USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=28 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 64 TYR OH : rot -179:sc= -0.888! USER MOD Set 1.2: B 76 SER OG : rot 95:sc= 2.24 USER MOD Set 2.1: B 53 ASN : amide:sc= 0.534 K(o=-1.9,f=-3.1) USER MOD Set 2.2: B 67 ASN : amide:sc= -2.4! C(o=-1.9!,f=-3.1!) USER MOD Set 3.1: B 32 ASN : amide:sc= -1.2! K(o=-2.8!,f=0.38) USER MOD Set 3.2: B 35 GLN : amide:sc= -1.6! K(o=-2.8!,f=0.2) USER MOD Set 4.1: B 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 4.2: B 12 SER OG : rot 157:sc= 0.9 USER MOD Single : B 1 ASP N :NH3+ 151:sc= 1.29 (180deg=1.09) USER MOD Single : B 2 ASN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : B 3 GLN : amide:sc= 0 X(o=0,f=0.38) USER MOD Single : B 4 LYS NZ :NH3+ 172:sc=-0.00798 (180deg=-0.0872) USER MOD Single : B 9 GLN : amide:sc= 1.04 K(o=1,f=-6.4!) USER MOD Single : B 11 ASN : amide:sc= -0.83 K(o=-0.83,f=-0.015) USER MOD Single : B 14 ASN : amide:sc= -1.8 X(o=-1.8,f=-1.7!) USER MOD Single : B 15 SER OG : rot 180:sc= 0 USER MOD Single : B 17 ASN : amide:sc= -1.66 K(o=-1.7,f=-0.32) USER MOD Single : B 19 LYS NZ :NH3+ -167:sc= -0.0327 (180deg=-0.205) USER MOD Single : B 21 ASN : amide:sc=-0.00737 X(o=-0.0074,f=-0.42) USER MOD Single : B 22 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0737) USER MOD Single : B 24 LYS NZ :NH3+ -158:sc= -0.446! (180deg=-0.976!) USER MOD Single : B 26 LYS NZ :NH3+ 175:sc= -0.745 (180deg=-0.861) USER MOD Single : B 28 SER OG : rot 180:sc= 0 USER MOD Single : B 30 SER OG : rot 175:sc= -2.1! USER MOD Single : B 31 MET CE :methyl 152:sc= -1.34 (180deg=-2.43) USER MOD Single : B 34 ASN : amide:sc= -0.0592 X(o=-0.059,f=0) USER MOD Single : B 37 LYS NZ :NH3+ -166:sc= -0.0434 (180deg=-0.262) USER MOD Single : B 39 THR OG1 : rot 180:sc= 0 USER MOD Single : B 40 SER OG : rot 168:sc= 0.747 USER MOD Single : B 41 SER OG : rot 180:sc= -0.0158 USER MOD Single : B 42 ASN : amide:sc= 0 X(o=0,f=0) 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 180:sc= -0.12 USER MOD Single : B 52 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.061) USER MOD Single : B 59 ASN : amide:sc= -4.11! C(o=-4.1!,f=-4.1!) USER MOD Single : B 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 65 THR OG1 : rot 180:sc= -0.267 USER MOD Single : B 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 70 SER OG : rot -160:sc= -0.299 USER MOD Single : B 71 THR OG1 : rot 18:sc= 1.02 USER MOD Single : B 74 ASN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : B 77 ASN : amide:sc= -0.0287 K(o=-0.029,f=-1.2) USER MOD Single : B 80 ASN : amide:sc= -1.12! K(o=-1.1!,f=-0.031) USER MOD Single : B 81 LYS NZ :NH3+ 173:sc= 1.64 (180deg=1.44) USER MOD Single : B 83 ASN : amide:sc= -0.201 K(o=-0.2,f=-2.3!) USER MOD Single : B 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 87 MET CE :methyl -158:sc= -0.175 (180deg=-0.736) USER MOD Single : B 88 TYR OH : rot 180:sc= 0 USER MOD Single : B 92 LYS NZ :NH3+ -110:sc= 0.0261 (180deg=-0.071) USER MOD Single : B 93 GLN : amide:sc= -3.95! K(o=-4!,f=-0.52) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP B 1 16.954 -8.587 2.611 1.00 0.00 N ATOM 2 CA ASP B 1 17.927 -8.338 3.700 1.00 0.00 C ATOM 3 C ASP B 1 17.731 -6.946 4.278 1.00 0.00 C ATOM 4 O ASP B 1 17.582 -5.976 3.540 1.00 0.00 O ATOM 5 CB ASP B 1 19.357 -8.476 3.181 1.00 0.00 C ATOM 6 CG ASP B 1 20.375 -8.374 4.295 1.00 0.00 C ATOM 7 OD1 ASP B 1 20.738 -7.241 4.675 1.00 0.00 O ATOM 8 OD2 ASP B 1 20.813 -9.429 4.797 1.00 0.00 O1- ATOM 0 H1 ASP B 1 17.363 -9.255 1.926 1.00 0.00 H new ATOM 0 H2 ASP B 1 16.082 -8.990 3.010 1.00 0.00 H new ATOM 0 H3 ASP B 1 16.733 -7.691 2.131 1.00 0.00 H new ATOM 0 HA ASP B 1 17.758 -9.078 4.482 1.00 0.00 H new ATOM 0 HB2 ASP B 1 19.468 -9.435 2.675 1.00 0.00 H new ATOM 0 HB3 ASP B 1 19.551 -7.700 2.440 1.00 0.00 H new ATOM 15 N ASN B 2 17.743 -6.842 5.598 1.00 0.00 N ATOM 16 CA ASN B 2 17.526 -5.564 6.261 1.00 0.00 C ATOM 17 C ASN B 2 18.637 -5.274 7.262 1.00 0.00 C ATOM 18 O ASN B 2 18.386 -4.741 8.343 1.00 0.00 O ATOM 19 CB ASN B 2 16.174 -5.551 6.984 1.00 0.00 C ATOM 20 CG ASN B 2 14.989 -5.635 6.042 1.00 0.00 C ATOM 21 OD1 ASN B 2 15.026 -5.134 4.916 1.00 0.00 O ATOM 22 ND2 ASN B 2 13.924 -6.278 6.497 1.00 0.00 N ATOM 0 H ASN B 2 17.900 -7.626 6.231 1.00 0.00 H new ATOM 0 HA ASN B 2 17.530 -4.790 5.493 1.00 0.00 H new ATOM 0 HB2 ASN B 2 16.135 -6.388 7.681 1.00 0.00 H new ATOM 0 HB3 ASN B 2 16.095 -4.639 7.576 1.00 0.00 H new ATOM 0 HD21 ASN B 2 13.096 -6.372 5.909 1.00 0.00 H new ATOM 0 HD22 ASN B 2 13.932 -6.679 7.435 1.00 0.00 H new ATOM 29 N GLN B 3 19.864 -5.632 6.916 1.00 0.00 N ATOM 30 CA GLN B 3 20.990 -5.381 7.802 1.00 0.00 C ATOM 31 C GLN B 3 21.622 -4.022 7.513 1.00 0.00 C ATOM 32 O GLN B 3 21.497 -3.091 8.309 1.00 0.00 O ATOM 33 CB GLN B 3 22.031 -6.496 7.685 1.00 0.00 C ATOM 34 CG GLN B 3 21.507 -7.854 8.123 1.00 0.00 C ATOM 35 CD GLN B 3 22.580 -8.925 8.117 1.00 0.00 C ATOM 36 OE1 GLN B 3 22.793 -9.604 7.115 1.00 0.00 O ATOM 37 NE2 GLN B 3 23.258 -9.088 9.240 1.00 0.00 N ATOM 0 H GLN B 3 20.104 -6.092 6.038 1.00 0.00 H new ATOM 0 HA GLN B 3 20.615 -5.368 8.825 1.00 0.00 H new ATOM 0 HB2 GLN B 3 22.370 -6.561 6.651 1.00 0.00 H new ATOM 0 HB3 GLN B 3 22.900 -6.237 8.289 1.00 0.00 H new ATOM 0 HG2 GLN B 3 21.088 -7.771 9.126 1.00 0.00 H new ATOM 0 HG3 GLN B 3 20.695 -8.156 7.462 1.00 0.00 H new ATOM 0 HE21 GLN B 3 23.051 -8.504 10.050 1.00 0.00 H new ATOM 0 HE22 GLN B 3 23.988 -9.798 9.296 1.00 0.00 H new ATOM 46 N LYS B 4 22.286 -3.902 6.369 1.00 0.00 N ATOM 47 CA LYS B 4 22.973 -2.683 6.012 1.00 0.00 C ATOM 48 C LYS B 4 22.116 -1.818 5.096 1.00 0.00 C ATOM 49 O LYS B 4 21.747 -0.697 5.443 1.00 0.00 O ATOM 50 CB LYS B 4 24.287 -3.038 5.323 1.00 0.00 C ATOM 51 CG LYS B 4 25.024 -1.841 4.766 1.00 0.00 C ATOM 52 CD LYS B 4 25.456 -0.877 5.861 1.00 0.00 C ATOM 53 CE LYS B 4 26.251 0.294 5.299 1.00 0.00 C ATOM 54 NZ LYS B 4 25.450 1.130 4.367 1.00 0.00 N1+ ATOM 0 H LYS B 4 22.359 -4.644 5.673 1.00 0.00 H new ATOM 0 HA LYS B 4 23.172 -2.110 6.918 1.00 0.00 H new ATOM 0 HB2 LYS B 4 24.933 -3.552 6.035 1.00 0.00 H new ATOM 0 HB3 LYS B 4 24.084 -3.738 4.513 1.00 0.00 H new ATOM 0 HG2 LYS B 4 25.901 -2.180 4.215 1.00 0.00 H new ATOM 0 HG3 LYS B 4 24.383 -1.319 4.056 1.00 0.00 H new ATOM 0 HD2 LYS B 4 24.576 -0.502 6.384 1.00 0.00 H new ATOM 0 HD3 LYS B 4 26.061 -1.408 6.596 1.00 0.00 H new ATOM 0 HE2 LYS B 4 26.610 0.914 6.121 1.00 0.00 H new ATOM 0 HE3 LYS B 4 27.130 -0.085 4.778 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 25.988 1.985 4.118 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 25.244 0.587 3.504 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 24.558 1.404 4.826 1.00 0.00 H new ATOM 68 N ALA B 5 21.798 -2.353 3.930 1.00 0.00 N ATOM 69 CA ALA B 5 21.069 -1.601 2.922 1.00 0.00 C ATOM 70 C ALA B 5 19.566 -1.765 3.093 1.00 0.00 C ATOM 71 O ALA B 5 18.946 -2.625 2.469 1.00 0.00 O ATOM 72 CB ALA B 5 21.498 -2.033 1.531 1.00 0.00 C ATOM 0 H ALA B 5 22.033 -3.307 3.657 1.00 0.00 H new ATOM 0 HA ALA B 5 21.306 -0.545 3.050 1.00 0.00 H new ATOM 0 HB1 ALA B 5 20.944 -1.462 0.786 1.00 0.00 H new ATOM 0 HB2 ALA B 5 22.566 -1.852 1.407 1.00 0.00 H new ATOM 0 HB3 ALA B 5 21.292 -3.095 1.400 1.00 0.00 H new ATOM 78 N LEU B 6 18.986 -0.934 3.945 1.00 0.00 N ATOM 79 CA LEU B 6 17.548 -0.958 4.182 1.00 0.00 C ATOM 80 C LEU B 6 16.789 -0.459 2.961 1.00 0.00 C ATOM 81 O LEU B 6 15.614 -0.770 2.793 1.00 0.00 O ATOM 82 CB LEU B 6 17.185 -0.089 5.389 1.00 0.00 C ATOM 83 CG LEU B 6 17.724 -0.568 6.736 1.00 0.00 C ATOM 84 CD1 LEU B 6 17.353 0.417 7.830 1.00 0.00 C ATOM 85 CD2 LEU B 6 17.185 -1.950 7.065 1.00 0.00 C ATOM 0 H LEU B 6 19.490 -0.232 4.486 1.00 0.00 H new ATOM 0 HA LEU B 6 17.264 -1.991 4.382 1.00 0.00 H new ATOM 0 HB2 LEU B 6 17.553 0.921 5.210 1.00 0.00 H new ATOM 0 HB3 LEU B 6 16.099 -0.026 5.455 1.00 0.00 H new ATOM 0 HG LEU B 6 18.810 -0.628 6.673 1.00 0.00 H new ATOM 0 HD11 LEU B 6 17.743 0.064 8.785 1.00 0.00 H new ATOM 0 HD12 LEU B 6 17.781 1.393 7.601 1.00 0.00 H new ATOM 0 HD13 LEU B 6 16.268 0.502 7.890 1.00 0.00 H new ATOM 0 HD21 LEU B 6 17.580 -2.275 8.028 1.00 0.00 H new ATOM 0 HD22 LEU B 6 16.097 -1.914 7.112 1.00 0.00 H new ATOM 0 HD23 LEU B 6 17.492 -2.654 6.291 1.00 0.00 H new ATOM 97 N GLU B 7 17.483 0.302 2.114 1.00 0.00 N ATOM 98 CA GLU B 7 16.884 0.936 0.943 1.00 0.00 C ATOM 99 C GLU B 7 16.435 -0.071 -0.118 1.00 0.00 C ATOM 100 O GLU B 7 15.758 0.305 -1.074 1.00 0.00 O ATOM 101 CB GLU B 7 17.880 1.911 0.324 1.00 0.00 C ATOM 102 CG GLU B 7 18.461 2.893 1.320 1.00 0.00 C ATOM 103 CD GLU B 7 19.447 3.846 0.683 1.00 0.00 C ATOM 104 OE1 GLU B 7 19.021 4.758 -0.058 1.00 0.00 O1- ATOM 105 OE2 GLU B 7 20.662 3.682 0.913 1.00 0.00 O ATOM 0 H GLU B 7 18.479 0.495 2.222 1.00 0.00 H new ATOM 0 HA GLU B 7 15.993 1.460 1.287 1.00 0.00 H new ATOM 0 HB2 GLU B 7 18.692 1.347 -0.134 1.00 0.00 H new ATOM 0 HB3 GLU B 7 17.386 2.465 -0.475 1.00 0.00 H new ATOM 0 HG2 GLU B 7 17.653 3.463 1.777 1.00 0.00 H new ATOM 0 HG3 GLU B 7 18.956 2.344 2.121 1.00 0.00 H new ATOM 112 N GLU B 8 16.824 -1.337 0.024 1.00 0.00 N ATOM 113 CA GLU B 8 16.347 -2.368 -0.881 1.00 0.00 C ATOM 114 C GLU B 8 14.877 -2.622 -0.622 1.00 0.00 C ATOM 115 O GLU B 8 14.141 -3.139 -1.458 1.00 0.00 O ATOM 116 CB GLU B 8 17.149 -3.656 -0.721 1.00 0.00 C ATOM 117 CG GLU B 8 16.859 -4.425 0.557 1.00 0.00 C ATOM 118 CD GLU B 8 17.419 -5.831 0.523 1.00 0.00 C ATOM 119 OE1 GLU B 8 18.643 -5.989 0.336 1.00 0.00 O1- ATOM 120 OE2 GLU B 8 16.634 -6.791 0.676 1.00 0.00 O ATOM 0 H GLU B 8 17.461 -1.666 0.750 1.00 0.00 H new ATOM 0 HA GLU B 8 16.480 -2.023 -1.906 1.00 0.00 H new ATOM 0 HB2 GLU B 8 16.946 -4.304 -1.574 1.00 0.00 H new ATOM 0 HB3 GLU B 8 18.211 -3.414 -0.751 1.00 0.00 H new ATOM 0 HG2 GLU B 8 17.283 -3.888 1.405 1.00 0.00 H new ATOM 0 HG3 GLU B 8 15.781 -4.470 0.715 1.00 0.00 H new ATOM 127 N GLN B 9 14.494 -2.243 0.566 1.00 0.00 N ATOM 128 CA GLN B 9 13.118 -2.279 1.019 1.00 0.00 C ATOM 129 C GLN B 9 12.789 -0.896 1.587 1.00 0.00 C ATOM 130 O GLN B 9 13.497 0.069 1.307 1.00 0.00 O ATOM 131 CB GLN B 9 12.953 -3.390 2.074 1.00 0.00 C ATOM 132 CG GLN B 9 11.508 -3.799 2.347 1.00 0.00 C ATOM 133 CD GLN B 9 11.397 -5.097 3.127 1.00 0.00 C ATOM 134 OE1 GLN B 9 11.299 -6.180 2.549 1.00 0.00 O ATOM 135 NE2 GLN B 9 11.419 -5.000 4.445 1.00 0.00 N ATOM 0 H GLN B 9 15.143 -1.890 1.270 1.00 0.00 H new ATOM 0 HA GLN B 9 12.430 -2.506 0.205 1.00 0.00 H new ATOM 0 HB2 GLN B 9 13.510 -4.268 1.747 1.00 0.00 H new