USER MOD reduce.3.24.130724 H: found=0, std=0, add=1016, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 1017 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 7 THR OG1 : rot 180:sc= 0.21 USER MOD Set 1.2: B 9 THR OG1 : rot -57:sc= 0.0371 USER MOD Set 2.1: A 19 MET CE :methyl -127:sc= -3.95! (180deg=-5.72!) USER MOD Set 2.2: B 6 LYS NZ :NH3+ -113:sc= 1.02 (180deg=0.00363) USER MOD Set 2.3: B 68 HIS : +bothHN:sc= -1.95! C(o=-4.9!,f=-11!) USER MOD Set 3.1: A 35 ASN :FLIP amide:sc= 1.02 F(o=0.13,f=1.2) USER MOD Set 3.2: A 42 THR OG1 : rot -81:sc= 0.19 USER MOD Set 4.1: A 6 ASN : amide:sc= -0.805! K(o=-1.3!,f=-2.5) USER MOD Set 4.2: A 9 HIS :FLIP no HD1:sc= -0.501 F(o=-2.8,f=-1.3) USER MOD Single : A 11 SER OG : rot -101:sc= 1.09 USER MOD Single : A 12 LYS NZ :NH3+ 169:sc= -0.0113 (180deg=-0.168) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl 160:sc= -0.147 (180deg=-0.81) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 HIS : no HE2:sc= -17.5! C(o=-17!,f=-24!) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 ASN : amide:sc= -0.42 X(o=-0.42,f=-0.64!) USER MOD Single : A 48 LYS NZ :NH3+ -167:sc= -0.0177 (180deg=-0.224) USER MOD Single : A 50 ASN : amide:sc= -0.591 K(o=-0.59,f=-2.4!) USER MOD Single : A 53 LYS NZ :NH3+ -169:sc=-0.00312 (180deg=-0.153) USER MOD Single : A 54 SER OG : rot -13:sc= 0.727 USER MOD Single : B 1 MET CE :methyl 158:sc= -0.719 (180deg=-1.35) USER MOD Single : B 1 MET N :NH3+ -148:sc= 0.881 (180deg=0.668) USER MOD Single : B 2 GLN :FLIP amide:sc= -1.09 F(o=-2!,f=-1.1) USER MOD Single : B 11 LYS NZ :NH3+ 169:sc= -0.0314 (180deg=-0.217) USER MOD Single : B 12 THR OG1 : rot 180:sc= -0.569 USER MOD Single : B 14 THR OG1 : rot 180:sc= 0 USER MOD Single : B 19 SER OG : rot 180:sc= 0 USER MOD Single : B 20 SER OG : rot -40:sc= 1.04 USER MOD Single : B 22 THR OG1 : rot -130:sc= -0.897 USER MOD Single : B 25 ASN :FLIP amide:sc= -1.94! C(o=-3.6!,f=-1.9!) USER MOD Single : B 27 LYS NZ :NH3+ -162:sc= 0.929 (180deg=0.612) USER MOD Single : B 28 SER OG : rot 180:sc= 0 USER MOD Single : B 29 LYS NZ :NH3+ -118:sc= 0.421 (180deg=-1.27) USER MOD Single : B 31 GLN : amide:sc= -1.94! C(o=-1.9!,f=-3.8!) USER MOD Single : B 33 LYS NZ :NH3+ 158:sc= -0.0359 (180deg=-0.718) USER MOD Single : B 40 GLN :FLIP amide:sc= -0.464 F(o=-1.2!,f=-0.46) USER MOD Single : B 41 GLN :FLIP amide:sc= -1.86 F(o=-3.6!,f=-1.9) USER MOD Single : B 48 LYS NZ :NH3+ -179:sc= 0.114 (180deg=0.0883) USER MOD Single : B 49 GLN : amide:sc= 0 K(o=0,f=-2.1!) USER MOD Single : B 55 THR OG1 : rot -21:sc= 1.07 USER MOD Single : B 57 SER OG : rot 180:sc= 0 USER MOD Single : B 59 TYR OH : rot 180:sc= 0.556 USER MOD Single : B 60 ASN : amide:sc= -0.568 X(o=-0.57,f=-0.56) USER MOD Single : B 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 63 LYS NZ :NH3+ -166:sc= -0.0419 (180deg=-0.264) USER MOD Single : B 65 SER OG : rot -152:sc= 0.239 USER MOD Single : B 66 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 6 19.147 7.747 1.402 1.00 0.00 N ATOM 2 CA ASN A 6 18.044 6.810 1.586 1.00 0.00 C ATOM 3 C ASN A 6 18.553 5.368 1.572 1.00 0.00 C ATOM 4 O ASN A 6 19.569 5.057 2.193 1.00 0.00 O ATOM 5 CB ASN A 6 16.990 7.020 0.493 1.00 0.00 C ATOM 6 CG ASN A 6 16.376 8.411 0.517 1.00 0.00 C ATOM 7 OD1 ASN A 6 15.527 8.735 -0.313 1.00 0.00 O ATOM 8 ND2 ASN A 6 16.798 9.242 1.466 1.00 0.00 N ATOM 0 HA ASN A 6 17.585 6.997 2.557 1.00 0.00 H new ATOM 0 HB2 ASN A 6 17.446 6.847 -0.482 1.00 0.00 H new ATOM 0 HB3 ASN A 6 16.200 6.278 0.611 1.00 0.00 H new ATOM 0 HD21 ASN A 6 16.416 10.186 1.524 1.00 0.00 H new ATOM 0 HD22 ASN A 6 17.504 8.935 2.136 1.00 0.00 H new ATOM 15 N ASP A 7 17.847 4.494 0.856 1.00 0.00 N ATOM 16 CA ASP A 7 18.233 3.090 0.761 1.00 0.00 C ATOM 17 C ASP A 7 17.375 2.355 -0.267 1.00 0.00 C ATOM 18 O ASP A 7 17.877 1.530 -1.028 1.00 0.00 O ATOM 19 CB ASP A 7 18.132 2.403 2.128 1.00 0.00 C ATOM 20 CG ASP A 7 16.776 2.580 2.790 1.00 0.00 C ATOM 21 OD1 ASP A 7 15.931 3.316 2.241 1.00 0.00 O ATOM 22 OD2 ASP A 7 16.565 1.989 3.870 1.00 0.00 O ATOM 0 H ASP A 7 17.005 4.735 0.334 1.00 0.00 H new ATOM 0 HA ASP A 7 19.271 3.052 0.431 1.00 0.00 H new ATOM 0 HB2 ASP A 7 18.334 1.339 2.008 1.00 0.00 H new ATOM 0 HB3 ASP A 7 18.905 2.802 2.785 1.00 0.00 H new ATOM 27 N ASP A 8 16.082 2.668 -0.286 1.00 0.00 N ATOM 28 CA ASP A 8 15.153 2.044 -1.224 1.00 0.00 C ATOM 29 C ASP A 8 13.765 2.661 -1.081 1.00 0.00 C ATOM 30 O ASP A 8 12.755 1.959 -1.116 1.00 0.00 O ATOM 31 CB ASP A 8 15.078 0.534 -0.977 1.00 0.00 C ATOM 32 CG ASP A 8 14.533 -0.228 -2.173 1.00 0.00 C ATOM 33 OD1 ASP A 8 13.381 0.035 -2.574 1.00 0.00 O ATOM 34 OD2 ASP A 8 15.262 -1.088 -2.709 1.00 0.00 O ATOM 0 H ASP A 8 15.653 3.351 0.339 1.00 0.00 H new ATOM 0 HA ASP A 8 15.517 2.218 -2.237 1.00 0.00 H new ATOM 0 HB2 ASP A 8 16.073 0.159 -0.735 1.00 0.00 H new ATOM 0 HB3 ASP A 8 14.446 0.342 -0.110 1.00 0.00 H new ATOM 39 N HIS A 9 13.718 3.979 -0.915 1.00 0.00 N ATOM 40 CA HIS A 9 12.448 4.673 -0.765 1.00 0.00 C ATOM 41 C HIS A 9 11.690 4.698 -2.088 1.00 0.00 C ATOM 42 O HIS A 9 10.469 4.825 -2.105 1.00 0.00 O ATOM 43 CB HIS A 9 12.630 6.093 -0.206 1.00 0.00 C ATOM 44 CG HIS A 9 12.936 7.162 -1.218 1.00 0.00 C ATOM 45 ND1 HIS A 9 13.599 7.127 -2.401 1.00 0.00 N flip ATOM 46 CD2 HIS A 9 12.547 8.474 -1.041 1.00 0.00 C flip ATOM 47 CE1 HIS A 9 13.596 8.405 -2.906 1.00 0.00 C flip ATOM 48 NE2 HIS A 9 12.952 9.197 -2.068 1.00 0.00 N flip ATOM 0 H HIS A 9 14.540 4.583 -0.881 1.00 0.00 H new ATOM 0 HA HIS A 9 11.856 4.118 -0.038 1.00 0.00 H new ATOM 0 HB2 HIS A 9 11.721 6.373 0.326 1.00 0.00 H new ATOM 0 HB3 HIS A 9 13.435 6.073 0.528 1.00 0.00 H new ATOM 0 HD2 HIS A 9 11.996 8.851 -0.192 1.00 0.00 H new ATOM 0 HE1 HIS A 9 14.047 8.712 -3.838 1.00 0.00 H new ATOM 0 HE2 HIS A 9 12.795 10.197 -2.193 1.00 0.00 H new ATOM 57 N GLU A 10 12.430 4.589 -3.191 1.00 0.00 N ATOM 58 CA GLU A 10 11.834 4.611 -4.524 1.00 0.00 C ATOM 59 C GLU A 10 10.693 3.604 -4.627 1.00 0.00 C ATOM 60 O GLU A 10 9.633 3.915 -5.169 1.00 0.00 O ATOM 61 CB GLU A 10 12.893 4.306 -5.583 1.00 0.00 C ATOM 62 CG GLU A 10 14.050 5.293 -5.590 1.00 0.00 C ATOM 63 CD GLU A 10 15.092 4.961 -6.640 1.00 0.00 C ATOM 64 OE1 GLU A 10 15.679 3.860 -6.567 1.00 0.00 O ATOM 65 OE2 GLU A 10 15.320 5.800 -7.536 1.00 0.00 O ATOM 0 H GLU A 10 13.445 4.484 -3.186 1.00 0.00 H new ATOM 0 HA GLU A 10 11.431 5.609 -4.698 1.00 0.00 H new ATOM 0 HB2 GLU A 10 13.284 3.302 -5.415 1.00 0.00 H new ATOM 0 HB3 GLU A 10 12.422 4.305 -6.566 1.00 0.00 H new ATOM 0 HG2 GLU A 10 13.665 6.297 -5.770 1.00 0.00 H new ATOM 0 HG3 GLU A 10 14.520 5.303 -4.607 1.00 0.00 H new ATOM 72 N SER A 11 10.905 2.406 -4.092 1.00 0.00 N ATOM 73 CA SER A 11 9.875 1.375 -4.117 1.00 0.00 C ATOM 74 C SER A 11 8.626 1.888 -3.412 1.00 0.00 C ATOM 75 O SER A 11 7.507 1.778 -3.922 1.00 0.00 O ATOM 76 CB SER A 11 10.378 0.102 -3.433 1.00 0.00 C ATOM 77 OG SER A 11 10.674 0.340 -2.067 1.00 0.00 O ATOM 0 H SER A 11 11.775 2.127 -3.639 1.00 0.00 H new ATOM 0 HA SER A 11 9.634 1.138 -5.153 1.00 0.00 H new ATOM 0 HB2 SER A 11 9.624 -0.681 -3.514 1.00 0.00 H new ATOM 0 HB3 SER A 11 11.270 -0.261 -3.944 1.00 0.00 H new ATOM 0 HG SER A 11 11.642 0.449 -1.956 1.00 0.00 H new ATOM 83 N LYS A 12 8.839 2.476 -2.241 1.00 0.00 N ATOM 84 CA LYS A 12 7.753 3.040 -1.460 1.00 0.00 C ATOM 85 C LYS A 12 7.086 4.152 -2.259 1.00 0.00 C ATOM 86 O LYS A 12 5.864 4.306 -2.240 1.00 0.00 O ATOM 87 CB LYS A 12 8.286 3.592 -0.136 1.00 0.00 C ATOM 88 CG LYS A 12 9.275 2.669 0.563 1.00 0.00 C ATOM 89 CD LYS A 12 8.664 1.311 0.873 1.00 0.00 C ATOM 90 CE LYS A 12 9.678 0.383 1.521 1.00 0.00 C ATOM 91 NZ LYS A 12 10.156 0.909 2.829 1.00 0.00 N ATOM 0 H LYS A 12 9.760 2.573 -1.813 1.00 0.00 H new ATOM 0 HA LYS A 12 7.023 2.261 -1.241 1.00 0.00 H new ATOM 0 HB2 LYS A 12 8.768 4.552 -0.321 1.00 0.00 H new ATOM 0 HB3 LYS A 12 7.446 3.781 0.532 1.00 0.00 H new ATOM 0 HG2 LYS A 12 10.154 2.536 -0.067 1.00 0.00 H new ATOM 0 HG3 LYS A 12 9.614 3.134 1.489 1.00 0.00 H new ATOM 0 HD2 LYS A 12 7.808 1.438 1.536 1.00 0.00 H new ATOM 0 HD3 LYS A 12 8.291 0.860 -0.046 1.00 0.00 H new ATOM 0 HE2 LYS A 12 9.229 -0.600 1.667 1.00 0.00 H new ATOM 0 HE3 LYS A 12 10.528 0.249 0.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 10.697 0.171 3.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 10.766 1.736 2.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 9.340 1.188 3.410 1.00 0.00 H new ATOM 105 N LEU A 13 7.910 4.911 -2.977 1.00 0.00 N ATOM 106 CA LEU A 13 7.430 6.001 -3.812 1.00 0.00 C ATOM 107 C LEU A 13 6.478 5.457 -4.865 1.00 0.00 C ATOM 108 O LEU A 13 5.451 6.065 -5.165 1.00 0.00 O ATOM 109 CB LEU A 13 8.610 6.712 -4.481 1.00 0.00 C ATOM 110 CG LEU A 13 8.241 7.856 -5.428 1.00 0.00 C ATOM 111 CD1 LEU A 13 7.503 8.956 -4.680 1.00 0.00 C ATOM 112 CD2 LEU A 13 9.490 8.408 -6.098 1.00 0.00 C ATOM 0 H LEU A 13 8.922 4.787 -2.995 1.00 0.00 H new ATOM 0 HA LEU A 13 6.899 6.721 -3.190 1.00 0.00 H new ATOM 0 HB2 LEU A 13 9.263 7.105 -3.702 1.00 0.00 H new ATOM 0 HB3 LEU A 13 9.187 5.974 -5.039 1.00 0.00 H new ATOM 0 HG LEU A 13 7.577 7.466 -6.199 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.250 9.760 -5.372 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.590 8.550 -4.245 1.00 0.00 H new ATOM 0 HD13 LEU A 13 8.140 9.347 -3.887 1.00 0.00 H new ATOM 0 HD21 LEU A 13 9.214 9.221 -6.769 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.176 8.782 -5.338 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.977 7.617 -6.668 1.00 0.00 H new ATOM 124 N SER A 14 6.824 4.294 -5.409 1.00 0.00 N ATOM 125 CA SER A 14 5.995 3.645 -6.411 1.00 0.00 C ATOM 126 C SER A 14 4.630 3.337 -5.820 1.00 0.00 C ATOM 127 O SER A 14 3.593 3.623 -6.430 1.00 0.00 O ATOM 128 CB SER A 14 6.660 2.360 -6.905 1.00 0.00 C ATOM 129 OG SER A 14 5.870 1.723 -7.894 1.00 0.00 O ATOM 0 H SER A 14 7.674 3.784 -5.170 1.00 0.00 H new ATOM 0 HA SER A 14 5.875 4.317 -7.261 1.00 0.00 H new ATOM 0 HB2 SER A 14 7.644 2.590 -7.314 1.00 0.00 H new ATOM 0 HB3 SER A 14 6.814 1.681 -6.066 1.00 0.00 H new ATOM 0 HG SER A 14 6.318 0.905 -8.194 1.00 0.00 H new ATOM 135 N ILE A 15 4.632 2.770 -4.612 1.00 0.00 N ATOM 136 CA ILE A 15 3.383 2.450 -3.936 1.00 0.00 C ATOM 137 C ILE A 15 2.558 3.714 -3.782 1.00 0.00 C ATOM 138 O ILE A 15 1.346 3.697 -3.948 1.00 0.00 O ATOM 139 CB ILE A 15 3.589 1.845 -2.532 1.00 0.00 C ATOM 140 CG1 ILE A 15 4.762 0.864 -2.502 1.00 0.00 C ATOM 141 CG2 ILE A 15 2.312 1.154 -2.078 1.00 0.00 C ATOM 142 CD1 ILE A 15 4.678 -0.238 -3.536 1.00 0.00 C ATOM 0 H ILE A 15 5.475 2.527 -4.091 1.00 0.00 H new ATOM 0 HA ILE A 15 2.879 1.706 -4.552 1.00 0.00 H new ATOM 0 HB ILE A 15 3.827 2.659 -1.847 1.00 0.00 H new ATOM 0 HG12 ILE A 15 5.688 1.418 -2.653 1.00 0.00 H new ATOM 0 HG13 ILE A 15 4.818 0.413 -1.511 1.00 0.00 H new ATOM 0 HG21 ILE A 15 2.462 0.728 -1.086 1.00 0.00 H new ATOM 0 HG22 ILE A 15 1.499 1.879 -2.043 1.00 0.00 H new ATOM 0 HG23 ILE A 15 2.059 0.359 -2.780 1.00 0.00 H new ATOM 0 HD11 ILE A 15 5.548 -0.889 -3.446 1.00 0.00 H new ATOM 0 HD12 ILE A 15 3.771 -0.820 -3.374 1.00 0.00 H new ATOM 0 HD13 ILE A 15 4.654 0.200 -4.534 1.00 0.00 H new ATOM 154 N LEU A 16 3.242 4.810 -3.458 1.00 0.00 N ATOM 155 CA LEU A 16 2.600 6.107 -3.273 1.00 0.00 C ATOM 156 C LEU A 16 1.913 6.569 -4.553 1.00 0.00 C ATOM 157 O LEU A 16 0.802 7.093 -4.515 1.00 0.00 O ATOM 158 CB LEU A 16 3.635 7.144 -2.835 1.00 0.00 C ATOM 159 CG LEU A 16 4.259 6.894 -1.463 1.00 0.00 C ATOM 160 CD1 LEU A 16 5.424 7.842 -1.227 1.00 0.00 C ATOM 161 CD2 LEU A 16 3.212 7.052 -0.371 1.00 0.00 C ATOM 0 H LEU A 16 4.252 4.823 -3.317 1.00 0.00 H new ATOM 0 HA LEU A 16 1.841 6.002 -2.498 1.00 0.00 H new ATOM 0 HB2 LEU A 16 4.431 7.177 -3.579 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.163 8.126 -2.829 1.00 0.00 H new ATOM 0 HG LEU A 16 4.638 5.872 -1.434 1.00 0.00 H new ATOM 0 HD11 LEU A 16 5.856 7.650 -0.245 1.00 0.00 H new ATOM 0 HD12 LEU A 16 6.182 7.685 -1.994 1.00 0.00 H new ATOM 0 HD13 LEU A 16 5.070 8.872 -1.272 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.670 6.871 0.601 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.807 8.064 -0.399 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.407 6.335 -0.532 1.00 0.00 H new ATOM 173 N MET A 17 2.586 6.377 -5.683 1.00 0.00 N ATOM 174 CA MET A 17 2.038 6.779 -6.972 1.00 0.00 C ATOM 175 C MET A 17 0.727 6.057 -7.251 1.00 0.00 C ATOM 176 O MET A 17 -0.273 6.681 -7.607 1.00 0.00 O ATOM 177 CB MET A 17 3.043 6.491 -8.088 1.00 0.00 C ATOM 178 CG MET A 17 4.344 7.263 -7.948 1.00 0.00 C ATOM 179 SD MET A 17 5.530 6.874 -9.250 1.00 0.00 S ATOM 180 CE MET A 17 4.593 7.323 -10.709 1.00 0.00 C ATOM 0 H MET A 17 3.509 5.947 -5.732 1.00 0.00 H new ATOM 0 HA MET A 17 1.841 7.851 -6.939 1.00 0.00 H new ATOM 0 HB2 MET A 17 3.263 5.424 -8.101 1.00 0.00 H new ATOM 0 HB3 MET A 17 2.587 6.734 -9.048 1.00 0.00 H new ATOM 0 HG2 MET A 17 4.131 8.332 -7.964 1.00 0.00 H new ATOM 0 HG3 MET A 17 4.790 7.042 -6.978 1.00 0.00 H new ATOM 0 HE1 MET A 17 5.275 7.482 -11.544 1.00 0.00 H new ATOM 0 HE2 MET A 17 3.897 6.521 -10.956 1.00 0.00 H new ATOM 0 HE3 MET A 17 4.036 8.240 -10.516 1.00 0.00 H new ATOM 190 N ASP A 18 0.736 4.738 -7.085 1.00 0.00 N ATOM 191 CA ASP A 18 -0.459 3.934 -7.317 1.00 0.00 C ATOM 192 C ASP A 18 -1.472 4.127 -6.187 1.00 0.00 C ATOM 193 O ASP A 18 -2.682 4.066 -6.403 1.00 0.00 O ATOM 194 CB ASP A 18 -0.086 2.456 -7.445 1.00 0.00 C ATOM 195 CG ASP A 18 -1.255 1.592 -7.882 1.00 0.00 C ATOM 196 OD1 ASP A 18 -2.346 2.148 -8.132 1.00 0.00 O ATOM 197 OD2 ASP A 18 -1.077 0.361 -7.981 1.00 0.00 O ATOM 0 H ASP A 18 1.555 4.205 -6.792 1.00 0.00 H new ATOM 0 HA ASP A 18 -0.918 4.265 -8.249 1.00 0.00 H new ATOM 0 HB2 ASP A 18 0.726 2.352 -8.164 1.00 0.00 H new ATOM 0 HB3 ASP A 18 0.288 2.096 -6.487 1.00 0.00 H new ATOM 202 N MET A 19 -0.962 4.358 -4.981 1.00 0.00 N ATOM 203 CA MET A 19 -1.803 4.559 -3.804 1.00 0.00 C ATOM 204 C MET A 19 -2.609 5.849 -3.930 1.00 0.00 C ATOM 205 O MET A 19 -3.771 5.910 -3.528 1.00 0.00 O ATOM 206 CB MET A 19 -0.940 4.607 -2.537 1.00 0.00 C ATOM 207 CG MET A 19 -1.734 4.636 -1.243 1.00 0.00 C ATOM 208 SD MET A 19 -2.505 3.054 -0.867 1.00 0.00 S ATOM 209 CE MET A 19 -1.099 2.126 -0.260 1.00 0.00 C ATOM 0 H MET A 19 0.039 4.411 -4.792 1.00 0.00 H new ATOM 0 HA MET A 19 -2.496 3.720 -3.733 1.00 0.00 H new ATOM 0 HB2 MET A 19 -0.281 3.738 -2.527 1.00 0.00 H new ATOM 0 HB3 MET A 19 -0.302 5.490 -2.579 1.00 0.00 H new ATOM 0 HG2 MET A 19 -1.074 4.918 -0.423 1.00 0.00 H new ATOM 0 HG3 MET A 19 -2.504 5.404 -1.311 1.00 0.00 H new ATOM 0 HE1 MET A 19 -1.018 1.187 -0.808 1.00 0.00 H new