USER MOD reduce.3.24.130724 H: found=0, std=0, add=1085, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1085 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 63 HIS : no HE2:sc= 0.994 K(o=0.2,f=-8!) USER MOD Set 1.2: A 65 ASN : amide:sc= -0.789 K(o=0.2,f=-7.2!) USER MOD Set 2.1: A 1 ALA N :NH3+ -108:sc= -0.369 (180deg=-1.98!) USER MOD Set 2.2: A 22 GLN : amide:sc= -3.49! C(o=-3.9!,f=-5.7!) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 148:sc= -1.96! (180deg=-4.61!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -0.0597 K(o=-0.06,f=-3.9!) USER MOD Single : A 19 ASN : amide:sc= -0.5 X(o=-0.5,f=-0.03) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= -0.0857 USER MOD Single : A 26 ASN : amide:sc= -0.931 K(o=-0.93,f=-4.3!) USER MOD Single : A 30 LYS NZ :NH3+ -169:sc= -0.641! (180deg=-0.956) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.134 USER MOD Single : A 43 HIS : no HD1:sc= 0.816 K(o=0.82,f=-2.8!) USER MOD Single : A 46 HIS : +bothHN:sc= -6.71! C(o=-6.7!,f=-11!) USER MOD Single : A 48 HIS : +bothHN:sc= -1.94 K(o=-1.9,f=-7.5!) USER MOD Single : A 53 ASN : amide:sc= -0.178 K(o=-0.18,f=-0.98) USER MOD Single : A 54 THR OG1 : rot -41:sc= 1.12 USER MOD Single : A 58 THR OG1 : rot 82:sc= 0.853 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot -104:sc= 1.61 USER MOD Single : A 70 LYS NZ :NH3+ -157:sc= 1.16 (180deg=0.458) USER MOD Single : A 71 HIS : no HD1:sc= -0.704! C(o=-0.7!,f=-4.4!) USER MOD Single : A 75 LYS NZ :NH3+ 172:sc= 1.24 (180deg=0.983) USER MOD Single : A 80 HIS : +bothHN:sc= -1.28 K(o=-1.3,f=-5.1!) USER MOD Single : A 86 ASN : amide:sc= 1.05 K(o=1.1,f=-5.9!) USER MOD Single : A 88 THR OG1 : rot -58:sc= 0.449 USER MOD Single : A 91 LYS NZ :NH3+ 161:sc= 1.23 (180deg=0.711) USER MOD Single : A 98 SER OG : rot -87:sc= 1.2 USER MOD Single : A 102 SER OG : rot -82:sc= -0.531! USER MOD Single : A 105 SER OG : rot 31:sc= -0.57! USER MOD Single : A 107 SER OG : rot 119:sc= 1.43 USER MOD Single : A 110 HIS : no HD1:sc= -0.0687 K(o=-0.069,f=-1.3) USER MOD Single : A 111 SER OG : rot 180:sc= 0.0763 USER MOD Single : A 116 THR OG1 : rot -154:sc= -0.539 USER MOD Single : A 120 HIS : no HE2:sc= -0.731 K(o=-0.73,f=-5.2!) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 1.18 (180deg=1.18) USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 ASN : amide:sc= -0.179 X(o=-0.18,f=-0.15) USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD Single : A 135 THR OG1 : rot -70:sc= 1.23 USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 THR OG1 : rot 180:sc= -0.64 USER MOD Single : A 139 ASN : amide:sc= 0.715 K(o=0.72,f=-1.2) USER MOD Single : A 142 SER OG : rot 180:sc= 0.0641 USER MOD Single : A 153 GLN : amide:sc= -0.105 K(o=-0.11,f=-1.8) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 7.980 -12.851 1.628 1.00 0.00 N ATOM 2 CA ALA A 1 8.316 -13.483 0.383 1.00 0.00 C ATOM 3 C ALA A 1 7.065 -13.890 -0.393 1.00 0.00 C ATOM 4 O ALA A 1 6.582 -13.143 -1.213 1.00 0.00 O ATOM 5 CB ALA A 1 9.251 -14.671 0.597 1.00 0.00 C ATOM 0 H1 ALA A 1 8.186 -11.833 1.567 1.00 0.00 H new ATOM 0 H2 ALA A 1 6.968 -12.988 1.825 1.00 0.00 H new ATOM 0 H3 ALA A 1 8.542 -13.273 2.394 1.00 0.00 H new ATOM 0 HA ALA A 1 8.850 -12.750 -0.222 1.00 0.00 H new ATOM 0 HB1 ALA A 1 9.486 -15.127 -0.365 1.00 0.00 H new ATOM 0 HB2 ALA A 1 10.171 -14.329 1.071 1.00 0.00 H new ATOM 0 HB3 ALA A 1 8.764 -15.406 1.238 1.00 0.00 H new ATOM 13 N THR A 2 6.492 -15.015 -0.051 1.00 0.00 N ATOM 14 CA THR A 2 5.477 -15.629 -0.866 1.00 0.00 C ATOM 15 C THR A 2 4.003 -15.181 -0.576 1.00 0.00 C ATOM 16 O THR A 2 3.146 -15.337 -1.427 1.00 0.00 O ATOM 17 CB THR A 2 5.639 -17.150 -0.780 1.00 0.00 C ATOM 18 OG1 THR A 2 7.047 -17.438 -0.817 1.00 0.00 O ATOM 19 CG2 THR A 2 4.989 -17.827 -1.969 1.00 0.00 C ATOM 0 H THR A 2 6.716 -15.531 0.800 1.00 0.00 H new ATOM 0 HA THR A 2 5.640 -15.275 -1.884 1.00 0.00 H new ATOM 0 HB THR A 2 5.170 -17.514 0.134 1.00 0.00 H new ATOM 0 HG1 THR A 2 7.184 -18.407 -0.762 1.00 0.00 H new ATOM 0 HG21 THR A 2 5.116 -18.906 -1.887 1.00 0.00 H new ATOM 0 HG22 THR A 2 3.926 -17.587 -1.988 1.00 0.00 H new ATOM 0 HG23 THR A 2 5.457 -17.475 -2.889 1.00 0.00 H new ATOM 27 N LYS A 3 3.683 -14.758 0.607 1.00 0.00 N ATOM 28 CA LYS A 3 2.326 -14.274 0.843 1.00 0.00 C ATOM 29 C LYS A 3 2.287 -13.286 1.911 1.00 0.00 C ATOM 30 O LYS A 3 3.187 -13.226 2.737 1.00 0.00 O ATOM 31 CB LYS A 3 1.226 -15.366 1.028 1.00 0.00 C ATOM 32 CG LYS A 3 1.502 -16.472 2.045 1.00 0.00 C ATOM 33 CD LYS A 3 2.518 -17.510 1.550 1.00 0.00 C ATOM 34 CE LYS A 3 1.977 -18.456 0.453 1.00 0.00 C ATOM 35 NZ LYS A 3 1.532 -17.781 -0.802 1.00 0.00 N ATOM 0 H LYS A 3 4.308 -14.731 1.412 1.00 0.00 H new ATOM 0 HA LYS A 3 2.056 -13.794 -0.098 1.00 0.00 H new ATOM 0 HB2 LYS A 3 0.300 -14.867 1.315 1.00 0.00 H new ATOM 0 HB3 LYS A 3 1.049 -15.834 0.060 1.00 0.00 H new ATOM 0 HG2 LYS A 3 1.871 -16.024 2.968 1.00 0.00 H new ATOM 0 HG3 LYS A 3 0.566 -16.976 2.287 1.00 0.00 H new ATOM 0 HD2 LYS A 3 3.394 -16.989 1.164 1.00 0.00 H new ATOM 0 HD3 LYS A 3 2.851 -18.109 2.398 1.00 0.00 H new ATOM 0 HE2 LYS A 3 2.754 -19.179 0.203 1.00 0.00 H new ATOM 0 HE3 LYS A 3 1.138 -19.019 0.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 1.702 -18.409 -1.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 0.517 -17.565 -0.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 2.067 -16.898 -0.930 1.00 0.00 H new ATOM 49 N ALA A 4 1.262 -12.507 1.903 1.00 0.00 N ATOM 50 CA ALA A 4 1.132 -11.458 2.817 1.00 0.00 C ATOM 51 C ALA A 4 -0.291 -11.294 3.173 1.00 0.00 C ATOM 52 O ALA A 4 -1.155 -11.691 2.416 1.00 0.00 O ATOM 53 CB ALA A 4 1.704 -10.197 2.218 1.00 0.00 C ATOM 0 H ALA A 4 0.486 -12.593 1.246 1.00 0.00 H new ATOM 0 HA ALA A 4 1.686 -11.679 3.729 1.00 0.00 H new ATOM 0 HB1 ALA A 4 1.603 -9.378 2.930 1.00 0.00 H new ATOM 0 HB2 ALA A 4 2.758 -10.350 1.987 1.00 0.00 H new ATOM 0 HB3 ALA A 4 1.164 -9.951 1.303 1.00 0.00 H new ATOM 59 N VAL A 5 -0.540 -10.775 4.333 1.00 0.00 N ATOM 60 CA VAL A 5 -1.872 -10.514 4.745 1.00 0.00 C ATOM 61 C VAL A 5 -1.945 -9.108 5.303 1.00 0.00 C ATOM 62 O VAL A 5 -1.068 -8.660 6.066 1.00 0.00 O ATOM 63 CB VAL A 5 -2.459 -11.563 5.766 1.00 0.00 C ATOM 64 CG1 VAL A 5 -2.386 -12.991 5.242 1.00 0.00 C ATOM 65 CG2 VAL A 5 -1.840 -11.453 7.152 1.00 0.00 C ATOM 0 H VAL A 5 0.175 -10.523 5.015 1.00 0.00 H new ATOM 0 HA VAL A 5 -2.503 -10.611 3.862 1.00 0.00 H new ATOM 0 HB VAL A 5 -3.514 -11.308 5.869 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -2.803 -13.672 5.984 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -2.957 -13.069 4.316 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -1.346 -13.256 5.050 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -2.284 -12.200 7.809 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -0.765 -11.622 7.085 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -2.026 -10.458 7.556 1.00 0.00 H new ATOM 75 N ALA A 6 -2.908 -8.411 4.855 1.00 0.00 N ATOM 76 CA ALA A 6 -3.171 -7.058 5.299 1.00 0.00 C ATOM 77 C ALA A 6 -4.429 -7.038 6.154 1.00 0.00 C ATOM 78 O ALA A 6 -5.406 -7.699 5.822 1.00 0.00 O ATOM 79 CB ALA A 6 -3.344 -6.148 4.094 1.00 0.00 C ATOM 0 H ALA A 6 -3.565 -8.749 4.152 1.00 0.00 H new ATOM 0 HA ALA A 6 -2.330 -6.701 5.894 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -3.542 -5.131 4.432 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -2.434 -6.161 3.495 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -4.181 -6.499 3.490 1.00 0.00 H new ATOM 85 N VAL A 7 -4.388 -6.314 7.257 1.00 0.00 N ATOM 86 CA VAL A 7 -5.521 -6.183 8.142 1.00 0.00 C ATOM 87 C VAL A 7 -5.711 -4.713 8.537 1.00 0.00 C ATOM 88 O VAL A 7 -4.921 -4.139 9.271 1.00 0.00 O ATOM 89 CB VAL A 7 -5.413 -7.128 9.393 1.00 0.00 C ATOM 90 CG1 VAL A 7 -4.093 -6.947 10.145 1.00 0.00 C ATOM 91 CG2 VAL A 7 -6.600 -6.930 10.333 1.00 0.00 C ATOM 0 H VAL A 7 -3.562 -5.799 7.562 1.00 0.00 H new ATOM 0 HA VAL A 7 -6.412 -6.508 7.604 1.00 0.00 H new ATOM 0 HB VAL A 7 -5.433 -8.151 9.018 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -4.066 -7.622 11.001 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -3.261 -7.173 9.479 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -4.010 -5.917 10.492 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -6.500 -7.596 11.190 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -6.623 -5.896 10.677 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -7.525 -7.156 9.803 1.00 0.00 H new ATOM 101 N LEU A 8 -6.719 -4.111 7.984 1.00 0.00 N ATOM 102 CA LEU A 8 -7.011 -2.719 8.229 1.00 0.00 C ATOM 103 C LEU A 8 -8.301 -2.559 9.003 1.00 0.00 C ATOM 104 O LEU A 8 -9.262 -3.293 8.772 1.00 0.00 O ATOM 105 CB LEU A 8 -7.028 -1.879 6.918 1.00 0.00 C ATOM 106 CG LEU A 8 -7.887 -2.381 5.724 1.00 0.00 C ATOM 107 CD1 LEU A 8 -8.085 -1.258 4.727 1.00 0.00 C ATOM 108 CD2 LEU A 8 -7.206 -3.540 4.999 1.00 0.00 C ATOM 0 H LEU A 8 -7.370 -4.568 7.345 1.00 0.00 H new ATOM 0 HA LEU A 8 -6.200 -2.327 8.843 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -7.369 -0.875 7.172 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -5.999 -1.787 6.570 1.00 0.00 H new ATOM 0 HG LEU A 8 -8.843 -2.718 6.126 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -8.688 -1.615 3.892 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -8.595 -0.426 5.213 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -7.115 -0.924 4.358 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -7.832 -3.868 4.169 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -6.239 -3.212 4.617 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -7.060 -4.368 5.693 1.00 0.00 H new ATOM 120 N LYS A 9 -8.306 -1.616 9.935 1.00 0.00 N ATOM 121 CA LYS A 9 -9.449 -1.329 10.776 1.00 0.00 C ATOM 122 C LYS A 9 -9.468 0.166 11.012 1.00 0.00 C ATOM 123 O LYS A 9 -8.475 0.730 11.479 1.00 0.00 O ATOM 124 CB LYS A 9 -9.370 -2.093 12.125 1.00 0.00 C ATOM 125 CG LYS A 9 -9.295 -3.615 11.979 1.00 0.00 C ATOM 126 CD LYS A 9 -9.366 -4.350 13.310 1.00 0.00 C ATOM 127 CE LYS A 9 -10.717 -4.164 13.987 1.00 0.00 C ATOM 128 NZ LYS A 9 -10.845 -5.005 15.190 1.00 0.00 N ATOM 0 H LYS A 9 -7.500 -1.021 10.127 1.00 0.00 H new ATOM 0 HA LYS A 9 -10.365 -1.658 10.285 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -8.494 -1.748 12.675 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -10.244 -1.839 12.726 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -10.112 -3.953 11.341 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -8.366 -3.880 11.474 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -9.183 -5.412 13.149 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -8.577 -3.987 13.968 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -10.846 -3.117 14.260 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -11.513 -4.411 13.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -11.778 -4.851 15.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -10.747 -6.006 14.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -10.101 -4.752 15.871 1.00 0.00 H new ATOM 142 N GLY A 10 -10.551 0.814 10.677 1.00 0.00 N ATOM 143 CA GLY A 10 -10.582 2.244 10.776 1.00 0.00 C ATOM 144 C GLY A 10 -11.803 2.775 11.472 1.00 0.00 C ATOM 145 O GLY A 10 -12.535 2.036 12.134 1.00 0.00 O ATOM 0 H GLY A 10 -11.410 0.381 10.338 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -9.694 2.582 11.311 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -10.532 2.670 9.774 1.00 0.00 H new ATOM 149 N ASP A 11 -12.003 4.062 11.316 1.00 0.00 N ATOM 150 CA ASP A 11 -13.156 4.748 11.866 1.00 0.00 C ATOM 151 C ASP A 11 -14.334 4.382 11.013 1.00 0.00 C ATOM 152 O ASP A 11 -15.428 4.094 11.508 1.00 0.00 O ATOM 153 CB ASP A 11 -12.949 6.272 11.879 1.00 0.00 C ATOM 154 CG ASP A 11 -11.703 6.683 12.632 1.00 0.00 C ATOM 155 OD1 ASP A 11 -11.661 6.542 13.866 1.00 0.00 O ATOM 156 OD2 ASP A 11 -10.718 7.120 12.002 1.00 0.00 O ATOM 0 H ASP A 11 -11.367 4.671 10.800 1.00 0.00 H new ATOM 0 HA ASP A 11 -13.315 4.446 12.901 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -12.886 6.635 10.853 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -13.818 6.749 12.333 1.00 0.00 H new ATOM 161 N GLY A 12 -14.103 4.383 9.722 1.00 0.00 N ATOM 162 CA GLY A 12 -15.070 3.860 8.802 1.00 0.00 C ATOM 163 C GLY A 12 -14.677 2.435 8.544 1.00 0.00 C ATOM 164 O GLY A 12 -13.483 2.117 8.714 1.00 0.00 O ATOM 0 H GLY A 12 -13.252 4.742 9.290 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -16.075 3.917 9.220 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -15.077 4.435 7.876 1.00 0.00 H new ATOM 168 N PRO A 13 -15.581 1.520 8.173 1.00 0.00 N ATOM 169 CA PRO A 13 -15.168 0.175 7.981 1.00 0.00 C ATOM 170 C PRO A 13 -14.466 0.050 6.665 1.00 0.00 C ATOM 171 O PRO A 13 -15.033 0.309 5.589 1.00 0.00 O ATOM 172 CB PRO A 13 -16.486 -0.622 7.955 1.00 0.00 C ATOM 173 CG PRO A 13 -17.568 0.381 8.210 1.00 0.00 C ATOM 174 CD PRO A 13 -16.980 1.713 7.884 1.00 0.00 C ATOM 0 HA PRO A 13 -14.482 -0.176 8.752 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -16.627 -1.115 6.993 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -16.487 -1.402 8.716 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -18.442 0.178 7.591 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -17.898 0.344 9.248 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -17.145 1.984 6.841 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -17.414 2.507 8.492 1.00 0.00 H new ATOM 182 N VAL A 14 -13.276 -0.388 6.767 1.00 0.00 N ATOM 183 CA VAL A 14 -12.405 -0.607 5.701 1.00 0.00 C ATOM 184 C VAL A 14 -11.822 -1.952 5.945 1.00 0.00 C ATOM 185 O VAL A 14 -11.325 -2.216 7.041 1.00 0.00 O ATOM 186 CB VAL A 14 -11.296 0.504 5.609 1.00 0.00 C ATOM 187 CG1 VAL A 14 -11.908 1.836 5.206 1.00 0.00 C ATOM 188 CG2 VAL A 14 -10.556 0.679 6.939 1.00 0.00 C ATOM 0 H VAL A 14 -12.859 -0.619 7.669 1.00 0.00 H new ATOM 0 HA VAL A 14 -12.925 -0.561 4.744 1.00 0.00 H new ATOM 0 HB VAL A 14 -10.582 0.179 4.853 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -11.126 2.593 5.147 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -12.390 1.736 4.233 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -12.648 2.136 5.948 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -9.798 1.455 6.834 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -11.265 0.967 7.715 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -10.077 -0.260 7.215 1.00 0.00 H new ATOM 198 N GLN A 15 -11.924 -2.814 5.031 1.00 0.00 N ATOM 199 CA GLN A 15 -11.396 -4.124 5.254 1.00 0.00 C ATOM 200 C GLN A 15 -10.963 -4.684 3.941 1.00 0.00 C ATOM 201 O GLN A 15 -11.590 -4.422 2.930 1.00 0.00 O ATOM 202 CB GLN A 15 -12.447 -5.024 5.913 1.00 0.00 C ATOM 203 CG GLN A 15 -11.907 -6.339 6.447 1.00 0.00 C ATOM 204 CD GLN A 15 -12.998 -7.216 7.013 1.00 0.00 C ATOM 205 OE1 GLN A 15 -14.145 -7.185 6.549 1.00 0.00 O ATOM 206 NE2 GLN A 15 -12.681 -7.976 8.014 1.00 0.00 N ATOM 0 H GLN A 15 -12.360 -2.661 4.122 1.00 0.00 H new ATOM 0 HA GLN A 15 -10.543 -4.072 5.930 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -12.912 -4.477 6.733 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -13.231 -5.236 5.187 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -11.394 -6.871 5.646 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -11.166 -6.138 7.221 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -11.726 -7.977 8.371 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -13.387 -8.573 8.444 1.00 0.00 H new ATOM 215 N GLY A 16 -9.895 -5.399 3.934 1.00 0.00 N ATOM 216 CA GLY A 16 -9.425 -5.962 2.739 1.00 0.00 C ATOM 217 C GLY A 16 -8.339 -6.911 3.022 1.00 0.00 C ATOM 218 O GLY A 16 -7.826 -6.929 4.129 1.00 0.00 O ATOM 0 H GLY A 16 -9.331 -5.604 4.758 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -10.239 -6.472 2.223 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -9.068 -5.176 2.073 1.00 0.00 H new ATOM 222 N ILE A 17 -7.989 -7.698 2.056 1.00 0.00 N ATOM 223 CA ILE A 17 -6.934 -8.670 2.207 1.00 0.00 C ATOM 224 C ILE A 17 -6.022 -8.619 1.010 1.00 0.00 C ATOM 225 O ILE A 17 -6.384 -9.044 -0.081 1.00 0.00 O ATOM 226 CB ILE