USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 732 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: B 62 LYS NZ :NH3+ 152:sc= 0.766 (180deg=-0.165) USER MOD Set 1.2: B 65 THR OG1 : rot 141:sc= -0.0152 USER MOD Set 2.1: B 42 ASN : amide:sc= 0.888 K(o=1.7,f=0.035) USER MOD Set 2.2: B 74 ASN : amide:sc= 0.774 K(o=1.7,f=0.035) USER MOD Set 3.1: B 30 SER OG : rot -24:sc= 0.792 USER MOD Set 3.2: B 37 LYS NZ :NH3+ -154:sc= 1.2 (180deg=-0.0133) USER MOD Set 4.1: B 28 SER OG : rot -44:sc= 0.306! USER MOD Set 4.2: B 39 THR OG1 : rot 42:sc= 1.13 USER MOD Set 5.1: B 11 ASN : amide:sc= -1.83! C(o=-2.3!,f=-4.5!) USER MOD Set 5.2: B 15 SER OG : rot 180:sc= -0.44 USER MOD Single : B 1 ASP N :NH3+ -179:sc= 0 (180deg=-0.000574) USER MOD Single : B 2 ASN : amide:sc= 1.19 K(o=1.2,f=-2.5!) USER MOD Single : B 3 GLN : amide:sc= -1.05 K(o=-1.1,f=0) USER MOD Single : B 4 LYS NZ :NH3+ -169:sc= -0.0498 (180deg=-0.226) USER MOD Single : B 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 10 MET CE :methyl -177:sc= 0 (180deg=-0.00478) USER MOD Single : B 12 SER OG : rot -100:sc= -1.18 USER MOD Single : B 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 17 ASN : amide:sc= -1.02 K(o=-1,f=0) USER MOD Single : B 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 21 ASN : amide:sc= -0.168 K(o=-0.17,f=-0.84) USER MOD Single : B 22 LYS NZ :NH3+ 168:sc=-0.00457 (180deg=-0.156) USER MOD Single : B 24 LYS NZ :NH3+ -152:sc= 1.16 (180deg=0.343) USER MOD Single : B 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 31 MET CE :methyl -174:sc= -1 (180deg=-1.04) USER MOD Single : B 32 ASN : amide:sc= 0.222 X(o=0.22,f=0) USER MOD Single : B 34 ASN : amide:sc= -0.426 K(o=-0.43,f=-1.6) USER MOD Single : B 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 40 SER OG : rot 21:sc= 0.0535 USER MOD Single : B 41 SER OG : rot 180:sc= -0.0593 USER MOD Single : B 45 TYR OH : rot 180:sc= 0 USER MOD Single : B 48 SER OG : rot 180:sc= 0 USER MOD Single : B 49 TYR OH : rot -14:sc= -1.74! USER MOD Single : B 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 53 ASN : amide:sc= -1.62! K(o=-1.6!,f=-0.078) USER MOD Single : B 59 ASN : amide:sc= -7.73! C(o=-7.7!,f=-4.6!) USER MOD Single : B 64 TYR OH : rot -145:sc= -0.181 USER MOD Single : B 67 ASN : amide:sc= -0.388 K(o=-0.39,f=-8.4!) USER MOD Single : B 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 70 SER OG : rot 180:sc= -0.801 USER MOD Single : B 71 THR OG1 : rot -8:sc= 1.27 USER MOD Single : B 76 SER OG : rot 150:sc= 0 USER MOD Single : B 77 ASN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : B 80 ASN : amide:sc= -1.22! K(o=-1.2!,f=-0.016) USER MOD Single : B 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 83 ASN : amide:sc=-0.00614 X(o=-0.0061,f=-0.097) USER MOD Single : B 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 88 TYR OH : rot -121:sc= 0.66 USER MOD Single : B 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 93 GLN : amide:sc= -0.333 X(o=-0.33,f=-0.076) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP B 1 22.180 -9.760 2.989 1.00 0.00 N ATOM 2 CA ASP B 1 22.603 -8.340 3.068 1.00 0.00 C ATOM 3 C ASP B 1 21.466 -7.400 2.687 1.00 0.00 C ATOM 4 O ASP B 1 21.170 -6.449 3.410 1.00 0.00 O ATOM 5 CB ASP B 1 23.805 -8.081 2.155 1.00 0.00 C ATOM 6 CG ASP B 1 25.076 -8.718 2.668 1.00 0.00 C ATOM 7 OD1 ASP B 1 25.795 -8.068 3.453 1.00 0.00 O ATOM 8 OD2 ASP B 1 25.367 -9.871 2.287 1.00 0.00 O1- ATOM 0 H1 ASP B 1 22.971 -10.374 3.271 1.00 0.00 H new ATOM 0 H2 ASP B 1 21.374 -9.918 3.627 1.00 0.00 H new ATOM 0 H3 ASP B 1 21.898 -9.984 2.013 1.00 0.00 H new ATOM 0 HA ASP B 1 22.886 -8.143 4.102 1.00 0.00 H new ATOM 0 HB2 ASP B 1 23.588 -8.465 1.158 1.00 0.00 H new ATOM 0 HB3 ASP B 1 23.956 -7.006 2.057 1.00 0.00 H new ATOM 15 N ASN B 2 20.810 -7.679 1.563 1.00 0.00 N ATOM 16 CA ASN B 2 19.806 -6.767 1.016 1.00 0.00 C ATOM 17 C ASN B 2 18.559 -6.692 1.892 1.00 0.00 C ATOM 18 O ASN B 2 17.850 -5.688 1.878 1.00 0.00 O ATOM 19 CB ASN B 2 19.415 -7.164 -0.415 1.00 0.00 C ATOM 20 CG ASN B 2 18.633 -8.466 -0.503 1.00 0.00 C ATOM 21 OD1 ASN B 2 18.860 -9.402 0.262 1.00 0.00 O ATOM 22 ND2 ASN B 2 17.694 -8.523 -1.431 1.00 0.00 N ATOM 0 H ASN B 2 20.954 -8.526 1.014 1.00 0.00 H new ATOM 0 HA ASN B 2 20.264 -5.778 0.997 1.00 0.00 H new ATOM 0 HB2 ASN B 2 18.819 -6.364 -0.853 1.00 0.00 H new ATOM 0 HB3 ASN B 2 20.320 -7.254 -1.016 1.00 0.00 H new ATOM 0 HD21 ASN B 2 17.127 -9.365 -1.532 1.00 0.00 H new ATOM 0 HD22 ASN B 2 17.536 -7.725 -2.047 1.00 0.00 H new ATOM 29 N GLN B 3 18.298 -7.742 2.664 1.00 0.00 N ATOM 30 CA GLN B 3 17.129 -7.767 3.537 1.00 0.00 C ATOM 31 C GLN B 3 17.334 -6.836 4.728 1.00 0.00 C ATOM 32 O GLN B 3 16.383 -6.470 5.416 1.00 0.00 O ATOM 33 CB GLN B 3 16.847 -9.190 4.029 1.00 0.00 C ATOM 34 CG GLN B 3 17.854 -9.699 5.050 1.00 0.00 C ATOM 35 CD GLN B 3 17.587 -11.125 5.487 1.00 0.00 C ATOM 36 OE1 GLN B 3 17.867 -11.498 6.627 1.00 0.00 O ATOM 37 NE2 GLN B 3 17.051 -11.935 4.590 1.00 0.00 N ATOM 0 H GLN B 3 18.876 -8.582 2.703 1.00 0.00 H new ATOM 0 HA GLN B 3 16.270 -7.422 2.961 1.00 0.00 H new ATOM 0 HB2 GLN B 3 15.850 -9.221 4.469 1.00 0.00 H new ATOM 0 HB3 GLN B 3 16.839 -9.865 3.173 1.00 0.00 H new ATOM 0 HG2 GLN B 3 18.856 -9.637 4.626 1.00 0.00 H new ATOM 0 HG3 GLN B 3 17.837 -9.048 5.924 1.00 0.00 H new ATOM 0 HE21 GLN B 3 16.833 -11.589 3.656 1.00 0.00 H new ATOM 0 HE22 GLN B 3 16.855 -12.906 4.832 1.00 0.00 H new ATOM 46 N LYS B 4 18.584 -6.464 4.970 1.00 0.00 N ATOM 47 CA LYS B 4 18.927 -5.577 6.061 1.00 0.00 C ATOM 48 C LYS B 4 18.891 -4.130 5.573 1.00 0.00 C ATOM 49 O LYS B 4 18.806 -3.190 6.362 1.00 0.00 O ATOM 50 CB LYS B 4 20.324 -5.937 6.566 1.00 0.00 C ATOM 51 CG LYS B 4 20.473 -5.928 8.080 1.00 0.00 C ATOM 52 CD LYS B 4 20.219 -4.555 8.677 1.00 0.00 C ATOM 53 CE LYS B 4 20.444 -4.551 10.180 1.00 0.00 C ATOM 54 NZ LYS B 4 19.600 -5.557 10.875 1.00 0.00 N1+ ATOM 0 H LYS B 4 19.383 -6.770 4.414 1.00 0.00 H new ATOM 0 HA LYS B 4 18.211 -5.685 6.875 1.00 0.00 H new ATOM 0 HB2 LYS B 4 20.586 -6.928 6.194 1.00 0.00 H new ATOM 0 HB3 LYS B 4 21.042 -5.236 6.139 1.00 0.00 H new ATOM 0 HG2 LYS B 4 19.777 -6.645 8.515 1.00 0.00 H new ATOM 0 HG3 LYS B 4 21.478 -6.257 8.346 1.00 0.00 H new ATOM 0 HD2 LYS B 4 20.879 -3.825 8.207 1.00 0.00 H new ATOM 0 HD3 LYS B 4 19.196 -4.246 8.460 1.00 0.00 H new ATOM 0 HE2 LYS B 4 21.494 -4.753 10.389 1.00 0.00 H new ATOM 0 HE3 LYS B 4 20.225 -3.559 10.576 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 19.643 -5.397 11.902 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 18.616 -5.467 10.552 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 19.949 -6.512 10.659 1.00 0.00 H new ATOM 68 N ALA B 5 18.940 -3.970 4.260 1.00 0.00 N ATOM 69 CA ALA B 5 18.977 -2.654 3.646 1.00 0.00 C ATOM 70 C ALA B 5 17.586 -2.039 3.591 1.00 0.00 C ATOM 71 O ALA B 5 16.615 -2.706 3.239 1.00 0.00 O ATOM 72 CB ALA B 5 19.567 -2.750 2.247 1.00 0.00 C ATOM 0 H ALA B 5 18.955 -4.743 3.595 1.00 0.00 H new ATOM 0 HA ALA B 5 19.608 -2.008 4.256 1.00 0.00 H new ATOM 0 HB1 ALA B 5 19.591 -1.759 1.794 1.00 0.00 H new ATOM 0 HB2 ALA B 5 20.580 -3.147 2.306 1.00 0.00 H new ATOM 0 HB3 ALA B 5 18.953 -3.413 1.638 1.00 0.00 H new ATOM 78 N LEU B 6 17.505 -0.754 3.922 1.00 0.00 N ATOM 79 CA LEU B 6 16.236 -0.030 3.935 1.00 0.00 C ATOM 80 C LEU B 6 15.709 0.164 2.518 1.00 0.00 C ATOM 81 O LEU B 6 14.589 0.633 2.319 1.00 0.00 O ATOM 82 CB LEU B 6 16.409 1.331 4.613 1.00 0.00 C ATOM 83 CG LEU B 6 16.947 1.282 6.044 1.00 0.00 C ATOM 84 CD1 LEU B 6 17.163 2.690 6.574 1.00 0.00 C ATOM 85 CD2 LEU B 6 15.999 0.513 6.951 1.00 0.00 C ATOM 0 H LEU B 6 18.311 -0.187 4.187 1.00 0.00 H new ATOM 0 HA LEU B 6 15.514 -0.622 4.498 1.00 0.00 H new ATOM 0 HB2 LEU B 6 17.084 1.937 4.009 1.00 0.00 H new ATOM 0 HB3 LEU B 6 15.445 1.840 4.621 1.00 0.00 H new ATOM 0 HG LEU B 6 17.905 0.761 6.033 1.00 0.00 H new ATOM 0 HD11 LEU B 6 17.546 2.640 7.593 1.00 0.00 H new ATOM 0 HD12 LEU B 6 17.882 3.211 5.941 1.00 0.00 H new ATOM 0 HD13 LEU B 6 16.216 3.230 6.568 1.00 0.00 H new ATOM 0 HD21 LEU B 6 16.402 0.491 7.964 1.00 0.00 H new ATOM 0 HD22 LEU B 6 15.025 1.003 6.958 1.00 0.00 H new ATOM 0 HD23 LEU B 6 15.889 -0.507 6.582 1.00 0.00 H new ATOM 97 N GLU B 7 16.540 -0.180 1.544 1.00 0.00 N ATOM 98 CA GLU B 7 16.163 -0.121 0.144 1.00 0.00 C ATOM 99 C GLU B 7 15.091 -1.164 -0.166 1.00 0.00 C ATOM 100 O GLU B 7 13.981 -0.824 -0.573 1.00 0.00 O ATOM 101 CB GLU B 7 17.399 -0.357 -0.725 1.00 0.00 C ATOM 102 CG GLU B 7 18.588 0.494 -0.312 1.00 0.00 C ATOM 103 CD GLU B 7 19.814 0.244 -1.164 1.00 0.00 C ATOM 104 OE1 GLU B 7 19.978 0.927 -2.197 1.00 0.00 O1- ATOM 105 OE2 GLU B 7 20.625 -0.634 -0.800 1.00 0.00 O ATOM 0 H GLU B 7 17.493 -0.507 1.705 1.00 0.00 H new ATOM 0 HA GLU B 7 15.752 0.865 -0.073 1.00 0.00 H new ATOM 0 HB2 GLU B 7 17.677 -1.410 -0.673 1.00 0.00 H new ATOM 0 HB3 GLU B 7 17.151 -0.144 -1.765 1.00 0.00 H new ATOM 0 HG2 GLU B 7 18.315 1.547 -0.377 1.00 0.00 H new ATOM 0 HG3 GLU B 7 18.829 0.291 0.731 1.00 0.00 H new ATOM 112 N GLU B 8 15.426 -2.435 0.038 1.00 0.00 N ATOM 113 CA GLU B 8 14.499 -3.513 -0.231 1.00 0.00 C ATOM 114 C GLU B 8 13.671 -3.859 1.002 1.00 0.00 C ATOM 115 O GLU B 8 12.743 -4.665 0.941 1.00 0.00 O ATOM 116 CB GLU B 8 15.235 -4.743 -0.766 1.00 0.00 C ATOM 117 CG GLU B 8 15.959 -4.475 -2.076 1.00 0.00 C ATOM 118 CD GLU B 8 16.325 -5.744 -2.821 1.00 0.00 C ATOM 119 OE1 GLU B 8 15.446 -6.312 -3.501 1.00 0.00 O1- ATOM 120 OE2 GLU B 8 17.492 -6.173 -2.745 1.00 0.00 O ATOM 0 H GLU B 8 16.335 -2.737 0.389 1.00 0.00 H new ATOM 0 HA GLU B 8 13.808 -3.172 -1.001 1.00 0.00 H new ATOM 0 HB2 GLU B 8 15.955 -5.082 -0.021 1.00 0.00 H new ATOM 0 HB3 GLU B 8 14.521 -5.553 -0.911 1.00 0.00 H new ATOM 0 HG2 GLU B 8 15.328 -3.855 -2.713 1.00 0.00 H new ATOM 0 HG3 GLU B 8 16.866 -3.905 -1.874 1.00 0.00 H new ATOM 127 N GLN B 9 14.017 -3.245 2.113 1.00 0.00 N ATOM 128 CA GLN B 9 13.223 -3.346 3.329 1.00 0.00 C ATOM 129 C GLN B 9 12.843 -1.947 3.785 1.00 0.00 C ATOM 130 O GLN B 9 13.504 -1.346 4.633 1.00 0.00 O ATOM 131 CB GLN B 9 13.977 -4.090 4.436 1.00 0.00 C ATOM 132 CG GLN B 9 13.141 -4.293 5.690 1.00 0.00 C ATOM 133 CD GLN B 9 13.825 -5.153 6.728 1.00 0.00 C ATOM 134 OE1 GLN B 9 13.678 -6.375 6.727 1.00 0.00 O ATOM 135 NE2 GLN B 9 14.557 -4.524 7.631 1.00 0.00 N ATOM 0 H GLN B 9 14.850 -2.664 2.204 1.00 0.00 H new ATOM 0 HA GLN B 9 12.323 -3.922 3.115 1.00 0.00 H new ATOM 0 HB2 GLN B 9 14.299 -5.061 4.060 1.00 0.00 H new ATOM 0 HB3 GLN B 9 14.878 -3.533 