ATOM 0 HB3 GLN B 9 13.405 -3.056 3.008 1.00 0.00 H new ATOM 0 HG2 GLN B 9 11.010 -3.004 2.902 1.00 0.00 H new ATOM 0 HG3 GLN B 9 10.981 -3.905 1.399 1.00 0.00 H new ATOM 0 HE21 GLN B 9 11.501 -4.085 4.888 1.00 0.00 H new ATOM 0 HE22 GLN B 9 11.354 -5.840 5.019 1.00 0.00 H new ATOM 144 N MET B 10 11.721 -0.775 2.351 1.00 0.00 N ATOM 145 CA MET B 10 11.415 0.477 3.021 1.00 0.00 C ATOM 146 C MET B 10 10.497 0.216 4.200 1.00 0.00 C ATOM 147 O MET B 10 9.572 -0.586 4.110 1.00 0.00 O ATOM 148 CB MET B 10 10.762 1.466 2.052 1.00 0.00 C ATOM 149 CG MET B 10 10.564 2.850 2.647 1.00 0.00 C ATOM 150 SD MET B 10 12.116 3.641 3.103 1.00 0.00 S ATOM 151 CE MET B 10 11.525 5.224 3.696 1.00 0.00 C ATOM 0 H MET B 10 11.052 -1.525 2.524 1.00 0.00 H new ATOM 0 HA MET B 10 12.345 0.917 3.380 1.00 0.00 H new ATOM 0 HB2 MET B 10 11.379 1.548 1.157 1.00 0.00 H new ATOM 0 HB3 MET B 10 9.796 1.072 1.738 1.00 0.00 H new ATOM 0 HG2 MET B 10 10.039 3.478 1.928 1.00 0.00 H new ATOM 0 HG3 MET B 10 9.927 2.774 3.528 1.00 0.00 H new ATOM 0 HE1 MET B 10 12.371 5.832 4.016 1.00 0.00 H new ATOM 0 HE2 MET B 10 10.993 5.737 2.895 1.00 0.00 H new ATOM 0 HE3 MET B 10 10.851 5.068 4.538 1.00 0.00 H new ATOM 161 N ASN B 11 10.765 0.888 5.313 1.00 0.00 N ATOM 162 CA ASN B 11 9.967 0.744 6.517 1.00 0.00 C ATOM 163 C ASN B 11 8.485 0.993 6.232 1.00 0.00 C ATOM 164 O ASN B 11 7.612 0.417 6.876 1.00 0.00 O ATOM 165 CB ASN B 11 10.448 1.714 7.600 1.00 0.00 C ATOM 166 CG ASN B 11 9.834 1.426 8.962 1.00 0.00 C ATOM 167 OD1 ASN B 11 9.496 2.343 9.711 1.00 0.00 O ATOM 168 ND2 ASN B 11 9.717 0.153 9.307 1.00 0.00 N ATOM 0 H ASN B 11 11.540 1.545 5.403 1.00 0.00 H new ATOM 0 HA ASN B 11 10.087 -0.280 6.870 1.00 0.00 H new ATOM 0 HB2 ASN B 11 11.534 1.657 7.676 1.00 0.00 H new ATOM 0 HB3 ASN B 11 10.202 2.734 7.304 1.00 0.00 H new ATOM 0 HD21 ASN B 11 9.336 -0.095 10.220 1.00 0.00 H new ATOM 0 HD22 ASN B 11 10.008 -0.580 8.660 1.00 0.00 H new ATOM 175 N SER B 12 8.218 1.821 5.230 1.00 0.00 N ATOM 176 CA SER B 12 6.862 2.221 4.896 1.00 0.00 C ATOM 177 C SER B 12 6.111 1.101 4.184 1.00 0.00 C ATOM 178 O SER B 12 4.890 1.137 4.102 1.00 0.00 O ATOM 179 CB SER B 12 6.897 3.467 4.020 1.00 0.00 C ATOM 180 OG SER B 12 7.788 4.430 4.552 1.00 0.00 O ATOM 0 H SER B 12 8.934 2.231 4.630 1.00 0.00 H new ATOM 0 HA SER B 12 6.332 2.440 5.823 1.00 0.00 H new ATOM 0 HB2 SER B 12 7.206 3.198 3.010 1.00 0.00 H new ATOM 0 HB3 SER B 12 5.896 3.893 3.945 1.00 0.00 H new ATOM 0 HG SER B 12 8.080 5.035 3.838 1.00 0.00 H new ATOM 186 N ILE B 13 6.842 0.108 3.673 1.00 0.00 N ATOM 187 CA ILE B 13 6.218 -1.058 3.047 1.00 0.00 C ATOM 188 C ILE B 13 5.289 -1.721 4.050 1.00 0.00 C ATOM 189 O ILE B 13 4.151 -2.089 3.751 1.00 0.00 O ATOM 190 CB ILE B 13 7.269 -2.105 2.616 1.00 0.00 C ATOM 191 CG1 ILE B 13 8.309 -1.491 1.679 1.00 0.00 C ATOM 192 CG2 ILE B 13 6.598 -3.300 1.957 1.00 0.00 C ATOM 193 CD1 ILE B 13 7.872 -1.404 0.230 1.00 0.00 C ATOM 0 H ILE B 13 7.862 0.088 3.680 1.00 0.00 H new ATOM 0 HA ILE B 13 5.678 -0.712 2.165 1.00 0.00 H new ATOM 0 HB ILE B 13 7.785 -2.448 3.513 1.00 0.00 H new ATOM 0 HG12 ILE B 13 8.553 -0.489 2.033 1.00 0.00 H new ATOM 0 HG13 ILE B 13 9.224 -2.081 1.735 1.00 0.00 H new ATOM 0 HG21 ILE B 13 7.356 -4.025 1.661 1.00 0.00 H new ATOM 0 HG22 ILE B 13 5.907 -3.764 2.661 1.00 0.00 H new ATOM 0 HG23 ILE B 13 6.049 -2.969 1.076 1.00 0.00 H new ATOM 0 HD11 ILE B 13 8.669 -0.957 -0.364 1.00 0.00 H new ATOM 0 HD12 ILE B 13 7.657 -2.404 -0.146 1.00 0.00 H new ATOM 0 HD13 ILE B 13 6.976 -0.788 0.157 1.00 0.00 H new ATOM 205 N ASN B 14 5.809 -1.832 5.255 1.00 0.00 N ATOM 206 CA ASN B 14 5.116 -2.453 6.363 1.00 0.00 C ATOM 207 C ASN B 14 3.962 -1.568 6.810 1.00 0.00 C ATOM 208 O ASN B 14 2.930 -2.052 7.272 1.00 0.00 O ATOM 209 CB ASN B 14 6.113 -2.668 7.504 1.00 0.00 C ATOM 210 CG ASN B 14 7.391 -3.336 7.016 1.00 0.00 C ATOM 211 OD1 ASN B 14 7.531 -4.557 7.077 1.00 0.00 O ATOM 212 ND2 ASN B 14 8.332 -2.536 6.513 1.00 0.00 N ATOM 0 H ASN B 14 6.739 -1.488 5.495 1.00 0.00 H new ATOM 0 HA ASN B 14 4.705 -3.416 6.060 1.00 0.00 H new ATOM 0 HB2 ASN B 14 6.355 -1.709 7.961 1.00 0.00 H new ATOM 0 HB3 ASN B 14 5.654 -3.283 8.278 1.00 0.00 H new ATOM 0 HD21 ASN B 14 9.204 -2.932 6.162 1.00 0.00 H new ATOM 0 HD22 ASN B 14 8.180 -1.528 6.479 1.00 0.00 H new ATOM 219 N SER B 15 4.142 -0.264 6.641 1.00 0.00 N ATOM 220 CA SER B 15 3.112 0.696 6.960 1.00 0.00 C ATOM 221 C SER B 15 1.975 0.596 5.944 1.00 0.00 C ATOM 222 O SER B 15 0.810 0.707 6.308 1.00 0.00 O ATOM 223 CB SER B 15 3.693 2.113 6.995 1.00 0.00 C ATOM 224 OG SER B 15 2.777 3.036 7.564 1.00 0.00 O ATOM 0 H SER B 15 5.003 0.148 6.281 1.00 0.00 H new ATOM 0 HA SER B 15 2.712 0.473 7.949 1.00 0.00 H new ATOM 0 HB2 SER B 15 4.618 2.114 7.572 1.00 0.00 H new ATOM 0 HB3 SER B 15 3.948 2.428 5.983 1.00 0.00 H new ATOM 0 HG SER B 15 3.177 3.930 7.574 1.00 0.00 H new ATOM 230 N VAL B 16 2.323 0.369 4.672 1.00 0.00 N ATOM 231 CA VAL B 16 1.326 0.138 3.625 1.00 0.00 C ATOM 232 C VAL B 16 0.355 -0.943 4.068 1.00 0.00 C ATOM 233 O VAL B 16 -0.863 -0.766 4.030 1.00 0.00 O ATOM 234 CB VAL B 16 1.976 -0.310 2.295 1.00 0.00 C ATOM 235 CG1 VAL B 16 0.914 -0.646 1.257 1.00 0.00 C ATOM 236 CG2 VAL B 16 2.916 0.754 1.756 1.00 0.00 C ATOM 0 H VAL B 16 3.289 0.341 4.345 1.00 0.00 H new ATOM 0 HA VAL B 16 0.808 1.083 3.461 1.00 0.00 H new ATOM 0 HB VAL B 16 2.558 -1.208 2.501 1.00 0.00 H new ATOM 0 HG11 VAL B 16 1.396 -0.958 0.331 1.00 0.00 H new ATOM 0 HG12 VAL B 16 0.285 -1.455 1.629 1.00 0.00 H new ATOM 0 HG13 VAL B 16 0.299 0.234 1.067 1.00 0.00 H new ATOM 0 HG21 VAL B 16 3.357 0.410 0.821 1.00 0.00 H new ATOM 0 HG22 VAL B 16 2.360 1.674 1.578 1.00 0.00 H new ATOM 0 HG23 VAL B 16 3.707 0.943 2.482 1.00 0.00 H new ATOM 246 N ASN B 17 0.923 -2.055 4.513 1.00 0.00 N ATOM 247 CA ASN B 17 0.146 -3.182 4.999 1.00 0.00 C ATOM 248 C ASN B 17 -0.734 -2.769 6.172 1.00 0.00 C ATOM 249 O ASN B 17 -1.930 -3.028 6.173 1.00 0.00 O ATOM 250 CB ASN B 17 1.087 -4.314 5.425 1.00 0.00 C ATOM 251 CG ASN B 17 0.366 -5.528 5.991 1.00 0.00 C ATOM 252 OD1 ASN B 17 0.883 -6.201 6.884 1.00 0.00 O ATOM 253 ND2 ASN B 17 -0.817 -5.829 5.478 1.00 0.00 N ATOM 0 H ASN B 17 1.932 -2.199 4.547 1.00 0.00 H new ATOM 0 HA ASN B 17 -0.500 -3.530 4.193 1.00 0.00 H new ATOM 0 HB2 ASN B 17 1.681 -4.624 4.565 1.00 0.00 H new ATOM 0 HB3 ASN B 17 1.783 -3.934 6.173 1.00 0.00 H new ATOM 0 HD21 ASN B 17 -1.330 -6.641 5.822 1.00 0.00 H new ATOM 0 HD22 ASN B 17 -1.215 -5.249 4.739 1.00 0.00 H new ATOM 260 N ASP B 18 -0.141 -2.101 7.148 1.00 0.00 N ATOM 261 CA ASP B 18 -0.843 -1.758 8.376 1.00 0.00 C ATOM 262 C ASP B 18 -1.917 -0.691 8.152 1.00 0.00 C ATOM 263 O ASP B 18 -2.927 -0.671 8.854 1.00 0.00 O ATOM 264 CB ASP B 18 0.156 -1.278 9.425 1.00 0.00 C ATOM 265 CG ASP B 18 0.239 -2.206 10.619 1.00 0.00 C ATOM 266 OD1 ASP B 18 -0.535 -2.013 11.583 1.00 0.00 O1- ATOM 267 OD2 ASP B 18 1.084 -3.126 10.609 1.00 0.00 O ATOM 0 H ASP B 18 0.828 -1.784 7.114 1.00 0.00 H new ATOM 0 HA ASP B 18 -1.348 -2.658 8.727 1.00 0.00 H new ATOM 0 HB2 ASP B 18 1.142 -1.190 8.969 1.00 0.00 H new ATOM 0 HB3 ASP B 18 -0.129 -0.282 9.763 1.00 0.00 H new ATOM 272 N LYS B 19 -1.696 0.200 7.186 1.00 0.00 N ATOM 273 CA LYS B 19 -2.661 1.268 6.896 1.00 0.00 C ATOM 274 C LYS B 19 -3.852 0.741 6.119 1.00 0.00 C ATOM 275 O LYS B 19 -4.938 1.320 6.137 1.00 0.00 O ATOM 276 CB LYS B 19 -2.014 2.410 6.111 1.00 0.00 C ATOM 277 CG LYS B 19 -0.903 3.116 6.867 1.00 0.00 C ATOM 278 CD LYS B 19 -1.190 3.171 8.355 1.00 0.00 C ATOM 279 CE LYS B 19 -2.420 4.008 8.667 1.00 0.00 C ATOM 280 NZ LYS B 19 -2.266 5.425 8.239 1.00 0.00 N1+ ATOM 0 H LYS B 19 -0.866 0.207 6.594 1.00 0.00 H new ATOM 0 HA LYS B 19 -3.004 1.649 7.858 1.00 0.00 H new ATOM 0 HB2 LYS B 19 -1.613 2.016 5.177 1.00 0.00 H new ATOM 0 HB3 LYS B 19 -2.781 3.138 5.846 1.00 0.00 H new ATOM 0 HG2 LYS B 19 0.041 2.598 6.696 1.00 0.00 H new ATOM 0 HG3 LYS B 19 -0.785 4.128 6.481 1.00 0.00 H new ATOM 0 HD2 LYS B 19 -1.334 2.159 8.734 1.00 0.00 H new ATOM 0 HD3 LYS B 19 -0.327 3.586 8.876 1.00 0.00 H new ATOM 0 HE2 LYS B 19 -3.287 3.573 8.170 1.00 0.00 H new ATOM 0 HE3 LYS B 19 -2.617 3.974 9.739 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 -3.023 6.000 8.662 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 -1.342 5.784 8.553 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 -2.326 5.483 7.202 1.00 0.00 H new ATOM 294 N LEU B 20 -3.633 -0.356 5.437 1.00 0.00 N ATOM 295 CA LEU B 20 -4.670 -0.964 4.618 1.00 0.00 C ATOM 296 C LEU B 20 -5.367 -2.096 5.363 1.00 0.00 C ATOM 297 O LEU B 20 -6.591 -2.215 5.322 1.00 0.00 O ATOM 298 CB LEU B 20 -4.083 -1.469 3.303 1.00 0.00 C ATOM 299 CG LEU B 20 -3.583 -0.377 2.356 1.00 0.00 C ATOM 300 CD1 LEU B 20 -2.953 -0.988 1.114 1.00 0.00 C ATOM 301 CD2 LEU B 20 -4.725 0.549 1.974 1.00 0.00 C ATOM 0 H LEU B 20 -2.743 -0.854 5.429 1.00 0.00 H new ATOM 0 HA LEU B 20 -5.416 -0.200 4.396 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -3.255 -2.142 3.527 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -4.841 -2.058 2.786 1.00 0.00 H new ATOM 0 HG LEU B 20 -2.819 0.205 2.872 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -2.604 -0.193 0.454 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -2.110 -1.615 1.404 1.00 0.00 H new ATOM 0 HD13 LEU B 20 -3.693 -1.595 0.592 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -4.357 1.322 1.300 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -5.507 -0.024 1.476 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -5.132 1.014 2.872 1.00 0.00 H new ATOM 313 N ASN B 21 -4.584 -2.904 6.057 1.00 0.00 N ATOM 314 CA ASN B 21 -5.107 -4.036 6.811 1.00 0.00 C ATOM 315 C ASN B 21 -5.567 -3.581 8.192 1.00 0.00 C ATOM 316 O ASN B 21 -4.905 -3.827 9.203 1.00 0.00 O ATOM 317 CB ASN B 21 -4.031 -5.116 6.937 1.00 0.00 C ATOM 318 CG ASN B 21 -4.521 -6.375 7.627 1.00 0.00 C ATOM 319 OD1 ASN B 21 -5.678 -6.774 7.485 1.00 0.00 O ATOM 320 ND2 ASN B 21 -3.640 -6.998 8.391 1.00 0.00 N ATOM 0 H ASN B 21 -3.571 -2.797 6.115 1.00 0.00 H new ATOM 0 HA ASN B 21 -5.964 -4.452 6.281 1.00 0.00 H new ATOM 0 HB2 ASN B 21 -3.667 -5.374 5.943 1.00 0.00 H new ATOM 0 HB3 ASN B 21 -3.184 -4.712 7.492 1.00 0.00 H new ATOM 0 HD21 ASN B 21 -3.908 -7.845 8.892 1.00 0.00 H new ATOM 0 HD22 ASN B 21 -2.692 -6.632 8.479 1.00 0.00 H new ATOM 327 N LYS B 22 -6.691 -2.887 8.221 1.00 0.00 N ATOM 328 CA LYS B 22 -7.264 -2.402 9.470 1.00 0.00 C ATOM 329 C LYS B 22 -8.625 -3.042 9.717 1.00 0.00 C ATOM 330 O LYS B 22 -8.763 -3.929 10.562 