ATOM 0 HE2 MET A 19 -0.189 2.709 -0.403 1.00 0.00 H new ATOM 0 HE3 MET A 19 -1.232 1.916 0.801 1.00 0.00 H new ATOM 219 N PHE A 20 -1.979 6.880 -4.488 1.00 0.00 N ATOM 220 CA PHE A 20 -2.630 8.173 -4.665 1.00 0.00 C ATOM 221 C PHE A 20 -2.476 8.668 -6.102 1.00 0.00 C ATOM 222 O PHE A 20 -1.783 9.655 -6.352 1.00 0.00 O ATOM 223 CB PHE A 20 -2.039 9.208 -3.704 1.00 0.00 C ATOM 224 CG PHE A 20 -1.788 8.678 -2.323 1.00 0.00 C ATOM 225 CD1 PHE A 20 -2.819 8.576 -1.403 1.00 0.00 C ATOM 226 CD2 PHE A 20 -0.514 8.285 -1.944 1.00 0.00 C ATOM 227 CE1 PHE A 20 -2.585 8.090 -0.131 1.00 0.00 C ATOM 228 CE2 PHE A 20 -0.274 7.798 -0.672 1.00 0.00 C ATOM 229 CZ PHE A 20 -1.312 7.700 0.234 1.00 0.00 C ATOM 0 H PHE A 20 -1.017 6.844 -4.825 1.00 0.00 H new ATOM 0 HA PHE A 20 -3.690 8.044 -4.447 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -1.101 9.579 -4.117 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -2.717 10.059 -3.639 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -3.817 8.880 -1.683 1.00 0.00 H new ATOM 0 HD2 PHE A 20 0.300 8.360 -2.650 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -3.397 8.015 0.577 1.00 0.00 H new ATOM 0 HE2 PHE A 20 0.723 7.495 -0.388 1.00 0.00 H new ATOM 0 HZ PHE A 20 -1.128 7.318 1.227 1.00 0.00 H new ATOM 239 N PRO A 21 -3.121 7.993 -7.071 1.00 0.00 N ATOM 240 CA PRO A 21 -3.048 8.381 -8.483 1.00 0.00 C ATOM 241 C PRO A 21 -3.422 9.844 -8.685 1.00 0.00 C ATOM 242 O PRO A 21 -2.821 10.545 -9.499 1.00 0.00 O ATOM 243 CB PRO A 21 -4.065 7.462 -9.176 1.00 0.00 C ATOM 244 CG PRO A 21 -4.874 6.858 -8.075 1.00 0.00 C ATOM 245 CD PRO A 21 -3.974 6.814 -6.876 1.00 0.00 C ATOM 0 HA PRO A 21 -2.039 8.278 -8.883 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -4.697 8.024 -9.864 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -3.563 6.692 -9.761 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -5.764 7.454 -7.873 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -5.214 5.858 -8.344 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -4.537 6.871 -5.944 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -3.391 5.894 -6.840 1.00 0.00 H new ATOM 253 N ALA A 22 -4.418 10.295 -7.931 1.00 0.00 N ATOM 254 CA ALA A 22 -4.881 11.673 -8.013 1.00 0.00 C ATOM 255 C ALA A 22 -3.784 12.650 -7.595 1.00 0.00 C ATOM 256 O ALA A 22 -3.586 13.683 -8.235 1.00 0.00 O ATOM 257 CB ALA A 22 -6.115 11.863 -7.145 1.00 0.00 C ATOM 0 H ALA A 22 -4.922 9.723 -7.253 1.00 0.00 H new ATOM 0 HA ALA A 22 -5.140 11.882 -9.051 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -6.453 12.897 -7.214 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.908 11.199 -7.489 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.870 11.629 -6.109 1.00 0.00 H new ATOM 263 N ILE A 23 -3.077 12.320 -6.516 1.00 0.00 N ATOM 264 CA ILE A 23 -2.006 13.171 -6.014 1.00 0.00 C ATOM 265 C ILE A 23 -0.821 13.197 -6.976 1.00 0.00 C ATOM 266 O ILE A 23 -0.401 12.158 -7.488 1.00 0.00 O ATOM 267 CB ILE A 23 -1.521 12.709 -4.623 1.00 0.00 C ATOM 268 CG1 ILE A 23 -2.671 12.767 -3.613 1.00 0.00 C ATOM 269 CG2 ILE A 23 -0.353 13.565 -4.155 1.00 0.00 C ATOM 270 CD1 ILE A 23 -2.281 12.329 -2.215 1.00 0.00 C ATOM 0 H ILE A 23 -3.228 11.469 -5.974 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.418 14.176 -5.928 1.00 0.00 H new ATOM 0 HB ILE A 23 -1.180 11.677 -4.699 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.054 13.787 -3.571 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -3.486 12.135 -3.967 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -0.024 13.226 -3.173 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.470 13.477 -4.864 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -0.668 14.607 -4.092 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -3.147 12.398 -1.557 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -1.927 11.299 -2.242 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -1.488 12.976 -1.839 1.00 0.00 H new ATOM 282 N SER A 24 -0.287 14.391 -7.212 1.00 0.00 N ATOM 283 CA SER A 24 0.852 14.563 -8.105 1.00 0.00 C ATOM 284 C SER A 24 2.071 13.811 -7.581 1.00 0.00 C ATOM 285 O SER A 24 2.299 13.748 -6.372 1.00 0.00 O ATOM 286 CB SER A 24 1.182 16.049 -8.264 1.00 0.00 C ATOM 287 OG SER A 24 0.073 16.765 -8.779 1.00 0.00 O ATOM 0 H SER A 24 -0.627 15.257 -6.795 1.00 0.00 H new ATOM 0 HA SER A 24 0.585 14.152 -9.079 1.00 0.00 H new ATOM 0 HB2 SER A 24 1.472 16.466 -7.299 1.00 0.00 H new ATOM 0 HB3 SER A 24 2.036 16.166 -8.931 1.00 0.00 H new ATOM 0 HG SER A 24 0.309 17.712 -8.870 1.00 0.00 H new ATOM 293 N LYS A 25 2.849 13.238 -8.496 1.00 0.00 N ATOM 294 CA LYS A 25 4.042 12.485 -8.126 1.00 0.00 C ATOM 295 C LYS A 25 5.003 13.341 -7.301 1.00 0.00 C ATOM 296 O LYS A 25 5.593 12.864 -6.331 1.00 0.00 O ATOM 297 CB LYS A 25 4.750 11.968 -9.381 1.00 0.00 C ATOM 298 CG LYS A 25 5.990 11.141 -9.083 1.00 0.00 C ATOM 299 CD LYS A 25 6.675 10.681 -10.360 1.00 0.00 C ATOM 300 CE LYS A 25 7.925 9.871 -10.058 1.00 0.00 C ATOM 301 NZ LYS A 25 8.630 9.448 -11.299 1.00 0.00 N ATOM 0 H LYS A 25 2.673 13.282 -9.500 1.00 0.00 H new ATOM 0 HA LYS A 25 3.729 11.639 -7.514 1.00 0.00 H new ATOM 0 HB2 LYS A 25 4.051 11.364 -9.960 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.031 12.816 -10.005 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.687 11.731 -8.487 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.714 10.273 -8.484 1.00 0.00 H new ATOM 0 HD2 LYS A 25 5.983 10.079 -10.949 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.939 11.548 -10.966 1.00 0.00 H new ATOM 0 HE2 LYS A 25 8.601 10.464 -9.442 1.00 0.00 H new ATOM 0 HE3 LYS A 25 7.654 8.990 -9.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 9.476 8.898 -11.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 7.995 8.861 -11.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 8.912 10.289 -11.842 1.00 0.00 H new ATOM 315 N SER A 26 5.157 14.604 -7.694 1.00 0.00 N ATOM 316 CA SER A 26 6.048 15.523 -6.990 1.00 0.00 C ATOM 317 C SER A 26 5.699 15.592 -5.507 1.00 0.00 C ATOM 318 O SER A 26 6.571 15.472 -4.647 1.00 0.00 O ATOM 319 CB SER A 26 5.966 16.920 -7.608 1.00 0.00 C ATOM 320 OG SER A 26 6.362 16.903 -8.968 1.00 0.00 O ATOM 0 H SER A 26 4.677 15.014 -8.495 1.00 0.00 H new ATOM 0 HA SER A 26 7.066 15.147 -7.089 1.00 0.00 H new ATOM 0 HB2 SER A 26 4.946 17.296 -7.528 1.00 0.00 H new ATOM 0 HB3 SER A 26 6.603 17.606 -7.050 1.00 0.00 H new ATOM 0 HG SER A 26 6.298 17.808 -9.339 1.00 0.00 H new ATOM 326 N LYS A 27 4.415 15.776 -5.215 1.00 0.00 N ATOM 327 CA LYS A 27 3.943 15.854 -3.837 1.00 0.00 C ATOM 328 C LYS A 27 4.275 14.576 -3.079 1.00 0.00 C ATOM 329 O LYS A 27 4.624 14.617 -1.900 1.00 0.00 O ATOM 330 CB LYS A 27 2.435 16.110 -3.807 1.00 0.00 C ATOM 331 CG LYS A 27 1.862 16.214 -2.404 1.00 0.00 C ATOM 332 CD LYS A 27 0.377 16.538 -2.433 1.00 0.00 C ATOM 333 CE LYS A 27 -0.200 16.644 -1.032 1.00 0.00 C ATOM 334 NZ LYS A 27 -1.655 16.963 -1.055 1.00 0.00 N ATOM 0 H LYS A 27 3.681 15.874 -5.917 1.00 0.00 H new ATOM 0 HA LYS A 27 4.451 16.685 -3.348 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.221 17.032 -4.347 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.928 15.305 -4.338 1.00 0.00 H new ATOM 0 HG2 LYS A 27 2.021 15.275 -1.874 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.394 16.987 -1.849 1.00 0.00 H new ATOM 0 HD2 LYS A 27 0.219 17.477 -2.964 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -0.154 15.765 -2.988 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.042 15.705 -0.502 1.00 0.00 H new ATOM 0 HE3 LYS A 27 0.333 17.416 -0.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -2.012 17.027 -0.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.804 17.872 -1.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -2.167 16.213 -1.562 1.00 0.00 H new ATOM 348 N LEU A 28 4.160 13.445 -3.763 1.00 0.00 N ATOM 349 CA LEU A 28 4.446 12.155 -3.153 1.00 0.00 C ATOM 350 C LEU A 28 5.907 12.051 -2.723 1.00 0.00 C ATOM 351 O LEU A 28 6.206 11.578 -1.626 1.00 0.00 O ATOM 352 CB LEU A 28 4.066 11.023 -4.110 1.00 0.00 C ATOM 353 CG LEU A 28 2.567 10.937 -4.423 1.00 0.00 C ATOM 354 CD1 LEU A 28 2.274 9.795 -5.381 1.00 0.00 C ATOM 355 CD2 LEU A 28 1.764 10.778 -3.139 1.00 0.00 C ATOM 0 H LEU A 28 3.871 13.396 -4.740 1.00 0.00 H new ATOM 0 HA LEU A 28 3.841 12.062 -2.251 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.613 11.153 -5.044 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.390 10.075 -3.680 1.00 0.00 H new ATOM 0 HG LEU A 28 2.268 11.867 -4.907 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.204 9.757 -5.586 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.816 9.954 -6.313 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.591 8.853 -4.933 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.702 10.719 -3.379 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.072 9.866 -2.628 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.942 11.636 -2.490 1.00 0.00 H new ATOM 367 N GLN A 29 6.816 12.504 -3.579 1.00 0.00 N ATOM 368 CA GLN A 29 8.242 12.466 -3.267 1.00 0.00 C ATOM 369 C GLN A 29 8.570 13.384 -2.090 1.00 0.00 C ATOM 370 O GLN A 29 9.351 13.023 -1.210 1.00 0.00 O ATOM 371 CB GLN A 29 9.067 12.877 -4.490 1.00 0.00 C ATOM 372 CG GLN A 29 10.568 12.846 -4.248 1.00 0.00 C ATOM 373 CD GLN A 29 11.364 13.301 -5.456 1.00 0.00 C ATOM 374 OE1 GLN A 29 11.282 12.704 -6.529 1.00 0.00 O ATOM 375 NE2 GLN A 29 12.140 14.366 -5.286 1.00 0.00 N ATOM 0 H GLN A 29 6.593 12.901 -4.492 1.00 0.00 H new ATOM 0 HA GLN A 29 8.497 11.443 -2.990 1.00 0.00 H new ATOM 0 HB2 GLN A 29 8.827 12.213 -5.320 1.00 0.00 H new ATOM 0 HB3 GLN A 29 8.777 13.883 -4.793 1.00 0.00 H new ATOM 0 HG2 GLN A 29 10.808 13.485 -3.398 1.00 0.00 H new ATOM 0 HG3 GLN A 29 10.868 11.833 -3.981 1.00 0.00 H new ATOM 0 HE21 GLN A 29 12.177 14.830 -4.379 1.00 0.00 H new ATOM 0 HE22 GLN A 29 12.698 14.719 -6.063 1.00 0.00 H new ATOM 384 N VAL A 30 7.978 14.576 -2.089 1.00 0.00 N ATOM 385 CA VAL A 30 8.218 15.557 -1.032 1.00 0.00 C ATOM 386 C VAL A 30 7.823 15.027 0.346 1.00 0.00 C ATOM 387 O VAL A 30 8.655 14.961 1.255 1.00 0.00 O ATOM 388 CB VAL A 30 7.447 16.863 -1.300 1.00 0.00 C ATOM 389 CG1 VAL A 30 7.696 17.875 -0.192 1.00 0.00 C ATOM 390 CG2 VAL A 30 7.830 17.442 -2.653 1.00 0.00 C ATOM 0 H VAL A 30 7.327 14.887 -2.810 1.00 0.00 H new ATOM 0 HA VAL A 30 9.290 15.754 -1.037 1.00 0.00 H new ATOM 0 HB VAL A 30 6.382 16.633 -1.315 1.00 0.00 H new ATOM 0 HG11 VAL A 30 7.141 18.789 -0.403 1.00 0.00 H new ATOM 0 HG12 VAL A 30 7.364 17.461 0.760 1.00 0.00 H new ATOM 0 HG13 VAL A 30 8.761 18.101 -0.138 1.00 0.00 H new ATOM 0 HG21 VAL A 30 7.275 18.364 -2.824 1.00 0.00 H new ATOM 0 HG22 VAL A 30 8.899 17.654 -2.669 1.00 0.00 H new ATOM 0 HG23 VAL A 30 7.591 16.724 -3.437 1.00 0.00 H new ATOM 400 N HIS A 31 6.553 14.662 0.506 1.00 0.00 N ATOM 401 CA HIS A 31 6.070 14.158 1.786 1.00 0.00 C ATOM 402 C HIS A 31 6.850 12.924 2.201 1.00 0.00 C ATOM 403 O HIS A 31 7.215 12.767 3.366 1.00 0.00 O ATOM 404 CB HIS A 31 4.569 13.859 1.725 1.00 0.00 C ATOM 405 CG HIS A 31 4.184 12.676 0.898 1.00 0.00 C ATOM 406 ND1 HIS A 31 4.656 11.403 1.128 1.00 0.00 N ATOM 407 CD2 HIS A 31 3.318 12.572 -0.133 1.00 0.00 C ATOM 408 CE1 HIS A 31 4.096 10.568 0.276 1.00 0.00 C ATOM 409 NE2 HIS A 31 3.277 11.249 -0.500 1.00 0.00 N ATOM 0 H HIS A 31 5.847 14.706 -0.228 1.00 0.00 H new ATOM 0 HA HIS A 31 6.227 14.931 2.538 1.00 0.00 H new ATOM 0 HB2 HIS A 31 4.205 13.705 2.741 1.00 0.00 H new ATOM 0 HB3 HIS A 31 4.057 14.737 1.333 1.00 0.00 H new ATOM 0 HD1 HIS A 31 5.334 11.146 1.846 1.00 0.00 H new ATOM 0 HD2 HIS A 31 2.761 13.379 -0.585 1.00 0.00 H new ATOM 0 HE1 HIS A 31 4.278 9.505 0.223 1.00 0.00 H new ATOM 418 N LEU A 32 7.107 12.056 1.235 1.00 0.00 N ATOM 419 CA LEU A 32 7.856 10.833 1.497 1.00 0.00 C ATOM 420 C LEU A 32 9.205 11.170 2.122 1.00 0.00 C ATOM 421 O LEU A 32 9.631 10.533 3.086 1.00 0.00 O ATOM 422 CB LEU A 32 8.059 10.034 0.210 1.00 0.00 C ATOM 423 CG LEU A 32 8.782 8.699 0.390 1.00 0.00 C ATOM 424 CD1 LEU A 32 7.990 7.781 1.310 1.00 0.00 C ATOM 425 CD2 LEU A 32 9.014 8.035 -0.957 1.00 0.00 C ATOM 0 H LEU A 32 6.810 12.173 0.266 1.00 0.00 H new ATOM 0 HA LEU A 32 7.282 10.221 2.193 1.00 0.00 H new ATOM 0 HB2 LEU A 32 7.085 9.845 -0.241 1.00 0.00 H new ATOM 0 HB3 LEU A 32 8.624 10.645 -0.495 1.00 0.00 H new ATOM 0 HG LEU A 32 9.751 8.891 0.851 1.00 0.00 H new ATOM 0 HD11 LEU A 32 8.521 6.836 1.426 1.00 0.00 H new ATOM 0 HD12 LEU A 32 7.875 8.254 2.285 1.00 0.00 H new ATOM 0 HD13 LEU A 32 7.006 7.594 0.879 1.00 0.00 H new ATOM 0 HD21 LEU A 32 9.530 7.086 -0.811 1.00 0.00 H new ATOM 0 HD22 LEU A 32 8.056 7.856 -1.444 1.00 0.00 H new ATOM 0 HD23 LEU A 32 9.623 8.686 -1.584 1.00 0.00 H new ATOM 437 N LEU A 33 9.863 12.189 1.577 1.00 0.00 N ATOM 438 CA LEU A 33 11.153 12.627 2.090 1.00 0.00 C ATOM 439 C LEU A 33 11.017 13.096 3.533 1.00 0.00 C ATOM 440 O LEU A 33 11.867 12.807 4.375 1.00 0.00 O ATOM 441 CB LEU A 33 11.722 13.760 1.232 1.00 0.00 C ATOM 442 CG LEU A 33 12.147 13.363 -0.182 1.00 0.00 C ATOM 443 CD1 LEU A 33 12.583 14.591 -0.966 1.00 0.00 C ATOM 444 CD2 LEU A 33 13.269 12.335 -0.133 1.00 0.00 C ATOM 0 H LEU A 33 9.522 12.726 0.780 1.00 0.00 H new ATOM 0 HA LEU A 33 11.838 11.780 2.051 1.00 0.00 H new ATOM 0 HB2 LEU A 33 10.974 14.549 1.160 1.00 0.00 H new ATOM 0 HB3 LEU A 33 12.584 14.184 1.746 1.00 0.00 H new ATOM 0 HG LEU A 33 11.292 12.914 -0.688 1.00 0.00 H new ATOM 0 HD11 LEU A 33 12.883 14.294 -1.971 1.00 0.00 H new ATOM 0 HD12 LEU A 33 11.754 15.296 -1.028 1.00 0.00 H new ATOM 0 HD13 LEU A 33 13.425 15.065 -0.461 1.00 0.00 H new ATOM 0 HD21 LEU A 33 13.559 12.064 -1.148 1.00 0.00 H new ATOM 0 HD22 LEU A 33 14.127 12.758 0.389 1.00 0.00 H new ATOM 0 HD23 LEU A 33 12.925 11.446 0.396 1.00 0.00 H new ATOM 456 N GLU A 34 9.939 13.829 3.808 1.00 0.00 N ATOM 457 CA GLU A 34 9.685 14.347 5.148 1.00 0.00 C ATOM 458 C GLU A 34 9.648 13.218 6.175 1.00 0.00 C ATOM 459 O GLU A 34 10.379 13.243 7.165 1.00 0.00 O ATOM 460 CB GLU A 34 8.364 15.118 5.176 1.00 0.00 C ATOM 461 CG GLU A 34 8.317 16.279 4.196 1.00 0.00 C ATOM 462 CD GLU A 34 6.992 17.015 4.232 1.00 0.00 C ATOM 463 OE1 GLU A 34 6.631 17.540 5.307 1.00 0.00 O ATOM 464 OE2 GLU A 34 6.315 17.067 3.183 1.00 0.00 O ATOM 0 H GLU A 34 9.228 14.077 3.119 1.00 0.00 H new ATOM 0 HA GLU A 34 10.501 15.022 5.408 1.00 0.00 H new ATOM 0 HB2 GLU A 34 7.547 14.431 4.953 1.00 0.00 H new ATOM 0 HB3 GLU A 34 8.195 15.497 6.184 1.00 0.00 H new ATOM 0 HG2 GLU A 34 9.123 16.976 4.425 1.00 0.00 H new ATOM 0 HG3 GLU A 34 8.495 15.906 3.187 1.00 0.00 H new ATOM 471 