4.693 1.00 0.00 H new ATOM 0 HG2 GLN B 9 12.911 -3.321 6.127 1.00 0.00 H new ATOM 0 HG3 GLN B 9 12.191 -4.752 5.416 1.00 0.00 H new ATOM 0 HE21 GLN B 9 14.652 -3.509 7.594 1.00 0.00 H new ATOM 0 HE22 GLN B 9 15.027 -5.054 8.365 1.00 0.00 H new ATOM 144 N MET B 10 11.778 -1.431 3.205 1.00 0.00 N ATOM 145 CA MET B 10 11.417 -0.036 3.380 1.00 0.00 C ATOM 146 C MET B 10 10.170 0.148 4.246 1.00 0.00 C ATOM 147 O MET B 10 9.701 -0.793 4.877 1.00 0.00 O ATOM 148 CB MET B 10 11.233 0.632 2.013 1.00 0.00 C ATOM 149 CG MET B 10 10.831 -0.326 0.896 1.00 0.00 C ATOM 150 SD MET B 10 9.317 -1.236 1.256 1.00 0.00 S ATOM 151 CE MET B 10 9.187 -2.261 -0.209 1.00 0.00 C ATOM 0 H MET B 10 11.144 -1.959 2.605 1.00 0.00 H new ATOM 0 HA MET B 10 12.236 0.447 3.912 1.00 0.00 H new ATOM 0 HB2 MET B 10 10.474 1.409 2.100 1.00 0.00 H new ATOM 0 HB3 MET B 10 12.164 1.126 1.735 1.00 0.00 H new ATOM 0 HG2 MET B 10 10.698 0.237 -0.028 1.00 0.00 H new ATOM 0 HG3 MET B 10 11.641 -1.034 0.724 1.00 0.00 H new ATOM 0 HE1 MET B 10 8.269 -2.847 -0.163 1.00 0.00 H new ATOM 0 HE2 MET B 10 9.169 -1.628 -1.096 1.00 0.00 H new ATOM 0 HE3 MET B 10 10.044 -2.933 -0.260 1.00 0.00 H new ATOM 161 N ASN B 11 9.649 1.364 4.269 1.00 0.00 N ATOM 162 CA ASN B 11 8.499 1.737 5.091 1.00 0.00 C ATOM 163 C ASN B 11 7.299 0.789 4.932 1.00 0.00 C ATOM 164 O ASN B 11 6.471 0.658 5.839 1.00 0.00 O ATOM 165 CB ASN B 11 8.075 3.161 4.737 1.00 0.00 C ATOM 166 CG ASN B 11 7.016 3.721 5.667 1.00 0.00 C ATOM 167 OD1 ASN B 11 5.819 3.634 5.393 1.00 0.00 O ATOM 168 ND2 ASN B 11 7.449 4.309 6.773 1.00 0.00 N ATOM 0 H ASN B 11 10.016 2.135 3.710 1.00 0.00 H new ATOM 0 HA ASN B 11 8.814 1.667 6.132 1.00 0.00 H new ATOM 0 HB2 ASN B 11 8.950 3.810 4.762 1.00 0.00 H new ATOM 0 HB3 ASN B 11 7.696 3.176 3.715 1.00 0.00 H new ATOM 0 HD21 ASN B 11 6.782 4.709 7.432 1.00 0.00 H new ATOM 0 HD22 ASN B 11 8.449 4.361 6.965 1.00 0.00 H new ATOM 175 N SER B 12 7.213 0.116 3.791 1.00 0.00 N ATOM 176 CA SER B 12 6.073 -0.736 3.489 1.00 0.00 C ATOM 177 C SER B 12 6.012 -1.944 4.415 1.00 0.00 C ATOM 178 O SER B 12 4.984 -2.618 4.496 1.00 0.00 O ATOM 179 CB SER B 12 6.125 -1.200 2.035 1.00 0.00 C ATOM 180 OG SER B 12 6.232 -0.093 1.158 1.00 0.00 O ATOM 0 H SER B 12 7.922 0.145 3.059 1.00 0.00 H new ATOM 0 HA SER B 12 5.172 -0.144 3.647 1.00 0.00 H new ATOM 0 HB2 SER B 12 6.975 -1.867 1.891 1.00 0.00 H new ATOM 0 HB3 SER B 12 5.228 -1.772 1.799 1.00 0.00 H new ATOM 0 HG SER B 12 5.351 0.111 0.780 1.00 0.00 H new ATOM 186 N ILE B 13 7.111 -2.210 5.114 1.00 0.00 N ATOM 187 CA ILE B 13 7.177 -3.335 6.025 1.00 0.00 C ATOM 188 C ILE B 13 6.145 -3.196 7.141 1.00 0.00 C ATOM 189 O ILE B 13 5.352 -4.104 7.388 1.00 0.00 O ATOM 190 CB ILE B 13 8.579 -3.459 6.655 1.00 0.00 C ATOM 191 CG1 ILE B 13 9.638 -3.591 5.561 1.00 0.00 C ATOM 192 CG2 ILE B 13 8.641 -4.646 7.611 1.00 0.00 C ATOM 193 CD1 ILE B 13 9.676 -4.948 4.892 1.00 0.00 C ATOM 0 H ILE B 13 7.967 -1.657 5.063 1.00 0.00 H new ATOM 0 HA ILE B 13 6.963 -4.231 5.443 1.00 0.00 H new ATOM 0 HB ILE B 13 8.782 -2.555 7.229 1.00 0.00 H new ATOM 0 HG12 ILE B 13 9.457 -2.830 4.802 1.00 0.00 H new ATOM 0 HG13 ILE B 13 10.617 -3.384 5.993 1.00 0.00 H new ATOM 0 HG21 ILE B 13 9.639 -4.713 8.043 1.00 0.00 H new ATOM 0 HG22 ILE B 13 7.909 -4.510 8.407 1.00 0.00 H new ATOM 0 HG23 ILE B 13 8.419 -5.564 7.066 1.00 0.00 H new ATOM 0 HD11 ILE B 13 10.455 -4.956 4.129 1.00 0.00 H new ATOM 0 HD12 ILE B 13 9.890 -5.715 5.637 1.00 0.00 H new ATOM 0 HD13 ILE B 13 8.711 -5.152 4.428 1.00 0.00 H new ATOM 205 N ASN B 14 6.157 -2.057 7.813 1.00 0.00 N ATOM 206 CA ASN B 14 5.293 -1.847 8.958 1.00 0.00 C ATOM 207 C ASN B 14 4.143 -0.898 8.640 1.00 0.00 C ATOM 208 O ASN B 14 2.976 -1.291 8.680 1.00 0.00 O ATOM 209 CB ASN B 14 6.105 -1.303 10.130 1.00 0.00 C ATOM 210 CG ASN B 14 7.111 -2.303 10.656 1.00 0.00 C ATOM 211 OD1 ASN B 14 6.798 -3.109 11.530 1.00 0.00 O ATOM 212 ND2 ASN B 14 8.327 -2.260 10.133 1.00 0.00 N ATOM 0 H ASN B 14 6.757 -1.264 7.584 1.00 0.00 H new ATOM 0 HA ASN B 14 4.861 -2.812 9.224 1.00 0.00 H new ATOM 0 HB2 ASN B 14 6.627 -0.399 9.817 1.00 0.00 H new ATOM 0 HB3 ASN B 14 5.428 -1.017 10.935 1.00 0.00 H new ATOM 0 HD21 ASN B 14 9.044 -2.911 10.454 1.00 0.00 H new ATOM 0 HD22 ASN B 14 8.547 -1.576 9.409 1.00 0.00 H new ATOM 219 N SER B 15 4.485 0.342 8.312 1.00 0.00 N ATOM 220 CA SER B 15 3.507 1.407 8.161 1.00 0.00 C ATOM 221 C SER B 15 2.474 1.089 7.081 1.00 0.00 C ATOM 222 O SER B 15 1.283 1.000 7.373 1.00 0.00 O ATOM 223 CB SER B 15 4.220 2.727 7.857 1.00 0.00 C ATOM 224 OG SER B 15 3.309 3.811 7.794 1.00 0.00 O ATOM 0 H SER B 15 5.447 0.635 8.144 1.00 0.00 H new ATOM 0 HA SER B 15 2.964 1.499 9.102 1.00 0.00 H new ATOM 0 HB2 SER B 15 4.967 2.923 8.626 1.00 0.00 H new ATOM 0 HB3 SER B 15 4.753 2.643 6.910 1.00 0.00 H new ATOM 0 HG SER B 15 3.798 4.638 7.600 1.00 0.00 H new ATOM 230 N VAL B 16 2.930 0.900 5.843 1.00 0.00 N ATOM 231 CA VAL B 16 2.018 0.643 4.726 1.00 0.00 C ATOM 232 C VAL B 16 1.166 -0.590 4.994 1.00 0.00 C ATOM 233 O VAL B 16 -0.033 -0.602 4.715 1.00 0.00 O ATOM 234 CB VAL B 16 2.775 0.452 3.398 1.00 0.00 C ATOM 235 CG1 VAL B 16 1.807 0.262 2.241 1.00 0.00 C ATOM 236 CG2 VAL B 16 3.698 1.629 3.128 1.00 0.00 C ATOM 0 H VAL B 16 3.917 0.919 5.588 1.00 0.00 H new ATOM 0 HA VAL B 16 1.377 1.520 4.637 1.00 0.00 H new ATOM 0 HB VAL B 16 3.382 -0.449 3.487 1.00 0.00 H new ATOM 0 HG11 VAL B 16 2.368 0.129 1.316 1.00 0.00 H new ATOM 0 HG12 VAL B 16 1.192 -0.619 2.422 1.00 0.00 H new ATOM 0 HG13 VAL B 16 1.167 1.140 2.155 1.00 0.00 H new ATOM 0 HG21 VAL B 16 4.222 1.472 2.185 1.00 0.00 H new ATOM 0 HG22 VAL B 16 3.111 2.546 3.069 1.00 0.00 H new ATOM 0 HG23 VAL B 16 4.424 1.715 3.936 1.00 0.00 H new ATOM 246 N ASN B 17 1.793 -1.612 5.560 1.00 0.00 N ATOM 247 CA ASN B 17 1.108 -2.858 5.880 1.00 0.00 C ATOM 248 C ASN B 17 -0.066 -2.612 6.820 1.00 0.00 C ATOM 249 O ASN B 17 -1.186 -3.031 6.540 1.00 0.00 O ATOM 250 CB ASN B 17 2.086 -3.847 6.519 1.00 0.00 C ATOM 251 CG ASN B 17 1.438 -5.162 6.933 1.00 0.00 C ATOM 252 OD1 ASN B 17 1.824 -5.758 7.940 1.00 0.00 O ATOM 253 ND2 ASN B 17 0.479 -5.639 6.153 1.00 0.00 N ATOM 0 H ASN B 17 2.782 -1.602 5.809 1.00 0.00 H new ATOM 0 HA ASN B 17 0.722 -3.280 4.952 1.00 0.00 H new ATOM 0 HB2 ASN B 17 2.892 -4.054 5.815 1.00 0.00 H new ATOM 0 HB3 ASN B 17 2.539 -3.383 7.395 1.00 0.00 H new ATOM 0 HD21 ASN B 17 0.034 -6.529 6.378 1.00 0.00 H new ATOM 0 HD22 ASN B 17 0.186 -5.117 5.327 1.00 0.00 H new ATOM 260 N ASP B 18 0.186 -1.909 7.917 1.00 0.00 N ATOM 261 CA ASP B 18 -0.826 -1.714 8.941 1.00 0.00 C ATOM 262 C ASP B 18 -1.851 -0.672 8.521 1.00 0.00 C ATOM 263 O ASP B 18 -3.030 -0.781 8.859 1.00 0.00 O ATOM 264 CB ASP B 18 -0.168 -1.301 10.250 1.00 0.00 C ATOM 265 CG ASP B 18 -0.331 -2.350 11.327 1.00 0.00 C ATOM 266 OD1 ASP B 18 -1.457 -2.515 11.846 1.00 0.00 O ATOM 267 OD2 ASP B 18 0.668 -3.025 11.657 1.00 0.00 O1- ATOM 0 H ASP B 18 1.082 -1.466 8.118 1.00 0.00 H new ATOM 0 HA ASP B 18 -1.349 -2.660 9.080 1.00 0.00 H new ATOM 0 HB2 ASP B 18 0.893 -1.119 10.080 1.00 0.00 H new ATOM 0 HB3 ASP B 18 -0.601 -0.361 10.592 1.00 0.00 H new ATOM 272 N LYS B 19 -1.398 0.334 7.780 1.00 0.00 N ATOM 273 CA LYS B 19 -2.251 1.368 7.273 1.00 0.00 C ATOM 274 C LYS B 19 -3.270 0.799 6.293 1.00 0.00 C ATOM 275 O LYS B 19 -4.465 1.092 6.365 1.00 0.00 O ATOM 276 CB LYS B 19 -1.340 2.368 6.597 1.00 0.00 C ATOM 277 CG LYS B 19 -2.017 3.304 5.648 1.00 0.00 C ATOM 278 CD LYS B 19 -3.072 4.163 6.326 1.00 0.00 C ATOM 279 CE LYS B 19 -2.515 4.862 7.551 1.00 0.00 C ATOM 280 NZ LYS B 19 -3.506 5.777 8.175 1.00 0.00 N1+ ATOM 0 H LYS B 19 -0.418 0.443 7.520 1.00 0.00 H new ATOM 0 HA LYS B 19 -2.825 1.838 8.072 1.00 0.00 H new ATOM 0 HB2 LYS B 19 -0.837 2.955 7.365 1.00 0.00 H new ATOM 0 HB3 LYS B 19 -0.567 1.823 6.056 1.00 0.00 H new ATOM 0 HG2 LYS B 19 -1.270 3.950 5.186 1.00 0.00 H new ATOM 0 HG3 LYS B 19 -2.482 2.730 4.847 1.00 0.00 H new ATOM 0 HD2 LYS B 19 -3.447 4.905 5.621 1.00 0.00 H new ATOM 0 HD3 LYS B 19 -3.919 3.541 6.614 1.00 0.00 H new ATOM 0 HE2 LYS B 19 -2.201 4.116 8.281 1.00 0.00 H new ATOM 0 HE3 LYS B 19 -1.626 5.428 7.272 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 -3.082 6.232 9.008 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 -3.787 6.505 7.488 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 -4.344 5.234 8.466 1.00 0.00 H new ATOM 294 N LEU B 20 -2.782 -0.005 5.373 1.00 0.00 N ATOM 295 CA LEU B 20 -3.645 -0.683 4.425 1.00 0.00 C ATOM 296 C LEU B 20 -4.517 -1.715 5.130 1.00 0.00 C ATOM 297 O LEU B 20 -5.730 -1.760 4.919 1.00 0.00 O ATOM 298 CB LEU B 20 -2.824 -1.348 3.322 1.00 0.00 C ATOM 299 CG LEU B 20 -2.342 -0.421 2.209 1.00 0.00 C ATOM 300 CD1 LEU B 20 -1.464 -1.184 1.229 1.00 0.00 C ATOM 301 CD2 LEU B 20 -3.524 0.192 1.483 1.00 0.00 C ATOM 0 H LEU B 20 -1.789 -0.207 5.260 1.00 0.00 H new ATOM 0 HA LEU B 20 -4.294 0.064 3.968 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -1.955 -1.823 3.777 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -3.423 -2.141 2.876 1.00 0.00 H new ATOM 0 HG LEU B 20 -1.753 0.380 2.657 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -1.128 -0.510 0.441 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -0.599 -1.588 1.754 1.00 0.00 H new ATOM 0 HD13 LEU B 20 -2.035 -2.001 0.788 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -3.164 0.850 0.692 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -4.133 -0.599 1.047 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -4.126 0.766 2.187 1.00 0.00 H new ATOM 313 N ASN B 21 -3.903 -2.517 5.991 1.00 0.00 N ATOM 314 CA ASN B 21 -4.622 -3.571 6.695 1.00 0.00 C ATOM 315 C ASN B 21 -5.230 -3.048 7.998 1.00 0.00 C ATOM 316 O ASN B 21 -4.978 -3.582 9.079 1.00 0.00 O ATOM 317 CB ASN B 21 -3.700 -4.769 6.974 1.00 0.00 C ATOM 318 CG ASN B 21 -4.441 -5.964 7.556 1.00 0.00 C ATOM 319 OD1 ASN B 21 -5.621 -6.183 7.269 1.00 0.00 O ATOM 320 ND2 ASN B 21 -3.757 -6.746 8.381 1.00 0.00 N ATOM 0 H ASN B 21 -2.910 -2.458 6.218 1.00 0.00 H new ATOM 0 HA ASN B 21 -5.436 -3.905 6.052 1.00 0.00 H new ATOM 0 HB2 ASN B 21 -3.210 -5.068 6.047 1.00 0.00 H new ATOM 0 HB3 ASN B 21 -2.915 -4.463 7.665 1.00 0.00 H new ATOM 0 HD21 ASN B 21 -4.205 -7.560 8.801 1.00 0.00 H new ATOM 0 HD22 ASN B 21 -2.783 -6.533 8.595 1.00 0.00 H new ATOM 327 N LYS B 22 -6.005 -1.976 7.895 1.00 0.00 N ATOM 328 CA LYS B 22 -6.858 -1.553 8.999 1.00 0.00 C ATOM 329 C LYS B 22 -8.145 -2.353 8.929 1.00 0.00 C ATOM 330 O LYS B 22 -8.838 -2.556 9.927 1.00 0.00 O