A 17 -7.462 -10.121 2.460 1.00 0.00 C ATOM 227 CG1 ILE A 17 -8.600 -10.500 1.478 1.00 0.00 C ATOM 228 CG2 ILE A 17 -7.893 -10.294 3.912 1.00 0.00 C ATOM 229 CD1 ILE A 17 -9.132 -11.912 1.651 1.00 0.00 C ATOM 0 H ILE A 17 -8.423 -7.691 1.133 1.00 0.00 H new ATOM 0 HA ILE A 17 -6.372 -8.404 3.102 1.00 0.00 H new ATOM 0 HB ILE A 17 -6.639 -10.810 2.270 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -9.423 -9.796 1.605 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -8.236 -10.384 0.457 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -8.257 -11.310 4.065 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -7.042 -10.110 4.568 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -8.689 -9.585 4.142 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -9.925 -12.094 0.925 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -8.324 -12.627 1.493 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -9.529 -12.030 2.659 1.00 0.00 H new ATOM 241 N ILE A 18 -4.880 -8.010 1.196 1.00 0.00 N ATOM 242 CA ILE A 18 -3.906 -7.879 0.131 1.00 0.00 C ATOM 243 C ILE A 18 -2.787 -8.901 0.368 1.00 0.00 C ATOM 244 O ILE A 18 -2.236 -8.966 1.467 1.00 0.00 O ATOM 245 CB ILE A 18 -3.293 -6.416 0.033 1.00 0.00 C ATOM 246 CG1 ILE A 18 -4.367 -5.312 -0.213 1.00 0.00 C ATOM 247 CG2 ILE A 18 -2.256 -6.345 -1.074 1.00 0.00 C ATOM 248 CD1 ILE A 18 -5.256 -4.968 0.974 1.00 0.00 C ATOM 0 H ILE A 18 -4.595 -7.592 2.082 1.00 0.00 H new ATOM 0 HA ILE A 18 -4.413 -8.066 -0.816 1.00 0.00 H new ATOM 0 HB ILE A 18 -2.833 -6.221 1.002 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -3.858 -4.404 -0.535 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -5.004 -5.630 -1.038 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -1.848 -5.336 -1.126 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -1.452 -7.051 -0.866 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -2.723 -6.597 -2.026 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -5.963 -4.190 0.686 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -5.803 -5.857 1.288 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -4.639 -4.611 1.799 1.00 0.00 H new ATOM 260 N ASN A 19 -2.490 -9.714 -0.629 1.00 0.00 N ATOM 261 CA ASN A 19 -1.465 -10.731 -0.507 1.00 0.00 C ATOM 262 C ASN A 19 -0.471 -10.561 -1.614 1.00 0.00 C ATOM 263 O ASN A 19 -0.858 -10.537 -2.771 1.00 0.00 O ATOM 264 CB ASN A 19 -2.069 -12.171 -0.504 1.00 0.00 C ATOM 265 CG ASN A 19 -2.925 -12.522 -1.726 1.00 0.00 C ATOM 266 OD1 ASN A 19 -2.421 -12.994 -2.742 1.00 0.00 O ATOM 267 ND2 ASN A 19 -4.219 -12.330 -1.622 1.00 0.00 N ATOM 0 H ASN A 19 -2.949 -9.688 -1.539 1.00 0.00 H new ATOM 0 HA ASN A 19 -0.963 -10.606 0.452 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -1.253 -12.890 -0.434 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -2.677 -12.291 0.392 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -4.835 -12.575 -2.397 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -4.609 -11.936 -0.766 1.00 0.00 H new ATOM 274 N PHE A 20 0.800 -10.379 -1.274 1.00 0.00 N ATOM 275 CA PHE A 20 1.816 -10.159 -2.306 1.00 0.00 C ATOM 276 C PHE A 20 3.012 -11.084 -2.186 1.00 0.00 C ATOM 277 O PHE A 20 3.618 -11.202 -1.109 1.00 0.00 O ATOM 278 CB PHE A 20 2.250 -8.671 -2.356 1.00 0.00 C ATOM 279 CG PHE A 20 2.413 -8.032 -1.005 1.00 0.00 C ATOM 280 CD1 PHE A 20 1.320 -7.472 -0.373 1.00 0.00 C ATOM 281 CD2 PHE A 20 3.631 -8.003 -0.367 1.00 0.00 C ATOM 282 CE1 PHE A 20 1.433 -6.903 0.865 1.00 0.00 C ATOM 283 CE2 PHE A 20 3.755 -7.436 0.876 1.00 0.00 C ATOM 284 CZ PHE A 20 2.649 -6.882 1.494 1.00 0.00 C ATOM 0 H PHE A 20 1.150 -10.378 -0.316 1.00 0.00 H new ATOM 0 HA PHE A 20 1.343 -10.411 -3.255 1.00 0.00 H new ATOM 0 HB2 PHE A 20 3.193 -8.597 -2.897 1.00 0.00 H new ATOM 0 HB3 PHE A 20 1.511 -8.107 -2.926 1.00 0.00 H new ATOM 0 HD1 PHE A 20 0.359 -7.484 -0.866 1.00 0.00 H new ATOM 0 HD2 PHE A 20 4.498 -8.431 -0.849 1.00 0.00 H new ATOM 0 HE1 PHE A 20 0.567 -6.472 1.345 1.00 0.00 H new ATOM 0 HE2 PHE A 20 4.715 -7.422 1.371 1.00 0.00 H new ATOM 0 HZ PHE A 20 2.744 -6.433 2.472 1.00 0.00 H new ATOM 294 N GLU A 21 3.339 -11.741 -3.292 1.00 0.00 N ATOM 295 CA GLU A 21 4.497 -12.613 -3.374 1.00 0.00 C ATOM 296 C GLU A 21 5.627 -11.986 -4.197 1.00 0.00 C ATOM 297 O GLU A 21 5.524 -11.827 -5.418 1.00 0.00 O ATOM 298 CB GLU A 21 4.130 -14.024 -3.888 1.00 0.00 C ATOM 299 CG GLU A 21 3.338 -14.086 -5.177 1.00 0.00 C ATOM 300 CD GLU A 21 3.056 -15.505 -5.632 1.00 0.00 C ATOM 301 OE1 GLU A 21 2.220 -16.204 -5.027 1.00 0.00 O ATOM 302 OE2 GLU A 21 3.622 -15.935 -6.655 1.00 0.00 O ATOM 0 H GLU A 21 2.805 -11.682 -4.159 1.00 0.00 H new ATOM 0 HA GLU A 21 4.869 -12.734 -2.357 1.00 0.00 H new ATOM 0 HB2 GLU A 21 5.053 -14.588 -4.026 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.559 -14.533 -3.111 1.00 0.00 H new ATOM 0 HG2 GLU A 21 2.393 -13.559 -5.042 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.887 -13.562 -5.960 1.00 0.00 H new ATOM 309 N GLN A 22 6.678 -11.607 -3.508 1.00 0.00 N ATOM 310 CA GLN A 22 7.842 -10.998 -4.083 1.00 0.00 C ATOM 311 C GLN A 22 9.068 -11.783 -3.660 1.00 0.00 C ATOM 312 O GLN A 22 9.018 -12.560 -2.698 1.00 0.00 O ATOM 313 CB GLN A 22 8.001 -9.540 -3.581 1.00 0.00 C ATOM 314 CG GLN A 22 8.377 -9.388 -2.090 1.00 0.00 C ATOM 315 CD GLN A 22 7.309 -9.878 -1.103 1.00 0.00 C ATOM 316 OE1 GLN A 22 7.622 -10.374 -0.016 1.00 0.00 O ATOM 317 NE2 GLN A 22 6.065 -9.695 -1.441 1.00 0.00 N ATOM 0 H GLN A 22 6.743 -11.721 -2.496 1.00 0.00 H new ATOM 0 HA GLN A 22 7.734 -10.996 -5.168 1.00 0.00 H new ATOM 0 HB2 GLN A 22 8.765 -9.048 -4.183 1.00 0.00 H new ATOM 0 HB3 GLN A 22 7.066 -9.009 -3.758 1.00 0.00 H new ATOM 0 HG2 GLN A 22 9.301 -9.936 -1.905 1.00 0.00 H new ATOM 0 HG3 GLN A 22 8.584 -8.337 -1.887 1.00 0.00 H new ATOM 0 HE21 GLN A 22 5.838 -9.283 -2.346 1.00 0.00 H new ATOM 0 HE22 GLN A 22 5.318 -9.964 -0.801 1.00 0.00 H new ATOM 326 N LYS A 23 10.140 -11.595 -4.362 1.00 0.00 N ATOM 327 CA LYS A 23 11.393 -12.176 -3.998 1.00 0.00 C ATOM 328 C LYS A 23 12.483 -11.297 -4.577 1.00 0.00 C ATOM 329 O LYS A 23 12.282 -10.675 -5.628 1.00 0.00 O ATOM 330 CB LYS A 23 11.525 -13.626 -4.507 1.00 0.00 C ATOM 331 CG LYS A 23 12.736 -14.341 -3.931 1.00 0.00 C ATOM 332 CD LYS A 23 12.915 -15.736 -4.481 1.00 0.00 C ATOM 333 CE LYS A 23 14.178 -16.357 -3.906 1.00 0.00 C ATOM 334 NZ LYS A 23 14.516 -17.653 -4.524 1.00 0.00 N ATOM 0 H LYS A 23 10.171 -11.030 -5.210 1.00 0.00 H new ATOM 0 HA LYS A 23 11.474 -12.229 -2.912 1.00 0.00 H new ATOM 0 HB2 LYS A 23 10.623 -14.181 -4.248 1.00 0.00 H new ATOM 0 HB3 LYS A 23 11.595 -13.620 -5.595 1.00 0.00 H new ATOM 0 HG2 LYS A 23 13.631 -13.756 -4.142 1.00 0.00 H new ATOM 0 HG3 LYS A 23 12.638 -14.394 -2.847 1.00 0.00 H new ATOM 0 HD2 LYS A 23 12.050 -16.350 -4.230 1.00 0.00 H new ATOM 0 HD3 LYS A 23 12.977 -15.703 -5.569 1.00 0.00 H new ATOM 0 HE2 LYS A 23 15.011 -15.667 -4.044 1.00 0.00 H new ATOM 0 HE3 LYS A 23 14.052 -16.495 -2.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 15.385 -18.027 -4.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 13.736 -18.324 -4.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 14.665 -17.522 -5.545 1.00 0.00 H new ATOM 348 N GLU A 24 13.624 -11.239 -3.911 1.00 0.00 N ATOM 349 CA GLU A 24 14.748 -10.398 -4.334 1.00 0.00 C ATOM 350 C GLU A 24 15.365 -10.862 -5.664 1.00 0.00 C ATOM 351 O GLU A 24 16.206 -10.172 -6.249 1.00 0.00 O ATOM 352 CB GLU A 24 15.795 -10.293 -3.225 1.00 0.00 C ATOM 353 CG GLU A 24 15.256 -9.635 -1.959 1.00 0.00 C ATOM 354 CD GLU A 24 16.292 -9.497 -0.881 1.00 0.00 C ATOM 355 OE1 GLU A 24 16.458 -10.432 -0.058 1.00 0.00 O ATOM 356 OE2 GLU A 24 16.966 -8.453 -0.826 1.00 0.00 O ATOM 0 H GLU A 24 13.804 -11.772 -3.060 1.00 0.00 H new ATOM 0 HA GLU A 24 14.352 -9.399 -4.519 1.00 0.00 H new ATOM 0 HB2 GLU A 24 16.161 -11.291 -2.982 1.00 0.00 H new ATOM 0 HB3 GLU A 24 16.648 -9.721 -3.591 1.00 0.00 H new ATOM 0 HG2 GLU A 24 14.865 -8.648 -2.208 1.00 0.00 H new ATOM 0 HG3 GLU A 24 14.420 -10.222 -1.579 1.00 0.00 H new ATOM 363 N SER A 25 14.939 -12.021 -6.126 1.00 0.00 N ATOM 364 CA SER A 25 15.361 -12.585 -7.390 1.00 0.00 C ATOM 365 C SER A 25 14.781 -11.797 -8.589 1.00 0.00 C ATOM 366 O SER A 25 15.143 -12.069 -9.737 1.00 0.00 O ATOM 367 CB SER A 25 14.936 -14.040 -7.445 1.00 0.00 C ATOM 368 OG SER A 25 15.399 -14.722 -6.298 1.00 0.00 O ATOM 0 H SER A 25 14.275 -12.608 -5.621 1.00 0.00 H new ATOM 0 HA SER A 25 16.446 -12.516 -7.462 1.00 0.00 H new ATOM 0 HB2 SER A 25 13.850 -14.108 -7.505 1.00 0.00 H new ATOM 0 HB3 SER A 25 15.335 -14.510 -8.344 1.00 0.00 H new ATOM 0 HG SER A 25 15.119 -15.660 -6.340 1.00 0.00 H new ATOM 374 N ASN A 26 13.853 -10.853 -8.299 1.00 0.00 N ATOM 375 CA ASN A 26 13.213 -9.967 -9.305 1.00 0.00 C ATOM 376 C ASN A 26 12.168 -10.717 -10.112 1.00 0.00 C ATOM 377 O ASN A 26 12.476 -11.668 -10.857 1.00 0.00 O ATOM 378 CB ASN A 26 14.271 -9.292 -10.238 1.00 0.00 C ATOM 379 CG ASN A 26 13.716 -8.285 -11.269 1.00 0.00 C ATOM 380 OD1 ASN A 26 12.583 -8.375 -11.746 1.00 0.00 O ATOM 381 ND2 ASN A 26 14.536 -7.323 -11.629 1.00 0.00 N ATOM 0 H ASN A 26 13.523 -10.683 -7.349 1.00 0.00 H new ATOM 0 HA ASN A 26 12.706 -9.171 -8.760 1.00 0.00 H new ATOM 0 HB2 ASN A 26 15.002 -8.778 -9.614 1.00 0.00 H new ATOM 0 HB3 ASN A 26 14.805 -10.075 -10.775 1.00 0.00 H new ATOM 0 HD21 ASN A 26 14.239 -6.631 -12.317 1.00 0.00 H new ATOM 0 HD22 ASN A 26 15.469 -7.269 -11.221 1.00 0.00 H new ATOM 388 N GLY A 27 10.943 -10.300 -9.953 1.00 0.00 N ATOM 389 CA GLY A 27 9.854 -10.874 -10.669 1.00 0.00 C ATOM 390 C GLY A 27 8.584 -10.152 -10.321 1.00 0.00 C ATOM 391 O GLY A 27 8.488 -9.616 -9.212 1.00 0.00 O ATOM 0 H GLY A 27 10.677 -9.548 -9.318 1.00 0.00 H new ATOM 0 HA2 GLY A 27 10.038 -10.811 -11.742 1.00 0.00 H new ATOM 0 HA3 GLY A 27 9.762 -11.932 -10.423 1.00 0.00 H new ATOM 395 N PRO A 28 7.601 -10.084 -11.243 1.00 0.00 N ATOM 396 CA PRO A 28 6.316 -9.430 -10.980 1.00 0.00 C ATOM 397 C PRO A 28 5.646 -10.061 -9.777 1.00 0.00 C ATOM 398 O PRO A 28 5.579 -11.303 -9.672 1.00 0.00 O ATOM 399 CB PRO A 28 5.495 -9.722 -12.243 1.00 0.00 C ATOM 400 CG PRO A 28 6.503 -9.992 -13.300 1.00 0.00 C ATOM 401 CD PRO A 28 7.664 -10.641 -12.607 1.00 0.00 C ATOM 0 HA PRO A 28 6.418 -8.365 -10.769 1.00 0.00 H new ATOM 0 HB2 PRO A 28 4.837 -10.578 -12.097 1.00 0.00 H new ATOM 0 HB3 PRO A 28 4.862 -8.875 -12.508 1.00 0.00 H new ATOM 0 HG2 PRO A 28 6.094 -10.645 -14.071 1.00 0.00 H new ATOM 0 HG3 PRO A 28 6.809 -9.069 -13.793 1.00 0.00 H new ATOM 0 HD2 PRO A 28 7.573 -11.727 -12.602 1.00 0.00 H new ATOM 0 HD3 PRO A 28 8.609 -10.402 -13.096 1.00 0.00 H new ATOM 409 N VAL A 29 5.181 -9.259 -8.853 1.00 0.00 N ATOM 410 CA VAL A 29 4.585 -9.821 -7.703 1.00 0.00 C ATOM 411 C VAL A 29 3.146 -10.154 -7.998 1.00 0.00 C ATOM 412 O VAL A 29 2.395 -9.353 -8.570 1.00 0.00 O ATOM 413 CB VAL A 29 4.731 -8.959 -6.395 1.00 0.00 C ATOM 414 CG1 VAL A 29 6.139 -8.416 -6.245 1.00 0.00 C ATOM 415 CG2 VAL A 29 3.704 -7.854 -6.267 1.00 0.00 C ATOM 0 H VAL A 29 5.209 -8.240 -8.885 1.00 0.00 H new ATOM 0 HA VAL A 29 5.139 -10.732 -7.478 1.00 0.00 H new ATOM 0 HB VAL A 29 4.531 -9.645 -5.572 1.00 0.00 H new ATOM 0 HG11 VAL A 29 6.206 -7.825 -5.331 1.00 0.00 H new ATOM 0 HG12 VAL A 29 6.845 -9.245 -6.193 1.00 0.00 H new ATOM 0 HG13 VAL A 29 6.380 -7.787 -7.102 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.872 -7.306 -5.340 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.796 -7.172 -7.113 1.00 0.00 H new ATOM 0 HG23 VAL A 29 2.704 -8.287 -6.256 1.00 0.00 H new ATOM 425 N LYS A 30 2.803 -11.351 -7.706 1.00 0.00 N ATOM 426 CA LYS A 30 1.467 -11.802 -7.851 1.00 0.00 C ATOM 427 C LYS A 30 0.771 -11.427 -6.601 1.00 0.00 C ATOM 428 O LYS A 30 1.119 -11.881 -5.504 1.00 0.00 O ATOM 429 CB LYS A 30 1.469 -13.277 -8.127 1.00 0.00 C ATOM 430 CG LYS A 30 2.115 -13.565 -9.469 1.00 0.00 C ATOM 431 CD LYS A 30 2.728 -14.952 -9.598 1.00 0.00 C ATOM 432 CE LYS A 30 1.750 -16.115 -9.479 1.00 0.00 C ATOM 433 NZ LYS A 30 1.323 -16.374 -8.097 1.00 0.00 N ATOM 0 H LYS A 30 3.449 -12.058 -7.354 1.00 0.00 H new ATOM 0 HA LYS A 30 0.945 -11.348 -8.693 1.00 0.00 H new ATOM 0 HB2 LYS A 30 2.008 -13.800 -7.337 1.00 0.00 H new ATOM 0 HB3 LYS A 30 0.447 -13.656 -8.120 1.00 0.00 H new ATOM 0 HG2 LYS A 30 1.366 -13.440 -10.251 1.00 0.00 H new ATOM 0 HG3 LYS A 30 2.892 -12.822 -9.650 1.00 0.00 H new ATOM 0 HD2 LYS A 30 3.230 -15.020 -10.563 1.00 0.00 H new ATOM 0 HD3 LYS A 30 3.494 -15.064 -8.831 1.00 0.00 H new ATOM 0 HE2 LYS A 30 0.872 -15.907 -10.091 1.00 0.00 H new ATOM 0 HE3 LYS A 30 2.214 -17.014 -9.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 0.814 -17.280 -8.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 2.158 -16.417 -7.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 0.695 -15.609 -7.778 1.00 0.00 H new ATOM 447 N VAL A 31 -0.121 -10.542 -6.743 1.00 0.00 N ATOM 448 CA VAL A 31 -0.720 -9.900 -5.645 1.00 0.00 C ATOM 449 C VAL A 31 -2.197 -9.788 -5.876 1.00 0.00 C ATOM 450 O VAL A 31 -2.635 -9.541 -6.988 1.00 0.00 O ATOM 451 CB VAL A 31 -0.050 -8.487 -5.418 1.00 0.00 C ATOM 452 CG1 VAL A 31 -0.122 -7.600 -6.656 1.00 0.00 C ATOM 453 CG2 VAL A 31 -0.628 -7.765 -4.230 1.00 0.00 C ATOM 0 H VAL A 31 -0.469 -10.230 -7.650 1.00 0.00 H new ATOM 0 HA VAL A 31 -0.565 -10.486 -4.739 1.00 0.00 H new ATOM 0 HB VAL A 31 1.001 -8.692 -5.213 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.353 -6.642 -6.445 1.00 0.00 H new ATOM 0 HG12 VAL A 31 0.395 -8.087 -7.483 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -1.165 -7.436 -6.926 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.135 -6.800 -4.116 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.696 -7.611 -4.382 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.472 -8.361 -3.331 1.00 0.00 H new ATOM 463 N TRP A 32 -2.950 -10.029 -4.873 1.00 0.00 N ATOM 464 CA TRP A 32 -4.359 -9.916 -4.988 1.00 0.00 C ATOM 465 C TRP A 32 -4.895 -9.199 -3.765 1.00 0.00 C ATOM 466 O TRP A 32 -4.461 -9.490 -2.652 1.00 0.00 O ATOM 467 CB TRP A 32 -4.983 -11.311 -5.120 1.00 0.00 C ATOM 468 CG TRP A 32 -6.409 -11.273 -5.533 1.00 0.00 C ATOM 469 CD1 TRP A 32 -7.499 -11.121 -4.728 1.00 0.00 C ATOM 470 CD2 TRP A 32 -6.905 -11.378 -6.868 1.00 0.00 C ATOM 471 NE1 TRP A 32 -8.635 -11.110 -5.483 1.00 0.00 N ATOM 472 CE2 TRP A 32 -8.301 -11.273 -6.801 1.00 0.00 C ATOM 473 CE3 TRP A 32 -6.302 -11.550 -8.113 1.00 0.00 C ATOM 474 CZ2 TRP A 32 -9.107 -11.329 -7.935 1.00 0.00 C ATOM 475 CZ3 TRP A 32 -7.100 -11.607 -9.235 1.00 0.00 C ATOM 476 CH2 TRP A 32 -8.489 -11.498 -9.139 1.00 0.00 C ATOM 0 H TRP A 32 -2.614 -10.309 -3.951 1.00 0.00 H new ATOM 0 HA TRP A 32 -4.618 -9.343 -5.878 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -4.415 -11.889 -5.849 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -4.901 -11.831 -4.166 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -7.468 -11.024 -3.653 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -9.583 -10.998 -5.123 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -5.229 -11.637 -8.197 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -10.181 -11.242 -7.864 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -6.644 -11.738 -10.205 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -9.086 -11.549 -10.037 1.00 0.00 H new ATOM 487 N GLY A 33 -5.747 -8.213 -3.966 1.00 0.00 N ATOM 488 CA GLY A 33 -6.387 -7.595 -2.834 1.00 0.00 C ATOM 489 C GLY A 33 -7.746 -7.023 -3.164 1.00 0.00 C ATOM 490 O GLY A 33 -7.952 -6.460 -4.213 1.00 0.00 O ATOM 0 H GLY A 33 -6.004 -7.834 -4.878 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -6.492 -8.331 -2.037 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -5.747 -6.800 -2.451 1.00 0.00 H new ATOM 494 N SER A 34 -8.660 -7.207 -2.286 1.00 0.00 N ATOM 495 CA SER A 34 -9.964 -6.685 -2.390 1.00 0.00 C ATOM 496 C SER A 34 -10.147 -5.717 -1.229 1.00 0.00 C ATOM 497 O SER A 34 -9.617 -5.985 -0.158 1.00 0.00 O ATOM 498 CB SER A 34 -10.912 -7.862 -2.330 1.00 0.00 C ATOM 499 OG SER A 34 -10.549 -8.840 -3.311 1.00 0.00 O ATOM 0 H SER A 34 -8.509 -7.752 -1.437 1.00 0.00 H new ATOM 0 HA SER A 34 -10.153 -6.142 -3.316 1.00 0.00 H new ATOM 0 HB2 SER A 34 -10.888 -8.307 -1.335 1.00 0.00 H new ATOM 0 HB3 SER A 34 -11.934 -7.524 -2.503 1.00 0.00 H new ATOM 0 HG SER A 34 -11.168 -9.598 -3.262 1.00 0.00 H new ATOM 505 N ILE A 35 -10.835 -4.617 -1.427 1.00 0.00 N ATOM 506 CA ILE A 35 -11.089 -3.662 -0.346 1.00 0.00 C ATOM 507 C ILE A 35 -12.568 -3.357 -0.285 1.00 0.00 C ATOM 508 O ILE A 35 -13.214 -3.251 -1.323 1.00 0.00 O ATOM 509 CB ILE A 35 -10.291 -2.311 -0.533 1.00 0.00 C ATOM 510 CG1 ILE A 35 -8.792 -2.560 -0.449 1.00 0.00 C ATOM 511 CG2 ILE A 35 -10.704 -1.252 0.501 1.00 0.00 C ATOM 512 CD1 ILE A 35 -7.931 -1.330 -0.680 1.00 0.00 C ATOM 0 H ILE A 35 -11.235 -4.350 -2.327 1.00 0.00 H new ATOM 0 HA ILE A 35 -10.748 -4.122 0.581 1.00 0.00 H new ATOM 0 HB ILE A 35 -10.538 -1.926 -1.522 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.560 -2.970 0.534 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -8.522 -3.319 -1.183 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -10.131 -0.340 0.336 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -11.767 -1.037 0.396 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -10.507 -1.628 1.505 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -6.879 -1.603 -0.601 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -8.129 -0.929 -1.674 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -8.167 -0.575 0.069 1.00 0.00 H new ATOM 524 N LYS A 36 -13.088 -3.272 0.906 1.00 0.00 N ATOM 525 CA LYS A 36 -14.416 -2.861 1.146 1.00 0.00 C ATOM 526 C LYS A 36 -14.313 -1.592 1.973 1.00 0.00 C ATOM 527 O LYS A 36 -13.459 -1.509 2.871 1.00 0.00 O ATOM 528 CB LYS A 36 -15.242 -3.964 1.824 1.00 0.00 C ATOM 529 CG LYS A 36 -14.746 -4.404 3.191 1.00 0.00 C ATOM 530 CD LYS A 36 -15.642 -5.465 3.815 1.00 0.00 C ATOM 531 CE LYS A 36 -17.030 -4.937 4.148 1.00 0.00 C ATOM 532 NZ LYS A 36 -17.867 -5.985 4.780 1.00 0.00 N ATOM 0 H LYS A 36 -12.571 -3.497 1.756 1.00 0.00 H new ATOM 0 HA LYS A 36 -14.952 -2.663 0.218 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -16.270 -3.615 1.924 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -15.264 -4.834 1.167 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -13.733 -4.795 3.099 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -14.695 -3.539 3.853 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -15.733 -6.308 3.129 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -15.173 -5.842 4.724 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -16.945 -4.082 4.819 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -17.514 -4.581 3.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -18.807 -5.596 4.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -17.967 -6.789 4.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -17.415 -6.306 5.660 1.00 0.00 H new ATOM 546 N GLY A 37 -15.131 -0.627 1.670 1.00 0.00 N ATOM 547 CA GLY A 37 -14.947 0.698 2.179 1.00 0.00 C ATOM 548 C GLY A 37 -16.206 1.505 2.079 1.00 0.00 C ATOM 549 O GLY A 37 -17.247 0.986 1.659 1.00 0.00 O ATOM 0 H GLY A 37 -15.944 -0.737 1.063 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -14.628 0.648 3.220 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -14.150 1.194 1.625 1.00 0.00 H new ATOM 553 N LEU A 38 -16.161 2.701 2.579 1.00 0.00 N ATOM 554 CA LEU A 38 -17.255 3.637 2.470 1.00 0.00 C ATOM 555 C LEU A 38 -17.384 4.073 0.986 1.00 0.00 C ATOM 556 O LEU A 38 -16.534 3.736 0.158 1.00 0.00 O ATOM 557 CB LEU A 38 -16.985 4.855 3.364 1.00 0.00 C ATOM 558 CG LEU A 38 -16.819 4.575 4.860 1.00 0.00 C ATOM 559 CD1 LEU A 38 -16.450 5.847 5.603 1.00 0.00 C ATOM 560 CD2 LEU A 38 -18.093 3.989 5.433 1.00 0.00 C ATOM 0 H LEU A 38 -15.354 3.067 3.084 1.00 0.00 H new ATOM 0 HA LEU A 38 -18.185 3.171 2.796 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -16.081 5.349 3.006 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -17.806 5.561 3.237 1.00 0.00 H new ATOM 0 HG LEU A 38 -16.013 3.852 4.985 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -16.336 5.628 6.665 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -15.511 6.238 5.211 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -17.237 6.589 5.468 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -17.958 3.796 6.497 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -18.913 4.694 5.293 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -18.326 3.055 4.921 1.00 0.00 H new ATOM 572 N THR A 39 -18.435 4.782 0.644 1.00 0.00 N ATOM 573 CA THR A 39 -18.658 5.155 -0.752 1.00 0.00 C ATOM 574 C THR A 39 -17.641 6.174 -1.247 1.00 0.00 C ATOM 575 O THR A 39 -17.703 7.304 -0.874 1.00 0.00 O ATOM 576 CB THR A 39 -20.128 5.737 -0.934 1.00 0.00 C ATOM 577 OG1 THR A 39 -20.318 6.285 -2.247 1.00 0.00 O ATOM 578 CG2 THR A 39 -20.486 6.803 0.111 1.00 0.00 C ATOM 0 H THR A 39 -19.146 5.113 1.296 1.00 0.00 H new ATOM 0 HA THR A 39 -18.538 4.251 -1.349 1.00 0.00 H new ATOM 0 HB THR A 39 -20.795 4.887 -0.791 1.00 0.00 H new ATOM 0 HG1 THR A 39 -21.231 6.633 -2.327 1.00 0.00 H new ATOM 0 HG21 THR A 39 -21.500 7.160 -0.067 1.00 0.00 H new ATOM 0 HG22 THR A 39 -20.424 6.369 1.109 1.00 0.00 H new ATOM 0 HG23 THR A 39 -19.789 7.637 0.034 1.00 0.00 H new ATOM 586 N GLU A 40 -16.764 5.741 -2.078 1.00 0.00 N ATOM 587 CA GLU A 40 -15.800 6.569 -2.752 1.00 0.00 C ATOM 588 C GLU A 40 -15.092 5.755 -3.737 1.00 0.00 C ATOM 589 O GLU A 40 -15.281 4.551 -3.790 1.00 0.00 O ATOM 590 CB GLU A 40 -14.778 7.320 -1.851 1.00 0.00 C ATOM 591 CG GLU A 40 -15.213 8.726 -1.445 1.00 0.00 C ATOM 592 CD GLU A 40 -14.102 9.549 -0.868 1.00 0.00 C ATOM 593 OE1 GLU A 40 -13.316 10.114 -1.651 1.00 0.00 O ATOM 594 OE2 GLU A 40 -14.001 9.683 0.367 1.00 0.00 O ATOM 0 H GLU A 40 -16.686 4.755 -2.326 1.00 0.00 H new ATOM 0 HA GLU A 40 -16.380 7.369 -3.212 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -14.605 6.732 -0.950 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -13.826 7.385 -2.378 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -15.620 9.238 -2.317 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -16.018 8.652 -0.714 1.00 0.00 H new ATOM 601 N GLY A 41 -14.324 6.408 -4.519 1.00 0.00 N ATOM 602 CA GLY A 41 -13.455 5.788 -5.452 1.00 0.00 C ATOM 603 C GLY A 41 -12.171 5.361 -4.755 1.00 0.00 C ATOM 604 O GLY A 41 -12.217 4.981 -3.615 1.00 0.00 O ATOM 0 H GLY A 41 -14.278 7.427 -4.532 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -13.943 4.921 -5.898 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -13.227 6.478 -6.264 1.00 0.00 H new ATOM 608 N LEU A 42 -11.060 5.410 -5.437 1.00 0.00 N ATOM 609 CA LEU A 42 -9.776 5.021 -4.918 1.00 0.00 C ATOM 610 C LEU A 42 -8.879 5.075 -6.114 1.00 0.00 C ATOM 611 O LEU A 42 -9.312 4.740 -7.229 1.00 0.00 O ATOM 612 CB LEU A 42 -9.798 3.577 -4.310 1.00 0.00 C ATOM 613 CG LEU A 42 -8.787 3.219 -3.206 1.00 0.00 C ATOM 614 CD1 LEU A 42 -9.067 1.826 -2.678 1.00 0.00 C ATOM 615 CD2 LEU A 42 -7.339 3.336 -3.666 1.00 0.00 C ATOM 0 H LEU A 42 -11.022 5.733 -6.404 1.00 0.00 H new ATOM 0 HA LEU A 42 -9.452 5.669 -4.104 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -10.797 3.403 -3.911 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -9.655 2.872 -5.129 1.00 0.00 H new ATOM 0 HG LEU A 42 -8.917 3.947 -2.405 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -8.347 1.581 -1.897 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -10.075 1.789 -2.266 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -8.980 1.105 -3.491 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -6.674 3.071 -2.844 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -7.168 2.660 -4.504 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -7.138 4.361 -3.979 1.00 0.00 H new ATOM 627 N HIS A 43 -7.712 5.543 -5.931 1.00 0.00 N ATOM 628 CA HIS A 43 -6.749 5.621 -6.990 1.00 0.00 C ATOM 629 C HIS A 43 -5.369 5.556 -6.399 1.00 0.00 C ATOM 630 O HIS A 43 -5.012 6.392 -5.601 1.00 0.00 O ATOM 631 CB HIS A 43 -6.962 6.933 -7.810 1.00 0.00 C ATOM 632 CG HIS A 43 -5.797 7.365 -8.675 1.00 0.00 C ATOM 633 ND1 HIS A 43 -5.593 6.941 -9.970 1.00 0.00 N ATOM 634 CD2 HIS A 43 -4.773 8.209 -8.392 1.00 0.00 C ATOM 635 CE1 HIS A 43 -4.487 7.509 -10.439 1.00 0.00 C ATOM 636 NE2 HIS A 43 -3.980 8.281 -9.489 1.00 0.00 N ATOM 0 H HIS A 43 -7.376 5.893 -5.034 1.00 0.00 H new ATOM 0 HA HIS A 43 -6.873 4.783 -7.675 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -7.836 6.802 -8.449 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -7.193 7.740 -7.115 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -4.617 8.730 -7.459 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -4.072 7.366 -11.426 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -3.130 8.839 -9.570 1.00 0.00 H new ATOM 645 N GLY A 44 -4.607 4.592 -6.826 1.00 0.00 N ATOM 646 CA GLY A 44 -3.235 4.455 -6.372 1.00 0.00 C ATOM 647 C GLY A 44 -3.101 3.866 -4.973 1.00 0.00 C ATOM 648 O GLY A 44 -3.880 4.173 -4.069 1.00 0.00 O ATOM 0 H GLY A 44 -4.906 3.880 -7.492 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -2.692 3.823 -7.075 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -2.758 5.435 -6.390 1.00 0.00 H new ATOM 652 N PHE A 45 -2.140 2.999 -4.808 1.00 0.00 N ATOM 653 CA PHE A 45 -1.856 2.428 -3.532 1.00 0.00 C ATOM 654 C PHE A 45 -0.459 2.926 -3.133 1.00 0.00 C ATOM 655 O PHE A 45 0.544 2.500 -3.722 1.00 0.00 O ATOM 656 CB PHE A 45 -1.848 0.899 -3.677 1.00 0.00 C ATOM 657 CG PHE A 45 -2.432 0.140 -2.523 1.00 0.00 C ATOM 658 CD1 PHE A 45 -2.052 0.405 -1.228 1.00 0.00 C ATOM 659 CD2 PHE A 45 -3.383 -0.841 -2.749 1.00 0.00 C ATOM 660 CE1 PHE A 45 -2.601 -0.299 -0.175 1.00 0.00 C ATOM 661 CE2 PHE A 45 -3.936 -1.548 -1.704 1.00 0.00 C ATOM 662 CZ PHE A 45 -3.546 -1.276 -0.415 1.00 0.00 C ATOM 0 H PHE A 45 -1.534 2.672 -5.560 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.594 2.707 -2.780 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -2.398 0.634 -4.580 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -0.819 0.570 -3.823 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -1.317 1.172 -1.033 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -3.696 -1.055 -3.760 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -2.291 -0.085 0.837 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -4.673 -2.313 -1.897 1.00 0.00 H new ATOM 0 HZ PHE A 45 -3.978 -1.825 0.409 1.00 0.00 H new ATOM 672 N HIS A 46 -0.362 3.850 -2.184 1.00 0.00 N ATOM 673 CA HIS A 46 0.922 4.389 -1.836 1.00 0.00 C ATOM 674 C HIS A 46 1.092 4.332 -0.348 1.00 0.00 C ATOM 675 O HIS A 46 0.648 5.284 0.444 1.00 0.00 O ATOM 676 CB HIS A 46 1.124 5.829 -2.354 1.00 0.00 C ATOM 677 CG HIS A 46 2.552 6.302 -2.316 1.00 0.00 C ATOM 678 ND1 HIS A 46 3.033 7.244 -1.436 1.00 0.00 N ATOM 679 CD2 HIS A 46 3.600 5.963 -3.091 1.00 0.00 C ATOM 680 CE1 HIS A 46 4.313 7.448 -1.681 1.00 0.00 C ATOM 681 NE2 HIS A 46 4.679 6.693 -2.674 1.00 0.00 N ATOM 0 H HIS A 46 -1.149 4.228 -1.657 1.00 0.00 H new ATOM 0 HA HIS A 46 1.684 3.780 -2.322 1.00 0.00 H new ATOM 0 HB2 HIS A 46 0.760 5.889 -3.380 1.00 0.00 H new ATOM 0 HB3 HIS A 46 0.512 6.507 -1.759 1.00 0.00 H new ATOM 0 HD1 HIS A 46 2.488 7.710 -0.711 1.00 0.00 H new ATOM 0 HD2 HIS A 46 3.590 5.244 -3.897 1.00 0.00 H new ATOM 0 HE1 HIS A 46 4.953 8.132 -1.144 1.00 0.00 H new ATOM 0 HE2 HIS A 46 5.616 6.652 -3.076 1.00 0.00 H new ATOM 690 N VAL A 47 1.613 3.225 0.050 1.00 0.00 N ATOM 691 CA VAL A 47 1.973 2.949 1.387 1.00 0.00 C ATOM 692 C VAL A 47 3.422 3.333 1.552 1.00 0.00 C ATOM 693 O VAL A 47 4.174 3.369 0.575 1.00 0.00 O ATOM 694 CB VAL A 47 1.756 1.446 1.707 1.00 0.00 C ATOM 695 CG1 VAL A 47 2.203 1.079 3.117 1.00 0.00 C ATOM 696 CG2 VAL A 47 0.308 1.078 1.490 1.00 0.00 C ATOM 0 H VAL A 47 1.808 2.451 -0.585 1.00 0.00 H new ATOM 0 HA VAL A 47 1.352 3.518 2.079 1.00 0.00 H new ATOM 0 HB VAL A 47 2.381 0.871 1.024 1.00 0.00 H new ATOM 0 HG11 VAL A 47 2.029 0.017 3.289 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.265 1.296 3.230 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.635 1.662 3.842 1.00 0.00 H new ATOM 0 HG21 VAL A 47 0.163 0.022 1.716 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -0.322 1.679 2.145 1.00 0.00 H new ATOM 0 HG23 VAL A 47 0.036 1.267 0.451 1.00 0.00 H new ATOM 706 N HIS A 48 3.767 3.686 2.742 1.00 0.00 N ATOM 707 CA HIS A 48 5.127 4.110 3.092 1.00 0.00 C ATOM 708 C HIS A 48 5.335 4.034 4.602 1.00 0.00 C ATOM 709 O HIS A 48 4.970 4.937 5.330 1.00 0.00 O ATOM 710 CB HIS A 48 5.478 5.532 2.493 1.00 0.00 C ATOM 711 CG HIS A 48 4.501 6.666 2.791 1.00 0.00 C ATOM 712 ND1 HIS A 48 4.501 7.874 2.121 1.00 0.00 N ATOM 713 CD2 HIS A 48 3.519 6.777 3.699 1.00 0.00 C ATOM 714 CE1 HIS A 48 3.567 8.650 2.621 1.00 0.00 C ATOM 715 NE2 HIS A 48 2.963 8.008 3.569 1.00 0.00 N ATOM 0 H HIS A 48 3.119 3.697 3.530 1.00 0.00 H new ATOM 0 HA HIS A 48 5.831 3.417 2.631 1.00 0.00 H new ATOM 0 HB2 HIS A 48 6.460 5.824 2.865 1.00 0.00 H new ATOM 0 HB3 HIS A 48 5.563 5.433 1.411 1.00 0.00 H new ATOM 0 HD1 HIS A 48 5.129 8.124 1.357 1.00 0.00 H new ATOM 0 HD2 HIS A 48 3.223 6.019 4.409 1.00 0.00 H new ATOM 0 HE1 HIS A 48 3.341 9.655 2.296 1.00 0.00 H new ATOM 0 HE2 HIS A 48 2.191 8.370 4.129 1.00 0.00 H new ATOM 724 N GLU A 49 5.868 2.933 5.067 1.00 0.00 N ATOM 725 CA GLU A 49 5.994 2.736 6.499 1.00 0.00 C ATOM 726 C GLU A 49 7.206 1.971 6.943 1.00 0.00 C ATOM 727 O GLU A 49 7.963 1.382 6.148 1.00 0.00 O ATOM 728 CB GLU A 49 4.750 2.065 7.068 1.00 0.00 C ATOM 729 CG GLU A 49 3.804 3.017 7.748 1.00 0.00 C ATOM 730 CD GLU A 49 4.284 3.503 9.105 1.00 0.00 C ATOM 731 OE1 GLU A 49 5.503 3.477 9.365 1.00 0.00 O ATOM 732 OE2 GLU A 49 3.429 3.864 9.939 1.00 0.00 O ATOM 0 H GLU A 49 6.218 2.167 4.491 1.00 0.00 H new ATOM 0 HA GLU A 49 6.112 3.746 6.893 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.222 1.557 6.261 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.055 1.299 7.781 1.00 0.00 H new ATOM 0 HG2 GLU A 49 3.645 3.879 7.100 1.00 0.00 H new ATOM 0 HG3 GLU A 49 2.838 2.527 7.870 1.00 0.00 H new ATOM 739 N PHE A 50 7.364 2.005 8.233 1.00 0.00 N ATOM 740 CA PHE A 50 8.340 1.307 8.973 1.00 0.00 C ATOM 741 C PHE A 50 7.695 0.777 10.273 1.00 0.00 C ATOM 742 O PHE A 50 8.370 0.452 11.243 1.00 0.00 O ATOM 743 CB PHE A 50 9.608 2.171 9.214 1.00 0.00 C ATOM 744 CG PHE A 50 9.380 3.584 9.702 1.00 0.00 C ATOM 745 CD1 PHE A 50 9.228 4.625 8.796 1.00 0.00 C ATOM 746 CD2 PHE A 50 9.352 3.874 11.048 1.00 0.00 C ATOM 747 CE1 PHE A 50 9.047 5.920 9.232 1.00 0.00 C ATOM 748 CE2 PHE A 50 9.168 5.170 11.492 1.00 0.00 C ATOM 749 CZ PHE A 50 9.018 6.194 10.581 1.00 0.00 C ATOM 0 H PHE A 50 6.760 2.570 8.830 1.00 0.00 H new ATOM 0 HA PHE A 50 8.695 0.449 8.402 1.00 0.00 H new ATOM 0 HB2 PHE A 50 10.238 1.657 9.940 1.00 0.00 H new ATOM 0 HB3 PHE A 50 10.170 2.219 8.281 1.00 0.00 H new ATOM 0 HD1 PHE A 50 9.252 4.418 7.736 1.00 0.00 H new ATOM 0 HD2 PHE A 50 9.476 3.078 11.767 1.00 0.00 H new ATOM 0 HE1 PHE A 50 8.928 6.719 8.516 1.00 0.00 H new ATOM 0 HE2 PHE A 50 9.142 5.380 12.551 1.00 0.00 H new ATOM 0 HZ PHE A 50 8.878 7.208 10.925 1.00 0.00 H new ATOM 759 N GLY A 51 6.371 0.581 10.199 1.00 0.00 N ATOM 760 CA GLY A 51 5.591 0.050 11.323 1.00 0.00 C ATOM 761 C GLY A 51 5.142 1.074 12.345 1.00 0.00 C ATOM 762 O GLY A 51 5.965 1.854 12.852 1.00 0.00 O ATOM 0 H GLY A 51 5.817 0.784 9.367 1.00 0.00 H new ATOM 0 HA2 GLY A 51 4.709 -0.452 10.926 1.00 0.00 H new ATOM 0 HA3 GLY A 51 6.188 -0.708 11.831 1.00 0.00 H new ATOM 766 N ASP A 52 3.839 1.087 12.682 1.00 0.00 N ATOM 767 CA ASP A 52 3.393 2.003 13.735 1.00 0.00 C ATOM 768 C ASP A 52 2.355 1.385 14.639 1.00 0.00 C ATOM 769 O ASP A 52 2.668 0.973 15.748 1.00 0.00 O ATOM 770 CB ASP A 52 2.907 3.365 13.209 1.00 0.00 C ATOM 771 CG ASP A 52 2.561 4.326 14.345 1.00 0.00 C ATOM 772 OD1 ASP A 52 3.459 4.676 15.130 1.00 0.00 O ATOM 773 OD2 ASP A 52 1.406 4.789 14.445 1.00 0.00 O ATOM 0 H ASP A 52 3.114 0.505 12.263 1.00 0.00 H new ATOM 0 HA ASP A 52 4.289 2.195 14.326 1.00 0.00 H new ATOM 0 HB2 ASP A 52 3.680 3.808 12.582 1.00 0.00 H new ATOM 0 HB3 ASP A 52 2.030 3.218 12.578 1.00 0.00 H new ATOM 778 N ASN A 53 1.143 1.323 14.176 1.00 0.00 N ATOM 779 