USER MOD reduce.3.24.130724 H: found=0, std=0, add=918, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 911 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 55 GLN : amide:sc= 1.12 K(o=1.1,f=-0.086) USER MOD Set 1.2: A 81 MET CE :methyl -177:sc= -0.0202 (180deg=-0.034) USER MOD Single : A 1 GLY N :NH3+ -113:sc= 0.168 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= -1.19 K(o=-1.2,f=-0.47) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -0.0497 X(o=-0.05,f=-0.27) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 94:sc= 1.27 USER MOD Single : A 34 HIS : no HE2:sc= 0.45 K(o=0.45,f=-3!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -0.1 X(o=-0.1,f=-0.18) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.0414 USER MOD Single : A 40 CYS SG : rot 32:sc= 0.295 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= 1.13 K(o=1.1,f=0) USER MOD Single : A 57 TYR OH : rot -62:sc= 0.336 USER MOD Single : A 61 LYS NZ :NH3+ -169:sc= 0.897 (180deg=0.41) USER MOD Single : A 63 SER OG : rot 170:sc= -0.402 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 25:sc= 0.322 USER MOD Single : A 69 ASN : amide:sc= -0.0582 X(o=-0.058,f=-0.5) USER MOD Single : A 70 HIS : no HD1:sc= -0.138 X(o=-0.14,f=0) USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 73 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0225) USER MOD Single : A 85 GLN : amide:sc= -0.112 X(o=-0.11,f=-0.45) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 120:sc= 1.25 USER MOD Single : A 92 THR OG1 : rot 133:sc= 0.00995 USER MOD Single : A 99 HIS : no HD1:sc= -0.255 K(o=-0.26,f=-2.3) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.450 -23.434 2.382 1.00 0.00 N ATOM 2 CA GLY A 1 1.240 -22.674 1.400 1.00 0.00 C ATOM 3 C GLY A 1 0.847 -21.205 1.458 1.00 0.00 C ATOM 4 O GLY A 1 -0.213 -20.881 1.998 1.00 0.00 O ATOM 0 H1 GLY A 1 1.077 -23.790 3.131 1.00 0.00 H new ATOM 0 H2 GLY A 1 -0.273 -22.814 2.801 1.00 0.00 H new ATOM 0 H3 GLY A 1 -0.014 -24.236 1.909 1.00 0.00 H new ATOM 0 HA2 GLY A 1 2.304 -22.785 1.609 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.070 -23.067 0.398 1.00 0.00 H new ATOM 8 N HIS A 2 1.672 -20.321 0.889 1.00 0.00 N ATOM 9 CA HIS A 2 1.650 -18.862 1.040 1.00 0.00 C ATOM 10 C HIS A 2 2.038 -18.452 2.480 1.00 0.00 C ATOM 11 O HIS A 2 2.083 -19.277 3.401 1.00 0.00 O ATOM 12 CB HIS A 2 0.286 -18.272 0.602 1.00 0.00 C ATOM 13 CG HIS A 2 -0.084 -18.483 -0.843 1.00 0.00 C ATOM 14 ND1 HIS A 2 -0.385 -19.661 -1.499 1.00 0.00 N ATOM 15 CD2 HIS A 2 -0.242 -17.472 -1.740 1.00 0.00 C ATOM 16 CE1 HIS A 2 -0.683 -19.355 -2.773 1.00 0.00 C ATOM 17 NE2 HIS A 2 -0.566 -18.033 -2.973 1.00 0.00 N ATOM 0 H HIS A 2 2.423 -20.625 0.269 1.00 0.00 H new ATOM 0 HA HIS A 2 2.400 -18.436 0.374 1.00 0.00 H new ATOM 0 HB2 HIS A 2 -0.495 -18.708 1.225 1.00 0.00 H new ATOM 0 HB3 HIS A 2 0.293 -17.201 0.803 1.00 0.00 H new ATOM 0 HD2 HIS A 2 -0.135 -16.418 -1.532 1.00 0.00 H new ATOM 0 HE1 HIS A 2 -0.975 -20.070 -3.528 1.00 0.00 H new ATOM 0 HE2 HIS A 2 -0.690 -17.536 -3.855 1.00 0.00 H new ATOM 25 N VAL A 3 2.327 -17.167 2.674 1.00 0.00 N ATOM 26 CA VAL A 3 2.579 -16.498 3.955 1.00 0.00 C ATOM 27 C VAL A 3 1.339 -15.682 4.271 1.00 0.00 C ATOM 28 O VAL A 3 0.762 -15.102 3.361 1.00 0.00 O ATOM 29 CB VAL A 3 3.788 -15.559 3.799 1.00 0.00 C ATOM 30 CG1 VAL A 3 4.006 -14.562 4.943 1.00 0.00 C ATOM 31 CG2 VAL A 3 5.075 -16.359 3.589 1.00 0.00 C ATOM 0 H VAL A 3 2.397 -16.519 1.889 1.00 0.00 H new ATOM 0 HA VAL A 3 2.789 -17.215 4.749 1.00 0.00 H new ATOM 0 HB VAL A 3 3.543 -14.962 2.921 1.00 0.00 H new ATOM 0 HG11 VAL A 3 4.883 -13.951 4.731 1.00 0.00 H new ATOM 0 HG12 VAL A 3 3.130 -13.920 5.038 1.00 0.00 H new ATOM 0 HG13 VAL A 3 4.160 -15.106 5.875 1.00 0.00 H new ATOM 0 HG21 VAL A 3 5.916 -15.674 3.481 1.00 0.00 H new ATOM 0 HG22 VAL A 3 5.244 -17.009 4.448 1.00 0.00 H new ATOM 0 HG23 VAL A 3 4.983 -16.965 2.688 1.00 0.00 H new ATOM 41 N GLN A 4 0.952 -15.591 5.535 1.00 0.00 N ATOM 42 CA GLN A 4 -0.094 -14.690 5.998 1.00 0.00 C ATOM 43 C GLN A 4 0.527 -13.350 6.322 1.00 0.00 C ATOM 44 O GLN A 4 1.611 -13.321 6.902 1.00 0.00 O ATOM 45 CB GLN A 4 -0.781 -15.250 7.251 1.00 0.00 C ATOM 46 CG GLN A 4 -2.295 -15.186 7.078 1.00 0.00 C ATOM 47 CD GLN A 4 -3.011 -15.808 8.265 1.00 0.00 C ATOM 48 OE1 GLN A 4 -3.294 -17.008 8.262 1.00 0.00 O ATOM 49 NE2 GLN A 4 -3.343 -15.021 9.276 1.00 0.00 N ATOM 0 H GLN A 4 1.363 -16.151 6.281 1.00 0.00 H new ATOM 0 HA GLN A 4 -0.844 -14.583 5.214 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -0.468 -16.280 7.420 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -0.481 -14.678 8.129 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -2.607 -14.148 6.965 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -2.581 -15.706 6.164 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -3.097 -14.031 9.254 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -3.845 -15.404 10.077 1.00 0.00 H new ATOM 58 N LEU A 5 -0.194 -12.268 6.038 1.00 0.00 N ATOM 59 CA LEU A 5 0.138 -10.938 6.513 1.00 0.00 C ATOM 60 C LEU A 5 -1.145 -10.251 6.956 1.00 0.00 C ATOM 61 O LEU A 5 -2.174 -10.396 6.292 1.00 0.00 O ATOM 62 CB LEU A 5 0.836 -10.117 5.414 1.00 0.00 C ATOM 63 CG LEU A 5 2.220 -10.642 4.981 1.00 0.00 C ATOM 64 CD1 LEU A 5 2.720 -9.783 3.818 1.00 0.00 C ATOM 65 CD2 LEU A 5 3.271 -10.581 6.093 1.00 0.00 C ATOM 0 H LEU A 5 -1.036 -12.297 5.463 1.00 0.00 H new ATOM 0 HA LEU A 5 0.830 -11.014 7.352 1.00 0.00 H new ATOM 0 HB2 LEU A 5 0.187 -10.086 4.539 1.00 0.00 H new ATOM 0 HB3 LEU A 5 0.948 -9.091 5.765 1.00 0.00 H new ATOM 0 HG LEU A 5 2.091 -11.689 4.707 1.00 0.00 H new ATOM 0 HD11 LEU A 5 3.699 -10.139 3.497 1.00 0.00 H new ATOM 0 HD12 LEU A 5 2.018 -9.852 2.987 1.00 0.00 H new ATOM 0 HD13 LEU A 5 2.799 -8.745 4.140 1.00 0.00 H new ATOM 0 HD21 LEU A 5 4.220 -10.966 5.719 1.00 0.00 H new ATOM 0 HD22 LEU A 5 3.400 -9.548 6.415 1.00 0.00 H new ATOM 0 HD23 LEU A 5 2.942 -11.186 6.938 1.00 0.00 H new ATOM 77 N SER A 6 -1.086 -9.470 8.033 1.00 0.00 N ATOM 78 CA SER A 6 -2.232 -8.747 8.554 1.00 0.00 C ATOM 79 C SER A 6 -1.888 -7.272 8.701 1.00 0.00 C ATOM 80 O SER A 6 -0.720 -6.919 8.883 1.00 0.00 O ATOM 81 CB SER A 6 -2.683 -9.382 9.870 1.00 0.00 C ATOM 82 OG SER A 6 -2.587 -10.797 9.830 1.00 0.00 O ATOM 0 H SER A 6 -0.231 -9.324 8.570 1.00 0.00 H new ATOM 0 HA SER A 6 -3.069 -8.812 7.859 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.072 -8.999 10.687 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.713 -9.093 10.079 1.00 0.00 H new ATOM 0 HG SER A 6 -2.881 -11.169 10.687 1.00 0.00 H new ATOM 88 N LEU A 7 -2.884 -6.392 8.603 1.00 0.00 N ATOM 89 CA LEU A 7 -2.679 -4.950 8.524 1.00 0.00 C ATOM 90 C LEU A 7 -3.778 -4.222 9.287 1.00 0.00 C ATOM 91 O LEU A 7 -4.923 -4.673 9.232 1.00 0.00 O ATOM 92 CB LEU A 7 -2.701 -4.477 7.058 1.00 0.00 C ATOM 93 CG LEU A 7 -1.549 -5.021 6.198 1.00 0.00 C ATOM 94 CD1 LEU A 7 -1.772 -4.621 4.739 1.00 0.00 C ATOM 95 CD2 LEU A 7 -0.184 -4.503 6.664 1.00 0.00 C ATOM 0 H LEU A 7 -3.866 -6.666 8.576 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.707 -4.724 8.964 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -3.647 -4.775 6.607 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -2.669 -3.388 7.040 1.00 0.00 H new ATOM 0 HG LEU A 7 -1.544 -6.106 6.301 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -0.956 -5.006 4.127 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -2.716 -5.037 4.388 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -1.803 -3.534 4.660 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.598 -4.914 6.026 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.167 -3.415 6.602 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -0.011 -4.811 7.695 1.00 0.00 H new ATOM 107 N PRO A 8 -3.472 -3.089 9.934 1.00 0.00 N ATOM 108 CA PRO A 8 -4.461 -2.189 10.489 1.00 0.00 C ATOM 109 C PRO A 8 -5.201 -1.519 9.325 1.00 0.00 C ATOM 110 O PRO A 8 -4.563 -1.017 8.398 1.00 0.00 O ATOM 111 CB PRO A 8 -3.627 -1.223 11.340 1.00 0.00 C ATOM 112 CG PRO A 8 -2.297 -1.106 10.615 1.00 0.00 C ATOM 113 CD PRO A 8 -2.139 -2.528 10.096 1.00 0.00 C ATOM 0 HA PRO A 8 -5.235 -2.652 11.100 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -4.115 -0.252 11.428 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -3.492 -1.605 12.352 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -2.327 -0.372 9.810 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -1.485 -0.815 11.282 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -1.604 -2.532 9.146 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -1.554 -3.127 10.794 1.00 0.00 H new ATOM 121 N VAL A 9 -6.534 -1.541 9.333 1.00 0.00 N ATOM 122 CA VAL A 9 -7.347 -0.758 8.414 1.00 0.00 C ATOM 123 C VAL A 9 -7.458 0.627 9.030 1.00 0.00 C ATOM 124 O VAL A 9 -8.084 0.798 10.081 1.00 0.00 O ATOM 125 CB VAL A 9 -8.729 -1.373 8.133 1.00 0.00 C ATOM 126 CG1 VAL A 9 -9.392 -0.653 6.949 1.00 0.00 C ATOM 127 CG2 VAL A 9 -8.617 -2.863 7.786 1.00 0.00 C ATOM 0 H VAL A 9 -7.079 -2.107 9.983 1.00 0.00 H new ATOM 0 HA VAL A 9 -6.873 -0.728 7.433 1.00 0.00 H new ATOM 0 HB VAL A 9 -9.328 -1.259 9.037 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -10.370 -1.094 6.756 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -9.511 0.404 7.187 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -8.766 -0.757 6.063 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -9.611 -3.267 7.593 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -7.997 -2.984 6.898 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -8.163 -3.398 8.620 1.00 0.00 H new ATOM 137 N LEU A 10 -6.786 1.579 8.397 1.00 0.00 N ATOM 138 CA LEU A 10 -6.795 2.988 8.740 1.00 0.00 C ATOM 139 C LEU A 10 -7.872 3.665 7.886 1.00 0.00 C ATOM 140 O LEU A 10 -8.424 3.058 6.962 1.00 0.00 O ATOM 141 CB LEU A 10 -5.388 3.564 8.469 1.00 0.00 C ATOM 142 CG LEU A 10 -4.255 2.899 9.290 1.00 0.00 C ATOM 143 CD1 LEU A 10 -2.865 3.152 8.698 1.00 0.00 C ATOM 144 CD2 LEU A 10 -4.264 3.403 10.734 1.00 0.00 C ATOM 0 H LEU A 10 -6.193 1.376 7.593 1.00 0.00 H new ATOM 0 HA LEU A 10 -7.027 3.158 9.791 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -5.163 3.456 7.408 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -5.398 4.632 8.686 1.00 0.00 H new ATOM 0 HG LEU A 10 -4.452 1.827 9.258 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.112 2.662 9.315 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -2.822 2.750 7.686 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.671 4.224 8.671 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.460 2.923 11.292 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.117 4.483 10.743 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -5.221 3.163 11.197 1.00 0.00 H new ATOM 156 N GLN A 11 -8.165 4.933 8.157 1.00 0.00 N ATOM 157 CA GLN A 11 -8.933 5.805 7.280 1.00 0.00 C ATOM 158 C GLN A 11 -7.967 6.642 6.464 1.00 0.00 C ATOM 159 O GLN A 11 -6.968 7.125 6.991 1.00 0.00 O ATOM 160 CB GLN A 11 -9.824 6.730 8.121 1.00 0.00 C ATOM 161 CG GLN A 11 -10.994 6.004 8.763 1.00 0.00 C ATOM 162 CD GLN A 11 -12.340 6.543 8.321 1.00 0.00 C ATOM 163 OE1 GLN A 11 -12.563 7.734 8.104 1.00 0.00 O ATOM 164 NE2 GLN A 11 -13.246 5.626 8.105 1.00 0.00 N ATOM 0 H GLN A 11 -7.866 5.393 9.017 1.00 0.00 H new ATOM 0 HA GLN A 11 -9.562 5.207 6.621 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -9.221 7.196 8.900 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -10.204 7.533 7.489 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -10.935 4.944 8.518 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -10.914 6.085 9.847 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -13.035 4.646 8.293 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -14.164 5.890 7.748 1.00 0.00 H new ATOM 173 N VAL A 12 -8.314 6.960 5.215 1.00 0.00 N ATOM 174 CA VAL A 12 -7.535 7.896 4.401 1.00 0.00 C ATOM 175 C VAL A 12 -7.385 9.248 5.132 1.00 0.00 C ATOM 176 O VAL A 12 -6.414 9.973 4.925 1.00 0.00 O ATOM 177 CB VAL A 12 -8.187 8.008 3.005 1.00 0.00 C ATOM 178 CG1 VAL A 12 -9.611 8.580 3.012 1.00 0.00 C ATOM 179 CG2 VAL A 12 -7.339 8.832 2.033 1.00 0.00 C ATOM 0 H VAL A 12 -9.135 6.580 4.743 1.00 0.00 H new ATOM 0 HA VAL A 12 -6.519 7.530 4.252 1.00 0.00 H new ATOM 0 HB VAL A 12 -8.246 6.973 2.668 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -9.991 8.623 1.991 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -10.257 