ATOM 331 CB LYS B 22 -7.177 -0.059 8.927 1.00 0.00 C ATOM 332 CG LYS B 22 -5.960 0.844 9.024 1.00 0.00 C ATOM 333 CD LYS B 22 -6.349 2.317 8.968 1.00 0.00 C ATOM 334 CE LYS B 22 -7.137 2.743 10.199 1.00 0.00 C ATOM 335 NZ LYS B 22 -6.313 2.689 11.434 1.00 0.00 N1+ ATOM 0 H LYS B 22 -6.061 -1.387 7.064 1.00 0.00 H new ATOM 0 HA LYS B 22 -6.336 -1.729 9.940 1.00 0.00 H new ATOM 0 HB2 LYS B 22 -7.693 0.146 7.989 1.00 0.00 H new ATOM 0 HB3 LYS B 22 -7.867 0.193 9.732 1.00 0.00 H new ATOM 0 HG2 LYS B 22 -5.430 0.642 9.955 1.00 0.00 H new ATOM 0 HG3 LYS B 22 -5.272 0.617 8.209 1.00 0.00 H new ATOM 0 HD2 LYS B 22 -5.450 2.927 8.884 1.00 0.00 H new ATOM 0 HD3 LYS B 22 -6.944 2.502 8.074 1.00 0.00 H new ATOM 0 HE2 LYS B 22 -7.511 3.757 10.057 1.00 0.00 H new ATOM 0 HE3 LYS B 22 -8.006 2.096 10.315 1.00 0.00 H new ATOM 0 HZ1 LYS B 22 -6.813 3.173 12.207 1.00 0.00 H new ATOM 0 HZ2 LYS B 22 -6.147 1.697 11.697 1.00 0.00 H new ATOM 0 HZ3 LYS B 22 -5.401 3.159 11.264 1.00 0.00 H new ATOM 349 N GLY B 23 -8.446 -2.797 7.718 1.00 0.00 N ATOM 350 CA GLY B 23 -9.602 -3.611 7.463 1.00 0.00 C ATOM 351 C GLY B 23 -9.887 -3.668 5.985 1.00 0.00 C ATOM 352 O GLY B 23 -9.269 -4.447 5.266 1.00 0.00 O ATOM 0 H GLY B 23 -7.887 -2.597 6.889 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -9.438 -4.618 7.847 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -10.465 -3.205 7.991 1.00 0.00 H new ATOM 356 N LYS B 24 -10.763 -2.771 5.538 1.00 0.00 N ATOM 357 CA LYS B 24 -11.218 -2.711 4.156 1.00 0.00 C ATOM 358 C LYS B 24 -11.427 -4.117 3.599 1.00 0.00 C ATOM 359 O LYS B 24 -12.153 -4.931 4.173 1.00 0.00 O ATOM 360 CB LYS B 24 -10.224 -1.936 3.265 1.00 0.00 C ATOM 361 CG LYS B 24 -9.811 -0.556 3.784 1.00 0.00 C ATOM 362 CD LYS B 24 -8.728 -0.639 4.852 1.00 0.00 C ATOM 363 CE LYS B 24 -8.170 0.732 5.221 1.00 0.00 C ATOM 364 NZ LYS B 24 -7.399 1.353 4.109 1.00 0.00 N1+ ATOM 0 H LYS B 24 -11.181 -2.057 6.135 1.00 0.00 H new ATOM 0 HA LYS B 24 -12.168 -2.177 4.148 1.00 0.00 H new ATOM 0 HB2 LYS B 24 -9.326 -2.542 3.140 1.00 0.00 H new ATOM 0 HB3 LYS B 24 -10.667 -1.815 2.276 1.00 0.00 H new ATOM 0 HG2 LYS B 24 -9.452 0.050 2.952 1.00 0.00 H new ATOM 0 HG3 LYS B 24 -10.684 -0.049 4.194 1.00 0.00 H new ATOM 0 HD2 LYS B 24 -9.136 -1.114 5.744 1.00 0.00 H new ATOM 0 HD3 LYS B 24 -7.917 -1.274 4.495 1.00 0.00 H new ATOM 0 HE2 LYS B 24 -8.991 1.391 5.502 1.00 0.00 H new ATOM 0 HE3 LYS B 24 -7.526 0.635 6.095 1.00 0.00 H new ATOM 0 HZ1 LYS B 24 -6.678 1.992 4.501 1.00 0.00 H new ATOM 0 HZ2 LYS B 24 -6.935 0.609 3.550 1.00 0.00 H new ATOM 0 HZ3 LYS B 24 -8.045 1.893 3.498 1.00 0.00 H new ATOM 378 N GLY B 25 -10.775 -4.387 2.490 1.00 0.00 N ATOM 379 CA GLY B 25 -10.791 -5.713 1.918 1.00 0.00 C ATOM 380 C GLY B 25 -9.717 -6.567 2.547 1.00 0.00 C ATOM 381 O GLY B 25 -8.602 -6.092 2.757 1.00 0.00 O ATOM 0 H GLY B 25 -10.227 -3.705 1.966 1.00 0.00 H new ATOM 0 HA2 GLY B 25 -11.767 -6.172 2.073 1.00 0.00 H new ATOM 0 HA3 GLY B 25 -10.634 -5.654 0.841 1.00 0.00 H new ATOM 385 N LYS B 26 -10.052 -7.812 2.857 1.00 0.00 N ATOM 386 CA LYS B 26 -9.118 -8.715 3.518 1.00 0.00 C ATOM 387 C LYS B 26 -7.903 -8.941 2.645 1.00 0.00 C ATOM 388 O LYS B 26 -7.953 -9.731 1.718 1.00 0.00 O ATOM 389 CB LYS B 26 -9.781 -10.055 3.800 1.00 0.00 C ATOM 390 CG LYS B 26 -11.093 -9.937 4.541 1.00 0.00 C ATOM 391 CD LYS B 26 -11.430 -11.224 5.262 1.00 0.00 C ATOM 392 CE LYS B 26 -11.665 -12.377 4.299 1.00 0.00 C ATOM 393 NZ LYS B 26 -12.045 -13.623 5.013 1.00 0.00 N1+ ATOM 0 H LYS B 26 -10.966 -8.221 2.661 1.00 0.00 H new ATOM 0 HA LYS B 26 -8.813 -8.258 4.459 1.00 0.00 H new ATOM 0 HB2 LYS B 26 -9.952 -10.572 2.856 1.00 0.00 H new ATOM 0 HB3 LYS B 26 -9.098 -10.673 4.383 1.00 0.00 H new ATOM 0 HG2 LYS B 26 -11.036 -9.119 5.259 1.00 0.00 H new ATOM 0 HG3 LYS B 26 -11.890 -9.691 3.839 1.00 0.00 H new ATOM 0 HD2 LYS B 26 -10.618 -11.481 5.942 1.00 0.00 H new ATOM 0 HD3 LYS B 26 -12.321 -11.074 5.871 1.00 0.00 H new ATOM 0 HE2 LYS B 26 -12.452 -12.107 3.594 1.00 0.00 H new ATOM 0 HE3 LYS B 26 -10.761 -12.553 3.716 1.00 0.00 H new ATOM 0 HZ1 LYS B 26 -12.197 -14.386 4.323 1.00 0.00 H new ATOM 0 HZ2 LYS B 26 -11.283 -13.894 5.667 1.00 0.00 H new ATOM 0 HZ3 LYS B 26 -12.921 -13.462 5.549 1.00 0.00 H new ATOM 407 N LEU B 27 -6.821 -8.258 2.947 1.00 0.00 N ATOM 408 CA LEU B 27 -5.669 -8.245 2.102 1.00 0.00 C ATOM 409 C LEU B 27 -4.423 -8.589 2.911 1.00 0.00 C ATOM 410 O LEU B 27 -4.133 -7.954 3.926 1.00 0.00 O ATOM 411 CB LEU B 27 -5.557 -6.865 1.467 1.00 0.00 C ATOM 412 CG LEU B 27 -4.279 -6.631 0.704 1.00 0.00 C ATOM 413 CD1 LEU B 27 -4.224 -7.516 -0.530 1.00 0.00 C ATOM 414 CD2 LEU B 27 -4.133 -5.167 0.326 1.00 0.00 C ATOM 0 H LEU B 27 -6.725 -7.696 3.793 1.00 0.00 H new ATOM 0 HA LEU B 27 -5.763 -8.994 1.316 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -6.400 -6.720 0.792 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -5.642 -6.111 2.249 1.00 0.00 H new ATOM 0 HG LEU B 27 -3.443 -6.895 1.352 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -3.294 -7.333 -1.068 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -4.269 -8.563 -0.229 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -5.069 -7.288 -1.179 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -3.203 -5.024 -0.224 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -4.974 -4.867 -0.299 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -4.118 -4.558 1.230 1.00 0.00 H new ATOM 426 N SER B 28 -3.715 -9.613 2.470 1.00 0.00 N ATOM 427 CA SER B 28 -2.542 -10.108 3.173 1.00 0.00 C ATOM 428 C SER B 28 -1.255 -9.707 2.461 1.00 0.00 C ATOM 429 O SER B 28 -0.855 -10.344 1.490 1.00 0.00 O ATOM 430 CB SER B 28 -2.635 -11.625 3.266 1.00 0.00 C ATOM 431 OG SER B 28 -3.069 -12.179 2.032 1.00 0.00 O ATOM 0 H SER B 28 -3.935 -10.125 1.616 1.00 0.00 H new ATOM 0 HA SER B 28 -2.516 -9.668 4.170 1.00 0.00 H new ATOM 0 HB2 SER B 28 -1.662 -12.038 3.533 1.00 0.00 H new ATOM 0 HB3 SER B 28 -3.329 -11.904 4.059 1.00 0.00 H new ATOM 0 HG SER B 28 -3.813 -11.648 1.679 1.00 0.00 H new ATOM 437 N LEU B 29 -0.595 -8.672 2.955 1.00 0.00 N ATOM 438 CA LEU B 29 0.598 -8.160 2.291 1.00 0.00 C ATOM 439 C LEU B 29 1.848 -8.876 2.767 1.00 0.00 C ATOM 440 O LEU B 29 1.953 -9.300 3.919 1.00 0.00 O ATOM 441 CB LEU B 29 0.820 -6.663 2.534 1.00 0.00 C ATOM 442 CG LEU B 29 -0.285 -5.696 2.106 1.00 0.00 C ATOM 443 CD1 LEU B 29 -0.693 -5.943 0.667 1.00 0.00 C ATOM 444 CD2 LEU B 29 -1.468 -5.790 3.042 1.00 0.00 C ATOM 0 H LEU B 29 -0.859 -8.173 3.804 1.00 0.00 H new ATOM 0 HA LEU B 29 0.426 -8.336 1.229 1.00 0.00 H new ATOM 0 HB2 LEU B 29 0.995 -6.520 3.600 1.00 0.00 H new ATOM 0 HB3 LEU B 29 1.736 -6.373 2.019 1.00 0.00 H new ATOM 0 HG LEU B 29 0.105 -4.680 2.165 1.00 0.00 H new ATOM 0 HD11 LEU B 29 -1.480 -5.243 0.387 1.00 0.00 H new ATOM 0 HD12 LEU B 29 0.169 -5.801 0.015 1.00 0.00 H new ATOM 0 HD13 LEU B 29 -1.062 -6.964 0.563 1.00 0.00 H new ATOM 0 HD21 LEU B 29 -2.243 -5.094 2.720 1.00 0.00 H new ATOM 0 HD22 LEU B 29 -1.864 -6.806 3.028 1.00 0.00 H new ATOM 0 HD23 LEU B 29 -1.152 -5.538 4.054 1.00 0.00 H new ATOM 456 N SER B 30 2.789 -8.995 1.860 1.00 0.00 N ATOM 457 CA SER B 30 4.125 -9.426 2.172 1.00 0.00 C ATOM 458 C SER B 30 5.108 -8.647 1.313 1.00 0.00 C ATOM 459 O SER B 30 4.845 -8.375 0.139 1.00 0.00 O ATOM 460 CB SER B 30 4.281 -10.913 1.925 1.00 0.00 C ATOM 461 OG SER B 30 3.834 -11.265 0.630 1.00 0.00 O ATOM 0 H SER B 30 2.643 -8.791 0.871 1.00 0.00 H new ATOM 0 HA SER B 30 4.325 -9.237 3.227 1.00 0.00 H new ATOM 0 HB2 SER B 30 5.327 -11.196 2.041 1.00 0.00 H new ATOM 0 HB3 SER B 30 3.715 -11.470 2.672 1.00 0.00 H new ATOM 0 HG SER B 30 3.193 -10.595 0.312 1.00 0.00 H new ATOM 467 N MET B 31 6.227 -8.286 1.898 1.00 0.00 N ATOM 468 CA MET B 31 7.192 -7.431 1.237 1.00 0.00 C ATOM 469 C MET B 31 8.408 -8.235 0.815 1.00 0.00 C ATOM 470 O MET B 31 8.953 -9.011 1.602 1.00 0.00 O ATOM 471 CB MET B 31 7.618 -6.298 2.170 1.00 0.00 C ATOM 472 CG MET B 31 6.470 -5.723 2.985 1.00 0.00 C ATOM 473 SD MET B 31 6.053 -6.746 4.414 1.00 0.00 S ATOM 474 CE MET B 31 4.541 -5.962 4.954 1.00 0.00 C ATOM 0 H MET B 31 6.495 -8.573 2.839 1.00 0.00 H new ATOM 0 HA MET B 31 6.726 -7.005 0.349 1.00 0.00 H new ATOM 0 HB2 MET B 31 8.387 -6.666 2.849 1.00 0.00 H new ATOM 0 HB3 MET B 31 8.069 -5.501 1.579 1.00 0.00 H new ATOM 0 HG2 MET B 31 6.736 -4.722 3.325 1.00 0.00 H new ATOM 0 HG3 MET B 31 5.592 -5.621 2.347 1.00 0.00 H new ATOM 0 HE1 MET B 31 4.213 -6.411 5.892 1.00 0.00 H new ATOM 0 HE2 MET B 31 4.717 -4.897 5.103 1.00 0.00 H new ATOM 0 HE3 MET B 31 3.769 -6.100 4.197 1.00 0.00 H new ATOM 484 N ASN B 32 8.814 -8.069 -0.431 1.00 0.00 N ATOM 485 CA ASN B 32 10.011 -8.721 -0.935 1.00 0.00 C ATOM 486 C ASN B 32 10.765 -7.752 -1.835 1.00 0.00 C ATOM 487 O ASN B 32 10.826 -7.931 -3.055 1.00 0.00 O ATOM 488 CB ASN B 32 9.655 -10.008 -1.692 1.00 0.00 C ATOM 489 CG ASN B 32 10.864 -10.896 -1.938 1.00 0.00 C ATOM 490 OD1 ASN B 32 11.156 -11.798 -1.152 1.00 0.00 O ATOM 491 ND2 ASN B 32 11.583 -10.646 -3.021 1.00 0.00 N ATOM 0 H ASN B 32 8.331 -7.486 -1.115 1.00 0.00 H new ATOM 0 HA ASN B 32 10.648 -9.002 -0.096 1.00 0.00 H new ATOM 0 HB2 ASN B 32 8.910 -10.565 -1.124 1.00 0.00 H new ATOM 0 HB3 ASN B 32 9.199 -9.749 -2.647 1.00 0.00 H new ATOM 0 HD21 ASN B 32 12.408 -11.209 -3.226 1.00 0.00 H new ATOM 0 HD22 ASN B 32 11.311 -9.891 -3.650 1.00 0.00 H new ATOM 498 N GLY B 33 11.310 -6.710 -1.216 1.00 0.00 N ATOM 499 CA GLY B 33 12.023 -5.679 -1.945 1.00 0.00 C ATOM 500 C GLY B 33 11.135 -4.939 -2.916 1.00 0.00 C ATOM 501 O GLY B 33 10.346 -4.085 -2.520 1.00 0.00 O ATOM 0 H GLY B 33 11.269 -6.561 -0.208 1.00 0.00 H new ATOM 0 HA2 GLY B 33 12.453 -4.970 -1.238 1.00 0.00 H new ATOM 0 HA3 GLY B 33 12.853 -6.131 -2.488 1.00 0.00 H new ATOM 505 N ASN B 34 11.260 -5.282 -4.186 1.00 0.00 N ATOM 506 CA ASN B 34 10.476 -4.650 -5.231 1.00 0.00 C ATOM 507 C ASN B 34 9.070 -5.224 -5.281 1.00 0.00 C ATOM 508 O ASN B 34 8.143 -4.572 -5.748 1.00 0.00 O ATOM 509 CB ASN B 34 11.152 -4.829 -6.594 1.00 0.00 C ATOM 510 CG ASN B 34 12.380 -3.957 -6.774 1.00 0.00 C ATOM 511 OD1 ASN B 34 13.075 -3.621 -5.814 1.00 0.00 O ATOM 512 ND2 ASN B 34 12.660 -3.584 -8.014 1.00 0.00 N ATOM 0 H ASN B 34 11.902 -6.001 -4.520 1.00 0.00 H new ATOM 0 HA ASN B 34 10.412 -3.587 -4.999 1.00 0.00 H new ATOM 0 HB2 ASN B 34 11.436 -5.874 -6.716 1.00 0.00 H new ATOM 0 HB3 ASN B 34 10.434 -4.600 -7.381 1.00 0.00 H new ATOM 0 HD21 ASN B 34 13.475 -2.999 -8.199 1.00 0.00 H new ATOM 0 HD22 ASN B 34 12.061 -3.882 -8.784 