CA ASN A 53 0.038 0.787 14.941 1.00 0.00 C ATOM 780 C ASN A 53 -1.028 0.363 13.980 1.00 0.00 C ATOM 781 O ASN A 53 -1.387 1.120 13.089 1.00 0.00 O ATOM 782 CB ASN A 53 -0.499 1.849 15.919 1.00 0.00 C ATOM 783 CG ASN A 53 -1.745 1.419 16.678 1.00 0.00 C ATOM 784 OD1 ASN A 53 -1.989 0.228 16.898 1.00 0.00 O ATOM 785 ND2 ASN A 53 -2.530 2.377 17.098 1.00 0.00 N ATOM 0 H ASN A 53 0.882 1.646 13.244 1.00 0.00 H new ATOM 0 HA ASN A 53 0.365 -0.069 15.532 1.00 0.00 H new ATOM 0 HB2 ASN A 53 0.284 2.096 16.636 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -0.721 2.760 15.363 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -3.374 2.151 17.625 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -2.299 3.350 16.899 1.00 0.00 H new ATOM 792 N THR A 54 -1.559 -0.821 14.167 1.00 0.00 N ATOM 793 CA THR A 54 -2.507 -1.401 13.231 1.00 0.00 C ATOM 794 C THR A 54 -3.905 -0.728 13.303 1.00 0.00 C ATOM 795 O THR A 54 -4.839 -1.159 12.637 1.00 0.00 O ATOM 796 CB THR A 54 -2.614 -2.952 13.414 1.00 0.00 C ATOM 797 OG1 THR A 54 -3.350 -3.535 12.336 1.00 0.00 O ATOM 798 CG2 THR A 54 -3.277 -3.319 14.733 1.00 0.00 C ATOM 0 H THR A 54 -1.350 -1.414 14.970 1.00 0.00 H new ATOM 0 HA THR A 54 -2.116 -1.205 12.232 1.00 0.00 H new ATOM 0 HB THR A 54 -1.598 -3.346 13.418 1.00 0.00 H new ATOM 0 HG1 THR A 54 -4.114 -2.963 12.115 1.00 0.00 H new ATOM 0 HG21 THR A 54 -3.333 -4.404 14.823 1.00 0.00 H new ATOM 0 HG22 THR A 54 -2.691 -2.916 15.559 1.00 0.00 H new ATOM 0 HG23 THR A 54 -4.283 -2.900 14.764 1.00 0.00 H new ATOM 806 N ALA A 55 -4.026 0.309 14.104 1.00 0.00 N ATOM 807 CA ALA A 55 -5.263 1.054 14.205 1.00 0.00 C ATOM 808 C ALA A 55 -5.104 2.435 13.574 1.00 0.00 C ATOM 809 O ALA A 55 -6.060 3.213 13.502 1.00 0.00 O ATOM 810 CB ALA A 55 -5.678 1.188 15.660 1.00 0.00 C ATOM 0 H ALA A 55 -3.275 0.658 14.700 1.00 0.00 H new ATOM 0 HA ALA A 55 -6.040 0.512 13.667 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -6.610 1.750 15.722 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -5.823 0.197 16.090 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -4.900 1.713 16.213 1.00 0.00 H new ATOM 816 N GLY A 56 -3.906 2.733 13.106 1.00 0.00 N ATOM 817 CA GLY A 56 -3.635 4.027 12.550 1.00 0.00 C ATOM 818 C GLY A 56 -2.176 4.286 12.610 1.00 0.00 C ATOM 819 O GLY A 56 -1.578 4.144 13.652 1.00 0.00 O ATOM 0 H GLY A 56 -3.113 2.092 13.104 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -3.983 4.073 11.518 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -4.176 4.795 13.103 1.00 0.00 H new ATOM 823 N CYS A 57 -1.601 4.580 11.515 1.00 0.00 N ATOM 824 CA CYS A 57 -0.192 4.777 11.427 1.00 0.00 C ATOM 825 C CYS A 57 0.218 6.226 11.478 1.00 0.00 C ATOM 826 O CYS A 57 -0.058 7.002 10.576 1.00 0.00 O ATOM 827 CB CYS A 57 0.333 4.063 10.225 1.00 0.00 C ATOM 828 SG CYS A 57 -0.901 3.878 8.887 1.00 0.00 S ATOM 0 H CYS A 57 -2.095 4.696 10.630 1.00 0.00 H new ATOM 0 HA CYS A 57 0.266 4.344 12.316 1.00 0.00 H new ATOM 0 HB2 CYS A 57 1.197 4.605 9.839 1.00 0.00 H new ATOM 0 HB3 CYS A 57 0.684 3.075 10.524 1.00 0.00 H new ATOM 833 N THR A 58 0.881 6.576 12.539 1.00 0.00 N ATOM 834 CA THR A 58 1.338 7.917 12.765 1.00 0.00 C ATOM 835 C THR A 58 2.567 8.218 11.883 1.00 0.00 C ATOM 836 O THR A 58 2.697 9.323 11.331 1.00 0.00 O ATOM 837 CB THR A 58 1.715 8.076 14.249 1.00 0.00 C ATOM 838 OG1 THR A 58 0.705 7.430 15.050 1.00 0.00 O ATOM 839 CG2 THR A 58 1.797 9.547 14.638 1.00 0.00 C ATOM 0 H THR A 58 1.125 5.926 13.287 1.00 0.00 H new ATOM 0 HA THR A 58 0.543 8.617 12.507 1.00 0.00 H new ATOM 0 HB THR A 58 2.692 7.622 14.417 1.00 0.00 H new ATOM 0 HG1 THR A 58 0.887 6.468 15.092 1.00 0.00 H new ATOM 0 HG21 THR A 58 2.065 9.630 15.691 1.00 0.00 H new ATOM 0 HG22 THR A 58 2.554 10.042 14.031 1.00 0.00 H new ATOM 0 HG23 THR A 58 0.830 10.022 14.471 1.00 0.00 H new ATOM 847 N SER A 59 3.429 7.214 11.717 1.00 0.00 N ATOM 848 CA SER A 59 4.670 7.350 10.959 1.00 0.00 C ATOM 849 C SER A 59 4.370 7.436 9.469 1.00 0.00 C ATOM 850 O SER A 59 5.104 8.058 8.696 1.00 0.00 O ATOM 851 CB SER A 59 5.531 6.122 11.206 1.00 0.00 C ATOM 852 OG SER A 59 5.557 5.778 12.585 1.00 0.00 O ATOM 0 H SER A 59 3.284 6.282 12.106 1.00 0.00 H new ATOM 0 HA SER A 59 5.185 8.256 11.278 1.00 0.00 H new ATOM 0 HB2 SER A 59 5.146 5.283 10.627 1.00 0.00 H new ATOM 0 HB3 SER A 59 6.546 6.311 10.857 1.00 0.00 H new ATOM 0 HG SER A 59 6.117 4.984 12.714 1.00 0.00 H new ATOM 858 N ALA A 60 3.250 6.849 9.092 1.00 0.00 N ATOM 859 CA ALA A 60 2.832 6.737 7.717 1.00 0.00 C ATOM 860 C ALA A 60 2.283 8.011 7.168 1.00 0.00 C ATOM 861 O ALA A 60 1.974 8.071 5.994 1.00 0.00 O ATOM 862 CB ALA A 60 1.802 5.670 7.561 1.00 0.00 C ATOM 0 H ALA A 60 2.595 6.429 9.751 1.00 0.00 H new ATOM 0 HA ALA A 60 3.731 6.484 7.154 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.502 5.604 6.515 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.217 4.714 7.880 1.00 0.00 H new ATOM 0 HB3 ALA A 60 0.933 5.911 8.173 1.00 0.00 H new ATOM 868 N GLY A 61 2.081 8.989 8.002 1.00 0.00 N ATOM 869 CA GLY A 61 1.578 10.247 7.521 1.00 0.00 C ATOM 870 C GLY A 61 2.557 10.941 6.578 1.00 0.00 C ATOM 871 O GLY A 61 2.595 10.643 5.367 1.00 0.00 O ATOM 0 H GLY A 61 2.253 8.944 9.006 1.00 0.00 H new ATOM 0 HA2 GLY A 61 0.633 10.084 7.003 1.00 0.00 H new ATOM 0 HA3 GLY A 61 1.369 10.900 8.368 1.00 0.00 H new ATOM 875 N PRO A 62 3.405 11.818 7.085 1.00 0.00 N ATOM 876 CA PRO A 62 4.294 12.585 6.247 1.00 0.00 C ATOM 877 C PRO A 62 5.698 11.968 6.122 1.00 0.00 C ATOM 878 O PRO A 62 6.702 12.660 6.324 1.00 0.00 O ATOM 879 CB PRO A 62 4.363 13.889 7.037 1.00 0.00 C ATOM 880 CG PRO A 62 4.312 13.471 8.476 1.00 0.00 C ATOM 881 CD PRO A 62 3.569 12.158 8.514 1.00 0.00 C ATOM 0 HA PRO A 62 3.948 12.664 5.216 1.00 0.00 H new ATOM 0 HB2 PRO A 62 5.280 14.436 6.817 1.00 0.00 H new ATOM 0 HB3 PRO A 62 3.531 14.547 6.787 1.00 0.00 H new ATOM 0 HG2 PRO A 62 5.317 13.360 8.884 1.00 0.00 H new ATOM 0 HG3 PRO A 62 3.804 14.222 9.081 1.00 0.00 H new ATOM 0 HD2 PRO A 62 4.132 11.392 9.047 1.00 0.00 H new ATOM 0 HD3 PRO A 62 2.607 12.255 9.017 1.00 0.00 H new ATOM 889 N HIS A 63 5.800 10.727 5.749 1.00 0.00 N ATOM 890 CA HIS A 63 7.123 10.136 5.593 1.00 0.00 C ATOM 891 C HIS A 63 7.261 9.543 4.215 1.00 0.00 C ATOM 892 O HIS A 63 6.555 8.616 3.886 1.00 0.00 O ATOM 893 CB HIS A 63 7.399 9.054 6.658 1.00 0.00 C ATOM 894 CG HIS A 63 8.811 8.517 6.617 1.00 0.00 C ATOM 895 ND1 HIS A 63 9.215 7.481 5.797 1.00 0.00 N ATOM 896 CD2 HIS A 63 9.925 8.916 7.272 1.00 0.00 C ATOM 897 CE1 HIS A 63 10.504 7.279 5.953 1.00 0.00 C ATOM 898 NE2 HIS A 63 10.958 8.133 6.837 1.00 0.00 N ATOM 0 H HIS A 63 5.015 10.107 5.549 1.00 0.00 H new ATOM 0 HA HIS A 63 7.857 10.930 5.728 1.00 0.00 H new ATOM 0 HB2 HIS A 63 7.205 9.470 7.647 1.00 0.00 H new ATOM 0 HB3 HIS A 63 6.700 8.229 6.517 1.00 0.00 H new ATOM 0 HD1 HIS A 63 8.608 6.955 5.169 1.00 0.00 H new ATOM 0 HD2 HIS A 63 9.987 9.708 8.004 1.00 0.00 H new ATOM 0 HE1 HIS A 63 11.091 6.533 5.438 1.00 0.00 H new ATOM 907 N PHE A 64 8.166 10.050 3.424 1.00 0.00 N ATOM 908 CA PHE A 64 8.353 9.524 2.087 1.00 0.00 C ATOM 909 C PHE A 64 9.326 8.354 2.114 1.00 0.00 C ATOM 910 O PHE A 64 10.306 8.372 2.858 1.00 0.00 O ATOM 911 CB PHE A 64 8.811 10.614 1.085 1.00 0.00 C ATOM 912 CG PHE A 64 10.143 11.256 1.365 1.00 0.00 C ATOM 913 CD1 PHE A 64 10.240 12.341 2.219 1.00 0.00 C ATOM 914 CD2 PHE A 64 11.290 10.790 0.752 1.00 0.00 C ATOM 915 CE1 PHE A 64 11.456 12.941 2.457 1.00 0.00 C ATOM 916 CE2 PHE A 64 12.503 11.382 0.988 1.00 0.00 C ATOM 917 CZ PHE A 64 12.588 12.460 1.841 1.00 0.00 C ATOM 0 H PHE A 64 8.785 10.821 3.673 1.00 0.00 H new ATOM 0 HA PHE A 64 7.386 9.167 1.734 1.00 0.00 H new ATOM 0 HB2 PHE A 64 8.847 10.171 0.090 1.00 0.00 H new ATOM 0 HB3 PHE A 64 8.052 11.396 1.059 1.00 0.00 H new ATOM 0 HD1 PHE A 64 9.353 12.721 2.704 1.00 0.00 H new ATOM 0 HD2 PHE A 64 11.230 9.948 0.078 1.00 0.00 H new ATOM 0 HE1 PHE A 64 11.521 13.787 3.125 1.00 0.00 H new ATOM 0 HE2 PHE A 64 13.392 11.003 0.505 1.00 0.00 H new ATOM 0 HZ PHE A 64 13.544 12.928 2.026 1.00 0.00 H new ATOM 927 N ASN A 65 9.022 7.321 1.364 1.00 0.00 N ATOM 928 CA ASN A 65 9.909 6.177 1.258 1.00 0.00 C ATOM 929 C ASN A 65 10.407 6.075 -0.176 1.00 0.00 C ATOM 930 O ASN A 65 9.717 5.533 -1.044 1.00 0.00 O ATOM 931 CB ASN A 65 9.246 4.853 1.693 1.00 0.00 C ATOM 932 CG ASN A 65 8.837 4.786 3.164 1.00 0.00 C ATOM 933 OD1 ASN A 65 8.448 5.777 3.781 1.00 0.00 O ATOM 934 ND2 ASN A 65 8.958 3.629 3.754 1.00 0.00 N ATOM 0 H ASN A 65 8.166 7.245 0.815 1.00 0.00 H new ATOM 0 HA ASN A 65 10.741 6.337 1.944 1.00 0.00 H new ATOM 0 HB2 ASN A 65 8.361 4.688 1.078 1.00 0.00 H new ATOM 0 HB3 ASN A 65 9.935 4.034 1.486 1.00 0.00 H new ATOM 0 HD21 ASN A 65 8.729 3.535 4.743 1.00 0.00 H new ATOM 0 HD22 ASN A 65 9.282 2.819 3.226 1.00 0.00 H new ATOM 941 N PRO A 66 11.591 6.624 -0.453 1.00 0.00 N ATOM 942 CA PRO A 66 12.154 6.726 -1.807 1.00 0.00 C ATOM 943 C PRO A 66 12.566 5.391 -2.441 1.00 0.00 C ATOM 944 O PRO A 66 12.855 5.338 -3.618 1.00 0.00 O ATOM 945 CB PRO A 66 13.362 7.647 -1.642 1.00 0.00 C ATOM 946 CG PRO A 66 13.775 7.480 -0.228 1.00 0.00 C ATOM 947 CD PRO A 66 12.519 7.208 0.553 1.00 0.00 C ATOM 0 HA PRO A 66 11.398 7.103 -2.496 1.00 0.00 H new ATOM 0 HB2 PRO A 66 14.166 7.371 -2.324 1.00 0.00 H new ATOM 0 HB3 PRO A 66 13.102 8.683 -1.858 1.00 0.00 H new ATOM 0 HG2 PRO A 66 14.482 6.657 -0.125 1.00 0.00 H new ATOM 0 HG3 PRO A 66 14.274 8.377 0.139 1.00 0.00 H new ATOM 0 HD2 PRO A 66 12.702 6.517 1.376 1.00 0.00 H new ATOM 0 HD3 PRO A 66 12.113 8.121 0.988 1.00 0.00 H new ATOM 955 N LEU A 67 12.595 4.307 -1.671 1.00 0.00 N ATOM 956 CA LEU A 67 13.109 3.060 -2.181 1.00 0.00 C ATOM 957 C LEU A 67 12.077 2.444 -3.060 1.00 0.00 C ATOM 958 O LEU A 67 12.382 1.650 -3.905 1.00 0.00 O ATOM 959 CB LEU A 67 13.482 2.075 -1.041 1.00 0.00 C ATOM 960 CG LEU A 67 14.601 2.486 -0.049 1.00 0.00 C ATOM 961 CD1 LEU A 67 15.872 2.896 -0.767 1.00 0.00 C ATOM 962 CD2 LEU A 67 14.149 3.562 0.931 1.00 0.00 C ATOM 0 H LEU A 67 12.271 4.276 -0.704 1.00 0.00 H new ATOM 0 HA LEU A 67 14.021 3.267 -2.742 1.00 0.00 H new ATOM 0 HB2 LEU A 67 12.579 1.880 -0.462 1.00 0.00 H new ATOM 0 HB3 LEU A 67 13.776 1.131 -1.500 1.00 0.00 H new ATOM 0 HG LEU A 67 14.826 1.596 0.539 1.00 0.00 H new ATOM 0 HD11 LEU A 67 16.629 3.176 -0.035 1.00 0.00 H new ATOM 0 HD12 LEU A 67 16.237 2.061 -1.366 1.00 0.00 H new ATOM 0 HD13 LEU A 67 15.665 3.746 -1.417 1.00 0.00 H new ATOM 0 HD21 LEU A 67 14.971 3.812 1.602 1.00 0.00 H new ATOM 0 HD22 LEU A 67 13.847 4.453 0.380 1.00 0.00 H new ATOM 0 HD23 LEU A 67 13.305 3.192 1.513 1.00 0.00 H new ATOM 974 N SER A 68 10.859 2.919 -2.882 1.00 0.00 N ATOM 975 CA SER A 68 9.705 2.401 -3.526 1.00 0.00 C ATOM 976 C SER A 68 9.831 2.357 -5.057 1.00 0.00 C ATOM 977 O SER A 68 10.177 1.359 -5.653 1.00 0.00 O ATOM 978 CB SER A 68 8.469 3.191 -3.068 1.00 0.00 C ATOM 979 OG SER A 68 8.656 4.583 -3.277 1.00 0.00 O ATOM 0 H SER A 68 10.657 3.702 -2.261 1.00 0.00 H new ATOM 0 HA SER A 68 9.594 1.359 -3.226 1.00 0.00 H new ATOM 0 HB2 SER A 68 7.590 2.851 -3.616 1.00 0.00 H new ATOM 0 HB3 SER A 68 8.280 2.999 -2.012 1.00 0.00 H new ATOM 0 HG SER A 68 8.849 5.019 -2.421 1.00 0.00 H new ATOM 985 N ARG A 69 9.552 3.413 -5.662 1.00 0.00 N ATOM 986 CA ARG A 69 9.629 3.503 -7.093 1.00 0.00 C ATOM 987 C ARG A 69 10.327 4.806 -7.311 1.00 0.00 C ATOM 988 O ARG A 69 10.104 5.512 -8.257 1.00 0.00 O ATOM 989 CB ARG A 69 8.175 3.480 -7.599 1.00 0.00 C ATOM 990 CG ARG A 69 7.923 3.081 -9.042 1.00 0.00 C ATOM 991 CD ARG A 69 8.250 4.163 -10.065 1.00 0.00 C ATOM 992 NE ARG A 69 8.017 3.738 -11.454 1.00 0.00 N ATOM 993 CZ ARG A 69 7.764 4.571 -12.464 1.00 0.00 C ATOM 994 NH1 ARG A 69 7.635 5.882 -12.245 1.00 0.00 N ATOM 995 NH2 ARG A 69 7.647 4.099 -13.692 1.00 0.00 N ATOM 0 H ARG A 69 9.255 4.273 -5.201 1.00 0.00 H new ATOM 0 HA ARG A 69 10.160 2.708 -7.616 1.00 0.00 H new ATOM 0 HB2 ARG A 69 7.612 2.798 -6.962 1.00 0.00 H new ATOM 0 HB3 ARG A 69 7.755 4.475 -7.451 1.00 0.00 H new ATOM 0 HG2 ARG A 69 8.515 2.194 -9.269 1.00 0.00 H new ATOM 0 HG3 ARG A 69 6.875 2.801 -9.150 1.00 0.00 H new ATOM 0 HD2 ARG A 69 7.646 5.046 -9.856 1.00 0.00 H new ATOM 0 HD3 ARG A 69 9.294 4.457 -9.952 1.00 0.00 H new ATOM 0 HE ARG A 69 8.051 2.739 -11.658 1.00 0.00 H new ATOM 0 HH11 ARG A 69 7.730 6.253 -11.300 1.00 0.00 H new ATOM 0 HH12 ARG A 69 7.442 6.512 -13.023 1.00 0.00 H new ATOM 0 HH21 ARG A 69 7.750 3.099 -13.866 1.00 0.00 H new ATOM 0 HH22 ARG A 69 7.453 4.734 -14.466 1.00 0.00 H new ATOM 1009 N LYS A 70 11.164 5.110 -6.329 1.00 0.00 N ATOM 1010 CA LYS A 70 11.832 6.383 -6.134 1.00 0.00 C ATOM 1011 C LYS A 70 10.850 7.409 -5.596 1.00 0.00 C ATOM 1012 O LYS A 70 11.166 8.175 -4.680 1.00 0.00 O ATOM 1013 CB LYS A 70 12.651 6.870 -7.338 1.00 0.00 C ATOM 1014 CG LYS A 70 13.778 5.914 -7.750 1.00 0.00 C ATOM 1015 CD LYS A 70 14.631 5.486 -6.549 1.00 0.00 C ATOM 1016 CE LYS A 70 15.810 4.631 -6.977 1.00 0.00 C ATOM 1017 NZ LYS A 70 16.520 4.020 -5.823 1.00 0.00 N ATOM 0 H LYS A 70 11.407 4.433 -5.606 1.00 0.00 H new ATOM 0 HA LYS A 70 12.601 6.228 -5.377 1.00 0.00 H new ATOM 0 HB2 LYS A 70 11.982 7.014 -8.186 1.00 0.00 H new ATOM 0 HB3 LYS A 70 13.081 7.843 -7.103 1.00 0.00 H new ATOM 0 HG2 LYS A 70 13.350 5.031 -8.225 1.00 0.00 H new ATOM 0 HG3 LYS A 70 14.413 6.399 -8.492 1.00 0.00 H new ATOM 0 HD2 LYS A 70 14.994 6.371 -6.026 1.00 0.00 H new ATOM 0 HD3 LYS A 70 14.014 4.929 -5.844 1.00 0.00 H new ATOM 0 HE2 LYS A 70 15.460 3.842 -7.643 1.00 0.00 H new ATOM 0 HE3 LYS A 70 16.510 5.242 -7.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 17.495 3.787 -6.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 16.536 4.692 -5.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 16.026 3.152 -5.531 1.00 0.00 H new ATOM 1031 N HIS A 71 9.648 7.398 -6.130 1.00 0.00 N ATOM 1032 CA HIS A 71 8.598 8.190 -5.579 1.00 0.00 C ATOM 1033 C HIS A 71 7.404 7.283 -5.170 1.00 0.00 C ATOM 1034 O HIS A 71 6.555 7.696 -4.376 1.00 0.00 O ATOM 1035 CB HIS A 71 8.167 9.286 -6.551 1.00 0.00 C ATOM 1036 CG HIS A 71 7.688 10.543 -5.889 1.00 0.00 C ATOM 1037 ND1 HIS A 71 8.017 11.788 -6.352 1.00 0.00 N ATOM 1038 CD2 HIS A 71 6.885 10.750 -4.822 1.00 0.00 C ATOM 1039 CE1 HIS A 71 7.446 12.698 -5.611 1.00 0.00 C ATOM 1040 NE2 HIS A 71 6.754 12.097 -4.677 1.00 0.00 N ATOM 0 H HIS A 71 9.385 6.845 -6.946 1.00 0.00 H new ATOM 0 HA HIS A 71 8.969 8.687 -4.683 1.00 0.00 H new ATOM 0 HB2 HIS A 71 9.007 9.529 -7.202 1.00 0.00 H new ATOM 0 HB3 HIS A 71 7.372 8.899 -7.188 1.00 0.00 H new ATOM 0 HD2 HIS A 71 6.433 9.990 -4.202 1.00 0.00 H new ATOM 0 HE1 HIS A 71 7.530 13.766 -5.746 1.00 0.00 H new ATOM 0 HE2 HIS A 71 6.204 12.563 -3.956 1.00 0.00 H new ATOM 1049 N GLY A 72 7.336 6.023 -5.673 1.00 0.00 N ATOM 1050 CA GLY A 72 6.270 5.169 -5.238 1.00 0.00 C ATOM 1051 C GLY A 72 5.199 4.879 -6.261 1.00 0.00 C ATOM 1052 O GLY A 72 4.130 4.466 -5.869 1.00 0.00 O ATOM 0 H GLY A 72 7.986 5.617 -6.346 1.00 0.00 H new ATOM 0 HA2 GLY A 72 6.699 4.222 -4.911 1.00 0.00 H new ATOM 0 HA3 GLY A 72 5.799 5.623 -4.366 1.00 0.00 H new ATOM 1056 N GLY A 73 5.476 5.130 -7.553 1.00 0.00 N ATOM 1057 CA GLY A 73 4.561 4.758 -8.670 1.00 0.00 C ATOM 1058 C GLY A 73 3.859 3.397 -8.470 1.00 0.00 C ATOM 1059 O GLY A 73 4.476 2.443 -7.948 1.00 0.00 O ATOM 0 H GLY A 73 6.331 5.593 -7.861 1.00 0.00 H new ATOM 0 HA2 GLY A 73 3.804 5.534 -8.782 1.00 0.00 H new ATOM 0 HA3 GLY A 73 5.129 4.731 -9.600 1.00 0.00 H new ATOM 1063 N PRO A 74 2.608 3.246 -8.958 1.00 0.00 N ATOM 1064 CA PRO A 74 1.727 2.117 -8.587 1.00 0.00 C ATOM 1065 C PRO A 74 2.120 0.799 -9.221 1.00 0.00 C ATOM 1066 O PRO A 74 1.805 -0.261 -8.705 1.00 0.00 O ATOM 1067 CB PRO A 74 0.353 2.565 -9.094 1.00 0.00 C ATOM 1068 CG PRO A 74 0.647 3.440 -10.271 1.00 0.00 C ATOM 1069 CD PRO A 74 1.969 4.118 -9.985 1.00 0.00 C ATOM 0 HA PRO A 74 1.772 1.919 -7.516 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -0.261 1.711 -9.380 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -0.195 3.108 -8.324 1.00 0.00 H new ATOM 0 HG2 PRO A 74 0.703 2.852 -11.187 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -0.144 4.177 -10.413 1.00 0.00 H new ATOM 0 HD2 PRO A 74 2.582 4.192 -10.883 1.00 0.00 H new ATOM 0 HD3 PRO A 74 1.825 5.132 -9.613 1.00 0.00 H new ATOM 1077 N LYS A 75 2.836 0.888 -10.308 1.00 0.00 N ATOM 1078 CA LYS A 75 3.235 -0.278 -11.061 1.00 0.00 C ATOM 1079 C LYS A 75 4.530 -0.835 -10.504 1.00 0.00 C ATOM 1080 O LYS A 75 4.916 -1.950 -10.822 1.00 0.00 O ATOM 1081 CB LYS A 75 3.432 0.105 -12.526 1.00 0.00 C ATOM 1082 CG LYS A 75 2.259 0.870 -13.135 1.00 0.00 C ATOM 1083 CD LYS A 75 2.512 1.225 -14.592 1.00 0.00 C ATOM 1084 CE LYS A 75 2.511 -0.002 -15.490 1.00 0.00 C ATOM 1085 NZ LYS A 75 1.168 -0.621 -15.581 1.00 0.00 N ATOM 0 H LYS A 75 3.162 1.771 -10.701 1.00 0.00 H new ATOM 0 HA LYS A 75 2.457 -1.038 -10.983 1.00 0.00 H new ATOM 0 HB2 LYS A 75 4.333 0.713 -12.613 1.00 0.00 H new ATOM 0 HB3 LYS A 75 3.602 -0.801 -13.107 1.00 0.00 H new ATOM 0 HG2 LYS A 75 1.354 0.268 -13.060 1.00 0.00 H new ATOM 0 HG3 LYS A 75 2.084 1.782 -12.564 1.00 0.00 H new ATOM 0 HD2 LYS A 75 1.747 1.923 -14.932 1.00 0.00 H new ATOM 0 HD3 LYS A 75 3.471 1.736 -14.679 1.00 0.00 H new ATOM 0 HE2 LYS A 75 2.850 0.278 -16.487 1.00 0.00 H new ATOM 0 HE3 LYS A 75 3.222 -0.733 -15.