N ASN A 35 8.796 12.226 5.931 1.00 0.00 N ATOM 472 CA ASN A 35 8.670 11.085 6.833 1.00 0.00 C ATOM 473 C ASN A 35 9.736 10.035 6.530 1.00 0.00 C ATOM 474 O ASN A 35 9.479 8.835 6.624 1.00 0.00 O ATOM 475 CB ASN A 35 7.274 10.468 6.715 1.00 0.00 C ATOM 476 CG ASN A 35 6.178 11.454 7.071 1.00 0.00 C ATOM 477 OD1 ASN A 35 5.298 11.733 6.116 1.00 0.00 O flip ATOM 478 ND2 ASN A 35 6.125 11.961 8.191 1.00 0.00 N flip ATOM 0 H ASN A 35 8.183 12.189 5.117 1.00 0.00 H new ATOM 0 HA ASN A 35 8.816 11.438 7.854 1.00 0.00 H new ATOM 0 HB2 ASN A 35 7.122 10.111 5.696 1.00 0.00 H new ATOM 0 HB3 ASN A 35 7.206 9.600 7.371 1.00 0.00 H new ATOM 0 HD21 ASN A 35 6.822 11.718 8.894 1.00 0.00 H new ATOM 0 HD22 ASN A 35 5.384 12.625 8.416 1.00 0.00 H new ATOM 485 N ASN A 36 10.930 10.504 6.167 1.00 0.00 N ATOM 486 CA ASN A 36 12.056 9.632 5.838 1.00 0.00 C ATOM 487 C ASN A 36 11.757 8.797 4.599 1.00 0.00 C ATOM 488 O ASN A 36 12.275 9.070 3.515 1.00 0.00 O ATOM 489 CB ASN A 36 12.392 8.717 7.018 1.00 0.00 C ATOM 490 CG ASN A 36 12.768 9.493 8.264 1.00 0.00 C ATOM 491 OD1 ASN A 36 13.740 10.249 8.267 1.00 0.00 O ATOM 492 ND2 ASN A 36 12.000 9.309 9.331 1.00 0.00 N ATOM 0 H ASN A 36 11.143 11.499 6.093 1.00 0.00 H new ATOM 0 HA ASN A 36 12.918 10.265 5.627 1.00 0.00 H new ATOM 0 HB2 ASN A 36 11.535 8.080 7.235 1.00 0.00 H new ATOM 0 HB3 ASN A 36 13.216 8.059 6.741 1.00 0.00 H new ATOM 0 HD21 ASN A 36 12.206 9.804 10.199 1.00 0.00 H new ATOM 0 HD22 ASN A 36 11.204 8.673 9.283 1.00 0.00 H new ATOM 499 N ASN A 37 10.913 7.787 4.769 1.00 0.00 N ATOM 500 CA ASN A 37 10.528 6.905 3.672 1.00 0.00 C ATOM 501 C ASN A 37 9.563 5.824 4.150 1.00 0.00 C ATOM 502 O ASN A 37 9.525 4.724 3.596 1.00 0.00 O ATOM 503 CB ASN A 37 11.767 6.254 3.052 1.00 0.00 C ATOM 504 CG ASN A 37 12.558 5.435 4.054 1.00 0.00 C ATOM 505 OD1 ASN A 37 12.053 4.466 4.620 1.00 0.00 O ATOM 506 ND2 ASN A 37 13.807 5.824 4.280 1.00 0.00 N ATOM 0 H ASN A 37 10.479 7.556 5.663 1.00 0.00 H new ATOM 0 HA ASN A 37 10.024 7.510 2.918 1.00 0.00 H new ATOM 0 HB2 ASN A 37 11.461 5.613 2.225 1.00 0.00 H new ATOM 0 HB3 ASN A 37 12.409 7.029 2.634 1.00 0.00 H new ATOM 0 HD21 ASN A 37 14.388 5.313 4.945 1.00 0.00 H new ATOM 0 HD22 ASN A 37 14.186 6.633 3.789 1.00 0.00 H new ATOM 513 N ASP A 38 8.783 6.140 5.180 1.00 0.00 N ATOM 514 CA ASP A 38 7.821 5.190 5.726 1.00 0.00 C ATOM 515 C ASP A 38 6.448 5.391 5.092 1.00 0.00 C ATOM 516 O ASP A 38 5.905 6.495 5.103 1.00 0.00 O ATOM 517 CB ASP A 38 7.729 5.343 7.245 1.00 0.00 C ATOM 518 CG ASP A 38 6.918 4.236 7.891 1.00 0.00 C ATOM 519 OD1 ASP A 38 5.736 4.075 7.530 1.00 0.00 O ATOM 520 OD2 ASP A 38 7.470 3.529 8.761 1.00 0.00 O ATOM 0 H ASP A 38 8.799 7.044 5.652 1.00 0.00 H new ATOM 0 HA ASP A 38 8.164 4.182 5.494 1.00 0.00 H new ATOM 0 HB2 ASP A 38 8.733 5.348 7.668 1.00 0.00 H new ATOM 0 HB3 ASP A 38 7.278 6.306 7.484 1.00 0.00 H new ATOM 525 N LEU A 39 5.891 4.316 4.542 1.00 0.00 N ATOM 526 CA LEU A 39 4.581 4.374 3.902 1.00 0.00 C ATOM 527 C LEU A 39 3.454 4.349 4.928 1.00 0.00 C ATOM 528 O LEU A 39 2.485 5.092 4.815 1.00 0.00 O ATOM 529 CB LEU A 39 4.415 3.209 2.924 1.00 0.00 C ATOM 530 CG LEU A 39 5.367 3.224 1.727 1.00 0.00 C ATOM 531 CD1 LEU A 39 5.154 1.993 0.863 1.00 0.00 C ATOM 532 CD2 LEU A 39 5.170 4.490 0.907 1.00 0.00 C ATOM 0 H LEU A 39 6.327 3.394 4.527 1.00 0.00 H new ATOM 0 HA LEU A 39 4.523 5.316 3.357 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.556 2.275 3.469 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.390 3.210 2.553 1.00 0.00 H new ATOM 0 HG LEU A 39 6.391 3.210 2.100 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.839 2.020 0.016 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.342 1.097 1.454 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.127 1.978 0.498 1.00 0.00 H new ATOM 0 HD21 LEU A 39 5.855 4.485 0.059 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.143 4.532 0.544 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.370 5.362 1.530 1.00 0.00 H new ATOM 544 N ASP A 40 3.579 3.476 5.918 1.00 0.00 N ATOM 545 CA ASP A 40 2.560 3.340 6.954 1.00 0.00 C ATOM 546 C ASP A 40 2.216 4.688 7.587 1.00 0.00 C ATOM 547 O ASP A 40 1.043 5.042 7.714 1.00 0.00 O ATOM 548 CB ASP A 40 3.042 2.367 8.031 1.00 0.00 C ATOM 549 CG ASP A 40 3.444 1.020 7.459 1.00 0.00 C ATOM 550 OD1 ASP A 40 4.366 0.984 6.617 1.00 0.00 O ATOM 551 OD2 ASP A 40 2.840 0.002 7.853 1.00 0.00 O ATOM 0 H ASP A 40 4.377 2.850 6.027 1.00 0.00 H new ATOM 0 HA ASP A 40 1.656 2.951 6.485 1.00 0.00 H new ATOM 0 HB2 ASP A 40 3.892 2.803 8.556 1.00 0.00 H new ATOM 0 HB3 ASP A 40 2.251 2.224 8.767 1.00 0.00 H new ATOM 556 N LEU A 41 3.242 5.432 7.986 1.00 0.00 N ATOM 557 CA LEU A 41 3.050 6.736 8.614 1.00 0.00 C ATOM 558 C LEU A 41 2.450 7.744 7.640 1.00 0.00 C ATOM 559 O LEU A 41 1.341 8.247 7.842 1.00 0.00 O ATOM 560 CB LEU A 41 4.389 7.274 9.124 1.00 0.00 C ATOM 561 CG LEU A 41 4.303 8.552 9.962 1.00 0.00 C ATOM 562 CD1 LEU A 41 3.475 8.315 11.217 1.00 0.00 C ATOM 563 CD2 LEU A 41 5.698 9.042 10.325 1.00 0.00 C ATOM 0 H LEU A 41 4.218 5.154 7.886 1.00 0.00 H new ATOM 0 HA LEU A 41 2.358 6.601 9.445 1.00 0.00 H new ATOM 0 HB2 LEU A 41 4.870 6.499 9.721 1.00 0.00 H new ATOM 0 HB3 LEU A 41 5.036 7.463 8.267 1.00 0.00 H new ATOM 0 HG LEU A 41 3.810 9.322 9.369 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.426 9.235 11.799 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.467 8.009 10.936 1.00 0.00 H new ATOM 0 HD13 LEU A 41 3.938 7.531 11.816 1.00 0.00 H new ATOM 0 HD21 LEU A 41 5.621 9.951 10.921 1.00 0.00 H new ATOM 0 HD22 LEU A 41 6.215 8.274 10.900 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.258 9.252 9.414 1.00 0.00 H new ATOM 575 N THR A 42 3.209 8.046 6.595 1.00 0.00 N ATOM 576 CA THR A 42 2.788 9.012 5.588 1.00 0.00 C ATOM 577 C THR A 42 1.412 8.683 5.018 1.00 0.00 C ATOM 578 O THR A 42 0.493 9.498 5.095 1.00 0.00 O ATOM 579 CB THR A 42 3.794 9.084 4.428 1.00 0.00 C ATOM 580 OG1 THR A 42 5.115 9.306 4.935 1.00 0.00 O ATOM 581 CG2 THR A 42 3.422 10.203 3.471 1.00 0.00 C ATOM 0 H THR A 42 4.125 7.633 6.422 1.00 0.00 H new ATOM 0 HA THR A 42 2.740 9.976 6.095 1.00 0.00 H new ATOM 0 HB THR A 42 3.768 8.136 3.891 1.00 0.00 H new ATOM 0 HG1 THR A 42 5.238 10.260 5.122 1.00 0.00 H new ATOM 0 HG21 THR A 42 4.145 10.240 2.656 1.00 0.00 H new ATOM 0 HG22 THR A 42 2.427 10.019 3.066 1.00 0.00 H new ATOM 0 HG23 THR A 42 3.427 11.154 4.004 1.00 0.00 H new ATOM 589 N ILE A 43 1.276 7.494 4.442 1.00 0.00 N ATOM 590 CA ILE A 43 0.010 7.074 3.856 1.00 0.00 C ATOM 591 C ILE A 43 -1.113 7.115 4.888 1.00 0.00 C ATOM 592 O ILE A 43 -2.219 7.573 4.593 1.00 0.00 O ATOM 593 CB ILE A 43 0.095 5.655 3.262 1.00 0.00 C ATOM 594 CG1 ILE A 43 1.164 5.592 2.169 1.00 0.00 C ATOM 595 CG2 ILE A 43 -1.254 5.236 2.710 1.00 0.00 C ATOM 596 CD1 ILE A 43 1.290 4.227 1.522 1.00 0.00 C ATOM 0 H ILE A 43 2.025 6.806 4.369 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.208 7.777 3.052 1.00 0.00 H new ATOM 0 HB ILE A 43 0.377 4.963 4.056 1.00 0.00 H new ATOM 0 HG12 ILE A 43 0.930 6.329 1.401 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.126 5.872 2.597 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.180 4.232 2.293 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.993 5.243 3.511 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -1.559 5.932 1.928 1.00 0.00 H new ATOM 0 HD11 ILE A 43 2.066 4.257 0.757 1.00 0.00 H new ATOM 0 HD12 ILE A 43 1.555 3.489 2.279 1.00 0.00 H new ATOM 0 HD13 ILE A 43 0.340 3.952 1.064 1.00 0.00 H new ATOM 608 N GLY A 44 -0.824 6.641 6.099 1.00 0.00 N ATOM 609 CA GLY A 44 -1.825 6.644 7.149 1.00 0.00 C ATOM 610 C GLY A 44 -2.453 8.011 7.323 1.00 0.00 C ATOM 611 O GLY A 44 -3.674 8.138 7.416 1.00 0.00 O ATOM 0 H GLY A 44 0.082 6.257 6.369 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -2.600 5.915 6.914 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -1.368 6.332 8.088 1.00 0.00 H new ATOM 615 N LEU A 45 -1.611 9.039 7.351 1.00 0.00 N ATOM 616 CA LEU A 45 -2.079 10.412 7.495 1.00 0.00 C ATOM 617 C LEU A 45 -2.704 10.898 6.186 1.00 0.00 C ATOM 618 O LEU A 45 -3.636 11.702 6.193 1.00 0.00 O ATOM 619 CB LEU A 45 -0.911 11.319 7.916 1.00 0.00 C ATOM 620 CG LEU A 45 -1.263 12.778 8.250 1.00 0.00 C ATOM 621 CD1 LEU A 45 -1.512 13.586 6.986 1.00 0.00 C ATOM 622 CD2 LEU A 45 -2.473 12.844 9.174 1.00 0.00 C ATOM 0 H LEU A 45 -0.598 8.946 7.276 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.844 10.451 8.270 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.431 10.875 8.788 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.174 11.321 7.113 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.410 13.216 8.768 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.759 14.613 7.254 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.615 13.578 6.366 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.341 13.147 6.431 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.704 13.886 9.397 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.329 12.379 8.686 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.252 12.315 10.101 1.00 0.00 H new ATOM 634 N LEU A 46 -2.173 10.406 5.070 1.00 0.00 N ATOM 635 CA LEU A 46 -2.655 10.786 3.743 1.00 0.00 C ATOM 636 C LEU A 46 -4.150 10.523 3.567 1.00 0.00 C ATOM 637 O LEU A 46 -4.867 11.363 3.021 1.00 0.00 O ATOM 638 CB LEU A 46 -1.874 10.034 2.661 1.00 0.00 C ATOM 639 CG LEU A 46 -0.931 10.889 1.807 1.00 0.00 C ATOM 640 CD1 LEU A 46 -1.687 12.031 1.146 1.00 0.00 C ATOM 641 CD2 LEU A 46 0.222 11.423 2.641 1.00 0.00 C ATOM 0 H LEU A 46 -1.402 9.738 5.058 1.00 0.00 H new ATOM 0 HA LEU A 46 -2.494 11.859 3.643 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.289 9.249 3.140 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.587 9.542 2.000 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.518 10.253 1.024 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.998 12.624 0.545 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.471 11.626 0.506 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.136 12.662 1.913 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.877 12.026 2.012 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -0.169 12.037 3.452 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.787 10.589 3.058 1.00 0.00 H new ATOM 653 N LEU A 47 -4.617 9.355 4.009 1.00 0.00 N ATOM 654 CA LEU A 47 -6.031 9.001 3.869 1.00 0.00 C ATOM 655 C LEU A 47 -6.929 10.138 4.352 1.00 0.00 C ATOM 656 O LEU A 47 -7.836 10.571 3.641 1.00 0.00 O ATOM 657 CB LEU A 47 -6.351 7.726 4.648 1.00 0.00 C ATOM 658 CG LEU A 47 -5.461 6.525 4.320 1.00 0.00 C ATOM 659 CD1 LEU A 47 -5.842 5.327 5.175 1.00 0.00 C ATOM 660 CD2 LEU A 47 -5.558 6.179 2.841 1.00 0.00 C ATOM 0 H LEU A 47 -4.044 8.644 4.463 1.00 0.00 H new ATOM 0 HA LEU A 47 -6.224 8.827 2.811 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -6.269 7.939 5.714 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -7.389 7.453 4.457 1.00 0.00 H new ATOM 0 HG LEU A 47 -4.428 6.791 4.545 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -5.198 4.483 4.927 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -5.721 5.579 6.229 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -6.881 5.059 4.983 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.919 5.323 2.625 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -6.590 5.933 2.592 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.234 7.033 2.246 1.00 0.00 H new ATOM 672 N LYS A 48 -6.664 10.621 5.561 1.00 0.00 N ATOM 673 CA LYS A 48 -7.437 11.714 6.143 1.00 0.00 C ATOM 674 C LYS A 48 -7.045 13.050 5.519 1.00 0.00 C ATOM 675 O LYS A 48 -7.867 13.962 5.411 1.00 0.00 O ATOM 676 CB LYS A 48 -7.232 11.763 7.656 1.00 0.00 C ATOM 677 CG LYS A 48 -7.686 10.501 8.371 1.00 0.00 C ATOM 678 CD LYS A 48 -7.497 10.615 9.875 1.00 0.00 C ATOM 679 CE LYS A 48 -7.962 9.359 10.592 1.00 0.00 C ATOM 680 NZ LYS A 48 -9.412 9.100 10.379 1.00 0.00 N ATOM 0 H LYS A 48 -5.916 10.271 6.160 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.491 11.532 5.934 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.176 11.930 7.866 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.776 12.616 8.061 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.736 10.313 8.148 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.123 9.646 7.996 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.445 10.794 10.098 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.053 11.475 10.248 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.385 8.505 10.238 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.764 9.457 11.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -9.737 8.375 11.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.948 9.978 10.