7.940 3.613 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -9.598 9.584 3.437 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -7.839 8.882 1.066 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -7.210 9.840 2.427 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -6.363 8.362 1.913 1.00 0.00 H new ATOM 189 N ARG A 13 -8.332 9.577 6.019 1.00 0.00 N ATOM 190 CA ARG A 13 -8.424 10.837 6.746 1.00 0.00 C ATOM 191 C ARG A 13 -7.433 10.925 7.901 1.00 0.00 C ATOM 192 O ARG A 13 -7.196 12.023 8.405 1.00 0.00 O ATOM 193 CB ARG A 13 -9.853 11.000 7.293 1.00 0.00 C ATOM 194 CG ARG A 13 -10.889 10.892 6.168 1.00 0.00 C ATOM 195 CD ARG A 13 -12.293 11.252 6.638 1.00 0.00 C ATOM 196 NE ARG A 13 -13.236 11.013 5.542 1.00 0.00 N ATOM 197 CZ ARG A 13 -14.565 11.027 5.600 1.00 0.00 C ATOM 198 NH1 ARG A 13 -15.194 11.340 6.727 1.00 0.00 N ATOM 199 NH2 ARG A 13 -15.267 10.705 4.523 1.00 0.00 N ATOM 0 H ARG A 13 -9.089 8.936 6.257 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.178 11.636 6.046 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -10.047 10.236 8.045 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -9.948 11.966 7.788 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -10.602 11.551 5.349 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -10.890 9.876 5.774 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -12.565 10.653 7.507 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -12.331 12.297 6.947 1.00 0.00 H new ATOM 0 HE ARG A 13 -12.826 10.813 4.630 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -14.658 11.574 7.562 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -16.214 11.347 6.757 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -14.788 10.449 3.660 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -16.286 10.713 4.558 1.00 0.00 H new ATOM 213 N ASP A 14 -6.895 9.784 8.318 1.00 0.00 N ATOM 214 CA ASP A 14 -5.934 9.660 9.404 1.00 0.00 C ATOM 215 C ASP A 14 -4.523 9.502 8.850 1.00 0.00 C ATOM 216 O ASP A 14 -3.555 9.973 9.444 1.00 0.00 O ATOM 217 CB ASP A 14 -6.280 8.421 10.232 1.00 0.00 C ATOM 218 CG ASP A 14 -7.386 8.708 11.236 1.00 0.00 C ATOM 219 OD1 ASP A 14 -7.200 9.577 12.115 1.00 0.00 O ATOM 220 OD2 ASP A 14 -8.431 8.018 11.195 1.00 0.00 O ATOM 0 H ASP A 14 -7.126 8.887 7.891 1.00 0.00 H new ATOM 0 HA ASP A 14 -5.977 10.558 10.020 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -6.591 7.615 9.568 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -5.391 8.075 10.759 1.00 0.00 H new ATOM 225 N VAL A 15 -4.427 8.847 7.691 1.00 0.00 N ATOM 226 CA VAL A 15 -3.227 8.559 6.918 1.00 0.00 C ATOM 227 C VAL A 15 -2.650 9.825 6.292 1.00 0.00 C ATOM 228 O VAL A 15 -2.724 10.047 5.081 1.00 0.00 O ATOM 229 CB VAL A 15 -3.410 7.355 5.978 1.00 0.00 C ATOM 230 CG1 VAL A 15 -2.067 6.918 5.389 1.00 0.00 C ATOM 231 CG2 VAL A 15 -3.928 6.110 6.712 1.00 0.00 C ATOM 0 H VAL A 15 -5.260 8.475 7.235 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.445 8.220 7.597 1.00 0.00 H new ATOM 0 HB VAL A 15 -4.118 7.692 5.221 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -2.220 6.065 4.727 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -1.632 7.742 4.824 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -1.391 6.635 6.196 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.039 5.290 6.003 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.219 5.824 7.489 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.894 6.331 7.166 1.00 0.00 H new ATOM 241 N LEU A 16 -2.215 10.745 7.143 1.00 0.00 N ATOM 242 CA LEU A 16 -1.585 12.012 6.808 1.00 0.00 C ATOM 243 C LEU A 16 -0.422 11.926 5.802 1.00 0.00 C ATOM 244 O LEU A 16 0.016 12.969 5.319 1.00 0.00 O ATOM 245 CB LEU A 16 -1.131 12.693 8.105 1.00 0.00 C ATOM 246 CG LEU A 16 -2.240 13.321 8.973 1.00 0.00 C ATOM 247 CD1 LEU A 16 -1.577 14.210 10.031 1.00 0.00 C ATOM 248 CD2 LEU A 16 -3.255 14.157 8.180 1.00 0.00 C ATOM 0 H LEU A 16 -2.299 10.616 8.151 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.341 12.603 6.291 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.599 11.958 8.709 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.414 13.473 7.849 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.802 12.500 9.418 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.345 14.665 10.657 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.915 13.606 10.651 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.000 14.993 9.539 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.002 14.564 8.861 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.739 14.975 7.677 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.745 13.526 7.438 1.00 0.00 H new ATOM 260 N VAL A 17 0.070 10.748 5.416 1.00 0.00 N ATOM 261 CA VAL A 17 0.779 10.571 4.149 1.00 0.00 C ATOM 262 C VAL A 17 0.465 9.184 3.614 1.00 0.00 C ATOM 263 O VAL A 17 0.831 8.168 4.199 1.00 0.00 O ATOM 264 CB VAL A 17 2.290 10.883 4.249 1.00 0.00 C ATOM 265 CG1 VAL A 17 2.944 10.324 5.515 1.00 0.00 C ATOM 266 CG2 VAL A 17 3.082 10.395 3.025 1.00 0.00 C ATOM 0 H VAL A 17 -0.011 9.895 5.969 1.00 0.00 H new ATOM 0 HA VAL A 17 0.423 11.306 3.428 1.00 0.00 H new ATOM 0 HB VAL A 17 2.333 11.971 4.291 1.00 0.00 H new ATOM 0 HG11 VAL A 17 4.004 10.580 5.520 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.463 10.754 6.393 1.00 0.00 H new ATOM 0 HG13 VAL A 17 2.832 9.240 5.534 1.00 0.00 H new ATOM 0 HG21 VAL A 17 4.136 10.642 3.152 1.00 0.00 H new ATOM 0 HG22 VAL A 17 2.971 9.315 2.927 1.00 0.00 H new ATOM 0 HG23 VAL A 17 2.701 10.882 2.127 1.00 0.00 H new ATOM 276 N ARG A 18 -0.250 9.129 2.493 1.00 0.00 N ATOM 277 CA ARG A 18 -0.598 7.886 1.823 1.00 0.00 C ATOM 278 C ARG A 18 0.474 7.454 0.816 1.00 0.00 C ATOM 279 O ARG A 18 0.221 6.578 -0.015 1.00 0.00 O ATOM 280 CB ARG A 18 -1.972 8.017 1.180 1.00 0.00 C ATOM 281 CG ARG A 18 -3.044 8.606 2.103 1.00 0.00 C ATOM 282 CD ARG A 18 -3.302 10.079 1.821 1.00 0.00 C ATOM 283 NE ARG A 18 -4.331 10.637 2.705 1.00 0.00 N ATOM 284 CZ ARG A 18 -4.975 11.796 2.546 1.00 0.00 C ATOM 285 NH1 ARG A 18 -4.783 12.566 1.490 1.00 0.00 N ATOM 286 NH2 ARG A 18 -5.845 12.203 3.460 1.00 0.00 N ATOM 0 H ARG A 18 -0.607 9.960 2.021 1.00 0.00 H new ATOM 0 HA ARG A 18 -0.642 7.092 2.568 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -1.887 8.645 0.293 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -2.299 7.033 0.844 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.972 8.047 1.982 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -2.733 8.486 3.141 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.375 10.639 1.945 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -3.612 10.200 0.783 1.00 0.00 H new ATOM 0 HE ARG A 18 -4.580 10.083 3.525 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -4.126 12.281 0.764 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -5.292 13.445 1.401 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -6.023 11.631 4.285 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -6.336 13.088 3.338 1.00 0.00 H new ATOM 300 N GLY A 19 1.638 8.100 0.822 1.00 0.00 N ATOM 301 CA GLY A 19 2.693 7.930 -0.148 1.00 0.00 C ATOM 302 C GLY A 19 3.773 7.045 0.443 1.00 0.00 C ATOM 303 O GLY A 19 4.453 7.440 1.388 1.00 0.00 O ATOM 0 H GLY A 19 1.872 8.785 1.540 1.00 0.00 H new ATOM 0 HA2 GLY A 19 2.297 7.482 -1.059 1.00 0.00 H new ATOM 0 HA3 GLY A 19 3.110 8.899 -0.424 1.00 0.00 H new ATOM 307 N PHE A 20 3.932 5.848 -0.122 1.00 0.00 N ATOM 308 CA PHE A 20 5.152 5.070 0.055 1.00 0.00 C ATOM 309 C PHE A 20 6.297 5.605 -0.808 1.00 0.00 C ATOM 310 O PHE A 20 7.442 5.220 -0.583 1.00 0.00 O ATOM 311 CB PHE A 20 4.889 3.616 -0.349 1.00 0.00 C ATOM 312 CG PHE A 20 4.246 2.747 0.698 1.00 0.00 C ATOM 313 CD1 PHE A 20 4.870 2.586 1.950 1.00 0.00 C ATOM 314 CD2 PHE A 20 3.072 2.036 0.392 1.00 0.00 C ATOM 315 CE1 PHE A 20 4.264 1.774 2.919 1.00 0.00 C ATOM 316 CE2 PHE A 20 2.511 1.177 1.342 1.00 0.00 C ATOM 317 CZ PHE A 20 3.101 1.055 2.608 1.00 0.00 C ATOM 0 H PHE A 20 3.228 5.398 -0.707 1.00 0.00 H new ATOM 0 HA PHE A 20 5.440 5.143 1.104 1.00 0.00 H new ATOM 0 HB2 PHE A 20 4.253 3.615 -1.234 1.00 0.00 H new ATOM 0 HB3 PHE A 20 5.837 3.162 -0.637 1.00 0.00 H new ATOM 0 HD1 PHE A 20 5.805 3.083 2.162 1.00 0.00 H new ATOM 0 HD2 PHE A 20 2.605 2.153 -0.575 1.00 0.00 H new ATOM 0 HE1 PHE A 20 4.694 1.702 3.907 1.00 0.00 H new ATOM 0 HE2 PHE A 20 1.625 0.609 1.101 1.00 0.00 H new ATOM 0 HZ PHE A 20 2.658 0.404 3.347 1.00 0.00 H new ATOM 327 N GLY A 21 6.010 6.435 -1.811 1.00 0.00 N ATOM 328 CA GLY A 21 6.900 6.690 -2.934 1.00 0.00 C ATOM 329 C GLY A 21 6.386 7.890 -3.714 1.00 0.00 C ATOM 330 O GLY A 21 5.865 8.834 -3.116 1.00 0.00 O ATOM 0 H GLY A 21 5.135 6.957 -1.863 1.00 0.00 H new ATOM 0 HA2 GLY A 21 7.912 6.880 -2.576 1.00 0.00 H new ATOM 0 HA3 GLY A 21 6.949 5.814 -3.581 1.00 0.00 H new ATOM 334 N ASP A 22 6.539 7.852 -5.032 1.00 0.00 N ATOM 335 CA ASP A 22 6.201 8.921 -5.977 1.00 0.00 C ATOM 336 C ASP A 22 5.991 8.317 -7.365 1.00 0.00 C ATOM 337 O ASP A 22 5.000 8.627 -8.029 1.00 0.00 O ATOM 338 CB ASP A 22 7.302 9.998 -6.020 1.00 0.00 C ATOM 339 CG ASP A 22 8.705 9.448 -6.285 1.00 0.00 C ATOM 340 OD1 ASP A 22 9.340 9.016 -5.298 1.00 0.00 O ATOM 341 OD2 ASP A 22 9.161 9.476 -7.450 1.00 0.00 O ATOM 0 H ASP A 22 6.923 7.031 -5.501 1.00 0.00 H new ATOM 0 HA ASP A 22 5.282 9.405 -5.645 1.00 0.00 H new ATOM 0 HB2 ASP A 22 7.055 10.723 -6.795 1.00 0.00 H new ATOM 0 HB3 ASP A 22 7.307 10.535 -5.071 1.00 0.00 H new ATOM 346 N SER A 23 6.826 7.349 -7.736 1.00 0.00 N ATOM 347 CA SER A 23 6.667 6.495 -8.903 1.00 0.00 C ATOM 348 C SER A 23 6.246 5.095 -8.439 1.00 0.00 C ATOM 349 O SER A 23 6.399 4.749 -7.261 1.00 0.00 O ATOM 350 CB SER A 23 7.957 6.497 -9.726 1.00 0.00 C ATOM 351 OG SER A 23 8.197 7.784 -10.259 1.00 0.00 O ATOM 0 H SER A 23 7.669 7.132 -7.205 1.00 0.00 H new ATOM 0 HA SER A 23 5.882 6.871 -9.559 1.00 0.00 H new ATOM 0 HB2 SER A 23 8.796 6.193 -9.100 1.00 0.00 H new ATOM 0 HB3 SER A 23 7.882 5.769 -10.534 1.00 0.00 H new ATOM 0 HG SER A 23 9.026 7.772 -10.782 1.00 0.00 H new ATOM 357 N VAL A 24 5.683 4.305 -9.350 1.00 0.00 N ATOM 358 CA VAL A 24 5.075 3.012 -9.054 1.00 0.00 C ATOM 359 C VAL A 24 6.056 2.095 -8.368 1.00 0.00 C ATOM 360 O VAL A 24 5.742 1.568 -7.299 1.00 0.00 O ATOM 361 CB VAL A 24 4.433 2.386 -10.306 1.00 0.00 C ATOM 362 CG1 VAL A 24 3.762 1.061 -10.006 1.00 0.00 C ATOM 363 CG2 VAL A 24 3.372 3.322 -10.848 1.00 0.00 C ATOM 0 H VAL A 24 5.636 4.553 -10.338 1.00 0.00 H new ATOM 0 HA VAL A 24 4.259 3.173 -8.350 1.00 0.00 H new ATOM 0 HB VAL A 24 5.234 2.221 -11.027 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.324 0.660 -10.920 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.500 0.359 -9.618 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.978 1.210 -9.263 1.00 0.00 H new ATOM 0 HG21 VAL A 24 2.916 2.881 -11.734 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.607 3.483 -10.089 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.829 4.276 -11.111 1.00 0.00 H new ATOM 373 N GLU A 25 7.218 1.888 -8.982 1.00 0.00 N ATOM 374 CA GLU A 25 8.114 0.871 -8.478 1.00 0.00 C ATOM 375 C GLU A 25 8.670 1.263 -7.110 1.00 0.00 C ATOM 376 O GLU A 25 8.912 0.375 -6.291 1.00 0.00 O ATOM 377 CB GLU A 25 9.258 0.611 -9.464 1.00 0.00 C ATOM 378 CG GLU A 25 8.915 -0.503 -10.461 1.00 0.00 C ATOM 379 CD GLU A 25 10.154 -1.025 -11.205 1.00 0.00 C ATOM 380 OE1 GLU A 25 10.948 -0.208 -11.721 1.00 0.00 O ATOM 381 OE2 GLU A 25 10.274 -2.262 -11.401 1.00 0.00 O ATOM 0 H GLU A 25 7.547 2.396 -9.803 1.00 0.00 H new ATOM 0 HA GLU A 25 7.542 -0.050 -8.365 1.00 0.00 H new ATOM 0 HB2 GLU A 25 9.483 1.528 -10.008 1.00 0.00 H new ATOM 0 HB3 GLU A 25 10.158 0.339 -8.912 1.00 0.00 H new ATOM 0 HG2 GLU A 25 8.439 -1.328 -9.931 1.00 0.00 H new ATOM 0 HG3 GLU A 25 8.191 -0.129 -11.185 1.00 0.00 H new ATOM 388 N GLU A 26 8.834 2.568 -6.862 1.00 0.00 N ATOM 389 CA GLU A 26 9.275 3.116 -5.583 1.00 0.00 C ATOM 390 C GLU A 26 8.313 2.614 -4.515 1.00 0.00 C ATOM 391 O GLU A 26 8.690 1.856 -3.623 1.00 0.00 O ATOM 392 CB GLU A 26 9.311 4.659 -5.610 1.00 0.00 C ATOM 393 CG GLU A 26 10.168 5.211 -6.747 1.00 0.00 C ATOM 394 CD GLU A 26 11.569 4.610 -6.831 1.00 0.00 C ATOM 395 OE1 GLU A 26 12.456 4.987 -6.037 1.00 0.00 O ATOM 396 OE2 GLU A 26 11.776 3.757 -7.725 1.00 0.00 O ATOM 0 H GLU A 26 8.658 3.286 -7.565 1.00 0.00 H new ATOM 0 HA GLU A 26 10.292 2.787 -5.368 