1.00 0.00 H new ATOM 519 N GLN B 35 8.898 -6.443 -4.800 1.00 0.00 N ATOM 520 CA GLN B 35 7.602 -7.084 -4.901 1.00 0.00 C ATOM 521 C GLN B 35 6.780 -6.891 -3.646 1.00 0.00 C ATOM 522 O GLN B 35 7.298 -6.842 -2.527 1.00 0.00 O ATOM 523 CB GLN B 35 7.729 -8.575 -5.190 1.00 0.00 C ATOM 524 CG GLN B 35 8.476 -8.886 -6.473 1.00 0.00 C ATOM 525 CD GLN B 35 8.519 -10.369 -6.773 1.00 0.00 C ATOM 526 OE1 GLN B 35 7.633 -10.906 -7.439 1.00 0.00 O ATOM 527 NE2 GLN B 35 9.552 -11.043 -6.294 1.00 0.00 N ATOM 0 H GLN B 35 9.623 -6.998 -4.345 1.00 0.00 H new ATOM 0 HA GLN B 35 7.092 -6.604 -5.736 1.00 0.00 H new ATOM 0 HB2 GLN B 35 8.241 -9.055 -4.356 1.00 0.00 H new ATOM 0 HB3 GLN B 35 6.732 -9.012 -5.246 1.00 0.00 H new ATOM 0 HG2 GLN B 35 7.999 -8.364 -7.303 1.00 0.00 H new ATOM 0 HG3 GLN B 35 9.494 -8.504 -6.399 1.00 0.00 H new ATOM 0 HE21 GLN B 35 10.265 -10.562 -5.747 1.00 0.00 H new ATOM 0 HE22 GLN B 35 9.635 -12.044 -6.472 1.00 0.00 H new ATOM 536 N LEU B 36 5.490 -6.807 -3.862 1.00 0.00 N ATOM 537 CA LEU B 36 4.516 -6.737 -2.795 1.00 0.00 C ATOM 538 C LEU B 36 3.471 -7.798 -3.057 1.00 0.00 C ATOM 539 O LEU B 36 2.570 -7.623 -3.881 1.00 0.00 O ATOM 540 CB LEU B 36 3.856 -5.368 -2.731 1.00 0.00 C ATOM 541 CG LEU B 36 2.964 -5.127 -1.510 1.00 0.00 C ATOM 542 CD1 LEU B 36 3.776 -5.181 -0.224 1.00 0.00 C ATOM 543 CD2 LEU B 36 2.246 -3.792 -1.632 1.00 0.00 C ATOM 0 H LEU B 36 5.079 -6.785 -4.795 1.00 0.00 H new ATOM 0 HA LEU B 36 5.013 -6.902 -1.839 1.00 0.00 H new ATOM 0 HB2 LEU B 36 4.635 -4.606 -2.747 1.00 0.00 H new ATOM 0 HB3 LEU B 36 3.257 -5.230 -3.631 1.00 0.00 H new ATOM 0 HG LEU B 36 2.218 -5.921 -1.472 1.00 0.00 H new ATOM 0 HD11 LEU B 36 3.119 -5.007 0.628 1.00 0.00 H new ATOM 0 HD12 LEU B 36 4.242 -6.162 -0.129 1.00 0.00 H new ATOM 0 HD13 LEU B 36 4.549 -4.413 -0.249 1.00 0.00 H new ATOM 0 HD21 LEU B 36 1.616 -3.636 -0.756 1.00 0.00 H new ATOM 0 HD22 LEU B 36 2.980 -2.989 -1.699 1.00 0.00 H new ATOM 0 HD23 LEU B 36 1.626 -3.793 -2.529 1.00 0.00 H new ATOM 555 N LYS B 37 3.618 -8.896 -2.373 1.00 0.00 N ATOM 556 CA LYS B 37 2.811 -10.072 -2.629 1.00 0.00 C ATOM 557 C LYS B 37 1.643 -10.085 -1.670 1.00 0.00 C ATOM 558 O LYS B 37 1.807 -9.785 -0.489 1.00 0.00 O ATOM 559 CB LYS B 37 3.655 -11.335 -2.467 1.00 0.00 C ATOM 560 CG LYS B 37 5.153 -11.082 -2.617 1.00 0.00 C ATOM 561 CD LYS B 37 5.950 -12.358 -2.803 1.00 0.00 C ATOM 562 CE LYS B 37 5.593 -13.429 -1.777 1.00 0.00 C ATOM 563 NZ LYS B 37 5.791 -12.969 -0.378 1.00 0.00 N1+ ATOM 0 H LYS B 37 4.298 -9.009 -1.621 1.00 0.00 H new ATOM 0 HA LYS B 37 2.436 -10.045 -3.652 1.00 0.00 H new ATOM 0 HB2 LYS B 37 3.463 -11.769 -1.486 1.00 0.00 H new ATOM 0 HB3 LYS B 37 3.342 -12.071 -3.208 1.00 0.00 H new ATOM 0 HG2 LYS B 37 5.322 -10.426 -3.471 1.00 0.00 H new ATOM 0 HG3 LYS B 37 5.518 -10.557 -1.734 1.00 0.00 H new ATOM 0 HD2 LYS B 37 5.775 -12.748 -3.806 1.00 0.00 H new ATOM 0 HD3 LYS B 37 7.014 -12.131 -2.731 1.00 0.00 H new ATOM 0 HE2 LYS B 37 4.553 -13.726 -1.914 1.00 0.00 H new ATOM 0 HE3 LYS B 37 6.203 -14.314 -1.954 1.00 0.00 H new ATOM 0 HZ1 LYS B 37 5.970 -13.790 0.235 1.00 0.00 H new ATOM 0 HZ2 LYS B 37 6.605 -12.322 -0.337 1.00 0.00 H new ATOM 0 HZ3 LYS B 37 4.937 -12.472 -0.052 1.00 0.00 H new ATOM 577 N ALA B 38 0.472 -10.425 -2.162 1.00 0.00 N ATOM 578 CA ALA B 38 -0.729 -10.275 -1.367 1.00 0.00 C ATOM 579 C ALA B 38 -1.878 -11.123 -1.897 1.00 0.00 C ATOM 580 O ALA B 38 -1.900 -11.486 -3.074 1.00 0.00 O ATOM 581 CB ALA B 38 -1.134 -8.812 -1.342 1.00 0.00 C ATOM 0 H ALA B 38 0.325 -10.803 -3.098 1.00 0.00 H new ATOM 0 HA ALA B 38 -0.509 -10.623 -0.358 1.00 0.00 H new ATOM 0 HB1 ALA B 38 -2.038 -8.695 -0.744 1.00 0.00 H new ATOM 0 HB2 ALA B 38 -0.330 -8.219 -0.905 1.00 0.00 H new ATOM 0 HB3 ALA B 38 -1.325 -8.470 -2.359 1.00 0.00 H new ATOM 587 N THR B 39 -2.826 -11.436 -1.025 1.00 0.00 N ATOM 588 CA THR B 39 -4.058 -12.089 -1.432 1.00 0.00 C ATOM 589 C THR B 39 -5.227 -11.428 -0.725 1.00 0.00 C ATOM 590 O THR B 39 -5.072 -10.955 0.402 1.00 0.00 O ATOM 591 CB THR B 39 -4.034 -13.599 -1.130 1.00 0.00 C ATOM 592 OG1 THR B 39 -3.050 -13.890 -0.124 1.00 0.00 O ATOM 593 CG2 THR B 39 -3.734 -14.398 -2.390 1.00 0.00 C ATOM 0 H THR B 39 -2.763 -11.246 -0.025 1.00 0.00 H new ATOM 0 HA THR B 39 -4.165 -11.980 -2.511 1.00 0.00 H new ATOM 0 HB THR B 39 -5.019 -13.887 -0.762 1.00 0.00 H new ATOM 0 HG1 THR B 39 -3.091 -13.209 0.580 1.00 0.00 H new ATOM 0 HG21 THR B 39 -3.722 -15.462 -2.152 1.00 0.00 H new ATOM 0 HG22 THR B 39 -4.503 -14.202 -3.137 1.00 0.00 H new ATOM 0 HG23 THR B 39 -2.761 -14.104 -2.785 1.00 0.00 H new ATOM 601 N SER B 40 -6.380 -11.366 -1.372 1.00 0.00 N ATOM 602 CA SER B 40 -7.479 -10.597 -0.824 1.00 0.00 C ATOM 603 C SER B 40 -8.826 -11.301 -0.968 1.00 0.00 C ATOM 604 O SER B 40 -8.976 -12.245 -1.747 1.00 0.00 O ATOM 605 CB SER B 40 -7.533 -9.220 -1.486 1.00 0.00 C ATOM 606 OG SER B 40 -8.321 -8.323 -0.723 1.00 0.00 O ATOM 0 H SER B 40 -6.575 -11.830 -2.259 1.00 0.00 H new ATOM 0 HA SER B 40 -7.291 -10.489 0.244 1.00 0.00 H new ATOM 0 HB2 SER B 40 -6.523 -8.823 -1.592 1.00 0.00 H new ATOM 0 HB3 SER B 40 -7.947 -9.311 -2.490 1.00 0.00 H new ATOM 0 HG SER B 40 -8.384 -8.647 0.200 1.00 0.00 H new ATOM 612 N SER B 41 -9.792 -10.829 -0.188 1.00 0.00 N ATOM 613 CA SER B 41 -11.158 -11.318 -0.241 1.00 0.00 C ATOM 614 C SER B 41 -12.128 -10.145 -0.194 1.00 0.00 C ATOM 615 O SER B 41 -11.773 -9.044 0.229 1.00 0.00 O ATOM 616 CB SER B 41 -11.425 -12.275 0.919 1.00 0.00 C ATOM 617 OG SER B 41 -12.754 -12.772 0.891 1.00 0.00 O ATOM 0 H SER B 41 -9.645 -10.092 0.502 1.00 0.00 H new ATOM 0 HA SER B 41 -11.304 -11.861 -1.175 1.00 0.00 H new ATOM 0 HB2 SER B 41 -10.723 -13.108 0.873 1.00 0.00 H new ATOM 0 HB3 SER B 41 -11.248 -11.761 1.864 1.00 0.00 H new ATOM 0 HG SER B 41 -12.891 -13.382 1.645 1.00 0.00 H new ATOM 623 N ASN B 42 -13.359 -10.401 -0.596 1.00 0.00 N ATOM 624 CA ASN B 42 -14.369 -9.363 -0.720 1.00 0.00 C ATOM 625 C ASN B 42 -15.464 -9.595 0.299 1.00 0.00 C ATOM 626 O ASN B 42 -16.625 -9.246 0.087 1.00 0.00 O ATOM 627 CB ASN B 42 -14.970 -9.348 -2.128 1.00 0.00 C ATOM 628 CG ASN B 42 -13.935 -9.117 -3.211 1.00 0.00 C ATOM 629 OD1 ASN B 42 -13.384 -10.064 -3.773 1.00 0.00 O ATOM 630 ND2 ASN B 42 -13.667 -7.860 -3.509 1.00 0.00 N ATOM 0 H ASN B 42 -13.688 -11.333 -0.846 1.00 0.00 H new ATOM 0 HA ASN B 42 -13.895 -8.398 -0.539 1.00 0.00 H new ATOM 0 HB2 ASN B 42 -15.475 -10.296 -2.312 1.00 0.00 H new ATOM 0 HB3 ASN B 42 -15.728 -8.567 -2.185 1.00 0.00 H new ATOM 0 HD21 ASN B 42 -12.979 -7.642 -4.230 1.00 0.00 H new ATOM 0 HD22 ASN B 42 -14.147 -7.106 -3.018 1.00 0.00 H new ATOM 637 N ALA B 43 -15.068 -10.175 1.420 1.00 0.00 N ATOM 638 CA ALA B 43 -16.004 -10.606 2.455 1.00 0.00 C ATOM 639 C ALA B 43 -16.567 -9.443 3.279 1.00 0.00 C ATOM 640 O ALA B 43 -17.043 -9.644 4.397 1.00 0.00 O ATOM 641 CB ALA B 43 -15.326 -11.617 3.368 1.00 0.00 C ATOM 0 H ALA B 43 -14.090 -10.362 1.642 1.00 0.00 H new ATOM 0 HA ALA B 43 -16.853 -11.066 1.949 1.00 0.00 H new ATOM 0 HB1 ALA B 43 -16.026 -11.937 4.140 1.00 0.00 H new ATOM 0 HB2 ALA B 43 -15.010 -12.481 2.783 1.00 0.00 H new ATOM 0 HB3 ALA B 43 -14.455 -11.158 3.836 1.00 0.00 H new ATOM 647 N GLY B 44 -16.525 -8.235 2.735 1.00 0.00 N ATOM 648 CA GLY B 44 -17.080 -7.094 3.438 1.00 0.00 C ATOM 649 C GLY B 44 -16.477 -5.782 2.990 1.00 0.00 C ATOM 650 O GLY B 44 -17.163 -4.758 2.975 1.00 0.00 O ATOM 0 H GLY B 44 -16.119 -8.024 1.824 1.00 0.00 H new ATOM 0 HA2 GLY B 44 -18.158 -7.066 3.282 1.00 0.00 H new ATOM 0 HA3 GLY B 44 -16.916 -7.217 4.509 1.00 0.00 H new ATOM 654 N TYR B 45 -15.197 -5.835 2.616 1.00 0.00 N ATOM 655 CA TYR B 45 -14.420 -4.689 2.162 1.00 0.00 C ATOM 656 C TYR B 45 -14.623 -3.434 3.026 1.00 0.00 C ATOM 657 O TYR B 45 -14.955 -3.532 4.204 1.00 0.00 O ATOM 658 CB TYR B 45 -14.670 -4.417 0.675 1.00 0.00 C ATOM 659 CG TYR B 45 -16.088 -4.012 0.297 1.00 0.00 C ATOM 660 CD1 TYR B 45 -16.567 -2.734 0.556 1.00 0.00 C ATOM 661 CD2 TYR B 45 -16.939 -4.912 -0.329 1.00 0.00 C ATOM 662 CE1 TYR B 45 -17.847 -2.362 0.209 1.00 0.00 C ATOM 663 CE2 TYR B 45 -18.223 -4.549 -0.683 1.00 0.00 C ATOM 664 CZ TYR B 45 -18.673 -3.273 -0.411 1.00 0.00 C ATOM 665 OH TYR B 45 -19.951 -2.909 -0.761 1.00 0.00 O ATOM 0 H TYR B 45 -14.661 -6.703 2.622 1.00 0.00 H new ATOM 0 HA TYR B 45 -13.369 -4.952 2.285 1.00 0.00 H new ATOM 0 HB2 TYR B 45 -13.990 -3.629 0.352 1.00 0.00 H new ATOM 0 HB3 TYR B 45 -14.408 -5.314 0.113 1.00 0.00 H new ATOM 0 HD1 TYR B 45 -15.921 -2.016 1.040 1.00 0.00 H new ATOM 0 HD2 TYR B 45 -16.591 -5.912 -0.543 1.00 0.00 H new ATOM 0 HE1 TYR B 45 -18.200 -1.364 0.421 1.00 0.00 H new ATOM 0 HE2 TYR B 45 -18.873 -5.261 -1.171 1.00 0.00 H new ATOM 0 HH TYR B 45 -20.401 -3.667 -1.190 1.00 0.00 H new ATOM 675 N GLY B 46 -14.351 -2.264 2.454 1.00 0.00 N ATOM 676 CA GLY B 46 -14.514 -1.017 3.173 1.00 0.00 C ATOM 677 C GLY B 46 -15.971 -0.706 3.490 1.00 0.00 C ATOM 678 O GLY B 46 -16.697 -0.165 2.657 1.00 0.00 O ATOM 0 H GLY B 46 -14.017 -2.160 1.496 1.00 0.00 H new ATOM 0 HA2 GLY B 46 -13.946 -1.061 4.102 1.00 0.00 H new ATOM 0 HA3 GLY B 46 -14.094 -0.204 2.581 1.00 0.00 H new ATOM 682 N ILE B 47 -16.396 -1.059 4.699 1.00 0.00 N ATOM 683 CA ILE B 47 -17.786 -0.871 5.111 1.00 0.00 C ATOM 684 C ILE B 47 -17.967 0.481 5.779 1.00 0.00 C ATOM 685 O ILE B 47 -18.580 1.391 5.223 1.00 0.00 O ATOM 686 CB ILE B 47 -18.250 -1.934 6.132 1.00 0.00 C ATOM 687 CG1 ILE B 47 -17.359 -3.175 6.109 1.00 0.00 C ATOM 688 CG2 ILE B 47 -19.692 -2.323 5.860 1.00 0.00 C ATOM 689 CD1 ILE B 47 -16.175 -3.096 7.056 1.00 0.00 C ATOM 0 H ILE B 47 -15.799 -1.477 5.412 1.00 0.00 H new ATOM 0 HA ILE B 47 -18.378 -0.953 4.199 1.00 0.00 H new ATOM 0 HB ILE B 47 -18.173 -1.492 7.125 1.00 0.00 H new ATOM 0 HG12 ILE B 47 -17.960 -4.047 6.366 1.00 0.00 H new ATOM 0 HG13 ILE B 47 -16.991 -3.328 5.094 1.00 0.00 H new ATOM 0 HG21 ILE B 47 -20.010 -3.073 6.585 1.00 0.00 H new ATOM 0 HG22 ILE B 47 -20.329 -1.443 5.946 1.00 0.00 H new ATOM 0 HG23 ILE B 47 -19.774 -2.734 4.854 1.00 0.00 H new ATOM 0 HD11 ILE B 47 -15.590 -4.013 6.984 1.00 0.00 H new ATOM 0 HD12 ILE B 47 -15.550 -2.244 6.787 1.00 0.00 H new ATOM 0 HD13 ILE B 47 -16.534 -2.974 8.078 1.00 0.00 H new ATOM 701 N SER B 48 -17.424 0.590 6.983 1.00 0.00 N ATOM 702 CA SER B 48 -17.480 1.822 7.758 1.00 0.00 C ATOM 703 C SER B 48 -16.747 2.951 7.050 1.00 0.00 C ATOM 704 O SER B 48 -17.250 4.069 6.927 1.00 0.00 O ATOM 705 CB SER B 48 -16.840 1.585 9.116 1.00 0.00 C ATOM 706 OG SER B 48 -17.556 0.614 9.862 1.00 0.00 O