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.566 8.766 9.406 1.00 0.00 H new ATOM 694 N GLU A 49 -5.779 13.158 5.122 1.00 0.00 N ATOM 695 CA GLU A 49 -5.257 14.379 4.515 1.00 0.00 C ATOM 696 C GLU A 49 -6.167 14.859 3.389 1.00 0.00 C ATOM 697 O GLU A 49 -6.458 16.050 3.284 1.00 0.00 O ATOM 698 CB GLU A 49 -3.838 14.134 3.984 1.00 0.00 C ATOM 699 CG GLU A 49 -3.130 15.385 3.475 1.00 0.00 C ATOM 700 CD GLU A 49 -3.742 15.939 2.202 1.00 0.00 C ATOM 701 OE1 GLU A 49 -3.787 15.201 1.196 1.00 0.00 O ATOM 702 OE2 GLU A 49 -4.173 17.111 2.213 1.00 0.00 O ATOM 0 H GLU A 49 -5.092 12.409 5.211 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.223 15.157 5.278 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -3.238 13.690 4.778 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.887 13.405 3.175 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -3.159 16.152 4.249 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -2.080 15.153 3.295 1.00 0.00 H new ATOM 709 N ASN A 50 -6.616 13.927 2.555 1.00 0.00 N ATOM 710 CA ASN A 50 -7.496 14.263 1.442 1.00 0.00 C ATOM 711 C ASN A 50 -8.706 15.046 1.938 1.00 0.00 C ATOM 712 O ASN A 50 -9.069 16.076 1.367 1.00 0.00 O ATOM 713 CB ASN A 50 -7.951 12.991 0.724 1.00 0.00 C ATOM 714 CG ASN A 50 -8.825 13.286 -0.480 1.00 0.00 C ATOM 715 OD1 ASN A 50 -9.899 13.874 -0.356 1.00 0.00 O ATOM 716 ND2 ASN A 50 -8.366 12.876 -1.657 1.00 0.00 N ATOM 0 H ASN A 50 -6.386 12.936 2.628 1.00 0.00 H new ATOM 0 HA ASN A 50 -6.942 14.885 0.739 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -7.076 12.425 0.404 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -8.501 12.360 1.422 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -8.909 13.045 -2.503 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -7.470 12.392 -1.714 1.00 0.00 H new ATOM 723 N ASP A 51 -9.318 14.559 3.012 1.00 0.00 N ATOM 724 CA ASP A 51 -10.479 15.217 3.595 1.00 0.00 C ATOM 725 C ASP A 51 -10.059 16.466 4.363 1.00 0.00 C ATOM 726 O ASP A 51 -9.166 16.414 5.209 1.00 0.00 O ATOM 727 CB ASP A 51 -11.225 14.259 4.523 1.00 0.00 C ATOM 728 CG ASP A 51 -12.432 14.906 5.172 1.00 0.00 C ATOM 729 OD1 ASP A 51 -13.336 15.349 4.433 1.00 0.00 O ATOM 730 OD2 ASP A 51 -12.474 14.970 6.418 1.00 0.00 O ATOM 0 H ASP A 51 -9.028 13.709 3.496 1.00 0.00 H new ATOM 0 HA ASP A 51 -11.145 15.513 2.785 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -11.546 13.385 3.957 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -10.545 13.905 5.298 1.00 0.00 H new ATOM 735 N ASP A 52 -10.711 17.583 4.065 1.00 0.00 N ATOM 736 CA ASP A 52 -10.412 18.848 4.726 1.00 0.00 C ATOM 737 C ASP A 52 -11.385 19.932 4.278 1.00 0.00 C ATOM 738 O ASP A 52 -11.570 20.155 3.081 1.00 0.00 O ATOM 739 CB ASP A 52 -8.974 19.282 4.424 1.00 0.00 C ATOM 740 CG ASP A 52 -8.573 20.536 5.176 1.00 0.00 C ATOM 741 OD1 ASP A 52 -9.397 21.051 5.962 1.00 0.00 O ATOM 742 OD2 ASP A 52 -7.430 21.003 4.983 1.00 0.00 O ATOM 0 H ASP A 52 -11.453 17.639 3.367 1.00 0.00 H new ATOM 0 HA ASP A 52 -10.520 18.703 5.801 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -8.292 18.473 4.685 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -8.868 19.456 3.353 1.00 0.00 H new ATOM 747 N LYS A 53 -12.001 20.602 5.248 1.00 0.00 N ATOM 748 CA LYS A 53 -12.958 21.666 4.961 1.00 0.00 C ATOM 749 C LYS A 53 -13.470 22.292 6.254 1.00 0.00 C ATOM 750 O LYS A 53 -13.523 23.515 6.384 1.00 0.00 O ATOM 751 CB LYS A 53 -14.131 21.120 4.142 1.00 0.00 C ATOM 752 CG LYS A 53 -15.145 22.177 3.741 1.00 0.00 C ATOM 753 CD LYS A 53 -16.218 21.598 2.834 1.00 0.00 C ATOM 754 CE LYS A 53 -17.219 22.659 2.406 1.00 0.00 C ATOM 755 NZ LYS A 53 -17.966 23.223 3.563 1.00 0.00 N ATOM 0 H LYS A 53 -11.854 20.426 6.242 1.00 0.00 H new ATOM 0 HA LYS A 53 -12.450 22.436 4.380 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -13.743 20.643 3.242 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -14.636 20.346 4.720 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -15.608 22.597 4.634 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -14.637 22.996 3.231 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -15.752 21.159 1.952 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -16.739 20.793 3.353 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -16.696 23.462 1.887 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -17.924 22.226 1.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -18.759 23.799 3.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -18.333 22.447 4.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -17.329 23.817 4.131 1.00 0.00 H new ATOM 769 N SER A 54 -13.842 21.441 7.208 1.00 0.00 N ATOM 770 CA SER A 54 -14.349 21.902 8.498 1.00 0.00 C ATOM 771 C SER A 54 -14.335 20.772 9.522 1.00 0.00 C ATOM 772 O SER A 54 -13.790 20.982 10.626 1.00 0.00 O ATOM 773 CB SER A 54 -15.773 22.446 8.352 1.00 0.00 C ATOM 774 OG SER A 54 -15.817 23.551 7.468 1.00 0.00 O ATOM 775 OXT SER A 54 -14.870 19.686 9.212 1.00 0.00 O ATOM 0 H SER A 54 -13.802 20.426 7.111 1.00 0.00 H new ATOM 0 HA SER A 54 -13.695 22.701 8.848 1.00 0.00 H new ATOM 0 HB2 SER A 54 -16.429 21.657 7.984 1.00 0.00 H new ATOM 0 HB3 SER A 54 -16.152 22.745 9.329 1.00 0.00 H new ATOM 0 HG SER A 54 -14.906 23.864 7.290 1.00 0.00 H new TER 781 SER A 54 ATOM 782 N MET B 1 -17.644 -10.674 -8.716 1.00 0.00 N ATOM 783 CA MET B 1 -16.667 -9.853 -9.481 1.00 0.00 C ATOM 784 C MET B 1 -15.296 -9.868 -8.811 1.00 0.00 C ATOM 785 O MET B 1 -15.155 -9.471 -7.655 1.00 0.00 O ATOM 786 CB MET B 1 -17.203 -8.423 -9.563 1.00 0.00 C ATOM 787 CG MET B 1 -16.309 -7.477 -10.348 1.00 0.00 C ATOM 788 SD MET B 1 -16.957 -5.796 -10.402 1.00 0.00 S ATOM 789 CE MET B 1 -16.980 -5.385 -8.658 1.00 0.00 C ATOM 0 H1 MET B 1 -18.330 -11.098 -9.372 1.00 0.00 H new ATOM 0 H2 MET B 1 -17.140 -11.428 -8.207 1.00 0.00 H new ATOM 0 H3 MET B 1 -18.145 -10.070 -8.033 1.00 0.00 H new ATOM 0 HA MET B 1 -16.546 -10.268 -10.482 1.00 0.00 H new ATOM 0 HB2 MET B 1 -18.191 -8.441 -10.024 1.00 0.00 H new ATOM 0 HB3 MET B 1 -17.330 -8.034 -8.553 1.00 0.00 H new ATOM 0 HG2 MET B 1 -15.316 -7.465 -9.899 1.00 0.00 H new ATOM 0 HG3 MET B 1 -16.195 -7.851 -11.365 1.00 0.00 H new ATOM 0 HE1 MET B 1 -16.973 -4.301 -8.539 1.00 0.00 H new ATOM 0 HE2 MET B 1 -17.880 -5.794 -8.200 1.00 0.00 H new ATOM 0 HE3 MET B 1 -16.101 -5.809 -8.173 1.00 0.00 H new ATOM 801 N GLN B 2 -14.289 -10.329 -9.545 1.00 0.00 N ATOM 802 CA GLN B 2 -12.930 -10.397 -9.021 1.00 0.00 C ATOM 803 C GLN B 2 -12.349 -9.005 -8.795 1.00 0.00 C ATOM 804 O GLN B 2 -12.599 -8.080 -9.571 1.00 0.00 O ATOM 805 CB GLN B 2 -12.028 -11.196 -9.963 1.00 0.00 C ATOM 806 CG GLN B 2 -12.020 -10.679 -11.392 1.00 0.00 C ATOM 807 CD GLN B 2 -11.078 -11.457 -12.299 1.00 0.00 C ATOM 808 OE1 GLN B 2 -10.314 -12.381 -11.722 1.00 0.00 O flip ATOM 809 NE2 GLN B 2 -11.032 -11.224 -13.506 1.00 0.00 N flip ATOM 0 H GLN B 2 -14.388 -10.661 -10.504 1.00 0.00 H new ATOM 0 HA GLN B 2 -12.975 -10.906 -8.058 1.00 0.00 H new ATOM 0 HB2 GLN B 2 -11.009 -11.180 -9.575 1.00 0.00 H new ATOM 0 HB3 GLN B 2 -12.352 -12.237 -9.965 1.00 0.00 H new ATOM 0 HG2 GLN B 2 -13.031 -10.730 -11.797 1.00 0.00 H new ATOM 0 HG3 GLN B 2 -11.730 -9.628 -11.391 1.00 0.00 H new ATOM 0 HE21 GLN B 2 -11.635 -10.507 -13.910 1.00 0.00 H new ATOM 0 HE22 GLN B 2 -10.391 -11.748 -14.102 1.00 0.00 H new ATOM 818 N ILE B 3 -11.571 -8.869 -7.726 1.00 0.00 N ATOM 819 CA ILE B 3 -10.946 -7.598 -7.384 1.00 0.00 C ATOM 820 C ILE B 3 -9.511 -7.809 -6.912 1.00 0.00 C ATOM 821 O ILE B 3 -9.224 -8.742 -6.161 1.00 0.00 O ATOM 822 CB ILE B 3 -11.735 -6.858 -6.284 1.00 0.00 C ATOM 823 CG1 ILE B 3 -11.794 -7.702 -5.007 1.00 0.00 C ATOM 824 CG2 ILE B 3 -13.138 -6.528 -6.773 1.00 0.00 C ATOM 825 CD1 ILE B 3 -12.462 -7.001 -3.844 1.00 0.00 C ATOM 0 H ILE B 3 -11.358 -9.628 -7.079 1.00 0.00 H new ATOM 0 HA ILE B 3 -10.946 -6.989 -8.288 1.00 0.00 H new ATOM 0 HB ILE B 3 -11.220 -5.925 -6.054 1.00 0.00 H new ATOM 0 HG12 ILE B 3 -12.330 -8.627 -5.218 1.00 0.00 H new ATOM 0 HG13 ILE B 3 -10.780 -7.980 -4.719 1.00 0.00 H new ATOM 0 HG21 ILE B 3 -13.684 -6.006 -5.987 1.00 0.00 H new ATOM 0 HG22 ILE B 3 -13.075 -5.891 -7.656 1.00 0.00 H new ATOM 0 HG23 ILE B 3 -13.661 -7.450 -7.027 1.00 0.00 H new ATOM 0 HD11 ILE B 3 -12.466 -7.660 -2.976 1.00 0.00 H new ATOM 0 HD12 ILE B 3 -11.914 -6.090 -3.605 1.00 0.00 H new ATOM 0 HD13 ILE B 3 -13.488 -6.748 -4.112 1.00 0.00 H new ATOM 837 N PHE B 4 -8.612 -6.938 -7.363 1.00 0.00 N ATOM 838 CA PHE B 4 -7.206 -7.030 -6.993 1.00 0.00 C ATOM 839 C PHE B 4 -6.966 -6.440 -5.606 1.00 0.00 C ATOM 840 O PHE B 4 -7.517 -5.394 -5.264 1.00 0.00 O ATOM 841 CB PHE B 4 -6.330 -6.313 -8.026 1.00 0.00 C ATOM 842 CG PHE B 4 -6.269 -6.999 -9.365 1.00 0.00 C ATOM 843 CD1 PHE B 4 -7.429 -7.376 -10.026 1.00 0.00 C ATOM 844 CD2 PHE B 4 -5.047 -7.266 -9.961 1.00 0.00 C ATOM 845 CE1 PHE B 4 -7.369 -8.005 -11.255 1.00 0.00 C ATOM 846 CE2 PHE B 4 -4.981 -7.896 -11.190 1.00 0.00 C ATOM 847 CZ PHE B 4 -6.144 -8.265 -11.837 1.00 0.00 C ATOM 0 H PHE B 4 -8.834 -6.161 -7.985 1.00 0.00 H new ATOM 0 HA PHE B 4 -6.934 -8.085 -6.971 1.00 0.00 H new ATOM 0 HB2 PHE B 4 -6.708 -5.300 -8.166 1.00 0.00 H new ATOM 0 HB3 PHE B 4 -5.319 -6.224 -7.629 1.00 0.00 H new ATOM 0 HD1 PHE B 4 -8.390 -7.176 -9.575 1.00 0.00 H new ATOM 0 HD2 PHE B 4 -4.135 -6.978 -9.459 1.00 0.00 H new ATOM 0 HE1 PHE B 4 -8.279 -8.293 -11.760 1.00 0.00 H new ATOM 0 HE2 PHE B 4 -4.022 -8.099 -11.643 1.00 0.00 H new ATOM 0 HZ PHE B 4 -6.095 -8.757 -12.797 1.00 0.00 H new ATOM 857 N VAL B 5 -6.138 -7.115 -4.813 1.00 0.00 N ATOM 858 CA VAL B 5 -5.823 -6.653 -3.467 1.00 0.00 C ATOM 859 C VAL B 5 -4.317 -6.698 -3.220 1.00 0.00 C ATOM 860 O VAL B 5 -3.808 -7.606 -2.562 1.00 0.00 O ATOM 861 CB VAL B 5 -6.542 -7.500 -2.397 1.00 0.00 C ATOM 862 CG1 VAL B 5 -6.282 -6.942 -1.006 1.00 0.00 C ATOM 863 CG2 VAL B 5 -8.034 -7.563 -2.683 1.00 0.00 C ATOM 0 H VAL B 5 -5.674 -7.983 -5.080 1.00 0.00 H new ATOM 0 HA VAL B 5 -6.173 -5.624 -3.389 1.00 0.00 H new ATOM 0 HB VAL B 5 -6.143 -8.514 -2.435 1.00 0.00 H new ATOM 0 HG11 VAL B 5 -6.798 -7.554 -0.266 1.00 0.00 H new ATOM 0 HG12 VAL B 5 -5.211 -6.954 -0.803 1.00 0.00 H new ATOM 0 HG13 VAL B 5 -6.650 -5.918 -0.950 1.00 0.00 H new ATOM 0 HG21 VAL B 5 -8.526 -8.164 -1.919 1.00 0.00 H new ATOM 0 HG22 VAL B 5 -8.449 -6.555 -2.675 1.00 0.00 H new ATOM 0 HG23 VAL B 5 -8.198 -8.015 -3.661 1.00 0.00 H new ATOM 873 N LYS B 6 -3.613 -5.707 -3.758 1.00 0.00 N ATOM 874 CA LYS B 6 -2.166 -5.619 -3.606 1.00 0.00 C ATOM 875 C LYS B 6 -1.797 -5.028 -2.250 1.00 0.00 C ATOM 876 O LYS B 6 -2.363 -4.022 -1.829 1.00 0.00 O ATOM 877 CB LYS B 6 -1.572 -4.767 -4.731 1.00 0.00 C ATOM 878 CG LYS B 6 -0.053 -4.706 -4.714 1.00 0.00 C ATOM 879 CD LYS B 6 0.486 -3.824 -5.833 1.00 0.00 C ATOM 880 CE LYS B 6 0.124 -2.364 -5.623 1.00 0.00 C ATOM 881 NZ LYS B 6 0.671 -1.496 -6.702 1.00 0.00 N ATOM 0 H LYS B 6 -4.024 -4.951 -4.305 1.00 0.00 H new ATOM 0 HA LYS B 6 -1.753 -6.626 -3.663 1.00 0.00 H new ATOM 0 HB2 LYS B 6 -1.900 -5.168 -5.690 1.00 0.00 H new ATOM 0 HB3 LYS B 6 -1.968 -3.754 -4.656 1.00 0.00 H new ATOM 0 HG2 LYS B 6 0.285 -4.321 -3.752 1.00 0.00 H new ATOM 0 HG3 LYS B 6 0.353 -5.712 -4.816 1.00 0.00 H new ATOM 0 HD2 LYS B 6 1.570 -3.926 -5.886 1.00 0.00 H new ATOM 0 HD3 LYS B 6 0.087 -4.164 -6.788 1.00 0.00 H new ATOM 0 HE2 LYS B 6 -0.960 -2.260 -5.588 1.00 0.00 H new ATOM 0 HE3 LYS B 6 0.507 -2.030 -4.659 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 1.400 -0.868 -6.306 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 1.092 -2.090 -7.445 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 -0.096 -0.923 -7.109 1.00 0.00 H new ATOM 895 N THR B 7 -0.844 -5.659 -1.572 1.00 0.00 N ATOM 896 CA THR B 7 -0.400 -5.189 -0.266 1.00 0.00 C ATOM 897 C THR B 7 0.380 -3.881 -0.392 1.00 0.00 C ATOM 898 O THR B 7 0.142 -3.095 -1.311 1.00 0.00 O ATOM 899 CB THR B 7 0.480 -6.244 0.433 1.00 0.00 C ATOM 900 OG1 THR B 7 1.647 -6.508 -0.355 1.00 0.00 O ATOM 901 CG2 THR B 7 -0.294 -7.536 0.649 1.00 0.00 C ATOM 0 H THR B 7 -0.365 -6.496 -1.905 1.00 0.00 H new ATOM 0 HA THR B 7 -1.291 -5.016 0.337 1.00 0.00 H new ATOM 0 HB THR B 7 0.779 -5.850 1.405 1.00 0.00 H new ATOM 0 HG1 THR B 7 2.202 -7.178 0.096 1.00 0.00 H new ATOM 0 HG21 THR B 7 0.347 -8.266 1.144 1.00 0.00 H new ATOM 0 HG22 THR B 7 -1.166 -7.338 1.272 1.00 0.00 H new ATOM 0 HG23 THR B 7 -0.618 -7.931 -0.314 1.00 0.00 H new ATOM 909 N LEU B 8 1.316 -3.652 0.526 1.00 0.00 N ATOM 910 CA LEU B 8 2.127 -2.441 0.500 1.00 0.00 C ATOM 911 C LEU B 8 3.543 -2.760 0.020 1.00 0.00 C ATOM 912 O LEU B 8 4.526 -2.257 0.565 1.00 0.00 O ATOM 913 CB LEU B 8 2.169 -1.797 1.891 1.00 0.00 C ATOM 914 CG LEU B 8 2.800 -0.401 1.950 1.00 0.00 C ATOM 915 CD1 LEU B 8 1.966 0.599 1.163 1.00 0.00 C ATOM 916 CD2 LEU B 8 2.961 0.053 3.393 1.00 0.00 C ATOM 0 H LEU B 8 1.530 -4.288 1.294 1.00 0.00 H new ATOM 0 HA LEU B 8 1.674 -1.735 -0.196 1.00 0.00 H new ATOM 0 HB2 LEU B 8 1.151 -1.733 2.274 1.00 0.00 H new ATOM 0 HB3 LEU B 8 2.721 -2.456 2.561 1.00 0.00 H new ATOM 0 HG LEU B 8 3.789 -0.453 1.495 1.00 0.00 H new ATOM 0 HD11 LEU B 8 2.431 1.583 1.218 1.00 0.00 H new ATOM 0 HD12 LEU B 8 1.906 0.283 0.121 1.00 0.00 H new ATOM 0 HD13 LEU B 8 0.962 0.648 1.585 1.00 0.00 H new ATOM 0 HD21 LEU B 8 3.410 1.046 3.414 1.00 0.00 H new ATOM 0 HD22 LEU B 8 1.984 0.087 3.875 1.00 0.00 H new ATOM 0 HD23 LEU B 8 3.604 -0.648 3.925 1.00 0.00 H new ATOM 928 N THR B 9 3.639 -3.606 -1.005 1.00 0.00 N ATOM 929 CA THR B 9 4.932 -3.998 -1.559 1.00 0.00 C ATOM 930 C THR B 9 4.825 -4.319 -3.047 1.00 0.00 C ATOM 931 O THR B 9 5.568 -3.772 -3.862 1.00 0.00 O ATOM 932 CB THR B 9 5.512 -5.231 -0.835 1.00 0.00 C ATOM 933 OG1 THR B 9 4.595 -6.327 -0.925 1.00 0.00 O ATOM 934 CG2 THR B 9 5.805 -4.928 0.627 1.00 0.00 C ATOM 0 H THR B 9 2.836 -4.032 -1.468 1.00 0.00 H new ATOM 0 HA THR B 9 5.598 -3.147 -1.414 1.00 0.00 H new ATOM 0 HB THR B 9 6.450 -5.496 -1.323 1.00 0.00 H new ATOM 0 HG1 THR B 9 3.728 -6.059 -0.555 1.00 0.00 H new ATOM 0 HG21 THR B 9 6.212 -5.817 1.108 1.00 0.00 H new ATOM 0 HG22 THR B 9 6.529 -4.116 0.692 1.00 0.00 H new ATOM 0 HG23 THR B 9 4.884 -4.634 1.129 1.00 0.00 H new ATOM 942 N GLY B 10 3.902 -5.210 -3.394 1.00 0.00 N ATOM 943 CA GLY B 10 3.725 -5.587 -4.785 1.00 0.00 C ATOM 944 C GLY B 10 2.770 -6.752 -4.959 1.00 0.00 C ATOM 945 O GLY B 10 1.960 -6.763 -5.887 1.00 0.00 O ATOM 0 H GLY B 10 3.275 -5.677 -2.739 1.00 0.00 H new ATOM 0 HA2 GLY B 10 3.351 -4.730 -5.345 1.00 0.00 H new ATOM 0 HA3 GLY B 10 4.693 -5.849 -5.212 1.00 0.00 H new ATOM 949 N LYS B 11 2.869 -7.737 -4.069 1.00 0.00 N ATOM 950 CA LYS B 11 2.009 -8.916 -4.130 1.00 0.00 C ATOM 951 C LYS B 11 0.539 -8.513 -4.194 1.00 0.00 C ATOM 952 O LYS B 11 0.079 -7.684 -3.410 1.00 0.00 O ATOM 953 CB LYS B 11 2.255 -9.810 -2.913 1.00 0.00 C ATOM 954 CG LYS B 11 1.374 -11.049 -2.873 1.00 0.00 C ATOM 955 CD LYS B 11 1.660 -11.894 -1.641 1.00 0.00 C ATOM 956 CE LYS B 11 0.761 -13.119 -1.581 1.00 0.00 C ATOM 957 NZ LYS B 11 0.942 -14.001 -2.768 1.00 0.00 N ATOM 0 H LYS B 11 3.536 -7.742 -3.297 1.00 0.00 H new ATOM 0 HA LYS B 11 2.253 -9.471 -5.036 1.00 0.00 H new ATOM 0 HB2 LYS B 11 3.300 -10.119 -2.906 1.00 0.00 H new ATOM 0 HB3 LYS B 11 2.088 -9.228 -2.007 1.00 0.00 H new ATOM 0 HG2 LYS B 11 0.325 -10.752 -2.877 1.00 0.00 H new ATOM 0 HG3 LYS B 11 1.540 -11.644 -3.771 1.00 0.00 H new ATOM 0 HD2 LYS B 11 2.704 -12.208 -1.649 1.00 0.00 H new ATOM 0 HD3 LYS B 11 1.515 -11.291 -0.744 1.00 0.00 H new ATOM 0 HE2 LYS B 11 0.977 -13.683 -0.674 1.00 0.00 H new ATOM 0 HE3 LYS B 11 -0.280 -12.802 -1.520 1.00 0.00 H new ATOM 0 HZ1 LYS B 11 0.458 -14.907 -2.604 1.00 0.00 H new ATOM 0 HZ2 LYS B 11 0.539 -13.540 -3.608 1.00 0.00 H new ATOM 0 HZ3 LYS B 11 1.956 -14.173 -2.921 1.00 0.00 H new ATOM 971 N THR B 12 -0.192 -9.103 -5.136 1.00 0.00 N ATOM 972 CA THR B 12 -1.608 -8.801 -5.304 1.00 0.00 C ATOM 973 C THR B 12 -2.461 -10.055 -5.148 1.00 0.00 C ATOM 974 O THR B 12 -2.129 -11.116 -5.680 1.00 0.00 O ATOM 975 CB THR B 12 -1.887 -8.175 -6.683 1.00 0.00 C ATOM 976 OG1 THR B 12 -1.089 -6.998 -6.858 1.00 0.00 O ATOM 977 CG2 THR B 12 -3.359 -7.816 -6.831 1.00 0.00 C ATOM 0 H THR B 12 0.174 -9.792 -5.793 1.00 0.00 H new ATOM 0 HA THR B 12 -1.873 -8.085 -4.526 1.00 0.00 H new ATOM 0 HB THR B 12 -1.629 -8.909 -7.446 1.00 0.00 H new ATOM 0 HG1 THR B 12 -1.271 -6.607 -7.738 1.00 0.00 H new ATOM 0 HG21 THR B 12 -3.529 -7.376 -7.814 1.00 0.00 