1.00 0.00 H new ATOM 0 HB2 GLU A 26 8.295 5.040 -5.709 1.00 0.00 H new ATOM 0 HB3 GLU A 26 9.697 5.026 -4.659 1.00 0.00 H new ATOM 0 HG2 GLU A 26 9.653 5.035 -7.692 1.00 0.00 H new ATOM 0 HG3 GLU A 26 10.256 6.291 -6.628 1.00 0.00 H new ATOM 403 N ALA A 27 7.041 3.000 -4.650 1.00 0.00 N ATOM 404 CA ALA A 27 6.015 2.676 -3.682 1.00 0.00 C ATOM 405 C ALA A 27 5.860 1.168 -3.528 1.00 0.00 C ATOM 406 O ALA A 27 5.704 0.715 -2.401 1.00 0.00 O ATOM 407 CB ALA A 27 4.697 3.321 -4.115 1.00 0.00 C ATOM 0 H ALA A 27 6.703 3.548 -5.441 1.00 0.00 H new ATOM 0 HA ALA A 27 6.306 3.070 -2.708 1.00 0.00 H new ATOM 0 HB1 ALA A 27 3.919 3.081 -3.390 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.822 4.403 -4.169 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.410 2.940 -5.095 1.00 0.00 H new ATOM 413 N LEU A 28 5.920 0.385 -4.609 1.00 0.00 N ATOM 414 CA LEU A 28 5.859 -1.073 -4.549 1.00 0.00 C ATOM 415 C LEU A 28 7.001 -1.641 -3.690 1.00 0.00 C ATOM 416 O LEU A 28 6.792 -2.574 -2.910 1.00 0.00 O ATOM 417 CB LEU A 28 5.891 -1.635 -5.986 1.00 0.00 C ATOM 418 CG LEU A 28 4.912 -2.797 -6.204 1.00 0.00 C ATOM 419 CD1 LEU A 28 4.876 -3.194 -7.684 1.00 0.00 C ATOM 420 CD2 LEU A 28 5.247 -4.031 -5.365 1.00 0.00 C ATOM 0 H LEU A 28 6.013 0.751 -5.557 1.00 0.00 H new ATOM 0 HA LEU A 28 4.928 -1.379 -4.071 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.656 -0.834 -6.687 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.902 -1.973 -6.215 1.00 0.00 H new ATOM 0 HG LEU A 28 3.936 -2.435 -5.882 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.177 -4.019 -7.822 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.554 -2.341 -8.282 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.871 -3.504 -8.002 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.518 -4.816 -5.565 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.244 -4.387 -5.624 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.218 -3.770 -4.307 1.00 0.00 H new ATOM 432 N SER A 29 8.211 -1.097 -3.824 1.00 0.00 N ATOM 433 CA SER A 29 9.384 -1.547 -3.083 1.00 0.00 C ATOM 434 C SER A 29 9.246 -1.226 -1.596 1.00 0.00 C ATOM 435 O SER A 29 9.471 -2.099 -0.748 1.00 0.00 O ATOM 436 CB SER A 29 10.633 -0.872 -3.646 1.00 0.00 C ATOM 437 OG SER A 29 10.716 -1.108 -5.040 1.00 0.00 O ATOM 0 H SER A 29 8.404 -0.322 -4.459 1.00 0.00 H new ATOM 0 HA SER A 29 9.470 -2.628 -3.192 1.00 0.00 H new ATOM 0 HB2 SER A 29 10.598 0.200 -3.450 1.00 0.00 H new ATOM 0 HB3 SER A 29 11.523 -1.258 -3.148 1.00 0.00 H new ATOM 0 HG SER A 29 10.300 -0.364 -5.523 1.00 0.00 H new ATOM 443 N GLU A 30 8.863 0.010 -1.283 1.00 0.00 N ATOM 444 CA GLU A 30 8.744 0.470 0.086 1.00 0.00 C ATOM 445 C GLU A 30 7.567 -0.207 0.763 1.00 0.00 C ATOM 446 O GLU A 30 7.704 -0.624 1.906 1.00 0.00 O ATOM 447 CB GLU A 30 8.541 1.978 0.073 1.00 0.00 C ATOM 448 CG GLU A 30 9.628 2.847 -0.567 1.00 0.00 C ATOM 449 CD GLU A 30 11.106 2.413 -0.513 1.00 0.00 C ATOM 450 OE1 GLU A 30 11.455 1.214 -0.480 1.00 0.00 O ATOM 451 OE2 GLU A 30 11.969 3.314 -0.634 1.00 0.00 O ATOM 0 H GLU A 30 8.627 0.718 -1.979 1.00 0.00 H new ATOM 0 HA GLU A 30 9.649 0.221 0.641 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.603 2.184 -0.443 1.00 0.00 H new ATOM 0 HB3 GLU A 30 8.416 2.306 1.105 1.00 0.00 H new ATOM 0 HG2 GLU A 30 9.366 2.968 -1.618 1.00 0.00 H new ATOM 0 HG3 GLU A 30 9.565 3.833 -0.107 1.00 0.00 H new ATOM 458 N ALA A 31 6.453 -0.390 0.056 1.00 0.00 N ATOM 459 CA ALA A 31 5.297 -1.149 0.496 1.00 0.00 C ATOM 460 C ALA A 31 5.731 -2.500 1.038 1.00 0.00 C ATOM 461 O ALA A 31 5.443 -2.839 2.187 1.00 0.00 O ATOM 462 CB ALA A 31 4.328 -1.315 -0.671 1.00 0.00 C ATOM 0 H ALA A 31 6.332 0.005 -0.877 1.00 0.00 H new ATOM 0 HA ALA A 31 4.792 -0.612 1.299 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.458 -1.885 -0.344 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.008 -0.333 -1.021 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.824 -1.845 -1.484 1.00 0.00 H new ATOM 468 N ARG A 32 6.454 -3.258 0.218 1.00 0.00 N ATOM 469 CA ARG A 32 7.010 -4.551 0.572 1.00 0.00 C ATOM 470 C ARG A 32 7.909 -4.471 1.798 1.00 0.00 C ATOM 471 O ARG A 32 7.887 -5.403 2.603 1.00 0.00 O ATOM 472 CB ARG A 32 7.753 -5.045 -0.669 1.00 0.00 C ATOM 473 CG ARG A 32 8.213 -6.499 -0.610 1.00 0.00 C ATOM 474 CD ARG A 32 9.311 -6.633 -1.656 1.00 0.00 C ATOM 475 NE ARG A 32 9.698 -8.019 -1.930 1.00 0.00 N ATOM 476 CZ ARG A 32 10.854 -8.359 -2.508 1.00 0.00 C ATOM 477 NH1 ARG A 32 11.798 -7.446 -2.717 1.00 0.00 N ATOM 478 NH2 ARG A 32 11.063 -9.619 -2.868 1.00 0.00 N ATOM 0 H ARG A 32 6.673 -2.977 -0.738 1.00 0.00 H new ATOM 0 HA ARG A 32 6.225 -5.253 0.855 1.00 0.00 H new ATOM 0 HB2 ARG A 32 7.104 -4.920 -1.536 1.00 0.00 H new ATOM 0 HB3 ARG A 32 8.625 -4.410 -0.829 1.00 0.00 H new ATOM 0 HG2 ARG A 32 8.587 -6.750 0.383 1.00 0.00 H new ATOM 0 HG3 ARG A 32 7.387 -7.179 -0.821 1.00 0.00 H new ATOM 0 HD2 ARG A 32 8.976 -6.169 -2.583 1.00 0.00 H new ATOM 0 HD3 ARG A 32 10.188 -6.079 -1.322 1.00 0.00 H new ATOM 0 HE ARG A 32 9.052 -8.763 -1.666 1.00 0.00 H new ATOM 0 HH11 ARG A 32 11.643 -6.478 -2.436 1.00 0.00 H new ATOM 0 HH12 ARG A 32 12.678 -7.714 -3.159 1.00 0.00 H new ATOM 0 HH21 ARG A 32 10.343 -10.323 -2.703 1.00 0.00 H new ATOM 0 HH22 ARG A 32 11.943 -9.884 -3.310 1.00 0.00 H new ATOM 492 N GLU A 33 8.671 -3.396 1.978 1.00 0.00 N ATOM 493 CA GLU A 33 9.530 -3.243 3.128 1.00 0.00 C ATOM 494 C GLU A 33 8.670 -2.966 4.366 1.00 0.00 C ATOM 495 O GLU A 33 8.848 -3.607 5.401 1.00 0.00 O ATOM 496 CB GLU A 33 10.583 -2.158 2.811 1.00 0.00 C ATOM 497 CG GLU A 33 10.916 -1.207 3.963 1.00 0.00 C ATOM 498 CD GLU A 33 12.372 -0.746 3.990 1.00 0.00 C ATOM 499 OE1 GLU A 33 13.246 -1.609 4.245 1.00 0.00 O ATOM 500 OE2 GLU A 33 12.647 0.463 3.885 1.00 0.00 O ATOM 0 H GLU A 33 8.704 -2.612 1.326 1.00 0.00 H new ATOM 0 HA GLU A 33 10.086 -4.153 3.355 1.00 0.00 H new ATOM 0 HB2 GLU A 33 11.502 -2.650 2.492 1.00 0.00 H new ATOM 0 HB3 GLU A 33 10.228 -1.567 1.966 1.00 0.00 H new ATOM 0 HG2 GLU A 33 10.270 -0.332 3.896 1.00 0.00 H new ATOM 0 HG3 GLU A 33 10.685 -1.702 4.907 1.00 0.00 H new ATOM 507 N HIS A 34 7.713 -2.047 4.272 1.00 0.00 N ATOM 508 CA HIS A 34 6.882 -1.637 5.391 1.00 0.00 C ATOM 509 C HIS A 34 5.967 -2.790 5.807 1.00 0.00 C ATOM 510 O HIS A 34 5.665 -2.921 6.988 1.00 0.00 O ATOM 511 CB HIS A 34 6.100 -0.370 5.026 1.00 0.00 C ATOM 512 CG HIS A 34 6.955 0.879 4.918 1.00 0.00 C ATOM 513 ND1 HIS A 34 8.014 1.073 4.064 1.00 0.00 N ATOM 514 CD2 HIS A 34 6.756 2.065 5.574 1.00 0.00 C ATOM 515 CE1 HIS A 34 8.468 2.324 4.225 1.00 0.00 C ATOM 516 NE2 HIS A 34 7.727 2.970 5.138 1.00 0.00 N ATOM 0 H HIS A 34 7.493 -1.562 3.402 1.00 0.00 H new ATOM 0 HA HIS A 34 7.507 -1.393 6.250 1.00 0.00 H new ATOM 0 HB2 HIS A 34 5.591 -0.532 4.076 1.00 0.00 H new ATOM 0 HB3 HIS A 34 5.328 -0.204 5.777 1.00 0.00 H new ATOM 0 HD1 HIS A 34 8.391 0.381 3.416 1.00 0.00 H new ATOM 0 HD2 HIS A 34 5.983 2.265 6.301 1.00 0.00 H new ATOM 0 HE1 HIS A 34 9.308 2.750 3.697 1.00 0.00 H new ATOM 524 N LEU A 35 5.593 -3.686 4.887 1.00 0.00 N ATOM 525 CA LEU A 35 4.972 -4.964 5.223 1.00 0.00 C ATOM 526 C LEU A 35 5.915 -5.834 6.051 1.00 0.00 C ATOM 527 O LEU A 35 5.494 -6.436 7.037 1.00 0.00 O ATOM 528 CB LEU A 35 4.596 -5.763 3.957 1.00 0.00 C ATOM 529 CG LEU A 35 3.386 -5.275 3.152 1.00 0.00 C ATOM 530 CD1 LEU A 35 3.145 -6.214 1.969 1.00 0.00 C ATOM 531 CD2 LEU A 35 2.107 -5.195 3.972 1.00 0.00 C ATOM 0 H LEU A 35 5.715 -3.541 3.885 1.00 0.00 H new ATOM 0 HA LEU A 35 4.074 -4.726 5.794 1.00 0.00 H new ATOM 0 HB2 LEU A 35 5.461 -5.772 3.294 1.00 0.00 H new ATOM 0 HB3 LEU A 35 4.411 -6.796 4.252 1.00 0.00 H new ATOM 0 HG LEU A 35 3.626 -4.265 2.818 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.285 -5.866 1.398 1.00 0.00 H new ATOM 0 HD12 LEU A 35 4.026 -6.225 1.328 1.00 0.00 H new ATOM 0 HD13 LEU A 35 2.952 -7.222 2.338 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.291 -4.843 3.340 1.00 0.00 H new ATOM 0 HD22 LEU A 35 1.863 -6.183 4.363 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.249 -4.502 4.801 1.00 0.00 H new ATOM 543 N LYS A 36 7.168 -5.951 5.615 1.00 0.00 N ATOM 544 CA LYS A 36 8.168 -6.828 6.208 1.00 0.00 C ATOM 545 C LYS A 36 8.494 -6.394 7.633 1.00 0.00 C ATOM 546 O LYS A 36 8.732 -7.254 8.481 1.00 0.00 O ATOM 547 CB LYS A 36 9.392 -6.811 5.301 1.00 0.00 C ATOM 548 CG LYS A 36 10.324 -8.008 5.500 1.00 0.00 C ATOM 549 CD LYS A 36 11.260 -8.142 4.289 1.00 0.00 C ATOM 550 CE LYS A 36 12.126 -6.884 4.173 1.00 0.00 C ATOM 551 NZ LYS A 36 12.761 -6.698 2.855 1.00 0.00 N ATOM 0 H LYS A 36 7.522 -5.423 4.818 1.00 0.00 H new ATOM 0 HA LYS A 36 7.792 -7.848 6.285 1.00 0.00 H new ATOM 0 HB2 LYS A 36 9.063 -6.787 4.262 1.00 0.00 H new ATOM 0 HB3 LYS A 36 9.952 -5.893 5.479 1.00 0.00 H new ATOM 0 HG2 LYS A 36 10.908 -7.879 6.411 1.00 0.00 H new ATOM 0 HG3 LYS A 36 9.740 -8.920 5.623 1.00 0.00 H new ATOM 0 HD2 LYS A 36 11.892 -9.023 4.400 1.00 0.00 H new ATOM 0 HD3 LYS A 36 10.677 -8.281 3.379 1.00 0.00 H new ATOM 0 HE2 LYS A 36 11.509 -6.012 4.391 1.00 0.00 H new ATOM 0 HE3 LYS A 36 12.904 -6.923 4.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 13.327 -5.826 2.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 13.378 -7.510 2.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 12.026 -6.627 2.122 1.00 0.00 H new ATOM 565 N ASN A 37 8.494 -5.084 7.887 1.00 0.00 N ATOM 566 CA ASN A 37 8.641 -4.498 9.216 1.00 0.00 C ATOM 567 C ASN A 37 7.339 -4.634 9.993 1.00 0.00 C ATOM 568 O ASN A 37 7.335 -5.037 11.156 1.00 0.00 O ATOM 569 CB ASN A 37 8.967 -3.001 9.107 1.00 0.00 C ATOM 570 CG ASN A 37 10.266 -2.727 8.376 1.00 0.00 C ATOM 571 OD1 ASN A 37 11.258 -3.432 8.562 1.00 0.00 O ATOM 572 ND2 ASN A 37 10.268 -1.737 7.507 1.00 0.00 N ATOM 0 H ASN A 37 8.389 -4.384 7.152 1.00 0.00 H new ATOM 0 HA ASN A 37 9.448 -5.023 9.727 1.00 0.00 H new ATOM 0 HB2 ASN A 37 8.152 -2.495 8.590 1.00 0.00 H new ATOM 0 HB3 ASN A 37 9.023 -2.574 10.108 1.00 0.00 H new ATOM 0 HD21 ASN A 37 11.108 -1.536 6.965 1.00 0.00 H new ATOM 0 HD22 ASN A 37 9.429 -1.171 7.376 1.00 0.00 H new ATOM 579 N GLY A 38 6.233 -4.264 9.352 1.00 0.00 N ATOM 580 CA GLY A 38 4.906 -4.144 9.943 1.00 0.00 C ATOM 581 C GLY A 38 4.400 -2.699 9.987 1.00 0.00 C ATOM 582 O GLY A 38 3.279 -2.475 10.434 1.00 0.00 O ATOM 0 H GLY A 38 6.240 -4.029 8.359 1.00 0.00 H new ATOM 0 HA2 GLY A 38 4.204 -4.752 9.373 1.00 0.00 H new ATOM 0 HA3 GLY A 38 4.927 -4.547 10.956 1.00 0.00 H new ATOM 586 N THR A 39 5.164 -1.719 9.509 1.00 0.00 N ATOM 587 CA THR A 39 4.843 -0.289 9.522 1.00 0.00 C ATOM 588 C THR A 39 3.969 0.083 8.319 1.00 0.00 C ATOM 589 O THR A 39 4.152 1.109 7.669 1.00 0.00 O ATOM 590 CB THR A 39 6.163 0.509 9.617 1.00 0.00 C ATOM 591 OG1 THR A 39 7.159 0.010 8.727 1.00 0.00 O ATOM 592 CG2 THR A 39 6.730 0.393 11.036 1.00 0.00 C ATOM 0 H THR A 39 6.070 -1.908 9.080 1.00 0.00 H new ATOM 0 HA THR A 39 4.243 -0.031 10.395 1.00 0.00 H new ATOM 0 HB THR A 39 5.928 1.540 9.354 1.00 0.00 H new ATOM 0 HG1 THR A 39 7.976 0.544 8.818 1.00 0.00 H new ATOM 0 HG21 THR A 39 7.661 0.956 11.103 1.00 0.00 H new ATOM 0 HG22 THR A 39 6.011 0.795 11.749 1.00 0.00 H new ATOM 0 HG23 THR A 39 6.922 -0.655 11.266 1.00 0.00 H new ATOM 600 N CYS A 40 3.005 -0.774 7.998 1.00 0.00 N ATOM 601 CA CYS A 40 2.080 -0.630 6.896 1.00 0.00 C ATOM 602 C CYS A 40 0.677 -0.825 7.447 1.00 0.00 C ATOM 603 O CYS A 40 0.478 -1.613 8.376 1.00 0.00 O ATOM 604 CB CYS A 40 2.460 -1.658 5.830 1.00 0.00 C ATOM 605 SG CYS A 40 1.274 -1.744 4.465 1.00 0.00 S ATOM 0 H CYS A 40 2.846 -1.629 8.531 1.00 0.00 H new ATOM 0 HA CYS A 40 2.118 0.354 6.429 1.00 0.00 H new ATOM 0 HB2 CYS A 40 3.444 -1.412 5.432 1.00 0.00 H new ATOM 0 HB3 CYS A 40 2.541 -2.641 6.295 1.00 0.00 H new ATOM 0 HG CYS A 40 0.752 -0.570 4.269 1.00 0.00 H new ATOM 611 N GLY A 41 -0.288 -0.138 6.842 1.00 0.00 N ATOM 612 CA GLY A 41 -1.709 -0.324 7.027 1.00 0.00 C ATOM 613 C GLY A 41 -2.420 -0.521 5.687 1.00 0.00 C ATOM 614 O GLY A 41 -1.779 -0.589 4.635 1.00 0.00 O ATOM 0 H GLY A 41 -0.079 0.603 6.173 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.885 -1.189 7.666 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.128 0.542 7.540 1.00 0.00 H new ATOM 618 N LEU A 42 -3.743 -0.652 5.721 1.00 0.00 N ATOM 619 CA LEU A 42 -4.634 -0.826 4.576 1.00 0.00 C ATOM 620 C LEU A 42 -5.672 0.293 4.626 1.00 0.00 C ATOM 621 O LEU A 42 -6.080 0.705 5.711 1.00 0.00 O