1 ILE A 109 -8.596 -6.187 -0.479 1.00 0.00 C ATOM 0 H ILE A 109 -10.078 -5.842 3.108 1.00 0.00 H new ATOM 0 HA ILE A 109 -10.217 -3.260 1.965 1.00 0.00 H new ATOM 0 HB ILE A 109 -11.027 -5.972 0.855 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -8.465 -4.346 0.578 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -8.647 -5.755 1.603 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -10.770 -4.893 -1.346 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -12.056 -4.122 -0.387 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -10.469 -3.333 -0.544 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -7.515 -6.327 -0.479 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -9.087 -7.154 -0.376 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -8.902 -5.723 -1.417 1.00 0.00 H new ATOM 1713 N ALA A 110 -13.081 -4.840 2.557 1.00 0.00 N ATOM 1714 CA ALA A 110 -14.532 -4.655 2.724 1.00 0.00 C ATOM 1715 C ALA A 110 -14.823 -3.642 3.833 1.00 0.00 C ATOM 1716 O ALA A 110 -15.820 -2.934 3.808 1.00 0.00 O ATOM 1717 CB ALA A 110 -15.200 -5.983 3.021 1.00 0.00 C ATOM 0 H ALA A 110 -12.754 -5.782 2.772 1.00 0.00 H new ATOM 0 HA ALA A 110 -14.941 -4.263 1.793 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -16.273 -5.832 3.142 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -15.022 -6.673 2.196 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -14.787 -6.401 3.939 1.00 0.00 H new ATOM 1723 N LYS A 111 -13.938 -3.609 4.802 1.00 0.00 N ATOM 1724 CA LYS A 111 -13.972 -2.682 5.928 1.00 0.00 C ATOM 1725 C LYS A 111 -13.936 -1.239 5.428 1.00 0.00 C ATOM 1726 O LYS A 111 -14.486 -0.326 6.050 1.00 0.00 O ATOM 1727 CB LYS A 111 -12.734 -2.932 6.711 1.00 0.00 C ATOM 1728 CG LYS A 111 -12.598 -2.228 8.036 1.00 0.00 C ATOM 1729 CD LYS A 111 -11.246 -2.563 8.628 1.00 0.00 C ATOM 1730 CE LYS A 111 -11.020 -1.901 9.956 1.00 0.00 C ATOM 1731 NZ LYS A 111 -9.680 -2.218 10.481 1.00 0.00 N ATOM 0 H LYS A 111 -13.143 -4.247 4.836 1.00 0.00 H new ATOM 0 HA LYS A 111 -14.878 -2.827 6.517 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -12.660 -4.005 6.890 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -11.882 -2.652 6.092 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -12.696 -1.151 7.903 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -13.394 -2.539 8.712 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -11.162 -3.643 8.745 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -10.463 -2.256 7.935 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -11.128 -0.821 9.852 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -11.780 -2.230 10.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -9.348 -1.435 11.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -9.726 -3.090 11.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -9.020 -2.353 9.689 1.00 0.00 H new ATOM 1745 N HIS A 112 -13.249 -1.054 4.326 1.00 0.00 N ATOM 1746 CA HIS A 112 -13.110 0.235 3.687 1.00 0.00 C ATOM 1747 C HIS A 112 -14.163 0.469 2.597 1.00 0.00 C ATOM 1748 O HIS A 112 -14.741 1.548 2.508 1.00 0.00 O ATOM 1749 CB HIS A 112 -11.714 0.379 3.077 1.00 0.00 C ATOM 1750 CG HIS A 112 -10.588 0.602 4.050 1.00 0.00 C ATOM 1751 ND1 HIS A 112 -9.953 1.807 4.184 1.00 0.00 N ATOM 1752 CD2 HIS A 112 -9.953 -0.237 4.894 1.00 0.00 C ATOM 1753 CE1 HIS A 112 -8.985 1.700 5.055 1.00 0.00 C ATOM 1754 NE2 HIS A 112 -8.962 0.476 5.501 1.00 0.00 N ATOM 0 H HIS A 112 -12.762 -1.807 3.839 1.00 0.00 H new ATOM 0 HA HIS A 112 -13.261 0.985 4.463 1.00 0.00 H new ATOM 0 HB2 HIS A 112 -11.497 -0.520 2.501 1.00 0.00 H new ATOM 0 HB3 HIS A 112 -11.731 1.212 2.374 1.00 0.00 H new ATOM 0 HD2 HIS A 112 -10.186 -1.279 5.058 1.00 0.00 H new ATOM 0 HE1 HIS A 112 -8.316 2.493 5.355 1.00 0.00 H new ATOM 0 HE2 HIS A 112 -8.308 0.110 6.193 1.00 0.00 H new ATOM 1763 N LEU A 113 -14.410 -0.535 1.785 1.00 0.00 N ATOM 1764 CA LEU A 113 -15.268 -0.420 0.657 1.00 0.00 C ATOM 1765 C LEU A 113 -16.745 -0.517 0.988 1.00 0.00 C ATOM 1766 O LEU A 113 -17.153 -1.231 1.905 1.00 0.00 O ATOM 1767 CB LEU A 113 -14.875 -1.454 -0.374 1.00 0.00 C ATOM 1768 CG LEU A 113 -13.709 -1.114 -1.325 1.00 0.00 C ATOM 1769 CD1 LEU A 113 -14.053 0.085 -2.187 1.00 0.00 C ATOM 1770 CD2 LEU A 113 -12.406 -0.864 -0.576 1.00 0.00 C ATOM 0 H LEU A 113 -14.007 -1.464 1.904 1.00 0.00 H new ATOM 0 HA LEU A 113 -15.134 0.585 0.257 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -14.620 -2.373 0.154 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -15.753 -1.670 -0.984 1.00 0.00 H new ATOM 0 HG LEU A 113 -13.558 -1.984 -1.964 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -13.217 0.308 -2.850 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -14.939 -0.137 -2.782 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -14.250 0.947 -1.549 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -11.616 -0.629 -1.289 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -12.536 -0.028 0.111 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -12.133 -1.757 -0.013 1.00 0.00 H new