H new ATOM 0 HG22 THR B 12 -3.965 -8.716 -6.727 1.00 0.00 H new ATOM 0 HG23 THR B 12 -3.638 -7.099 -6.059 1.00 0.00 H new ATOM 985 N ILE B 13 -3.562 -9.926 -4.416 1.00 0.00 N ATOM 986 CA ILE B 13 -4.465 -11.046 -4.190 1.00 0.00 C ATOM 987 C ILE B 13 -5.841 -10.768 -4.785 1.00 0.00 C ATOM 988 O ILE B 13 -6.497 -9.790 -4.424 1.00 0.00 O ATOM 989 CB ILE B 13 -4.619 -11.339 -2.685 1.00 0.00 C ATOM 990 CG1 ILE B 13 -3.247 -11.604 -2.060 1.00 0.00 C ATOM 991 CG2 ILE B 13 -5.552 -12.523 -2.460 1.00 0.00 C ATOM 992 CD1 ILE B 13 -3.286 -11.790 -0.559 1.00 0.00 C ATOM 0 H ILE B 13 -3.850 -9.056 -3.969 1.00 0.00 H new ATOM 0 HA ILE B 13 -4.029 -11.915 -4.682 1.00 0.00 H new ATOM 0 HB ILE B 13 -5.060 -10.467 -2.202 1.00 0.00 H new ATOM 0 HG12 ILE B 13 -2.816 -12.495 -2.516 1.00 0.00 H new ATOM 0 HG13 ILE B 13 -2.583 -10.772 -2.297 1.00 0.00 H new ATOM 0 HG21 ILE B 13 -5.647 -12.713 -1.391 1.00 0.00 H new ATOM 0 HG22 ILE B 13 -6.533 -12.297 -2.877 1.00 0.00 H new ATOM 0 HG23 ILE B 13 -5.144 -13.406 -2.951 1.00 0.00 H new ATOM 0 HD11 ILE B 13 -2.277 -11.973 -0.189 1.00 0.00 H new ATOM 0 HD12 ILE B 13 -3.686 -10.891 -0.091 1.00 0.00 H new ATOM 0 HD13 ILE B 13 -3.923 -12.640 -0.314 1.00 0.00 H new ATOM 1004 N THR B 14 -6.273 -11.634 -5.694 1.00 0.00 N ATOM 1005 CA THR B 14 -7.574 -11.485 -6.330 1.00 0.00 C ATOM 1006 C THR B 14 -8.658 -12.178 -5.516 1.00 0.00 C ATOM 1007 O THR B 14 -8.424 -13.238 -4.934 1.00 0.00 O ATOM 1008 CB THR B 14 -7.582 -12.055 -7.758 1.00 0.00 C ATOM 1009 OG1 THR B 14 -6.584 -11.403 -8.554 1.00 0.00 O ATOM 1010 CG2 THR B 14 -8.949 -11.865 -8.391 1.00 0.00 C ATOM 0 H THR B 14 -5.741 -12.446 -6.006 1.00 0.00 H new ATOM 0 HA THR B 14 -7.777 -10.415 -6.379 1.00 0.00 H new ATOM 0 HB THR B 14 -7.359 -13.121 -7.709 1.00 0.00 H new ATOM 0 HG1 THR B 14 -6.595 -11.774 -9.461 1.00 0.00 H new ATOM 0 HG21 THR B 14 -8.942 -12.273 -9.402 1.00 0.00 H new ATOM 0 HG22 THR B 14 -9.701 -12.384 -7.796 1.00 0.00 H new ATOM 0 HG23 THR B 14 -9.187 -10.802 -8.430 1.00 0.00 H new ATOM 1018 N LEU B 15 -9.841 -11.573 -5.469 1.00 0.00 N ATOM 1019 CA LEU B 15 -10.953 -12.137 -4.712 1.00 0.00 C ATOM 1020 C LEU B 15 -12.290 -11.807 -5.371 1.00 0.00 C ATOM 1021 O LEU B 15 -12.524 -10.677 -5.796 1.00 0.00 O ATOM 1022 CB LEU B 15 -10.940 -11.586 -3.292 1.00 0.00 C ATOM 1023 CG LEU B 15 -9.609 -11.730 -2.558 1.00 0.00 C ATOM 1024 CD1 LEU B 15 -9.472 -10.653 -1.502 1.00 0.00 C ATOM 1025 CD2 LEU B 15 -9.490 -13.112 -1.933 1.00 0.00 C ATOM 0 H LEU B 15 -10.054 -10.696 -5.944 1.00 0.00 H new ATOM 0 HA LEU B 15 -10.835 -13.220 -4.691 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -11.207 -10.530 -3.325 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -11.713 -12.092 -2.714 1.00 0.00 H new ATOM 0 HG LEU B 15 -8.800 -11.612 -3.279 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -8.518 -10.768 -0.987 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -9.513 -9.672 -1.975 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -10.286 -10.743 -0.783 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -8.535 -13.196 -1.414 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -10.303 -13.261 -1.223 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -9.547 -13.871 -2.714 1.00 0.00 H new ATOM 1037 N GLU B 16 -13.161 -12.805 -5.443 1.00 0.00 N ATOM 1038 CA GLU B 16 -14.481 -12.630 -6.042 1.00 0.00 C ATOM 1039 C GLU B 16 -15.452 -12.013 -5.040 1.00 0.00 C ATOM 1040 O GLU B 16 -15.571 -12.482 -3.908 1.00 0.00 O ATOM 1041 CB GLU B 16 -15.020 -13.976 -6.533 1.00 0.00 C ATOM 1042 CG GLU B 16 -16.385 -13.883 -7.196 1.00 0.00 C ATOM 1043 CD GLU B 16 -16.894 -15.230 -7.667 1.00 0.00 C ATOM 1044 OE1 GLU B 16 -17.052 -16.135 -6.820 1.00 0.00 O ATOM 1045 OE2 GLU B 16 -17.134 -15.382 -8.884 1.00 0.00 O ATOM 0 H GLU B 16 -12.978 -13.746 -5.094 1.00 0.00 H new ATOM 0 HA GLU B 16 -14.385 -11.953 -6.891 1.00 0.00 H new ATOM 0 HB2 GLU B 16 -14.311 -14.405 -7.241 1.00 0.00 H new ATOM 0 HB3 GLU B 16 -15.082 -14.662 -5.688 1.00 0.00 H new ATOM 0 HG2 GLU B 16 -17.099 -13.454 -6.492 1.00 0.00 H new ATOM 0 HG3 GLU B 16 -16.327 -13.203 -8.046 1.00 0.00 H new ATOM 1052 N VAL B 17 -16.147 -10.961 -5.468 1.00 0.00 N ATOM 1053 CA VAL B 17 -17.113 -10.272 -4.615 1.00 0.00 C ATOM 1054 C VAL B 17 -18.215 -9.631 -5.451 1.00 0.00 C ATOM 1055 O VAL B 17 -17.963 -9.118 -6.542 1.00 0.00 O ATOM 1056 CB VAL B 17 -16.447 -9.177 -3.753 1.00 0.00 C ATOM 1057 CG1 VAL B 17 -15.443 -9.781 -2.784 1.00 0.00 C ATOM 1058 CG2 VAL B 17 -15.781 -8.136 -4.638 1.00 0.00 C ATOM 0 H VAL B 17 -16.058 -10.566 -6.404 1.00 0.00 H new ATOM 0 HA VAL B 17 -17.538 -11.028 -3.955 1.00 0.00 H new ATOM 0 HB VAL B 17 -17.224 -8.686 -3.167 1.00 0.00 H new ATOM 0 HG11 VAL B 17 -14.989 -8.988 -2.190 1.00 0.00 H new ATOM 0 HG12 VAL B 17 -15.952 -10.484 -2.124 1.00 0.00 H new ATOM 0 HG13 VAL B 17 -14.668 -10.305 -3.343 1.00 0.00 H new ATOM 0 HG21 VAL B 17 -15.317 -7.372 -4.015 1.00 0.00 H new ATOM 0 HG22 VAL B 17 -15.019 -8.615 -5.253 1.00 0.00 H new ATOM 0 HG23 VAL B 17 -16.529 -7.674 -5.282 1.00 0.00 H new ATOM 1068 N GLU B 18 -19.436 -9.662 -4.932 1.00 0.00 N ATOM 1069 CA GLU B 18 -20.582 -9.086 -5.626 1.00 0.00 C ATOM 1070 C GLU B 18 -20.460 -7.572 -5.737 1.00 0.00 C ATOM 1071 O GLU B 18 -19.915 -6.915 -4.852 1.00 0.00 O ATOM 1072 CB GLU B 18 -21.879 -9.442 -4.900 1.00 0.00 C ATOM 1073 CG GLU B 18 -22.382 -10.852 -5.173 1.00 0.00 C ATOM 1074 CD GLU B 18 -21.406 -11.934 -4.743 1.00 0.00 C ATOM 1075 OE1 GLU B 18 -20.319 -12.034 -5.350 1.00 0.00 O ATOM 1076 OE2 GLU B 18 -21.731 -12.681 -3.797 1.00 0.00 O ATOM 0 H GLU B 18 -19.659 -10.081 -4.029 1.00 0.00 H new ATOM 0 HA GLU B 18 -20.602 -9.506 -6.632 1.00 0.00 H new ATOM 0 HB2 GLU B 18 -21.725 -9.325 -3.827 1.00 0.00 H new ATOM 0 HB3 GLU B 18 -22.652 -8.730 -5.191 1.00 0.00 H new ATOM 0 HG2 GLU B 18 -23.329 -10.999 -4.653 1.00 0.00 H new ATOM 0 HG3 GLU B 18 -22.584 -10.958 -6.239 1.00 0.00 H new ATOM 1083 N SER B 19 -20.980 -7.021 -6.830 1.00 0.00 N ATOM 1084 CA SER B 19 -20.939 -5.582 -7.047 1.00 0.00 C ATOM 1085 C SER B 19 -21.745 -4.861 -5.972 1.00 0.00 C ATOM 1086 O SER B 19 -21.290 -3.871 -5.400 1.00 0.00 O ATOM 1087 CB SER B 19 -21.486 -5.231 -8.432 1.00 0.00 C ATOM 1088 OG SER B 19 -21.448 -3.832 -8.655 1.00 0.00 O ATOM 0 H SER B 19 -21.433 -7.549 -7.576 1.00 0.00 H new ATOM 0 HA SER B 19 -19.900 -5.257 -6.989 1.00 0.00 H new ATOM 0 HB2 SER B 19 -20.901 -5.741 -9.198 1.00 0.00 H new ATOM 0 HB3 SER B 19 -22.511 -5.589 -8.523 1.00 0.00 H new ATOM 0 HG SER B 19 -21.801 -3.633 -9.547 1.00 0.00 H new ATOM 1094 N SER B 20 -22.942 -5.373 -5.698 1.00 0.00 N ATOM 1095 CA SER B 20 -23.810 -4.783 -4.684 1.00 0.00 C ATOM 1096 C SER B 20 -23.494 -5.354 -3.304 1.00 0.00 C ATOM 1097 O SER B 20 -24.348 -5.370 -2.416 1.00 0.00 O ATOM 1098 CB SER B 20 -25.279 -5.031 -5.033 1.00 0.00 C ATOM 1099 OG SER B 20 -26.140 -4.419 -4.088 1.00 0.00 O ATOM 0 H SER B 20 -23.332 -6.193 -6.163 1.00 0.00 H new ATOM 0 HA SER B 20 -23.629 -3.708 -4.662 1.00 0.00 H new ATOM 0 HB2 SER B 20 -25.490 -4.640 -6.028 1.00 0.00 H new ATOM 0 HB3 SER B 20 -25.472 -6.103 -5.064 1.00 0.00 H new ATOM 0 HG SER B 20 -25.769 -4.530 -3.188 1.00 0.00 H new ATOM 1105 N ASP B 21 -22.260 -5.818 -3.129 1.00 0.00 N ATOM 1106 CA ASP B 21 -21.826 -6.385 -1.857 1.00 0.00 C ATOM 1107 C ASP B 21 -21.541 -5.271 -0.847 1.00 0.00 C ATOM 1108 O ASP B 21 -22.398 -4.422 -0.600 1.00 0.00 O ATOM 1109 CB ASP B 21 -20.591 -7.270 -2.068 1.00 0.00 C ATOM 1110 CG ASP B 21 -20.190 -8.028 -0.818 1.00 0.00 C ATOM 1111 OD1 ASP B 21 -21.023 -8.798 -0.295 1.00 0.00 O ATOM 1112 OD2 ASP B 21 -19.040 -7.853 -0.365 1.00 0.00 O ATOM 0 H ASP B 21 -21.542 -5.812 -3.854 1.00 0.00 H new ATOM 0 HA ASP B 21 -22.625 -7.007 -1.454 1.00 0.00 H new ATOM 0 HB2 ASP B 21 -20.792 -7.981 -2.869 1.00 0.00 H new ATOM 0 HB3 ASP B 21 -19.756 -6.649 -2.394 1.00 0.00 H new ATOM 1117 N THR B 22 -20.341 -5.274 -0.265 1.00 0.00 N ATOM 1118 CA THR B 22 -19.963 -4.261 0.712 1.00 0.00 C ATOM 1119 C THR B 22 -18.502 -4.415 1.125 1.00 0.00 C ATOM 1120 O THR B 22 -18.010 -5.532 1.290 1.00 0.00 O ATOM 1121 CB THR B 22 -20.852 -4.331 1.967 1.00 0.00 C ATOM 1122 OG1 THR B 22 -20.386 -3.403 2.952 1.00 0.00 O ATOM 1123 CG2 THR B 22 -20.862 -5.735 2.552 1.00 0.00 C ATOM 0 H THR B 22 -19.617 -5.967 -0.455 1.00 0.00 H new ATOM 0 HA THR B 22 -20.102 -3.292 0.233 1.00 0.00 H new ATOM 0 HB THR B 22 -21.869 -4.071 1.675 1.00 0.00 H new ATOM 0 HG1 THR B 22 -20.295 -3.859 3.814 1.00 0.00 H new ATOM 0 HG21 THR B 22 -21.498 -5.756 3.437 1.00 0.00 H new ATOM 0 HG22 THR B 22 -21.249 -6.435 1.811 1.00 0.00 H new ATOM 0 HG23 THR B 22 -19.847 -6.022 2.827 1.00 0.00 H new ATOM 1131 N ILE B 23 -17.813 -3.286 1.287 1.00 0.00 N ATOM 1132 CA ILE B 23 -16.409 -3.290 1.681 1.00 0.00 C ATOM 1133 C ILE B 23 -16.205 -4.135 2.934 1.00 0.00 C ATOM 1134 O ILE B 23 -15.211 -4.851 3.056 1.00 0.00 O ATOM 1135 CB ILE B 23 -15.887 -1.861 1.948 1.00 0.00 C ATOM 1136 CG1 ILE B 23 -16.057 -0.983 0.703 1.00 0.00 C ATOM 1137 CG2 ILE B 23 -14.428 -1.896 2.384 1.00 0.00 C ATOM 1138 CD1 ILE B 23 -15.294 -1.480 -0.508 1.00 0.00 C ATOM 0 H ILE B 23 -18.208 -2.355 1.150 1.00 0.00 H new ATOM 0 HA ILE B 23 -15.846 -3.718 0.851 1.00 0.00 H new ATOM 0 HB ILE B 23 -16.476 -1.427 2.756 1.00 0.00 H new ATOM 0 HG12 ILE B 23 -17.116 -0.924 0.454 1.00 0.00 H new ATOM 0 HG13 ILE B 23 -15.728 0.030 0.937 1.00 0.00 H new ATOM 0 HG21 ILE B 23 -14.079 -0.880 2.567 1.00 0.00 H new ATOM 0 HG22 ILE B 23 -14.335 -2.482 3.298 1.00 0.00 H new ATOM 0 HG23 ILE B 23 -13.824 -2.351 1.599 1.00 0.00 H new ATOM 0 HD11 ILE B 23 -15.465 -0.806 -1.347 1.00 0.00 H new ATOM 0 HD12 ILE B 23 -14.229 -1.512 -0.279 1.00 0.00 H new ATOM 0 HD13 ILE B 23 -15.639 -2.480 -0.770 1.00 0.00 H new ATOM 1150 N ASP B 24 -17.157 -4.048 3.859 1.00 0.00 N ATOM 1151 CA ASP B 24 -17.087 -4.808 5.101 1.00 0.00 C ATOM 1152 C ASP B 24 -16.949 -6.299 4.807 1.00 0.00 C ATOM 1153 O ASP B 24 -16.097 -6.982 5.378 1.00 0.00 O ATOM 1154 CB ASP B 24 -18.337 -4.555 5.948 1.00 0.00 C ATOM 1155 CG ASP B 24 -18.289 -5.262 7.291 1.00 0.00 C ATOM 1156 OD1 ASP B 24 -17.264 -5.910 7.589 1.00 0.00 O ATOM 1157 OD2 ASP B 24 -19.277 -5.161 8.047 1.00 0.00 O ATOM 0 H ASP B 24 -17.985 -3.459 3.771 1.00 0.00 H new ATOM 0 HA ASP B 24 -16.210 -4.479 5.658 1.00 0.00 H new ATOM 0 HB2 ASP B 24 -18.450 -3.483 6.110 1.00 0.00 H new ATOM 0 HB3 ASP B 24 -19.217 -4.888 5.398 1.00 0.00 H new ATOM 1162 N ASN B 25 -17.793 -6.796 3.906 1.00 0.00 N ATOM 1163 CA ASN B 25 -17.768 -8.204 3.528 1.00 0.00 C ATOM 1164 C ASN B 25 -16.435 -8.557 2.877 1.00 0.00 C ATOM 1165 O ASN B 25 -15.874 -9.624 3.130 1.00 0.00 O ATOM 1166 CB ASN B 25 -18.915 -8.520 2.568 1.00 0.00 C ATOM 1167 CG ASN B 25 -19.043 -10.006 2.287 1.00 0.00 C ATOM 1168 OD1 ASN B 25 -18.904 -10.384 1.023 1.00 0.00 O flip ATOM 1169 ND2 ASN B 25 -19.263 -10.804 3.199 1.00 0.00 N flip ATOM 0 H ASN B 25 -18.502 -6.243 3.425 1.00 0.00 H new ATOM 0 HA ASN B 25 -17.889 -8.803 4.431 1.00 0.00 H new ATOM 0 HB2 ASN B 25 -19.850 -8.151 2.990 1.00 0.00 H new ATOM 0 HB3 ASN B 25 -18.757 -7.988 1.630 1.00 0.00 H new ATOM 0 HD21 ASN B 25 -19.363 -10.469 4.157 1.00 0.00 H new ATOM 0 HD22 ASN B 25 -19.345 -11.800 2.996 1.00 0.00 H new ATOM 1176 N VAL B 26 -15.935 -7.652 2.038 1.00 0.00 N ATOM 1177 CA VAL B 26 -14.666 -7.865 1.353 1.00 0.00 C ATOM 1178 C VAL B 26 -13.548 -8.107 2.359 1.00 0.00 C ATOM 1179 O VAL B 26 -12.777 -9.057 2.228 1.00 0.00 O ATOM 1180 CB VAL B 26 -14.294 -6.664 0.462 1.00 0.00 C ATOM 1181 CG1 VAL B 26 -12.998 -6.931 -0.288 1.00 0.00 C ATOM 1182 CG2 VAL B 26 -15.423 -6.346 -0.507 1.00 0.00 C ATOM 0 H VAL B 26 -16.390 -6.766 1.818 1.00 0.00 H new ATOM 0 HA VAL B 26 -14.786 -8.744 0.720 1.00 0.00 H new ATOM 0 HB VAL B 26 -14.141 -5.796 1.104 1.00 0.00 H new ATOM 0 HG11 VAL B 26 -12.754 -6.070 -0.911 1.00 0.00 H new ATOM 0 HG12 VAL B 26 -12.193 -7.102 0.426 1.00 0.00 H new ATOM 0 HG13 VAL B 26 -13.117 -7.813 -0.918 1.00 0.00 H new ATOM 0 HG21 VAL B 26 -15.141 -5.495 -1.127 1.00 0.00 H new ATOM 0 HG22 VAL B 26 -15.612 -7.211 -1.142 1.00 0.00 H new ATOM 0 HG23 VAL B 26 -16.326 -6.103 0.053 1.00 0.00 H new ATOM 1192 N LYS B 27 -13.478 -7.250 3.373 1.00 0.00 N ATOM 1193 CA LYS B 27 -12.467 -7.382 4.412 1.00 0.00 C ATOM 1194 C LYS B 27 -12.650 -8.695 5.160 1.00 0.00 C ATOM 1195 O LYS B 27 -11.677 -9.349 5.530 1.00 0.00 O ATOM 1196 CB LYS B 27 -12.532 -6.204 5.385 1.00 0.00 C ATOM 1197 CG LYS B 27 -12.147 -4.877 4.753 1.00 0.00 C ATOM 1198 CD LYS B 27 -12.192 -3.742 5.763 1.00 0.00 C ATOM 1199 CE LYS B 27 -11.710 -2.436 5.153 1.00 0.00 C ATOM 1200 NZ LYS B 27 -11.739 -1.319 6.137 1.00 0.00 N ATOM 0 H LYS B 27 -14.109 -6.458 3.496 1.00 0.00 H new ATOM 0 HA LYS B 27 -11.485 -7.380 3.938 1.00 0.00 H new ATOM 0 HB2 LYS B 27 -13.543 -6.128 5.785 1.00 0.00 H new ATOM 0 HB3 LYS B 27 -11.870 -6.402 6.228 1.00 0.00 H new ATOM 0 HG2 LYS B 27 -11.144 -4.951 4.333 1.00 0.00 H new ATOM 0 HG3 LYS B 27 -12.823 -4.657 3.927 1.00 0.00 H new ATOM 0 HD2 LYS B 27 -13.211 -3.620 6.130 1.00 0.00 H new ATOM 0 HD3 LYS B 27 -11.572 -3.994 6.623 1.00 0.00 H new ATOM 0 HE2 LYS B 27 -10.694 -2.563 4.778 1.00 0.00 H new ATOM 0 HE3 LYS B 27 -12.336 -2.182 4.297 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 -11.704 -0.411 5.632 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 -12.615 -1.371 6.695 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 -10.919 -1.394 6.772 1.00 0.00 H new ATOM 1214 N SER B 28 -13.908 -9.078 5.371 1.00 0.00 N ATOM 1215 CA SER B 28 -14.219 -10.321 6.065 1.00 0.00 C ATOM 1216 C SER B 28 -13.603 -11.509 5.331 1.00 0.00 C ATOM 1217 O SER B 28 -13.002 -12.390 5.947 1.00 0.00 O ATOM 1218 CB SER B 28 -15.732 -10.501 6.184 1.00 0.00 C ATOM 1219 OG SER B 28 -16.053 -11.734 6.802 1.00 0.00 O ATOM 0 H SER B 28 -14.725 -8.545 5.071 1.00 0.00 H new ATOM 0 HA SER B 28 -13.794 -10.272 7.067 1.00 0.00 H new ATOM 0 HB2 SER B 28 -16.154 -9.680 6.763 1.00 0.00 H new ATOM 0 HB3 SER B 28 -16.185 -10.459 5.194 1.00 0.00 H new ATOM 0 HG SER B 28 -17.027 -11.823 6.867 1.00 0.00 H new ATOM 1225 N LYS B 29 -13.749 -11.518 4.008 1.00 0.00 N ATOM 1226 CA LYS B 29 -13.196 -12.589 3.187 1.00 0.00 C ATOM 1227 C LYS B 29 -11.673 -12.592 3.267 1.00 0.00 C ATOM 1228 O LYS B 29 -11.051 -13.645 3.413 1.00 0.00 O ATOM 1229 CB LYS B 29 -13.647 -12.441 1.731 1.00 0.00 C ATOM 1230 CG LYS B 29 -15.153 -12.547 1.548 1.00 0.00 C ATOM 1231 CD LYS B 29 -15.539 -12.529 0.077 1.00 0.00 C ATOM 1232 CE LYS B 29 -17.041 -12.668 -0.107 1.00 0.00 C ATOM 1233 NZ LYS B 29 -17.428 -12.675 -1.545 1.00 0.00 N ATOM 0 H LYS B 29 -14.245 -10.797 3.484 1.00 0.00 H new ATOM 0 HA LYS