ATOM 622 CB LEU A 42 -5.319 -2.210 4.680 1.00 0.00 C ATOM 623 CG LEU A 42 -6.319 -2.535 3.547 1.00 0.00 C ATOM 624 CD1 LEU A 42 -5.617 -2.787 2.213 1.00 0.00 C ATOM 625 CD2 LEU A 42 -7.159 -3.778 3.856 1.00 0.00 C ATOM 0 H LEU A 42 -4.254 -0.639 6.604 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.088 -0.781 3.634 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.547 -2.980 4.694 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.844 -2.267 5.634 1.00 0.00 H new ATOM 0 HG LEU A 42 -6.959 -1.656 3.476 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.360 -3.011 1.448 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -5.055 -1.899 1.924 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.935 -3.631 2.315 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -7.847 -3.967 3.032 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -6.502 -4.638 3.985 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -7.727 -3.615 4.772 1.00 0.00 H new ATOM 637 N VAL A 43 -6.160 0.721 3.468 1.00 0.00 N ATOM 638 CA VAL A 43 -7.346 1.548 3.321 1.00 0.00 C ATOM 639 C VAL A 43 -8.278 0.844 2.327 1.00 0.00 C ATOM 640 O VAL A 43 -7.833 0.086 1.462 1.00 0.00 O ATOM 641 CB VAL A 43 -6.900 2.977 2.935 1.00 0.00 C ATOM 642 CG1 VAL A 43 -7.973 3.780 2.186 1.00 0.00 C ATOM 643 CG2 VAL A 43 -6.481 3.724 4.212 1.00 0.00 C ATOM 0 H VAL A 43 -5.723 0.492 2.575 1.00 0.00 H new ATOM 0 HA VAL A 43 -7.919 1.668 4.240 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.064 2.878 2.242 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -7.586 4.771 1.949 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -8.236 3.263 1.263 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -8.859 3.876 2.813 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -6.164 4.735 3.955 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -7.326 3.773 4.899 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -5.656 3.195 4.689 1.00 0.00 H new ATOM 653 N GLU A 44 -9.592 1.009 2.481 1.00 0.00 N ATOM 654 CA GLU A 44 -10.582 0.461 1.559 1.00 0.00 C ATOM 655 C GLU A 44 -10.604 1.226 0.250 1.00 0.00 C ATOM 656 O GLU A 44 -10.312 2.424 0.185 1.00 0.00 O ATOM 657 CB GLU A 44 -11.992 0.467 2.168 1.00 0.00 C ATOM 658 CG GLU A 44 -12.274 -0.839 2.918 1.00 0.00 C ATOM 659 CD GLU A 44 -13.767 -1.084 3.117 1.00 0.00 C ATOM 660 OE1 GLU A 44 -14.526 -0.111 3.344 1.00 0.00 O ATOM 661 OE2 GLU A 44 -14.174 -2.261 3.003 1.00 0.00 O ATOM 0 H GLU A 44 -10.001 1.531 3.256 1.00 0.00 H new ATOM 0 HA GLU A 44 -10.285 -0.570 1.367 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -12.093 1.311 2.850 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -12.732 0.604 1.379 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -11.842 -1.673 2.365 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -11.780 -0.811 3.889 1.00 0.00 H new ATOM 668 N LEU A 45 -10.983 0.511 -0.804 1.00 0.00 N ATOM 669 CA LEU A 45 -11.170 1.075 -2.131 1.00 0.00 C ATOM 670 C LEU A 45 -12.499 1.812 -2.232 1.00 0.00 C ATOM 671 O LEU A 45 -13.513 1.281 -2.694 1.00 0.00 O ATOM 672 CB LEU A 45 -10.952 -0.001 -3.207 1.00 0.00 C ATOM 673 CG LEU A 45 -9.581 0.192 -3.871 1.00 0.00 C ATOM 674 CD1 LEU A 45 -9.257 -1.020 -4.736 1.00 0.00 C ATOM 675 CD2 LEU A 45 -9.533 1.442 -4.762 1.00 0.00 C ATOM 0 H LEU A 45 -11.171 -0.490 -0.757 1.00 0.00 H new ATOM 0 HA LEU A 45 -10.411 1.836 -2.315 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -11.012 -0.993 -2.759 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -11.740 0.058 -3.957 1.00 0.00 H new ATOM 0 HG LEU A 45 -8.853 0.312 -3.069 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -8.284 -0.881 -5.207 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -9.235 -1.915 -4.115 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -10.020 -1.131 -5.507 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -8.543 1.533 -5.208 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -10.280 1.355 -5.551 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -9.743 2.326 -4.160 1.00 0.00 H new ATOM 687 N GLU A 46 -12.481 3.066 -1.794 1.00 0.00 N ATOM 688 CA GLU A 46 -13.612 3.974 -1.874 1.00 0.00 C ATOM 689 C GLU A 46 -13.707 4.537 -3.294 1.00 0.00 C ATOM 690 O GLU A 46 -12.758 4.429 -4.074 1.00 0.00 O ATOM 691 CB GLU A 46 -13.416 5.141 -0.904 1.00 0.00 C ATOM 692 CG GLU A 46 -13.219 4.752 0.571 1.00 0.00 C ATOM 693 CD GLU A 46 -14.525 4.751 1.347 1.00 0.00 C ATOM 694 OE1 GLU A 46 -14.964 5.854 1.747 1.00 0.00 O ATOM 695 OE2 GLU A 46 -15.096 3.664 1.582 1.00 0.00 O ATOM 0 H GLU A 46 -11.658 3.487 -1.363 1.00 0.00 H new ATOM 0 HA GLU A 46 -14.521 3.430 -1.617 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -12.550 5.718 -1.228 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -14.282 5.799 -0.975 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -12.766 3.762 0.626 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -12.522 5.448 1.038 1.00 0.00 H new ATOM 702 N LYS A 47 -14.807 5.226 -3.622 1.00 0.00 N ATOM 703 CA LYS A 47 -14.889 6.017 -4.852 1.00 0.00 C ATOM 704 C LYS A 47 -14.023 7.285 -4.791 1.00 0.00 C ATOM 705 O LYS A 47 -13.684 7.840 -5.841 1.00 0.00 O ATOM 706 CB LYS A 47 -16.358 6.377 -5.107 1.00 0.00 C ATOM 707 CG LYS A 47 -16.643 6.834 -6.553 1.00 0.00 C ATOM 708 CD LYS A 47 -17.698 5.936 -7.207 1.00 0.00 C ATOM 709 CE LYS A 47 -17.166 4.511 -7.384 1.00 0.00 C ATOM 710 NZ LYS A 47 -18.238 3.508 -7.257 1.00 0.00 N ATOM 0 H LYS A 47 -15.652 5.250 -3.051 1.00 0.00 H new ATOM 0 HA LYS A 47 -14.499 5.418 -5.675 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -16.980 5.511 -4.880 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -16.653 7.170 -4.420 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -16.989 7.868 -6.551 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -15.723 6.806 -7.136 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -18.599 5.919 -6.593 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -17.981 6.346 -8.176 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -16.695 4.418 -8.362 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -16.395 4.316 -6.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -17.839 2.556 -7.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -18.671 3.580 -6.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -18.961 3.679 -7.984 1.00 0.00 H new ATOM 724 N GLY A 48 -13.655 7.749 -3.594 1.00 0.00 N ATOM 725 CA GLY A 48 -12.959 9.008 -3.386 1.00 0.00 C ATOM 726 C GLY A 48 -11.760 8.839 -2.464 1.00 0.00 C ATOM 727 O GLY A 48 -11.634 9.603 -1.508 1.00 0.00 O ATOM 0 H GLY A 48 -13.840 7.244 -2.727 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -12.628 9.404 -4.346 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -13.647 9.739 -2.960 1.00 0.00 H new ATOM 731 N VAL A 49 -10.886 7.867 -2.725 1.00 0.00 N ATOM 732 CA VAL A 49 -9.603 7.701 -2.054 1.00 0.00 C ATOM 733 C VAL A 49 -8.528 8.114 -3.048 1.00 0.00 C ATOM 734 O VAL A 49 -7.744 9.006 -2.757 1.00 0.00 O ATOM 735 CB VAL A 49 -9.526 6.237 -1.584 1.00 0.00 C ATOM 736 CG1 VAL A 49 -8.142 5.591 -1.512 1.00 0.00 C ATOM 737 CG2 VAL A 49 -10.116 6.151 -0.170 1.00 0.00 C ATOM 0 H VAL A 49 -11.060 7.153 -3.432 1.00 0.00 H new ATOM 0 HA VAL A 49 -9.467 8.321 -1.168 1.00 0.00 H new ATOM 0 HB VAL A 49 -10.071 5.689 -2.353 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -8.238 4.562 -1.166 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -7.684 5.600 -2.501 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -7.515 6.150 -0.817 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -10.070 5.120 0.181 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -9.543 6.789 0.503 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -11.154 6.483 -0.188 1.00 0.00 H new ATOM 747 N LEU A 50 -8.578 7.584 -4.266 1.00 0.00 N ATOM 748 CA LEU A 50 -7.731 7.954 -5.388 1.00 0.00 C ATOM 749 C LEU A 50 -7.491 9.471 -5.511 1.00 0.00 C ATOM 750 O LEU A 50 -6.332 9.885 -5.552 1.00 0.00 O ATOM 751 CB LEU A 50 -8.330 7.339 -6.669 1.00 0.00 C ATOM 752 CG LEU A 50 -7.860 5.892 -6.847 1.00 0.00 C ATOM 753 CD1 LEU A 50 -8.389 4.797 -5.929 1.00 0.00 C ATOM 754 CD2 LEU A 50 -8.051 5.402 -8.286 1.00 0.00 C ATOM 0 H LEU A 50 -9.244 6.849 -4.506 1.00 0.00 H new ATOM 0 HA LEU A 50 -6.733 7.549 -5.218 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -9.418 7.369 -6.618 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -8.035 7.931 -7.535 1.00 0.00 H new ATOM 0 HG LEU A 50 -6.818 6.018 -6.552 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -7.943 3.842 -6.208 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -8.130 5.031 -4.896 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -9.473 4.734 -6.025 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.705 4.372 -8.368 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -9.107 5.452 -8.550 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -7.477 6.033 -8.964 1.00 0.00 H new ATOM 766 N PRO A 51 -8.529 10.329 -5.513 1.00 0.00 N ATOM 767 CA PRO A 51 -8.356 11.773 -5.634 1.00 0.00 C ATOM 768 C PRO A 51 -7.844 12.465 -4.349 1.00 0.00 C ATOM 769 O PRO A 51 -7.746 13.689 -4.330 1.00 0.00 O ATOM 770 CB PRO A 51 -9.718 12.273 -6.124 1.00 0.00 C ATOM 771 CG PRO A 51 -10.707 11.311 -5.477 1.00 0.00 C ATOM 772 CD PRO A 51 -9.943 9.992 -5.445 1.00 0.00 C ATOM 0 HA PRO A 51 -7.559 12.027 -6.333 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -9.901 13.303 -5.817 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -9.787 12.247 -7.212 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -10.989 11.637 -4.476 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -11.627 11.229 -6.056 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -10.166 9.437 -4.534 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -10.231 9.357 -6.283 1.00 0.00 H new ATOM 780 N GLN A 52 -7.531 11.734 -3.274 1.00 0.00 N ATOM 781 CA GLN A 52 -6.853 12.235 -2.070 1.00 0.00 C ATOM 782 C GLN A 52 -5.446 11.639 -1.931 1.00 0.00 C ATOM 783 O GLN A 52 -4.576 12.227 -1.282 1.00 0.00 O ATOM 784 CB GLN A 52 -7.643 11.848 -0.808 1.00 0.00 C ATOM 785 CG GLN A 52 -9.082 12.364 -0.774 1.00 0.00 C ATOM 786 CD GLN A 52 -9.721 12.065 0.579 1.00 0.00 C ATOM 787 OE1 GLN A 52 -9.360 12.628 1.607 1.00 0.00 O ATOM 788 NE2 GLN A 52 -10.711 11.197 0.620 1.00 0.00 N ATOM 0 H GLN A 52 -7.750 10.740 -3.215 1.00 0.00 H new ATOM 0 HA GLN A 52 -6.789 13.318 -2.171 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -7.659 10.761 -0.724 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.114 12.228 0.066 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -9.095 13.438 -0.960 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -9.662 11.896 -1.569 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -11.013 10.727 -0.234 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -11.175 10.995 1.505 1.00 0.00 H new ATOM 797 N LEU A 53 -5.211 10.471 -2.520 1.00 0.00 N ATOM 798 CA LEU A 53 -3.958 9.727 -2.462 1.00 0.00 C ATOM 799 C LEU A 53 -2.995 10.378 -3.454 1.00 0.00 C ATOM 800 O LEU A 53 -3.392 11.253 -4.230 1.00 0.00 O ATOM 801 CB LEU A 53 -4.269 8.267 -2.855 1.00 0.00 C ATOM 802 CG LEU A 53 -4.869 7.363 -1.754 1.00 0.00 C ATOM 803 CD1 LEU A 53 -3.792 6.455 -1.170 1.00 0.00 C ATOM 804 CD2 LEU A 53 -5.533 8.072 -0.577 1.00 0.00 C ATOM 0 H LEU A 53 -5.922 9.996 -3.076 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.506 9.737 -1.470 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.961 8.282 -3.697 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.347 7.806 -3.208 1.00 0.00 H new ATOM 0 HG LEU A 53 -5.655 6.822 -2.281 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -4.229 5.824 -0.396 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.378 5.827 -1.959 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.998 7.064 -0.737 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -5.914 7.331 0.126 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.802 8.706 -0.075 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -6.358 8.685 -0.940 1.00 0.00 H new ATOM 816 N GLU A 54 -1.726 9.981 -3.393 1.00 0.00 N ATOM 817 CA GLU A 54 -0.656 10.551 -4.198 1.00 0.00 C ATOM 818 C GLU A 54 -0.878 10.063 -5.615 1.00 0.00 C ATOM 819 O GLU A 54 -1.635 10.683 -6.365 1.00 0.00 O ATOM 820 CB GLU A 54 0.707 10.258 -3.530 1.00 0.00 C ATOM 821 CG GLU A 54 0.681 10.698 -2.050 1.00 0.00 C ATOM 822 CD GLU A 54 1.961 11.362 -1.534 1.00 0.00 C ATOM 823 OE1 GLU A 54 3.061 10.814 -1.762 1.00 0.00 O ATOM 824 OE2 GLU A 54 1.832 12.383 -0.814 1.00 0.00 O ATOM 0 H GLU A 54 -1.410 9.239 -2.769 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.656 11.639 -4.258 1.00 0.00 H new ATOM 0 HB2 GLU A 54 0.931 9.193 -3.597 1.00 0.00 H new ATOM 0 HB3 GLU A 54 1.501 10.785 -4.060 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -0.148 11.391 -1.910 1.00 0.00 H new ATOM 0 HG3 GLU A 54 0.473 9.824 -1.433 1.00 0.00 H new ATOM 831 N GLN A 55 -0.317 8.917 -5.969 1.00 0.00 N ATOM 832 CA GLN A 55 -0.450 8.395 -7.312 1.00 0.00 C ATOM 833 C GLN A 55 -0.151 6.905 -7.334 1.00 0.00 C ATOM 834 O GLN A 55 -1.061 6.163 -7.678 1.00 0.00 O ATOM 835 CB GLN A 55 0.445 9.196 -8.262 1.00 0.00 C ATOM 836 CG GLN A 55 -0.315 10.314 -8.999 1.00 0.00 C ATOM 837 CD GLN A 55 0.020 10.404 -10.474 1.00 0.00 C ATOM 838 OE1 GLN A 55 0.498 11.415 -10.978 1.00 0.00 O ATOM 839 NE2 GLN A 55 -0.321 9.385 -11.229 1.00 0.00 N ATOM 0 H GLN A 55 0.235 8.333 -5.341 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.478 8.509 -7.657 1.00 0.00 H new ATOM 0 HB2 GLN A 55 1.267 9.634 -7.696 1.00 0.00 H new ATOM 0 HB3 GLN A 55 0.887 8.520 -8.994 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -1.387 10.148 -8.888 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -0.089 11.269 -8.525 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -0.718 8.547 -10.805 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -0.189 9.432 -12.239 1.00 0.00 H new ATOM 848 N PRO A 56 1.054 6.412 -6.992 1.00 0.00 N ATOM 849 CA PRO A 56 1.288 4.981 -7.053 1.00 0.00 C ATOM 850 C PRO A 56 0.558 4.280 -5.908 1.00 0.00 C ATOM 851 O PRO A 56 1.084 4.112 -4.807 1.00 0.00 O ATOM 852 CB PRO A 56 2.796 4.812 -7.084 1.00 0.00 C ATOM 853 CG PRO A 56 3.341 6.053 -6.394 1.00 0.00 C ATOM 854 CD PRO A 56 2.314 7.123 -6.767 1.00 0.00 C ATOM 0 HA PRO A 56 0.879 4.501 -7.942 1.00 0.00 H new ATOM 0 HB2 PRO A 56 3.103 3.904 -6.565 1.00 0.00 H new ATOM 0 HB3 PRO A 56 3.164 4.734 -8.107 1.00 0.00 H new ATOM 0 HG2 PRO A 56 3.412 5.918 -5.315 1.00 0.00 H new ATOM 0 HG3 PRO A 56 4.339 6.308 -6.749 1.00 0.00 H new ATOM 0 HD2 PRO A 56 2.210 7.859 -5.969 1.00 0.00 H new ATOM 0 HD3 PRO A 56 2.622 7.664 -7.662 1.00 0.00 H new ATOM 862 N TYR A 57 -0.693 3.916 -6.185 1.00 0.00 N ATOM 863 CA TYR A 57 -1.576 3.228 -5.260 1.00 0.00 C ATOM 864 C TYR A 57 -1.182 1.759 -5.270 1.00 0.00 C ATOM 865 O TYR A 57 -1.393 1.071 -6.271 1.00 0.00 O ATOM 866 CB TYR A 57 -3.055 3.382 -5.658 1.00 0.00 C ATOM 867 CG TYR A 57 -3.477 4.749 -6.149 1.00 0.00 C ATOM 868 CD1 TYR A 57 -3.088 5.928 -5.476 1.00 0.00 C ATOM 869 CD2 TYR A 57 -4.300 4.826 -7.283 1.00 0.00 C ATOM 870 CE1 TYR A 57 -3.467 7.183 -5.983 1.00 0.00 C ATOM 871 CE2 TYR A 57 -4.695 6.075 -7.780 1.00 0.00 C ATOM 872 CZ TYR A 57 -4.252 7.260 -7.155 1.00 0.00 C ATOM 873 OH TYR A 57 -4.616 8.470 -7.654 1.00 0.00 O ATOM 0 H TYR A 57 -1.128 4.100 -7.089 1.00 0.00 H new ATOM 0 HA TYR A 57 -1.473 3.660 -4.265 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -3.277 2.654 -6.439 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -3.670 3.123 -4.796 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -2.500 5.865 -4.572 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -4.629 3.922 -7.773 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -3.159 8.086 -5.478 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -5.340 6.131 -8.644 1.00 0.00 H new ATOM 0 HH TYR A 57 -5.168 8.942 -6.997 1.00 0.00 H new ATOM 883 N VAL A 58 -0.578 1.299 -4.183 1.00 0.00 N ATOM 884 CA VAL A 58 -0.170 -0.083 -4.022 1.00 0.00 C ATOM 885 C VAL A 58 -1.414 -0.905 -3.673 1.00 0.00 C ATOM 886 O VAL A 58 -1.829 -0.969 -2.514 1.00 0.00 O ATOM 887 CB VAL A 58 0.962 -0.190 -2.990 1.00 0.00 C ATOM 888 CG1 VAL A 58 1.464 -1.634 -2.941 1.00 0.00 C ATOM 889 CG2 VAL A 58 2.136 0.739 -3.348 1.00 0.00 C ATOM 0 H VAL A 58 -0.356 1.886 -3.379 1.00 0.00 H new ATOM 0 HA VAL A 58 0.247 -0.488 -4.944 1.00 0.00 H new ATOM 0 HB VAL A 58 0.569 0.111 -2.019 1.00 0.00 H new ATOM 0 HG11 VAL A 58 2.268 -1.715 -2.210 1.00 0.00 H new ATOM 0 HG12 VAL A 58 0.645 -2.294 -2.655 1.00 0.00 H new ATOM 0 HG13 VAL A 58 1.837 -1.923 -3.924 1.00 0.00 H new ATOM 0 HG21 VAL A 58 2.921 0.639 -2.598 1.00 0.00 H new ATOM 0 HG22 VAL A 58 2.532 0.465 -4.326 1.00 0.00 H new ATOM 0 HG23 VAL A 58 1.788 1.772 -3.374 1.00 0.00 H new ATOM 899 N PHE A 59 -2.052 -1.498 -4.676 1.00 0.00 N ATOM 900 CA PHE A 59 -3.245 -2.306 -4.492 1.00 0.00 C ATOM 901 C PHE A 59 -2.915 -3.699 -4.005 1.00 0.00 C ATOM 902 O PHE A 59 -1.808 -4.217 -4.176 1.00 0.00 O ATOM 903 CB PHE A 59 -3.989 -2.457 -5.821 1.00 0.00 C ATOM 904 CG PHE A 59 -4.545 -1.201 -6.445 1.00 0.00 C ATOM 905 CD1 PHE A 59 -5.316 -0.318 -5.672 1.00 0.00 C ATOM 906 CD2 PHE A 59 -4.383 -0.968 -7.824 1.00 0.00 C ATOM 907 CE1 PHE A 59 -5.866 0.833 -6.261 1.00 0.00 C ATOM 908 CE2 PHE A 59 -5.031 0.121 -8.428 1.00 0.00 C ATOM 909 CZ PHE A 59 -5.750 1.040 -7.645 1.00 0.00 C ATOM 0 H PHE A 59 -1.750 -1.429 -5.648 1.00 0.00 H new ATOM 0 HA PHE A 59 -3.856 -1.794 -3.749 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -3.310 -2.919 -6.538 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -4.814 -3.153 -5.669 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -5.486 -0.523 -4.625 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -3.762 -1.625 -8.415 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -6.379 1.560 -5.648 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -4.977 0.253 -9.499 1.00 0.00 H new ATOM 0 HZ PHE A 59 -6.211 1.901 -8.105 1.00 0.00 H new ATOM 919 N ILE A 60 -3.969 -4.331 -3.490 1.00 0.00 N ATOM 920 CA ILE A 60 -3.988 -5.733 -3.153 1.00 0.00 C ATOM 921 C ILE A 60 -5.179 -6.375 -3.841 1.00 0.00 C ATOM 922 O ILE A 60 -6.325 -5.985 -3.622 1.00 0.00 O ATOM 923 CB ILE A 60 -3.938 -5.934 -1.633 1.00 0.00 C ATOM 924 CG1 ILE A 60 -5.187 -5.480 -0.865 1.00 0.00 C ATOM 925 CG2 ILE A 60 -2.691 -5.253 -1.098 1.00 0.00 C ATOM 926 CD1 ILE A 60 -5.202 -5.895 0.608 1.00 0.00 C ATOM 0 H ILE A 60 -4.852 -3.859 -3.295 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.095 -6.239 -3.520 1.00 0.00 H new ATOM 0 HB ILE A 60 -3.907 -7.010 -1.463 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -5.263 -4.394 -0.926 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -6.070 -5.889 -1.355 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -2.639 -5.386 -0.017 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.808 -5.695 -1.561 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -2.729 -4.189 -1.331 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -6.117 -5.536 1.078 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -5.160 -6.982 0.680 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -4.340 -5.464 1.116 1.00 0.00 H new ATOM 938 N LYS A 61 -4.920 -7.343 -4.709 1.00 0.00 N ATOM 939 CA LYS A 61 -5.952 -8.010 -5.493 1.00 0.00 C ATOM 940 C LYS A 61 -5.790 -9.507 -5.394 1.00 0.00 C ATOM 941 O LYS A 61 -4.655 -9.952 -5.255 1.00 0.00 O ATOM 942 CB LYS A 61 -5.928 -7.492 -6.936 1.00 0.00 C ATOM 943 CG LYS A 61 -4.566 -7.489 -7.619 1.00 0.00 C ATOM 944 CD LYS A 61 -4.532 -8.319 -8.913 1.00 0.00 C ATOM 945 CE LYS A 61 -3.135 -8.895 -9.135 1.00 0.00 C ATOM 946 NZ LYS A 61 -3.091 -9.927 -10.194 1.00 0.00 N ATOM 0 H LYS A 61 -3.979 -7.691 -4.891 1.00 0.00 H new ATOM 0 HA LYS A 61 -6.938 -7.777 -5.092 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.610 -8.099 -7.531 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -6.319 -6.474 -6.943 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -4.284 -6.461 -7.848 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -3.819 -7.878 -6.927 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -5.261 -9.127 -8.854 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -4.815 -7.695 -9.761 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -2.453 -8.086 -9.397 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -2.774 -9.326 -8.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -2.169 -10.408 -10.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -3.848 -10.621 -10.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -3.224 -9.478 -11.122 1.00 0.00 H new ATOM 960 N ARG A 62 -6.894 -10.269 -5.416 1.00 0.00 N ATOM 961 CA ARG A 62 -6.924 -11.739 -5.287 1.00 0.00 C ATOM 962 C ARG A 62 -6.314 -12.422 -6.496 1.00 0.00 C ATOM 963 O ARG A 62 -6.986 -12.992 -7.359 1.00 0.00 O ATOM 964 CB ARG A 62 -8.302 -12.328 -4.963 1.00 0.00 C ATOM 965 CG ARG A 62 -9.416 -11.572 -5.668 1.00 0.00 C ATOM 966 CD ARG A 62 -10.671 -12.420 -5.896 1.00 0.00 C ATOM 967 NE ARG A 62 -10.698 -12.977 -7.264 1.00 0.00 N ATOM 968 CZ ARG A 62 -11.698 -13.686 -7.816 1.00 0.00 C ATOM 969 NH1 ARG A 62 -12.722 -14.088 -7.073 1.00 0.00 N ATOM 970 NH2 ARG A 62 -11.664 -13.973 -9.114 1.00 0.00 N ATOM 0 H ARG A 62 -7.825 -9.867 -5.528 1.00 0.00 H new ATOM 0 HA ARG A 62 -6.306 -11.948 -4.414 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -8.329 -13.376 -5.260 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -8.467 -12.298 -3.886 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -9.681 -10.695 -5.078 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -9.050 -11.211 -6.629 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -10.702 -13.232 -5.169 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -11.560 -11.811 -5.731 1.00 0.00 H new ATOM 0 HE ARG A 62 -9.878 -12.807 -7.846 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -12.752 -13.859 -6.079 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -13.479 -14.626 -7.496 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -10.882 -13.656 -9.686 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -12.420 -14.511 -9.537 1.00 0.00 H new ATOM 984 N SER A 63 -5.001 -12.359 -6.461 1.00 0.00 N ATOM 985 CA SER A 63 -4.038 -12.921 -7.377 1.00 0.00 C ATOM 986 C SER A 63 -4.469 -12.649 -8.819 1.00 0.00 C ATOM 987 O SER A 63 -5.070 -11.609 -9.090 1.00 0.00 O ATOM 988 CB SER A 63 -3.851 -14.388 -6.983 1.00 0.00 C ATOM 989 OG SER A 63 -2.746 -14.917 -7.680 1.00 0.00 O ATOM 0 H SER A 63 -4.533 -11.857 -5.706 1.00 0.00 H new ATOM 0 HA SER A 63 -3.054 -12.456 -7.317 1.00 0.00 H new ATOM 0 HB2 SER A 63 -3.692 -14.471 -5.908 1.00 0.00 H new ATOM 0 HB3 SER A 63 -4.750 -14.957 -7.217 1.00 0.00 H new ATOM 0 HG SER A 63 -2.522 -15.799 -7.317 1.00 0.00 H new ATOM 995 N ASP A 64 -4.139 -13.517 -9.770 1.00 0.00 N ATOM 996 CA ASP A 64 -4.762 -13.517 -11.096 1.00 0.00 C ATOM 997 C ASP A 64 -5.967 -14.465 -11.050 1.00 0.00 C ATOM 998 O ASP A 64 -6.049 -15.447 -11.779 1.00 0.00 O ATOM 999 CB ASP A 64 -3.734 -13.829 -12.195 1.00 0.00 C ATOM 1000 CG ASP A 64 -4.203 -13.229 -13.523 1.00 0.00 C ATOM 1001 OD1 ASP A 64 -4.938 -13.885 -14.286 1.00 0.00 O ATOM 1002 OD2 ASP A 64 -3.870 -12.039 -13.770 1.00 0.00 O ATOM 0 H ASP A 64 -3.432 -14.242 -9.646 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.134 -12.527 -11.361 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -2.761 -13.420 -11.923 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -3.610 -14.907 -12.295 1.00 0.00 H new ATOM 1007 N ALA A 65 -6.872 -14.209 -10.096 1.00 0.00 N ATOM 1008 CA ALA A 65 -8.085 -14.967 -9.766 1.00 0.00 C ATOM 1009 C ALA A 65 -7.815 -16.393 -9.278 1.00 0.00 C ATOM 1010 O ALA A 65 -8.706 -17.243 -9.248 1.00 0.00 O ATOM 1011 CB ALA A 65 -9.085 -14.909 -10.919 1.00 0.00 C ATOM 0 H ALA A 65 -6.765 -13.399 -9.485 1.00 0.00 H new ATOM 0 HA ALA A 65 -8.538 -14.476 -8.905 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -9.977 -15.477 -10.656 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -9.358 -13.872 -11.112 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -8.634 -15.337 -11.814 1.00 0.00 H new ATOM 1017 N LEU A 66 -6.602 -16.655 -8.820 1.00 0.00 N ATOM 1018 CA LEU A 66 -6.107 -17.975 -8.454 1.00 0.00 C ATOM 1019 C LEU A 66 -6.638 -18.482 -7.102 1.00 0.00 C ATOM 1020 O LEU A 66 -6.159 -19.506 -6.624 1.00 0.00 O ATOM 1021 CB LEU A 66 -4.571 -17.908 -8.519 1.00 0.00 C ATOM 1022 CG LEU A 66 -4.093 -17.809 -9.984 1.00 0.00 C ATOM 1023 CD1 LEU A 66 -2.733 -17.125 -10.090 1.00 0.00 C ATOM 1024 CD2 LEU A 66 -4.076 -19.183 -10.645 1.00 0.00 C ATOM 0 H LEU A 66 -5.904 -15.923 -8.687 1.00 0.00 H new ATOM 0 HA LEU A 66 -6.483 -18.719 -9.156 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.215 -17.045 -7.956 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -4.143 -18.794 -8.050 1.00 0.00 H new ATOM 0 HG LEU A 66 -4.808 -17.186 -10.521 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -2.432 -17.075 -11.136 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -2.800 -16.116 -9.683 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -1.994 -17.695 -9.527 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.736 -19.087 -11.676 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -3.399 -19.841 -10.100 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -5.081 -19.605 -10.632 1.00 0.00 H new ATOM 1036 N SER A 67 -7.605 -17.788 -6.487 1.00 0.00 N ATOM 1037 CA SER A 67 -8.108 -18.079 -5.149 1.00 0.00 C ATOM 1038 C SER A 67 -8.880 -19.389 -4.991 1.00 0.00 C ATOM 1039 O SER A 67 -8.966 -19.838 -3.849 1.00 0.00 O ATOM 1040 CB SER A 67 -8.980 -16.917 -4.653 1.00 0.00 C ATOM 1041 OG SER A 67 -8.157 -15.873 -4.162 1.00 0.00 O ATOM 0 H SER A 67 -8.067 -16.990 -6.922 1.00 0.00 H new ATOM 0 HA SER A 67 -7.210 -18.202 -4.544 1.00 0.00 H new ATOM 0 HB2 SER A 67 -9.605 -16.547 -5.466 1.00 0.00 H new ATOM 0 HB3 SER A 67 -9.651 -17.264 -3.867 1.00 0.00 H new ATOM 0 HG SER A 67 -8.719 -15.134 -3.849 1.00 0.00 H new ATOM 1047 N THR A 68 -9.381 -20.004 -6.074 1.00 0.00 N ATOM 1048 CA THR A 68 -9.981 -21.340 -6.088 1.00 0.00 C ATOM 1049 C THR A 68 -10.926 -21.578 -4.882 1.00 0.00 C ATOM 1050 O THR A 68 -11.645 -20.673 -4.442 1.00 0.00 O ATOM 1051 CB THR A 68 -8.841 -22.372 -6.297 1.00 0.00 C ATOM 1052 OG1 THR A 68 -9.314 -23.698 -6.451 1.00 0.00 O ATOM 1053 CG2 THR A 68 -7.842 -22.423 -5.137 1.00 0.00 C ATOM 0 H THR A 68 -9.377 -19.566 -6.995 1.00 0.00 H new ATOM 0 HA THR A 68 -10.668 -21.460 -6.926 1.00 0.00 H new ATOM 0 HB THR A 68 -8.357 -22.018 -7.207 1.00 0.00 H new ATOM 0 HG1 THR A 68 -10.234 -23.680 -6.787 1.00 0.00 H new ATOM 0 HG21 THR A 68 -7.073 -23.165 -5.351 1.00 0.00 H new ATOM 0 HG22 THR A 68 -7.377 -21.445 -5.014 1.00 0.00 H new ATOM 0 HG23 THR A 68 -8.364 -22.695 -4.219 1.00 0.00 H new ATOM 1061 N ASN A 69 -11.005 -22.822 -4.399 1.00 0.00 N ATOM 1062 CA ASN A 69 -11.604 -23.202 -3.126 1.00 0.00 C ATOM 1063 C ASN A 69 -10.556 -23.131 -2.009 1.00 0.00 C ATOM 1064 O ASN A 69 -10.679 -22.277 -1.131 1.00 0.00 O ATOM 1065 CB ASN A 69 -12.243 -24.593 -3.233 1.00 0.00 C ATOM 1066 CG ASN A 69 -12.797 -25.111 -1.909 1.00 0.00 C ATOM 1067 OD1 ASN A 69 -13.051 -24.383 -0.956 1.00 0.00 O ATOM 1068 ND2 ASN A 69 -12.946 -26.419 -1.811 1.00 0.00 N ATOM 0 H ASN A 69 -10.635 -23.623 -4.911 1.00 0.00 H new ATOM 0 HA ASN A 69 -12.399 -22.500 -2.874 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -13.049 -24.559 -3.966 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -11.500 -25.298 -3.608 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -13.275 -26.831 -0.938 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -12.732 -27.018 -2.609 1.00 0.00 H new ATOM 1075 N HIS A 70 -9.564 -24.034 -2.017 1.00 0.00 N ATOM 1076 CA HIS A 70 -8.630 -24.157 -0.898 1.00 0.00 C ATOM 1077 C HIS A 70 -7.689 -22.948 -0.803 1.00 0.00 C ATOM 1078 O HIS A 70 -7.428 -22.266 -1.797 1.00 0.00 O ATOM 1079 CB HIS A 70 -7.847 -25.485 -0.957 1.00 0.00 C ATOM 1080 CG HIS A 70 -6.528 -25.401 -1.678 1.00 0.00 C ATOM 1081 ND1 HIS A 70 -5.282 -25.639 -1.144 1.00 0.00 N ATOM 1082 CD2 HIS A 70 -6.353 -24.925 -2.942 1.00 0.00 C ATOM 1083 CE1 HIS A 70 -4.375 -25.299 -2.074 1.00 0.00 C ATOM 1084 NE2 HIS A 70 -4.981 -24.849 -3.185 1.00 0.00 N ATOM 0 H HIS A 70 -9.392 -24.685 -2.783 1.00 0.00 H new ATOM 0 HA HIS A 70 -9.224 -24.170 0.016 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -7.669 -25.833 0.061 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -8.467 -26.236 -1.446 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -7.137 -24.654 -3.634 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -3.305 -25.377 -1.946 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -4.528 -24.518 -4.037 1.00 0.00 H new ATOM 1092 N GLY A 71 -7.103 -22.755 0.379 1.00 0.00 N ATOM 1093 CA GLY A 71 -6.279 -21.601 0.686 1.00 0.00 C ATOM 1094 C GLY A 71 -7.178 -20.416 1.024 1.00 0.00 C ATOM 1095 O GLY A 71 -8.126 -20.111 0.293 1.00 0.00 O ATOM 0 H GLY A 71 -7.193 -23.409 1.156 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -5.620 -21.823 1.525 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -5.642 -21.358 -0.164 1.00 0.00 H new ATOM 1099 N HIS A 72 -6.889 -19.719 2.125 1.00 0.00 N ATOM 1100 CA HIS A 72 -7.550 -18.446 2.403 1.00 0.00 C ATOM 1101 C HIS A 72 -7.287 -17.450 1.273 1.00 0.00 C ATOM 1102 O HIS A 72 -6.346 -17.635 0.500 1.00 0.00 O ATOM 1103 CB HIS A 72 -7.080 -17.847 3.717 1.00 0.00 C ATOM 1104 CG HIS A 72 -7.417 -18.659 4.927 1.00 0.00 C ATOM 1105 ND1 HIS A 72 -8.585 -18.631 5.652 1.00 0.00 N ATOM 1106 CD2 HIS A 72 -6.534 -19.462 5.575 1.00 0.00 C ATOM 1107 CE1 HIS A 72 -8.386 -19.377 6.753 1.00 0.00 C ATOM 1108 NE2 HIS A 72 -7.134 -19.879 6.765 1.00 0.00 N ATOM 0 H HIS A 72 -6.211 -20.011 2.829 1.00 0.00 H new ATOM 0 HA HIS A 72 -8.619 -18.646 2.476 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -5.999 -17.714 3.674 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -7.519 -16.856 3.827 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -5.546 -19.730 5.232 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -9.126 -19.550 7.521 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -6.710 -20.449 7.497 1.00 0.00 H new ATOM 1116 N LYS A 73 -8.085 -16.380 1.202 1.00 0.00 N ATOM 1117 CA LYS A 73 -7.978 -15.278 0.245 1.00 0.00 C ATOM 1118 C LYS A 73 -6.550 -14.730 0.172 1.00 0.00 C ATOM 1119 O LYS A 73 -6.114 -13.913 0.989 1.00 0.00 O ATOM 1120 CB LYS A 73 -9.060 -14.233 0.557 1.00 0.00 C ATOM 1121 CG LYS A 73 -8.935 -12.911 -0.212 1.00 0.00 C ATOM 1122 CD LYS A 73 -10.259 -12.129 -0.283 1.00 0.00 C ATOM 1123 CE LYS A 73 -10.727 -11.383 0.978 1.00 0.00 C ATOM 1124 NZ LYS A 73 -11.415 -12.247 1.962 1.00 0.00 N ATOM 0 H LYS A 73 -8.865 -16.254 1.847 1.00 0.00 H new ATOM 0 HA LYS A 73 -8.172 -15.634 -0.767 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -10.036 -14.669 0.342 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -9.036 -14.017 1.625 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -8.178 -12.290 0.266 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -8.586 -13.117 -1.224 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -10.173 -11.400 -1.089 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -11.045 -12.829 -0.568 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -9.864 -10.920 1.456 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -11.399 -10.577 0.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -11.834 -11.657 2.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -12.165 -12.787 1.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -10.730 -12.905 2.385 1.00 0.00 H new ATOM 1138 N VAL A 74 -5.825 -15.230 -0.819 1.00 0.00 N ATOM 1139 CA VAL A 74 -4.558 -14.705 -1.289 1.00 0.00 C ATOM 1140 C VAL A 74 -4.822 -13.326 -1.873 1.00 0.00 C ATOM 1141 O VAL A 74 -5.890 -13.087 -2.440 1.00 0.00 O ATOM 1142 CB VAL A 74 -3.973 -15.686 -2.329 1.00 0.00 C ATOM 1143 CG1 VAL A 74 -2.631 -15.209 -2.902 1.00 0.00 C ATOM 1144 CG2 VAL A 74 -3.790 -17.079 -1.709 1.00 0.00 C ATOM 0 H VAL A 74 -6.123 -16.054 -1.341 1.00 0.00 H new ATOM 0 HA VAL A 74 -3.826 -14.606 -0.487 1.00 0.00 H new ATOM 0 HB VAL A 74 -4.689 -15.731 -3.149 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -2.266 -15.936 -3.627 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -2.767 -14.245 -3.392 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.906 -15.107 -2.094 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -3.377 -17.758 -2.455 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -3.108 -17.013 -0.861 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -4.755 -17.456 -1.370 1.00 0.00 H new ATOM 1154 N VAL A 75 -3.826 -12.448 -1.793 1.00 0.00 N ATOM 1155 CA VAL A 75 -3.712 -11.277 -2.637 1.00 0.00 C ATOM 1156 C VAL A 75 -2.269 -11.153 -3.113 1.00 0.00 C ATOM 1157 O VAL A 75 -1.403 -11.961 -2.756 1.00 0.00 O ATOM 1158 CB VAL A 75 -4.219 -9.999 -1.944 1.00 0.00 C ATOM 1159 CG1 VAL A 75 -5.710 -10.072 -1.622 1.00 0.00 C ATOM 1160 CG2 VAL A 75 -3.421 -9.638 -0.688 1.00 0.00 C ATOM 0 H VAL A 75 -3.062 -12.539 -1.123 1.00 0.00 H new ATOM 0 HA VAL A 75 -4.360 -11.401 -3.505 1.00 0.00 H new ATOM 0 HB VAL A 75 -4.062 -9.199 -2.668 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -6.022 -9.149 -1.134 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -6.275 -10.204 -2.544 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.898 -10.915 -0.957 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -3.828 -8.728 -0.247 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -3.489 -10.453 0.033 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -2.377 -9.476 -0.955 1.00 0.00 H new ATOM 1170 N GLU A 76 -2.004 -10.138 -3.929 1.00 0.00 N ATOM 1171 CA GLU A 76 -0.664 -9.835 -4.402 1.00 0.00 C ATOM 1172 C GLU A 76 -0.476 -8.329 -4.294 1.00 0.00 C ATOM 1173 O GLU A 76 -1.461 -7.600 -4.426 1.00 0.00 O ATOM 1174 CB GLU A 76 -0.491 -10.311 -5.851 1.00 0.00 C ATOM 1175 CG GLU A 76 -0.625 -11.836 -5.990 1.00 0.00 C ATOM 1176 CD GLU A 76 -0.489 -12.338 -7.429 1.00 0.00 C ATOM 1177 OE1 GLU A 76 -0.922 -11.647 -8.385 1.00 0.00 O ATOM 1178 OE2 GLU A 76 0.054 -13.454 -7.609 1.00 0.00 O ATOM 0 H GLU A 76 -2.719 -9.501 -4.281 1.00 0.00 H new ATOM 0 HA GLU A 76 0.087 -10.351 -3.803 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -1.236 -9.825 -6.481 1.00 0.00 H new ATOM 0 HB3 GLU A 76 0.487 -10.001 -6.218 1.00 0.00 H new ATOM 0 HG2 GLU A 76 0.135 -12.316 -5.374 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -1.594 -12.144 -5.598 1.00 0.00 H new ATOM 1185 N LEU A 77 0.765 -7.881 -4.074 1.00 0.00 N ATOM 1186 CA LEU A 77 1.134 -6.482 -4.273 1.00 0.00 C ATOM 1187 C LEU A 77 1.064 -6.216 -5.771 1.00 0.00 C ATOM 1188 O LEU A 77 1.642 -6.982 -6.550 1.00 0.00 O ATOM 1189 CB LEU A 77 2.566 -6.167 -3.794 1.00 0.00 C ATOM 1190 CG LEU A 77 2.780 -6.140 -2.274 1.00 0.00 C ATOM 1191 CD1 LEU A 77 4.273 -5.982 -1.949 1.00 0.00 C ATOM 1192 CD2 LEU A 77 2.038 -4.966 -1.644 1.00 0.00 C ATOM 0 H LEU A 77 1.532 -8.474 -3.756 1.00 0.00 H new ATOM 0 HA LEU A 77 0.454 -5.857 -3.694 1.00 0.00 H new ATOM 0 HB2 LEU A 77 3.242 -6.907 -4.222 1.00 0.00 H new ATOM 0 HB3 LEU A 77 2.858 -5.198 -4.199 1.00 0.00 H new ATOM 0 HG LEU A 77 2.400 -7.079 -1.873 1.00 0.00 H new ATOM 0 HD11 LEU A 77 4.410 -5.964 -0.868 1.00 0.00 H new ATOM 0 HD12 LEU A 77 4.828 -6.820 -2.372 1.00 0.00 H new ATOM 0 HD13 LEU A 77 4.642 -5.050 -2.377 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.204 -4.967 -0.567 1.00 0.00 H new ATOM 0 HD22 LEU A 77 2.408 -4.032 -2.067 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.971 -5.059 -1.847 1.00 0.00 H new ATOM 1204 N VAL A 78 0.391 -5.135 -6.135 1.00 0.00 N ATOM 1205 CA VAL A 78 0.338 -4.517 -7.456 1.00 0.00 C ATOM 1206 C VAL A 78 0.455 -3.014 -7.161 1.00 0.00 C ATOM 1207 O VAL A 78 0.252 -2.608 -6.012 1.00 0.00 O ATOM 1208 CB VAL A 78 -0.975 -4.895 -8.195 1.00 0.00 C ATOM 1209 CG1 VAL A 78 -0.840 -5.079 -9.709 1.00 0.00 C ATOM 1210 CG2 VAL A 78 -1.580 -6.215 -7.737 1.00 0.00 C ATOM 0 H VAL A 78 -0.179 -4.624 -5.461 1.00 0.00 H new ATOM 0 HA VAL A 78 1.129 -4.853 -8.127 1.00 0.00 H new ATOM 0 HB VAL A 78 -1.596 -4.034 -7.949 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.810 -5.341 -10.132 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -0.487 -4.151 -10.158 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -0.127 -5.877 -9.916 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -2.494 -6.411 -8.298 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -0.868 -7.021 -7.911 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -1.812 -6.159 -6.674 1.00 0.00 H new ATOM 1220 N ALA A 79 0.816 -2.175 -8.127 1.00 0.00 N ATOM 1221 CA ALA A 79 0.892 -0.737 -7.914 1.00 0.00 C ATOM 1222 C ALA A 79 0.629 -0.055 -9.248 1.00 0.00 C ATOM 1223 O ALA A 79 1.176 -0.469 -10.276 1.00 0.00 O ATOM 1224 CB ALA A 79 2.240 -0.343 -7.292 1.00 0.00 C ATOM 0 H ALA A 79 1.062 -2.471 -9.072 1.00 0.00 H new ATOM 0 HA ALA A 79 0.137 -0.410 -7.199 1.00 0.00 H new ATOM 0 HB1 ALA A 79 2.271 0.736 -7.143 1.00 0.00 H new ATOM 0 HB2 ALA A 79 2.358 -0.845 -6.332 1.00 0.00 H new ATOM 0 HB3 ALA A 79 3.049 -0.640 -7.959 1.00 0.00 H new ATOM 1230 N GLU A 80 -0.220 0.972 -9.247 1.00 0.00 N ATOM 1231 CA GLU A 80 -0.775 1.555 -10.458 1.00 0.00 C ATOM 1232 C GLU A 80 -0.957 3.067 -10.259 1.00 0.00 C ATOM 1233 O GLU A 80 -1.799 3.463 -9.455 1.00 0.00 O ATOM 1234 CB GLU A 80 -2.147 0.922 -10.735 1.00 0.00 C ATOM 1235 CG GLU A 80 -2.150 -0.339 -11.596 1.00 0.00 C ATOM 1236 CD GLU A 80 -1.444 -1.568 -11.040 1.00 0.00 C ATOM 1237 OE1 GLU A 80 -1.719 -1.954 -9.887 1.00 0.00 O ATOM 1238 OE2 GLU A 80 -0.772 -2.212 -11.884 1.00 0.00 O ATOM 0 H GLU A 80 -0.543 1.425 -8.392 1.00 0.00 H new ATOM 0 HA GLU A 80 -0.101 1.372 -11.295 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -2.613 0.684 -9.779 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -2.776 1.668 -11.220 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -3.187 -0.608 -11.796 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -1.694 -0.093 -12.555 1.00 0.00 H new ATOM 1245 N MET A 81 -0.219 3.912 -10.992 1.00 0.00 N ATOM 1246 CA MET A 81 -0.153 5.355 -10.721 1.00 0.00 C ATOM 1247 C MET A 81 -1.488 6.106 -10.832 1.00 0.00 C ATOM 1248 O MET A 81 -1.628 7.187 -10.272 1.00 0.00 O ATOM 1249 CB MET A 81 0.916 6.034 -11.594 1.00 0.00 C ATOM 1250 CG MET A 81 0.438 6.381 -13.009 1.00 0.00 C ATOM 1251 SD MET A 81 1.698 6.982 -14.164 1.00 0.00 S ATOM 1252 CE MET A 81 2.613 8.209 -13.187 1.00 0.00 C ATOM 0 H MET A 81 0.347 3.616 -11.787 1.00 0.00 H new ATOM 0 HA MET A 81 0.127 5.421 -9.670 1.00 0.00 H new ATOM 0 HB2 MET A 81 1.248 6.947 -11.100 1.00 0.00 H new ATOM 0 HB3 MET A 81 1.783 5.377 -11.665 1.00 0.00 H new ATOM 0 HG2 MET A 81 -0.024 5.493 -13.440 1.00 0.00 H new ATOM 0 HG3 MET A 81 -0.341 7.139 -12.929 1.00 0.00 H new ATOM 0 HE1 MET A 81 3.373 8.678 -13.812 1.00 0.00 H new ATOM 0 HE2 MET A 81 1.924 8.970 -12.821 1.00 0.00 H new ATOM 0 HE3 MET A 81 3.092 7.716 -12.341 1.00 0.00 H new ATOM 1262 N ASP A 82 -2.440 5.594 -11.609 1.00 0.00 N ATOM 1263 CA ASP A 82 -3.762 6.213 -11.816 1.00 0.00 C ATOM 1264 C ASP A 82 -4.846 5.162 -11.531 1.00 0.00 C ATOM 1265 O ASP A 82 -5.932 5.161 -12.102 1.00 0.00 O ATOM 1266 CB ASP A 82 -3.850 6.771 -13.246 1.00 0.00 C ATOM 1267 CG ASP A 82 -5.008 7.750 -13.488 1.00 0.00 C ATOM 1268 OD1 ASP A 82 -5.891 7.958 -12.627 1.00 0.00 O ATOM 1269 OD2 ASP A 82 -4.970 8.391 -14.569 1.00 0.00 O ATOM 0 H ASP A 82 -2.319 4.722 -12.125 1.00 0.00 H new ATOM 0 HA ASP A 82 -3.913 7.050 -11.134 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -2.913 7.274 -13.482 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -3.948 5.937 -13.941 1.00 0.00 H new ATOM 1274 N GLY A 83 -4.482 4.139 -10.747 1.00 0.00 N ATOM 1275 CA GLY A 83 -5.228 2.896 -10.612 1.00 0.00 C ATOM 1276 C GLY A 83 -5.586 2.236 -11.951 1.00 0.00 C ATOM 1277 O GLY A 83 -6.587 1.525 -12.034 1.00 0.00 O ATOM 0 H GLY A 83 -3.637 4.161 -10.177 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -4.642 2.195 -10.018 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -6.146 3.093 -10.058 1.00 0.00 H new ATOM 1281 N ILE A 84 -4.752 2.495 -12.966 1.00 0.00 N ATOM 1282 CA ILE A 84 -4.832 2.162 -14.385 1.00 0.00 C ATOM 1283 C ILE A 84 -5.687 0.922 -14.646 1.00 0.00 C ATOM 1284 O ILE A 84 -6.769 1.025 -15.233 1.00 0.00 O ATOM 1285 CB ILE A 84 -3.379 2.011 -14.926 1.00 0.00 C ATOM 1286 CG1 ILE A 84 -2.678 3.388 -14.977 1.00 0.00 C ATOM 1287 CG2 ILE A 84 -3.322 1.322 -16.304 1.00 0.00 C ATOM 1288 CD1 ILE A 84 -1.152 3.302 -15.120 1.00 0.00 C ATOM 0 H ILE A 84 -3.893 3.012 -12.780 1.00 0.00 H new ATOM 0 HA ILE A 84 -5.338 2.965 -14.921 1.00 0.00 H new ATOM 0 HB ILE A 84 -2.848 1.362 -14.230 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -3.080 3.959 -15.814 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -2.918 3.941 -14.069 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -2.285 1.245 -16.630 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -3.754 0.324 -16.230 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -3.887 1.909 -17.028 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -0.732 4.307 -15.149 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -0.737 2.759 -14.271 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -0.902 2.778 -16.042 1.00 0.00 H new ATOM 1300 N GLN A 85 -5.169 -0.229 -14.255 1.00 0.00 N ATOM 1301 CA GLN A 85 -5.780 -1.534 -14.374 1.00 0.00 C ATOM 1302 C GLN A 85 -6.030 -1.966 -12.935 1.00 0.00 C ATOM 1303 O GLN A 85 -5.493 -1.357 -12.006 1.00 0.00 O ATOM 1304 CB GLN A 85 -4.793 -2.474 -15.104 1.00 0.00 C ATOM 1305 CG GLN A 85 -5.409 -3.738 -15.718 1.00 0.00 C ATOM 1306 CD GLN A 85 -6.267 -3.394 -16.929 1.00 0.00 C ATOM 1307 OE1 GLN A 85 -7.443 -3.071 -16.791 1.00 0.00 O ATOM 1308 NE2 GLN A 85 -5.700 -3.400 -18.124 1.00 0.00 N ATOM 0 H GLN A 85 -4.249 -0.276 -13.817 1.00 0.00 H new ATOM 0 HA GLN A 85 -6.707 -1.545 -14.948 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -4.301 -1.910 -15.897 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -4.018 -2.775 -14.399 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -4.617 -4.427 -16.013 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -6.016 -4.251 -14.972 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -4.722 -3.671 -18.223 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -6.241 -3.134 -18.947 1.00 0.00 H new ATOM 1317 N TYR A 86 -6.802 -3.029 -12.742 1.00 0.00 N ATOM 1318 CA TYR A 86 -7.114 -3.626 -11.442 1.00 0.00 C ATOM 1319 C TYR A 86 -8.080 -2.744 -10.641 1.00 0.00 C ATOM 1320 O TYR A 86 -9.090 -3.276 -10.176 1.00 0.00 O ATOM 1321 CB TYR A 86 -5.829 -3.971 -10.646 1.00 0.00 C ATOM 1322 CG TYR A 86 -4.780 -4.713 -11.449 1.00 0.00 C ATOM 1323 CD1 TYR A 86 -4.974 -6.069 -11.757 1.00 0.00 C ATOM 1324 CD2 TYR A 86 -3.632 -4.045 -11.918 1.00 0.00 C ATOM 1325 CE1 TYR A 86 -4.058 -6.745 -12.578 1.00 0.00 C ATOM 1326 CE2 TYR A 86 -2.711 -4.724 -12.733 1.00 0.00 C ATOM 1327 CZ TYR A 86 -2.932 -6.067 -13.087 1.00 0.00 C ATOM 1328 OH TYR A 86 -2.062 -6.724 -13.902 1.00 0.00 O ATOM 0 H TYR A 86 -7.248 -3.521 -13.516 1.00 0.00 H new ATOM 0 HA TYR A 86 -7.626 -4.571 -11.626 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -5.393 -3.048 -10.265 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -6.102 -4.575 -9.781 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -5.831 -6.594 -11.361 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -3.460 -3.013 -11.651 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -4.216 -7.786 -12.820 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -1.829 -4.212 -13.089 1.00 0.00 H new ATOM 0 HH TYR A 86 -1.340 -6.116 -14.168 1.00 0.00 H new ATOM 1338 N GLY A 87 -7.809 -1.432 -10.521 1.00 0.00 N ATOM 1339 CA GLY A 87 -8.494 -0.462 -9.681 1.00 0.00 C ATOM 1340 C GLY A 87 -10.002 -0.602 -9.768 1.00 0.00 C ATOM 1341 O GLY A 87 -10.545 -0.927 -10.833 1.00 0.00 O ATOM 0 H GLY A 87 -7.050 -1.002 -11.050 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -8.177 -0.590 -8.646 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -8.205 0.545 -9.981 1.00 0.00 H new ATOM 1345 N ARG A 88 -10.683 -0.319 -8.657 1.00 0.00 N ATOM 1346 CA ARG A 88 -12.088 -0.661 -8.500 1.00 0.00 C ATOM 1347 C ARG A 88 -12.215 -2.178 -8.684 1.00 0.00 C ATOM 1348 O ARG A 88 -11.458 -2.923 -8.056 1.00 0.00 O ATOM 1349 CB ARG A 88 -12.964 0.276 -9.358 1.00 0.00 C ATOM 1350 CG ARG A 88 -14.339 0.554 -8.731 1.00 0.00 C ATOM 1351 CD ARG A 88 -14.891 1.905 -9.207 1.00 0.00 C ATOM 1352 NE ARG A 88 -15.639 1.783 -10.453 1.00 0.00 N ATOM 1353 CZ ARG A 88 -16.172 2.771 -11.172 1.00 0.00 C ATOM 1354 NH1 ARG A 88 -15.993 4.059 -10.869 1.00 0.00 N ATOM 1355 NH2 ARG A 88 -16.915 2.415 -12.206 1.00 0.00 N ATOM 0 H ARG A 88 -10.275 0.151 -7.848 1.00 0.00 H new ATOM 0 HA ARG A 88 -12.489 -0.474 -7.504 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -12.440 1.221 -9.505 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -13.103 -0.168 -10.344 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -15.034 -0.242 -8.998 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -14.255 0.553 -7.644 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -15.538 2.324 -8.436 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -14.067 2.604 -9.346 1.00 0.00 H new ATOM 0 HE ARG A 88 -15.769 0.838 -10.814 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -15.430 4.319 -10.059 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -16.420 4.783 -11.447 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -17.055 1.427 -12.417 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -17.348 3.128 -12.792 1.00 0.00 H new ATOM 1369 N SER A 89 -13.176 -2.655 -9.474 1.00 0.00 N ATOM 1370 CA SER A 89 -13.411 -4.080 -9.707 1.00 0.00 C ATOM 1371 C SER A 89 -13.872 -4.761 -8.413 1.00 0.00 C ATOM 1372 O SER A 89 -14.193 -4.095 -7.424 1.00 0.00 O ATOM 1373 CB SER A 89 -12.176 -4.766 -10.353 1.00 0.00 C ATOM 1374 OG SER A 89 -11.509 -3.896 -11.261 1.00 0.00 O ATOM 0 H SER A 89 -13.825 -2.051 -9.979 1.00 0.00 H new ATOM 0 HA SER A 89 -14.218 -4.189 -10.431 1.00 0.00 H new ATOM 0 HB2 SER A 89 -11.483 -5.079 -9.572 1.00 0.00 H new ATOM 0 HB3 SER A 89 -12.493 -5.667 -10.878 1.00 0.00 H new ATOM 0 HG SER A 89 -10.587 -3.754 -10.961 1.00 0.00 H new ATOM 1380 N GLY A 90 -13.989 -6.088 -8.436 1.00 0.00 N ATOM 1381 CA GLY A 90 -14.151 -6.911 -7.243 1.00 0.00 C ATOM 1382 C GLY A 90 -12.868 -7.653 -6.893 1.00 0.00 C ATOM 1383 O GLY A 90 -12.736 -8.144 -5.771 1.00 0.00 O ATOM 0 H GLY A 90 -13.973 -6.629 -9.301 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -14.448 -6.282 -6.404 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -14.955 -7.629 -7.403 1.00 0.00 H new ATOM 1387 N ILE A 91 -11.913 -7.723 -7.829 1.00 0.00 N ATOM 1388 CA ILE A 91 -10.643 -8.396 -7.614 1.00 0.00 C ATOM 1389 C ILE A 91 -9.861 -7.746 -6.469 1.00 0.00 C ATOM 1390 O ILE A 91 -9.131 -8.441 -5.758 1.00 0.00 O ATOM 1391 CB ILE A 91 -9.850 -8.458 -8.944 1.00 0.00 C ATOM 1392 CG1 ILE A 91 -8.861 -9.622 -8.889 1.00 0.00 C ATOM 1393 CG2 ILE A 91 -9.118 -7.156 -9.322 1.00 0.00 C ATOM 1394 CD1 ILE A 91 -8.079 -9.903 -10.177 1.00 0.00 C ATOM 0 H ILE A 91 -12.008 -7.310 -8.757 1.00 0.00 H new ATOM 0 HA ILE A 91 -10.823 -9.424 -7.300 1.00 0.00 H new ATOM 0 HB ILE A 91 -10.590 -8.608 -9.730 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -8.146 -9.428 -8.089 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -9.408 -10.524 -8.616 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -8.592 -7.295 -10.266 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -9.843 -6.348 -9.426 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -8.401 -6.902 -8.541 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -7.410 -10.749 -10.019 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -8.776 -10.137 -10.982 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -7.495 -9.023 -10.447 1.00 0.00 H new ATOM 1406 N THR A 92 -10.012 -6.437 -6.276 1.00 0.00 N ATOM 1407 CA THR A 92 -9.166 -5.687 -5.372 1.00 0.00 C ATOM 1408 C THR A 92 -9.853 -5.522 -4.013 1.00 0.00 C ATOM 1409 O THR A 92 -11.083 -5.425 -3.915 1.00 0.00 O ATOM 1410 CB THR A 92 -8.761 -4.358 -6.024 1.00 0.00 C ATOM 1411 OG1 THR A 92 -8.414 -4.615 -7.370 1.00 0.00 O ATOM 1412 CG2 THR A 92 -7.532 -3.777 -5.319 1.00 0.00 C ATOM 0 H THR A 92 -10.724 -5.875 -6.744 1.00 0.00 H new ATOM 0 HA THR A 92 -8.243 -6.234 -5.178 1.00 0.00 H new ATOM 0 HB THR A 92 -9.589 -3.652 -5.953 1.00 0.00 H new ATOM 0 HG1 THR A 92 -8.856 -3.962 -7.952 1.00 0.00 H new ATOM 0 HG21 THR A 92 -7.254 -2.834 -5.790 1.00 0.00 H new ATOM 0 HG22 THR A 92 -7.764 -3.603 -4.268 1.00 0.00 H new ATOM 0 HG23 THR A 92 -6.702 -4.480 -5.396 1.00 0.00 H new ATOM 1420 N LEU A 93 -9.047 -5.506 -2.944 1.00 0.00 N ATOM 1421 CA LEU A 93 -9.522 -5.399 -1.572 1.00 0.00 C ATOM 1422 C LEU A 93 -9.242 -4.011 -1.005 1.00 0.00 C ATOM 1423 O LEU A 93 -10.084 -3.490 -0.276 1.00 0.00 O ATOM 1424 CB LEU A 93 -8.951 -6.493 -0.661 1.00 0.00 C ATOM 1425 CG LEU A 93 -8.866 -7.911 -1.261 1.00 0.00 C ATOM 1426 CD1 LEU A 93 -8.401 -8.842 -0.141 1.00 0.00 C ATOM 1427 CD2 LEU A 93 -10.163 -8.469 -1.864 1.00 0.00 C ATOM 0 H LEU A 93 -8.032 -5.568 -3.017 1.00 0.00 H new ATOM 0 HA LEU A 93 -10.601 -5.550 -1.600 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -7.950 -6.192 -0.352 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -9.562 -6.540 0.241 1.00 0.00 H new ATOM 0 HG LEU A 93 -8.177 -7.850 -2.104 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -8.326 -9.861 -0.522 