ATOM 0 H SER B 48 -16.933 -0.172 7.450 1.00 0.00 H new ATOM 0 HA SER B 48 -18.525 2.110 7.874 1.00 0.00 H new ATOM 0 HB2 SER B 48 -15.809 1.256 8.982 1.00 0.00 H new ATOM 0 HB3 SER B 48 -16.806 2.522 9.673 1.00 0.00 H new ATOM 0 HG SER B 48 -17.120 0.481 10.730 1.00 0.00 H new ATOM 712 N TYR B 49 -15.542 2.618 6.627 1.00 0.00 N ATOM 713 CA TYR B 49 -14.642 3.511 5.902 1.00 0.00 C ATOM 714 C TYR B 49 -15.379 4.379 4.887 1.00 0.00 C ATOM 715 O TYR B 49 -16.023 3.872 3.966 1.00 0.00 O ATOM 716 CB TYR B 49 -13.583 2.674 5.182 1.00 0.00 C ATOM 717 CG TYR B 49 -12.974 1.600 6.056 1.00 0.00 C ATOM 718 CD1 TYR B 49 -13.639 0.398 6.265 1.00 0.00 C ATOM 719 CD2 TYR B 49 -11.750 1.789 6.682 1.00 0.00 C ATOM 720 CE1 TYR B 49 -13.107 -0.581 7.071 1.00 0.00 C ATOM 721 CE2 TYR B 49 -11.206 0.809 7.489 1.00 0.00 C ATOM 722 CZ TYR B 49 -11.891 -0.373 7.680 1.00 0.00 C ATOM 723 OH TYR B 49 -11.359 -1.351 8.484 1.00 0.00 O ATOM 0 H TYR B 49 -15.145 1.691 6.781 1.00 0.00 H new ATOM 0 HA TYR B 49 -14.180 4.180 6.628 1.00 0.00 H new ATOM 0 HB2 TYR B 49 -14.033 2.208 4.305 1.00 0.00 H new ATOM 0 HB3 TYR B 49 -12.792 3.332 4.823 1.00 0.00 H new ATOM 0 HD1 TYR B 49 -14.592 0.229 5.785 1.00 0.00 H new ATOM 0 HD2 TYR B 49 -11.215 2.716 6.536 1.00 0.00 H new ATOM 0 HE1 TYR B 49 -13.640 -1.507 7.225 1.00 0.00 H new ATOM 0 HE2 TYR B 49 -10.251 0.967 7.967 1.00 0.00 H new ATOM 0 HH TYR B 49 -12.050 -2.013 8.695 1.00 0.00 H new ATOM 733 N GLU B 50 -15.289 5.688 5.076 1.00 0.00 N ATOM 734 CA GLU B 50 -15.863 6.646 4.140 1.00 0.00 C ATOM 735 C GLU B 50 -15.013 6.726 2.883 1.00 0.00 C ATOM 736 O GLU B 50 -14.084 5.940 2.698 1.00 0.00 O ATOM 737 CB GLU B 50 -15.936 8.032 4.773 1.00 0.00 C ATOM 738 CG GLU B 50 -16.751 8.089 6.047 1.00 0.00 C ATOM 739 CD GLU B 50 -16.728 9.464 6.672 1.00 0.00 C ATOM 740 OE1 GLU B 50 -15.741 9.787 7.364 1.00 0.00 O1- ATOM 741 OE2 GLU B 50 -17.691 10.232 6.468 1.00 0.00 O ATOM 0 H GLU B 50 -14.820 6.114 5.876 1.00 0.00 H new ATOM 0 HA GLU B 50 -16.868 6.309 3.885 1.00 0.00 H new ATOM 0 HB2 GLU B 50 -14.924 8.376 4.987 1.00 0.00 H new ATOM 0 HB3 GLU B 50 -16.363 8.727 4.050 1.00 0.00 H new ATOM 0 HG2 GLU B 50 -17.781 7.806 5.831 1.00 0.00 H new ATOM 0 HG3 GLU B 50 -16.363 7.361 6.759 1.00 0.00 H new ATOM 748 N ASP B 51 -15.315 7.685 2.027 1.00 0.00 N ATOM 749 CA ASP B 51 -14.513 7.896 0.841 1.00 0.00 C ATOM 750 C ASP B 51 -13.257 8.668 1.213 1.00 0.00 C ATOM 751 O ASP B 51 -13.302 9.845 1.565 1.00 0.00 O ATOM 752 CB ASP B 51 -15.312 8.620 -0.255 1.00 0.00 C ATOM 753 CG ASP B 51 -15.765 10.018 0.133 1.00 0.00 C ATOM 754 OD1 ASP B 51 -16.573 10.156 1.080 1.00 0.00 O1- ATOM 755 OD2 ASP B 51 -15.318 10.990 -0.514 1.00 0.00 O ATOM 0 H ASP B 51 -16.103 8.324 2.131 1.00 0.00 H new ATOM 0 HA ASP B 51 -14.225 6.927 0.432 1.00 0.00 H new ATOM 0 HB2 ASP B 51 -14.700 8.684 -1.155 1.00 0.00 H new ATOM 0 HB3 ASP B 51 -16.188 8.022 -0.507 1.00 0.00 H new ATOM 760 N LYS B 52 -12.138 7.978 1.165 1.00 0.00 N ATOM 761 CA LYS B 52 -10.854 8.575 1.492 1.00 0.00 C ATOM 762 C LYS B 52 -9.850 8.230 0.414 1.00 0.00 C ATOM 763 O LYS B 52 -9.627 7.059 0.123 1.00 0.00 O ATOM 764 CB LYS B 52 -10.333 8.064 2.833 1.00 0.00 C ATOM 765 CG LYS B 52 -11.367 8.049 3.944 1.00 0.00 C ATOM 766 CD LYS B 52 -10.781 7.491 5.225 1.00 0.00 C ATOM 767 CE LYS B 52 -11.854 7.244 6.268 1.00 0.00 C ATOM 768 NZ LYS B 52 -11.282 6.716 7.533 1.00 0.00 N1+ ATOM 0 H LYS B 52 -12.088 6.994 0.901 1.00 0.00 H new ATOM 0 HA LYS B 52 -10.989 9.655 1.558 1.00 0.00 H new ATOM 0 HB2 LYS B 52 -9.948 7.053 2.698 1.00 0.00 H new ATOM 0 HB3 LYS B 52 -9.493 8.686 3.143 1.00 0.00 H new ATOM 0 HG2 LYS B 52 -11.733 9.061 4.118 1.00 0.00 H new ATOM 0 HG3 LYS B 52 -12.224 7.448 3.640 1.00 0.00 H new ATOM 0 HD2 LYS B 52 -10.259 6.558 5.011 1.00 0.00 H new ATOM 0 HD3 LYS B 52 -10.041 8.187 5.621 1.00 0.00 H new ATOM 0 HE2 LYS B 52 -12.386 8.174 6.470 1.00 0.00 H new ATOM 0 HE3 LYS B 52 -12.585 6.537 5.877 1.00 0.00 H new ATOM 0 HZ1 LYS B 52 -12.046 6.560 8.221 1.00 0.00 H new ATOM 0 HZ2 LYS B 52 -10.796 5.816 7.345 1.00 0.00 H new ATOM 0 HZ3 LYS B 52 -10.603 7.402 7.920 1.00 0.00 H new ATOM 782 N ASN B 53 -9.257 9.243 -0.174 1.00 0.00 N ATOM 783 CA ASN B 53 -8.304 9.044 -1.249 1.00 0.00 C ATOM 784 C ASN B 53 -6.908 9.413 -0.803 1.00 0.00 C ATOM 785 O ASN B 53 -6.631 10.557 -0.437 1.00 0.00 O ATOM 786 CB ASN B 53 -8.692 9.847 -2.493 1.00 0.00 C ATOM 787 CG ASN B 53 -9.223 11.233 -2.172 1.00 0.00 C ATOM 788 OD1 ASN B 53 -10.423 11.416 -1.960 1.00 0.00 O ATOM 789 ND2 ASN B 53 -8.345 12.218 -2.146 1.00 0.00 N ATOM 0 H ASN B 53 -9.417 10.220 0.073 1.00 0.00 H new ATOM 0 HA ASN B 53 -8.319 7.986 -1.510 1.00 0.00 H new ATOM 0 HB2 ASN B 53 -7.822 9.940 -3.143 1.00 0.00 H new ATOM 0 HB3 ASN B 53 -9.449 9.296 -3.051 1.00 0.00 H new ATOM 0 HD21 ASN B 53 -8.652 13.170 -1.945 1.00 0.00 H new ATOM 0 HD22 ASN B 53 -7.359 12.028 -2.327 1.00 0.00 H new ATOM 796 N TRP B 54 -6.030 8.435 -0.828 1.00 0.00 N ATOM 797 CA TRP B 54 -4.652 8.656 -0.489 1.00 0.00 C ATOM 798 C TRP B 54 -3.772 7.804 -1.381 1.00 0.00 C ATOM 799 O TRP B 54 -4.262 6.916 -2.079 1.00 0.00 O ATOM 800 CB TRP B 54 -4.403 8.380 0.999 1.00 0.00 C ATOM 801 CG TRP B 54 -4.594 6.962 1.438 1.00 0.00 C ATOM 802 CD1 TRP B 54 -5.776 6.328 1.698 1.00 0.00 C ATOM 803 CD2 TRP B 54 -3.559 6.014 1.705 1.00 0.00 C ATOM 804 NE1 TRP B 54 -5.540 5.037 2.105 1.00 0.00 N ATOM 805 CE2 TRP B 54 -4.183 4.817 2.115 1.00 0.00 C ATOM 806 CE3 TRP B 54 -2.162 6.061 1.629 1.00 0.00 C ATOM 807 CZ2 TRP B 54 -3.451 3.675 2.449 1.00 0.00 C ATOM 808 CZ3 TRP B 54 -1.444 4.928 1.959 1.00 0.00 C ATOM 809 CH2 TRP B 54 -2.087 3.752 2.363 1.00 0.00 C ATOM 0 H TRP B 54 -6.254 7.473 -1.083 1.00 0.00 H new ATOM 0 HA TRP B 54 -4.399 9.703 -0.659 1.00 0.00 H new ATOM 0 HB2 TRP B 54 -3.383 8.681 1.240 1.00 0.00 H new ATOM 0 HB3 TRP B 54 -5.069 9.015 1.584 1.00 0.00 H new ATOM 0 HD1 TRP B 54 -6.753 6.776 1.598 1.00 0.00 H new ATOM 0 HE1 TRP B 54 -6.254 4.354 2.358 1.00 0.00 H new ATOM 0 HE3 TRP B 54 -1.656 6.964 1.319 1.00 0.00 H new ATOM 0 HZ2 TRP B 54 -3.942 2.766 2.763 1.00 0.00 H new ATOM 0 HZ3 TRP B 54 -0.366 4.950 1.904 1.00 0.00 H new ATOM 0 HH2 TRP B 54 -1.493 2.885 2.613 1.00 0.00 H new ATOM 820 N GLY B 55 -2.487 8.091 -1.388 1.00 0.00 N ATOM 821 CA GLY B 55 -1.600 7.409 -2.294 1.00 0.00 C ATOM 822 C GLY B 55 -0.363 6.887 -1.610 1.00 0.00 C ATOM 823 O GLY B 55 0.110 7.468 -0.631 1.00 0.00 O ATOM 0 H GLY B 55 -2.042 8.782 -0.784 1.00 0.00 H new ATOM 0 HA2 GLY B 55 -2.131 6.579 -2.760 1.00 0.00 H new ATOM 0 HA3 GLY B 55 -1.309 8.090 -3.093 1.00 0.00 H new ATOM 827 N ILE B 56 0.141 5.770 -2.103 1.00 0.00 N ATOM 828 CA ILE B 56 1.432 5.274 -1.681 1.00 0.00 C ATOM 829 C ILE B 56 2.449 5.562 -2.769 1.00 0.00 C ATOM 830 O ILE B 56 2.122 5.530 -3.961 1.00 0.00 O ATOM 831 CB ILE B 56 1.396 3.764 -1.411 1.00 0.00 C ATOM 832 CG1 ILE B 56 0.182 3.412 -0.559 1.00 0.00 C ATOM 833 CG2 ILE B 56 2.674 3.321 -0.712 1.00 0.00 C ATOM 834 CD1 ILE B 56 -0.128 1.939 -0.544 1.00 0.00 C ATOM 0 H ILE B 56 -0.328 5.190 -2.798 1.00 0.00 H new ATOM 0 HA ILE B 56 1.706 5.776 -0.753 1.00 0.00 H new ATOM 0 HB ILE B 56 1.321 3.241 -2.364 1.00 0.00 H new ATOM 0 HG12 ILE B 56 0.353 3.751 0.463 1.00 0.00 H new ATOM 0 HG13 ILE B 56 -0.686 3.955 -0.933 1.00 0.00 H new ATOM 0 HG21 ILE B 56 2.634 2.248 -0.527 1.00 0.00 H new ATOM 0 HG22 ILE B 56 3.532 3.549 -1.344 1.00 0.00 H new ATOM 0 HG23 ILE B 56 2.772 3.849 0.236 1.00 0.00 H new ATOM 0 HD11 ILE B 56 -1.003 1.758 0.081 1.00 0.00 H new ATOM 0 HD12 ILE B 56 -0.331 1.599 -1.560 1.00 0.00 H new ATOM 0 HD13 ILE B 56 0.725 1.392 -0.142 1.00 0.00 H new ATOM 846 N PHE B 57 3.669 5.862 -2.367 1.00 0.00 N ATOM 847 CA PHE B 57 4.689 6.278 -3.312 1.00 0.00 C ATOM 848 C PHE B 57 5.933 5.410 -3.207 1.00 0.00 C ATOM 849 O PHE B 57 6.326 5.024 -2.111 1.00 0.00 O ATOM 850 CB PHE B 57 4.991 7.755 -3.065 1.00 0.00 C ATOM 851 CG PHE B 57 3.727 8.558 -3.115 1.00 0.00 C ATOM 852 CD1 PHE B 57 3.209 8.963 -4.329 1.00 0.00 C ATOM 853 CD2 PHE B 57 3.020 8.838 -1.961 1.00 0.00 C ATOM 854 CE1 PHE B 57 2.010 9.645 -4.393 1.00 0.00 C ATOM 855 CE2 PHE B 57 1.818 9.506 -2.019 1.00 0.00 C ATOM 856 CZ PHE B 57 1.312 9.912 -3.234 1.00 0.00 C ATOM 0 H PHE B 57 3.978 5.826 -1.396 1.00 0.00 H new ATOM 0 HA PHE B 57 4.327 6.151 -4.332 1.00 0.00 H new ATOM 0 HB2 PHE B 57 5.470 7.878 -2.094 1.00 0.00 H new ATOM 0 HB3 PHE B 57 5.692 8.121 -3.815 1.00 0.00 H new ATOM 0 HD1 PHE B 57 3.748 8.744 -5.239 1.00 0.00 H new ATOM 0 HD2 PHE B 57 3.415 8.530 -1.004 1.00 0.00 H new ATOM 0 HE1 PHE B 57 1.620 9.968 -5.347 1.00 0.00 H new ATOM 0 HE2 PHE B 57 1.271 9.712 -1.111 1.00 0.00 H new ATOM 0 HZ PHE B 57 0.370 10.439 -3.279 1.00 0.00 H new ATOM 866 N VAL B 58 6.546 5.091 -4.354 1.00 0.00 N ATOM 867 CA VAL B 58 7.716 4.245 -4.362 1.00 0.00 C ATOM 868 C VAL B 58 8.837 4.936 -5.111 1.00 0.00 C ATOM 869 O VAL B 58 8.619 5.520 -6.169 1.00 0.00 O ATOM 870 CB VAL B 58 7.435 2.856 -4.977 1.00 0.00 C ATOM 871 CG1 VAL B 58 7.192 2.941 -6.480 1.00 0.00 C ATOM 872 CG2 VAL B 58 8.582 1.912 -4.668 1.00 0.00 C ATOM 0 H VAL B 58 6.244 5.410 -5.275 1.00 0.00 H new ATOM 0 HA VAL B 58 8.011 4.078 -3.326 1.00 0.00 H new ATOM 0 HB VAL B 58 6.522 2.466 -4.527 1.00 0.00 H new ATOM 0 HG11 VAL B 58 6.998 1.943 -6.874 1.00 0.00 H new ATOM 0 HG12 VAL B 58 6.331 3.581 -6.674 1.00 0.00 H new ATOM 0 HG13 VAL B 58 8.072 3.359 -6.968 1.00 0.00 H new ATOM 0 HG21 VAL B 58 8.377 0.935 -5.105 1.00 0.00 H new ATOM 0 HG22 VAL B 58 9.505 2.311 -5.089 1.00 0.00 H new ATOM 0 HG23 VAL B 58 8.689 1.811 -3.588 1.00 0.00 H new ATOM 882 N ASN B 59 10.030 4.897 -4.526 1.00 0.00 N ATOM 883 CA ASN B 59 11.204 5.605 -5.039 1.00 0.00 C ATOM 884 C ASN B 59 10.993 7.103 -4.888 1.00 0.00 C ATOM 885 O ASN B 59 11.853 7.907 -5.239 1.00 0.00 O ATOM 886 CB ASN B 59 11.483 5.286 -6.512 1.00 0.00 C ATOM 887 CG ASN B 59 11.323 3.820 -6.862 1.00 0.00 C ATOM 888 OD1 ASN B 59 12.221 3.007 -6.657 1.00 0.00 O ATOM 889 ND2 ASN B 59 10.174 3.489 -7.423 1.00 0.00 N ATOM 0 H ASN B 59 10.214 4.368 -3.673 1.00 0.00 H new ATOM 0 HA ASN B 59 12.065 5.272 -4.459 1.00 0.00 H new ATOM 0 HB2 ASN B 59 10.809 5.874 -7.135 1.00 0.00 H new ATOM 0 HB3 ASN B 59 12.498 5.599 -6.756 1.00 0.00 H new ATOM 0 HD21 ASN B 59 10.004 2.524 -7.706 1.00 0.00 H new ATOM 0 HD22 ASN B 59 9.457 4.199 -7.574 1.00 0.00 H new ATOM 896 N GLY B 60 9.845 7.455 -4.329 1.00 0.00 N ATOM 897 CA GLY B 60 9.439 8.830 -4.254 1.00 0.00 C ATOM 898 C GLY B 60 8.394 9.164 -5.310 1.00 0.00 C ATOM 899 O GLY B 60 7.903 10.289 -5.388 