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 1.179 -1.368 -16.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 0.913 -1.033 -14.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 0.469 0.103 -15.842 1.00 0.00 H new ATOM 1099 N ASP A 76 5.173 -0.031 -9.652 1.00 0.00 N ATOM 1100 CA ASP A 76 6.489 -0.323 -9.063 1.00 0.00 C ATOM 1101 C ASP A 76 7.607 -0.232 -10.122 1.00 0.00 C ATOM 1102 O ASP A 76 7.346 -0.243 -11.325 1.00 0.00 O ATOM 1103 CB ASP A 76 6.518 -1.666 -8.272 1.00 0.00 C ATOM 1104 CG ASP A 76 7.870 -1.962 -7.644 1.00 0.00 C ATOM 1105 OD1 ASP A 76 8.513 -0.995 -7.136 1.00 0.00 O ATOM 1106 OD2 ASP A 76 8.323 -3.121 -7.683 1.00 0.00 O ATOM 0 H ASP A 76 4.787 0.861 -9.344 1.00 0.00 H new ATOM 0 HA ASP A 76 6.683 0.451 -8.320 1.00 0.00 H new ATOM 0 HB2 ASP A 76 5.760 -1.636 -7.489 1.00 0.00 H new ATOM 0 HB3 ASP A 76 6.250 -2.482 -8.944 1.00 0.00 H new ATOM 1111 N GLU A 77 8.815 -0.068 -9.664 1.00 0.00 N ATOM 1112 CA GLU A 77 9.976 0.067 -10.519 1.00 0.00 C ATOM 1113 C GLU A 77 11.148 -0.520 -9.798 1.00 0.00 C ATOM 1114 O GLU A 77 12.129 -0.931 -10.423 1.00 0.00 O ATOM 1115 CB GLU A 77 10.305 1.536 -10.768 1.00 0.00 C ATOM 1116 CG GLU A 77 11.187 1.824 -11.968 1.00 0.00 C ATOM 1117 CD GLU A 77 10.436 1.689 -13.273 1.00 0.00 C ATOM 1118 OE1 GLU A 77 9.222 1.419 -13.260 1.00 0.00 O ATOM 1119 OE2 GLU A 77 11.040 1.892 -14.343 1.00 0.00 O ATOM 0 H GLU A 77 9.032 -0.023 -8.668 1.00 0.00 H new ATOM 0 HA GLU A 77 9.770 -0.430 -11.467 1.00 0.00 H new ATOM 0 HB2 GLU A 77 9.370 2.082 -10.890 1.00 0.00 H new ATOM 0 HB3 GLU A 77 10.793 1.935 -9.879 1.00 0.00 H new ATOM 0 HG2 GLU A 77 11.591 2.833 -11.886 1.00 0.00 H new ATOM 0 HG3 GLU A 77 12.035 1.139 -11.966 1.00 0.00 H new ATOM 1126 N GLU A 78 11.081 -0.549 -8.472 1.00 0.00 N ATOM 1127 CA GLU A 78 12.213 -1.021 -7.751 1.00 0.00 C ATOM 1128 C GLU A 78 11.788 -1.900 -6.608 1.00 0.00 C ATOM 1129 O GLU A 78 12.046 -3.099 -6.622 1.00 0.00 O ATOM 1130 CB GLU A 78 13.064 0.166 -7.280 1.00 0.00 C ATOM 1131 CG GLU A 78 14.460 -0.195 -6.789 1.00 0.00 C ATOM 1132 CD GLU A 78 15.307 1.029 -6.558 1.00 0.00 C ATOM 1133 OE1 GLU A 78 15.796 1.606 -7.562 1.00 0.00 O ATOM 1134 OE2 GLU A 78 15.514 1.445 -5.383 1.00 0.00 O ATOM 0 H GLU A 78 10.281 -0.260 -7.910 1.00 0.00 H new ATOM 0 HA GLU A 78 12.829 -1.633 -8.410 1.00 0.00 H new ATOM 0 HB2 GLU A 78 13.157 0.875 -8.102 1.00 0.00 H new ATOM 0 HB3 GLU A 78 12.534 0.677 -6.476 1.00 0.00 H new ATOM 0 HG2 GLU A 78 14.383 -0.764 -5.862 1.00 0.00 H new ATOM 0 HG3 GLU A 78 14.947 -0.841 -7.520 1.00 0.00 H new ATOM 1141 N ARG A 79 11.078 -1.329 -5.659 1.00 0.00 N ATOM 1142 CA ARG A 79 10.720 -1.984 -4.477 1.00 0.00 C ATOM 1143 C ARG A 79 9.815 -1.050 -3.780 1.00 0.00 C ATOM 1144 O ARG A 79 10.213 -0.366 -2.841 1.00 0.00 O ATOM 1145 CB ARG A 79 11.978 -2.369 -3.623 1.00 0.00 C ATOM 1146 CG ARG A 79 12.968 -1.231 -3.515 1.00 0.00 C ATOM 1147 CD ARG A 79 14.316 -1.612 -2.971 1.00 0.00 C ATOM 1148 NE ARG A 79 15.270 -0.545 -3.309 1.00 0.00 N ATOM 1149 CZ ARG A 79 16.422 -0.272 -2.717 1.00 0.00 C ATOM 1150 NH1 ARG A 79 16.791 -0.898 -1.600 1.00 0.00 N ATOM 1151 NH2 ARG A 79 17.192 0.662 -3.251 1.00 0.00 N ATOM 0 H ARG A 79 10.738 -0.369 -5.716 1.00 0.00 H new ATOM 0 HA ARG A 79 10.225 -2.936 -4.668 1.00 0.00 H new ATOM 0 HB2 ARG A 79 11.659 -2.666 -2.624 1.00 0.00 H new ATOM 0 HB3 ARG A 79 12.468 -3.233 -4.071 1.00 0.00 H new ATOM 0 HG2 ARG A 79 13.103 -0.791 -4.503 1.00 0.00 H new ATOM 0 HG3 ARG A 79 12.541 -0.457 -2.877 1.00 0.00 H new ATOM 0 HD2 ARG A 79 14.265 -1.747 -1.891 1.00 0.00 H new ATOM 0 HD3 ARG A 79 14.642 -2.561 -3.396 1.00 0.00 H new ATOM 0 HE ARG A 79 15.014 0.056 -4.092 1.00 0.00 H new ATOM 0 HH11 ARG A 79 16.181 -1.603 -1.185 1.00 0.00 H new ATOM 0 HH12 ARG A 79 17.683 -0.672 -1.160 1.00 0.00 H new ATOM 0 HH21 ARG A 79 16.892 1.149 -4.096 1.00 0.00 H new ATOM 0 HH22 ARG A 79 18.086 0.895 -2.818 1.00 0.00 H new ATOM 1165 N HIS A 80 8.682 -0.791 -4.467 1.00 0.00 N ATOM 1166 CA HIS A 80 7.566 -0.085 -3.923 1.00 0.00 C ATOM 1167 C HIS A 80 7.363 -0.595 -2.519 1.00 0.00 C ATOM 1168 O HIS A 80 6.819 -1.654 -2.304 1.00 0.00 O ATOM 1169 CB HIS A 80 6.326 -0.331 -4.822 1.00 0.00 C ATOM 1170 CG HIS A 80 5.087 0.472 -4.526 1.00 0.00 C ATOM 1171 ND1 HIS A 80 4.414 1.199 -5.487 1.00 0.00 N ATOM 1172 CD2 HIS A 80 4.342 0.576 -3.421 1.00 0.00 C ATOM 1173 CE1 HIS A 80 3.318 1.697 -4.970 1.00 0.00 C ATOM 1174 NE2 HIS A 80 3.244 1.336 -3.720 1.00 0.00 N ATOM 0 H HIS A 80 8.542 -1.085 -5.434 1.00 0.00 H new ATOM 0 HA HIS A 80 7.732 0.992 -3.891 1.00 0.00 H new ATOM 0 HB2 HIS A 80 6.615 -0.137 -5.855 1.00 0.00 H new ATOM 0 HB3 HIS A 80 6.067 -1.388 -4.757 1.00 0.00 H new ATOM 0 HD1 HIS A 80 4.722 1.329 -6.451 1.00 0.00 H new ATOM 0 HD2 HIS A 80 4.567 0.137 -2.460 1.00 0.00 H new ATOM 0 HE1 HIS A 80 2.595 2.306 -5.493 1.00 0.00 H new ATOM 0 HE2 HIS A 80 2.494 1.579 -3.073 1.00 0.00 H new ATOM 1183 N VAL A 81 7.907 0.127 -1.578 1.00 0.00 N ATOM 1184 CA VAL A 81 7.873 -0.250 -0.207 1.00 0.00 C ATOM 1185 C VAL A 81 6.585 0.142 0.433 1.00 0.00 C ATOM 1186 O VAL A 81 6.493 0.957 1.357 1.00 0.00 O ATOM 1187 CB VAL A 81 9.125 0.194 0.562 1.00 0.00 C ATOM 1188 CG1 VAL A 81 10.300 -0.654 0.085 1.00 0.00 C ATOM 1189 CG2 VAL A 81 9.420 1.667 0.317 1.00 0.00 C ATOM 0 H VAL A 81 8.392 1.007 -1.754 1.00 0.00 H new ATOM 0 HA VAL A 81 7.906 -1.339 -0.162 1.00 0.00 H new ATOM 0 HB VAL A 81 8.962 0.059 1.631 1.00 0.00 H new ATOM 0 HG11 VAL A 81 11.203 -0.357 0.618 1.00 0.00 H new ATOM 0 HG12 VAL A 81 10.093 -1.706 0.281 1.00 0.00 H new ATOM 0 HG13 VAL A 81 10.445 -0.506 -0.985 1.00 0.00 H new ATOM 0 HG21 VAL A 81 10.312 1.957 0.873 1.00 0.00 H new ATOM 0 HG22 VAL A 81 9.586 1.833 -0.747 1.00 0.00 H new ATOM 0 HG23 VAL A 81 8.574 2.268 0.650 1.00 0.00 H new ATOM 1199 N GLY A 82 5.608 -0.398 -0.165 1.00 0.00 N ATOM 1200 CA GLY A 82 4.257 -0.264 0.204 1.00 0.00 C ATOM 1201 C GLY A 82 3.483 -1.155 -0.698 1.00 0.00 C ATOM 1202 O GLY A 82 4.080 -1.713 -1.614 1.00 0.00 O ATOM 0 H GLY A 82 5.735 -0.990 -0.986 1.00 0.00 H new ATOM 0 HA2 GLY A 82 4.110 -0.545 1.247 1.00 0.00 H new ATOM 0 HA3 GLY A 82 3.928 0.770 0.103 1.00 0.00 H new ATOM 1206 N ASP A 83 2.212 -1.303 -0.494 1.00 0.00 N ATOM 1207 CA ASP A 83 1.437 -2.163 -1.373 1.00 0.00 C ATOM 1208 C ASP A 83 1.342 -1.504 -2.724 1.00 0.00 C ATOM 1209 O ASP A 83 1.219 -0.265 -2.822 1.00 0.00 O ATOM 1210 CB ASP A 83 0.050 -2.439 -0.815 1.00 0.00 C ATOM 1211 CG ASP A 83 0.092 -2.888 0.617 1.00 0.00 C ATOM 1212 OD1 ASP A 83 0.621 -3.975 0.890 1.00 0.00 O ATOM 1213 OD2 ASP A 83 -0.371 -2.126 1.477 1.00 0.00 O ATOM 0 H ASP A 83 1.684 -0.855 0.255 1.00 0.00 H new ATOM 0 HA ASP A 83 1.940 -3.126 -1.458 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -0.557 -1.537 -0.893 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -0.437 -3.204 -1.419 1.00 0.00 H new ATOM 1218 N LEU A 84 1.455 -2.280 -3.752 1.00 0.00 N ATOM 1219 CA LEU A 84 1.478 -1.774 -5.091 1.00 0.00 C ATOM 1220 C LEU A 84 0.311 -2.307 -5.864 1.00 0.00 C ATOM 1221 O LEU A 84 0.079 -3.511 -5.936 1.00 0.00 O ATOM 1222 CB LEU A 84 2.856 -2.034 -5.813 1.00 0.00 C ATOM 1223 CG LEU A 84 3.268 -3.474 -6.263 1.00 0.00 C ATOM 1224 CD1 LEU A 84 3.047 -4.534 -5.198 1.00 0.00 C ATOM 1225 CD2 LEU A 84 2.657 -3.864 -7.611 1.00 0.00 C ATOM 0 H LEU A 84 1.535 -3.295 -3.688 1.00 0.00 H new ATOM 0 HA LEU A 84 1.381 -0.689 -5.043 1.00 0.00 H new ATOM 0 HB2 LEU A 84 2.875 -1.404 -6.702 1.00 0.00 H new ATOM 0 HB3 LEU A 84 3.639 -1.671 -5.148 1.00 0.00 H new ATOM 0 HG LEU A 84 4.348 -3.431 -6.408 1.00 0.00 H new ATOM 0 HD11 LEU A 84 3.355 -5.506 -5.583 1.00 0.00 H new ATOM 0 HD12 LEU A 84 3.636 -4.290 -4.314 1.00 0.00 H new ATOM 0 HD13 LEU A 84 1.991 -4.568 -4.932 1.00 0.00 H new ATOM 0 HD21 LEU A 84 2.975 -4.872 -7.876 1.00 0.00 H new ATOM 0 HD22 LEU A 84 1.570 -3.833 -7.540 1.00 0.00 H new ATOM 0 HD23 LEU A 84 2.991 -3.165 -8.378 1.00 0.00 H new ATOM 1237 N GLY A 85 -0.478 -1.426 -6.311 1.00 0.00 N ATOM 1238 CA GLY A 85 -1.557 -1.769 -7.110 1.00 0.00 C ATOM 1239 C GLY A 85 -2.320 -0.556 -7.387 1.00 0.00 C ATOM 1240 O GLY A 85 -1.919 0.549 -6.966 1.00 0.00 O ATOM 0 H GLY A 85 -0.387 -0.427 -6.126 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -1.213 -2.223 -8.039 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -2.183 -2.506 -6.608 1.00 0.00 H new ATOM 1244 N ASN A 86 -3.359 -0.708 -8.088 1.00 0.00 N ATOM 1245 CA ASN A 86 -4.304 0.353 -8.246 1.00 0.00 C ATOM 1246 C ASN A 86 -5.640 -0.234 -7.896 1.00 0.00 C ATOM 1247 O ASN A 86 -5.965 -1.328 -8.366 1.00 0.00 O ATOM 1248 CB ASN A 86 -4.310 0.909 -9.678 1.00 0.00 C ATOM 1249 CG ASN A 86 -5.196 2.142 -9.810 1.00 0.00 C ATOM 1250 OD1 ASN A 86 -5.362 2.908 -8.858 1.00 0.00 O ATOM 1251 ND2 ASN A 86 -5.753 2.352 -10.967 1.00 0.00 N ATOM 0 H ASN A 86 -3.599 -1.569 -8.580 1.00 0.00 H new ATOM 0 HA ASN A 86 -4.049 1.196 -7.603 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -3.291 1.162 -9.973 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -4.658 0.137 -10.365 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -6.347 3.170 -11.106 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -5.596 1.699 -11.735 1.00 0.00 H new ATOM 1258 N VAL A 87 -6.386 0.410 -7.039 1.00 0.00 N ATOM 1259 CA VAL A 87 -7.647 -0.101 -6.642 1.00 0.00 C ATOM 1260 C VAL A 87 -8.611 1.029 -6.705 1.00 0.00 C ATOM 1261 O VAL A 87 -8.202 2.158 -6.548 1.00 0.00 O ATOM 1262 CB VAL A 87 -7.595 -0.788 -5.224 1.00 0.00 C ATOM 1263 CG1 VAL A 87 -7.151 -2.236 -5.344 1.00 0.00 C ATOM 1264 CG2 VAL A 87 -6.618 -0.072 -4.302 1.00 0.00 C ATOM 0 H VAL A 87 -6.129 1.297 -6.605 1.00 0.00 H new ATOM 0 HA VAL A 87 -7.966 -0.898 -7.314 1.00 0.00 H new ATOM 0 HB VAL A 87 -8.601 -0.736 -4.808 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -7.122 -2.691 -4.354 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -7.854 -2.781 -5.973 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -6.158 -2.276 -5.791 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -6.603 -0.568 -3.332 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -5.620 -0.099 -4.738 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -6.931 0.964 -4.175 1.00 0.00 H new ATOM 1274 N THR A 88 -9.846 0.756 -7.015 1.00 0.00 N ATOM 1275 CA THR A 88 -10.828 1.776 -7.171 1.00 0.00 C ATOM 1276 C THR A 88 -12.094 1.276 -6.562 1.00 0.00 C ATOM 1277 O THR A 88 -12.648 0.292 -7.029 1.00 0.00 O ATOM 1278 CB THR A 88 -11.013 2.133 -8.668 1.00 0.00 C ATOM 1279 OG1 THR A 88 -9.730 2.555 -9.196 1.00 0.00 O ATOM 1280 CG2 THR A 88 -12.020 3.269 -8.835 1.00 0.00 C ATOM 0 H THR A 88 -10.197 -0.190 -7.167 1.00 0.00 H new ATOM 0 HA THR A 88 -10.516 2.693 -6.671 1.00 0.00 H new ATOM 0 HB THR A 88 -11.387 1.260 -9.202 1.00 0.00 H new ATOM 0 HG1 THR A 88 -9.398 3.318 -8.678 1.00 0.00 H new ATOM 0 HG21 THR A 88 -12.133 3.502 -9.894 1.00 0.00 H new ATOM 0 HG22 THR A 88 -12.983 2.965 -8.425 1.00 0.00 H new ATOM 0 HG23 THR A 88 -11.663 4.152 -8.305 1.00 0.00 H new ATOM 1288 N ALA A 89 -12.518 1.886 -5.489 1.00 0.00 N ATOM 1289 CA ALA A 89 -13.675 1.432 -4.820 1.00 0.00 C ATOM 1290 C ALA A 89 -14.894 1.999 -5.485 1.00 0.00 C ATOM 1291 O ALA A 89 -14.824 3.028 -6.163 1.00 0.00 O ATOM 1292 CB ALA A 89 -13.619 1.796 -3.347 1.00 0.00 C ATOM 0 H ALA A 89 -12.068 2.700 -5.069 1.00 0.00 H new ATOM 0 HA ALA A 89 -13.726 0.345 -4.881 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -14.520 1.437 -2.849 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -12.744 1.333 -2.891 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -13.553 2.879 -3.242 1.00 0.00 H new ATOM 1298 N ASP A 90 -15.950 1.286 -5.404 1.00 0.00 N ATOM 1299 CA ASP A 90 -17.206 1.770 -5.896 1.00 0.00 C ATOM 1300 C ASP A 90 -17.930 2.436 -4.712 1.00 0.00 C ATOM 1301 O ASP A 90 -17.400 2.458 -3.603 1.00 0.00 O ATOM 1302 CB ASP A 90 -18.015 0.586 -6.450 1.00 0.00 C ATOM 1303 CG ASP A 90 -19.151 0.994 -7.351 1.00 0.00 C ATOM 1304 OD1 ASP A 90 -20.241 1.292 -6.862 1.00 0.00 O ATOM 1305 OD2 ASP A 90 -18.962 1.024 -8.581 1.00 0.00 O ATOM 0 H ASP A 90 -15.982 0.351 -4.998 1.00 0.00 H new ATOM 0 HA ASP A 90 -17.077 2.493 -6.701 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -17.345 -0.073 -7.002 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -18.414 0.009 -5.616 1.00 0.00 H new ATOM 1310 N LYS A 91 -19.117 2.936 -4.930 1.00 0.00 N ATOM 1311 CA LYS A 91 -19.952 3.577 -3.902 1.00 0.00 C ATOM 1312 C LYS A 91 -20.303 2.604 -2.761 1.00 0.00 C ATOM 1313 O LYS A 91 -20.757 3.004 -1.705 1.00 0.00 O ATOM 1314 CB LYS A 91 -21.262 4.097 -4.519 1.00 0.00 C ATOM 1315 CG LYS A 91 -22.173 2.999 -5.047 1.00 0.00 C ATOM 1316 CD LYS A 91 -23.484 3.540 -5.569 1.00 0.00 C ATOM 1317 CE LYS A 91 -24.403 2.409 -6.017 1.00 0.00 C ATOM 1318 NZ LYS A 91 -24.733 1.479 -4.911 1.00 0.00 N ATOM 0 H LYS A 91 -19.559 2.917 -5.849 1.00 0.00 H new ATOM 0 HA LYS A 91 -19.371 4.405 -3.495 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -21.802 4.674 -3.768 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -21.022 4.780 -5.334 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -21.662 2.459 -5.845 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -22.370 2.281 -4.251 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -23.975 4.126 -4.792 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -23.296 4.214 -6.405 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -25.324 2.831 -6.421 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -23.925 1.854 -6.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -25.584 0.935 -5.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -23.938 0.827 -4.