1.00 0.00 O ATOM 331 CB LYS B 22 -7.398 -0.879 9.445 1.00 0.00 C ATOM 332 CG LYS B 22 -6.072 -0.144 9.318 1.00 0.00 C ATOM 333 CD LYS B 22 -6.270 1.364 9.249 1.00 0.00 C ATOM 334 CE LYS B 22 -6.813 1.924 10.556 1.00 0.00 C ATOM 335 NZ LYS B 22 -5.816 1.850 11.659 1.00 0.00 N1+ ATOM 0 H LYS B 22 -7.230 -2.644 7.390 1.00 0.00 H new ATOM 0 HA LYS B 22 -6.593 -2.680 10.283 1.00 0.00 H new ATOM 0 HB2 LYS B 22 -8.041 -0.595 8.612 1.00 0.00 H new ATOM 0 HB3 LYS B 22 -7.897 -0.553 10.358 1.00 0.00 H new ATOM 0 HG2 LYS B 22 -5.437 -0.389 10.169 1.00 0.00 H new ATOM 0 HG3 LYS B 22 -5.551 -0.484 8.423 1.00 0.00 H new ATOM 0 HD2 LYS B 22 -5.320 1.845 9.014 1.00 0.00 H new ATOM 0 HD3 LYS B 22 -6.957 1.603 8.438 1.00 0.00 H new ATOM 0 HE2 LYS B 22 -7.112 2.962 10.408 1.00 0.00 H new ATOM 0 HE3 LYS B 22 -7.709 1.372 10.841 1.00 0.00 H new ATOM 0 HZ1 LYS B 22 -6.170 2.377 12.483 1.00 0.00 H new ATOM 0 HZ2 LYS B 22 -5.663 0.856 11.923 1.00 0.00 H new ATOM 0 HZ3 LYS B 22 -4.917 2.266 11.343 1.00 0.00 H new ATOM 349 N GLY B 23 -9.623 -2.592 8.972 1.00 0.00 N ATOM 350 CA GLY B 23 -10.951 -3.161 9.075 1.00 0.00 C ATOM 351 C GLY B 23 -11.697 -3.062 7.765 1.00 0.00 C ATOM 352 O GLY B 23 -12.889 -2.753 7.737 1.00 0.00 O ATOM 0 H GLY B 23 -9.536 -1.836 8.292 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -10.878 -4.206 9.376 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -11.511 -2.643 9.854 1.00 0.00 H new ATOM 356 N LYS B 24 -10.985 -3.312 6.677 1.00 0.00 N ATOM 357 CA LYS B 24 -11.557 -3.218 5.344 1.00 0.00 C ATOM 358 C LYS B 24 -11.667 -4.610 4.744 1.00 0.00 C ATOM 359 O LYS B 24 -11.921 -5.588 5.451 1.00 0.00 O ATOM 360 CB LYS B 24 -10.673 -2.346 4.440 1.00 0.00 C ATOM 361 CG LYS B 24 -9.981 -1.213 5.173 1.00 0.00 C ATOM 362 CD LYS B 24 -9.174 -0.330 4.236 1.00 0.00 C ATOM 363 CE LYS B 24 -8.313 0.661 5.008 1.00 0.00 C ATOM 364 NZ LYS B 24 -7.596 1.603 4.106 1.00 0.00 N1+ ATOM 0 H LYS B 24 -10.002 -3.584 6.693 1.00 0.00 H new ATOM 0 HA LYS B 24 -12.545 -2.763 5.417 1.00 0.00 H new ATOM 0 HB2 LYS B 24 -9.919 -2.976 3.968 1.00 0.00 H new ATOM 0 HB3 LYS B 24 -11.286 -1.929 3.641 1.00 0.00 H new ATOM 0 HG2 LYS B 24 -10.726 -0.607 5.688 1.00 0.00 H new ATOM 0 HG3 LYS B 24 -9.323 -1.626 5.937 1.00 0.00 H new ATOM 0 HD2 LYS B 24 -8.539 -0.952 3.605 1.00 0.00 H new ATOM 0 HD3 LYS B 24 -9.849 0.212 3.573 1.00 0.00 H new ATOM 0 HE2 LYS B 24 -8.941 1.227 5.696 1.00 0.00 H new ATOM 0 HE3 LYS B 24 -7.588 0.116 5.612 1.00 0.00 H new ATOM 0 HZ1 LYS B 24 -6.769 1.994 4.600 1.00 0.00 H new ATOM 0 HZ2 LYS B 24 -7.283 1.097 3.253 1.00 0.00 H new ATOM 0 HZ3 LYS B 24 -8.235 2.377 3.834 1.00 0.00 H new ATOM 378 N GLY B 25 -11.474 -4.691 3.438 1.00 0.00 N ATOM 379 CA GLY B 25 -11.422 -5.976 2.780 1.00 0.00 C ATOM 380 C GLY B 25 -10.157 -6.721 3.157 1.00 0.00 C ATOM 381 O GLY B 25 -9.162 -6.096 3.531 1.00 0.00 O ATOM 0 H GLY B 25 -11.352 -3.888 2.821 1.00 0.00 H new ATOM 0 HA2 GLY B 25 -12.295 -6.568 3.057 1.00 0.00 H new ATOM 0 HA3 GLY B 25 -11.460 -5.838 1.699 1.00 0.00 H new ATOM 385 N LYS B 26 -10.194 -8.045 3.087 1.00 0.00 N ATOM 386 CA LYS B 26 -9.027 -8.855 3.395 1.00 0.00 C ATOM 387 C LYS B 26 -7.904 -8.531 2.426 1.00 0.00 C ATOM 388 O LYS B 26 -8.078 -8.645 1.215 1.00 0.00 O ATOM 389 CB LYS B 26 -9.369 -10.340 3.292 1.00 0.00 C ATOM 390 CG LYS B 26 -9.067 -11.125 4.555 1.00 0.00 C ATOM 391 CD LYS B 26 -9.210 -12.625 4.332 1.00 0.00 C ATOM 392 CE LYS B 26 -10.655 -13.033 4.081 1.00 0.00 C ATOM 393 NZ LYS B 26 -11.498 -12.865 5.294 1.00 0.00 N1+ ATOM 0 H LYS B 26 -11.021 -8.579 2.819 1.00 0.00 H new ATOM 0 HA LYS B 26 -8.708 -8.631 4.413 1.00 0.00 H new ATOM 0 HB2 LYS B 26 -10.428 -10.444 3.055 1.00 0.00 H new ATOM 0 HB3 LYS B 26 -8.812 -10.775 2.462 1.00 0.00 H new ATOM 0 HG2 LYS B 26 -8.054 -10.901 4.889 1.00 0.00 H new ATOM 0 HG3 LYS B 26 -9.742 -10.809 5.350 1.00 0.00 H new ATOM 0 HD2 LYS B 26 -8.597 -12.925 3.482 1.00 0.00 H new ATOM 0 HD3 LYS B 26 -8.830 -13.158 5.203 1.00 0.00 H new ATOM 0 HE2 LYS B 26 -11.065 -12.434 3.268 1.00 0.00 H new ATOM 0 HE3 LYS B 26 -10.687 -14.073 3.758 1.00 0.00 H new ATOM 0 HZ1 LYS B 26 -12.490 -13.072 5.059 1.00 0.00 H new ATOM 0 HZ2 LYS B 26 -11.174 -13.518 6.035 1.00 0.00 H new ATOM 0 HZ3 LYS B 26 -11.421 -11.886 5.637 1.00 0.00 H new ATOM 407 N LEU B 27 -6.771 -8.105 2.951 1.00 0.00 N ATOM 408 CA LEU B 27 -5.636 -7.796 2.143 1.00 0.00 C ATOM 409 C LEU B 27 -4.362 -8.103 2.926 1.00 0.00 C ATOM 410 O LEU B 27 -3.912 -7.313 3.759 1.00 0.00 O ATOM 411 CB LEU B 27 -5.692 -6.334 1.722 1.00 0.00 C ATOM 412 CG LEU B 27 -4.406 -5.826 1.120 1.00 0.00 C ATOM 413 CD1 LEU B 27 -4.126 -6.510 -0.212 1.00 0.00 C ATOM 414 CD2 LEU B 27 -4.439 -4.317 0.960 1.00 0.00 C ATOM 0 H LEU B 27 -6.625 -7.968 3.951 1.00 0.00 H new ATOM 0 HA LEU B 27 -5.639 -8.407 1.240 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -6.497 -6.204 0.999 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -5.942 -5.724 2.590 1.00 0.00 H new ATOM 0 HG LEU B 27 -3.593 -6.071 1.803 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -3.194 -6.128 -0.628 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -4.041 -7.586 -0.058 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -4.943 -6.306 -0.904 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -3.500 -3.977 0.524 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -5.265 -4.038 0.306 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -4.576 -3.851 1.936 1.00 0.00 H new ATOM 426 N SER B 28 -3.810 -9.272 2.668 1.00 0.00 N ATOM 427 CA SER B 28 -2.648 -9.753 3.390 1.00 0.00 C ATOM 428 C SER B 28 -1.376 -9.515 2.587 1.00 0.00 C ATOM 429 O SER B 28 -1.209 -10.072 1.503 1.00 0.00 O ATOM 430 CB SER B 28 -2.822 -11.239 3.687 1.00 0.00 C ATOM 431 OG SER B 28 -4.015 -11.467 4.424 1.00 0.00 O ATOM 0 H SER B 28 -4.153 -9.914 1.954 1.00 0.00 H new ATOM 0 HA SER B 28 -2.558 -9.204 4.327 1.00 0.00 H new ATOM 0 HB2 SER B 28 -2.852 -11.801 2.753 1.00 0.00 H new ATOM 0 HB3 SER B 28 -1.964 -11.605 4.251 1.00 0.00 H new ATOM 0 HG SER B 28 -4.110 -12.426 4.604 1.00 0.00 H new ATOM 437 N LEU B 29 -0.486 -8.685 3.116 1.00 0.00 N ATOM 438 CA LEU B 29 0.746 -8.341 2.419 1.00 0.00 C ATOM 439 C LEU B 29 1.940 -9.108 2.968 1.00 0.00 C ATOM 440 O LEU B 29 1.875 -9.727 4.030 1.00 0.00 O ATOM 441 CB LEU B 29 1.047 -6.840 2.516 1.00 0.00 C ATOM 442 CG LEU B 29 0.266 -5.927 1.566 1.00 0.00 C ATOM 443 CD1 LEU B 29 -1.210 -5.918 1.903 1.00 0.00 C ATOM 444 CD2 LEU B 29 0.828 -4.515 1.609 1.00 0.00 C ATOM 0 H LEU B 29 -0.595 -8.237 4.026 1.00 0.00 H new ATOM 0 HA LEU B 29 0.590 -8.616 1.376 1.00 0.00 H new ATOM 0 HB2 LEU B 29 0.851 -6.517 3.539 1.00 0.00 H new ATOM 0 HB3 LEU B 29 2.111 -6.692 2.334 1.00 0.00 H new ATOM 0 HG LEU B 29 0.377 -6.320 0.555 1.00 0.00 H new ATOM 0 HD11 LEU B 29 -1.737 -5.261 1.211 1.00 0.00 H new ATOM 0 HD12 LEU B 29 -1.609 -6.929 1.818 1.00 0.00 H new ATOM 0 HD13 LEU B 29 -1.348 -5.558 2.922 1.00 0.00 H new ATOM 0 HD21 LEU B 29 0.263 -3.878 0.929 1.00 0.00 H new ATOM 0 HD22 LEU B 29 0.750 -4.123 2.623 1.00 0.00 H new ATOM 0 HD23 LEU B 29 1.875 -4.531 1.306 1.00 0.00 H new ATOM 456 N SER B 30 3.022 -9.042 2.217 1.00 0.00 N ATOM 457 CA SER B 30 4.296 -9.594 2.609 1.00 0.00 C ATOM 458 C SER B 30 5.407 -8.755 1.988 1.00 0.00 C ATOM 459 O SER B 30 5.255 -8.236 0.877 1.00 0.00 O ATOM 460 CB SER B 30 4.399 -11.047 2.165 1.00 0.00 C ATOM 461 OG SER B 30 3.683 -11.267 0.959 1.00 0.00 O ATOM 0 H SER B 30 3.036 -8.594 1.301 1.00 0.00 H new ATOM 0 HA SER B 30 4.393 -9.570 3.694 1.00 0.00 H new ATOM 0 HB2 SER B 30 5.446 -11.313 2.023 1.00 0.00 H new ATOM 0 HB3 SER B 30 4.008 -11.698 2.947 1.00 0.00 H new ATOM 0 HG SER B 30 3.832 -12.186 0.653 1.00 0.00 H new ATOM 467 N MET B 31 6.515 -8.625 2.697 1.00 0.00 N ATOM 468 CA MET B 31 7.555 -7.679 2.317 1.00 0.00 C ATOM 469 C MET B 31 8.748 -8.408 1.722 1.00 0.00 C ATOM 470 O MET B 31 9.381 -9.225 2.393 1.00 0.00 O ATOM 471 CB MET B 31 8.012 -6.869 3.536 1.00 0.00 C ATOM 472 CG MET B 31 6.931 -6.657 4.587 1.00 0.00 C ATOM 473 SD MET B 31 5.480 -5.794 3.953 1.00 0.00 S ATOM 474 CE MET B 31 4.393 -5.901 5.371 1.00 0.00 C ATOM 0 H MET B 31 6.720 -9.162 3.540 1.00 0.00 H new ATOM 0 HA MET B 31 7.140 -7.003 1.570 1.00 0.00 H new ATOM 0 HB2 MET B 31 8.858 -7.377 3.999 1.00 0.00 H new ATOM 0 HB3 MET B 31 8.370 -5.896 3.198 1.00 0.00 H new ATOM 0 HG2 MET B 31 6.625 -7.625 4.984 1.00 0.00 H new ATOM 0 HG3 MET B 31 7.349 -6.089 5.418 1.00 0.00 H new ATOM 0 HE1 MET B 31 3.707 -5.054 5.368 1.00 0.00 H new ATOM 0 HE2 MET B 31 3.823 -6.829 5.324 1.00 0.00 H new ATOM 0 HE3 MET B 31 4.986 -5.885 6.286 1.00 0.00 H new ATOM 484 N ASN B 32 9.054 -8.120 0.466 1.00 0.00 N ATOM 485 CA ASN B 32 10.209 -8.723 -0.182 1.00 0.00 C ATOM 486 C ASN B 32 11.012 -7.655 -0.916 1.00 0.00 C ATOM 487 O ASN B 32 11.173 -7.712 -2.134 1.00 0.00 O ATOM 488 CB ASN B 32 9.769 -9.829 -1.150 1.00 0.00 C ATOM 489 CG ASN B 32 10.921 -10.724 -1.585 1.00 0.00 C ATOM 490 OD1 ASN B 32 11.174 -11.764 -0.982 1.00 0.00 O ATOM 491 ND2 ASN B 32 11.642 -10.318 -2.618 1.00 0.00 N ATOM 0 H ASN B 32 8.523 -7.477 -0.122 1.00 0.00 H new ATOM 0 HA ASN B 32 10.843 -9.174 0.582 1.00 0.00 H new ATOM 0 HB2 ASN B 32 9.001 -10.438 -0.673 1.00 0.00 H new ATOM 0 HB3 ASN B 32 9.315 -9.375 -2.031 1.00 0.00 H new ATOM 0 HD21 ASN B 32 12.436 -10.874 -2.936 1.00 0.00 H new ATOM 0 HD22 ASN B 32 11.404 -9.449 -3.096 1.00 0.00 H new ATOM 498 N GLY B 33 11.501 -6.681 -0.153 1.00 0.00 N ATOM 499 CA GLY B 33 12.324 -5.612 -0.696 1.00 0.00 C ATOM 500 C GLY B 33 11.716 -4.933 -1.902 1.00 0.00 C ATOM 501 O GLY B 33 10.775 -4.150 -1.780 1.00 0.00 O ATOM 0 H GLY B 33 11.338 -6.613 0.852 1.00 0.00 H new ATOM 0 HA2 GLY B 33 12.497 -4.867 0.081 1.00 0.00 H new ATOM 0 HA3 GLY B 33 13.298 -6.018 -0.970 1.00 0.00 H new ATOM 505 N ASN B 34 12.245 -5.259 -3.072 1.00 0.00 N ATOM 506 CA ASN B 34 11.811 -4.646 -4.316 1.00 0.00 C ATOM 507 C ASN B 34 10.593 -5.358 -4.880 1.00 0.00 C ATOM 508 O ASN B 34 10.346 -5.316 -6.084 1.00 0.00 O ATOM 509 CB ASN B 34 12.943 -4.650 -5.349 1.00 0.00 C ATOM 510 CG ASN B 34 14.114 -3.777 -4.939 1.00 0.00 C ATOM 511 OD1 ASN B 34 15.038 -4.233 -4.264 1.00 0.00 O ATOM 512 ND2 ASN B 34 14.096 -2.520 -5.355 1.00 0.00 N ATOM 0 H ASN B 34 12.984 -5.953 -3.185 1.00 0.00 H new ATOM 0 HA ASN B 34 11.539 -3.614 -4.097 1.00 0.00 H new ATOM 0 HB2 ASN B 34 13.291 -5.672 -5.496 1.00 0.00 H new ATOM 0 HB3 ASN B 34 12.556 -4.304 -6.307 1.00 0.00 H new ATOM 0 HD21 ASN B 34 14.865 -1.893 -5.118 1.00 0.00 H new ATOM 0 HD22 ASN B 34 13.313 -2.178 -5.912 1.00 0.00 H new ATOM 519 N GLN B 35 9.851 -6.038 -4.013 1.00 0.00 N ATOM 520 CA GLN B 35 8.582 -6.629 -4.393 1.00 0.00 C ATOM 521 C GLN B 35 7.558 -6.431 -3.305 1.00 0.00 C ATOM 522 O GLN B 35 7.885 -6.368 -2.118 1.00 0.00 O ATOM 523 CB GLN B 35 8.688 -8.127 -4.667 1.00 0.00 C ATOM 524 CG GLN B 35 9.763 -8.482 -5.662 1.00 0.00 C ATOM 525 CD GLN B 35 9.675 -9.922 -6.120 1.00 0.00 C ATOM 526 OE1 GLN B 35 9.019 -10.229 -7.114 1.00 0.00 O ATOM 527 NE2 GLN B 35 10.326 -10.817 -5.397 1.00 0.00 N ATOM 0 H GLN B 35 10.112 -6.192 -3.039 1.00 0.00 H new ATOM 0 HA GLN B 35 8.280 -6.124 -5.311 1.00 0.00 H new ATOM 0 HB2 GLN B 35 8.886 -8.647 -3.729 1.00 0.00 H new ATOM 0 HB3 GLN B 35 7.729 -8.490 -5.036 1.00 0.00 H new ATOM 0 HG2 GLN B 35 9.685 -7.823 -6.527 1.00 0.00 H new ATOM 0 HG3 GLN B 35 10.741 -8.305 -5.214 1.00 0.00 H new ATOM 0 HE21 GLN B 35 10.859 -10.522 -4.579 1.00 0.00 H new ATOM 0 HE22 GLN B 35 10.295 -11.803 -5.657 1.00 0.00 H new ATOM 536 N LEU B 36 6.319 -6.361 -3.723 1.00 0.00 N ATOM 537 CA LEU B 36 5.208 -6.324 -2.798 1.00 0.00 C ATOM 538 C LEU B 36 4.276 -7.463 -3.136 1.00 0.00 C ATOM 539 O LEU B 36 3.689 -7.512 -4.218 1.00 0.00 O ATOM 540 CB LEU B 36 4.472 -4.985 -2.863 1.00 0.00 C ATOM 541 CG LEU B 36 3.569 -4.644 -1.664 1.00 0.00 C ATOM 542 CD1 LEU B 36 2.284 -5.462 -1.683 1.00 0.00 C ATOM 543 CD2 LEU B 36 4.313 -4.862 -0.356 1.00 0.00 C ATOM 0 H LEU B 36 6.050 -6.328 -4.706 1.00 0.00 H new ATOM 0 HA LEU B 36 5.579 -6.432 -1.779 1.00 0.00 H new ATOM 0 HB2 LEU B 36 5.213 -4.192 -2.970 1.00 0.00 H new ATOM 0 HB3 LEU B 36 3.861 -4.974 -3.766 1.00 0.00 H new ATOM 0 HG LEU B 36 3.298 -3.591 -1.744 1.00 0.00 H new ATOM 0 HD11 LEU B 36 1.670 -5.196 -0.822 1.00 0.00 H new ATOM 0 HD12 LEU B 36 1.733 -5.253 -2.600 1.00 0.00 H new ATOM 0 HD13 LEU B 36 2.528 -6.524 -1.640 1.00 0.00 H new ATOM 0 HD21 LEU B 36 3.659 -4.616 0.480 1.00 0.00 H new ATOM 0 HD22 LEU B 36 4.620 -5.905 -0.282 1.00 0.00 H new ATOM 0 HD23 LEU B 36 5.195 -4.221 -0.328 1.00 0.00 H new ATOM 555 N LYS B 37 4.173 -8.389 -2.218 1.00 0.00 N ATOM 556 CA LYS B 37 3.381 -9.580 -2.423 1.00 0.00 C ATOM 557 C LYS B 37 2.169 -9.511 -1.513 1.00 0.00 C ATOM 558 O LYS B 37 2.290 -9.115 -0.355 1.00 0.00 O ATOM 559 CB LYS B 37 4.218 -10.819 -2.109 1.00 0.00 C ATOM 560 CG LYS B 37 5.708 -10.651 -2.413 1.00 0.00 C ATOM 561 CD LYS B 37 6.008 -10.658 -3.903 1.00 0.00 C ATOM 562 CE LYS B 37 5.703 -12.006 -4.544 1.00 0.00 C ATOM 563 NZ LYS B 37 6.513 -13.106 -3.954 1.00 0.00 N1+ ATOM 0 H LYS B 37 4.633 -8.342 -1.309 1.00 0.00 H new ATOM 0 HA LYS B 37 3.055 -9.644 -3.461 1.00 0.00 H new ATOM 0 HB2 LYS B 37 4.098 -11.070 -1.055 1.00 0.00 H new ATOM 0 HB3 LYS B 37 3.832 -11.662 -2.683 1.00 0.00 H new ATOM 0 HG2 LYS B 37 6.059 -9.714 -1.980 1.00 0.00 H new ATOM 0 HG3 LYS B 37 6.266 -11.454 -1.931 1.00 0.00 H new ATOM 0 HD2 LYS B 37 5.420 -9.883 -4.394 1.00 0.00 H new ATOM 0 HD3 LYS B 37 7.058 -10.411 -4.062 1.00 0.00 H new ATOM 0 HE2 LYS B 37 4.644 -12.232 -4.423 1.00 0.00 H new ATOM 0 HE3 LYS B 37 5.897 -11.949 -5.615 1.00 0.00 H new ATOM 0 HZ1 LYS B 37 6.454 -13.946 -4.564 1.00 0.00 H new ATOM 0 HZ2 LYS B 37 7.505 -12.803 -3.876 1.00 0.00 H new ATOM 0 HZ3 LYS B 37 6.147 -13.338 -3.009 1.00 0.00 H new ATOM 577 N ALA B 38 1.011 -9.884 -2.022 1.00 0.00 N ATOM 578 CA ALA B 38 -0.227 -9.699 -1.279 1.00 0.00 C ATOM 579 C ALA B 38 -1.360 -10.557 -1.821 1.00 0.00 C ATOM 580 O ALA B 38 -1.375 -10.929 -2.994 1.00 0.00 O ATOM 581 CB ALA B 38 -0.636 -8.233 -1.305 1.00 0.00 C ATOM 0 H ALA B 38 0.898 -10.314 -2.940 1.00 0.00 H new ATOM 0 HA ALA B 38 -0.038 -10.015 -0.253 1.00 0.00 H new ATOM 0 HB1 ALA B 38 -1.563 -8.104 -0.747 1.00 0.00 H new ATOM 0 HB2 ALA B 38 0.149 -7.628 -0.850 1.00 0.00 H new ATOM 0 HB3 ALA B 38 -0.787 -7.916 -2.337 1.00 0.00 H new ATOM 587 N THR B 39 -2.307 -10.864 -0.947 1.00 0.00 N ATOM 588 CA THR B 39 -3.524 -11.557 -1.326 1.00 0.00 C ATOM 589 C THR B 39 -4.729 -10.795 -0.787 1.00 0.00 C ATOM 590 O THR B 39 -4.648 -10.191 0.281 1.00 0.00 O ATOM 591 CB THR B 39 -3.528 -12.993 -0.782 1.00 0.00 C ATOM 592 OG1 THR B 39 -2.855 -13.027 0.484 1.00 0.00 O ATOM 593 CG2 THR B 39 -2.855 -13.953 -1.752 1.00 0.00 C ATOM 0 H THR B 39 -2.251 -10.638 0.046 1.00 0.00 H new ATOM 0 HA THR B 39 -3.575 -11.605 -2.414 1.00 0.00 H new ATOM 0 HB THR B 39 -4.563 -13.311 -0.659 1.00 0.00 H new ATOM 0 HG1 THR B 39 -2.859 -13.943 0.832 1.00 0.00 H new ATOM 0 HG21 THR B 39 -2.874 -14.961 -1.338 1.00 0.00 H new ATOM 0 HG22 THR B 39 -3.387 -13.941 -2.703 1.00 0.00 H new ATOM 0 HG23 THR B 39 -1.821 -13.645 -1.910 1.00 0.00 H new ATOM 601 N SER B 40 -5.832 -10.807 -1.515 1.00 0.00 N ATOM 602 CA SER B 40 -6.990 -10.023 -1.120 1.00 0.00 C ATOM 603 C SER B 40 -8.288 -10.814 -1.250 1.00 0.00 C ATOM 604 O SER B 40 -8.379 -11.763 -2.036 1.00 0.00 O ATOM 605 CB SER B 40 -7.055 -8.735 -1.944 1.00 0.00 C ATOM 606 OG SER B 40 -6.992 -9.002 -3.337 1.00 0.00 O ATOM 0 H SER B 40 -5.951 -11.345 -2.374 1.00 0.00 H new ATOM 0 HA SER B 40 -6.877 -9.768 -0.066 1.00 0.00 H new ATOM 0 HB2 SER B 40 -7.979 -8.203 -1.716 1.00 0.00 H new ATOM 0 HB3 SER B 40 -6.231 -8.079 -1.661 1.00 0.00 H new ATOM 0 HG SER B 40 -7.230 -8.193 -3.836 1.00 0.00 H new ATOM 612 N SER B 41 -9.287 -10.419 -0.468 1.00 0.00 N ATOM 613 CA SER B 41 -10.572 -11.092 -0.459 1.00 0.00 C ATOM 614 C SER B 41 -11.686 -10.142 -0.049 1.00 0.00 C ATOM 615 O SER B 41 -11.453 -9.124 0.611 1.00 0.00 O ATOM 616 CB SER B 41 -10.528 -12.296 0.476 1.00 0.00 C ATOM 617 OG SER B 41 -11.730 -13.041 0.412 1.00 0.00 O ATOM 0 H SER B 41 -9.225 -9.627 0.172 1.00 0.00 H new ATOM 0 HA SER B 41 -10.782 -11.438 -1.471 1.00 0.00 H new ATOM 0 HB2 SER B 41 -9.687 -12.936 0.209 1.00 0.00 H new ATOM 0 HB3 SER B 41 -10.361 -11.959 1.499 1.00 0.00 H new ATOM 0 HG SER B 41 -11.673 -13.807 1.020 1.00 0.00 H new ATOM 623 N ASN B 42 -12.903 -10.513 -0.411 1.00 0.00 N ATOM 624 CA ASN B 42 -14.069 -9.670 -0.212 1.00 0.00 C ATOM 625 C ASN B 42 -14.630 -9.876 1.183 1.00 0.00 C ATOM 626 O ASN B 42 -15.813 -10.152 1.363 1.00 0.00 O ATOM 627 CB ASN B 42 -15.145 -9.956 -1.266 1.00 0.00 C ATOM 628 CG ASN B 42 -14.722 -9.543 -2.663 1.00 0.00 C ATOM 629 OD1 ASN B 42 -14.919 -8.397 -3.072 1.00 0.00 O ATOM 630 ND2 ASN B 42 -14.150 -10.474 -3.411 1.00 0.00 N ATOM 0 H ASN B 42 -13.110 -11.409 -0.852 1.00 0.00 H new ATOM 0 HA ASN B 42 -13.760 -8.631 -0.321 1.00 0.00 H new ATOM 0 HB2 ASN B 42 -15.378 -11.021 -1.261 1.00 0.00 H new ATOM 0 HB3 ASN B 42 -16.060 -9.428 -0.997 1.00 0.00 H new ATOM 0 HD21 ASN B 42 -13.855 -10.254 -4.362 1.00 0.00 H new ATOM 0 HD22 ASN B 42 -14.004 -11.411 -3.036 1.00 0.00 H new ATOM 637 N ALA B 43 -13.752 -9.736 2.160 1.00 0.00 N ATOM 638 CA ALA B 43 -14.101 -9.888 3.577 1.00 0.00 C ATOM 639 C ALA B 43 -14.980 -8.745 4.100 1.00 0.00 C ATOM 640 O ALA B 43 -14.996 -8.464 5.298 1.00 0.00 O ATOM 641 CB ALA B 43 -12.838 -9.981 4.407 1.00 0.00 C ATOM 0 H ALA B 43 -12.770 -9.513 2.001 1.00 0.00 H new ATOM 0 HA ALA B 43 -14.682 -10.806 3.666 1.00 0.00 H new ATOM 0 HB1 ALA B 43 -13.101 -10.094 5.459 1.00 0.00 H new ATOM 0 HB2 ALA B 43 -12.254 -10.843 4.085 1.00 0.00 H new ATOM 0 HB3 ALA B 43 -12.249 -9.073 4.276 1.00 0.00 H new ATOM 647 N GLY B 44 -15.685 -8.076 3.206 1.00 0.00 N ATOM 648 CA GLY B 44 -16.537 -6.979 3.605 1.00 0.00 C ATOM 649 C GLY B 44 -16.094 -5.674 2.991 1.00 0.00 C ATOM 650 O GLY B 44 -16.838 -4.693 2.998 1.00 0.00 O ATOM 0 H GLY B 44 -15.683 -8.274 2.205 1.00 0.00 H new ATOM 0 HA2 GLY B 44 -17.564 -7.190 3.308 1.00 0.00 H new ATOM 0 HA3 GLY B 44 -16.531 -6.890 4.691 1.00 0.00 H new ATOM 654 N TYR B 45 -14.881 -5.694 2.438 1.00 0.00 N ATOM 655 CA TYR B 45 -14.247 -4.547 1.804 1.00 0.00 C ATOM 656 C TYR B 45 -14.380 -3.255 2.623 1.00 0.00 C ATOM 657 O TYR B 45 -14.505 -3.303 3.841 1.00 0.00 O ATOM 658 CB TYR B 45 -14.740 -4.386 0.365 1.00 0.00 C ATOM 659 CG TYR B 45 -16.218 -4.049 0.187 1.00 0.00 C ATOM 660 CD1 TYR B 45 -16.683 -2.745 0.313 1.00 0.00 C ATOM 661 CD2 TYR B 45 -17.144 -5.042 -0.118 1.00 0.00 C ATOM 662 CE1 TYR B 45 -18.017 -2.438 0.145 1.00 0.00 C ATOM 663 CE2 TYR B 45 -18.485 -4.742 -0.287 1.00 0.00 C ATOM 664 CZ TYR B 45 -18.915 -3.438 -0.153 1.00 0.00 C ATOM 665 OH TYR B 45 -20.247 -3.130 -0.319 1.00 0.00 O ATOM 0 H TYR B 45 -14.300 -6.532 2.420 1.00 0.00 H new ATOM 0 HA TYR B 45 -13.176 -4.748 1.768 1.00 0.00 H new ATOM 0 HB2 TYR B 45 -14.151 -3.603 -0.112 1.00 0.00 H new ATOM 0 HB3 TYR B 45 -14.534 -5.312 -0.172 1.00 0.00 H new ATOM 0 HD1 TYR B 45 -15.985 -1.955 0.548 1.00 0.00 H new ATOM 0 HD2 TYR B 45 -16.811 -6.064 -0.225 1.00 0.00 H new ATOM 0 HE1 TYR B 45 -18.356 -1.418 0.247 1.00 0.00 H new ATOM 0 HE2 TYR B 45 -19.191 -5.525 -0.523 1.00 0.00 H new ATOM 0 HH TYR B 45 -20.748 -3.946 -0.526 1.00 0.00 H new ATOM 675 N GLY B 46 -14.273 -2.104 1.968 1.00 0.00 N ATOM 676 CA GLY B 46 -14.388 -0.842 2.666 1.00 0.00 C ATOM 677 C GLY B 46 -15.816 -0.530 3.096 1.00 0.00 C ATOM 678 O GLY B 46 -16.578 0.077 2.348 1.00 0.00 O ATOM 0 H GLY B 46 -14.108 -2.025 0.964 1.00 0.00 H new ATOM 0 HA2 GLY B 46 -13.745 -0.859 3.546 1.00 0.00 H new ATOM 0 HA3 GLY B 46 -14.025 -0.042 2.021 1.00 0.00 H new ATOM 682 N ILE B 47 -16.182 -0.964 4.298 1.00 0.00 N ATOM 683 CA ILE B 47 -17.522 -0.714 4.826 1.00 0.00 C ATOM 684 C ILE B 47 -17.545 0.572 5.630 1.00 0.00 C ATOM 685 O ILE B 47 -18.124 1.577 5.220 1.00 0.00 O ATOM 686 CB ILE B 47 -18.011 -1.823 5.785 1.00 0.00 C ATOM 687 CG1 ILE B 47 -17.243 -3.128 5.603 1.00 0.00 C ATOM 688 CG2 ILE B 47 -19.497 -2.056 5.588 1.00 0.00 C ATOM 689 CD1 ILE B 47 -15.992 -3.228 6.457 1.00 0.00 C ATOM 0 H ILE B 47 -15.572 -1.489 4.925 1.00 0.00 H new ATOM 0 HA ILE B 47 -18.171 -0.669 3.951 1.00 0.00 H new ATOM 0 HB ILE B 47 -17.824 -1.481 6.803 1.00 0.00 H new ATOM 0 HG12 ILE B 47 -17.902 -3.963 5.842 1.00 0.00 H new ATOM 0 HG13 ILE B 47 -16.965 -3.232 4.554 1.00 0.00 H new ATOM 0 HG21 ILE B 47 -19.836 -2.839 6.267 1.00 0.00 H new ATOM 0 HG22 ILE B 47 -20.041 -1.135 5.797 1.00 0.00 H new ATOM 0 HG23 ILE B 47 -19.684 -2.362 4.559 1.00 0.00 H new ATOM 0 HD11 ILE B 47 -15.501 -4.183 6.272 1.00 0.00 H new ATOM 0 HD12 ILE B 47 -15.312 -2.415 6.203 1.00 0.00 H new ATOM 0 HD13 ILE B 47 -16.264 -3.158 7.510 1.00 0.00 H new ATOM 701 N SER B 48 -16.903 0.500 6.791 1.00 0.00 N ATOM 702 CA SER B 48 -16.834 1.600 7.744 1.00 0.00 C ATOM 703 C SER B 48 -16.395 2.897 7.085 1.00 0.00 C ATOM 704 O SER B 48 -17.069 3.924 7.171 1.00 0.00 O ATOM 705 CB SER B 48 -15.846 1.229 8.833 1.00 0.00 C ATOM 706 OG SER B 48 -16.197 -0.010 9.426 1.00 0.00 O