B 29 -13.568 -13.539 3.571 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -13.310 -11.477 1.351 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -13.161 -13.209 1.129 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -15.512 -13.467 2.008 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -15.642 -11.721 2.064 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -15.200 -11.598 -0.378 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -15.031 -13.341 -0.443 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -17.380 -13.590 0.364 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -17.546 -11.846 0.401 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -18.042 -11.860 -1.743 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -16.573 -12.616 -2.135 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -17.939 -13.554 -1.763 1.00 0.00 H new ATOM 1247 N ILE B 30 -11.079 -11.405 3.180 1.00 0.00 N ATOM 1248 CA ILE B 30 -9.630 -11.265 3.255 1.00 0.00 C ATOM 1249 C ILE B 30 -9.111 -11.770 4.597 1.00 0.00 C ATOM 1250 O ILE B 30 -8.050 -12.387 4.677 1.00 0.00 O ATOM 1251 CB ILE B 30 -9.197 -9.795 3.065 1.00 0.00 C ATOM 1252 CG1 ILE B 30 -9.684 -9.268 1.711 1.00 0.00 C ATOM 1253 CG2 ILE B 30 -7.683 -9.670 3.181 1.00 0.00 C ATOM 1254 CD1 ILE B 30 -9.369 -7.805 1.471 1.00 0.00 C ATOM 0 H ILE B 30 -11.581 -10.525 3.057 1.00 0.00 H new ATOM 0 HA ILE B 30 -9.204 -11.864 2.450 1.00 0.00 H new ATOM 0 HB ILE B 30 -9.651 -9.191 3.851 1.00 0.00 H new ATOM 0 HG12 ILE B 30 -9.231 -9.862 0.917 1.00 0.00 H new ATOM 0 HG13 ILE B 30 -10.762 -9.413 1.642 1.00 0.00 H new ATOM 0 HG21 ILE B 30 -7.392 -8.628 3.045 1.00 0.00 H new ATOM 0 HG22 ILE B 30 -7.364 -10.010 4.166 1.00 0.00 H new ATOM 0 HG23 ILE B 30 -7.208 -10.282 2.415 1.00 0.00 H new ATOM 0 HD11 ILE B 30 -9.745 -7.508 0.492 1.00 0.00 H new ATOM 0 HD12 ILE B 30 -9.845 -7.199 2.242 1.00 0.00 H new ATOM 0 HD13 ILE B 30 -8.290 -7.655 1.506 1.00 0.00 H new ATOM 1266 N GLN B 31 -9.877 -11.500 5.650 1.00 0.00 N ATOM 1267 CA GLN B 31 -9.513 -11.918 6.999 1.00 0.00 C ATOM 1268 C GLN B 31 -9.492 -13.439 7.120 1.00 0.00 C ATOM 1269 O GLN B 31 -8.559 -14.014 7.675 1.00 0.00 O ATOM 1270 CB GLN B 31 -10.498 -11.335 8.013 1.00 0.00 C ATOM 1271 CG GLN B 31 -10.249 -11.799 9.437 1.00 0.00 C ATOM 1272 CD GLN B 31 -11.238 -11.212 10.423 1.00 0.00 C ATOM 1273 OE1 GLN B 31 -11.371 -9.994 10.535 1.00 0.00 O ATOM 1274 NE2 GLN B 31 -11.935 -12.077 11.150 1.00 0.00 N ATOM 0 H GLN B 31 -10.759 -10.990 5.593 1.00 0.00 H new ATOM 0 HA GLN B 31 -8.511 -11.543 7.207 1.00 0.00 H new ATOM 0 HB2 GLN B 31 -10.441 -10.247 7.979 1.00 0.00 H new ATOM 0 HB3 GLN B 31 -11.512 -11.610 7.722 1.00 0.00 H new ATOM 0 HG2 GLN B 31 -10.305 -12.887 9.476 1.00 0.00 H new ATOM 0 HG3 GLN B 31 -9.238 -11.522 9.734 1.00 0.00 H new ATOM 0 HE21 GLN B 31 -11.793 -13.079 11.025 1.00 0.00 H new ATOM 0 HE22 GLN B 31 -12.612 -11.739 11.834 1.00 0.00 H new ATOM 1283 N ASP B 32 -10.534 -14.082 6.612 1.00 0.00 N ATOM 1284 CA ASP B 32 -10.644 -15.536 6.673 1.00 0.00 C ATOM 1285 C ASP B 32 -9.555 -16.218 5.845 1.00 0.00 C ATOM 1286 O ASP B 32 -8.961 -17.206 6.277 1.00 0.00 O ATOM 1287 CB ASP B 32 -12.027 -15.977 6.186 1.00 0.00 C ATOM 1288 CG ASP B 32 -12.234 -17.476 6.292 1.00 0.00 C ATOM 1289 OD1 ASP B 32 -11.493 -18.229 5.626 1.00 0.00 O ATOM 1290 OD2 ASP B 32 -13.139 -17.896 7.042 1.00 0.00 O ATOM 0 H ASP B 32 -11.318 -13.620 6.152 1.00 0.00 H new ATOM 0 HA ASP B 32 -10.511 -15.838 7.712 1.00 0.00 H new ATOM 0 HB2 ASP B 32 -12.793 -15.466 6.769 1.00 0.00 H new ATOM 0 HB3 ASP B 32 -12.158 -15.669 5.149 1.00 0.00 H new ATOM 1295 N LYS B 33 -9.314 -15.697 4.646 1.00 0.00 N ATOM 1296 CA LYS B 33 -8.313 -16.267 3.744 1.00 0.00 C ATOM 1297 C LYS B 33 -6.886 -16.023 4.236 1.00 0.00 C ATOM 1298 O LYS B 33 -6.142 -16.968 4.501 1.00 0.00 O ATOM 1299 CB LYS B 33 -8.484 -15.678 2.340 1.00 0.00 C ATOM 1300 CG LYS B 33 -7.466 -16.186 1.330 1.00 0.00 C ATOM 1301 CD LYS B 33 -7.721 -15.609 -0.053 1.00 0.00 C ATOM 1302 CE LYS B 33 -6.732 -16.149 -1.074 1.00 0.00 C ATOM 1303 NZ LYS B 33 -6.973 -15.585 -2.431 1.00 0.00 N ATOM 0 H LYS B 33 -9.798 -14.880 4.274 1.00 0.00 H new ATOM 0 HA LYS B 33 -8.472 -17.345 3.719 1.00 0.00 H new ATOM 0 HB2 LYS B 33 -9.486 -15.910 1.979 1.00 0.00 H new ATOM 0 HB3 LYS B 33 -8.410 -14.592 2.401 1.00 0.00 H new ATOM 0 HG2 LYS B 33 -6.461 -15.919 1.658 1.00 0.00 H new ATOM 0 HG3 LYS B 33 -7.508 -17.274 1.285 1.00 0.00 H new ATOM 0 HD2 LYS B 33 -8.737 -15.849 -0.367 1.00 0.00 H new ATOM 0 HD3 LYS B 33 -7.648 -14.522 -0.014 1.00 0.00 H new ATOM 0 HE2 LYS B 33 -5.717 -15.911 -0.757 1.00 0.00 H new ATOM 0 HE3 LYS B 33 -6.808 -17.236 -1.114 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 -6.105 -15.662 -2.998 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 -7.738 -16.114 -2.896 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 -7.245 -14.585 -2.348 1.00 0.00 H new ATOM 1317 N GLU B 34 -6.503 -14.753 4.333 1.00 0.00 N ATOM 1318 CA GLU B 34 -5.155 -14.386 4.766 1.00 0.00 C ATOM 1319 C GLU B 34 -4.949 -14.617 6.259 1.00 0.00 C ATOM 1320 O GLU B 34 -3.898 -15.100 6.679 1.00 0.00 O ATOM 1321 CB GLU B 34 -4.869 -12.923 4.427 1.00 0.00 C ATOM 1322 CG GLU B 34 -4.954 -12.617 2.942 1.00 0.00 C ATOM 1323 CD GLU B 34 -4.016 -13.476 2.117 1.00 0.00 C ATOM 1324 OE1 GLU B 34 -2.790 -13.407 2.347 1.00 0.00 O ATOM 1325 OE2 GLU B 34 -4.507 -14.217 1.240 1.00 0.00 O ATOM 0 H GLU B 34 -7.106 -13.959 4.118 1.00 0.00 H new ATOM 0 HA GLU B 34 -4.458 -15.030 4.230 1.00 0.00 H new ATOM 0 HB2 GLU B 34 -5.577 -12.289 4.961 1.00 0.00 H new ATOM 0 HB3 GLU B 34 -3.874 -12.663 4.787 1.00 0.00 H new ATOM 0 HG2 GLU B 34 -5.978 -12.772 2.601 1.00 0.00 H new ATOM 0 HG3 GLU B 34 -4.718 -11.566 2.777 1.00 0.00 H new ATOM 1332 N GLY B 35 -5.943 -14.252 7.059 1.00 0.00 N ATOM 1333 CA GLY B 35 -5.830 -14.413 8.497 1.00 0.00 C ATOM 1334 C GLY B 35 -5.139 -13.231 9.146 1.00 0.00 C ATOM 1335 O GLY B 35 -4.253 -13.401 9.984 1.00 0.00 O ATOM 0 H GLY B 35 -6.824 -13.848 6.739 1.00 0.00 H new ATOM 0 HA2 GLY B 35 -6.824 -14.534 8.928 1.00 0.00 H new ATOM 0 HA3 GLY B 35 -5.274 -15.324 8.718 1.00 0.00 H new ATOM 1339 N ILE B 36 -5.546 -12.028 8.749 1.00 0.00 N ATOM 1340 CA ILE B 36 -4.967 -10.802 9.284 1.00 0.00 C ATOM 1341 C ILE B 36 -6.053 -9.899 9.868 1.00 0.00 C ATOM 1342 O ILE B 36 -7.094 -9.691 9.244 1.00 0.00 O ATOM 1343 CB ILE B 36 -4.204 -10.027 8.190 1.00 0.00 C ATOM 1344 CG1 ILE B 36 -3.110 -10.908 7.579 1.00 0.00 C ATOM 1345 CG2 ILE B 36 -3.606 -8.748 8.761 1.00 0.00 C ATOM 1346 CD1 ILE B 36 -2.372 -10.251 6.432 1.00 0.00 C ATOM 0 H ILE B 36 -6.278 -11.877 8.055 1.00 0.00 H new ATOM 0 HA ILE B 36 -4.271 -11.088 10.072 1.00 0.00 H new ATOM 0 HB ILE B 36 -4.907 -9.754 7.403 1.00 0.00 H new ATOM 0 HG12 ILE B 36 -2.393 -11.174 8.356 1.00 0.00 H new ATOM 0 HG13 ILE B 36 -3.558 -11.837 7.227 1.00 0.00 H new ATOM 0 HG21 ILE B 36 -3.071 -8.214 7.975 1.00 0.00 H new ATOM 0 HG22 ILE B 36 -4.404 -8.116 9.151 1.00 0.00 H new ATOM 0 HG23 ILE B 36 -2.914 -8.997 9.566 1.00 0.00 H new ATOM 0 HD11 ILE B 36 -1.613 -10.933 6.050 1.00 0.00 H new ATOM 0 HD12 ILE B 36 -3.077 -10.010 5.636 1.00 0.00 H new ATOM 0 HD13 ILE B 36 -1.894 -9.336 6.783 1.00 0.00 H new ATOM 1358 N PRO B 37 -5.829 -9.347 11.078 1.00 0.00 N ATOM 1359 CA PRO B 37 -6.803 -8.465 11.734 1.00 0.00 C ATOM 1360 C PRO B 37 -7.214 -7.291 10.846 1.00 0.00 C ATOM 1361 O PRO B 37 -6.367 -6.646 10.228 1.00 0.00 O ATOM 1362 CB PRO B 37 -6.056 -7.962 12.971 1.00 0.00 C ATOM 1363 CG PRO B 37 -5.027 -9.002 13.244 1.00 0.00 C ATOM 1364 CD PRO B 37 -4.618 -9.539 11.901 1.00 0.00 C ATOM 0 HA PRO B 37 -7.732 -8.987 11.965 1.00 0.00 H new ATOM 0 HB2 PRO B 37 -5.597 -6.990 12.788 1.00 0.00 H new ATOM 0 HB3 PRO B 37 -6.731 -7.841 13.818 1.00 0.00 H new ATOM 0 HG2 PRO B 37 -4.173 -8.577 13.772 1.00 0.00 H new ATOM 0 HG3 PRO B 37 -5.430 -9.794 13.875 1.00 0.00 H new ATOM 0 HD2 PRO B 37 -3.764 -8.997 11.494 1.00 0.00 H new ATOM 0 HD3 PRO B 37 -4.332 -10.589 11.957 1.00 0.00 H new ATOM 1372 N PRO B 38 -8.527 -6.999 10.771 1.00 0.00 N ATOM 1373 CA PRO B 38 -9.048 -5.897 9.953 1.00 0.00 C ATOM 1374 C PRO B 38 -8.590 -4.531 10.453 1.00 0.00 C ATOM 1375 O PRO B 38 -8.258 -3.648 9.662 1.00 0.00 O ATOM 1376 CB PRO B 38 -10.568 -6.030 10.092 1.00 0.00 C ATOM 1377 CG PRO B 38 -10.770 -6.776 11.364 1.00 0.00 C ATOM 1378 CD PRO B 38 -9.604 -7.716 11.476 1.00 0.00 C ATOM 0 HA PRO B 38 -8.693 -5.958 8.924 1.00 0.00 H new ATOM 0 HB2 PRO B 38 -11.049 -5.052 10.126 1.00 0.00 H new ATOM 0 HB3 PRO B 38 -10.997 -6.567 9.246 1.00 0.00 H new ATOM 0 HG2 PRO B 38 -10.807 -6.096 12.215 1.00 0.00 H new ATOM 0 HG3 PRO B 38 -11.713 -7.322 11.351 1.00 0.00 H new ATOM 0 HD2 PRO B 38 -9.344 -7.913 12.516 1.00 0.00 H new ATOM 0 HD3 PRO B 38 -9.817 -8.679 11.013 1.00 0.00 H new ATOM 1386 N ASP B 39 -8.579 -4.365 11.771 1.00 0.00 N ATOM 1387 CA ASP B 39 -8.168 -3.107 12.382 1.00 0.00 C ATOM 1388 C ASP B 39 -6.753 -2.721 11.957 1.00 0.00 C ATOM 1389 O ASP B 39 -6.467 -1.549 11.717 1.00 0.00 O ATOM 1390 CB ASP B 39 -8.245 -3.210 13.906 1.00 0.00 C ATOM 1391 CG ASP B 39 -9.650 -3.495 14.395 1.00 0.00 C ATOM 1392 OD1 ASP B 39 -10.551 -2.673 14.124 1.00 0.00 O ATOM 1393 OD2 ASP B 39 -9.852 -4.541 15.046 1.00 0.00 O ATOM 0 H ASP B 39 -8.851 -5.088 12.438 1.00 0.00 H new ATOM 0 HA ASP B 39 -8.850 -2.329 12.039 1.00 0.00 H new ATOM 0 HB2 ASP B 39 -7.577 -4.000 14.248 1.00 0.00 H new ATOM 0 HB3 ASP B 39 -7.891 -2.279 14.349 1.00 0.00 H new ATOM 1398 N GLN B 40 -5.872 -3.713 11.874 1.00 0.00 N ATOM 1399 CA GLN B 40 -4.485 -3.475 11.486 1.00 0.00 C ATOM 1400 C GLN B 40 -4.365 -3.198 9.987 1.00 0.00 C ATOM 1401 O GLN B 40 -3.780 -2.196 9.579 1.00 0.00 O ATOM 1402 CB GLN B 40 -3.622 -4.682 11.862 1.00 0.00 C ATOM 1403 CG GLN B 40 -2.147 -4.508 11.536 1.00 0.00 C ATOM 1404 CD GLN B 40 -1.313 -5.732 11.881 1.00 0.00 C ATOM 1405 OE1 GLN B 40 -1.963 -6.787 12.366 1.00 0.00 O flip ATOM 1406 NE2 GLN B 40 -0.093 -5.730 11.709 1.00 0.00 N flip ATOM 0 H GLN B 40 -6.093 -4.689 12.070 1.00 0.00 H new ATOM 0 HA GLN B 40 -4.133 -2.594 12.022 1.00 0.00 H new ATOM 0 HB2 GLN B 40 -3.728 -4.874 12.930 1.00 0.00 H new ATOM 0 HB3 GLN B 40 -3.998 -5.562 11.341 1.00 0.00 H new ATOM 0 HG2 GLN B 40 -2.039 -4.289 10.474 1.00 0.00 H new ATOM 0 HG3 GLN B 40 -1.760 -3.646 12.080 1.00 0.00 H new ATOM 0 HE21 GLN B 40 0.368 -4.901 11.335 1.00 0.00 H new ATOM 0 HE22 GLN B 40 0.456 -6.558 11.941 1.00 0.00 H new ATOM 1415 N GLN B 41 -4.914 -4.094 9.171 1.00 0.00 N ATOM 1416 CA GLN B 41 -4.856 -3.944 7.719 1.00 0.00 C ATOM 1417 C GLN B 41 -5.728 -2.786 7.243 1.00 0.00 C ATOM 1418 O GLN B 41 -6.886 -2.661 7.640 1.00 0.00 O ATOM 1419 CB GLN B 41 -5.289 -5.240 7.029 1.00 0.00 C ATOM 1420 CG GLN B 41 -6.718 -5.653 7.344 1.00 0.00 C ATOM 1421 CD GLN B 41 -7.141 -6.930 6.637 1.00 0.00 C ATOM 1422 OE1 GLN B 41 -6.235 -7.517 5.860 1.00 0.00 O flip ATOM 1423 NE2 GLN B 41 -8.275 -7.386 6.788 1.00 0.00 N flip ATOM 0 H GLN B 41 -5.403 -4.930 9.489 1.00 0.00 H new ATOM 0 HA GLN B 41 -3.822 -3.724 7.452 1.00 0.00 H new ATOM 0 HB2 GLN B 41 -5.184 -5.119 5.951 1.00 0.00 H new ATOM 0 HB3 GLN B 41 -4.614 -6.043 7.327 1.00 0.00 H new ATOM 0 HG2 GLN B 41 -6.821 -5.790 8.420 1.00 0.00 H new ATOM 0 HG3 GLN B 41 -7.394 -4.847 7.059 1.00 0.00 H new ATOM 0 HE21 GLN B 41 -8.941 -6.906 7.393 1.00 0.00 H new ATOM 0 HE22 GLN B 41 -8.548 -8.244 6.308 1.00 0.00 H new ATOM 1432 N ARG B 42 -5.161 -1.947 6.382 1.00 0.00 N ATOM 1433 CA ARG B 42 -5.881 -0.801 5.838 1.00 0.00 C ATOM 1434 C ARG B 42 -6.154 -0.986 4.350 1.00 0.00 C ATOM 1435 O ARG B 42 -5.229 -0.978 3.537 1.00 0.00 O ATOM 1436 CB ARG B 42 -5.072 0.481 6.055 1.00 0.00 C ATOM 1437 CG ARG B 42 -4.988 0.923 7.508 1.00 0.00 C ATOM 1438 CD ARG B 42 -6.195 1.760 7.912 1.00 0.00 C ATOM 1439 NE ARG B 42 -7.459 1.049 7.734 1.00 0.00 N ATOM 1440 CZ ARG B 42 -7.803 -0.035 8.422 1.00 0.00 C ATOM 1441 NH1 ARG B 42 -6.987 -0.527 9.342 1.00 0.00 N ATOM 1442 NH2 ARG B 42 -8.969 -0.624 8.194 1.00 0.00 N ATOM 0 H ARG B 42 -4.203 -2.040 6.045 1.00 0.00 H new ATOM 0 HA ARG B 42 -6.834 -0.722 6.360 1.00 0.00 H new ATOM 0 HB2 ARG B 42 -4.062 0.330 5.673 1.00 0.00 H new ATOM 0 HB3 ARG B 42 -5.518 1.283 5.467 1.00 0.00 H new ATOM 0 HG2 ARG B 42 -4.921 0.046 8.152 1.00 0.00 H new ATOM 0 HG3 ARG B 42 -4.077 1.501 7.661 1.00 0.00 H new ATOM 0 HD2 ARG B 42 -6.093 2.056 8.956 1.00 0.00 H new ATOM 0 HD3 ARG B 42 -6.211 2.676 7.321 1.00 0.00 H new ATOM 0 HE ARG B 42 -8.116 1.406 7.041 1.00 0.00 H new ATOM 0 HH11 ARG B 42 -6.092 -0.074 9.524 1.00 0.00 H new ATOM 0 HH12 ARG B 42 -7.254 -1.359 9.868 1.00 0.00 H new ATOM 0 HH21 ARG B 42 -9.603 -0.245 7.490 1.00 0.00 H new ATOM 0 HH22 ARG B 42 -9.232 -1.456 8.722 1.00 0.00 H new ATOM 1456 N LEU B 43 -7.427 -1.138 3.996 1.00 0.00 N ATOM 1457 CA LEU B 43 -7.811 -1.306 2.599 1.00 0.00 C ATOM 1458 C LEU B 43 -7.932 0.056 1.924 1.00 0.00 C ATOM 1459 O LEU B 43 -9.024 0.613 1.817 1.00 0.00 O ATOM 1460 CB LEU B 43 -9.136 -2.069 2.497 1.00 0.00 C ATOM 1461 CG LEU B 43 -9.598 -2.386 1.072 1.00 0.00 C ATOM 1462 CD1 LEU B 43 -8.587 -3.276 0.364 1.00 0.00 C ATOM 1463 CD2 LEU B 43 -10.968 -3.046 1.092 1.00 0.00 C ATOM 0 H LEU B 43 -8.206 -1.148 4.654 1.00 0.00 H new ATOM 0 HA LEU B 43 -7.040 -1.884 2.091 1.00 0.00 H new ATOM 0 HB2 LEU B 43 -9.041 -3.005 3.048 1.00 0.00 H new ATOM 0 HB3 LEU B 43 -9.912 -1.485 2.992 1.00 0.00 H new ATOM 0 HG LEU B 43 -9.673 -1.449 0.520 1.00 0.00 H new ATOM 0 HD11 LEU B 43 -8.935 -3.489 -0.647 1.00 0.00 H new ATOM 0 HD12 LEU B 43 -7.624 -2.767 0.317 1.00 0.00 H new ATOM 0 HD13 LEU B 43 -8.477 -4.210 0.914 1.00 0.00 H new ATOM 0 HD21 LEU B 43 -11.281 -3.265 0.071 1.00 0.00 H new ATOM 0 HD22 LEU B 43 -10.917 -3.973 1.662 1.00 0.00 H new ATOM 0 HD23 LEU B 43 -11.689 -2.374 1.557 1.00 0.00 H new ATOM 1475 N ILE B 44 -6.799 0.595 1.490 1.00 0.00 N ATOM 1476 CA ILE B 44 -6.768 1.901 0.845 1.00 0.00 C ATOM 1477 C ILE B 44 -7.135 1.818 -0.632 1.00 0.00 C ATOM 1478 O ILE B 44 -6.762 0.878 -1.338 1.00 0.00 O ATOM 1479 CB ILE B 44 -5.387 2.569 0.995 1.00 0.00 C ATOM 1480 CG1 ILE B 44 -5.072 2.786 2.474 1.00 0.00 C ATOM 1481 CG2 ILE B 44 -5.352 3.896 0.246 1.00 0.00 C ATOM 1482 CD1 ILE B 44 -3.626 3.126 2.737 1.00 0.00 C ATOM 0 H ILE B 44 -5.887 0.146 1.574 1.00 0.00 H new ATOM 0 HA ILE B 44 -7.516 2.512 1.351 1.00 0.00 H new ATOM 0 HB ILE B 44 -4.631 1.912 0.565 1.00 0.00 H new ATOM 0 HG12 ILE B 44 -5.701 3.589 2.857 1.00 0.00 H new ATOM 0 HG13 ILE B 44 -5.332 1.885 3.029 1.00 0.00 H new ATOM 0 HG21 ILE B 44 -4.370 4.354 0.363 1.00 0.00 H new ATOM 0 HG22 ILE B 44 -5.548 3.722 -0.812 1.00 0.00 H new ATOM 0 HG23 ILE B 