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -24.909 2.022 -4.042 1.00 0.00 H new ATOM 1332 N ASP A 92 -20.124 1.343 -2.996 1.00 0.00 N ATOM 1333 CA ASP A 92 -20.395 0.336 -1.982 1.00 0.00 C ATOM 1334 C ASP A 92 -19.113 -0.065 -1.298 1.00 0.00 C ATOM 1335 O ASP A 92 -19.109 -0.923 -0.419 1.00 0.00 O ATOM 1336 CB ASP A 92 -21.088 -0.894 -2.586 1.00 0.00 C ATOM 1337 CG ASP A 92 -22.522 -0.633 -2.994 1.00 0.00 C ATOM 1338 OD1 ASP A 92 -22.770 -0.159 -4.131 1.00 0.00 O ATOM 1339 OD2 ASP A 92 -23.432 -0.906 -2.201 1.00 0.00 O ATOM 0 H ASP A 92 -19.789 0.970 -3.884 1.00 0.00 H new ATOM 0 HA ASP A 92 -21.072 0.769 -1.246 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -20.525 -1.228 -3.457 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -21.066 -1.707 -1.861 1.00 0.00 H new ATOM 1344 N GLY A 93 -18.030 0.620 -1.664 1.00 0.00 N ATOM 1345 CA GLY A 93 -16.724 0.294 -1.168 1.00 0.00 C ATOM 1346 C GLY A 93 -16.308 -1.105 -1.546 1.00 0.00 C ATOM 1347 O GLY A 93 -16.435 -2.019 -0.759 1.00 0.00 O ATOM 0 H GLY A 93 -18.049 1.409 -2.310 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -15.999 1.006 -1.561 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -16.713 0.394 -0.083 1.00 0.00 H new ATOM 1351 N VAL A 94 -15.797 -1.247 -2.738 1.00 0.00 N ATOM 1352 CA VAL A 94 -15.389 -2.513 -3.309 1.00 0.00 C ATOM 1353 C VAL A 94 -14.354 -2.201 -4.356 1.00 0.00 C ATOM 1354 O VAL A 94 -14.647 -1.525 -5.337 1.00 0.00 O ATOM 1355 CB VAL A 94 -16.577 -3.374 -3.939 1.00 0.00 C ATOM 1356 CG1 VAL A 94 -17.440 -4.032 -2.868 1.00 0.00 C ATOM 1357 CG2 VAL A 94 -17.470 -2.539 -4.852 1.00 0.00 C ATOM 0 H VAL A 94 -15.645 -0.458 -3.366 1.00 0.00 H new ATOM 0 HA VAL A 94 -14.999 -3.139 -2.506 1.00 0.00 H new ATOM 0 HB VAL A 94 -16.094 -4.151 -4.531 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -18.235 -4.607 -3.344 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -16.824 -4.697 -2.262 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -17.879 -3.264 -2.232 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -18.264 -3.166 -5.258 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -17.910 -1.721 -4.282 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -16.875 -2.132 -5.670 1.00 0.00 H new ATOM 1367 N ALA A 95 -13.138 -2.570 -4.107 1.00 0.00 N ATOM 1368 CA ALA A 95 -12.101 -2.288 -5.028 1.00 0.00 C ATOM 1369 C ALA A 95 -11.470 -3.552 -5.514 1.00 0.00 C ATOM 1370 O ALA A 95 -11.040 -4.388 -4.700 1.00 0.00 O ATOM 1371 CB ALA A 95 -11.069 -1.386 -4.392 1.00 0.00 C ATOM 0 H ALA A 95 -12.845 -3.069 -3.267 1.00 0.00 H new ATOM 0 HA ALA A 95 -12.530 -1.772 -5.887 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -10.277 -1.176 -5.111 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -11.540 -0.451 -4.089 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -10.645 -1.879 -3.517 1.00 0.00 H new ATOM 1377 N ASP A 96 -11.463 -3.719 -6.814 1.00 0.00 N ATOM 1378 CA ASP A 96 -10.814 -4.849 -7.438 1.00 0.00 C ATOM 1379 C ASP A 96 -9.350 -4.516 -7.611 1.00 0.00 C ATOM 1380 O ASP A 96 -8.997 -3.353 -7.861 1.00 0.00 O ATOM 1381 CB ASP A 96 -11.452 -5.166 -8.787 1.00 0.00 C ATOM 1382 CG ASP A 96 -10.890 -6.414 -9.420 1.00 0.00 C ATOM 1383 OD1 ASP A 96 -11.258 -7.520 -8.984 1.00 0.00 O ATOM 1384 OD2 ASP A 96 -10.098 -6.314 -10.381 1.00 0.00 O ATOM 0 H ASP A 96 -11.907 -3.076 -7.470 1.00 0.00 H new ATOM 0 HA ASP A 96 -10.926 -5.732 -6.808 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -12.528 -5.283 -8.656 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -11.303 -4.323 -9.462 1.00 0.00 H new ATOM 1389 N VAL A 97 -8.515 -5.498 -7.481 1.00 0.00 N ATOM 1390 CA VAL A 97 -7.089 -5.299 -7.486 1.00 0.00 C ATOM 1391 C VAL A 97 -6.497 -5.253 -8.881 1.00 0.00 C ATOM 1392 O VAL A 97 -6.715 -6.151 -9.709 1.00 0.00 O ATOM 1393 CB VAL A 97 -6.373 -6.400 -6.655 1.00 0.00 C ATOM 1394 CG1 VAL A 97 -6.667 -7.796 -7.196 1.00 0.00 C ATOM 1395 CG2 VAL A 97 -4.870 -6.150 -6.555 1.00 0.00 C ATOM 0 H VAL A 97 -8.800 -6.471 -7.367 1.00 0.00 H new ATOM 0 HA VAL A 97 -6.923 -4.323 -7.029 1.00 0.00 H new ATOM 0 HB VAL A 97 -6.779 -6.348 -5.645 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -6.149 -8.538 -6.589 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -7.740 -7.982 -7.159 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -6.322 -7.867 -8.228 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -4.408 -6.942 -5.966 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -4.435 -6.140 -7.555 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -4.692 -5.189 -6.073 1.00 0.00 H new ATOM 1405 N SER A 98 -5.788 -4.205 -9.151 1.00 0.00 N ATOM 1406 CA SER A 98 -5.005 -4.163 -10.316 1.00 0.00 C ATOM 1407 C SER A 98 -3.645 -4.711 -9.921 1.00 0.00 C ATOM 1408 O SER A 98 -2.953 -4.131 -9.073 1.00 0.00 O ATOM 1409 CB SER A 98 -4.890 -2.739 -10.868 1.00 0.00 C ATOM 1410 OG SER A 98 -4.286 -2.718 -12.163 1.00 0.00 O ATOM 0 H SER A 98 -5.743 -3.368 -8.569 1.00 0.00 H new ATOM 0 HA SER A 98 -5.457 -4.753 -11.114 1.00 0.00 H new ATOM 0 HB2 SER A 98 -5.881 -2.289 -10.922 1.00 0.00 H new ATOM 0 HB3 SER A 98 -4.301 -2.130 -10.182 1.00 0.00 H new ATOM 0 HG SER A 98 -3.312 -2.670 -12.069 1.00 0.00 H new ATOM 1416 N ILE A 99 -3.296 -5.821 -10.496 1.00 0.00 N ATOM 1417 CA ILE A 99 -2.036 -6.477 -10.225 1.00 0.00 C ATOM 1418 C ILE A 99 -1.048 -5.961 -11.248 1.00 0.00 C ATOM 1419 O ILE A 99 -1.232 -6.154 -12.431 1.00 0.00 O ATOM 1420 CB ILE A 99 -2.194 -7.998 -10.501 1.00 0.00 C ATOM 1421 CG1 ILE A 99 -3.447 -8.551 -9.809 1.00 0.00 C ATOM 1422 CG2 ILE A 99 -0.946 -8.769 -10.064 1.00 0.00 C ATOM 1423 CD1 ILE A 99 -3.767 -9.983 -10.178 1.00 0.00 C ATOM 0 H ILE A 99 -3.879 -6.309 -11.176 1.00 0.00 H new ATOM 0 HA ILE A 99 -1.720 -6.295 -9.198 1.00 0.00 H new ATOM 0 HB ILE A 99 -2.312 -8.133 -11.576 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -3.313 -8.485 -8.729 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -4.299 -7.921 -10.064 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -1.084 -9.831 -10.269 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -0.080 -8.403 -10.616 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -0.784 -8.623 -8.996 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -4.665 -10.303 -9.650 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -3.934 -10.053 -11.253 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -2.933 -10.626 -9.898 1.00 0.00 H new ATOM 1435 N GLU A 100 -0.013 -5.317 -10.781 1.00 0.00 N ATOM 1436 CA GLU A 100 0.958 -4.680 -11.647 1.00 0.00 C ATOM 1437 C GLU A 100 2.260 -5.454 -11.661 1.00 0.00 C ATOM 1438 O GLU A 100 2.574 -6.182 -10.701 1.00 0.00 O ATOM 1439 CB GLU A 100 1.214 -3.247 -11.182 1.00 0.00 C ATOM 1440 CG GLU A 100 -0.019 -2.346 -11.183 1.00 0.00 C ATOM 1441 CD GLU A 100 -0.608 -2.163 -12.560 1.00 0.00 C ATOM 1442 OE1 GLU A 100 -0.011 -1.449 -13.380 1.00 0.00 O ATOM 1443 OE2 GLU A 100 -1.697 -2.708 -12.843 1.00 0.00 O ATOM 0 H GLU A 100 0.187 -5.215 -9.786 1.00 0.00 H new ATOM 0 HA GLU A 100 0.554 -4.665 -12.659 1.00 0.00 H new ATOM 0 HB2 GLU A 100 1.626 -3.275 -10.173 1.00 0.00 H new ATOM 0 HB3 GLU A 100 1.974 -2.801 -11.824 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -0.775 -2.772 -10.523 1.00 0.00 H new ATOM 0 HG3 GLU A 100 0.248 -1.371 -10.775 1.00 0.00 H new ATOM 1450 N ASP A 101 3.019 -5.295 -12.718 1.00 0.00 N ATOM 1451 CA ASP A 101 4.292 -5.970 -12.821 1.00 0.00 C ATOM 1452 C ASP A 101 5.332 -5.201 -12.047 1.00 0.00 C ATOM 1453 O ASP A 101 5.883 -4.195 -12.508 1.00 0.00 O ATOM 1454 CB ASP A 101 4.720 -6.163 -14.276 1.00 0.00 C ATOM 1455 CG ASP A 101 3.758 -7.023 -15.048 1.00 0.00 C ATOM 1456 OD1 ASP A 101 3.835 -8.259 -14.946 1.00 0.00 O ATOM 1457 OD2 ASP A 101 2.892 -6.474 -15.760 1.00 0.00 O ATOM 0 H ASP A 101 2.780 -4.707 -13.516 1.00 0.00 H new ATOM 0 HA ASP A 101 4.188 -6.966 -12.392 1.00 0.00 H new ATOM 0 HB2 ASP A 101 4.802 -5.190 -14.760 1.00 0.00 H new ATOM 0 HB3 ASP A 101 5.711 -6.617 -14.303 1.00 0.00 H new ATOM 1462 N SER A 102 5.568 -5.684 -10.902 1.00 0.00 N ATOM 1463 CA SER A 102 6.434 -5.121 -9.934 1.00 0.00 C ATOM 1464 C SER A 102 7.785 -5.793 -9.988 1.00 0.00 C ATOM 1465 O SER A 102 7.963 -6.765 -10.735 1.00 0.00 O ATOM 1466 CB SER A 102 5.748 -5.337 -8.625 1.00 0.00 C ATOM 1467 OG SER A 102 4.891 -6.482 -8.758 1.00 0.00 O ATOM 0 H SER A 102 5.133 -6.549 -10.582 1.00 0.00 H new ATOM 0 HA SER A 102 6.623 -4.061 -10.102 1.00 0.00 H new ATOM 0 HB2 SER A 102 6.480 -5.498 -7.833 1.00 0.00 H new ATOM 0 HB3 SER A 102 5.168 -4.457 -8.349 1.00 0.00 H new ATOM 0 HG SER A 102 4.048 -6.212 -9.178 1.00 0.00 H new ATOM 1473 N VAL A 103 8.744 -5.274 -9.270 1.00 0.00 N ATOM 1474 CA VAL A 103 10.057 -5.842 -9.325 1.00 0.00 C ATOM 1475 C VAL A 103 10.411 -6.571 -8.014 1.00 0.00 C ATOM 1476 O VAL A 103 10.599 -7.793 -8.004 1.00 0.00 O ATOM 1477 CB VAL A 103 11.115 -4.739 -9.640 1.00 0.00 C ATOM 1478 CG1 VAL A 103 12.490 -5.335 -9.860 1.00 0.00 C ATOM 1479 CG2 VAL A 103 10.698 -3.932 -10.864 1.00 0.00 C ATOM 0 H VAL A 103 8.641 -4.471 -8.650 1.00 0.00 H new ATOM 0 HA VAL A 103 10.068 -6.579 -10.128 1.00 0.00 H new ATOM 0 HB VAL A 103 11.166 -4.078 -8.775 1.00 0.00 H new ATOM 0 HG11 VAL A 103 13.201 -4.538 -10.077 1.00 0.00 H new ATOM 0 HG12 VAL A 103 12.804 -5.867 -8.962 1.00 0.00 H new ATOM 0 HG13 VAL A 103 12.456 -6.029 -10.700 1.00 0.00 H new ATOM 0 HG21 VAL A 103 11.448 -3.168 -11.069 1.00 0.00 H new ATOM 0 HG22 VAL A 103 10.612 -4.595 -11.725 1.00 0.00 H new ATOM 0 HG23 VAL A 103 9.736 -3.455 -10.675 1.00 0.00 H new ATOM 1489 N ILE A 104 10.502 -5.828 -6.915 1.00 0.00 N ATOM 1490 CA ILE A 104 10.878 -6.415 -5.614 1.00 0.00 C ATOM 1491 C ILE A 104 9.927 -5.894 -4.507 1.00 0.00 C ATOM 1492 O ILE A 104 10.274 -5.866 -3.326 1.00 0.00 O ATOM 1493 CB ILE A 104 12.359 -6.064 -5.224 1.00 0.00 C ATOM 1494 CG1 ILE A 104 13.303 -6.152 -6.430 1.00 0.00 C ATOM 1495 CG2 ILE A 104 12.861 -7.037 -4.143 1.00 0.00 C ATOM 1496 CD1 ILE A 104 14.739 -5.758 -6.130 1.00 0.00 C ATOM 0 H ILE A 104 10.324 -4.824 -6.889 1.00 0.00 H new ATOM 0 HA ILE A 104 10.794 -7.498 -5.706 1.00 0.00 H new ATOM 0 HB ILE A 104 12.360 -5.040 -4.852 1.00 0.00 H new ATOM 0 HG12 ILE A 104 13.291 -7.173 -6.812 1.00 0.00 H new ATOM 0 HG13 ILE A 104 12.921 -5.510 -7.223 1.00 0.00 H new ATOM 0 HG21 ILE A 104 13.888 -6.788 -3.878 1.00 0.00 H new ATOM 0 HG22 ILE A 104 12.228 -6.957 -3.259 1.00 0.00 H new ATOM 0 HG23 ILE A 104 12.823 -8.057 -4.525 1.00 0.00 H new ATOM 0 HD11 ILE A 104 15.338 -5.849 -7.036 1.00 0.00 H new ATOM 0 HD12 ILE A 104 14.767 -4.727 -5.778 1.00 0.00 H new ATOM 0 HD13 ILE A 104 15.143 -6.415 -5.360 1.00 0.00 H new ATOM 1508 N SER A 105 8.744 -5.500 -4.886 1.00 0.00 N ATOM 1509 CA SER A 105 7.844 -4.805 -3.980 1.00 0.00 C ATOM 1510 C SER A 105 7.272 -5.670 -2.817 1.00 0.00 C ATOM 1511 O SER A 105 6.273 -6.385 -2.965 1.00 0.00 O ATOM 1512 CB SER A 105 6.714 -4.159 -4.808 1.00 0.00 C ATOM 1513 OG SER A 105 5.821 -3.383 -4.026 1.00 0.00 O ATOM 0 H SER A 105 8.369 -5.645 -5.823 1.00 0.00 H new ATOM 0 HA SER A 105 8.437 -4.046 -3.469 1.00 0.00 H new ATOM 0 HB2 SER A 105 7.154 -3.527 -5.580 1.00 0.00 H new ATOM 0 HB3 SER A 105 6.153 -4.942 -5.318 1.00 0.00 H new ATOM 0 HG SER A 105 6.302 -3.001 -3.263 1.00 0.00 H new ATOM 1519 N LEU A 106 8.007 -5.695 -1.735 1.00 0.00 N ATOM 1520 CA LEU A 106 7.483 -6.071 -0.460 1.00 0.00 C ATOM 1521 C LEU A 106 7.151 -4.769 0.205 1.00 0.00 C ATOM 1522 O LEU A 106 7.923 -3.794 0.081 1.00 0.00 O ATOM 1523 CB LEU A 106 8.470 -6.914 0.422 1.00 0.00 C ATOM 1524 CG LEU A 106 9.777 -6.275 0.970 1.00 0.00 C ATOM 1525 CD1 LEU A 106 10.495 -7.282 1.851 1.00 0.00 C ATOM 1526 CD2 LEU A 106 10.720 -5.818 -0.138 1.00 0.00 C ATOM 0 H LEU A 106 8.997 -5.451 -1.721 1.00 0.00 H new ATOM 0 HA LEU A 106 6.624 -6.730 -0.586 1.00 0.00 H new ATOM 0 HB2 LEU A 106 7.905 -7.278 1.280 1.00 0.00 H new ATOM 0 HB3 LEU A 106 8.759 -7.787 -0.163 1.00 0.00 H new ATOM 0 HG LEU A 106 9.491 -5.391 1.540 1.00 0.00 H new ATOM 0 HD11 LEU A 106 11.412 -6.838 2.238 1.00 0.00 H new ATOM 0 HD12 LEU A 106 9.849 -7.563 2.683 1.00 0.00 H new ATOM 0 HD13 LEU A 106 10.739 -8.168 1.266 1.00 0.00 H new ATOM 0 HD21 LEU A 106 11.615 -5.380 0.304 1.00 0.00 H new ATOM 0 HD22 LEU A 106 11.000 -6.673 -0.753 1.00 0.00 H new ATOM 0 HD23 LEU A 106 10.220 -5.074 -0.757 1.00 0.00 H new ATOM 1538 N SER A 107 6.028 -4.693 0.827 1.00 0.00 N ATOM 1539 CA SER A 107 5.596 -3.460 1.402 1.00 0.00 C ATOM 1540 C SER A 107 6.405 -3.071 2.658 1.00 0.00 C ATOM 1541 O SER A 107 6.054 -3.389 3.789 1.00 0.00 O ATOM 1542 CB SER A 107 4.111 -3.566 1.724 1.00 0.00 C ATOM 1543 OG SER A 107 3.386 -4.036 0.592 1.00 0.00 O ATOM 0 H SER A 107 5.384 -5.474 0.953 1.00 0.00 H new ATOM 0 HA SER A 107 5.769 -2.665 0.676 1.00 0.00 H new ATOM 0 HB2 SER A 107 3.963 -4.244 2.565 1.00 0.00 H new ATOM 0 HB3 SER A 107 3.729 -2.592 2.029 1.00 0.00 H new ATOM 0 HG SER A 107 2.954 -4.888 0.811 1.00 0.00 H new ATOM 1549 N GLY A 108 7.494 -2.419 2.423 1.00 0.00 N ATOM 1550 CA GLY A 108 8.244 -1.823 3.456 1.00 0.00 C ATOM 1551 C GLY A 108 9.719 -1.921 3.202 1.00 0.00 C ATOM 1552 O GLY A 108 10.219 -2.977 2.811 1.00 0.00 O ATOM 0 H GLY A 108 7.887 -2.288 1.491 1.00 0.00 H new ATOM 0 HA2 GLY A 108 7.961 -0.775 3.552 1.00 0.00 H new ATOM 0 HA3 GLY A 108 8.006 -2.306 4.404 1.00 0.00 H new ATOM 1556 N ASP A 109 10.431 -0.829 3.428 1.00 0.00 N ATOM 1557 CA ASP A 109 11.868 -0.791 3.160 1.00 0.00 C ATOM 1558 C ASP A 109 12.665 -1.132 4.388 1.00 0.00 C ATOM 1559 O ASP A 109 13.790 -1.615 4.286 1.00 0.00 O ATOM 1560 CB ASP A 109 12.303 0.594 2.663 1.00 0.00 C ATOM 1561 CG ASP A 109 12.268 1.639 3.736 1.00 0.00 C ATOM 1562 OD1 ASP A 109 11.182 1.930 4.263 1.00 0.00 O ATOM 1563 OD2 ASP A 109 13.329 2.200 4.061 1.00 0.00 O ATOM 0 H ASP A 109 10.044 0.041 3.794 1.00 0.00 H new ATOM 0 HA ASP A 109 12.061 -1.534 2.386 1.00 0.00 H new ATOM 0 HB2 ASP A 109 13.314 0.528 2.260 1.00 0.00 H new ATOM 0 HB3 ASP A 109 11.653 0.901 1.844 1.00 0.00 H new ATOM 1568 N HIS A 110 12.117 -0.856 5.553 1.00 0.00 N ATOM 1569 CA HIS A 110 12.852 -1.144 6.768 1.00 0.00 C ATOM 1570 C HIS A 110 12.519 -2.534 7.256 1.00 0.00 C ATOM 1571 O HIS A 110 13.294 -3.158 7.967 1.00 0.00 O ATOM 1572 CB HIS A 110 12.639 -0.065 7.836 1.00 0.00 C ATOM 1573 CG HIS A 110 13.267 1.268 7.480 1.00 0.00 C ATOM 1574 ND1 HIS A 110 12.537 2.386 7.136 1.00 0.00 N ATOM 1575 CD2 HIS A 110 14.569 1.657 7.447 1.00 0.00 C ATOM 1576 CE1 HIS A 110 13.361 3.394 6.915 1.00 0.00 C ATOM 1577 NE2 HIS A 110 14.596 2.981 7.093 1.00 0.00 N ATOM 0 H HIS A 110 11.193 -0.445 5.685 1.00 0.00 H new ATOM 0 HA HIS A 110 13.919 -1.122 6.545 1.00 0.00 H new ATOM 0 HB2 HIS A 110 11.569 0.076 7.991 1.00 0.00 H new ATOM 0 HB3 HIS A 110 13.055 -0.413 8.781 1.00 0.00 H new ATOM 0 HD2 HIS A 110 15.426 1.036 7.661 1.00 0.00 H new ATOM 0 HE1 HIS A 110 13.068 4.395 6.634 1.00 0.00 H new ATOM 0 HE2 HIS A 110 15.435 3.551 6.986 1.00 0.00 H new ATOM 1586 N SER A 111 11.359 -2.985 6.835 1.00 0.00 N ATOM 1587 CA SER A 111 10.841 -4.301 7.015 1.00 0.00 C ATOM 1588 C SER A 111 9.464 -4.240 6.404 1.00 0.00 C ATOM 1589 O SER A 111 9.053 -3.165 5.974 1.00 0.00 O ATOM 1590 CB SER A 111 10.790 -4.739 8.499 1.00 0.00 C ATOM 1591 OG SER A 111 10.292 -6.070 8.640 1.00 0.00 O ATOM 0 H SER A 111 10.713 -2.387 6.320 1.00 0.00 H new ATOM 0 HA SER A 111 11.481 -5.048 6.546 1.00 0.00 H new ATOM 0 HB2 SER A 111 11.789 -4.676 8.931 1.00 0.00 H new ATOM 0 HB3 SER A 111 10.156 -4.052 9.060 1.00 0.00 H new ATOM 0 HG SER A 111 10.275 -6.314 9.589 1.00 0.00 H new ATOM 1597 N ILE A 112 8.769 -5.318 6.410 1.00 0.00 N ATOM 1598 CA ILE A 112 7.500 -5.460 5.797 1.00 0.00 C ATOM 1599 C ILE A 112 6.426 -5.674 6.867 1.00 0.00 C ATOM 1600 O ILE A 112 5.519 -4.879 6.994 1.00 0.00 O ATOM 1601 CB ILE A 112 7.566 -6.637 4.743 1.00 0.00 C ATOM 1602 CG1 ILE A 112 6.208 -7.244 4.407 1.00 0.00 C ATOM 1603 CG2 ILE A 112 8.541 -7.721 5.162 1.00 0.00 C ATOM 1604 CD1 ILE A 112 5.227 -6.313 3.782 1.00 0.00 C ATOM 0 H ILE A 112 9.088 -6.172 6.868 1.00 0.00 H new ATOM 0 HA ILE A 112 7.227 -4.553 5.259 1.00 0.00 H new ATOM 0 HB ILE A 112 7.933 -6.171 3.828 1.00 0.00 H new ATOM 0 HG12 ILE A 112 6.363 -8.087 3.733 1.00 0.00 H new ATOM 0 HG13 ILE A 112 5.771 -7.643 5.322 1.00 0.00 H new ATOM 0 HG21 ILE A 112 8.554 -8.509 4.409 1.00 0.00 H new ATOM 0 HG22 ILE A 112 9.540 -7.295 5.259 1.00 0.00 H new ATOM 0 HG23 ILE A 112 8.231 -8.139 6.120 1.00 0.00 H new ATOM 0 HD11 ILE A 112 4.296 -6.845 3.584 1.00 0.00 H new ATOM 0 HD12 ILE A 112 5.033 -5.481 4.459 1.00 0.00 H new ATOM 0 HD13 ILE A 112 5.633 -5.931 2.845 1.00 0.00 H new ATOM 1616 N ILE A 113 6.600 -6.692 7.690 1.00 0.00 N ATOM 1617 CA ILE A 113 5.617 -7.040 8.713 1.00 0.00 C ATOM 1618 C ILE A 113 5.585 -5.959 9.774 1.00 0.00 C ATOM 1619 O ILE A 113 6.593 -5.657 10.343 1.00 0.00 O ATOM 1620 CB ILE A 113 5.978 -8.385 9.401 1.00 0.00 C ATOM 1621 CG1 ILE A 113 6.204 -9.483 8.358 1.00 0.00 C ATOM 1622 CG2 ILE A 113 4.873 -8.799 10.381 1.00 0.00 C ATOM 1623 CD1 ILE A 113 6.701 -10.791 8.944 1.00 0.00 C ATOM 0 H ILE A 113 7.419 -7.300 7.673 1.00 0.00 H new ATOM 0 HA ILE A 113 4.646 -7.134 8.227 1.00 0.00 H new ATOM 0 HB ILE A 113 6.904 -8.246 9.959 1.00 0.00 H new ATOM 0 HG12 ILE A 113 5.269 -9.665 7.828 1.00 0.00 H new ATOM 0 HG13 ILE A 113 6.925 -9.129 7.621 1.00 0.00 H new ATOM 0 HG21 ILE A 113 5.142 -9.743 10.854 1.00 0.00 H new ATOM 0 HG22 ILE A 113 4.757 -8.030 11.145 1.00 0.00 H new ATOM 0 HG23 ILE A 113 