ATOM 0 H SER B 48 -16.409 -0.337 7.100 1.00 0.00 H new ATOM 0 HA SER B 48 -17.830 1.763 8.156 1.00 0.00 H new ATOM 0 HB2 SER B 48 -14.842 1.166 8.414 1.00 0.00 H new ATOM 0 HB3 SER B 48 -15.825 2.009 9.594 1.00 0.00 H new ATOM 0 HG SER B 48 -15.548 -0.234 10.125 1.00 0.00 H new ATOM 712 N TYR B 49 -15.250 2.823 6.449 1.00 0.00 N ATOM 713 CA TYR B 49 -14.667 3.944 5.732 1.00 0.00 C ATOM 714 C TYR B 49 -15.600 4.373 4.610 1.00 0.00 C ATOM 715 O TYR B 49 -15.774 3.654 3.626 1.00 0.00 O ATOM 716 CB TYR B 49 -13.317 3.521 5.158 1.00 0.00 C ATOM 717 CG TYR B 49 -12.506 2.673 6.108 1.00 0.00 C ATOM 718 CD1 TYR B 49 -12.717 1.303 6.184 1.00 0.00 C ATOM 719 CD2 TYR B 49 -11.543 3.235 6.933 1.00 0.00 C ATOM 720 CE1 TYR B 49 -11.994 0.518 7.052 1.00 0.00 C ATOM 721 CE2 TYR B 49 -10.810 2.453 7.806 1.00 0.00 C ATOM 722 CZ TYR B 49 -11.041 1.094 7.861 1.00 0.00 C ATOM 723 OH TYR B 49 -10.313 0.307 8.722 1.00 0.00 O ATOM 0 H TYR B 49 -14.686 1.974 6.411 1.00 0.00 H new ATOM 0 HA TYR B 49 -14.524 4.784 6.412 1.00 0.00 H new ATOM 0 HB2 TYR B 49 -13.480 2.966 4.234 1.00 0.00 H new ATOM 0 HB3 TYR B 49 -12.745 4.412 4.898 1.00 0.00 H new ATOM 0 HD1 TYR B 49 -13.462 0.845 5.550 1.00 0.00 H new ATOM 0 HD2 TYR B 49 -11.363 4.299 6.893 1.00 0.00 H new ATOM 0 HE1 TYR B 49 -12.173 -0.546 7.098 1.00 0.00 H new ATOM 0 HE2 TYR B 49 -10.061 2.903 8.441 1.00 0.00 H new ATOM 0 HH TYR B 49 -9.682 0.866 9.221 1.00 0.00 H new ATOM 733 N GLU B 50 -16.207 5.542 4.783 1.00 0.00 N ATOM 734 CA GLU B 50 -17.177 6.066 3.831 1.00 0.00 C ATOM 735 C GLU B 50 -16.532 6.271 2.471 1.00 0.00 C ATOM 736 O GLU B 50 -16.901 5.618 1.497 1.00 0.00 O ATOM 737 CB GLU B 50 -17.758 7.385 4.341 1.00 0.00 C ATOM 738 CG GLU B 50 -18.407 7.268 5.708 1.00 0.00 C ATOM 739 CD GLU B 50 -18.947 8.587 6.212 1.00 0.00 C ATOM 740 OE1 GLU B 50 -20.120 8.904 5.928 1.00 0.00 O ATOM 741 OE2 GLU B 50 -18.203 9.314 6.903 1.00 0.00 O1- ATOM 0 H GLU B 50 -16.041 6.151 5.585 1.00 0.00 H new ATOM 0 HA GLU B 50 -17.984 5.341 3.727 1.00 0.00 H new ATOM 0 HB2 GLU B 50 -16.964 8.130 4.386 1.00 0.00 H new ATOM 0 HB3 GLU B 50 -18.496 7.749 3.626 1.00 0.00 H new ATOM 0 HG2 GLU B 50 -19.219 6.542 5.659 1.00 0.00 H new ATOM 0 HG3 GLU B 50 -17.677 6.883 6.420 1.00 0.00 H new ATOM 748 N ASP B 51 -15.568 7.181 2.412 1.00 0.00 N ATOM 749 CA ASP B 51 -14.807 7.409 1.196 1.00 0.00 C ATOM 750 C ASP B 51 -13.662 8.376 1.451 1.00 0.00 C ATOM 751 O ASP B 51 -13.881 9.549 1.744 1.00 0.00 O ATOM 752 CB ASP B 51 -15.701 7.958 0.091 1.00 0.00 C ATOM 753 CG ASP B 51 -14.954 8.111 -1.213 1.00 0.00 C ATOM 754 OD1 ASP B 51 -14.316 7.131 -1.648 1.00 0.00 O ATOM 755 OD2 ASP B 51 -15.009 9.205 -1.815 1.00 0.00 O1- ATOM 0 H ASP B 51 -15.296 7.774 3.196 1.00 0.00 H new ATOM 0 HA ASP B 51 -14.399 6.450 0.877 1.00 0.00 H new ATOM 0 HB2 ASP B 51 -16.551 7.291 -0.053 1.00 0.00 H new ATOM 0 HB3 ASP B 51 -16.102 8.925 0.395 1.00 0.00 H new ATOM 760 N LYS B 52 -12.444 7.872 1.353 1.00 0.00 N ATOM 761 CA LYS B 52 -11.249 8.685 1.544 1.00 0.00 C ATOM 762 C LYS B 52 -10.214 8.312 0.497 1.00 0.00 C ATOM 763 O LYS B 52 -10.128 7.149 0.107 1.00 0.00 O ATOM 764 CB LYS B 52 -10.671 8.462 2.939 1.00 0.00 C ATOM 765 CG LYS B 52 -11.617 8.848 4.070 1.00 0.00 C ATOM 766 CD LYS B 52 -11.012 8.583 5.443 1.00 0.00 C ATOM 767 CE LYS B 52 -10.871 7.094 5.727 1.00 0.00 C ATOM 768 NZ LYS B 52 -10.328 6.839 7.089 1.00 0.00 N1+ ATOM 0 H LYS B 52 -12.253 6.893 1.140 1.00 0.00 H new ATOM 0 HA LYS B 52 -11.515 9.737 1.440 1.00 0.00 H new ATOM 0 HB2 LYS B 52 -10.402 7.411 3.046 1.00 0.00 H new ATOM 0 HB3 LYS B 52 -9.751 9.038 3.036 1.00 0.00 H new ATOM 0 HG2 LYS B 52 -11.870 9.905 3.985 1.00 0.00 H new ATOM 0 HG3 LYS B 52 -12.547 8.288 3.971 1.00 0.00 H new ATOM 0 HD2 LYS B 52 -10.033 9.058 5.505 1.00 0.00 H new ATOM 0 HD3 LYS B 52 -11.638 9.040 6.209 1.00 0.00 H new ATOM 0 HE2 LYS B 52 -11.843 6.612 5.627 1.00 0.00 H new ATOM 0 HE3 LYS B 52 -10.214 6.643 4.984 1.00 0.00 H new ATOM 0 HZ1 LYS B 52 -10.119 5.826 7.195 1.00 0.00 H new ATOM 0 HZ2 LYS B 52 -9.455 7.388 7.223 1.00 0.00 H new ATOM 0 HZ3 LYS B 52 -11.030 7.125 7.802 1.00 0.00 H new ATOM 782 N ASN B 53 -9.445 9.288 0.040 1.00 0.00 N ATOM 783 CA ASN B 53 -8.445 9.048 -0.995 1.00 0.00 C ATOM 784 C ASN B 53 -7.053 9.427 -0.526 1.00 0.00 C ATOM 785 O ASN B 53 -6.796 10.571 -0.147 1.00 0.00 O ATOM 786 CB ASN B 53 -8.780 9.807 -2.288 1.00 0.00 C ATOM 787 CG ASN B 53 -9.515 11.113 -2.052 1.00 0.00 C ATOM 788 OD1 ASN B 53 -10.745 11.141 -1.985 1.00 0.00 O ATOM 789 ND2 ASN B 53 -8.779 12.204 -1.936 1.00 0.00 N ATOM 0 H ASN B 53 -9.492 10.253 0.367 1.00 0.00 H new ATOM 0 HA ASN B 53 -8.462 7.978 -1.203 1.00 0.00 H new ATOM 0 HB2 ASN B 53 -7.856 10.012 -2.829 1.00 0.00 H new ATOM 0 HB3 ASN B 53 -9.388 9.168 -2.928 1.00 0.00 H new ATOM 0 HD21 ASN B 53 -9.227 13.108 -1.786 1.00 0.00 H new ATOM 0 HD22 ASN B 53 -7.763 12.142 -1.997 1.00 0.00 H new ATOM 796 N TRP B 54 -6.157 8.457 -0.558 1.00 0.00 N ATOM 797 CA TRP B 54 -4.764 8.692 -0.265 1.00 0.00 C ATOM 798 C TRP B 54 -3.904 7.877 -1.226 1.00 0.00 C ATOM 799 O TRP B 54 -4.432 7.094 -2.018 1.00 0.00 O ATOM 800 CB TRP B 54 -4.452 8.381 1.202 1.00 0.00 C ATOM 801 CG TRP B 54 -4.637 6.958 1.618 1.00 0.00 C ATOM 802 CD1 TRP B 54 -5.816 6.318 1.876 1.00 0.00 C ATOM 803 CD2 TRP B 54 -3.597 6.009 1.867 1.00 0.00 C ATOM 804 NE1 TRP B 54 -5.573 5.021 2.259 1.00 0.00 N ATOM 805 CE2 TRP B 54 -4.215 4.808 2.262 1.00 0.00 C ATOM 806 CE3 TRP B 54 -2.199 6.059 1.786 1.00 0.00 C ATOM 807 CZ2 TRP B 54 -3.482 3.666 2.578 1.00 0.00 C ATOM 808 CZ3 TRP B 54 -1.478 4.924 2.100 1.00 0.00 C ATOM 809 CH2 TRP B 54 -2.120 3.742 2.491 1.00 0.00 C ATOM 0 H TRP B 54 -6.379 7.488 -0.788 1.00 0.00 H new ATOM 0 HA TRP B 54 -4.532 9.747 -0.411 1.00 0.00 H new ATOM 0 HB2 TRP B 54 -3.420 8.667 1.403 1.00 0.00 H new ATOM 0 HB3 TRP B 54 -5.085 9.009 1.829 1.00 0.00 H new ATOM 0 HD1 TRP B 54 -6.795 6.766 1.791 1.00 0.00 H new ATOM 0 HE1 TRP B 54 -6.283 4.330 2.501 1.00 0.00 H new ATOM 0 HE3 TRP B 54 -1.696 6.966 1.484 1.00 0.00 H new ATOM 0 HZ2 TRP B 54 -3.973 2.753 2.881 1.00 0.00 H new ATOM 0 HZ3 TRP B 54 -0.400 4.948 2.043 1.00 0.00 H new ATOM 0 HH2 TRP B 54 -1.526 2.872 2.729 1.00 0.00 H new ATOM 820 N GLY B 55 -2.595 8.069 -1.184 1.00 0.00 N ATOM 821 CA GLY B 55 -1.741 7.437 -2.167 1.00 0.00 C ATOM 822 C GLY B 55 -0.480 6.845 -1.575 1.00 0.00 C ATOM 823 O GLY B 55 0.014 7.314 -0.548 1.00 0.00 O ATOM 0 H GLY B 55 -2.112 8.645 -0.494 1.00 0.00 H new ATOM 0 HA2 GLY B 55 -2.301 6.650 -2.672 1.00 0.00 H new ATOM 0 HA3 GLY B 55 -1.468 8.170 -2.926 1.00 0.00 H new ATOM 827 N ILE B 56 0.035 5.805 -2.221 1.00 0.00 N ATOM 828 CA ILE B 56 1.305 5.214 -1.840 1.00 0.00 C ATOM 829 C ILE B 56 2.359 5.507 -2.901 1.00 0.00 C ATOM 830 O ILE B 56 2.050 5.570 -4.098 1.00 0.00 O ATOM 831 CB ILE B 56 1.174 3.696 -1.661 1.00 0.00 C ATOM 832 CG1 ILE B 56 -0.034 3.379 -0.787 1.00 0.00 C ATOM 833 CG2 ILE B 56 2.439 3.128 -1.034 1.00 0.00 C ATOM 834 CD1 ILE B 56 -0.504 1.956 -0.914 1.00 0.00 C ATOM 0 H ILE B 56 -0.415 5.353 -3.017 1.00 0.00 H new ATOM 0 HA ILE B 56 1.608 5.654 -0.890 1.00 0.00 H new ATOM 0 HB ILE B 56 1.034 3.236 -2.639 1.00 0.00 H new ATOM 0 HG12 ILE B 56 0.217 3.580 0.254 1.00 0.00 H new ATOM 0 HG13 ILE B 56 -0.852 4.049 -1.052 1.00 0.00 H new ATOM 0 HG21 ILE B 56 2.333 2.050 -0.913 1.00 0.00 H new ATOM 0 HG22 ILE B 56 3.291 3.338 -1.680 1.00 0.00 H new ATOM 0 HG23 ILE B 56 2.600 3.589 -0.059 1.00 0.00 H new ATOM 0 HD11 ILE B 56 -1.366 1.798 -0.266 1.00 0.00 H new ATOM 0 HD12 ILE B 56 -0.786 1.757 -1.948 1.00 0.00 H new ATOM 0 HD13 ILE B 56 0.299 1.280 -0.621 1.00 0.00 H new ATOM 846 N PHE B 57 3.597 5.684 -2.462 1.00 0.00 N ATOM 847 CA PHE B 57 4.668 6.144 -3.340 1.00 0.00 C ATOM 848 C PHE B 57 5.890 5.234 -3.247 1.00 0.00 C ATOM 849 O PHE B 57 6.187 4.725 -2.176 1.00 0.00 O ATOM 850 CB PHE B 57 4.996 7.598 -2.970 1.00 0.00 C ATOM 851 CG PHE B 57 3.749 8.436 -3.026 1.00 0.00 C ATOM 852 CD1 PHE B 57 3.304 8.926 -4.239 1.00 0.00 C ATOM 853 CD2 PHE B 57 2.978 8.655 -1.898 1.00 0.00 C ATOM 854 CE1 PHE B 57 2.120 9.627 -4.330 1.00 0.00 C ATOM 855 CE2 PHE B 57 1.783 9.344 -1.986 1.00 0.00 C ATOM 856 CZ PHE B 57 1.354 9.830 -3.203 1.00 0.00 C ATOM 0 H PHE B 57 3.887 5.516 -1.499 1.00 0.00 H new ATOM 0 HA PHE B 57 4.345 6.103 -4.380 1.00 0.00 H new ATOM 0 HB2 PHE B 57 5.427 7.639 -1.970 1.00 0.00 H new ATOM 0 HB3 PHE B 57 5.743 7.997 -3.656 1.00 0.00 H new ATOM 0 HD1 PHE B 57 3.892 8.757 -5.129 1.00 0.00 H new ATOM 0 HD2 PHE B 57 3.313 8.284 -0.940 1.00 0.00 H new ATOM 0 HE1 PHE B 57 1.794 10.016 -5.283 1.00 0.00 H new ATOM 0 HE2 PHE B 57 1.185 9.502 -1.101 1.00 0.00 H new ATOM 0 HZ PHE B 57 0.420 10.368 -3.273 1.00 0.00 H new ATOM 866 N VAL B 58 6.588 5.011 -4.373 1.00 0.00 N ATOM 867 CA VAL B 58 7.744 4.134 -4.384 1.00 0.00 C ATOM 868 C VAL B 58 8.928 4.845 -5.018 1.00 0.00 C ATOM 869 O VAL B 58 8.781 5.532 -6.026 1.00 0.00 O ATOM 870 CB VAL B 58 7.460 2.820 -5.142 1.00 0.00 C ATOM 871 CG1 VAL B 58 7.275 3.076 -6.625 1.00 0.00 C ATOM 872 CG2 VAL B 58 8.569 1.810 -4.909 1.00 0.00 C ATOM 0 H VAL B 58 6.364 5.429 -5.276 1.00 0.00 H new ATOM 0 HA VAL B 58 7.975 3.880 -3.349 1.00 0.00 H new ATOM 0 HB VAL B 58 6.531 2.404 -4.751 1.00 0.00 H new ATOM 0 HG11 VAL B 58 7.076 2.133 -7.135 1.00 0.00 H new ATOM 0 HG12 VAL B 58 6.435 3.754 -6.775 1.00 0.00 H new ATOM 0 HG13 VAL B 58 8.181 3.525 -7.032 1.00 0.00 H new ATOM 0 HG21 VAL B 58 8.346 0.893 -5.454 1.00 0.00 H new ATOM 0 HG22 VAL B 58 9.515 2.220 -5.262 1.00 0.00 H new ATOM 0 HG23 VAL B 58 8.644 1.591 -3.844 1.00 0.00 H new ATOM 882 N ASN B 59 10.098 4.685 -4.409 1.00 0.00 N ATOM 883 CA ASN B 59 11.327 5.356 -4.840 1.00 0.00 C ATOM 884 C ASN B 59 11.160 6.869 -4.774 1.00 0.00 C ATOM 885 O ASN B 59 12.017 7.620 -5.240 1.00 0.00 O ATOM 886 CB ASN B 59 11.729 4.964 -6.269 1.00 0.00 C ATOM 887 CG ASN B 59 11.412 3.526 -6.622 1.00 0.00 C ATOM 888 OD1 ASN B 59 12.144 2.601 -6.274 1.00 0.00 O ATOM 889 ND2 ASN B 59 10.324 3.343 -7.349 1.00 0.00 N ATOM 0 H ASN B 59 10.225 4.082 -3.596 1.00 0.00 H new ATOM 0 HA ASN B 59 12.115 5.035 -4.159 1.00 0.00 H new ATOM 0 HB2 ASN B 59 11.219 5.622 -6.973 1.00 0.00 H new ATOM 0 HB3 ASN B 59 12.799 5.131 -6.394 1.00 0.00 H new ATOM 0 HD21 ASN B 59 10.061 2.403 -7.645 1.00 0.00 H new ATOM 0 HD22 ASN B 59 9.747 4.142 -7.614 1.00 0.00 H new ATOM 896 N GLY B 60 10.056 7.314 -4.184 1.00 0.00 N ATOM 897 CA GLY B 60 9.763 8.719 -4.141 1.00 0.00 C ATOM 898 C GLY B 60 8.816 9.143 -5.251 1.00 0.00 C ATOM 899 O GLY B 60 8.586 10.334 -5.472 1.00 