44 -6.113 4.563 0.651 1.00 0.00 H new ATOM 0 HD11 ILE B 44 -3.474 3.267 3.807 1.00 0.00 H new ATOM 0 HD12 ILE B 44 -2.991 2.313 2.384 1.00 0.00 H new ATOM 0 HD13 ILE B 44 -3.366 4.044 2.210 1.00 0.00 H new ATOM 1494 N PHE B 45 -7.870 2.828 -1.079 1.00 0.00 N ATOM 1495 CA PHE B 45 -8.316 2.933 -2.458 1.00 0.00 C ATOM 1496 C PHE B 45 -8.727 4.371 -2.736 1.00 0.00 C ATOM 1497 O PHE B 45 -9.349 5.014 -1.890 1.00 0.00 O ATOM 1498 CB PHE B 45 -9.495 1.993 -2.706 1.00 0.00 C ATOM 1499 CG PHE B 45 -9.999 2.001 -4.122 1.00 0.00 C ATOM 1500 CD1 PHE B 45 -9.174 1.627 -5.172 1.00 0.00 C ATOM 1501 CD2 PHE B 45 -11.302 2.379 -4.401 1.00 0.00 C ATOM 1502 CE1 PHE B 45 -9.641 1.631 -6.472 1.00 0.00 C ATOM 1503 CE2 PHE B 45 -11.773 2.386 -5.700 1.00 0.00 C ATOM 1504 CZ PHE B 45 -10.942 2.011 -6.736 1.00 0.00 C ATOM 0 H PHE B 45 -8.175 3.602 -0.489 1.00 0.00 H new ATOM 0 HA PHE B 45 -7.503 2.648 -3.126 1.00 0.00 H new ATOM 0 HB2 PHE B 45 -9.198 0.978 -2.443 1.00 0.00 H new ATOM 0 HB3 PHE B 45 -10.312 2.269 -2.039 1.00 0.00 H new ATOM 0 HD1 PHE B 45 -8.155 1.329 -4.971 1.00 0.00 H new ATOM 0 HD2 PHE B 45 -11.957 2.672 -3.594 1.00 0.00 H new ATOM 0 HE1 PHE B 45 -8.989 1.337 -7.281 1.00 0.00 H new ATOM 0 HE2 PHE B 45 -12.791 2.685 -5.904 1.00 0.00 H new ATOM 0 HZ PHE B 45 -11.309 2.015 -7.752 1.00 0.00 H new ATOM 1514 N ALA B 46 -8.357 4.888 -3.902 1.00 0.00 N ATOM 1515 CA ALA B 46 -8.679 6.266 -4.247 1.00 0.00 C ATOM 1516 C ALA B 46 -8.064 7.209 -3.220 1.00 0.00 C ATOM 1517 O ALA B 46 -8.645 8.239 -2.876 1.00 0.00 O ATOM 1518 CB ALA B 46 -10.189 6.456 -4.303 1.00 0.00 C ATOM 0 H ALA B 46 -7.839 4.379 -4.618 1.00 0.00 H new ATOM 0 HA ALA B 46 -8.266 6.494 -5.230 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -10.416 7.490 -4.562 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -10.612 5.792 -5.057 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -10.621 6.222 -3.330 1.00 0.00 H new ATOM 1524 N GLY B 47 -6.887 6.834 -2.725 1.00 0.00 N ATOM 1525 CA GLY B 47 -6.208 7.635 -1.725 1.00 0.00 C ATOM 1526 C GLY B 47 -7.051 7.821 -0.480 1.00 0.00 C ATOM 1527 O GLY B 47 -6.974 8.857 0.181 1.00 0.00 O ATOM 0 H GLY B 47 -6.391 5.986 -3.001 1.00 0.00 H new ATOM 0 HA2 GLY B 47 -5.265 7.158 -1.457 1.00 0.00 H new ATOM 0 HA3 GLY B 47 -5.963 8.610 -2.146 1.00 0.00 H new ATOM 1531 N LYS B 48 -7.863 6.811 -0.166 1.00 0.00 N ATOM 1532 CA LYS B 48 -8.741 6.857 1.003 1.00 0.00 C ATOM 1533 C LYS B 48 -9.065 5.449 1.495 1.00 0.00 C ATOM 1534 O LYS B 48 -9.342 4.554 0.698 1.00 0.00 O ATOM 1535 CB LYS B 48 -10.056 7.560 0.658 1.00 0.00 C ATOM 1536 CG LYS B 48 -9.899 8.977 0.133 1.00 0.00 C ATOM 1537 CD LYS B 48 -9.684 9.969 1.261 1.00 0.00 C ATOM 1538 CE LYS B 48 -10.907 10.046 2.158 1.00 0.00 C ATOM 1539 NZ LYS B 48 -10.719 11.009 3.278 1.00 0.00 N ATOM 0 H LYS B 48 -7.931 5.949 -0.707 1.00 0.00 H new ATOM 0 HA LYS B 48 -8.217 7.407 1.784 1.00 0.00 H new ATOM 0 HB2 LYS B 48 -10.584 6.967 -0.088 1.00 0.00 H new ATOM 0 HB3 LYS B 48 -10.684 7.584 1.549 1.00 0.00 H new ATOM 0 HG2 LYS B 48 -9.055 9.019 -0.556 1.00 0.00 H new ATOM 0 HG3 LYS B 48 -10.787 9.256 -0.434 1.00 0.00 H new ATOM 0 HD2 LYS B 48 -8.815 9.674 1.849 1.00 0.00 H new ATOM 0 HD3 LYS B 48 -9.469 10.954 0.848 1.00 0.00 H new ATOM 0 HE2 LYS B 48 -11.772 10.343 1.566 1.00 0.00 H new ATOM 0 HE3 LYS B 48 -11.122 9.057 2.563 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 -11.571 11.018 3.875 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 -9.899 10.721 3.849 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 -10.556 11.961 2.893 1.00 0.00 H new ATOM 1553 N GLN B 49 -9.052 5.263 2.810 1.00 0.00 N ATOM 1554 CA GLN B 49 -9.370 3.965 3.391 1.00 0.00 C ATOM 1555 C GLN B 49 -10.850 3.647 3.196 1.00 0.00 C ATOM 1556 O GLN B 49 -11.718 4.428 3.588 1.00 0.00 O ATOM 1557 CB GLN B 49 -9.016 3.944 4.880 1.00 0.00 C ATOM 1558 CG GLN B 49 -9.661 5.069 5.674 1.00 0.00 C ATOM 1559 CD GLN B 49 -9.313 5.019 7.149 1.00 0.00 C ATOM 1560 OE1 GLN B 49 -8.140 5.054 7.525 1.00 0.00 O ATOM 1561 NE2 GLN B 49 -10.334 4.941 7.996 1.00 0.00 N ATOM 0 H GLN B 49 -8.826 5.989 3.490 1.00 0.00 H new ATOM 0 HA GLN B 49 -8.778 3.204 2.883 1.00 0.00 H new ATOM 0 HB2 GLN B 49 -9.323 2.988 5.305 1.00 0.00 H new ATOM 0 HB3 GLN B 49 -7.933 4.008 4.989 1.00 0.00 H new ATOM 0 HG2 GLN B 49 -9.343 6.027 5.262 1.00 0.00 H new ATOM 0 HG3 GLN B 49 -10.744 5.015 5.558 1.00 0.00 H new ATOM 0 HE21 GLN B 49 -11.290 4.914 7.641 1.00 0.00 H new ATOM 0 HE22 GLN B 49 -10.162 4.908 9.001 1.00 0.00 H new ATOM 1570 N LEU B 50 -11.133 2.503 2.584 1.00 0.00 N ATOM 1571 CA LEU B 50 -12.512 2.095 2.337 1.00 0.00 C ATOM 1572 C LEU B 50 -13.211 1.745 3.647 1.00 0.00 C ATOM 1573 O LEU B 50 -12.728 0.912 4.414 1.00 0.00 O ATOM 1574 CB LEU B 50 -12.550 0.900 1.381 1.00 0.00 C ATOM 1575 CG LEU B 50 -11.753 1.076 0.085 1.00 0.00 C ATOM 1576 CD1 LEU B 50 -11.888 -0.153 -0.801 1.00 0.00 C ATOM 1577 CD2 LEU B 50 -12.210 2.316 -0.666 1.00 0.00 C ATOM 0 H LEU B 50 -10.430 1.844 2.251 1.00 0.00 H new ATOM 0 HA LEU B 50 -13.040 2.930 1.876 1.00 0.00 H new ATOM 0 HB2 LEU B 50 -12.171 0.023 1.906 1.00 0.00 H new ATOM 0 HB3 LEU B 50 -13.589 0.693 1.125 1.00 0.00 H new ATOM 0 HG LEU B 50 -10.703 1.200 0.351 1.00 0.00 H new ATOM 0 HD11 LEU B 50 -11.314 -0.007 -1.716 1.00 0.00 H new ATOM 0 HD12 LEU B 50 -11.509 -1.027 -0.271 1.00 0.00 H new ATOM 0 HD13 LEU B 50 -12.937 -0.307 -1.052 1.00 0.00 H new ATOM 0 HD21 LEU B 50 -11.630 2.420 -1.583 1.00 0.00 H new ATOM 0 HD22 LEU B 50 -13.267 2.222 -0.914 1.00 0.00 H new ATOM 0 HD23 LEU B 50 -12.061 3.196 -0.040 1.00 0.00 H new ATOM 1589 N GLU B 51 -14.345 2.389 3.897 1.00 0.00 N ATOM 1590 CA GLU B 51 -15.109 2.155 5.107 1.00 0.00 C ATOM 1591 C GLU B 51 -15.990 0.918 4.979 1.00 0.00 C ATOM 1592 O GLU B 51 -16.583 0.667 3.930 1.00 0.00 O ATOM 1593 CB GLU B 51 -15.960 3.379 5.429 1.00 0.00 C ATOM 1594 CG GLU B 51 -16.931 3.143 6.563 1.00 0.00 C ATOM 1595 CD GLU B 51 -17.848 4.325 6.806 1.00 0.00 C ATOM 1596 OE1 GLU B 51 -18.599 4.694 5.878 1.00 0.00 O ATOM 1597 OE2 GLU B 51 -17.817 4.882 7.923 1.00 0.00 O ATOM 0 H GLU B 51 -14.754 3.081 3.270 1.00 0.00 H new ATOM 0 HA GLU B 51 -14.407 1.980 5.922 1.00 0.00 H new ATOM 0 HB2 GLU B 51 -15.306 4.212 5.686 1.00 0.00 H new ATOM 0 HB3 GLU B 51 -16.515 3.673 4.538 1.00 0.00 H new ATOM 0 HG2 GLU B 51 -17.533 2.261 6.343 1.00 0.00 H new ATOM 0 HG3 GLU B 51 -16.373 2.928 7.474 1.00 0.00 H new ATOM 1604 N ASP B 52 -16.069 0.153 6.060 1.00 0.00 N ATOM 1605 CA ASP B 52 -16.876 -1.062 6.089 1.00 0.00 C ATOM 1606 C ASP B 52 -18.362 -0.731 5.979 1.00 0.00 C ATOM 1607 O ASP B 52 -18.830 0.256 6.550 1.00 0.00 O ATOM 1608 CB ASP B 52 -16.614 -1.843 7.378 1.00 0.00 C ATOM 1609 CG ASP B 52 -15.151 -2.196 7.558 1.00 0.00 C ATOM 1610 OD1 ASP B 52 -14.322 -1.265 7.634 1.00 0.00 O ATOM 1611 OD2 ASP B 52 -14.834 -3.402 7.624 1.00 0.00 O ATOM 0 H ASP B 52 -15.581 0.353 6.933 1.00 0.00 H new ATOM 0 HA ASP B 52 -16.592 -1.676 5.234 1.00 0.00 H new ATOM 0 HB2 ASP B 52 -16.949 -1.253 8.231 1.00 0.00 H new ATOM 0 HB3 ASP B 52 -17.207 -2.758 7.371 1.00 0.00 H new ATOM 1616 N GLY B 53 -19.099 -1.562 5.247 1.00 0.00 N ATOM 1617 CA GLY B 53 -20.525 -1.341 5.084 1.00 0.00 C ATOM 1618 C GLY B 53 -20.878 -0.716 3.747 1.00 0.00 C ATOM 1619 O GLY B 53 -21.904 -1.050 3.153 1.00 0.00 O ATOM 0 H GLY B 53 -18.735 -2.383 4.764 1.00 0.00 H new ATOM 0 HA2 GLY B 53 -21.048 -2.292 5.184 1.00 0.00 H new ATOM 0 HA3 GLY B 53 -20.881 -0.695 5.886 1.00 0.00 H new ATOM 1623 N ARG B 54 -20.033 0.193 3.273 1.00 0.00 N ATOM 1624 CA ARG B 54 -20.272 0.867 1.998 1.00 0.00 C ATOM 1625 C ARG B 54 -20.093 -0.085 0.819 1.00 0.00 C ATOM 1626 O ARG B 54 -19.088 -0.785 0.718 1.00 0.00 O ATOM 1627 CB ARG B 54 -19.339 2.070 1.851 1.00 0.00 C ATOM 1628 CG ARG B 54 -19.611 3.175 2.860 1.00 0.00 C ATOM 1629 CD ARG B 54 -21.020 3.729 2.712 1.00 0.00 C ATOM 1630 NE ARG B 54 -21.321 4.749 3.713 1.00 0.00 N ATOM 1631 CZ ARG B 54 -21.379 4.509 5.021 1.00 0.00 C ATOM 1632 NH1 ARG B 54 -21.190 3.280 5.485 1.00 0.00 N ATOM 1633 NH2 ARG B 54 -21.634 5.497 5.866 1.00 0.00 N ATOM 0 H ARG B 54 -19.178 0.481 3.749 1.00 0.00 H new ATOM 0 HA ARG B 54 -21.306 1.213 1.994 1.00 0.00 H new ATOM 0 HB2 ARG B 54 -18.307 1.735 1.960 1.00 0.00 H new ATOM 0 HB3 ARG B 54 -19.438 2.476 0.844 1.00 0.00 H new ATOM 0 HG2 ARG B 54 -19.475 2.789 3.870 1.00 0.00 H new ATOM 0 HG3 ARG B 54 -18.887 3.978 2.726 1.00 0.00 H new ATOM 0 HD2 ARG B 54 -21.138 4.155 1.716 1.00 0.00 H new ATOM 0 HD3 ARG B 54 -21.739 2.915 2.798 1.00 0.00 H new ATOM 0 HE ARG B 54 -21.497 5.701 3.391 1.00 0.00 H new ATOM 0 HH11 ARG B 54 -20.999 2.514 4.838 1.00 0.00 H new ATOM 0 HH12 ARG B 54 -21.235 3.101 6.488 1.00 0.00 H new ATOM 0 HH21 ARG B 54 -21.786 6.442 5.514 1.00 0.00 H new ATOM 0 HH22 ARG B 54 -21.678 5.312 6.868 1.00 0.00 H new ATOM 1647 N THR B 55 -21.080 -0.102 -0.072 1.00 0.00 N ATOM 1648 CA THR B 55 -21.047 -0.961 -1.251 1.00 0.00 C ATOM 1649 C THR B 55 -20.019 -0.480 -2.272 1.00 0.00 C ATOM 1650 O THR B 55 -19.683 0.703 -2.318 1.00 0.00 O ATOM 1651 CB THR B 55 -22.425 -1.031 -1.935 1.00 0.00 C ATOM 1652 OG1 THR B 55 -22.828 0.275 -2.362 1.00 0.00 O ATOM 1653 CG2 THR B 55 -23.470 -1.607 -0.992 1.00 0.00 C ATOM 0 H THR B 55 -21.918 0.474 0.002 1.00 0.00 H new ATOM 0 HA THR B 55 -20.765 -1.953 -0.899 1.00 0.00 H new ATOM 0 HB THR B 55 -22.342 -1.686 -2.802 1.00 0.00 H new ATOM 0 HG1 THR B 55 -22.331 0.952 -1.857 1.00 0.00 H new ATOM 0 HG21 THR B 55 -24.435 -1.646 -1.498 1.00 0.00 H new ATOM 0 HG22 THR B 55 -23.176 -2.613 -0.694 1.00 0.00 H new ATOM 0 HG23 THR B 55 -23.550 -0.975 -0.108 1.00 0.00 H new ATOM 1661 N LEU B 56 -19.535 -1.408 -3.095 1.00 0.00 N ATOM 1662 CA LEU B 56 -18.554 -1.090 -4.131 1.00 0.00 C ATOM 1663 C LEU B 56 -19.032 0.077 -4.992 1.00 0.00 C ATOM 1664 O LEU B 56 -18.242 0.932 -5.394 1.00 0.00 O ATOM 1665 CB LEU B 56 -18.309 -2.313 -5.022 1.00 0.00 C ATOM 1666 CG LEU B 56 -17.630 -3.506 -4.342 1.00 0.00 C ATOM 1667 CD1 LEU B 56 -17.676 -4.728 -5.246 1.00 0.00 C ATOM 1668 CD2 LEU B 56 -16.189 -3.167 -3.990 1.00 0.00 C ATOM 0 H LEU B 56 -19.808 -2.390 -3.064 1.00 0.00 H new ATOM 0 HA LEU B 56 -17.624 -0.807 -3.639 1.00 0.00 H new ATOM 0 HB2 LEU B 56 -19.267 -2.644 -5.424 1.00 0.00 H new ATOM 0 HB3 LEU B 56 -17.697 -2.005 -5.870 1.00 0.00 H new ATOM 0 HG LEU B 56 -18.170 -3.732 -3.422 1.00 0.00 H new ATOM 0 HD11 LEU B 56 -17.190 -5.567 -4.749 1.00 0.00 H new ATOM 0 HD12 LEU B 56 -18.714 -4.984 -5.459 1.00 0.00 H new ATOM 0 HD13 LEU B 56 -17.158 -4.510 -6.180 1.00 0.00 H new ATOM 0 HD21 LEU B 56 -15.721 -4.025 -3.508 1.00 0.00 H new ATOM 0 HD22 LEU B 56 -15.641 -2.918 -4.899 1.00 0.00 H new ATOM 0 HD23 LEU B 56 -16.171 -2.315 -3.311 1.00 0.00 H new ATOM 1680 N SER B 57 -20.331 0.096 -5.277 1.00 0.00 N ATOM 1681 CA SER B 57 -20.931 1.142 -6.099 1.00 0.00 C ATOM 1682 C SER B 57 -20.634 2.535 -5.551 1.00 0.00 C ATOM 1683 O SER B 57 -20.436 3.479 -6.316 1.00 0.00 O ATOM 1684 CB SER B 57 -22.444 0.934 -6.191 1.00 0.00 C ATOM 1685 OG SER B 57 -23.052 1.946 -6.975 1.00 0.00 O ATOM 0 H SER B 57 -20.993 -0.607 -4.948 1.00 0.00 H new ATOM 0 HA SER B 57 -20.489 1.073 -7.093 1.00 0.00 H new ATOM 0 HB2 SER B 57 -22.654 -0.043 -6.626 1.00 0.00 H new ATOM 0 HB3 SER B 57 -22.876 0.936 -5.190 1.00 0.00 H new ATOM 0 HG SER B 57 -24.018 1.789 -7.019 1.00 0.00 H new ATOM 1691 N ASP B 58 -20.614 2.663 -4.226 1.00 0.00 N ATOM 1692 CA ASP B 58 -20.351 3.950 -3.588 1.00 0.00 C ATOM 1693 C ASP B 58 -19.041 4.561 -4.078 1.00 0.00 C ATOM 1694 O ASP B 58 -19.025 5.687 -4.575 1.00 0.00 O ATOM 1695 CB ASP B 58 -20.319 3.794 -2.068 1.00 0.00 C ATOM 1696 CG ASP B 58 -21.674 3.421 -1.502 1.00 0.00 C ATOM 1697 OD1 ASP B 58 -22.633 4.198 -1.697 1.00 0.00 O ATOM 1698 OD2 ASP B 58 -21.778 2.352 -0.866 1.00 0.00 O ATOM 0 H ASP B 58 -20.776 1.894 -3.576 1.00 0.00 H new ATOM 0 HA ASP B 58 -21.161 4.626 -3.862 1.00 0.00 H new ATOM 0 HB2 ASP B 58 -19.591 3.029 -1.798 1.00 0.00 H new ATOM 0 HB3 ASP B 58 -19.983 4.727 -1.616 1.00 0.00 H new ATOM 1703 N TYR B 59 -17.944 3.818 -3.942 1.00 0.00 N ATOM 1704 CA TYR B 59 -16.642 4.308 -4.381 1.00 0.00 C ATOM 1705 C TYR B 59 -16.480 4.149 -5.891 1.00 0.00 C ATOM 1706 O TYR B 59 -15.367 4.213 -6.414 1.00 0.00 O ATOM 1707 CB TYR B 59 -15.513 3.572 -3.657 1.00 0.00 C ATOM 1708 CG TYR B 59 -15.518 3.768 -2.156 1.00 0.00 C ATOM 1709 CD1 TYR B 59 -16.473 3.153 -1.356 1.00 0.00 C ATOM 1710 CD2 TYR B 59 -14.569 4.577 -1.541 1.00 0.00 C ATOM 1711 CE1 TYR B 59 -16.481 3.335 0.014 1.00 0.00 C ATOM 1712 CE2 TYR B 59 -14.571 4.764 -0.172 1.00 0.00 C ATOM 1713 CZ TYR B 59 -15.528 4.141 0.600 1.00 0.00 C ATOM 1714 OH TYR B 59 -15.533 4.326 1.964 1.00 0.00 O ATOM 0 H TYR B 59 -17.932 2.883 -3.535 1.00 0.00 H new ATOM 0 HA TYR B 59 -16.586 5.368 -4.134 1.00 0.00 H new ATOM 0 HB2 TYR B 59 -15.588 2.507 -3.875 1.00 0.00 H new ATOM 0 HB3 TYR B 59 -14.557 3.912 -4.055 1.00 0.00 H new ATOM 0 HD1 TYR B 59 -17.222 2.522 -1.812 1.00 0.00 H new ATOM 0 HD2 TYR B 59 -13.818 5.067 -2.143 1.00 0.00 H new ATOM 0 HE1 TYR B 59 -17.229 2.849 0.622 1.00 0.00 H new ATOM 0 HE2 TYR B 59 -13.827 5.395 0.291 1.00 0.00 H new ATOM 0 HH TYR B 59 -14.796 4.920 2.216 1.00 0.00 H new ATOM 1724 N ASN B 60 -17.600 3.948 -6.582 1.00 0.00 N ATOM 1725 CA ASN B 60 -17.595 3.782 -8.033 1.00 0.00 C ATOM 1726 C ASN B 60 -16.543 2.757 -8.458 1.00 0.00 C ATOM 1727 O ASN B 60 -15.894 2.906 -9.494 1.00 0.00 O ATOM 1728 CB ASN B 60 -17.333 5.127 -8.717 1.00 0.00 C ATOM 1729 CG ASN B 60 -17.474 5.050 -10.224 1.00 0.00 C ATOM 1730 OD1 ASN B 60 -18.546 4.734 -10.744 1.00 0.00 O ATOM 1731 ND2 ASN B 60 -16.391 5.337 -10.936 1.00 0.00 N ATOM 0 H ASN B 60 -18.526 3.896 -6.158 1.00 0.00 H new ATOM 0 HA ASN B 60 -18.574 3.414 -8.341 1.00 0.00 H new ATOM 0 HB2 ASN B 60 -18.029 5.870 -8.328 1.00 0.00 H new ATOM 0 HB3 ASN B 60 -16.329 5.469 -8.466 1.00 0.00 H new ATOM 0 HD21 ASN B 60 -16.426 5.301 -11.955 1.00 0.00 H new ATOM 0 HD22 ASN B 60 -15.524 5.594 -10.464 1.00 0.00 H new ATOM 1738 N ILE B 61 -16.376 1.720 -7.645 1.00 0.00 N ATOM 1739 CA ILE B 61 -15.401 0.675 -7.933 1.00 0.00 C ATOM 1740 C ILE B 61 -15.853 -0.182 -9.111 1.00 0.00 C ATOM 1741 O ILE B 61 -16.938 -0.762 -9.090 1.00 0.00 O ATOM 1742 CB ILE B 61 -15.171 -0.225 -6.702 1.00 0.00 C ATOM 1743 CG1 ILE B 61 -14.734 0.624 -5.504 1.00 0.00 C ATOM 1744 CG2 ILE B 61 -14.130 -1.293 -7.013 1.00 0.00 C ATOM 1745 CD1 ILE B 61 -14.535 -0.171 -4.231 1.00 0.00 C ATOM 0 H ILE B 61 -16.902 1.581 -6.782 1.00 0.00 H new ATOM 0 HA ILE B 61 -14.463 1.168 -8.190 1.00 0.00 H new ATOM 0 HB ILE B 61 -16.107 -0.724 -6.450 1.00 0.00 H new ATOM 0 HG12 ILE B 61 -13.803 1.134 -5.752 