3.934 -8.918 9.841 1.00 0.00 H new ATOM 0 HD11 ILE A 113 6.837 -11.519 8.145 1.00 0.00 H new ATOM 0 HD12 ILE A 113 7.652 -10.625 9.450 1.00 0.00 H new ATOM 0 HD13 ILE A 113 5.971 -11.170 9.659 1.00 0.00 H new ATOM 1635 N GLY A 114 4.467 -5.325 9.968 1.00 0.00 N ATOM 1636 CA GLY A 114 4.359 -4.368 11.025 1.00 0.00 C ATOM 1637 C GLY A 114 4.128 -3.035 10.450 1.00 0.00 C ATOM 1638 O GLY A 114 3.627 -2.133 11.112 1.00 0.00 O ATOM 0 H GLY A 114 3.622 -5.453 9.411 1.00 0.00 H new ATOM 0 HA2 GLY A 114 3.540 -4.636 11.692 1.00 0.00 H new ATOM 0 HA3 GLY A 114 5.270 -4.366 11.624 1.00 0.00 H new ATOM 1642 N ARG A 115 4.461 -2.925 9.184 1.00 0.00 N ATOM 1643 CA ARG A 115 4.344 -1.709 8.469 1.00 0.00 C ATOM 1644 C ARG A 115 2.911 -1.477 8.173 1.00 0.00 C ATOM 1645 O ARG A 115 2.219 -2.365 7.778 1.00 0.00 O ATOM 1646 CB ARG A 115 5.259 -1.708 7.224 1.00 0.00 C ATOM 1647 CG ARG A 115 6.753 -1.497 7.573 1.00 0.00 C ATOM 1648 CD ARG A 115 7.309 -2.554 8.547 1.00 0.00 C ATOM 1649 NE ARG A 115 8.566 -2.144 9.211 1.00 0.00 N ATOM 1650 CZ ARG A 115 9.032 -2.692 10.364 1.00 0.00 C ATOM 1651 NH1 ARG A 115 8.444 -3.759 10.875 1.00 0.00 N ATOM 1652 NH2 ARG A 115 10.105 -2.189 10.979 1.00 0.00 N ATOM 0 H ARG A 115 4.825 -3.699 8.628 1.00 0.00 H new ATOM 0 HA ARG A 115 4.694 -0.869 9.068 1.00 0.00 H new ATOM 0 HB2 ARG A 115 5.145 -2.654 6.695 1.00 0.00 H new ATOM 0 HB3 ARG A 115 4.936 -0.921 6.543 1.00 0.00 H new ATOM 0 HG2 ARG A 115 7.339 -1.516 6.654 1.00 0.00 H new ATOM 0 HG3 ARG A 115 6.880 -0.507 8.012 1.00 0.00 H new ATOM 0 HD2 ARG A 115 6.558 -2.765 9.308 1.00 0.00 H new ATOM 0 HD3 ARG A 115 7.481 -3.483 8.003 1.00 0.00 H new ATOM 0 HE ARG A 115 9.117 -1.404 8.776 1.00 0.00 H new ATOM 0 HH11 ARG A 115 7.639 -4.173 10.404 1.00 0.00 H new ATOM 0 HH12 ARG A 115 8.795 -4.169 11.740 1.00 0.00 H new ATOM 0 HH21 ARG A 115 10.588 -1.382 10.584 1.00 0.00 H new ATOM 0 HH22 ARG A 115 10.442 -2.612 11.844 1.00 0.00 H new ATOM 1666 N THR A 116 2.460 -0.349 8.500 1.00 0.00 N ATOM 1667 CA THR A 116 1.114 -0.012 8.391 1.00 0.00 C ATOM 1668 C THR A 116 0.759 0.653 7.043 1.00 0.00 C ATOM 1669 O THR A 116 1.411 1.594 6.603 1.00 0.00 O ATOM 1670 CB THR A 116 0.816 0.839 9.601 1.00 0.00 C ATOM 1671 OG1 THR A 116 2.079 1.411 10.079 1.00 0.00 O ATOM 1672 CG2 THR A 116 0.259 -0.026 10.702 1.00 0.00 C ATOM 0 H THR A 116 3.044 0.402 8.869 1.00 0.00 H new ATOM 0 HA THR A 116 0.479 -0.898 8.382 1.00 0.00 H new ATOM 0 HB THR A 116 0.100 1.617 9.336 1.00 0.00 H new ATOM 0 HG1 THR A 116 2.008 1.605 11.037 1.00 0.00 H new ATOM 0 HG21 THR A 116 0.044 0.590 11.575 1.00 0.00 H new ATOM 0 HG22 THR A 116 -0.659 -0.504 10.360 1.00 0.00 H new ATOM 0 HG23 THR A 116 0.989 -0.791 10.968 1.00 0.00 H new ATOM 1680 N LEU A 117 -0.235 0.107 6.371 1.00 0.00 N ATOM 1681 CA LEU A 117 -0.629 0.605 5.065 1.00 0.00 C ATOM 1682 C LEU A 117 -1.424 1.885 5.150 1.00 0.00 C ATOM 1683 O LEU A 117 -2.273 2.045 6.011 1.00 0.00 O ATOM 1684 CB LEU A 117 -1.408 -0.435 4.203 1.00 0.00 C ATOM 1685 CG LEU A 117 -2.924 -0.642 4.444 1.00 0.00 C ATOM 1686 CD1 LEU A 117 -3.497 -1.567 3.389 1.00 0.00 C ATOM 1687 CD2 LEU A 117 -3.203 -1.220 5.796 1.00 0.00 C ATOM 0 H LEU A 117 -0.786 -0.683 6.707 1.00 0.00 H new ATOM 0 HA LEU A 117 0.316 0.807 4.561 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -1.279 -0.155 3.157 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -0.921 -1.401 4.337 1.00 0.00 H new ATOM 0 HG LEU A 117 -3.395 0.339 4.385 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -4.563 -1.706 3.567 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -3.348 -1.129 2.402 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -2.992 -2.532 3.438 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -4.278 -1.348 5.922 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -2.709 -2.187 5.887 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -2.825 -0.546 6.565 1.00 0.00 H new ATOM 1699 N VAL A 118 -1.104 2.812 4.278 1.00 0.00 N ATOM 1700 CA VAL A 118 -1.910 4.003 4.128 1.00 0.00 C ATOM 1701 C VAL A 118 -2.539 4.081 2.758 1.00 0.00 C ATOM 1702 O VAL A 118 -1.880 4.518 1.752 1.00 0.00 O ATOM 1703 CB VAL A 118 -1.175 5.324 4.454 1.00 0.00 C ATOM 1704 CG1 VAL A 118 -1.201 5.577 5.936 1.00 0.00 C ATOM 1705 CG2 VAL A 118 0.267 5.286 3.953 1.00 0.00 C ATOM 0 H VAL A 118 -0.292 2.766 3.662 1.00 0.00 H new ATOM 0 HA VAL A 118 -2.692 3.899 4.880 1.00 0.00 H new ATOM 0 HB VAL A 118 -1.691 6.137 3.943 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -0.681 6.509 6.155 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -2.235 5.650 6.275 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -0.706 4.755 6.454 1.00 0.00 H new ATOM 0 HG21 VAL A 118 0.761 6.227 4.195 1.00 0.00 H new ATOM 0 HG22 VAL A 118 0.797 4.464 4.433 1.00 0.00 H new ATOM 0 HG23 VAL A 118 0.273 5.140 2.873 1.00 0.00 H new ATOM 1715 N VAL A 119 -3.789 3.690 2.741 1.00 0.00 N ATOM 1716 CA VAL A 119 -4.679 3.677 1.603 1.00 0.00 C ATOM 1717 C VAL A 119 -6.072 3.959 2.192 1.00 0.00 C ATOM 1718 O VAL A 119 -6.174 4.076 3.402 1.00 0.00 O ATOM 1719 CB VAL A 119 -4.662 2.288 0.885 1.00 0.00 C ATOM 1720 CG1 VAL A 119 -5.312 1.198 1.736 1.00 0.00 C ATOM 1721 CG2 VAL A 119 -5.281 2.355 -0.514 1.00 0.00 C ATOM 0 H VAL A 119 -4.247 3.346 3.585 1.00 0.00 H new ATOM 0 HA VAL A 119 -4.385 4.411 0.853 1.00 0.00 H new ATOM 0 HB VAL A 119 -3.614 2.015 0.757 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -5.279 0.250 1.200 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -4.772 1.101 2.678 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -6.349 1.464 1.938 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -5.247 1.368 -0.974 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -6.317 2.685 -0.438 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -4.720 3.060 -1.127 1.00 0.00 H new ATOM 1731 N HIS A 120 -7.055 4.195 1.378 1.00 0.00 N ATOM 1732 CA HIS A 120 -8.456 4.388 1.785 1.00 0.00 C ATOM 1733 C HIS A 120 -9.195 4.394 0.484 1.00 0.00 C ATOM 1734 O HIS A 120 -8.512 4.359 -0.532 1.00 0.00 O ATOM 1735 CB HIS A 120 -8.635 5.739 2.546 1.00 0.00 C ATOM 1736 CG HIS A 120 -10.043 6.048 3.030 1.00 0.00 C ATOM 1737 ND1 HIS A 120 -10.604 5.495 4.160 1.00 0.00 N ATOM 1738 CD2 HIS A 120 -10.987 6.876 2.528 1.00 0.00 C ATOM 1739 CE1 HIS A 120 -11.818 5.968 4.322 1.00 0.00 C ATOM 1740 NE2 HIS A 120 -12.071 6.803 3.355 1.00 0.00 N ATOM 0 H HIS A 120 -6.922 4.265 0.369 1.00 0.00 H new ATOM 0 HA HIS A 120 -8.813 3.619 2.470 1.00 0.00 H new ATOM 0 HB2 HIS A 120 -7.967 5.739 3.408 1.00 0.00 H new ATOM 0 HB3 HIS A 120 -8.311 6.548 1.891 1.00 0.00 H new ATOM 0 HD1 HIS A 120 -10.147 4.822 4.776 1.00 0.00 H new ATOM 0 HD2 HIS A 120 -10.900 7.482 1.638 1.00 0.00 H new ATOM 0 HE1 HIS A 120 -12.494 5.708 5.123 1.00 0.00 H new ATOM 1749 N GLU A 121 -10.486 4.376 0.469 1.00 0.00 N ATOM 1750 CA GLU A 121 -11.197 4.570 -0.765 1.00 0.00 C ATOM 1751 C GLU A 121 -10.953 6.037 -1.133 1.00 0.00 C ATOM 1752 O GLU A 121 -11.693 6.923 -0.702 1.00 0.00 O ATOM 1753 CB GLU A 121 -12.726 4.358 -0.576 1.00 0.00 C ATOM 1754 CG GLU A 121 -13.146 3.225 0.365 1.00 0.00 C ATOM 1755 CD GLU A 121 -12.971 3.593 1.834 1.00 0.00 C ATOM 1756 OE1 GLU A 121 -13.889 4.192 2.422 1.00 0.00 O ATOM 1757 OE2 GLU A 121 -11.897 3.336 2.393 1.00 0.00 O ATOM 0 H GLU A 121 -11.074 4.230 1.289 1.00 0.00 H new ATOM 0 HA GLU A 121 -10.859 3.865 -1.525 1.00 0.00 H new ATOM 0 HB2 GLU A 121 -13.156 5.288 -0.204 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -13.168 4.171 -1.554 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -14.189 2.970 0.179 1.00 0.00 H new ATOM 0 HG3 GLU A 121 -12.556 2.335 0.144 1.00 0.00 H new ATOM 1764 N LYS A 122 -9.853 6.287 -1.833 1.00 0.00 N ATOM 1765 CA LYS A 122 -9.419 7.624 -2.115 1.00 0.00 C ATOM 1766 C LYS A 122 -8.256 7.537 -3.054 1.00 0.00 C ATOM 1767 O LYS A 122 -7.604 6.496 -3.130 1.00 0.00 O ATOM 1768 CB LYS A 122 -8.931 8.298 -0.799 1.00 0.00 C ATOM 1769 CG LYS A 122 -8.493 9.764 -0.930 1.00 0.00 C ATOM 1770 CD LYS A 122 -9.663 10.696 -1.212 1.00 0.00 C ATOM 1771 CE LYS A 122 -10.562 10.841 0.004 1.00 0.00 C ATOM 1772 NZ LYS A 122 -11.742 11.669 -0.275 1.00 0.00 N ATOM 0 H LYS A 122 -9.247 5.561 -2.215 1.00 0.00 H new ATOM 0 HA LYS A 122 -10.236 8.203 -2.545 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -9.733 8.241 -0.063 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -8.095 7.721 -0.404 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -7.997 10.076 -0.011 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -7.761 9.851 -1.733 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -9.287 11.676 -1.507 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -10.243 10.311 -2.051 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -10.883 9.854 0.336 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -9.995 11.284 0.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -12.326 11.741 0.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -11.438 12.620 -0.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -12.299 11.234 -1.038 1.00 0.00 H new ATOM 1786 N ALA A 123 -8.035 8.554 -3.807 1.00 0.00 N ATOM 1787 CA ALA A 123 -6.795 8.674 -4.505 1.00 0.00 C ATOM 1788 C ALA A 123 -5.636 8.868 -3.496 1.00 0.00 C ATOM 1789 O ALA A 123 -5.452 9.943 -2.910 1.00 0.00 O ATOM 1790 CB ALA A 123 -6.846 9.828 -5.479 1.00 0.00 C ATOM 0 H ALA A 123 -8.693 9.318 -3.959 1.00 0.00 H new ATOM 0 HA ALA A 123 -6.620 7.758 -5.069 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -5.893 9.905 -6.002 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -7.644 9.659 -6.202 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -7.038 10.754 -4.937 1.00 0.00 H new ATOM 1796 N ASP A 124 -4.895 7.825 -3.289 1.00 0.00 N ATOM 1797 CA ASP A 124 -3.721 7.837 -2.452 1.00 0.00 C ATOM 1798 C ASP A 124 -2.561 7.776 -3.423 1.00 0.00 C ATOM 1799 O ASP A 124 -1.917 6.742 -3.600 1.00 0.00 O ATOM 1800 CB ASP A 124 -3.730 6.618 -1.463 1.00 0.00 C ATOM 1801 CG ASP A 124 -2.553 6.572 -0.482 1.00 0.00 C ATOM 1802 OD1 ASP A 124 -1.449 6.205 -0.765 1.00 0.00 O ATOM 1803 OD2 ASP A 124 -2.600 6.899 0.692 1.00 0.00 O ATOM 0 H ASP A 124 -5.089 6.914 -3.705 1.00 0.00 H new ATOM 0 HA ASP A 124 -3.663 8.722 -1.818 1.00 0.00 H new ATOM 0 HB2 ASP A 124 -4.659 6.639 -0.893 1.00 0.00 H new ATOM 0 HB3 ASP A 124 -3.734 5.697 -2.045 1.00 0.00 H new ATOM 1808 N ASP A 125 -2.375 8.883 -4.138 1.00 0.00 N ATOM 1809 CA ASP A 125 -1.457 8.926 -5.244 1.00 0.00 C ATOM 1810 C ASP A 125 -0.011 8.801 -4.793 1.00 0.00 C ATOM 1811 O ASP A 125 0.345 9.058 -3.626 1.00 0.00 O ATOM 1812 CB ASP A 125 -1.690 10.155 -6.152 1.00 0.00 C ATOM 1813 CG ASP A 125 -1.056 9.982 -7.533 1.00 0.00 C ATOM 1814 OD1 ASP A 125 0.173 10.232 -7.683 1.00 0.00 O ATOM 1815 OD2 ASP A 125 -1.765 9.554 -8.486 1.00 0.00 O ATOM 0 H ASP A 125 -2.859 9.763 -3.959 1.00 0.00 H new ATOM 0 HA ASP A 125 -1.665 8.050 -5.858 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -2.761 10.324 -6.264 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -1.276 11.042 -5.673 1.00 0.00 H new ATOM 1820 N LEU A 126 0.795 8.460 -5.728 1.00 0.00 N ATOM 1821 CA LEU A 126 2.112 8.037 -5.533 1.00 0.00 C ATOM 1822 C LEU A 126 3.069 9.208 -5.573 1.00 0.00 C ATOM 1823 O LEU A 126 3.674 9.576 -4.563 1.00 0.00 O ATOM 1824 CB LEU A 126 2.478 7.035 -6.658 1.00 0.00 C ATOM 1825 CG LEU A 126 1.446 5.916 -7.044 1.00 0.00 C ATOM 1826 CD1 LEU A 126 0.898 5.169 -5.850 1.00 0.00 C ATOM 1827 CD2 LEU A 126 0.316 6.435 -7.948 1.00 0.00 C ATOM 0 H LEU A 126 0.525 8.473 -6.711 1.00 0.00 H new ATOM 0 HA LEU A 126 2.193 7.564 -4.554 1.00 0.00 H new ATOM 0 HB2 LEU A 126 2.689 7.613 -7.558 1.00 0.00 H new ATOM 0 HB3 LEU A 126 3.407 6.542 -6.371 1.00 0.00 H new ATOM 0 HG LEU A 126 2.018 5.194 -7.626 1.00 0.00 H new ATOM 0 HD11 LEU A 126 0.191 4.411 -6.188 1.00 0.00 H new ATOM 0 HD12 LEU A 126 1.717 4.689 -5.314 1.00 0.00 H new ATOM 0 HD13 LEU A 126 0.390 5.868 -5.185 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -0.367 5.618 -8.182 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -0.228 7.226 -7.432 1.00 0.00 H new ATOM 0 HD23 LEU A 126 0.741 6.829 -8.871 1.00 0.00 H new ATOM 1839 N GLY A 127 3.208 9.763 -6.744 1.00 0.00 N ATOM 1840 CA GLY A 127 4.111 10.850 -6.959 1.00 0.00 C ATOM 1841 C GLY A 127 3.418 12.180 -7.045 1.00 0.00 C ATOM 1842 O GLY A 127 4.066 13.227 -6.938 1.00 0.00 O ATOM 0 H GLY A 127 2.695 9.471 -7.576 1.00 0.00 H new ATOM 0 HA2 GLY A 127 4.838 10.877 -6.147 1.00 0.00 H new ATOM 0 HA3 GLY A 127 4.668 10.676 -7.880 1.00 0.00 H new ATOM 1846 N LYS A 128 2.119 12.168 -7.253 1.00 0.00 N ATOM 1847 CA LYS A 128 1.372 13.408 -7.325 1.00 0.00 C ATOM 1848 C LYS A 128 0.857 13.792 -5.957 1.00 0.00 C ATOM 1849 O LYS A 128 0.789 14.973 -5.636 1.00 0.00 O ATOM 1850 CB LYS A 128 0.205 13.314 -8.314 1.00 0.00 C ATOM 1851 CG LYS A 128 0.607 13.002 -9.747 1.00 0.00 C ATOM 1852 CD LYS A 128 1.472 14.096 -10.343 1.00 0.00 C ATOM 1853 CE LYS A 128 1.869 13.757 -11.763 1.00 0.00 C ATOM 1854 NZ LYS A 128 2.704 14.810 -12.375 1.00 0.00 N ATOM 0 H LYS A 128 1.561 11.323 -7.374 1.00 0.00 H new ATOM 0 HA LYS A 128 2.054 14.178 -7.685 1.00 0.00 H new ATOM 0 HB2 LYS A 128 -0.484 12.543 -7.969 1.00 0.00 H new ATOM 0 HB3 LYS A 128 -0.340 14.258 -8.302 1.00 0.00 H new ATOM 0 HG2 LYS A 128 1.148 12.056 -9.774 1.00 0.00 H new ATOM 0 HG3 LYS A 128 -0.288 12.875 -10.356 1.00 0.00 H new ATOM 0 HD2 LYS A 128 0.930 15.042 -10.329 1.00 0.00 H new ATOM 0 HD3 LYS A 128 2.366 14.231 -9.734 1.00 0.00 H new ATOM 0 HE2 LYS A 128 2.414 12.813 -11.771 1.00 0.00 H new ATOM 0 HE3 LYS A 128 0.972 13.612 -12.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 2.952 14.535 -13.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 2.176 15.706 -12.