0.00 O ATOM 0 H GLY B 60 9.361 6.717 -3.735 1.00 0.00 H new ATOM 0 HA2 GLY B 60 9.322 8.967 -3.175 1.00 0.00 H new ATOM 0 HA3 GLY B 60 10.691 9.284 -4.222 1.00 0.00 H new ATOM 903 N GLU B 61 8.298 8.152 -5.955 1.00 0.00 N ATOM 904 CA GLU B 61 7.347 8.333 -7.034 1.00 0.00 C ATOM 905 C GLU B 61 6.035 7.709 -6.617 1.00 0.00 C ATOM 906 O GLU B 61 5.976 7.130 -5.569 1.00 0.00 O ATOM 907 CB GLU B 61 7.865 7.639 -8.283 1.00 0.00 C ATOM 908 CG GLU B 61 8.740 8.515 -9.157 1.00 0.00 C ATOM 909 CD GLU B 61 9.495 7.717 -10.197 1.00 0.00 C ATOM 910 OE1 GLU B 61 8.897 7.353 -11.233 1.00 0.00 O1- ATOM 911 OE2 GLU B 61 10.696 7.451 -9.983 1.00 0.00 O ATOM 0 H GLU B 61 8.534 7.174 -5.786 1.00 0.00 H new ATOM 0 HA GLU B 61 7.210 9.393 -7.246 1.00 0.00 H new ATOM 0 HB2 GLU B 61 8.432 6.757 -7.987 1.00 0.00 H new ATOM 0 HB3 GLU B 61 7.016 7.290 -8.871 1.00 0.00 H new ATOM 0 HG2 GLU B 61 8.121 9.262 -9.654 1.00 0.00 H new ATOM 0 HG3 GLU B 61 9.450 9.055 -8.531 1.00 0.00 H new ATOM 918 N LYS B 62 4.998 7.801 -7.415 1.00 0.00 N ATOM 919 CA LYS B 62 3.736 7.156 -7.066 1.00 0.00 C ATOM 920 C LYS B 62 3.811 5.665 -7.377 1.00 0.00 C ATOM 921 O LYS B 62 4.819 5.188 -7.898 1.00 0.00 O ATOM 922 CB LYS B 62 2.579 7.828 -7.810 1.00 0.00 C ATOM 923 CG LYS B 62 1.271 7.817 -7.027 1.00 0.00 C ATOM 924 CD LYS B 62 0.222 8.737 -7.639 1.00 0.00 C ATOM 925 CE LYS B 62 0.629 10.205 -7.595 1.00 0.00 C ATOM 926 NZ LYS B 62 -0.236 11.053 -8.457 1.00 0.00 N1+ ATOM 0 H LYS B 62 4.993 8.307 -8.301 1.00 0.00 H new ATOM 0 HA LYS B 62 3.554 7.267 -5.997 1.00 0.00 H new ATOM 0 HB2 LYS B 62 2.851 8.859 -8.035 1.00 0.00 H new ATOM 0 HB3 LYS B 62 2.428 7.323 -8.764 1.00 0.00 H new ATOM 0 HG2 LYS B 62 0.881 6.800 -6.990 1.00 0.00 H new ATOM 0 HG3 LYS B 62 1.463 8.123 -5.999 1.00 0.00 H new ATOM 0 HD2 LYS B 62 0.047 8.444 -8.674 1.00 0.00 H new ATOM 0 HD3 LYS B 62 -0.721 8.610 -7.108 1.00 0.00 H new ATOM 0 HE2 LYS B 62 0.578 10.564 -6.567 1.00 0.00 H new ATOM 0 HE3 LYS B 62 1.666 10.303 -7.916 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 0.077 12.043 -8.396 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 -0.168 10.728 -9.443 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 -1.223 10.982 -8.136 1.00 0.00 H new ATOM 940 N VAL B 63 2.816 4.920 -6.904 1.00 0.00 N ATOM 941 CA VAL B 63 2.559 3.560 -7.382 1.00 0.00 C ATOM 942 C VAL B 63 1.106 3.197 -7.208 1.00 0.00 C ATOM 943 O VAL B 63 0.630 2.228 -7.797 1.00 0.00 O ATOM 944 CB VAL B 63 3.368 2.464 -6.663 1.00 0.00 C ATOM 945 CG1 VAL B 63 4.436 1.901 -7.583 1.00 0.00 C ATOM 946 CG2 VAL B 63 3.958 2.965 -5.353 1.00 0.00 C ATOM 0 H VAL B 63 2.168 5.237 -6.183 1.00 0.00 H new ATOM 0 HA VAL B 63 2.862 3.587 -8.429 1.00 0.00 H new ATOM 0 HB VAL B 63 2.684 1.655 -6.407 1.00 0.00 H new ATOM 0 HG11 VAL B 63 4.998 1.128 -7.058 1.00 0.00 H new ATOM 0 HG12 VAL B 63 3.965 1.471 -8.467 1.00 0.00 H new ATOM 0 HG13 VAL B 63 5.113 2.700 -7.886 1.00 0.00 H new ATOM 0 HG21 VAL B 63 4.521 2.162 -4.877 1.00 0.00 H new ATOM 0 HG22 VAL B 63 4.622 3.806 -5.551 1.00 0.00 H new ATOM 0 HG23 VAL B 63 3.154 3.286 -4.691 1.00 0.00 H new ATOM 956 N TYR B 64 0.387 3.971 -6.414 1.00 0.00 N ATOM 957 CA TYR B 64 -0.921 3.533 -5.979 1.00 0.00 C ATOM 958 C TYR B 64 -1.787 4.704 -5.543 1.00 0.00 C ATOM 959 O TYR B 64 -1.362 5.567 -4.774 1.00 0.00 O ATOM 960 CB TYR B 64 -0.732 2.557 -4.820 1.00 0.00 C ATOM 961 CG TYR B 64 -1.824 1.529 -4.626 1.00 0.00 C ATOM 962 CD1 TYR B 64 -3.052 1.634 -5.264 1.00 0.00 C ATOM 963 CD2 TYR B 64 -1.620 0.452 -3.772 1.00 0.00 C ATOM 964 CE1 TYR B 64 -4.041 0.703 -5.053 1.00 0.00 C ATOM 965 CE2 TYR B 64 -2.604 -0.488 -3.562 1.00 0.00 C ATOM 966 CZ TYR B 64 -3.813 -0.355 -4.202 1.00 0.00 C ATOM 967 OH TYR B 64 -4.801 -1.276 -3.984 1.00 0.00 O ATOM 0 H TYR B 64 0.680 4.884 -6.066 1.00 0.00 H new ATOM 0 HA TYR B 64 -1.433 3.049 -6.811 1.00 0.00 H new ATOM 0 HB2 TYR B 64 0.211 2.031 -4.966 1.00 0.00 H new ATOM 0 HB3 TYR B 64 -0.637 3.133 -3.900 1.00 0.00 H new ATOM 0 HD1 TYR B 64 -3.233 2.460 -5.936 1.00 0.00 H new ATOM 0 HD2 TYR B 64 -0.672 0.350 -3.264 1.00 0.00 H new ATOM 0 HE1 TYR B 64 -4.993 0.801 -5.553 1.00 0.00 H new ATOM 0 HE2 TYR B 64 -2.427 -1.323 -2.900 1.00 0.00 H new ATOM 0 HH TYR B 64 -4.485 -1.950 -3.347 1.00 0.00 H new ATOM 977 N THR B 65 -2.987 4.729 -6.078 1.00 0.00 N ATOM 978 CA THR B 65 -4.005 5.691 -5.703 1.00 0.00 C ATOM 979 C THR B 65 -5.350 4.981 -5.592 1.00 0.00 C ATOM 980 O THR B 65 -5.710 4.190 -6.465 1.00 0.00 O ATOM 981 CB THR B 65 -4.092 6.830 -6.736 1.00 0.00 C ATOM 982 OG1 THR B 65 -2.825 7.495 -6.825 1.00 0.00 O ATOM 983 CG2 THR B 65 -5.169 7.834 -6.357 1.00 0.00 C ATOM 0 H THR B 65 -3.290 4.072 -6.797 1.00 0.00 H new ATOM 0 HA THR B 65 -3.739 6.129 -4.741 1.00 0.00 H new ATOM 0 HB THR B 65 -4.353 6.397 -7.702 1.00 0.00 H new ATOM 0 HG1 THR B 65 -2.881 8.218 -7.484 1.00 0.00 H new ATOM 0 HG21 THR B 65 -5.207 8.626 -7.105 1.00 0.00 H new ATOM 0 HG22 THR B 65 -6.135 7.331 -6.311 1.00 0.00 H new ATOM 0 HG23 THR B 65 -4.938 8.265 -5.383 1.00 0.00 H new ATOM 991 N PHE B 66 -6.080 5.241 -4.516 1.00 0.00 N ATOM 992 CA PHE B 66 -7.311 4.542 -4.248 1.00 0.00 C ATOM 993 C PHE B 66 -8.184 5.320 -3.296 1.00 0.00 C ATOM 994 O PHE B 66 -7.735 6.224 -2.591 1.00 0.00 O ATOM 995 CB PHE B 66 -7.045 3.156 -3.653 1.00 0.00 C ATOM 996 CG PHE B 66 -5.947 3.084 -2.631 1.00 0.00 C ATOM 997 CD1 PHE B 66 -5.641 4.130 -1.776 1.00 0.00 C ATOM 998 CD2 PHE B 66 -5.225 1.929 -2.539 1.00 0.00 C ATOM 999 CE1 PHE B 66 -4.624 4.005 -0.852 1.00 0.00 C ATOM 1000 CE2 PHE B 66 -4.208 1.789 -1.624 1.00 0.00 C ATOM 1001 CZ PHE B 66 -3.904 2.830 -0.776 1.00 0.00 C ATOM 0 H PHE B 66 -5.831 5.938 -3.815 1.00 0.00 H new ATOM 0 HA PHE B 66 -7.825 4.432 -5.203 1.00 0.00 H new ATOM 0 HB2 PHE B 66 -7.966 2.795 -3.195 1.00 0.00 H new ATOM 0 HB3 PHE B 66 -6.804 2.472 -4.467 1.00 0.00 H new ATOM 0 HD1 PHE B 66 -6.203 5.051 -1.833 1.00 0.00 H new ATOM 0 HD2 PHE B 66 -5.458 1.107 -3.200 1.00 0.00 H new ATOM 0 HE1 PHE B 66 -4.392 4.825 -0.189 1.00 0.00 H new ATOM 0 HE2 PHE B 66 -3.650 0.866 -1.571 1.00 0.00 H new ATOM 0 HZ PHE B 66 -3.106 2.728 -0.055 1.00 0.00 H new ATOM 1011 N ASN B 67 -9.433 4.957 -3.319 1.00 0.00 N ATOM 1012 CA ASN B 67 -10.400 5.418 -2.351 1.00 0.00 C ATOM 1013 C ASN B 67 -10.911 4.244 -1.536 1.00 0.00 C ATOM 1014 O ASN B 67 -11.006 3.126 -2.045 1.00 0.00 O ATOM 1015 CB ASN B 67 -11.556 6.139 -3.040 1.00 0.00 C ATOM 1016 CG ASN B 67 -11.314 7.628 -3.132 1.00 0.00 C ATOM 1017 OD1 ASN B 67 -10.707 8.118 -4.086 1.00 0.00 O ATOM 1018 ND2 ASN B 67 -11.810 8.359 -2.146 1.00 0.00 N ATOM 0 H ASN B 67 -9.820 4.323 -4.019 1.00 0.00 H new ATOM 0 HA ASN B 67 -9.915 6.128 -1.682 1.00 0.00 H new ATOM 0 HB2 ASN B 67 -11.694 5.731 -4.041 1.00 0.00 H new ATOM 0 HB3 ASN B 67 -12.479 5.954 -2.490 1.00 0.00 H new ATOM 0 HD21 ASN B 67 -11.697 9.373 -2.156 1.00 0.00 H new ATOM 0 HD22 ASN B 67 -12.305 7.909 -1.377 1.00 0.00 H new ATOM 1025 N GLU B 68 -11.218 4.493 -0.276 1.00 0.00 N ATOM 1026 CA GLU B 68 -11.686 3.450 0.634 1.00 0.00 C ATOM 1027 C GLU B 68 -12.929 2.741 0.088 1.00 0.00 C ATOM 1028 O GLU B 68 -13.017 1.513 0.119 1.00 0.00 O ATOM 1029 CB GLU B 68 -11.980 4.067 1.996 1.00 0.00 C ATOM 1030 CG GLU B 68 -10.760 4.703 2.645 1.00 0.00 C ATOM 1031 CD GLU B 68 -9.743 3.681 3.113 1.00 0.00 C ATOM 1032 OE1 GLU B 68 -9.865 3.209 4.257 1.00 0.00 O1- ATOM 1033 OE2 GLU B 68 -8.810 3.349 2.353 1.00 0.00 O ATOM 0 H GLU B 68 -11.152 5.418 0.149 1.00 0.00 H new ATOM 0 HA GLU B 68 -10.902 2.699 0.732 1.00 0.00 H new ATOM 0 HB2 GLU B 68 -12.759 4.822 1.885 1.00 0.00 H new ATOM 0 HB3 GLU B 68 -12.375 3.297 2.658 1.00 0.00 H new ATOM 0 HG2 GLU B 68 -10.287 5.380 1.933 1.00 0.00 H new ATOM 0 HG3 GLU B 68 -11.079 5.306 3.495 1.00 0.00 H new ATOM 1040 N LYS B 69 -13.869 3.527 -0.427 1.00 0.00 N ATOM 1041 CA LYS B 69 -15.098 3.004 -1.029 1.00 0.00 C ATOM 1042 C LYS B 69 -14.780 2.180 -2.263 1.00 0.00 C ATOM 1043 O LYS B 69 -15.502 1.253 -2.622 1.00 0.00 O ATOM 1044 CB LYS B 69 -15.998 4.158 -1.446 1.00 0.00 C ATOM 1045 CG LYS B 69 -17.425 3.738 -1.769 1.00 0.00 C ATOM 1046 CD LYS B 69 -18.346 4.942 -1.908 1.00 0.00 C ATOM 1047 CE LYS B 69 -17.892 5.875 -3.019 1.00 0.00 C ATOM 1048 NZ LYS B 69 -18.775 7.065 -3.146 1.00 0.00 N1+ ATOM 0 H LYS B 69 -13.804 4.545 -0.440 1.00 0.00 H new ATOM 0 HA LYS B 69 -15.598 2.378 -0.290 1.00 0.00 H new ATOM 0 HB2 LYS B 69 -16.019 4.898 -0.646 1.00 0.00 H new ATOM 0 HB3 LYS B 69 -15.566 4.646 -2.320 1.00 0.00 H new ATOM 0 HG2 LYS B 69 -17.435 3.163 -2.695 1.00 0.00 H new ATOM 0 HG3 LYS B 69 -17.799 3.082 -0.983 1.00 0.00 H new ATOM 0 HD2 LYS B 69 -19.361 4.601 -2.112 1.00 0.00 H new ATOM 0 HD3 LYS B 69 -18.376 5.488 -0.965 1.00 0.00 H new ATOM 0 HE2 LYS B 69 -16.871 6.201 -2.823 1.00 0.00 H new ATOM 0 HE3 LYS B 69 -17.877 5.332 -3.964 1.00 0.00 H new ATOM 0 HZ1 LYS B 69 -18.429 7.674 -3.915 1.00 0.00 H new ATOM 0 HZ2 LYS B 69 -19.745 6.756 -3.359 1.00 0.00 H new ATOM 0 HZ3 LYS B 69 -18.769 7.598 -2.253 1.00 0.00 H new ATOM 1062 N SER B 70 -13.700 2.554 -2.914 1.00 0.00 N ATOM 1063 CA SER B 70 -13.249 1.912 -4.118 1.00 0.00 C ATOM 1064 C SER B 70 -12.471 0.631 -3.774 1.00 0.00 C ATOM 1065 O SER B 70 -12.060 -0.118 -4.661 1.00 0.00 O ATOM 1066 CB SER B 70 -12.402 2.934 -4.857 1.00 0.00 C ATOM 1067 OG SER B 70 -13.140 4.130 -5.066 1.00 0.00 O ATOM 0 H SER B 70 -13.105 3.326 -2.612 1.00 0.00 H new ATOM 0 HA SER B 70 -14.077 1.596 -4.753 1.00 0.00 H new ATOM 0 HB2 SER B 70 -11.500 3.151 -4.284 1.00 0.00 H new ATOM 0 HB3 SER B 70 -12.081 2.525 -5.815 1.00 0.00 H new ATOM 0 HG SER B 70 -12.730 4.645 -5.792 1.00 0.00 H new ATOM 1073 N THR B 71 -12.307 0.407 -2.469 1.00 0.00 N ATOM 1074 CA THR B 71 -11.888 -0.852 -1.880 1.00 0.00 C ATOM 1075 C THR B 71 -10.573 -1.377 -2.442 1.00 0.00 C ATOM 1076 O THR B 71 -10.516 -1.982 -3.520 1.00 0.00 O ATOM 1077 CB THR B 71 -12.997 -1.910 -1.982 1.00 0.00 C ATOM 1078 OG1 THR B 71 -13.150 -2.368 -3.331 1.00 0.00 O ATOM 1079 CG2 THR B 71 -14.317 -1.338 -1.497 1.00 0.00 C ATOM 0 H THR B 71 -12.471 1.132 -1.771 1.00 0.00 H new ATOM 0 HA THR B 71 -11.703 -0.644 -0.826 1.00 0.00 H new ATOM 0 HB THR B 71 -12.710 -2.753 -1.354 1.00 0.00 H new ATOM 0 HG1 THR B 71 -12.348 -2.141 -3.846 1.00 0.00 H new ATOM 0 HG21 THR B 71 -15.094 -2.099 -1.575 1.00 0.00 H new ATOM 0 HG22 THR B 71 -14.218 -1.026 -0.457 1.00 0.00 H new ATOM 0 HG23 THR B 71 -14.588 -0.478 -2.110 1.00 0.00 H new ATOM 1087 N VAL B 72 -9.527 -1.176 -1.655 1.00 0.00 N ATOM 1088 CA VAL B 72 -8.163 -1.481 -2.057 1.00 0.00 C ATOM 1089 C VAL B 