1.00 0.00 H new ATOM 0 HG13 ILE B 61 -15.482 1.396 -5.326 1.00 0.00 H new ATOM 0 HG21 ILE B 61 -13.979 -1.920 -6.135 1.00 0.00 H new ATOM 0 HG22 ILE B 61 -14.477 -1.909 -7.843 1.00 0.00 H new ATOM 0 HG23 ILE B 61 -13.189 -0.815 -7.284 1.00 0.00 H new ATOM 0 HD11 ILE B 61 -14.226 0.499 -3.428 1.00 0.00 H new ATOM 0 HD12 ILE B 61 -15.470 -0.659 -3.957 1.00 0.00 H new ATOM 0 HD13 ILE B 61 -13.765 -0.926 -4.390 1.00 0.00 H new ATOM 1757 N GLN B 62 -15.011 -0.256 -10.137 1.00 0.00 N ATOM 1758 CA GLN B 62 -15.319 -1.042 -11.326 1.00 0.00 C ATOM 1759 C GLN B 62 -15.015 -2.521 -11.090 1.00 0.00 C ATOM 1760 O GLN B 62 -15.248 -3.043 -10.000 1.00 0.00 O ATOM 1761 CB GLN B 62 -14.527 -0.515 -12.525 1.00 0.00 C ATOM 1762 CG GLN B 62 -14.778 0.955 -12.820 1.00 0.00 C ATOM 1763 CD GLN B 62 -14.000 1.450 -14.025 1.00 0.00 C ATOM 1764 OE1 GLN B 62 -12.772 1.380 -14.056 1.00 0.00 O ATOM 1765 NE2 GLN B 62 -14.714 1.957 -15.023 1.00 0.00 N ATOM 0 H GLN B 62 -14.109 0.220 -10.169 1.00 0.00 H new ATOM 0 HA GLN B 62 -16.383 -0.945 -11.540 1.00 0.00 H new ATOM 0 HB2 GLN B 62 -13.463 -0.664 -12.341 1.00 0.00 H new ATOM 0 HB3 GLN B 62 -14.783 -1.103 -13.406 1.00 0.00 H new ATOM 0 HG2 GLN B 62 -15.843 1.111 -12.991 1.00 0.00 H new ATOM 0 HG3 GLN B 62 -14.505 1.549 -11.947 1.00 0.00 H new ATOM 0 HE21 GLN B 62 -15.731 1.995 -14.954 1.00 0.00 H new ATOM 0 HE22 GLN B 62 -14.246 2.308 -15.858 1.00 0.00 H new ATOM 1774 N LYS B 63 -14.491 -3.194 -12.113 1.00 0.00 N ATOM 1775 CA LYS B 63 -14.155 -4.609 -12.005 1.00 0.00 C ATOM 1776 C LYS B 63 -12.642 -4.807 -12.044 1.00 0.00 C ATOM 1777 O LYS B 63 -11.935 -4.094 -12.757 1.00 0.00 O ATOM 1778 CB LYS B 63 -14.816 -5.406 -13.133 1.00 0.00 C ATOM 1779 CG LYS B 63 -14.357 -4.993 -14.522 1.00 0.00 C ATOM 1780 CD LYS B 63 -15.015 -5.839 -15.599 1.00 0.00 C ATOM 1781 CE LYS B 63 -14.540 -5.440 -16.987 1.00 0.00 C ATOM 1782 NZ LYS B 63 -14.862 -4.020 -17.297 1.00 0.00 N ATOM 0 H LYS B 63 -14.291 -2.781 -13.024 1.00 0.00 H new ATOM 0 HA LYS B 63 -14.531 -4.975 -11.050 1.00 0.00 H new ATOM 0 HB2 LYS B 63 -14.604 -6.466 -12.990 1.00 0.00 H new ATOM 0 HB3 LYS B 63 -15.897 -5.285 -13.066 1.00 0.00 H new ATOM 0 HG2 LYS B 63 -14.594 -3.942 -14.687 1.00 0.00 H new ATOM 0 HG3 LYS B 63 -13.274 -5.090 -14.592 1.00 0.00 H new ATOM 0 HD2 LYS B 63 -14.790 -6.891 -15.425 1.00 0.00 H new ATOM 0 HD3 LYS B 63 -16.098 -5.730 -15.538 1.00 0.00 H new ATOM 0 HE2 LYS B 63 -13.463 -5.592 -17.060 1.00 0.00 H new ATOM 0 HE3 LYS B 63 -15.005 -6.088 -17.730 1.00 0.00 H new ATOM 0 HZ1 LYS B 63 -14.743 -3.852 -18.316 1.00 0.00 H new ATOM 0 HZ2 LYS B 63 -15.846 -3.820 -17.026 1.00 0.00 H new ATOM 0 HZ3 LYS B 63 -14.223 -3.395 -16.766 1.00 0.00 H new ATOM 1796 N GLU B 64 -12.154 -5.774 -11.271 1.00 0.00 N ATOM 1797 CA GLU B 64 -10.724 -6.061 -11.217 1.00 0.00 C ATOM 1798 C GLU B 64 -9.944 -4.832 -10.757 1.00 0.00 C ATOM 1799 O GLU B 64 -8.814 -4.604 -11.187 1.00 0.00 O ATOM 1800 CB GLU B 64 -10.219 -6.506 -12.592 1.00 0.00 C ATOM 1801 CG GLU B 64 -10.920 -7.739 -13.135 1.00 0.00 C ATOM 1802 CD GLU B 64 -10.468 -8.089 -14.539 1.00 0.00 C ATOM 1803 OE1 GLU B 64 -10.663 -7.256 -15.450 1.00 0.00 O ATOM 1804 OE2 GLU B 64 -9.915 -9.192 -14.729 1.00 0.00 O ATOM 0 H GLU B 64 -12.727 -6.371 -10.675 1.00 0.00 H new ATOM 0 HA GLU B 64 -10.567 -6.866 -10.499 1.00 0.00 H new ATOM 0 HB2 GLU B 64 -10.348 -5.686 -13.298 1.00 0.00 H new ATOM 0 HB3 GLU B 64 -9.150 -6.707 -12.528 1.00 0.00 H new ATOM 0 HG2 GLU B 64 -10.728 -8.584 -12.473 1.00 0.00 H new ATOM 0 HG3 GLU B 64 -11.997 -7.571 -13.134 1.00 0.00 H new ATOM 1811 N SER B 65 -10.558 -4.043 -9.882 1.00 0.00 N ATOM 1812 CA SER B 65 -9.923 -2.837 -9.365 1.00 0.00 C ATOM 1813 C SER B 65 -8.817 -3.184 -8.376 1.00 0.00 C ATOM 1814 O SER B 65 -8.962 -4.098 -7.562 1.00 0.00 O ATOM 1815 CB SER B 65 -10.959 -1.932 -8.697 1.00 0.00 C ATOM 1816 OG SER B 65 -10.374 -0.715 -8.269 1.00 0.00 O ATOM 0 H SER B 65 -11.494 -4.217 -9.516 1.00 0.00 H new ATOM 0 HA SER B 65 -9.478 -2.305 -10.206 1.00 0.00 H new ATOM 0 HB2 SER B 65 -11.769 -1.723 -9.396 1.00 0.00 H new ATOM 0 HB3 SER B 65 -11.400 -2.447 -7.843 1.00 0.00 H new ATOM 0 HG SER B 65 -10.867 -0.369 -7.496 1.00 0.00 H new ATOM 1822 N THR B 66 -7.710 -2.451 -8.454 1.00 0.00 N ATOM 1823 CA THR B 66 -6.579 -2.676 -7.563 1.00 0.00 C ATOM 1824 C THR B 66 -6.816 -2.026 -6.203 1.00 0.00 C ATOM 1825 O THR B 66 -7.139 -0.841 -6.117 1.00 0.00 O ATOM 1826 CB THR B 66 -5.268 -2.129 -8.166 1.00 0.00 C ATOM 1827 OG1 THR B 66 -5.027 -2.733 -9.443 1.00 0.00 O ATOM 1828 CG2 THR B 66 -4.088 -2.402 -7.244 1.00 0.00 C ATOM 0 H THR B 66 -7.573 -1.696 -9.126 1.00 0.00 H new ATOM 0 HA THR B 66 -6.485 -3.754 -7.435 1.00 0.00 H new ATOM 0 HB THR B 66 -5.374 -1.051 -8.285 1.00 0.00 H new ATOM 0 HG1 THR B 66 -4.194 -2.380 -9.820 1.00 0.00 H new ATOM 0 HG21 THR B 66 -3.177 -2.006 -7.693 1.00 0.00 H new ATOM 0 HG22 THR B 66 -4.258 -1.919 -6.282 1.00 0.00 H new ATOM 0 HG23 THR B 66 -3.983 -3.477 -7.096 1.00 0.00 H new ATOM 1836 N LEU B 67 -6.647 -2.810 -5.145 1.00 0.00 N ATOM 1837 CA LEU B 67 -6.832 -2.321 -3.783 1.00 0.00 C ATOM 1838 C LEU B 67 -5.544 -2.485 -2.987 1.00 0.00 C ATOM 1839 O LEU B 67 -4.956 -3.565 -2.963 1.00 0.00 O ATOM 1840 CB LEU B 67 -7.975 -3.074 -3.097 1.00 0.00 C ATOM 1841 CG LEU B 67 -9.370 -2.817 -3.676 1.00 0.00 C ATOM 1842 CD1 LEU B 67 -10.389 -3.752 -3.046 1.00 0.00 C ATOM 1843 CD2 LEU B 67 -9.779 -1.369 -3.461 1.00 0.00 C ATOM 0 H LEU B 67 -6.381 -3.793 -5.204 1.00 0.00 H new ATOM 0 HA LEU B 67 -7.088 -1.262 -3.825 1.00 0.00 H new ATOM 0 HB2 LEU B 67 -7.768 -4.143 -3.152 1.00 0.00 H new ATOM 0 HB3 LEU B 67 -7.983 -2.805 -2.041 1.00 0.00 H new ATOM 0 HG LEU B 67 -9.337 -3.012 -4.748 1.00 0.00 H new ATOM 0 HD11 LEU B 67 -11.374 -3.555 -3.469 1.00 0.00 H new ATOM 0 HD12 LEU B 67 -10.108 -4.786 -3.247 1.00 0.00 H new ATOM 0 HD13 LEU B 67 -10.417 -3.587 -1.969 1.00 0.00 H new ATOM 0 HD21 LEU B 67 -10.772 -1.206 -3.879 1.00 0.00 H new ATOM 0 HD22 LEU B 67 -9.794 -1.150 -2.393 1.00 0.00 H new ATOM 0 HD23 LEU B 67 -9.064 -0.712 -3.956 1.00 0.00 H new ATOM 1855 N HIS B 68 -5.101 -1.409 -2.347 1.00 0.00 N ATOM 1856 CA HIS B 68 -3.872 -1.446 -1.564 1.00 0.00 C ATOM 1857 C HIS B 68 -4.140 -1.764 -0.098 1.00 0.00 C ATOM 1858 O HIS B 68 -5.052 -1.211 0.512 1.00 0.00 O ATOM 1859 CB HIS B 68 -3.125 -0.119 -1.685 1.00 0.00 C ATOM 1860 CG HIS B 68 -2.522 0.109 -3.037 1.00 0.00 C ATOM 1861 ND1 HIS B 68 -1.787 1.231 -3.354 1.00 0.00 N ATOM 1862 CD2 HIS B 68 -2.543 -0.652 -4.158 1.00 0.00 C ATOM 1863 CE1 HIS B 68 -1.382 1.150 -4.609 1.00 0.00 C ATOM 1864 NE2 HIS B 68 -1.828 0.018 -5.118 1.00 0.00 N ATOM 0 H HIS B 68 -5.572 -0.504 -2.355 1.00 0.00 H new ATOM 0 HA HIS B 68 -3.253 -2.247 -1.968 1.00 0.00 H new ATOM 0 HB2 HIS B 68 -3.812 0.697 -1.461 1.00 0.00 H new ATOM 0 HB3 HIS B 68 -2.336 -0.086 -0.934 1.00 0.00 H new ATOM 0 HD1 HIS B 68 -1.587 2.004 -2.719 1.00 0.00 H new ATOM 0 HD2 HIS B 68 -3.032 -1.608 -4.274 1.00 0.00 H new ATOM 0 HE1 HIS B 68 -0.787 1.886 -5.130 1.00 0.00 H new ATOM 0 HE2 HIS B 68 -1.667 -0.307 -6.071 1.00 0.00 H new ATOM 1873 N LEU B 69 -3.325 -2.654 0.461 1.00 0.00 N ATOM 1874 CA LEU B 69 -3.455 -3.043 1.859 1.00 0.00 C ATOM 1875 C LEU B 69 -2.213 -2.606 2.632 1.00 0.00 C ATOM 1876 O LEU B 69 -1.086 -2.848 2.195 1.00 0.00 O ATOM 1877 CB LEU B 69 -3.656 -4.563 1.965 1.00 0.00 C ATOM 1878 CG LEU B 69 -4.100 -5.092 3.335 1.00 0.00 C ATOM 1879 CD1 LEU B 69 -4.549 -6.540 3.221 1.00 0.00 C ATOM 1880 CD2 LEU B 69 -2.980 -4.973 4.359 1.00 0.00 C ATOM 0 H LEU B 69 -2.566 -3.120 -0.036 1.00 0.00 H new ATOM 0 HA LEU B 69 -4.326 -2.551 2.293 1.00 0.00 H new ATOM 0 HB2 LEU B 69 -4.398 -4.863 1.225 1.00 0.00 H new ATOM 0 HB3 LEU B 69 -2.720 -5.052 1.695 1.00 0.00 H new ATOM 0 HG LEU B 69 -4.938 -4.484 3.674 1.00 0.00 H new ATOM 0 HD11 LEU B 69 -4.861 -6.902 4.200 1.00 0.00 H new ATOM 0 HD12 LEU B 69 -5.385 -6.608 2.525 1.00 0.00 H new ATOM 0 HD13 LEU B 69 -3.723 -7.149 2.855 1.00 0.00 H new ATOM 0 HD21 LEU B 69 -3.324 -5.355 5.320 1.00 0.00 H new ATOM 0 HD22 LEU B 69 -2.119 -5.552 4.025 1.00 0.00 H new ATOM 0 HD23 LEU B 69 -2.695 -3.927 4.466 1.00 0.00 H new ATOM 1892 N VAL B 70 -2.419 -1.956 3.774 1.00 0.00 N ATOM 1893 CA VAL B 70 -1.305 -1.484 4.591 1.00 0.00 C ATOM 1894 C VAL B 70 -1.562 -1.736 6.076 1.00 0.00 C ATOM 1895 O VAL B 70 -2.519 -1.219 6.649 1.00 0.00 O ATOM 1896 CB VAL B 70 -1.056 0.024 4.374 1.00 0.00 C ATOM 1897 CG1 VAL B 70 0.118 0.506 5.214 1.00 0.00 C ATOM 1898 CG2 VAL B 70 -0.822 0.324 2.899 1.00 0.00 C ATOM 0 H VAL B 70 -3.342 -1.745 4.153 1.00 0.00 H new ATOM 0 HA VAL B 70 -0.423 -2.044 4.280 1.00 0.00 H new ATOM 0 HB VAL B 70 -1.947 0.564 4.696 1.00 0.00 H new ATOM 0 HG11 VAL B 70 0.274 1.571 5.044 1.00 0.00 H new ATOM 0 HG12 VAL B 70 -0.095 0.334 6.269 1.00 0.00 H new ATOM 0 HG13 VAL B 70 1.017 -0.042 4.931 1.00 0.00 H new ATOM 0 HG21 VAL B 70 -0.649 1.392 2.768 1.00 0.00 H new ATOM 0 HG22 VAL B 70 0.048 -0.231 2.549 1.00 0.00 H new ATOM 0 HG23 VAL B 70 -1.698 0.025 2.324 1.00 0.00 H new ATOM 1908 N LEU B 71 -0.693 -2.534 6.691 1.00 0.00 N ATOM 1909 CA LEU B 71 -0.815 -2.860 8.110 1.00 0.00 C ATOM 1910 C LEU B 71 -0.360 -1.696 8.982 1.00 0.00 C ATOM 1911 O LEU B 71 0.640 -1.042 8.690 1.00 0.00 O ATOM 1912 CB LEU B 71 0.001 -4.112 8.440 1.00 0.00 C ATOM 1913 CG LEU B 71 -0.441 -5.381 7.709 1.00 0.00 C ATOM 1914 CD1 LEU B 71 0.505 -6.532 8.015 1.00 0.00 C ATOM 1915 CD2 LEU B 71 -1.868 -5.747 8.090 1.00 0.00 C ATOM 0 H LEU B 71 0.105 -2.968 6.228 1.00 0.00 H new ATOM 0 HA LEU B 71 -1.867 -3.054 8.321 1.00 0.00 H new ATOM 0 HB2 LEU B 71 1.047 -3.919 8.202 1.00 0.00 H new ATOM 0 HB3 LEU B 71 -0.054 -4.291 9.514 1.00 0.00 H new ATOM 0 HG LEU B 71 -0.410 -5.188 6.637 1.00 0.00 H new ATOM 0 HD11 LEU B 71 0.174 -7.426 7.486 1.00 0.00 H new ATOM 0 HD12 LEU B 71 1.512 -6.271 7.691 1.00 0.00 H new ATOM 0 HD13 LEU B 71 0.508 -6.725 9.088 1.00 0.00 H new ATOM 0 HD21 LEU B 71 -2.165 -6.652 7.560 1.00 0.00 H new ATOM 0 HD22 LEU B 71 -1.925 -5.920 9.165 1.00 0.00 H new ATOM 0 HD23 LEU B 71 -2.538 -4.931 7.818 1.00 0.00 H new ATOM 1927 N ARG B 72 -1.102 -1.445 10.054 1.00 0.00 N ATOM 1928 CA ARG B 72 -0.777 -0.362 10.972 1.00 0.00 C ATOM 1929 C ARG B 72 0.533 -0.637 11.706 1.00 0.00 C ATOM 1930 O ARG B 72 1.421 0.214 11.748 1.00 0.00 O ATOM 1931 CB ARG B 72 -1.912 -0.159 11.977 1.00 0.00 C ATOM 1932 CG ARG B 72 -3.216 0.287 11.337 1.00 0.00 C ATOM 1933 CD ARG B 72 -4.305 0.499 12.375 1.00 0.00 C ATOM 1934 NE ARG B 72 -3.932 1.510 13.360 1.00 0.00 N ATOM 1935 CZ ARG B 72 -4.724 1.902 14.354 1.00 0.00 C ATOM 1936 NH1 ARG B 72 -5.935 1.377 14.489 1.00 0.00 N ATOM 1937 NH2 ARG B 72 -4.305 2.821 15.212 1.00 0.00 N ATOM 0 H ARG B 72 -1.934 -1.978 10.308 1.00 0.00 H new ATOM 0 HA ARG B 72 -0.654 0.549 10.387 1.00 0.00 H new ATOM 0 HB2 ARG B 72 -2.081 -1.092 12.515 1.00 0.00 H new ATOM 0 HB3 ARG B 72 -1.606 0.583 12.714 1.00 0.00 H new ATOM 0 HG2 ARG B 72 -3.053 1.213 10.785 1.00 0.00 H new ATOM 0 HG3 ARG B 72 -3.542 -0.461 10.615 1.00 0.00 H new ATOM 0 HD2 ARG B 72 -5.227 0.800 11.877 1.00 0.00 H new ATOM 0 HD3 ARG B 72 -4.510 -0.443 12.883 1.00 0.00 H new ATOM 0 HE ARG B 72 -3.011 1.941 13.281 1.00 0.00 H new ATOM 0 HH11 ARG B 72 -6.261 0.671 13.829 1.00 0.00 H new ATOM 0 HH12 ARG B 72 -6.540 1.680 15.252 1.00 0.00 H new ATOM 0 HH21 ARG B 72 -3.375 3.228 15.110 1.00 0.00 H new ATOM 0 HH22 ARG B 72 -4.912 3.122 15.974 1.00 0.00 H new ATOM 1951 N LEU B 73 0.645 -1.829 12.285 1.00 0.00 N ATOM 1952 CA LEU B 73 1.850 -2.212 13.016 1.00 0.00 C ATOM 1953 C LEU B 73 3.001 -2.461 12.042 1.00 0.00 C ATOM 1954 O LEU B 73 2.838 -3.161 11.042 1.00 0.00 O ATOM 1955 CB LEU B 73 1.578 -3.467 13.856 1.00 0.00 C ATOM 1956 CG LEU B 73 2.495 -3.669 15.072 1.00 0.00 C ATOM 1957 CD1 LEU B 73 2.037 -4.869 15.885 1.00 0.00 C ATOM 1958 CD2 LEU B 73 3.944 -3.848 14.645 1.00 0.00 C ATOM 0 H LEU B 73 -0.081 -2.545 12.263 1.00 0.00 H new ATOM 0 HA LEU B 73 2.132 -1.399 13.684 1.00 0.00 H new ATOM 0 HB2 LEU B 73 0.546 -3.431 14.205 1.00 0.00 H new ATOM 0 HB3 LEU B 73 1.666 -4.340 13.209 1.00 0.00 H new ATOM 0 HG LEU B 73 2.432 -2.775 15.692 1.00 0.00 H new ATOM 0 HD11 LEU B 73 2.696 -5.000 16.743 1.00 0.00 H new ATOM 0 HD12 LEU B 73 1.017 -4.705 16.232 1.00 0.00 H new ATOM 0 HD13 LEU B 73 2.069 -5.764 15.263 1.00 0.00 H new ATOM 0 HD21 LEU B 73 4.569 -3.989 15.527 1.00 0.00 H new ATOM 0 HD22 LEU B 73 4.027 -4.721 13.998 1.00 0.00 H new ATOM 0 HD23 LEU B 73 4.276 -2.962 14.103 1.00 0.00 H new ATOM 1970 N ARG B 74 4.160 -1.881 12.338 1.00 0.00 N ATOM 1971 CA ARG B 74 5.338 -2.037 11.489 1.00 0.00 C ATOM 1972 C ARG B 74 5.746 -3.503 11.376 1.00 0.00 C ATOM 1973 O ARG B 74 5.845 -4.210 12.378 1.00 0.00 O ATOM 1974 CB ARG B 74 6.504 -1.214 12.043 1.00 0.00 C ATOM 1975 CG ARG B 74 6.233 0.283 12.080 1.00 0.00 C ATOM 1976 CD ARG B 74 6.154 0.891 10.685 1.00 0.00 C ATOM 1977 NE ARG B 74 7.456 0.921 10.013 1.00 0.00 N ATOM 1978 CZ ARG B 74 7.984 -0.111 9.355 1.00 0.00 C ATOM 1979 NH1 ARG B 74 7.292 -1.230 9.192 1.00 0.00 N ATOM 1980 NH2 ARG B 74 9.200 -0.010 8.835 1.00 0.00 N ATOM 0 H ARG B 74 4.310 -1.297 13.161 1.00 0.00 H new ATOM 0 HA ARG B 74 5.083 -1.675 10.493 1.00 0.00 H new ATOM 0 HB2 ARG B 74 6.733 -1.558 13.052 1.00 0.00 H new ATOM 0 HB3 ARG B 74 7.389 -1.399 11.435 1.00 0.00 H new ATOM 0 HG2 ARG B 74 5.297 0.468 12.608 1.00 0.00 H new ATOM 0 HG3 ARG B 74 7.022 0.779 12.646 1.00 0.00 H new ATOM 0 HD2 ARG B 74 5.450 0.318 10.081 1.00 0.00 H new ATOM 0 HD3 ARG B 74 5.761 1.905 10.756 1.00 0.00 H new ATOM 0 HE ARG B 74 7.993 1.787 10.051 1.00 0.00 H new ATOM 0 HH11 ARG B 74 6.348 -1.306 9.571 1.00 0.00 H new ATOM 0 HH12 ARG B 74 7.703 -2.015 8.687 1.00 0.00 H new ATOM 0 HH21 ARG B 74 9.729 0.856 8.939 1.00 0.00 H new ATOM 0 HH22 ARG B 74 9.606 -0.798 8.331 1.00 0.00 H new ATOM 1994 N GLY B 75 5.988 -3.950 10.146 1.00 0.00 N ATOM 1995 CA GLY B 75 6.386 -5.328 9.919 1.00 0.00 C ATOM 1996 C GLY B 75 5.338 -6.319 10.385 1.00 0.00 C ATOM 1997 O GLY B 75 5.661 -7.309 11.043 1.00 0.00 O ATOM 0 H GLY B 75 5.915 -3.381 9.302 1.00 0.00 H new ATOM 0 HA2 GLY B 75 6.576 -5.478 8.856 1.00 0.00 H new ATOM 0 HA3 GLY B 75 7.323 -5.523 10.441 1.00 0.00 H new ATOM 2001 N GLY B 76 4.081 -6.054 10.044 1.00 0.00 N ATOM 2002 CA GLY B 76 3.000 -6.939 10.439 1.00 0.00 C ATOM 2003 C GLY B 76 2.808 -6.991 11.942 1.00 0.00 C ATOM 2004 O GLY B 76 1.949 -7.772 12.402 1.00 0.00 O ATOM 2005 OXT GLY B 76 3.517 -6.253 12.657 1.00 0.00 O ATOM 0 H GLY B 76 3.791 -5.241 9.500 1.00 0.00 H new ATOM 0 HA2 GLY B 76 2.074 -6.607 9.970 1.00 0.00 H new ATOM 0 HA3 GLY B 76 3.204 -7.943 10.068 1.00 0.00 H new TER 2009 GLY B 76