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 3.573 14.932 -11.817 1.00 0.00 H new ATOM 1868 N GLY A 129 0.566 12.792 -5.142 1.00 0.00 N ATOM 1869 CA GLY A 129 0.004 12.985 -3.809 1.00 0.00 C ATOM 1870 C GLY A 129 -1.266 13.837 -3.782 1.00 0.00 C ATOM 1871 O GLY A 129 -2.380 13.315 -3.873 1.00 0.00 O ATOM 0 H GLY A 129 0.713 11.813 -5.386 1.00 0.00 H new ATOM 0 HA2 GLY A 129 -0.217 12.010 -3.375 1.00 0.00 H new ATOM 0 HA3 GLY A 129 0.756 13.453 -3.174 1.00 0.00 H new ATOM 1875 N GLY A 130 -1.080 15.135 -3.651 1.00 0.00 N ATOM 1876 CA GLY A 130 -2.164 16.079 -3.609 1.00 0.00 C ATOM 1877 C GLY A 130 -1.614 17.486 -3.630 1.00 0.00 C ATOM 1878 O GLY A 130 -1.455 18.088 -4.695 1.00 0.00 O ATOM 0 H GLY A 130 -0.158 15.563 -3.570 1.00 0.00 H new ATOM 0 HA2 GLY A 130 -2.827 15.924 -4.460 1.00 0.00 H new ATOM 0 HA3 GLY A 130 -2.759 15.924 -2.709 1.00 0.00 H new ATOM 1882 N ASN A 131 -1.289 17.987 -2.468 1.00 0.00 N ATOM 1883 CA ASN A 131 -0.679 19.312 -2.314 1.00 0.00 C ATOM 1884 C ASN A 131 0.830 19.097 -2.209 1.00 0.00 C ATOM 1885 O ASN A 131 1.221 17.989 -1.903 1.00 0.00 O ATOM 1886 CB ASN A 131 -1.290 20.017 -1.073 1.00 0.00 C ATOM 1887 CG ASN A 131 -0.602 21.315 -0.669 1.00 0.00 C ATOM 1888 OD1 ASN A 131 -0.896 22.371 -1.197 1.00 0.00 O ATOM 1889 ND2 ASN A 131 0.245 21.247 0.325 1.00 0.00 N ATOM 0 H ASN A 131 -1.435 17.496 -1.586 1.00 0.00 H new ATOM 0 HA ASN A 131 -0.877 19.968 -3.162 1.00 0.00 H new ATOM 0 HB2 ASN A 131 -2.341 20.227 -1.273 1.00 0.00 H new ATOM 0 HB3 ASN A 131 -1.258 19.328 -0.229 1.00 0.00 H new ATOM 0 HD21 ASN A 131 0.682 22.097 0.681 1.00 0.00 H new ATOM 0 HD22 ASN A 131 0.468 20.344 0.744 1.00 0.00 H new ATOM 1896 N GLU A 132 1.657 20.143 -2.420 1.00 0.00 N ATOM 1897 CA GLU A 132 3.146 20.024 -2.548 1.00 0.00 C ATOM 1898 C GLU A 132 3.827 19.004 -1.597 1.00 0.00 C ATOM 1899 O GLU A 132 4.568 18.129 -2.057 1.00 0.00 O ATOM 1900 CB GLU A 132 3.813 21.403 -2.439 1.00 0.00 C ATOM 1901 CG GLU A 132 3.435 22.194 -1.197 1.00 0.00 C ATOM 1902 CD GLU A 132 4.112 23.532 -1.150 1.00 0.00 C ATOM 1903 OE1 GLU A 132 3.632 24.473 -1.807 1.00 0.00 O ATOM 1904 OE2 GLU A 132 5.147 23.665 -0.458 1.00 0.00 O ATOM 0 H GLU A 132 1.321 21.102 -2.508 1.00 0.00 H new ATOM 0 HA GLU A 132 3.301 19.609 -3.544 1.00 0.00 H new ATOM 0 HB2 GLU A 132 4.895 21.271 -2.454 1.00 0.00 H new ATOM 0 HB3 GLU A 132 3.551 21.989 -3.320 1.00 0.00 H new ATOM 0 HG2 GLU A 132 2.354 22.334 -1.173 1.00 0.00 H new ATOM 0 HG3 GLU A 132 3.702 21.622 -0.309 1.00 0.00 H new ATOM 1911 N GLU A 133 3.555 19.085 -0.317 1.00 0.00 N ATOM 1912 CA GLU A 133 4.163 18.169 0.640 1.00 0.00 C ATOM 1913 C GLU A 133 3.587 16.741 0.515 1.00 0.00 C ATOM 1914 O GLU A 133 4.322 15.765 0.591 1.00 0.00 O ATOM 1915 CB GLU A 133 4.031 18.706 2.055 1.00 0.00 C ATOM 1916 CG GLU A 133 2.612 19.000 2.446 1.00 0.00 C ATOM 1917 CD GLU A 133 2.484 19.484 3.842 1.00 0.00 C ATOM 1918 OE1 GLU A 133 2.431 18.658 4.759 1.00 0.00 O ATOM 1919 OE2 GLU A 133 2.411 20.707 4.054 1.00 0.00 O ATOM 0 H GLU A 133 2.920 19.770 0.093 1.00 0.00 H new ATOM 0 HA GLU A 133 5.225 18.099 0.405 1.00 0.00 H new ATOM 0 HB2 GLU A 133 4.450 17.981 2.752 1.00 0.00 H new ATOM 0 HB3 GLU A 133 4.623 19.617 2.148 1.00 0.00 H new ATOM 0 HG2 GLU A 133 2.202 19.749 1.769 1.00 0.00 H new ATOM 0 HG3 GLU A 133 2.013 18.098 2.324 1.00 0.00 H new ATOM 1926 N SER A 134 2.288 16.635 0.265 1.00 0.00 N ATOM 1927 CA SER A 134 1.633 15.346 0.093 1.00 0.00 C ATOM 1928 C SER A 134 2.039 14.737 -1.259 1.00 0.00 C ATOM 1929 O SER A 134 1.940 13.542 -1.474 1.00 0.00 O ATOM 1930 CB SER A 134 0.122 15.530 0.162 1.00 0.00 C ATOM 1931 OG SER A 134 -0.242 16.271 1.319 1.00 0.00 O ATOM 0 H SER A 134 1.662 17.436 0.176 1.00 0.00 H new ATOM 0 HA SER A 134 1.942 14.668 0.889 1.00 0.00 H new ATOM 0 HB2 SER A 134 -0.227 16.047 -0.732 1.00 0.00 H new ATOM 0 HB3 SER A 134 -0.367 14.556 0.179 1.00 0.00 H new ATOM 0 HG SER A 134 -1.216 16.380 1.345 1.00 0.00 H new ATOM 1937 N THR A 135 2.456 15.596 -2.169 1.00 0.00 N ATOM 1938 CA THR A 135 3.006 15.206 -3.444 1.00 0.00 C ATOM 1939 C THR A 135 4.344 14.506 -3.211 1.00 0.00 C ATOM 1940 O THR A 135 4.655 13.477 -3.813 1.00 0.00 O ATOM 1941 CB THR A 135 3.228 16.488 -4.298 1.00 0.00 C ATOM 1942 OG1 THR A 135 1.966 17.127 -4.568 1.00 0.00 O ATOM 1943 CG2 THR A 135 3.937 16.194 -5.598 1.00 0.00 C ATOM 0 H THR A 135 2.419 16.606 -2.035 1.00 0.00 H new ATOM 0 HA THR A 135 2.328 14.529 -3.963 1.00 0.00 H new ATOM 0 HB THR A 135 3.866 17.155 -3.718 1.00 0.00 H new ATOM 0 HG1 THR A 135 1.445 16.574 -5.187 1.00 0.00 H new ATOM 0 HG21 THR A 135 4.069 17.120 -6.158 1.00 0.00 H new ATOM 0 HG22 THR A 135 4.912 15.754 -5.389 1.00 0.00 H new ATOM 0 HG23 THR A 135 3.343 15.495 -6.187 1.00 0.00 H new ATOM 1951 N LYS A 136 5.069 15.049 -2.285 1.00 0.00 N ATOM 1952 CA LYS A 136 6.387 14.598 -1.920 1.00 0.00 C ATOM 1953 C LYS A 136 6.299 13.268 -1.191 1.00 0.00 C ATOM 1954 O LYS A 136 6.969 12.305 -1.555 1.00 0.00 O ATOM 1955 CB LYS A 136 7.043 15.659 -1.022 1.00 0.00 C ATOM 1956 CG LYS A 136 8.426 15.316 -0.488 1.00 0.00 C ATOM 1957 CD LYS A 136 8.865 16.360 0.526 1.00 0.00 C ATOM 1958 CE LYS A 136 10.236 16.059 1.103 1.00 0.00 C ATOM 1959 NZ LYS A 136 10.579 16.991 2.196 1.00 0.00 N ATOM 0 H LYS A 136 4.753 15.850 -1.738 1.00 0.00 H new ATOM 0 HA LYS A 136 6.991 14.456 -2.816 1.00 0.00 H new ATOM 0 HB2 LYS A 136 7.113 16.590 -1.584 1.00 0.00 H new ATOM 0 HB3 LYS A 136 6.384 15.847 -0.174 1.00 0.00 H new ATOM 0 HG2 LYS A 136 8.411 14.330 -0.024 1.00 0.00 H new ATOM 0 HG3 LYS A 136 9.141 15.271 -1.309 1.00 0.00 H new ATOM 0 HD2 LYS A 136 8.880 17.341 0.051 1.00 0.00 H new ATOM 0 HD3 LYS A 136 8.135 16.408 1.334 1.00 0.00 H new ATOM 0 HE2 LYS A 136 10.258 15.035 1.476 1.00 0.00 H new ATOM 0 HE3 LYS A 136 10.987 16.128 0.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 11.522 16.758 2.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 10.581 17.966 1.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 9.876 16.907 2.958 1.00 0.00 H new ATOM 1973 N THR A 137 5.470 13.228 -0.195 1.00 0.00 N ATOM 1974 CA THR A 137 5.332 12.065 0.606 1.00 0.00 C ATOM 1975 C THR A 137 4.562 10.981 -0.112 1.00 0.00 C ATOM 1976 O THR A 137 4.827 9.778 0.079 1.00 0.00 O ATOM 1977 CB THR A 137 4.660 12.417 1.936 1.00 0.00 C ATOM 1978 OG1 THR A 137 3.424 13.093 1.678 1.00 0.00 O ATOM 1979 CG2 THR A 137 5.573 13.313 2.764 1.00 0.00 C ATOM 0 H THR A 137 4.871 14.006 0.081 1.00 0.00 H new ATOM 0 HA THR A 137 6.330 11.675 0.807 1.00 0.00 H new ATOM 0 HB THR A 137 4.467 11.501 2.494 1.00 0.00 H new ATOM 0 HG1 THR A 137 2.991 13.318 2.528 1.00 0.00 H new ATOM 0 HG21 THR A 137 5.085 13.557 3.708 1.00 0.00 H new ATOM 0 HG22 THR A 137 6.510 12.793 2.964 1.00 0.00 H new ATOM 0 HG23 THR A 137 5.778 14.231 2.214 1.00 0.00 H new ATOM 1987 N GLY A 138 3.649 11.392 -0.958 1.00 0.00 N ATOM 1988 CA GLY A 138 2.775 10.486 -1.607 1.00 0.00 C ATOM 1989 C GLY A 138 1.660 10.187 -0.662 1.00 0.00 C ATOM 1990 O GLY A 138 1.843 9.357 0.247 1.00 0.00 O ATOM 0 H GLY A 138 3.502 12.370 -1.207 1.00 0.00 H new ATOM 0 HA2 GLY A 138 2.390 10.919 -2.530 1.00 0.00 H new ATOM 0 HA3 GLY A 138 3.303 9.572 -1.879 1.00 0.00 H new ATOM 1994 N ASN A 139 0.499 10.758 -0.959 1.00 0.00 N ATOM 1995 CA ASN A 139 -0.675 10.885 -0.063 1.00 0.00 C ATOM 1996 C ASN A 139 -0.876 9.721 0.942 1.00 0.00 C ATOM 1997 O ASN A 139 -0.611 8.450 0.659 1.00 0.00 O ATOM 1998 CB ASN A 139 -1.955 11.120 -0.907 1.00 0.00 C ATOM 1999 CG ASN A 139 -3.186 11.495 -0.076 1.00 0.00 C ATOM 2000 OD1 ASN A 139 -3.070 12.096 0.992 1.00 0.00 O ATOM 2001 ND2 ASN A 139 -4.362 11.178 -0.569 1.00 0.00 N ATOM 0 H ASN A 139 0.328 11.171 -1.876 1.00 0.00 H new ATOM 0 HA ASN A 139 -0.470 11.749 0.569 1.00 0.00 H new ATOM 0 HB2 ASN A 139 -1.761 11.913 -1.630 1.00 0.00 H new ATOM 0 HB3 ASN A 139 -2.174 10.216 -1.476 1.00 0.00 H new ATOM 0 HD21 ASN A 139 -5.212 11.430 -0.064 1.00 0.00 H new ATOM 0 HD22 ASN A 139 -4.425 10.680 -1.457 1.00 0.00 H new ATOM 2008 N ALA A 140 -1.263 10.096 2.128 1.00 0.00 N ATOM 2009 CA ALA A 140 -1.476 9.177 3.181 1.00 0.00 C ATOM 2010 C ALA A 140 -2.527 9.670 4.131 1.00 0.00 C ATOM 2011 O ALA A 140 -2.391 10.740 4.726 1.00 0.00 O ATOM 2012 CB ALA A 140 -0.189 8.952 3.930 1.00 0.00 C ATOM 0 H ALA A 140 -1.439 11.068 2.383 1.00 0.00 H new ATOM 0 HA ALA A 140 -1.820 8.239 2.745 1.00 0.00 H new ATOM 0 HB1 ALA A 140 -0.359 8.243 4.740 1.00 0.00 H new ATOM 0 HB2 ALA A 140 0.563 8.552 3.250 1.00 0.00 H new ATOM 0 HB3 ALA A 140 0.162 9.898 4.343 1.00 0.00 H new ATOM 2018 N GLY A 141 -3.559 8.909 4.261 1.00 0.00 N ATOM 2019 CA GLY A 141 -4.521 9.143 5.275 1.00 0.00 C ATOM 2020 C GLY A 141 -4.191 8.199 6.384 1.00 0.00 C ATOM 2021 O GLY A 141 -4.683 7.065 6.399 1.00 0.00 O ATOM 0 H GLY A 141 -3.757 8.106 3.664 1.00 0.00 H new ATOM 0 HA2 GLY A 141 -4.482 10.177 5.618 1.00 0.00 H new ATOM 0 HA3 GLY A 141 -5.530 8.969 4.902 1.00 0.00 H new ATOM 2025 N SER A 142 -3.341 8.659 7.275 1.00 0.00 N ATOM 2026 CA SER A 142 -2.710 7.900 8.357 1.00 0.00 C ATOM 2027 C SER A 142 -3.658 6.950 9.095 1.00 0.00 C ATOM 2028 O SER A 142 -3.269 5.867 9.520 1.00 0.00 O ATOM 2029 CB SER A 142 -2.137 8.912 9.342 1.00 0.00 C ATOM 2030 OG SER A 142 -1.417 9.933 8.650 1.00 0.00 O ATOM 0 H SER A 142 -3.046 9.636 7.272 1.00 0.00 H new ATOM 0 HA SER A 142 -1.945 7.262 7.915 1.00 0.00 H new ATOM 0 HB2 SER A 142 -2.943 9.358 9.924 1.00 0.00 H new ATOM 0 HB3 SER A 142 -1.476 8.408 10.047 1.00 0.00 H new ATOM 0 HG SER A 142 -1.057 10.575 9.297 1.00 0.00 H new ATOM 2036 N ARG A 143 -4.871 7.347 9.245 1.00 0.00 N ATOM 2037 CA ARG A 143 -5.789 6.543 9.959 1.00 0.00 C ATOM 2038 C ARG A 143 -7.014 6.260 9.135 1.00 0.00 C ATOM 2039 O ARG A 143 -7.953 5.647 9.634 1.00 0.00 O ATOM 2040 CB ARG A 143 -6.163 7.234 11.268 1.00 0.00 C ATOM 2041 CG ARG A 143 -6.867 8.568 11.084 1.00 0.00 C ATOM 2042 CD ARG A 143 -7.057 9.261 12.406 1.00 0.00 C ATOM 2043 NE ARG A 143 -7.782 10.523 12.276 1.00 0.00 N ATOM 2044 CZ ARG A 143 -7.493 11.639 12.962 1.00 0.00 C ATOM 2045 NH1 ARG A 143 -6.411 11.690 13.735 1.00 0.00 N ATOM 2046 NH2 ARG A 143 -8.272 12.706 12.862 1.00 0.00 N ATOM 0 H ARG A 143 -5.248 8.223 8.883 1.00 0.00 H new ATOM 0 HA ARG A 143 -5.317 5.586 10.184 1.00 0.00 H new ATOM 0 HB2 ARG A 143 -6.808 6.571 11.845 1.00 0.00 H new ATOM 0 HB3 ARG A 143 -5.258 7.390 11.856 1.00 0.00 H new ATOM 0 HG2 ARG A 143 -6.284 9.203 10.417 1.00 0.00 H new ATOM 0 HG3 ARG A 143 -7.835 8.410 10.609 1.00 0.00 H new ATOM 0 HD2 ARG A 143 -7.600 8.602 13.084 1.00 0.00 H new ATOM 0 HD3 ARG A 143 -6.083 9.450 12.857 1.00 0.00 H new ATOM 0 HE ARG A 143 -8.561 10.558 11.619 1.00 0.00 H new ATOM 0 HH11 ARG A 143 -5.797 10.878 13.808 1.00 0.00 H new ATOM 0 HH12 ARG A 143 -6.195 12.541 14.255 1.00 0.00 H new ATOM 0 HH21 ARG A 143 -9.096 12.681 12.261 1.00 0.00 H new ATOM 0 HH22 ARG A 143 -8.048 13.552 13.386 1.00 0.00 H new ATOM 2060 N LEU A 144 -7.034 6.670 7.911 1.00 0.00 N ATOM 2061 CA LEU A 144 -8.234 6.507 7.111 1.00 0.00 C ATOM 2062 C LEU A 144 -8.477 5.052 6.777 1.00 0.00 C ATOM 2063 O LEU A 144 -9.611 4.634 6.566 1.00 0.00 O ATOM 2064 CB LEU A 144 -8.242 7.416 5.867 1.00 0.00 C ATOM 2065 CG LEU A 144 -8.663 8.899 6.077 1.00 0.00 C ATOM 2066 CD1 LEU A 144 -10.100 8.995 6.572 1.00 0.00 C ATOM 2067 CD2 LEU A 144 -7.726 9.635 7.027 1.00 0.00 C ATOM 0 H LEU A 144 -6.251 7.117 7.434 1.00 0.00 H new ATOM 0 HA LEU A 144 -9.076 6.838 7.719 1.00 0.00 H new ATOM 0 HB2 LEU A 144 -7.242 7.406 5.434 1.00 0.00 H new ATOM 0 HB3 LEU A 144 -8.913 6.975 5.130 1.00 0.00 H new ATOM 0 HG LEU A 144 -8.594 9.386 5.104 1.00 0.00 H new ATOM 0 HD11 LEU A 144 -10.368 10.042 6.710 1.00 0.00 H new ATOM 0 HD12 LEU A 144 -10.768 8.543 5.839 1.00 0.00 H new ATOM 0 HD13 LEU A 144 -10.194 8.468 7.522 1.00 0.00 H new ATOM 0 HD21 LEU A 144 -8.061 10.666 7.142 1.00 0.00 H new ATOM 0 HD22 LEU A 144 -7.732 9.141 7.999 1.00 0.00 H new ATOM 0 HD23 LEU A 144 -6.715 9.625 6.621 1.00 0.00 H new ATOM 2079 N ALA A 145 -7.418 4.305 6.730 1.00 0.00 N ATOM 2080 CA ALA A 145 -7.434 2.889 6.527 1.00 0.00 C ATOM 2081 C ALA A 145 -6.046 2.432 6.745 1.00 0.00 C ATOM 2082 O ALA A 145 -5.195 2.593 5.877 1.00 0.00 O ATOM 2083 CB ALA A 145 -7.933 2.496 5.150 1.00 0.00 C ATOM 0 H ALA A 145 -6.476 4.682 6.837 1.00 0.00 H new ATOM 0 HA ALA A 145 -8.130 2.417 7.220 1.00 0.00 H new ATOM 0 HB1 ALA A 145 -7.922 1.410 5.055 1.00 0.00 H new ATOM 0 HB2 ALA A 145 -8.951 2.862 5.014 1.00 0.00 H new ATOM 0 HB3 ALA A 145 -7.285 2.933 4.390 1.00 0.00 H new ATOM 2089 N CYS A 146 -5.781 1.970 7.916 1.00 0.00 N ATOM 2090 CA CYS A 146 -4.467 1.574 8.247 1.00 0.00 C ATOM 2091 C CYS A 146 -4.499 0.329 9.076 1.00 0.00 C ATOM 2092 O CYS A 146 -5.477 0.070 9.799 1.00 0.00 O ATOM 2093 CB CYS A 146 -3.742 2.702 8.969 1.00 0.00 C ATOM 2094 SG CYS A 146 -2.052 2.289 9.484 1.00 0.00 S ATOM 0 H CYS A 146 -6.466 1.858 8.663 1.00 0.00 H new ATOM 0 HA CYS A 146 -3.918 1.356 7.331 1.00 0.00 H new ATOM 0 HB2 CYS A 146 -3.708 3.574 8.316 1.00 0.00 H new ATOM 0 HB3 CYS A 146 -4.319 2.985 9.849 1.00 0.00 H new ATOM 2099 N GLY A 147 -3.491 -0.462 8.901 1.00 0.00 N ATOM 2100 CA GLY A 147 -3.331 -1.670 9.597 1.00 0.00 C ATOM 2101 C GLY A 147 -1.982 -2.230 9.297 1.00 0.00 C ATOM 2102 O GLY A 147 -1.346 -1.796 8.334 1.00 0.00 O ATOM 0 H GLY A 147 -2.737 -0.266 8.243 1.00 0.00 H new ATOM 0 HA2 GLY A 147 -3.439 -1.504 10.669 1.00 0.00 H new ATOM 0 HA3 GLY A 147 -4.106 -2.378 9.304 1.00 0.00 H new ATOM 2106 N VAL A 148 -1.530 -3.136 10.105 1.00 0.00 N ATOM 2107 CA VAL A 148 -0.290 -3.828 9.878 1.00 0.00 C ATOM 2108 C VAL A 148 -0.391 -4.759 8.669 1.00 0.00 C ATOM 2109 O VAL A 148 -1.269 -5.643 8.591 1.00 0.00 O ATOM 2110 CB VAL A 148 0.138 -4.608 11.157 1.00 0.00 C ATOM 2111 CG1 VAL A 148 1.177 -5.681 10.854 1.00 0.00 C ATOM 2112 CG2 VAL A 148 0.706 -3.632 12.171 1.00 0.00 C ATOM 0 H VAL A 148 -2.015 -3.424 10.955 1.00 0.00 H new ATOM 0 HA VAL A 148 0.479 -3.088 9.656 1.00 0.00 H new ATOM 0 HB VAL A 148 -0.746 -5.106 11.555 1.00 0.00 H new ATOM 0 HG11 VAL A 148 1.445 -6.198 11.775 1.00 0.00 H new ATOM 0 HG12 VAL A 148 0.764 -6.397 10.143 1.00 0.00 H new ATOM 0 HG13 VAL A 148 2.066 -5.217 10.427 1.00 0.00 H new ATOM 0 HG21 VAL A 148 1.007 -4.173 13.068 1.00 0.00 H new ATOM 0 HG22 VAL A 148 1.572 -3.127 11.744 1.00 0.00 H new ATOM 0 HG23 VAL A 148 -0.053 -2.894 12.430 1.00 0.00 H new ATOM 2122 N ILE A 149 0.487 -4.529 7.738 1.00 0.00 N ATOM 2123 CA ILE A 149 0.595 -5.310 6.546 1.00 0.00 C ATOM 2124 C ILE A 149 1.873 -6.046 6.616 1.00 0.00 C ATOM 2125 O ILE A 149 2.842 -5.594 7.280 1.00 0.00 O ATOM 2126 CB ILE A 149 0.542 -4.497 5.225 1.00 0.00 C ATOM 2127 CG1 ILE A 149 1.700 -3.490 5.145 1.00 0.00 C ATOM 2128 CG2 ILE A 149 -0.794 -3.815 5.091 1.00 0.00 C ATOM 2129 CD1 ILE A 149 1.725 -2.632 3.913 1.00 0.00 C ATOM 0 H ILE A 149 1.167 -3.770 7.791 1.00 0.00 H new ATOM 0 HA ILE A 149 -0.274 -5.967 6.511 1.00 0.00 H new ATOM 0 HB ILE A 149 0.659 -5.186 4.388 1.00 0.00 H new ATOM 0 HG12 ILE A 149 1.654 -2.840 6.019 1.00 0.00 H new ATOM 0 HG13 ILE A 149 2.640 -4.038 5.204 1.00 0.00 H new ATOM 0 HG21 ILE A 149 -0.821 -3.247 4.161 1.00 0.00 H new ATOM 0 HG22 ILE A 149 -1.586 -4.564 5.082 1.00 0.00 H new ATOM 0 HG23 ILE A 149 -0.944 -3.139 5.933 1.00 0.00 H new ATOM 0 HD11 ILE A 149 2.580 -1.958 3.956 1.00 0.00 H new ATOM 0 HD12 ILE A 149 1.807 -3.266 3.030 1.00 0.00 H new ATOM 0 HD13 ILE A 149 0.806 -2.049 3.857 1.00 0.00 H new ATOM 2141 N GLY A 150 1.886 -7.197 6.092 1.00 0.00 N ATOM 2142 CA GLY A 150 3.061 -7.891 6.121 1.00 0.00 C ATOM 2143 C GLY A 150 2.922 -9.189 5.533 1.00 0.00 C ATOM 2144 O GLY A 150 1.824 -9.734 5.465 1.00 0.00 O ATOM 0 H GLY A 150 1.096 -7.662 5.645 1.00 0.00 H new ATOM 0 HA2 GLY A 150 3.829 -7.330 5.588 1.00 0.00 H new ATOM 0 HA3 GLY A 150 3.399 -7.993 7.152 1.00 0.00 H new ATOM 2148 N ILE A 151 4.021 -9.702 5.081 1.00 0.00 N ATOM 2149 CA ILE A 151 4.127 -11.057 4.636 1.00 0.00 C ATOM 2150 C ILE A 151 3.855 -12.025 5.799 1.00 0.00 C ATOM 2151 O ILE A 151 4.647 -12.124 6.733 1.00 0.00 O ATOM 2152 CB ILE A 151 5.519 -11.338 3.999 1.00 0.00 C ATOM 2153 CG1 ILE A 151 6.666 -10.913 4.946 1.00 0.00 C ATOM 2154 CG2 ILE A 151 5.618 -10.628 2.654 1.00 0.00 C ATOM 2155 CD1 ILE A 151 8.050 -11.255 4.458 1.00 0.00 C ATOM 0 H ILE A 151 4.893 -9.178 5.009 1.00 0.00 H new ATOM 0 HA ILE A 151 3.374 -11.218 3.865 1.00 0.00 H new ATOM 0 HB ILE A 151 5.621 -12.411 3.837 1.00 0.00 H new ATOM 0 HG12 ILE A 151 6.608 -9.836 5.103 1.00 0.00 H new ATOM 0 HG13 ILE A 151 6.511 -11.386 5.916 1.00 0.00 H new ATOM 0 HG21 ILE A 151 6.593 -10.826 2.209 1.00 0.00 H new ATOM 0 HG22 ILE A 151 4.835 -10.995 1.990 1.00 0.00 H new ATOM 0 HG23 ILE A 151 5.496 -9.555 2.799 1.00 0.00 H new ATOM 0 HD11 ILE A 151 8.787 -10.918 5.188 1.00 0.00 H new ATOM 0 HD12 ILE A 151 8.134 -12.334 4.329 1.00 0.00 H new ATOM 0 HD13 ILE A 151 8.232 -10.760 3.504 1.00 0.00 H new ATOM 2167 N ALA A 152 2.702 -12.645 5.801 1.00 0.00 N ATOM 2168 CA ALA A 152 2.386 -13.605 6.822 1.00 0.00 C ATOM 2169 C ALA A 152 2.460 -15.009 6.274 1.00 0.00 C ATOM 2170 O ALA A 152 1.685 -15.391 5.383 1.00 0.00 O ATOM 2171 CB ALA A 152 1.025 -13.338 7.407 1.00 0.00 C ATOM 0 H ALA A 152 1.969 -12.501 5.107 1.00 0.00 H new ATOM 0 HA ALA A 152 3.124 -13.506 7.618 1.00 0.00 H new ATOM 0 HB1 ALA A 152 0.809 -14.078 8.178 1.00 0.00 H new ATOM 0 HB2 ALA A 152 1.007 -12.341 7.846 1.00 0.00 H new ATOM 0 HB3 ALA A 152 0.272 -13.402 6.621 1.00 0.00 H new ATOM 2177 N GLN A 153 3.401 -15.757 6.773 1.00 0.00 N ATOM 2178 CA GLN A 153 3.588 -17.121 6.391 1.00 0.00 C ATOM 2179 C GLN A 153 4.191 -17.858 7.566 1.00 0.00 C ATOM 2180 O GLN A 153 3.439 -18.531 8.309 1.00 0.00 O ATOM 2181 CB GLN A 153 4.482 -17.211 5.148 1.00 0.00 C ATOM 2182 CG GLN A 153 4.737 -18.625 4.647 1.00 0.00 C ATOM 2183 CD GLN A 153 5.579 -18.640 3.389 1.00 0.00 C ATOM 2184 OE1 GLN A 153 5.510 -17.724 2.566 1.00 0.00 O ATOM 2185 NE2 GLN A 153 6.409 -19.637 3.246 1.00 0.00 N ATOM 2186 OXT GLN A 153 5.395 -17.707 7.813 1.00 0.00 O ATOM 0 H GLN A 153 4.070 -15.428 7.469 1.00 0.00 H new ATOM 0 HA GLN A 153 2.634 -17.579 6.129 1.00 0.00 H new ATOM 0 HB2 GLN A 153 4.024 -16.633 4.345 1.00 0.00 H new ATOM 0 HB3 GLN A 153 5.440 -16.742 5.372 1.00 0.00 H new ATOM 0 HG2 GLN A 153 5.239 -19.200 5.425 1.00 0.00 H new ATOM 0 HG3 GLN A 153 3.784 -19.117 4.451 1.00 0.00 H new ATOM 0 HE21 GLN A 153 6.441 -20.379 3.946 1.00 0.00 H new ATOM 0 HE22 GLN A 153 7.026 -19.675 2.435 1.00 0.00 H new TER 2195 GLN A 153 HETATM 2196 CU CU A 201 -0.998 6.570 0.717 1.00 0.00 CU