72 -7.954 -2.971 -2.327 1.00 0.00 C ATOM 1090 O VAL B 72 -6.995 -3.343 -2.989 1.00 0.00 O ATOM 1091 CB VAL B 72 -7.161 -1.019 -0.979 1.00 0.00 C ATOM 1092 CG1 VAL B 72 -7.470 0.406 -0.544 1.00 0.00 C ATOM 1093 CG2 VAL B 72 -7.176 -1.966 0.212 1.00 0.00 C ATOM 0 H VAL B 72 -9.602 -0.794 -0.712 1.00 0.00 H new ATOM 0 HA VAL B 72 -7.987 -0.939 -2.986 1.00 0.00 H new ATOM 0 HB VAL B 72 -6.159 -1.036 -1.408 1.00 0.00 H new ATOM 0 HG11 VAL B 72 -6.754 0.717 0.217 1.00 0.00 H new ATOM 0 HG12 VAL B 72 -7.399 1.072 -1.404 1.00 0.00 H new ATOM 0 HG13 VAL B 72 -8.479 0.450 -0.133 1.00 0.00 H new ATOM 0 HG21 VAL B 72 -6.462 -1.621 0.960 1.00 0.00 H new ATOM 0 HG22 VAL B 72 -8.175 -1.988 0.647 1.00 0.00 H new ATOM 0 HG23 VAL B 72 -6.901 -2.968 -0.117 1.00 0.00 H new ATOM 1103 N GLY B 73 -8.844 -3.817 -1.817 1.00 0.00 N ATOM 1104 CA GLY B 73 -8.694 -5.251 -2.007 1.00 0.00 C ATOM 1105 C GLY B 73 -8.660 -5.628 -3.474 1.00 0.00 C ATOM 1106 O GLY B 73 -7.759 -6.343 -3.926 1.00 0.00 O ATOM 0 H GLY B 73 -9.664 -3.538 -1.278 1.00 0.00 H new ATOM 0 HA2 GLY B 73 -7.776 -5.587 -1.525 1.00 0.00 H new ATOM 0 HA3 GLY B 73 -9.519 -5.770 -1.518 1.00 0.00 H new ATOM 1110 N ASN B 74 -9.627 -5.124 -4.225 1.00 0.00 N ATOM 1111 CA ASN B 74 -9.696 -5.389 -5.655 1.00 0.00 C ATOM 1112 C ASN B 74 -8.561 -4.679 -6.378 1.00 0.00 C ATOM 1113 O ASN B 74 -7.978 -5.213 -7.326 1.00 0.00 O ATOM 1114 CB ASN B 74 -11.038 -4.928 -6.231 1.00 0.00 C ATOM 1115 CG ASN B 74 -12.214 -5.659 -5.648 1.00 0.00 C ATOM 1116 OD1 ASN B 74 -12.120 -6.822 -5.253 1.00 0.00 O ATOM 1117 ND2 ASN B 74 -13.335 -4.972 -5.593 1.00 0.00 N ATOM 0 H ASN B 74 -10.375 -4.529 -3.869 1.00 0.00 H new ATOM 0 HA ASN B 74 -9.602 -6.465 -5.803 1.00 0.00 H new ATOM 0 HB2 ASN B 74 -11.156 -3.860 -6.050 1.00 0.00 H new ATOM 0 HB3 ASN B 74 -11.030 -5.069 -7.312 1.00 0.00 H new ATOM 0 HD21 ASN B 74 -14.178 -5.401 -5.210 1.00 0.00 H new ATOM 0 HD22 ASN B 74 -13.361 -4.011 -5.933 1.00 0.00 H new ATOM 1124 N ILE B 75 -8.240 -3.477 -5.919 1.00 0.00 N ATOM 1125 CA ILE B 75 -7.222 -2.665 -6.574 1.00 0.00 C ATOM 1126 C ILE B 75 -5.834 -3.271 -6.416 1.00 0.00 C ATOM 1127 O ILE B 75 -5.088 -3.383 -7.384 1.00 0.00 O ATOM 1128 CB ILE B 75 -7.188 -1.235 -6.020 1.00 0.00 C ATOM 1129 CG1 ILE B 75 -8.594 -0.776 -5.657 1.00 0.00 C ATOM 1130 CG2 ILE B 75 -6.568 -0.303 -7.050 1.00 0.00 C ATOM 1131 CD1 ILE B 75 -8.663 0.652 -5.180 1.00 0.00 C ATOM 0 H ILE B 75 -8.667 -3.044 -5.100 1.00 0.00 H new ATOM 0 HA ILE B 75 -7.494 -2.639 -7.629 1.00 0.00 H new ATOM 0 HB ILE B 75 -6.580 -1.214 -5.116 1.00 0.00 H new ATOM 0 HG12 ILE B 75 -9.240 -0.890 -6.528 1.00 0.00 H new ATOM 0 HG13 ILE B 75 -8.990 -1.429 -4.879 1.00 0.00 H new ATOM 0 HG21 ILE B 75 -6.545 0.712 -6.655 1.00 0.00 H new ATOM 0 HG22 ILE B 75 -5.552 -0.630 -7.271 1.00 0.00 H new ATOM 0 HG23 ILE B 75 -7.162 -0.323 -7.963 1.00 0.00 H new ATOM 0 HD11 ILE B 75 -9.696 0.906 -4.941 1.00 0.00 H new ATOM 0 HD12 ILE B 75 -8.045 0.769 -4.290 1.00 0.00 H new ATOM 0 HD13 ILE B 75 -8.299 1.316 -5.964 1.00 0.00 H new ATOM 1143 N SER B 76 -5.509 -3.674 -5.193 1.00 0.00 N ATOM 1144 CA SER B 76 -4.169 -4.170 -4.855 1.00 0.00 C ATOM 1145 C SER B 76 -3.789 -5.348 -5.734 1.00 0.00 C ATOM 1146 O SER B 76 -2.628 -5.509 -6.111 1.00 0.00 O ATOM 1147 CB SER B 76 -4.096 -4.582 -3.381 1.00 0.00 C ATOM 1148 OG SER B 76 -4.435 -3.502 -2.526 1.00 0.00 O ATOM 0 H SER B 76 -6.159 -3.669 -4.407 1.00 0.00 H new ATOM 0 HA SER B 76 -3.463 -3.358 -5.030 1.00 0.00 H new ATOM 0 HB2 SER B 76 -4.773 -5.417 -3.201 1.00 0.00 H new ATOM 0 HB3 SER B 76 -3.090 -4.931 -3.148 1.00 0.00 H new ATOM 0 HG SER B 76 -5.385 -3.556 -2.292 1.00 0.00 H new ATOM 1154 N ASN B 77 -4.784 -6.159 -6.053 1.00 0.00 N ATOM 1155 CA ASN B 77 -4.613 -7.290 -6.951 1.00 0.00 C ATOM 1156 C ASN B 77 -4.019 -6.826 -8.271 1.00 0.00 C ATOM 1157 O ASN B 77 -3.052 -7.392 -8.782 1.00 0.00 O ATOM 1158 CB ASN B 77 -5.970 -7.918 -7.212 1.00 0.00 C ATOM 1159 CG ASN B 77 -5.866 -9.307 -7.812 1.00 0.00 C ATOM 1160 OD1 ASN B 77 -4.903 -10.031 -7.567 1.00 0.00 O ATOM 1161 ND2 ASN B 77 -6.857 -9.687 -8.600 1.00 0.00 N ATOM 0 H ASN B 77 -5.734 -6.052 -5.697 1.00 0.00 H new ATOM 0 HA ASN B 77 -3.940 -8.015 -6.493 1.00 0.00 H new ATOM 0 HB2 ASN B 77 -6.527 -7.971 -6.277 1.00 0.00 H new ATOM 0 HB3 ASN B 77 -6.539 -7.277 -7.886 1.00 0.00 H new ATOM 0 HD21 ASN B 77 -6.841 -10.612 -9.030 1.00 0.00 H new ATOM 0 HD22 ASN B 77 -7.638 -9.056 -8.778 1.00 0.00 H new ATOM 1168 N ASP B 78 -4.626 -5.786 -8.810 1.00 0.00 N ATOM 1169 CA ASP B 78 -4.165 -5.171 -10.056 1.00 0.00 C ATOM 1170 C ASP B 78 -2.848 -4.425 -9.875 1.00 0.00 C ATOM 1171 O ASP B 78 -2.005 -4.439 -10.770 1.00 0.00 O ATOM 1172 CB ASP B 78 -5.217 -4.210 -10.609 1.00 0.00 C ATOM 1173 CG ASP B 78 -6.300 -4.917 -11.391 1.00 0.00 C ATOM 1174 OD1 ASP B 78 -5.999 -5.438 -12.487 1.00 0.00 O ATOM 1175 OD2 ASP B 78 -7.461 -4.937 -10.925 1.00 0.00 O1- ATOM 0 H ASP B 78 -5.449 -5.340 -8.405 1.00 0.00 H new ATOM 0 HA ASP B 78 -4.003 -5.984 -10.764 1.00 0.00 H new ATOM 0 HB2 ASP B 78 -5.670 -3.660 -9.784 1.00 0.00 H new ATOM 0 HB3 ASP B 78 -4.731 -3.476 -11.252 1.00 0.00 H new ATOM 1180 N ILE B 79 -2.679 -3.767 -8.731 1.00 0.00 N ATOM 1181 CA ILE B 79 -1.459 -3.025 -8.426 1.00 0.00 C ATOM 1182 C ILE B 79 -0.233 -3.932 -8.454 1.00 0.00 C ATOM 1183 O ILE B 79 0.889 -3.487 -8.681 1.00 0.00 O ATOM 1184 CB ILE B 79 -1.573 -2.342 -7.071 1.00 0.00 C ATOM 1185 CG1 ILE B 79 -2.762 -1.413 -7.131 1.00 0.00 C ATOM 1186 CG2 ILE B 79 -0.307 -1.563 -6.726 1.00 0.00 C ATOM 1187 CD1 ILE B 79 -2.620 -0.275 -8.127 1.00 0.00 C ATOM 0 H ILE B 79 -3.381 -3.733 -7.992 1.00 0.00 H new ATOM 0 HA ILE B 79 -1.335 -2.265 -9.197 1.00 0.00 H new ATOM 0 HB ILE B 79 -1.703 -3.092 -6.291 1.00 0.00 H new ATOM 0 HG12 ILE B 79 -3.649 -1.994 -7.385 1.00 0.00 H new ATOM 0 HG13 ILE B 79 -2.930 -0.993 -6.139 1.00 0.00 H new ATOM 0 HG21 ILE B 79 -0.426 -1.089 -5.752 1.00 0.00 H new ATOM 0 HG22 ILE B 79 0.543 -2.245 -6.697 1.00 0.00 H new ATOM 0 HG23 ILE B 79 -0.133 -0.798 -7.483 1.00 0.00 H new ATOM 0 HD11 ILE B 79 -3.518 0.342 -8.105 1.00 0.00 H new ATOM 0 HD12 ILE B 79 -1.755 0.333 -7.863 1.00 0.00 H new ATOM 0 HD13 ILE B 79 -2.485 -0.683 -9.129 1.00 0.00 H new ATOM 1199 N ASN B 80 -0.465 -5.216 -8.237 1.00 0.00 N ATOM 1200 CA ASN B 80 0.604 -6.211 -8.300 1.00 0.00 C ATOM 1201 C ASN B 80 1.262 -6.242 -9.684 1.00 0.00 C ATOM 1202 O ASN B 80 2.382 -6.728 -9.827 1.00 0.00 O ATOM 1203 CB ASN B 80 0.074 -7.607 -7.946 1.00 0.00 C ATOM 1204 CG ASN B 80 -0.332 -7.750 -6.486 1.00 0.00 C ATOM 1205 OD1 ASN B 80 -1.258 -8.494 -6.159 1.00 0.00 O ATOM 1206 ND2 ASN B 80 0.364 -7.057 -5.594 1.00 0.00 N ATOM 0 H ASN B 80 -1.384 -5.599 -8.015 1.00 0.00 H new ATOM 0 HA ASN B 80 1.357 -5.921 -7.568 1.00 0.00 H new ATOM 0 HB2 ASN B 80 -0.786 -7.832 -8.578 1.00 0.00 H new ATOM 0 HB3 ASN B 80 0.841 -8.347 -8.176 1.00 0.00 H new ATOM 0 HD21 ASN B 80 0.138 -7.131 -4.602 1.00 0.00 H new ATOM 0 HD22 ASN B 80 1.125 -6.450 -5.900 1.00 0.00 H new ATOM 1213 N LYS B 81 0.581 -5.703 -10.697 1.00 0.00 N ATOM 1214 CA LYS B 81 1.121 -5.695 -12.055 1.00 0.00 C ATOM 1215 C LYS B 81 2.003 -4.463 -12.284 1.00 0.00 C ATOM 1216 O LYS B 81 2.548 -4.263 -13.368 1.00 0.00 O ATOM 1217 CB LYS B 81 -0.011 -5.738 -13.095 1.00 0.00 C ATOM 1218 CG LYS B 81 -0.549 -4.374 -13.498 1.00 0.00 C ATOM 1219 CD LYS B 81 -1.467 -4.471 -14.708 1.00 0.00 C ATOM 1220 CE LYS B 81 -2.727 -5.263 -14.401 1.00 0.00 C ATOM 1221 NZ LYS B 81 -3.553 -4.595 -13.367 1.00 0.00 N1+ ATOM 0 H LYS B 81 -0.338 -5.270 -10.603 1.00 0.00 H new ATOM 0 HA LYS B 81 1.735 -6.588 -12.175 1.00 0.00 H new ATOM 0 HB2 LYS B 81 0.351 -6.250 -13.987 1.00 0.00 H new ATOM 0 HB3 LYS B 81 -0.831 -6.335 -12.696 1.00 0.00 H new ATOM 0 HG2 LYS B 81 -1.093 -3.935 -12.662 1.00 0.00 H new ATOM 0 HG3 LYS B 81 0.282 -3.706 -13.723 1.00 0.00 H new ATOM 0 HD2 LYS B 81 -1.740 -3.469 -15.038 1.00 0.00 H new ATOM 0 HD3 LYS B 81 -0.933 -4.944 -15.532 1.00 0.00 H new ATOM 0 HE2 LYS B 81 -3.312 -5.384 -15.313 1.00 0.00 H new ATOM 0 HE3 LYS B 81 -2.455 -6.262 -14.061 1.00 0.00 H new ATOM 0 HZ1 LYS B 81 -4.458 -5.098 -13.267 1.00 0.00 H new ATOM 0 HZ2 LYS B 81 -3.048 -4.608 -12.458 1.00 0.00 H new ATOM 0 HZ3 LYS B 81 -3.733 -3.610 -13.649 1.00 0.00 H new ATOM 1235 N LEU B 82 2.151 -3.650 -11.246 1.00 0.00 N ATOM 1236 CA LEU B 82 2.924 -2.411 -11.330 1.00 0.00 C ATOM 1237 C LEU B 82 4.411 -2.682 -11.186 1.00 0.00 C ATOM 1238 O LEU B 82 5.230 -1.763 -11.271 1.00 0.00 O ATOM 1239 CB LEU B 82 2.503 -1.441 -10.222 1.00 0.00 C ATOM 1240 CG LEU B 82 1.279 -0.560 -10.495 1.00 0.00 C ATOM 1241 CD1 LEU B 82 1.661 0.619 -11.375 1.00 0.00 C ATOM 1242 CD2 LEU B 82 0.152 -1.350 -11.146 1.00 0.00 C ATOM 0 H LEU B 82 1.743 -3.826 -10.328 1.00 0.00 H new ATOM 0 HA LEU B 82 2.727 -1.973 -12.308 1.00 0.00 H new ATOM 0 HB2 LEU B 82 2.308 -2.021 -9.320 1.00 0.00 H new ATOM 0 HB3 LEU B 82 3.348 -0.788 -10.004 1.00 0.00 H new ATOM 0 HG LEU B 82 0.920 -0.191 -9.534 1.00 0.00 H new ATOM 0 HD11 LEU B 82 0.781 1.235 -11.560 1.00 0.00 H new ATOM 0 HD12 LEU B 82 2.423 1.216 -10.873 1.00 0.00 H new ATOM 0 HD13 LEU B 82 2.053 0.253 -12.324 1.00 0.00 H new ATOM 0 HD21 LEU B 82 -0.698 -0.692 -11.324 1.00 0.00 H new ATOM 0 HD22 LEU B 82 0.497 -1.762 -12.094 1.00 0.00 H new ATOM 0 HD23 LEU B 82 -0.151 -2.163 -10.486 1.00 0.00 H new ATOM 1254 N ASN B 83 4.741 -3.956 -10.979 1.00 0.00 N ATOM 1255 CA ASN B 83 6.081 -4.361 -10.584 1.00 0.00 C ATOM 1256 C ASN B 83 6.526 -3.503 -9.404 1.00 0.00 C ATOM 1257 O ASN B 83 7.475 -2.726 -9.501 1.00 0.00 O ATOM 1258 CB ASN B 83 7.053 -4.240 -11.760 1.00 0.00 C ATOM 1259 CG ASN B 83 8.401 -4.903 -11.506 1.00 0.00 C ATOM 1260 OD1 ASN B 83 8.871 -4.998 -10.371 1.00 0.00 O ATOM 1261 ND2 ASN B 83 9.040 -5.362 -12.569 1.00 0.00 N ATOM 0 H ASN B 83 4.086 -4.731 -11.081 1.00 0.00 H new ATOM 0 HA ASN B 83 6.075 -5.408 -10.281 1.00 0.00 H new ATOM 0 HB2 ASN B 83 6.598 -4.687 -12.644 1.00 0.00 H new ATOM 0 HB3 ASN B 83 7.212 -3.185 -11.982 1.00 0.00 H new ATOM 0 HD21 ASN B 83 9.950 -5.811 -12.463 1.00 0.00 H new ATOM 0 HD22 ASN B 83 8.623 -5.267 -13.495 1.00 0.00 H new ATOM 1268 N ILE B 84 5.793 -3.621 -8.299 1.00 0.00 N ATOM 1269 CA ILE B 84 6.058 -2.826 -7.112 1.00 0.00 C ATOM 1270 C ILE B 84 7.470 -3.063 -6.612 1.00 0.00 C ATOM 1271 O ILE B 84 7.956 -4.192 -6.631 1.00 0.00 O ATOM 1272 CB ILE B 84 5.071 -3.163 -5.993 1.00 0.00 C ATOM 1273 CG1 ILE B 84 3.662 -2.941 -6.494 1.00 0.00 C ATOM 1274 CG2 ILE B 84 5.334 -2.298 -4.765 1.00 0.00 C ATOM 1275 CD1 ILE B 84 2.618 -3.650 -5.666 