1.00 0.00 O ATOM 0 H GLY B 60 9.182 6.795 -3.922 1.00 0.00 H new ATOM 0 HA2 GLY B 60 9.035 9.037 -3.263 1.00 0.00 H new ATOM 0 HA3 GLY B 60 10.308 9.474 -4.385 1.00 0.00 H new ATOM 903 N GLU B 61 8.062 8.161 -6.107 1.00 0.00 N ATOM 904 CA GLU B 61 7.104 8.270 -7.197 1.00 0.00 C ATOM 905 C GLU B 61 5.805 7.617 -6.790 1.00 0.00 C ATOM 906 O GLU B 61 5.724 7.082 -5.715 1.00 0.00 O ATOM 907 CB GLU B 61 7.656 7.552 -8.418 1.00 0.00 C ATOM 908 CG GLU B 61 8.512 8.420 -9.320 1.00 0.00 C ATOM 909 CD GLU B 61 9.176 7.618 -10.417 1.00 0.00 C ATOM 910 OE1 GLU B 61 10.271 7.066 -10.177 1.00 0.00 O1- ATOM 911 OE2 GLU B 61 8.598 7.516 -11.519 1.00 0.00 O ATOM 0 H GLU B 61 8.460 7.227 -6.012 1.00 0.00 H new ATOM 0 HA GLU B 61 6.931 9.321 -7.428 1.00 0.00 H new ATOM 0 HB2 GLU B 61 8.248 6.699 -8.086 1.00 0.00 H new ATOM 0 HB3 GLU B 61 6.823 7.156 -8.999 1.00 0.00 H new ATOM 0 HG2 GLU B 61 7.894 9.200 -9.765 1.00 0.00 H new ATOM 0 HG3 GLU B 61 9.275 8.920 -8.724 1.00 0.00 H new ATOM 918 N LYS B 62 4.793 7.643 -7.630 1.00 0.00 N ATOM 919 CA LYS B 62 3.563 6.923 -7.324 1.00 0.00 C ATOM 920 C LYS B 62 3.833 5.416 -7.314 1.00 0.00 C ATOM 921 O LYS B 62 4.873 4.962 -7.787 1.00 0.00 O ATOM 922 CB LYS B 62 2.477 7.271 -8.350 1.00 0.00 C ATOM 923 CG LYS B 62 1.116 6.666 -8.041 1.00 0.00 C ATOM 924 CD LYS B 62 0.444 7.386 -6.888 1.00 0.00 C ATOM 925 CE LYS B 62 0.031 8.793 -7.282 1.00 0.00 C ATOM 926 NZ LYS B 62 -1.075 8.794 -8.276 1.00 0.00 N1+ ATOM 0 H LYS B 62 4.790 8.145 -8.518 1.00 0.00 H new ATOM 0 HA LYS B 62 3.210 7.221 -6.337 1.00 0.00 H new ATOM 0 HB2 LYS B 62 2.377 8.355 -8.404 1.00 0.00 H new ATOM 0 HB3 LYS B 62 2.799 6.931 -9.334 1.00 0.00 H new ATOM 0 HG2 LYS B 62 0.482 6.720 -8.926 1.00 0.00 H new ATOM 0 HG3 LYS B 62 1.232 5.610 -7.796 1.00 0.00 H new ATOM 0 HD2 LYS B 62 -0.433 6.824 -6.567 1.00 0.00 H new ATOM 0 HD3 LYS B 62 1.124 7.429 -6.037 1.00 0.00 H new ATOM 0 HE2 LYS B 62 -0.281 9.341 -6.393 1.00 0.00 H new ATOM 0 HE3 LYS B 62 0.891 9.320 -7.696 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 -1.633 9.665 -8.173 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 -0.679 8.748 -9.236 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 -1.688 7.969 -8.115 1.00 0.00 H new ATOM 940 N VAL B 63 2.944 4.662 -6.688 1.00 0.00 N ATOM 941 CA VAL B 63 2.937 3.212 -6.828 1.00 0.00 C ATOM 942 C VAL B 63 1.531 2.668 -6.606 1.00 0.00 C ATOM 943 O VAL B 63 1.206 1.557 -7.024 1.00 0.00 O ATOM 944 CB VAL B 63 3.918 2.524 -5.847 1.00 0.00 C ATOM 945 CG1 VAL B 63 3.477 2.689 -4.403 1.00 0.00 C ATOM 946 CG2 VAL B 63 4.082 1.051 -6.192 1.00 0.00 C ATOM 0 H VAL B 63 2.215 5.030 -6.076 1.00 0.00 H new ATOM 0 HA VAL B 63 3.267 2.987 -7.842 1.00 0.00 H new ATOM 0 HB VAL B 63 4.885 3.016 -5.954 1.00 0.00 H new ATOM 0 HG11 VAL B 63 4.191 2.193 -3.746 1.00 0.00 H new ATOM 0 HG12 VAL B 63 3.432 3.750 -4.155 1.00 0.00 H new ATOM 0 HG13 VAL B 63 2.491 2.243 -4.270 1.00 0.00 H new ATOM 0 HG21 VAL B 63 4.775 0.588 -5.490 1.00 0.00 H new ATOM 0 HG22 VAL B 63 3.115 0.553 -6.129 1.00 0.00 H new ATOM 0 HG23 VAL B 63 4.474 0.956 -7.205 1.00 0.00 H new ATOM 956 N TYR B 64 0.681 3.471 -5.981 1.00 0.00 N ATOM 957 CA TYR B 64 -0.618 2.989 -5.555 1.00 0.00 C ATOM 958 C TYR B 64 -1.560 4.159 -5.313 1.00 0.00 C ATOM 959 O TYR B 64 -1.227 5.101 -4.596 1.00 0.00 O ATOM 960 CB TYR B 64 -0.441 2.177 -4.277 1.00 0.00 C ATOM 961 CG TYR B 64 -1.422 1.044 -4.072 1.00 0.00 C ATOM 962 CD1 TYR B 64 -2.662 1.028 -4.692 1.00 0.00 C ATOM 963 CD2 TYR B 64 -1.096 -0.016 -3.234 1.00 0.00 C ATOM 964 CE1 TYR B 64 -3.547 -0.011 -4.481 1.00 0.00 C ATOM 965 CE2 TYR B 64 -1.978 -1.053 -3.015 1.00 0.00 C ATOM 966 CZ TYR B 64 -3.202 -1.044 -3.640 1.00 0.00 C ATOM 967 OH TYR B 64 -4.090 -2.064 -3.411 1.00 0.00 O ATOM 0 H TYR B 64 0.868 4.449 -5.761 1.00 0.00 H new ATOM 0 HA TYR B 64 -1.052 2.360 -6.332 1.00 0.00 H new ATOM 0 HB2 TYR B 64 0.568 1.764 -4.269 1.00 0.00 H new ATOM 0 HB3 TYR B 64 -0.515 2.854 -3.426 1.00 0.00 H new ATOM 0 HD1 TYR B 64 -2.940 1.839 -5.349 1.00 0.00 H new ATOM 0 HD2 TYR B 64 -0.133 -0.028 -2.745 1.00 0.00 H new ATOM 0 HE1 TYR B 64 -4.507 -0.013 -4.975 1.00 0.00 H new ATOM 0 HE2 TYR B 64 -1.709 -1.866 -2.357 1.00 0.00 H new ATOM 0 HH TYR B 64 -3.999 -2.375 -2.486 1.00 0.00 H new ATOM 977 N THR B 65 -2.721 4.089 -5.931 1.00 0.00 N ATOM 978 CA THR B 65 -3.739 5.123 -5.802 1.00 0.00 C ATOM 979 C THR B 65 -5.101 4.473 -5.585 1.00 0.00 C ATOM 980 O THR B 65 -5.483 3.576 -6.339 1.00 0.00 O ATOM 981 CB THR B 65 -3.798 6.002 -7.068 1.00 0.00 C ATOM 982 OG1 THR B 65 -2.468 6.338 -7.494 1.00 0.00 O ATOM 983 CG2 THR B 65 -4.587 7.276 -6.808 1.00 0.00 C ATOM 0 H THR B 65 -2.990 3.315 -6.538 1.00 0.00 H new ATOM 0 HA THR B 65 -3.481 5.752 -4.950 1.00 0.00 H new ATOM 0 HB THR B 65 -4.301 5.436 -7.852 1.00 0.00 H new ATOM 0 HG1 THR B 65 -2.421 6.310 -8.472 1.00 0.00 H new ATOM 0 HG21 THR B 65 -4.614 7.879 -7.716 1.00 0.00 H new ATOM 0 HG22 THR B 65 -5.604 7.020 -6.512 1.00 0.00 H new ATOM 0 HG23 THR B 65 -4.109 7.844 -6.010 1.00 0.00 H new ATOM 991 N PHE B 66 -5.830 4.903 -4.561 1.00 0.00 N ATOM 992 CA PHE B 66 -7.076 4.268 -4.219 1.00 0.00 C ATOM 993 C PHE B 66 -7.934 5.137 -3.326 1.00 0.00 C ATOM 994 O PHE B 66 -7.599 6.276 -2.995 1.00 0.00 O ATOM 995 CB PHE B 66 -6.827 2.933 -3.512 1.00 0.00 C ATOM 996 CG PHE B 66 -5.679 2.916 -2.555 1.00 0.00 C ATOM 997 CD1 PHE B 66 -5.331 4.012 -1.788 1.00 0.00 C ATOM 998 CD2 PHE B 66 -4.942 1.773 -2.448 1.00 0.00 C ATOM 999 CE1 PHE B 66 -4.255 3.948 -0.930 1.00 0.00 C ATOM 1000 CE2 PHE B 66 -3.866 1.694 -1.596 1.00 0.00 C ATOM 1001 CZ PHE B 66 -3.521 2.784 -0.833 1.00 0.00 C ATOM 0 H PHE B 66 -5.572 5.687 -3.961 1.00 0.00 H new ATOM 0 HA PHE B 66 -7.607 4.103 -5.157 1.00 0.00 H new ATOM 0 HB2 PHE B 66 -7.732 2.653 -2.972 1.00 0.00 H new ATOM 0 HB3 PHE B 66 -6.658 2.167 -4.269 1.00 0.00 H new ATOM 0 HD1 PHE B 66 -5.906 4.923 -1.862 1.00 0.00 H new ATOM 0 HD2 PHE B 66 -5.209 0.913 -3.044 1.00 0.00 H new ATOM 0 HE1 PHE B 66 -3.987 4.808 -0.334 1.00 0.00 H new ATOM 0 HE2 PHE B 66 -3.295 0.780 -1.527 1.00 0.00 H new ATOM 0 HZ PHE B 66 -2.678 2.729 -0.160 1.00 0.00 H new ATOM 1011 N ASN B 67 -9.035 4.544 -2.948 1.00 0.00 N ATOM 1012 CA ASN B 67 -9.994 5.126 -2.033 1.00 0.00 C ATOM 1013 C ASN B 67 -10.464 4.031 -1.082 1.00 0.00 C ATOM 1014 O ASN B 67 -10.505 2.864 -1.481 1.00 0.00 O ATOM 1015 CB ASN B 67 -11.189 5.698 -2.804 1.00 0.00 C ATOM 1016 CG ASN B 67 -12.123 6.515 -1.932 1.00 0.00 C ATOM 1017 OD1 ASN B 67 -12.974 5.969 -1.228 1.00 0.00 O ATOM 1018 ND2 ASN B 67 -11.990 7.832 -1.996 1.00 0.00 N ATOM 0 H ASN B 67 -9.302 3.615 -3.275 1.00 0.00 H new ATOM 0 HA ASN B 67 -9.530 5.940 -1.476 1.00 0.00 H new ATOM 0 HB2 ASN B 67 -10.823 6.323 -3.619 1.00 0.00 H new ATOM 0 HB3 ASN B 67 -11.748 4.879 -3.257 1.00 0.00 H new ATOM 0 HD21 ASN B 67 -12.606 8.434 -1.449 1.00 0.00 H new ATOM 0 HD22 ASN B 67 -11.272 8.244 -2.592 1.00 0.00 H new ATOM 1025 N GLU B 68 -10.799 4.374 0.152 1.00 0.00 N ATOM 1026 CA GLU B 68 -11.237 3.384 1.123 1.00 0.00 C ATOM 1027 C GLU B 68 -12.406 2.542 0.591 1.00 0.00 C ATOM 1028 O GLU B 68 -12.407 1.314 0.720 1.00 0.00 O ATOM 1029 CB GLU B 68 -11.629 4.092 2.409 1.00 0.00 C ATOM 1030 CG GLU B 68 -10.674 3.858 3.568 1.00 0.00 C ATOM 1031 CD GLU B 68 -9.205 4.006 3.215 1.00 0.00 C ATOM 1032 OE1 GLU B 68 -8.640 3.077 2.596 1.00 0.00 O ATOM 1033 OE2 GLU B 68 -8.594 5.023 3.611 1.00 0.00 O1- ATOM 0 H GLU B 68 -10.776 5.331 0.505 1.00 0.00 H new ATOM 0 HA GLU B 68 -10.413 2.697 1.316 1.00 0.00 H new ATOM 0 HB2 GLU B 68 -11.692 5.163 2.216 1.00 0.00 H new ATOM 0 HB3 GLU B 68 -12.626 3.762 2.702 1.00 0.00 H new ATOM 0 HG2 GLU B 68 -10.915 4.559 4.367 1.00 0.00 H new ATOM 0 HG3 GLU B 68 -10.840 2.856 3.962 1.00 0.00 H new ATOM 1040 N LYS B 69 -13.373 3.206 -0.038 1.00 0.00 N ATOM 1041 CA LYS B 69 -14.557 2.536 -0.580 1.00 0.00 C ATOM 1042 C LYS B 69 -14.263 1.852 -1.907 1.00 0.00 C ATOM 1043 O LYS B 69 -15.037 1.014 -2.371 1.00 0.00 O ATOM 1044 CB LYS B 69 -15.685 3.534 -0.765 1.00 0.00 C ATOM 1045 CG LYS B 69 -16.285 4.001 0.551 1.00 0.00 C ATOM 1046 CD LYS B 69 -17.434 4.971 0.341 1.00 0.00 C ATOM 1047 CE LYS B 69 -18.621 4.295 -0.323 1.00 0.00 C ATOM 1048 NZ LYS B 69 -19.765 5.225 -0.482 1.00 0.00 N1+ ATOM 0 H LYS B 69 -13.361 4.215 -0.187 1.00 0.00 H new ATOM 0 HA LYS B 69 -14.854 1.771 0.137 1.00 0.00 H new ATOM 0 HB2 LYS B 69 -15.312 4.398 -1.315 1.00 0.00 H new ATOM 0 HB3 LYS B 69 -16.467 3.081 -1.375 1.00 0.00 H new ATOM 0 HG2 LYS B 69 -16.638 3.138 1.115 1.00 0.00 H new ATOM 0 HG3 LYS B 69 -15.512 4.480 1.152 1.00 0.00 H new ATOM 0 HD2 LYS B 69 -17.741 5.386 1.301 1.00 0.00 H new ATOM 0 HD3 LYS B 69 -17.099 5.806 -0.274 1.00 0.00 H new ATOM 0 HE2 LYS B 69 -18.323 3.915 -1.300 1.00 0.00 H new ATOM 0 HE3 LYS B 69 -18.930 3.436 0.273 1.00 0.00 H new ATOM 0 HZ1 LYS B 69 -20.556 4.728 -0.939 1.00 0.00 H new ATOM 0 HZ2 LYS B 69 -20.065 5.569 0.452 1.00 0.00 H new ATOM 0 HZ3 LYS B 69 -19.477 6.032 -1.071 1.00 0.00 H new ATOM 1062 N SER B 70 -13.154 2.225 -2.519 1.00 0.00 N ATOM 1063 CA SER B 70 -12.668 1.534 -3.698 1.00 0.00 C ATOM 1064 C SER B 70 -12.098 0.186 -3.269 1.00 0.00 C ATOM 1065 O SER B 70 -11.997 -0.737 -4.077 1.00 0.00 O ATOM 1066 CB SER B 70 -11.622 2.403 -4.400 1.00 0.00 C ATOM 1067 OG SER B 70 -10.759 1.647 -5.227 1.00 0.00 O ATOM 0 H SER B 70 -12.571 3.006 -2.217 1.00 0.00 H new ATOM 0 HA SER B 70 -13.475 1.355 -4.408 1.00 0.00 H new ATOM 0 HB2 SER B 70 -12.127 3.159 -5.001 1.00 0.00 H new ATOM 0 HB3 SER B 70 -11.032 2.932 -3.652 1.00 0.00 H new ATOM 0 HG SER B 70 -10.110 2.244 -5.655 1.00 0.00 H new ATOM 1073 N THR B 71 -11.770 0.093 -1.978 1.00 0.00 N ATOM 1074 CA THR B 71 -11.402 -1.141 -1.308 1.00 0.00 C ATOM 1075 C THR B 71 -10.187 -1.815 -1.947 1.00 0.00 C ATOM 1076 O THR B 71 -10.255 -2.377 -3.045 1.00 0.00 O ATOM 1077 CB THR B 71 -12.601 -2.099 -1.223 1.00 0.00 C ATOM 1078 OG1 THR B 71 -12.893 -2.684 -2.498 1.00 0.00 O ATOM 1079 CG2 THR B 71 -13.828 -1.361 -0.724 1.00 0.00 C ATOM 0 H THR B 71 -11.755 0.903 -1.358 1.00 0.00 H new ATOM 0 HA THR B 71 -11.107 -0.877 -0.292 1.00 0.00 H new ATOM 0 HB THR B 71 -12.337 -2.894 -0.525 1.00 0.00 H new ATOM 0 HG1 THR B 71 -12.350 -2.250 -3.189 1.00 0.00 H new ATOM 0 HG21 THR B 71 -14.670 -2.051 -0.668 1.00 0.00 H new ATOM 0 HG22 THR B 71 -13.629 -0.951 0.266 1.00 0.00 H new ATOM 0 HG23 THR B 71 -14.069 -0.549 -1.411 1.00 0.00 H new ATOM 1087 N VAL B 72 -9.082 -1.776 -1.215 1.00 0.00 N ATOM 1088 CA VAL B 72 -7.770 -2.161 -1.732 1.00 0.00 C ATOM 1089 C VAL B 72 -7.698 -3.622 -2.182 1.00 0.00 C ATOM 1090 O VAL B 72 -6.728 -4.016 -2.816 1.00 0.00 O ATOM 1091 CB VAL B 72 -6.675 -1.910 -0.680 1.00 0.00 C ATOM 1092 CG1 VAL B 72 -6.748 -0.481 -0.165 1.00 0.00 C ATOM 1093 CG2 VAL B 72 -6.796 -2.906 0.459 1.00 0.00 C ATOM 0 H VAL B 72 -9.067 -1.475 -0.240 1.00 0.00 H new ATOM 0 HA VAL B 72 -7.606 -1.537 -2.610 1.00 0.00 H new ATOM 0 HB VAL B 72 -5.702 -2.050 -1.150 1.00 0.00 H new ATOM 0 HG11 VAL B 72 -5.966 -0.322 0.578 1.00 0.00 H new ATOM 0 HG12 VAL B 72 -6.607 0.212 -0.994 1.00 0.00 H new ATOM 0 HG13 VAL B 72 -7.723 -0.308 0.291 1.00 0.00 H new ATOM 0 HG21 VAL B 72 -6.014 -2.715 1.194 1.00 0.00 H new ATOM 0 HG22 VAL B 72 -7.772 -2.801 0.932 1.00 0.00 H new ATOM 0 HG23 VAL B 72 -6.688 -3.918 0.070 1.00 0.00 H new ATOM 1103 N GLY B 73 -8.712 -4.413 -1.860 1.00 0.00 N ATOM 1104 CA GLY B 73 -8.713 -5.809 -2.253 1.00 0.00 C ATOM 1105 C GLY B 73 -8.667 -5.980 -3.758 1.00 0.00 C ATOM 1106 O GLY B 73 -7.757 -6.611 -4.297 1.00 0.00 O ATOM 0 H GLY B 73 -9.533 -4.114 -1.334 1.00 0.00 H new ATOM 0 HA2 GLY B 73 -7.855 -6.311 -1.806 1.00 0.00 H new ATOM 0 HA3 GLY B 73 -9.607 -6.294 -1.861 1.00 0.00 H new ATOM 1110 N ASN B 74 -9.640 -5.389 -4.439 1.00 0.00 N ATOM 1111 CA ASN B 74 -9.710 -5.458 -5.894 1.00 0.00 C ATOM 1112 C ASN B 74 -8.576 -4.649 -6.518 1.00 0.00 C ATOM 1113 O ASN B 74 -8.067 -4.981 -7.593 1.00 0.00 O ATOM 1114 CB ASN B 74 -11.059 -4.928 -6.397 1.00 0.00 C ATOM 1115 CG ASN B 74 -12.235 -5.748 -5.941 1.00 0.00 C ATOM 1116 OD1 ASN B 74 -12.149 -6.965 -5.771 1.00 0.00 O ATOM 1117 ND2 ASN B 74 -13.349 -5.076 -5.728 1.00 0.00 N ATOM 0 H ASN B 74 -10.394 -4.855 -4.006 1.00 0.00 H new ATOM 0 HA ASN B 74 -9.610 -6.502 -6.189 1.00 0.00 H new ATOM 0 HB2 ASN B 74 -11.187 -3.901 -6.054 1.00 0.00 H new ATOM 0 HB3 ASN B 74 -11.046 -4.901 -7.487 1.00 0.00 H new ATOM 0 HD21 ASN B 74 -14.186 -5.564 -5.409 1.00 0.00 H new ATOM 0 HD22 ASN B 74 -13.374 -4.068 -5.882 1.00 0.00 H new ATOM 1124 N ILE B 75 -8.175 -3.587 -5.831 1.00 0.00 N ATOM 1125 CA ILE B 75 -7.143 -2.695 -6.349 1.00 0.00 C ATOM 1126 C ILE B 75 -5.779 -3.374 -6.334 1.00 0.00 C ATOM 1127 O ILE B 75 -5.058 -3.362 -7.331 1.00 0.00 O ATOM 1128 CB ILE B 75 -7.038 -1.395 -5.532 1.00 0.00 C ATOM 1129 CG1 ILE B 75 -8.409 -0.959 -5.022 1.00 0.00 C ATOM 1130 CG2 ILE B 75 -6.415 -0.299 -6.384 1.00 0.00 C ATOM 1131 CD1 ILE B 75 -8.358 0.259 -4.144 1.00 0.00 C ATOM 0 H ILE B 75 -8.546 -3.322 -4.918 1.00 0.00 H new ATOM 0 HA ILE B 75 -7.435 -2.453 -7.371 1.00 0.00 H new ATOM 0 HB ILE B 75 -6.401 -1.579 -4.667 1.00 0.00 H new ATOM 0 HG12 ILE B 75 -9.058 -0.757 -5.874 1.00 0.00 H new ATOM 0 HG13 ILE B 75 -8.860 -1.781 -4.465 1.00 0.00 H new ATOM 0 HG21 ILE B 75 -6.343 0.619 -5.801 1.00 0.00 H new ATOM 0 HG22 ILE B 75 -5.418 -0.607 -6.701 1.00 0.00 H new ATOM 0 HG23 ILE B 75 -7.037 -0.123 -7.262 1.00 0.00 H new ATOM 0 HD11 ILE B 75 -9.366 0.514 -3.817 1.00 0.00 H new ATOM 0 HD12 ILE B 75 -7.735 0.054 -3.274 1.00 0.00 H new ATOM 0 HD13 ILE B 75 -7.936 1.094 -4.704 1.00 0.00 H new ATOM 1143 N SER B 76 -5.443 -3.969 -5.193 1.00 0.00 N ATOM 1144 CA SER B 76 -4.139 -4.610 -4.996 1.00 0.00 C ATOM 1145 C SER B 76 -3.885 -5.670 -6.055 1.00 0.00 C ATOM 1146 O SER B 76 -2.744 -5.884 -6.471 1.00 0.00 O ATOM 1147 CB SER B 76 -4.044 -5.241 -3.601 1.00 0.00 C ATOM 1148 OG SER B 76 -2.758 -5.799 -3.377 1.00 0.00 O ATOM 0 H SER B 76 -6.059 -4.022 -4.382 1.00 0.00 H new ATOM 0 HA SER B 76 -3.378 -3.835 -5.086 1.00 0.00 H new ATOM 0 HB2 SER B 76 -4.253 -4.487 -2.843 1.00 0.00 H new ATOM 0 HB3 SER B 76 -4.803 -6.016 -3.497 1.00 0.00 H new ATOM 0 HG SER B 76 -2.544 -5.754 -2.422 1.00 0.00 H new ATOM 1154 N ASN B 77 -4.955 -6.328 -6.475 1.00 0.00 N ATOM 1155 CA ASN B 77 -4.898 -7.308 -7.552 1.00 0.00 C ATOM 1156 C ASN B 77 -4.191 -6.719 -8.758 1.00 0.00 C ATOM 1157 O ASN B 77 -3.214 -7.271 -9.270 1.00 0.00 O ATOM 1158 CB ASN B 77 -6.312 -7.693 -7.955 1.00 0.00 C ATOM 1159 CG ASN B 77 -6.354 -8.877 -8.904 1.00 0.00 C ATOM 1160 OD1 ASN B 77 -5.486 -9.751 -8.872 1.00 0.00 O ATOM 1161 ND2 ASN B 77 -7.363 -8.913 -9.759 1.00 0.00 N ATOM 0 H ASN B 77 -5.887 -6.199 -6.080 1.00 0.00 H new ATOM 0 HA ASN B 77 -4.352 -8.184 -7.203 1.00 0.00 H new ATOM 0 HB2 ASN B 77 -6.888 -7.930 -7.060 1.00 0.00 H new ATOM 0 HB3 ASN B 77 -6.795 -6.838 -8.427 1.00 0.00 H new ATOM 0 HD21 ASN B 77 -7.442 -9.684 -10.423 1.00 0.00 H new ATOM 0 HD22 ASN B 77 -8.062 -8.170 -9.754 1.00 0.00 H new ATOM 1168 N ASP B 78 -4.706 -5.584 -9.191 1.00 0.00 N ATOM 1169 CA ASP B 78 -4.139 -4.852 -10.324 1.00 0.00 C ATOM 1170 C ASP B 78 -2.735 -4.346 -10.013 1.00 0.00 C ATOM 1171 O ASP B 78 -1.831 -4.474 -10.830 1.00 0.00 O ATOM 1172 CB ASP B 78 -5.030 -3.664 -10.698 1.00 0.00 C ATOM 1173 CG ASP B 78 -6.373 -4.084 -11.256 1.00 0.00 C ATOM 1174 OD1 ASP B 78 -6.421 -4.602 -12.390 1.00 0.00 O ATOM 1175 OD2 ASP B 78 -7.399 -3.877 -10.570 1.00 0.00 O1- ATOM 0 H ASP B 78 -5.524 -5.140 -8.775 1.00 0.00 H new ATOM 0 HA ASP B 78 -4.084 -5.546 -11.163 1.00 0.00 H new ATOM 0 HB2 ASP B 78 -5.187 -3.043 -9.816 1.00 0.00 H new ATOM 0 HB3 ASP B 78 -4.514 -3.047 -11.434 1.00 0.00 H new ATOM 1180 N ILE B 79 -2.561 -3.786 -8.823 1.00 0.00 N ATOM 1181 CA ILE B 79 -1.290 -3.192 -8.405 1.00 0.00 C ATOM 1182 C ILE B 79 -0.126 -4.170 -8.511 1.00 0.00 C ATOM 1183 O ILE B 79 1.013 -3.780 -8.768 1.00 0.00 O ATOM 1184 CB ILE B 79 -1.408 -2.660 -6.985 1.00 0.00 C ATOM 1185 CG1 ILE B 79 -2.490 -1.607 -6.999 1.00 0.00 C ATOM 1186 CG2 ILE B 79 -0.089 -2.084 -6.484 1.00 0.00 C ATOM 1187 CD1 ILE B 79 -2.169 -0.390 -7.847 1.00 0.00 C ATOM 0 H ILE B 79 -3.295 -3.729 -8.117 1.00 0.00 H new ATOM 0 HA ILE B 79 -1.075 -2.369 -9.087 1.00 0.00 H new ATOM 0 HB ILE B 79 -1.661 -3.469 -6.300 1.00 0.00 H new ATOM 0 HG12 ILE B 79 -3.413 -2.057 -7.365 1.00 0.00 H new ATOM 0 HG13 ILE B 79 -2.678 -1.282 -5.975 1.00 0.00 H new ATOM 0 HG21 ILE B 79 -0.216 -1.715 -5.466 1.00 0.00 H new ATOM 0 HG22 ILE B 79 0.675 -2.861 -6.495 1.00 0.00 H new ATOM 0 HG23 ILE B 79 0.219 -1.263 -7.132 1.00 0.00 H new ATOM 0 HD11 ILE B 79 -2.999 0.315 -7.801 1.00 0.00 H new ATOM 0 HD12 ILE B 79 -1.265 0.088 -7.470 1.00 0.00 H new ATOM 0 HD13 ILE B 79 -2.012 -0.698 -8.881 1.00 0.00 H new ATOM 1199 N ASN B 80 -0.423 -5.445 -8.332 1.00 0.00 N ATOM 1200 CA ASN B 80 0.594 -6.493 -8.429 1.00 0.00 C ATOM 1201 C ASN B 80 1.259 -6.511 -9.809 1.00 0.00 C ATOM 1202 O ASN B 80 2.406 -6.938 -9.946 1.00 0.00 O ATOM 1203 CB ASN B 80 -0.011 -7.870 -8.138 1.00 0.00 C ATOM 1204 CG ASN B 80 -0.442 -8.047 -6.691 1.00 0.00 C ATOM 1205 OD1 ASN B 80 -1.395 -8.770 -6.403 1.00 0.00 O ATOM 1206 ND2 ASN B 80 0.261 -7.405 -5.770 1.00 0.00 N ATOM 0 H ASN B 80 -1.360 -5.786 -8.118 1.00 0.00 H new ATOM 0 HA ASN B 80 1.354 -6.267 -7.681 1.00 0.00 H new ATOM 0 HB2 ASN B 80 -0.873 -8.025 -8.787 1.00 0.00 H new ATOM 0 HB3 ASN B 80 0.719 -8.640 -8.389 1.00 0.00 H new ATOM 0 HD21 ASN B 80 0.018 -7.502 -4.784 1.00 0.00 H new ATOM 0 HD22 ASN B 80 1.045 -6.814 -6.047 1.00 0.00 H new ATOM 1213 N LYS B 81 0.551 -6.021 -10.822 1.00 0.00 N ATOM 1214 CA LYS B 81 1.040 -6.070 -12.197 1.00 0.00 C ATOM 1215 C LYS B 81 1.939 -4.873 -12.510 1.00 0.00 C ATOM 1216 O LYS B 81 2.515 -4.786 -13.593 1.00 0.00 O ATOM 1217 CB LYS B 81 -0.140 -6.098 -13.178 1.00 0.00 C ATOM 1218 CG LYS B 81 -0.679 -4.723 -13.532 1.00 0.00 C ATOM 1219 CD LYS B 81 -1.880 -4.805 -14.457 1.00 0.00 C ATOM 1220 CE LYS B 81 -1.533 -5.463 -15.782 1.00 0.00 C ATOM 1221 NZ LYS B 81 -2.708 -5.533 -16.690 1.00 0.00 N1+ ATOM 0 H LYS B 81 -0.365 -5.585 -10.717 1.00 0.00 H new ATOM 0 HA LYS B 81 1.629 -6.981 -12.309 1.00 0.00 H new ATOM 0 HB2 LYS B 81 0.173 -6.601 -14.093 1.00 0.00 H new ATOM 0 HB3 LYS B 81 -0.945 -6.693 -12.746 1.00 0.00 H new ATOM 0 HG2 LYS B 81 -0.959 -4.197 -12.619 1.00 0.00 H new ATOM 0 HG3 LYS B 81 0.107 -4.137 -14.009 1.00 0.00 H new ATOM 0 HD2 LYS B 81 -2.675 -5.369 -13.969 1.00 0.00 H new ATOM 0 HD3 LYS B 81 -2.266 -3.802 -14.640 1.00 0.00 H new ATOM 0 HE2 LYS B 81 -0.732 -4.904 -16.266 1.00 0.00 H new ATOM 0 HE3 LYS B 81 -1.154 -6.469 -15.600 1.00 0.00 H new ATOM 0 HZ1 LYS B 81 -2.430 -5.988 -17.583 1.00 0.00 H new ATOM 0 HZ2 LYS B 81 -3.463 -6.088 -16.239 1.00 0.00 H new ATOM 0 HZ3 LYS B 81 -3.054 -4.572 -16.885 1.00 0.00 H new ATOM 1235 N LEU B 82 2.075 -3.971 -11.547 1.00 0.00 N ATOM 1236 CA LEU B 82 2.775 -2.704 -11.760 1.00 0.00 C ATOM 1237 C LEU B 82 4.276 -2.903 -11.836 1.00 0.00 C ATOM 1238 O LEU B 82 5.008 -2.003 -12.249 1.00 0.00 O ATOM 1239 CB LEU B 82 2.460 -1.727 -10.623 1.00 0.00 C ATOM 1240 CG LEU B 82 1.255 -0.806 -10.834 1.00 0.00 C ATOM 1241 CD1 LEU B 82 1.601 0.303 -11.815 1.00 0.00 C ATOM 1242 CD2 LEU B 82 0.045 -1.582 -11.332 1.00 0.00 C ATOM 0 H LEU B 82 1.708 -4.092 -10.603 1.00 0.00 H new ATOM 0 HA LEU B 82 2.428 -2.297 -12.710 1.00 0.00 H new ATOM 0 HB2 LEU B 82 2.295 -2.303 -9.713 1.00 0.00 H new ATOM 0 HB3 LEU B 82 3.339 -1.106 -10.452 1.00 0.00 H new ATOM 0 HG LEU B 82 1.002 -0.365 -9.870 1.00 0.00 H new ATOM 0 HD11 LEU B 82 0.734 0.949 -11.954 1.00 0.00 H new ATOM 0 HD12 LEU B 82 2.432 0.890 -11.423 1.00 0.00 H new ATOM 0 HD13 LEU B 82 1.886 -0.134 -12.772 1.00 0.00 H new ATOM 0 HD21 LEU B 82 -0.793 -0.899 -11.472 1.00 0.00 H new ATOM 0 HD22 LEU B 82 0.285 -2.060 -12.281 1.00 0.00 H new ATOM 0 HD23 LEU B 82 -0.225 -2.343 -10.600 1.00 0.00 H new ATOM 1254 N ASN B 83 4.716 -4.096 -11.461 1.00 0.00 N ATOM 1255 CA ASN B 83 6.127 -4.377 -11.265 1.00 0.00 C ATOM 1256 C ASN B 83 6.717 -3.332 -10.325 1.00 0.00 C ATOM 1257 O ASN B 83 7.533 -2.496 -10.714 1.00 0.00 O ATOM 1258 CB ASN B 83 6.868 -4.420 -12.603 1.00 0.00 C ATOM 1259 CG ASN B 83 8.310 -4.877 -12.471 1.00 0.00 C ATOM 1260 OD1 ASN B 83 9.229 -4.068 -12.354 1.00 0.00 O ATOM 1261 ND2 ASN B 83 8.517 -6.186 -12.476 1.00 0.00 N ATOM 0 H ASN B 83 4.105 -4.893 -11.285 1.00 0.00 H new ATOM 0 HA ASN B 83 6.243 -5.361 -10.811 1.00 0.00 H new ATOM 0 HB2 ASN B 83 6.341 -5.091 -13.282 1.00 0.00 H new ATOM 0 HB3 ASN B 83 6.847 -3.428 -13.055 1.00 0.00 H new ATOM 0 HD21 ASN B 83 9.464 -6.553 -12.381 1.00 0.00 H new ATOM 0 HD22 ASN B 83 7.729 -6.827 -12.575 1.00 0.00 H new ATOM 1268 N ILE B 84 6.241 -3.374 -9.087 1.00 0.00 N ATOM 1269 CA ILE B 84 6.623 -2.423 -8.056 1.00 0.00 C ATOM 1270 C ILE B 84 8.138 -2.417 -7.832 1.00 0.00 C ATOM 1271 O ILE B 84 8.832 -3.382 -8.158 1.00 0.00 O ATOM 1272 CB ILE B 84 5.887 -2.780 -6.746 1.00 0.00 C ATOM 1273 CG1 ILE B 84 4.387 -2.723 -6.988 1.00 0.00 C ATOM 1274 CG2 ILE B 84 6.269 -1.843 -5.606 1.00 0.00 C ATOM 1275 CD1 ILE B 84 3.580 -3.422 -5.921 1.00 0.00 C ATOM 0 H ILE B 84 5.573 -4.076 -8.770 1.00 0.00 H new ATOM 0 HA ILE B 84 6.339 -1.422 -8.380 1.00 0.00 H new ATOM 0 HB ILE B 84 6.183 -3.787 -6.450 1.00 0.00 H new ATOM 0 HG12 ILE B 84 4.075 -1.680 -7.044 1.00 0.00 H new ATOM 0 HG13 ILE B 84 4.165 -3.175 -7.955 1.00 0.00 H new ATOM 0 HG21 ILE B 84 5.729 -2.129 -4.703 1.00 0.00 H new ATOM 0 HG22 ILE B 84 7.342 -1.910 -5.424 1.00 0.00 H new ATOM 0 HG23 ILE B 84 6.010 -0.819 -5.874 1.00 0.00 H new ATOM 0 HD11 ILE B 84 2.519 -3.342 -6.157 1.00 0.00 H new ATOM 0 HD12 ILE B 84 3.865 -4.473 -5.880 1.00 0.00 H new ATOM 0 HD13 ILE B 84 3.773 -2.956 -4.955 1.00 0.00 H new ATOM 1287 N LYS B 85 8.642 -1.314 -7.308 1.00 0.00 N ATOM 1288 CA LYS B 85 10.058 -1.190 -6.980 1.00 0.00 C ATOM 1289 C LYS B 85 10.242 -1.073 -5.474 1.00 0.00 C ATOM 1290 O LYS B 85 9.273 -1.113 -4.718 1.00 0.00 O ATOM 1291 CB LYS B 85 10.652 0.048 -7.653 1.00 0.00 C ATOM 1292 CG LYS B 85 10.365 0.137 -9.137 1.00 0.00 C ATOM 1293 CD LYS B 85 11.087 1.319 -9.766 1.00 0.00 C ATOM 1294 CE LYS B 85 10.703 1.508 -11.223 1.00 0.00 C ATOM 1295 NZ LYS B 85 11.344 2.713 -11.812 1.00 0.00 N1+ ATOM 0 H LYS B 85 8.089 -0.483 -7.098 1.00 0.00 H new ATOM 0 HA LYS B 85 10.571 -2.081 -7.341 1.00 0.00 H new ATOM 0 HB2 LYS B 85 10.260 0.939 -7.163 1.00 0.00 H new ATOM 0 HB3 LYS B 85 11.731 0.049 -7.501 1.00 0.00 H new ATOM 0 HG2 LYS B 85 10.677 -0.786 -9.627 1.00 0.00 H new ATOM 0 HG3 LYS B 85 9.291 0.236 -9.297 1.00 0.00 H new ATOM 0 HD2 LYS B 85 10.853 2.226 -9.208 1.00 0.00 H new ATOM 0 HD3 LYS B 85 12.164 1.168 -9.691 1.00 0.00 H new ATOM 0 HE2 LYS B 85 10.995 0.626 -11.793 1.00 0.00 H new ATOM 0 HE3 LYS B 85 9.620 1.596 -11.305 1.00 0.00 H new ATOM 0 HZ1 LYS B 85 11.057 2.807 -12.807 1.00 0.00 H new ATOM 0 HZ2 LYS B 85 11.046 3.558 -11.284 1.00 0.00 H new ATOM 0 HZ3 LYS B 85 12.378 2.618 -11.757 1.00 0.00 H new ATOM 1309 N GLY B 86 11.483 -0.915 -5.046 1.00 0.00 N ATOM 1310 CA GLY B 86 11.759 -0.700 -3.640 1.00 0.00 C ATOM 1311 C GLY B 86 12.888 0.290 -3.434 1.00 0.00 C ATOM 1312 O GLY B 86 14.036 0.007 -3.776 1.00 0.00 O ATOM 0 H GLY B 86 12.307 -0.932 -5.647 1.00 0.00 H new ATOM 0 HA2 GLY B 86 10.860 -0.334 -3.145 1.00 0.00 H new ATOM 0 HA3 GLY B 86 12.018 -1.649 -3.171 1.00 0.00 H new ATOM 1316 N MET B 87 12.560 1.461 -2.892 1.00 0.00 N ATOM 1317 CA MET B 87 13.546 2.468 -2.588 1.00 0.00 C ATOM 1318 C MET B 87 13.057 3.390 -1.463 1.00 0.00 C ATOM 1319 O MET B 87 13.542 3.310 -0.335 1.00 0.00 O ATOM 1320 CB MET B 87 13.835 3.261 -3.853 1.00 0.00 C ATOM 1321 CG MET B 87 14.341 4.654 -3.596 1.00 0.00 C ATOM 1322 SD MET B 87 16.065 4.702 -3.080 1.00 0.00 S ATOM 1323 CE MET B 87 16.316 6.469 -2.944 1.00 0.00 C ATOM 0 H MET B 87 11.604 1.727 -2.656 1.00 0.00 H new ATOM 0 HA MET B 87 14.462 1.990 -2.239 1.00 0.00 H new ATOM 0 HB2 MET B 87 14.572 2.721 -4.448 1.00 0.00 H new ATOM 0 HB3 MET B 87 12.925 3.320 -4.449 1.00 0.00 H new ATOM 0 HG2 MET B 87 14.224 5.249 -4.502 1.00 0.00 H new ATOM 0 HG3 MET B 87 13.726 5.120 -2.827 1.00 0.00 H new ATOM 0 HE1 MET B 87 17.341 6.668 -2.631 1.00 0.00 H new ATOM 0 HE2 MET B 87 16.134 6.938 -3.911 1.00 0.00 H new ATOM 0 HE3 MET B 87 15.626 6.879 -2.207 1.00 0.00 H new ATOM 1333 N TYR B 88 12.094 4.261 -1.771 1.00 0.00 N ATOM 1334 CA TYR B 88 11.566 5.190 -0.794 1.00 0.00 C ATOM 1335 C TYR B 88 10.052 5.205 -0.868 1.00 0.00 C ATOM 1336 O TYR B 88 9.475 5.557 -1.897 1.00 0.00 O ATOM 1337 CB TYR B 88 12.118 6.591 -1.046 1.00 0.00 C ATOM 1338 CG TYR B 88 11.693 7.597 -0.004 1.00 0.00 C ATOM 1339 CD1 TYR B 88 12.360 7.691 1.211 1.00 0.00 C ATOM 1340 CD2 TYR B 88 10.619 8.444 -0.231 1.00 0.00 C ATOM 1341 CE1 TYR B 88 11.967 8.606 2.169 1.00 0.00 C ATOM 1342 CE2 TYR B 88 10.221 9.358 0.721 1.00 0.00 C ATOM 1343 CZ TYR B 88 10.896 9.435 1.918 1.00 0.00 C ATOM 1344 OH TYR B 88 10.491 10.342 2.871 1.00 0.00 O ATOM 0 H TYR B 88 11.669 4.335 -2.695 1.00 0.00 H new ATOM 0 HA TYR B 88 11.871 4.870 0.202 1.00 0.00 H new ATOM 0 HB2 TYR B 88 13.207 6.545 -1.074 1.00 0.00 H new ATOM 0 HB3 TYR B 88 11.788 6.933 -2.027 1.00 0.00 H new ATOM 0 HD1 TYR B 88 13.198 7.039 1.410 1.00 0.00 H new ATOM 0 HD2 TYR B 88 10.086 8.387 -1.168 1.00 0.00 H new ATOM 0 HE1 TYR B 88 12.496 8.671 3.108 1.00 0.00 H new ATOM 0 HE2 TYR B 88 9.383 10.011 0.528 1.00 0.00 H new ATOM 0 HH TYR B 88 9.557 10.168 3.112 1.00 0.00 H new ATOM 1354 N ILE B 89 9.425 4.795 0.210 1.00 0.00 N ATOM 1355 CA ILE B 89 7.975 4.699 0.269 1.00 0.00 C ATOM 1356 C ILE B 89 7.372 5.838 1.092 1.00 0.00 C ATOM 1357 O ILE B 89 7.964 6.288 2.074 1.00 0.00 O ATOM 1358 CB ILE B 89 7.550 3.348 0.877 1.00 0.00 C ATOM 1359 CG1 ILE B 89 8.345 2.204 0.245 1.00 0.00 C ATOM 1360 CG2 ILE B 89 6.056 3.121 0.703 1.00 0.00 C ATOM 1361 CD1 ILE B 89 8.125 2.059 -1.237 1.00 0.00 C ATOM 0 H ILE B 89 9.898 4.518 1.070 1.00 0.00 H new ATOM 0 HA ILE B 89 7.601 4.774 -0.752 1.00 0.00 H new ATOM 0 HB ILE B 89 7.766 3.372 1.945 1.00 0.00 H new ATOM 0 HG12 ILE B 89 9.407 2.365 0.431 1.00 0.00 H new ATOM 0 HG13 ILE B 89 8.073 1.270 0.737 1.00 0.00 H new ATOM 0 HG21 ILE B 89 5.780 2.161 1.140 1.00 0.00 H new ATOM 0 HG22 ILE B 89 5.506 3.919 1.203 1.00 0.00 H new ATOM 0 HG23 ILE B 89 5.809 3.120 -0.359 1.00 0.00 H new ATOM 0 HD11 ILE B 89 8.721 1.228 -1.614 1.00 0.00 H new ATOM 0 HD12 ILE B 89 7.070 1.866 -1.431 1.00 0.00 H new ATOM 0 HD13 ILE B 89 8.424 2.978 -1.741 1.00 0.00 H new ATOM 1373 N GLU B 90 6.196 6.297 0.679 1.00 0.00 N ATOM 1374 CA GLU B 90 5.479 7.354 1.385 1.00 0.00 C ATOM 1375 C GLU B 90 3.998 7.028 1.516 1.00 0.00 C ATOM 1376 O GLU B 90 3.448 6.262 0.722 1.00 0.00 O ATOM 1377 CB GLU B 90 5.632 8.683 0.653 1.00 0.00 C ATOM 1378 CG GLU B 90 6.932 9.407 0.948 1.00 0.00 C ATOM 1379 CD GLU B 90 6.998 9.927 2.371 1.00 0.00 C ATOM 1380 OE1 GLU B 90 6.263 10.884 2.691 1.00 0.00 O1- ATOM 1381 OE2 GLU B 90 7.772 9.377 3.181 1.00 0.00 O ATOM 0 H GLU B 90 5.714 5.950 -0.150 1.00 0.00 H new ATOM 0 HA GLU B 90 5.912 7.430 2.382 1.00 0.00 H new ATOM 0 HB2 GLU B 90 5.564 8.504 -0.420 1.00 0.00 H new ATOM 0 HB3 GLU B 90 4.798 9.332 0.922 1.00 0.00 H new ATOM 0 HG2 GLU B 90 7.769 8.731 0.773 1.00 0.00 H new ATOM 0 HG3 GLU B 90 7.045 10.240 0.255 1.00 0.00 H new ATOM 1388 N ILE B 91 3.363 7.628 2.517 1.00 0.00 N ATOM 1389 CA ILE B 91 1.934 7.464 2.757 1.00 0.00 C ATOM 1390 C ILE B 91 1.301 8.822 3.048 1.00 0.00 C ATOM 1391 O ILE B 91 1.752 9.529 3.950 1.00 0.00 O ATOM 1392 CB ILE B 91 1.661 6.545 3.968 1.00 0.00 C ATOM 1393 CG1 ILE B 91 2.137 5.118 3.698 1.00 0.00 C ATOM 1394 CG2 ILE B 91 0.184 6.557 4.342 1.00 0.00 C ATOM 1395 CD1 ILE B 91 1.912 4.187 4.868 1.00 0.00 C ATOM 0 H ILE B 91 3.826 8.243 3.186 1.00 0.00 H new ATOM 0 HA ILE B 91 1.505 7.014 1.862 1.00 0.00 H new ATOM 0 HB ILE B 91 2.229 6.936 4.812 1.00 0.00 H new ATOM 0 HG12 ILE B 91 1.616 4.727 2.824 1.00 0.00 H new ATOM 0 HG13 ILE B 91 3.199 5.136 3.454 1.00 0.00 H new ATOM 0 HG21 ILE B 91 0.020 5.902 5.197 1.00 0.00 H new ATOM 0 HG22 ILE B 91 -0.118 7.572 4.599 1.00 0.00 H new ATOM 0 HG23 ILE B 91 -0.408 6.206 3.497 1.00 0.00 H new ATOM 0 HD11 ILE B 91 2.271 3.190 4.614 1.00 0.00 H new ATOM 0 HD12 ILE B 91 2.455 4.557 5.737 1.00 0.00 H new ATOM 0 HD13 ILE B 91 0.847 4.142 5.098 1.00 0.00 H new ATOM 1407 N LYS B 92 0.255 9.177 2.307 1.00 0.00 N ATOM 1408 CA LYS B 92 -0.412 10.466 2.494 1.00 0.00 C ATOM 1409 C LYS B 92 -1.650 10.590 1.609 1.00 0.00 C ATOM 1410 O LYS B 92 -1.734 9.961 0.554 1.00 0.00 O ATOM 1411 CB LYS B 92 0.558 11.599 2.164 1.00 0.00 C ATOM 1412 CG LYS B 92 1.114 11.504 0.761 1.00 0.00 C ATOM 1413 CD LYS B 92 2.280 12.457 0.564 1.00 0.00 C ATOM 1414 CE LYS B 92 2.712 12.517 -0.893 1.00 0.00 C ATOM 1415 NZ LYS B 92 3.818 13.486 -1.109 1.00 0.00 N1+ ATOM 0 H LYS B 92 -0.149 8.594 1.574 1.00 0.00 H new ATOM 0 HA LYS B 92 -0.728 10.531 3.535 1.00 0.00 H new ATOM 0 HB2 LYS B 92 0.048 12.555 2.284 1.00 0.00 H new ATOM 0 HB3 LYS B 92 1.381 11.586 2.878 1.00 0.00 H new ATOM 0 HG2 LYS B 92 1.439 10.482 0.565 1.00 0.00 H new ATOM 0 HG3 LYS B 92 0.329 11.732 0.040 1.00 0.00 H new ATOM 0 HD2 LYS B 92 1.997 13.454 0.902 1.00 0.00 H new ATOM 0 HD3 LYS B 92 3.120 12.138 1.181 1.00 0.00 H new ATOM 0 HE2 LYS B 92 3.030 11.526 -1.217 1.00 0.00 H new ATOM 0 HE3 LYS B 92 1.860 12.797 -1.512 1.00 0.00 H new ATOM 0 HZ1 LYS B 92 4.081 13.494 -2.115 1.00 0.00 H new ATOM 0 HZ2 LYS B 92 3.507 14.437 -0.824 1.00 0.00 H new ATOM 0 HZ3 LYS B 92 4.641 13.206 -0.539 1.00 0.00 H new ATOM 1429 N GLN B 93 -2.610 11.400 2.053 1.00 0.00 N ATOM 1430 CA GLN B 93 -3.799 11.687 1.272 1.00 0.00 C ATOM 1431 C GLN B 93 -3.494 12.661 0.142 1.00 0.00 C ATOM 1432 O GLN B 93 -2.583 13.482 0.234 1.00 0.00 O ATOM 1433 CB GLN B 93 -4.948 12.190 2.165 1.00 0.00 C ATOM 1434 CG GLN B 93 -4.554 13.139 3.298 1.00 0.00 C ATOM 1435 CD GLN B 93 -4.092 14.508 2.834 1.00 0.00 C ATOM 1436 OE1 GLN B 93 -4.905 15.408 2.616 1.00 0.00 O ATOM 1437 NE2 GLN B 93 -2.788 14.696 2.739 1.00 0.00 N ATOM 0 H GLN B 93 -2.581 11.870 2.958 1.00 0.00 H new ATOM 0 HA GLN B 93 -4.131 10.754 0.816 1.00 0.00 H new ATOM 0 HB2 GLN B 93 -5.678 12.695 1.533 1.00 0.00 H new ATOM 0 HB3 GLN B 93 -5.448 11.325 2.600 1.00 0.00 H new ATOM 0 HG2 GLN B 93 -5.407 13.263 3.965 1.00 0.00 H new ATOM 0 HG3 GLN B 93 -3.757 12.678 3.882 1.00 0.00 H new ATOM 0 HE21 GLN B 93 -2.147 13.926 2.927 1.00 0.00 H new ATOM 0 HE22 GLN B 93 -2.422 15.612 2.477 1.00 0.00 H new ATOM 1446 N ILE B 94 -4.251 12.543 -0.928 1.00 0.00 N ATOM 1447 CA ILE B 94 -3.987 13.280 -2.151 1.00 0.00 C ATOM 1448 C ILE B 94 -5.084 14.300 -2.441 1.00 0.00 C ATOM 1449 O ILE B 94 -4.886 15.491 -2.128 1.00 0.00 O ATOM 1450 CB ILE B 94 -3.848 12.298 -3.330 1.00 0.00 C ATOM 1451 CG1 ILE B 94 -4.903 11.194 -3.200 1.00 0.00 C ATOM 1452 CG2 ILE B 94 -2.448 11.705 -3.347 1.00 0.00 C ATOM 1453 CD1 ILE B 94 -4.916 10.205 -4.346 1.00 0.00 C ATOM 1454 OXT ILE B 94 -6.140 13.916 -2.979 1.00 0.00 O ATOM 0 H ILE B 94 -5.068 11.934 -0.977 1.00 0.00 H new ATOM 0 HA ILE B 94 -3.054 13.828 -2.021 1.00 0.00 H new ATOM 0 HB ILE B 94 -4.007 12.828 -4.269 1.00 0.00 H new ATOM 0 HG12 ILE B 94 -4.732 10.652 -2.270 1.00 0.00 H new ATOM 0 HG13 ILE B 94 -5.887 11.656 -3.123 1.00 0.00 H new ATOM 0 HG21 ILE B 94 -2.357 11.012 -4.183 1.00 0.00 H new ATOM 0 HG22 ILE B 94 -1.715 12.505 -3.457 1.00 0.00 H new ATOM 0 HG23 ILE B 94 -2.267 11.173 -2.413 1.00 0.00 H new ATOM 0 HD11 ILE B 94 -5.691 9.459 -4.174 1.00 0.00 H new ATOM 0 HD12 ILE B 94 -5.120 10.731 -5.279 1.00 0.00 H new ATOM 0 HD13 ILE B 94 -3.946 9.712 -4.412 1.00 0.00 H new TER 1466 ILE B 94