1.00 0.00 C ATOM 0 H ILE B 84 5.007 -4.265 -8.205 1.00 0.00 H new ATOM 0 HA ILE B 84 5.941 -1.778 -7.389 1.00 0.00 H new ATOM 0 HB ILE B 84 5.199 -4.207 -5.705 1.00 0.00 H new ATOM 0 HG12 ILE B 84 3.449 -1.872 -6.498 1.00 0.00 H new ATOM 0 HG13 ILE B 84 3.592 -3.284 -7.526 1.00 0.00 H new ATOM 0 HG21 ILE B 84 4.621 -2.553 -3.981 1.00 0.00 H new ATOM 0 HG22 ILE B 84 6.348 -2.475 -4.406 1.00 0.00 H new ATOM 0 HG23 ILE B 84 5.221 -1.247 -5.030 1.00 0.00 H new ATOM 0 HD11 ILE B 84 1.629 -3.450 -6.078 1.00 0.00 H new ATOM 0 HD12 ILE B 84 2.808 -4.723 -5.683 1.00 0.00 H new ATOM 0 HD13 ILE B 84 2.662 -3.290 -4.638 1.00 0.00 H new ATOM 1287 N LYS B 85 8.112 -2.002 -6.165 1.00 0.00 N ATOM 1288 CA LYS B 85 9.507 -2.076 -5.746 1.00 0.00 C ATOM 1289 C LYS B 85 9.708 -1.510 -4.344 1.00 0.00 C ATOM 1290 O LYS B 85 8.753 -1.103 -3.684 1.00 0.00 O ATOM 1291 CB LYS B 85 10.391 -1.331 -6.744 1.00 0.00 C ATOM 1292 CG LYS B 85 10.179 -1.792 -8.171 1.00 0.00 C ATOM 1293 CD LYS B 85 11.306 -1.355 -9.091 1.00 0.00 C ATOM 1294 CE LYS B 85 11.363 0.155 -9.246 1.00 0.00 C ATOM 1295 NZ LYS B 85 12.391 0.566 -10.236 1.00 0.00 N1+ ATOM 0 H LYS B 85 7.694 -1.075 -6.081 1.00 0.00 H new ATOM 0 HA LYS B 85 9.791 -3.128 -5.721 1.00 0.00 H new ATOM 0 HB2 LYS B 85 10.186 -0.263 -6.678 1.00 0.00 H new ATOM 0 HB3 LYS B 85 11.437 -1.472 -6.473 1.00 0.00 H new ATOM 0 HG2 LYS B 85 10.097 -2.879 -8.191 1.00 0.00 H new ATOM 0 HG3 LYS B 85 9.235 -1.394 -8.543 1.00 0.00 H new ATOM 0 HD2 LYS B 85 12.256 -1.715 -8.696 1.00 0.00 H new ATOM 0 HD3 LYS B 85 11.173 -1.815 -10.070 1.00 0.00 H new ATOM 0 HE2 LYS B 85 10.387 0.526 -9.559 1.00 0.00 H new ATOM 0 HE3 LYS B 85 11.583 0.612 -8.281 1.00 0.00 H new ATOM 0 HZ1 LYS B 85 12.401 1.603 -10.316 1.00 0.00 H new ATOM 0 HZ2 LYS B 85 13.326 0.233 -9.924 1.00 0.00 H new ATOM 0 HZ3 LYS B 85 12.167 0.150 -11.162 1.00 0.00 H new ATOM 1309 N GLY B 86 10.964 -1.478 -3.911 1.00 0.00 N ATOM 1310 CA GLY B 86 11.290 -1.021 -2.577 1.00 0.00 C ATOM 1311 C GLY B 86 12.504 -0.113 -2.572 1.00 0.00 C ATOM 1312 O GLY B 86 13.599 -0.537 -2.933 1.00 0.00 O ATOM 0 H GLY B 86 11.768 -1.764 -4.469 1.00 0.00 H new ATOM 0 HA2 GLY B 86 10.437 -0.489 -2.157 1.00 0.00 H new ATOM 0 HA3 GLY B 86 11.477 -1.881 -1.934 1.00 0.00 H new ATOM 1316 N MET B 87 12.303 1.147 -2.198 1.00 0.00 N ATOM 1317 CA MET B 87 13.371 2.096 -2.084 1.00 0.00 C ATOM 1318 C MET B 87 12.955 3.231 -1.145 1.00 0.00 C ATOM 1319 O MET B 87 13.393 3.288 0.001 1.00 0.00 O ATOM 1320 CB MET B 87 13.735 2.642 -3.455 1.00 0.00 C ATOM 1321 CG MET B 87 14.584 3.871 -3.353 1.00 0.00 C ATOM 1322 SD MET B 87 15.148 4.492 -4.949 1.00 0.00 S ATOM 1323 CE MET B 87 16.119 3.103 -5.534 1.00 0.00 C ATOM 0 H MET B 87 11.385 1.526 -1.967 1.00 0.00 H new ATOM 0 HA MET B 87 14.249 1.601 -1.668 1.00 0.00 H new ATOM 0 HB2 MET B 87 14.267 1.878 -4.022 1.00 0.00 H new ATOM 0 HB3 MET B 87 12.825 2.873 -4.008 1.00 0.00 H new ATOM 0 HG2 MET B 87 14.017 4.653 -2.848 1.00 0.00 H new ATOM 0 HG3 MET B 87 15.451 3.653 -2.730 1.00 0.00 H new ATOM 0 HE1 MET B 87 16.832 3.447 -6.283 1.00 0.00 H new ATOM 0 HE2 MET B 87 16.658 2.658 -4.698 1.00 0.00 H new ATOM 0 HE3 MET B 87 15.458 2.358 -5.978 1.00 0.00 H new ATOM 1333 N TYR B 88 12.093 4.129 -1.626 1.00 0.00 N ATOM 1334 CA TYR B 88 11.602 5.215 -0.805 1.00 0.00 C ATOM 1335 C TYR B 88 10.088 5.285 -0.909 1.00 0.00 C ATOM 1336 O TYR B 88 9.535 6.028 -1.717 1.00 0.00 O ATOM 1337 CB TYR B 88 12.230 6.539 -1.237 1.00 0.00 C ATOM 1338 CG TYR B 88 12.006 7.662 -0.251 1.00 0.00 C ATOM 1339 CD1 TYR B 88 10.878 8.465 -0.325 1.00 0.00 C ATOM 1340 CD2 TYR B 88 12.923 7.911 0.759 1.00 0.00 C ATOM 1341 CE1 TYR B 88 10.672 9.486 0.578 1.00 0.00 C ATOM 1342 CE2 TYR B 88 12.723 8.929 1.665 1.00 0.00 C ATOM 1343 CZ TYR B 88 11.594 9.715 1.572 1.00 0.00 C ATOM 1344 OH TYR B 88 11.389 10.732 2.474 1.00 0.00 O ATOM 0 H TYR B 88 11.727 4.118 -2.578 1.00 0.00 H new ATOM 0 HA TYR B 88 11.880 5.032 0.233 1.00 0.00 H new ATOM 0 HB2 TYR B 88 13.302 6.396 -1.375 1.00 0.00 H new ATOM 0 HB3 TYR B 88 11.820 6.828 -2.204 1.00 0.00 H new ATOM 0 HD1 TYR B 88 10.149 8.288 -1.102 1.00 0.00 H new ATOM 0 HD2 TYR B 88 13.808 7.297 0.836 1.00 0.00 H new ATOM 0 HE1 TYR B 88 9.789 10.104 0.505 1.00 0.00 H new ATOM 0 HE2 TYR B 88 13.448 9.111 2.445 1.00 0.00 H new ATOM 0 HH TYR B 88 12.133 10.759 3.112 1.00 0.00 H new ATOM 1354 N ILE B 89 9.429 4.455 -0.130 1.00 0.00 N ATOM 1355 CA ILE B 89 7.982 4.438 -0.082 1.00 0.00 C ATOM 1356 C ILE B 89 7.470 5.440 0.945 1.00 0.00 C ATOM 1357 O ILE B 89 8.024 5.557 2.039 1.00 0.00 O ATOM 1358 CB ILE B 89 7.436 3.016 0.240 1.00 0.00 C ATOM 1359 CG1 ILE B 89 7.623 2.078 -0.958 1.00 0.00 C ATOM 1360 CG2 ILE B 89 5.965 3.062 0.631 1.00 0.00 C ATOM 1361 CD1 ILE B 89 9.058 1.719 -1.257 1.00 0.00 C ATOM 0 H ILE B 89 9.878 3.776 0.485 1.00 0.00 H new ATOM 0 HA ILE B 89 7.618 4.722 -1.069 1.00 0.00 H new ATOM 0 HB ILE B 89 8.006 2.632 1.086 1.00 0.00 H new ATOM 0 HG12 ILE B 89 7.063 1.161 -0.775 1.00 0.00 H new ATOM 0 HG13 ILE B 89 7.188 2.546 -1.841 1.00 0.00 H new ATOM 0 HG21 ILE B 89 5.615 2.053 0.849 1.00 0.00 H new ATOM 0 HG22 ILE B 89 5.843 3.688 1.515 1.00 0.00 H new ATOM 0 HG23 ILE B 89 5.383 3.478 -0.191 1.00 0.00 H new ATOM 0 HD11 ILE B 89 9.094 1.053 -2.119 1.00 0.00 H new ATOM 0 HD12 ILE B 89 9.622 2.626 -1.475 1.00 0.00 H new ATOM 0 HD13 ILE B 89 9.495 1.219 -0.393 1.00 0.00 H new ATOM 1373 N GLU B 90 6.434 6.177 0.575 1.00 0.00 N ATOM 1374 CA GLU B 90 5.792 7.100 1.497 1.00 0.00 C ATOM 1375 C GLU B 90 4.322 6.750 1.638 1.00 0.00 C ATOM 1376 O GLU B 90 3.794 5.929 0.885 1.00 0.00 O ATOM 1377 CB GLU B 90 5.919 8.547 1.030 1.00 0.00 C ATOM 1378 CG GLU B 90 7.309 8.916 0.543 1.00 0.00 C ATOM 1379 CD GLU B 90 7.429 10.379 0.176 1.00 0.00 C ATOM 1380 OE1 GLU B 90 7.629 11.211 1.084 1.00 0.00 O ATOM 1381 OE2 GLU B 90 7.334 10.706 -1.022 1.00 0.00 O1- ATOM 0 H GLU B 90 6.020 6.154 -0.357 1.00 0.00 H new ATOM 0 HA GLU B 90 6.296 7.006 2.459 1.00 0.00 H new ATOM 0 HB2 GLU B 90 5.204 8.723 0.226 1.00 0.00 H new ATOM 0 HB3 GLU B 90 5.645 9.209 1.851 1.00 0.00 H new ATOM 0 HG2 GLU B 90 8.036 8.679 1.320 1.00 0.00 H new ATOM 0 HG3 GLU B 90 7.559 8.306 -0.325 1.00 0.00 H new ATOM 1388 N ILE B 91 3.673 7.412 2.577 1.00 0.00 N ATOM 1389 CA ILE B 91 2.287 7.124 2.933 1.00 0.00 C ATOM 1390 C ILE B 91 1.581 8.423 3.304 1.00 0.00 C ATOM 1391 O ILE B 91 1.868 9.011 4.348 1.00 0.00 O ATOM 1392 CB ILE B 91 2.193 6.179 4.157 1.00 0.00 C ATOM 1393 CG1 ILE B 91 2.894 4.842 3.898 1.00 0.00 C ATOM 1394 CG2 ILE B 91 0.742 5.946 4.555 1.00 0.00 C ATOM 1395 CD1 ILE B 91 2.215 3.988 2.850 1.00 0.00 C ATOM 0 H ILE B 91 4.090 8.169 3.119 1.00 0.00 H new ATOM 0 HA ILE B 91 1.823 6.644 2.071 1.00 0.00 H new ATOM 0 HB ILE B 91 2.707 6.671 4.983 1.00 0.00 H new ATOM 0 HG12 ILE B 91 3.920 5.035 3.586 1.00 0.00 H new ATOM 0 HG13 ILE B 91 2.945 4.282 4.832 1.00 0.00 H new ATOM 0 HG21 ILE B 91 0.704 5.279 5.417 1.00 0.00 H new ATOM 0 HG22 ILE B 91 0.278 6.898 4.812 1.00 0.00 H new ATOM 0 HG23 ILE B 91 0.204 5.493 3.722 1.00 0.00 H new ATOM 0 HD11 ILE B 91 2.770 3.058 2.723 1.00 0.00 H new ATOM 0 HD12 ILE B 91 1.197 3.762 3.168 1.00 0.00 H new ATOM 0 HD13 ILE B 91 2.188 4.527 1.903 1.00 0.00 H new ATOM 1407 N LYS B 92 0.662 8.873 2.471 1.00 0.00 N ATOM 1408 CA LYS B 92 -0.013 10.140 2.715 1.00 0.00 C ATOM 1409 C LYS B 92 -1.310 10.253 1.937 1.00 0.00 C ATOM 1410 O LYS B 92 -1.620 9.420 1.089 1.00 0.00 O ATOM 1411 CB LYS B 92 0.907 11.295 2.349 1.00 0.00 C ATOM 1412 CG LYS B 92 1.444 11.210 0.934 1.00 0.00 C ATOM 1413 CD LYS B 92 2.699 12.051 0.775 1.00 0.00 C ATOM 1414 CE LYS B 92 3.173 12.104 -0.668 1.00 0.00 C ATOM 1415 NZ LYS B 92 2.256 12.897 -1.530 1.00 0.00 N1+ ATOM 0 H LYS B 92 0.365 8.387 1.625 1.00 0.00 H new ATOM 0 HA LYS B 92 -0.259 10.182 3.776 1.00 0.00 H new ATOM 0 HB2 LYS B 92 0.366 12.233 2.469 1.00 0.00 H new ATOM 0 HB3 LYS B 92 1.744 11.319 3.047 1.00 0.00 H new ATOM 0 HG2 LYS B 92 1.664 10.172 0.687 1.00 0.00 H new ATOM 0 HG3 LYS B 92 0.683 11.550 0.232 1.00 0.00 H new ATOM 0 HD2 LYS B 92 2.504 13.063 1.129 1.00 0.00 H new ATOM 0 HD3 LYS B 92 3.491 11.641 1.401 1.00 0.00 H new ATOM 0 HE2 LYS B 92 4.172 12.539 -0.705 1.00 0.00 H new ATOM 0 HE3 LYS B 92 3.252 11.090 -1.060 1.00 0.00 H new ATOM 0 HZ1 LYS B 92 1.756 12.260 -2.183 1.00 0.00 H new ATOM 0 HZ2 LYS B 92 1.564 13.396 -0.935 1.00 0.00 H new ATOM 0 HZ3 LYS B 92 2.806 13.590 -2.076 1.00 0.00 H new ATOM 1429 N GLN B 93 -2.040 11.318 2.223 1.00 0.00 N ATOM 1430 CA GLN B 93 -3.355 11.539 1.659 1.00 0.00 C ATOM 1431 C GLN B 93 -3.285 12.618 0.593 1.00 0.00 C ATOM 1432 O GLN B 93 -2.494 13.556 0.690 1.00 0.00 O ATOM 1433 CB GLN B 93 -4.359 11.920 2.762 1.00 0.00 C ATOM 1434 CG GLN B 93 -4.233 13.349 3.292 1.00 0.00 C ATOM 1435 CD GLN B 93 -2.939 13.647 4.014 1.00 0.00 C ATOM 1436 OE1 GLN B 93 -2.463 14.780 4.004 1.00 0.00 O ATOM 1437 NE2 GLN B 93 -2.361 12.647 4.633 1.00 0.00 N ATOM 0 H GLN B 93 -1.733 12.056 2.857 1.00 0.00 H new ATOM 0 HA GLN B 93 -3.702 10.615 1.196 1.00 0.00 H new ATOM 0 HB2 GLN B 93 -5.369 11.780 2.376 1.00 0.00 H new ATOM 0 HB3 GLN B 93 -4.238 11.228 3.596 1.00 0.00 H new ATOM 0 HG2 GLN B 93 -4.334 14.041 2.456 1.00 0.00 H new ATOM 0 HG3 GLN B 93 -5.064 13.544 3.970 1.00 0.00 H new ATOM 0 HE21 GLN B 93 -2.789 11.721 4.617 1.00 0.00 H new ATOM 0 HE22 GLN B 93 -1.483 12.794 5.131 1.00 0.00 H new ATOM 1446 N ILE B 94 -4.100 12.467 -0.426 1.00 0.00 N ATOM 1447 CA ILE B 94 -4.080 13.357 -1.570 1.00 0.00 C ATOM 1448 C ILE B 94 -5.325 14.237 -1.598 1.00 0.00 C ATOM 1449 O ILE B 94 -5.215 15.428 -1.243 1.00 0.00 O ATOM 1450 CB ILE B 94 -3.970 12.546 -2.874 1.00 0.00 C ATOM 1451 CG1 ILE B 94 -4.853 11.301 -2.777 1.00 0.00 C ATOM 1452 CG2 ILE B 94 -2.522 12.157 -3.125 1.00 0.00 C ATOM 1453 CD1 ILE B 94 -4.896 10.469 -4.036 1.00 0.00 C ATOM 1454 OXT ILE B 94 -6.412 13.730 -1.942 1.00 0.00 O ATOM 0 H ILE B 94 -4.796 11.724 -0.487 1.00 0.00 H new ATOM 0 HA ILE B 94 -3.208 14.005 -1.482 1.00 0.00 H new ATOM 0 HB ILE B 94 -4.311 13.156 -3.711 1.00 0.00 H new ATOM 0 HG12 ILE B 94 -4.495 10.679 -1.957 1.00 0.00 H new ATOM 0 HG13 ILE B 94 -5.868 11.609 -2.524 1.00 0.00 H new ATOM 0 HG21 ILE B 94 -2.454 11.584 -4.050 1.00 0.00 H new ATOM 0 HG22 ILE B 94 -1.913 13.057 -3.211 1.00 0.00 H new ATOM 0 HG23 ILE B 94 -2.159 11.551 -2.295 1.00 0.00 H new ATOM 0 HD11 ILE B 94 -5.544 9.607 -3.880 1.00 0.00 H new ATOM 0 HD12 ILE B 94 -5.285 11.071 -4.857 1.00 0.00 H new ATOM 0 HD13 ILE B 94 -3.890 10.127 -4.281 1.00 0.00 H new TER 1466 ILE B 94