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -7.425 -8.517 0.220 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -9.119 -8.813 0.678 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -9.981 -9.470 -2.254 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -10.933 -8.514 -1.093 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -10.497 -7.819 -2.673 1.00 0.00 H new ATOM 1439 N GLY A 94 -8.111 -3.379 -1.326 1.00 0.00 N ATOM 1440 CA GLY A 94 -7.815 -2.026 -0.871 1.00 0.00 C ATOM 1441 C GLY A 94 -6.468 -1.578 -1.414 1.00 0.00 C ATOM 1442 O GLY A 94 -5.883 -2.259 -2.262 1.00 0.00 O ATOM 0 H GLY A 94 -7.380 -3.791 -1.906 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -8.596 -1.343 -1.204 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -7.806 -1.994 0.218 1.00 0.00 H new ATOM 1446 N VAL A 95 -5.992 -0.444 -0.910 1.00 0.00 N ATOM 1447 CA VAL A 95 -4.669 0.103 -1.169 1.00 0.00 C ATOM 1448 C VAL A 95 -3.905 0.093 0.154 1.00 0.00 C ATOM 1449 O VAL A 95 -4.440 0.503 1.189 1.00 0.00 O ATOM 1450 CB VAL A 95 -4.796 1.529 -1.754 1.00 0.00 C ATOM 1451 CG1 VAL A 95 -3.436 2.197 -1.957 1.00 0.00 C ATOM 1452 CG2 VAL A 95 -5.515 1.624 -3.093 1.00 0.00 C ATOM 0 H VAL A 95 -6.543 0.142 -0.283 1.00 0.00 H new ATOM 0 HA VAL A 95 -4.127 -0.492 -1.904 1.00 0.00 H new ATOM 0 HB VAL A 95 -5.394 2.035 -0.996 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -3.579 3.196 -2.369 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -2.920 2.270 -1.000 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -2.838 1.602 -2.647 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -5.550 2.665 -3.414 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -4.980 1.033 -3.836 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -6.531 1.242 -2.988 1.00 0.00 H new ATOM 1462 N LEU A 96 -2.663 -0.386 0.125 1.00 0.00 N ATOM 1463 CA LEU A 96 -1.730 -0.337 1.228 1.00 0.00 C ATOM 1464 C LEU A 96 -1.110 1.048 1.310 1.00 0.00 C ATOM 1465 O LEU A 96 -0.827 1.697 0.301 1.00 0.00 O ATOM 1466 CB LEU A 96 -0.620 -1.366 0.976 1.00 0.00 C ATOM 1467 CG LEU A 96 -0.886 -2.776 1.524 1.00 0.00 C ATOM 1468 CD1 LEU A 96 -2.353 -3.187 1.678 1.00 0.00 C ATOM 1469 CD2 LEU A 96 -0.145 -3.812 0.686 1.00 0.00 C ATOM 0 H LEU A 96 -2.272 -0.835 -0.704 1.00 0.00 H new ATOM 0 HA LEU A 96 -2.249 -0.558 2.161 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -0.454 -1.439 -0.099 1.00 0.00 H new ATOM 0 HB3 LEU A 96 0.304 -0.992 1.417 1.00 0.00 H new ATOM 0 HG LEU A 96 -0.507 -2.738 2.545 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -2.407 -4.202 2.073 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -2.852 -2.503 2.365 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -2.845 -3.149 0.706 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -0.340 -4.808 1.083 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -0.490 -3.759 -0.347 1.00 0.00 H new ATOM 0 HD23 LEU A 96 0.926 -3.611 0.722 1.00 0.00 H new ATOM 1481 N VAL A 97 -0.843 1.456 2.536 1.00 0.00 N ATOM 1482 CA VAL A 97 -0.252 2.724 2.934 1.00 0.00 C ATOM 1483 C VAL A 97 0.695 2.436 4.094 1.00 0.00 C ATOM 1484 O VAL A 97 0.623 1.348 4.673 1.00 0.00 O ATOM 1485 CB VAL A 97 -1.368 3.700 3.359 1.00 0.00 C ATOM 1486 CG1 VAL A 97 -2.060 4.273 2.114 1.00 0.00 C ATOM 1487 CG2 VAL A 97 -2.418 3.062 4.297 1.00 0.00 C ATOM 0 H VAL A 97 -1.048 0.866 3.342 1.00 0.00 H new ATOM 0 HA VAL A 97 0.296 3.185 2.112 1.00 0.00 H new ATOM 0 HB VAL A 97 -0.887 4.496 3.927 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -2.847 4.962 2.420 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -1.330 4.805 1.504 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -2.495 3.460 1.533 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -3.173 3.804 4.556 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -2.894 2.221 3.792 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.929 2.710 5.205 1.00 0.00 H new ATOM 1497 N PRO A 98 1.597 3.354 4.456 1.00 0.00 N ATOM 1498 CA PRO A 98 2.287 3.244 5.725 1.00 0.00 C ATOM 1499 C PRO A 98 1.269 3.199 6.876 1.00 0.00 C ATOM 1500 O PRO A 98 0.143 3.674 6.736 1.00 0.00 O ATOM 1501 CB PRO A 98 3.215 4.458 5.807 1.00 0.00 C ATOM 1502 CG PRO A 98 3.236 5.050 4.391 1.00 0.00 C ATOM 1503 CD PRO A 98 1.951 4.564 3.739 1.00 0.00 C ATOM 0 HA PRO A 98 2.869 2.326 5.806 1.00 0.00 H new ATOM 0 HB2 PRO A 98 2.848 5.185 6.532 1.00 0.00 H new ATOM 0 HB3 PRO A 98 4.216 4.167 6.126 1.00 0.00 H new ATOM 0 HG2 PRO A 98 3.276 6.139 4.420 1.00 0.00 H new ATOM 0 HG3 PRO A 98 4.112 4.713 3.836 1.00 0.00 H new ATOM 0 HD2 PRO A 98 1.162 5.313 3.816 1.00 0.00 H new ATOM 0 HD3 PRO A 98 2.099 4.364 2.678 1.00 0.00 H new ATOM 1511 N HIS A 99 1.660 2.619 8.009 1.00 0.00 N ATOM 1512 CA HIS A 99 1.079 2.920 9.305 1.00 0.00 C ATOM 1513 C HIS A 99 2.115 3.704 10.100 1.00 0.00 C ATOM 1514 O HIS A 99 3.232 3.214 10.301 1.00 0.00 O ATOM 1515 CB HIS A 99 0.745 1.630 10.063 1.00 0.00 C ATOM 1516 CG HIS A 99 0.245 1.886 11.468 1.00 0.00 C ATOM 1517 ND1 HIS A 99 0.722 1.270 12.603 1.00 0.00 N ATOM 1518 CD2 HIS A 99 -0.637 2.858 11.874 1.00 0.00 C ATOM 1519 CE1 HIS A 99 0.112 1.833 13.659 1.00 0.00 C ATOM 1520 NE2 HIS A 99 -0.742 2.787 13.260 1.00 0.00 N ATOM 0 H HIS A 99 2.400 1.918 8.047 1.00 0.00 H new ATOM 0 HA HIS A 99 0.159 3.490 9.173 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -0.012 1.074 9.509 1.00 0.00 H new ATOM 0 HB3 HIS A 99 1.634 1.000 10.108 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -1.157 3.554 11.232 1.00 0.00 H new ATOM 0 HE1 HIS A 99 0.285 1.555 14.688 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -1.349 3.350 13.855 1.00 0.00 H new ATOM 1528 N VAL A 100 1.733 4.866 10.619 1.00 0.00 N ATOM 1529 CA VAL A 100 2.534 5.647 11.548 1.00 0.00 C ATOM 1530 C VAL A 100 1.659 6.111 12.725 1.00 0.00 C ATOM 1531 O VAL A 100 1.476 7.300 13.003 1.00 0.00 O ATOM 1532 CB VAL A 100 3.371 6.685 10.764 1.00 0.00 C ATOM 1533 CG1 VAL A 100 2.603 7.476 9.698 1.00 0.00 C ATOM 1534 CG2 VAL A 100 4.130 7.650 11.678 1.00 0.00 C ATOM 0 H VAL A 100 0.836 5.299 10.399 1.00 0.00 H new ATOM 0 HA VAL A 100 3.305 5.067 12.055 1.00 0.00 H new ATOM 0 HB VAL A 100 4.087 6.062 10.228 1.00 0.00 H new ATOM 0 HG11 VAL A 100 3.279 8.176 9.207 1.00 0.00 H new ATOM 0 HG12 VAL A 100 2.193 6.788 8.959 1.00 0.00 H new ATOM 0 HG13 VAL A 100 1.790 8.028 10.170 1.00 0.00 H new ATOM 0 HG21 VAL A 100 4.699 8.354 11.071 1.00 0.00 H new ATOM 0 HG22 VAL A 100 3.421 8.197 12.299 1.00 0.00 H new ATOM 0 HG23 VAL A 100 4.812 7.087 12.315 1.00 0.00 H new ATOM 1544 N GLY A 101 1.138 5.125 13.461 1.00 0.00 N ATOM 1545 CA GLY A 101 0.511 5.318 14.763 1.00 0.00 C ATOM 1546 C GLY A 101 -0.846 6.006 14.701 1.00 0.00 C ATOM 1547 O GLY A 101 -1.256 6.639 15.669 1.00 0.00 O ATOM 0 H GLY A 101 1.143 4.151 13.158 1.00 0.00 H new ATOM 0 HA2 GLY A 101 0.393 4.348 15.246 1.00 0.00 H new ATOM 0 HA3 GLY A 101 1.178 5.908 15.392 1.00 0.00 H new ATOM 1551 N GLU A 102 -1.520 5.918 13.563 1.00 0.00 N ATOM 1552 CA GLU A 102 -2.599 6.804 13.144 1.00 0.00 C ATOM 1553 C GLU A 102 -3.977 6.432 13.743 1.00 0.00 C ATOM 1554 O GLU A 102 -4.985 7.068 13.433 1.00 0.00 O ATOM 1555 CB GLU A 102 -2.574 6.816 11.609 1.00 0.00 C ATOM 1556 CG GLU A 102 -1.468 7.773 11.139 1.00 0.00 C ATOM 1557 CD GLU A 102 -0.847 7.403 9.796 1.00 0.00 C ATOM 1558 OE1 GLU A 102 -0.524 6.207 9.621 1.00 0.00 O ATOM 1559 OE2 GLU A 102 -0.582 8.342 9.003 1.00 0.00 O ATOM 0 H GLU A 102 -1.321 5.193 12.874 1.00 0.00 H new ATOM 0 HA GLU A 102 -2.439 7.809 13.533 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -2.392 5.812 11.227 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -3.540 7.135 11.218 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -1.880 8.780 11.071 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -0.682 7.801 11.894 1.00 0.00 H new ATOM 1566 N THR A 103 -4.036 5.385 14.573 1.00 0.00 N ATOM 1567 CA THR A 103 -5.237 4.712 15.077 1.00 0.00 C ATOM 1568 C THR A 103 -6.064 4.119 13.921 1.00 0.00 C ATOM 1569 O THR A 103 -6.748 4.843 13.196 1.00 0.00 O ATOM 1570 CB THR A 103 -6.051 5.616 16.028 1.00 0.00 C ATOM 1571 OG1 THR A 103 -5.584 5.488 17.363 1.00 0.00 O ATOM 1572 CG2 THR A 103 -7.554 5.322 16.088 1.00 0.00 C ATOM 0 H THR A 103 -3.185 4.956 14.936 1.00 0.00 H new ATOM 0 HA THR A 103 -4.923 3.867 15.690 1.00 0.00 H new ATOM 0 HB THR A 103 -5.908 6.613 15.611 1.00 0.00 H new ATOM 0 HG1 THR A 103 -6.110 6.069 17.951 1.00 0.00 H new ATOM 0 HG21 THR A 103 -8.032 6.012 16.784 1.00 0.00 H new ATOM 0 HG22 THR A 103 -7.989 5.447 15.096 1.00 0.00 H new ATOM 0 HG23 THR A 103 -7.711 4.298 16.427 1.00 0.00 H new ATOM 1580 N PRO A 104 -6.037 2.790 13.736 1.00 0.00 N ATOM 1581 CA PRO A 104 -6.990 2.112 12.877 1.00 0.00 C ATOM 1582 C PRO A 104 -8.338 1.936 13.549 1.00 0.00 C ATOM 1583 O PRO A 104 -8.458 1.970 14.777 1.00 0.00 O ATOM 1584 CB PRO A 104 -6.363 0.760 12.586 1.00 0.00 C ATOM 1585 CG PRO A 104 -5.559 0.466 13.851 1.00 0.00 C ATOM 1586 CD PRO A 104 -5.108 1.843 14.328 1.00 0.00 C ATOM 0 HA PRO A 104 -7.184 2.690 11.973 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -7.119 -0.003 12.404 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -5.725 0.794 11.703 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -6.167 -0.038 14.603 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -4.708 -0.183 13.642 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -5.126 1.905 15.416 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -4.085 2.050 14.014 1.00 0.00 H new ATOM 1594 N ILE A 105 -9.328 1.628 12.720 1.00 0.00 N ATOM 1595 CA ILE A 105 -10.668 1.266 13.148 1.00 0.00 C ATOM 1596 C ILE A 105 -10.812 -0.258 13.259 1.00 0.00 C ATOM 1597 O ILE A 105 -11.573 -0.731 14.103 1.00 0.00 O ATOM 1598 CB ILE A 105 -11.710 1.899 12.197 1.00 0.00 C ATOM 1599 CG1 ILE A 105 -11.510 1.521 10.705 1.00 0.00 C ATOM 1600 CG2 ILE A 105 -11.764 3.422 12.447 1.00 0.00 C ATOM 1601 CD1 ILE A 105 -10.707 2.517 9.870 1.00 0.00 C ATOM 0 H ILE A 105 -9.215 1.624 11.706 1.00 0.00 H new ATOM 0 HA ILE A 105 -10.852 1.664 14.146 1.00 0.00 H new ATOM 0 HB ILE A 105 -12.686 1.475 12.431 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -11.013 0.552 10.658 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -12.491 1.398 10.246 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -12.497 3.875 11.779 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -12.050 3.611 13.482 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -10.783 3.857 12.257 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -10.629 2.153 8.845 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -11.210 3.484 9.875 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -9.708 2.625 10.293 1.00 0.00 H new ATOM 1613 N ALA A 106 -10.078 -1.018 12.437 1.00 0.00 N ATOM 1614 CA ALA A 106 -10.228 -2.454 12.228 1.00 0.00 C ATOM 1615 C ALA A 106 -8.890 -3.042 11.768 1.00 0.00 C ATOM 1616 O ALA A 106 -7.924 -2.299 11.612 1.00 0.00 O ATOM 1617 CB ALA A 106 -11.313 -2.676 11.163 1.00 0.00 C ATOM 0 H ALA A 106 -9.326 -0.622 11.873 1.00 0.00 H new ATOM 0 HA ALA A 106 -10.522 -2.950 13.153 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -11.441 -3.745 10.991 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -12.254 -2.248 11.508 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -11.014 -2.192 10.233 1.00 0.00 H new ATOM 1623 N TYR A 107 -8.810 -4.351 11.514 1.00 0.00 N ATOM 1624 CA TYR A 107 -7.661 -4.995 10.867 1.00 0.00 C ATOM 1625 C TYR A 107 -8.146 -5.892 9.725 1.00 0.00 C ATOM 1626 O TYR A 107 -9.309 -6.309 9.673 1.00 0.00 O ATOM 1627 CB TYR A 107 -6.793 -5.795 11.865 1.00 0.00 C ATOM 1628 CG TYR A 107 -5.762 -4.997 12.657 1.00 0.00 C ATOM 1629 CD1 TYR A 107 -6.153 -3.972 13.542 1.00 0.00 C ATOM 1630 CD2 TYR A 107 -4.389 -5.290 12.514 1.00 0.00 C ATOM 1631 CE1 TYR A 107 -5.188 -3.220 14.235 1.00 0.00 C ATOM 1632 CE2 TYR A 107 -3.422 -4.571 13.240 1.00 0.00 C ATOM 1633 CZ TYR A 107 -3.815 -3.526 14.105 1.00 0.00 C ATOM 1634 OH TYR A 107 -2.874 -2.829 14.797 1.00 0.00 O ATOM 0 H TYR A 107 -9.554 -5.005 11.756 1.00 0.00 H new ATOM 0 HA TYR A 107 -7.024 -4.208 10.464 1.00 0.00 H new ATOM 0 HB2 TYR A 107 -7.456 -6.293 12.572 1.00 0.00 H new ATOM 0 HB3 TYR A 107 -6.270 -6.576 11.313 1.00 0.00 H new ATOM 0 HD1 TYR A 107 -7.202 -3.763 13.689 1.00 0.00 H new ATOM 0 HD2 TYR A 107 -4.077 -6.074 11.840 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -5.498 -2.404 14.870 1.00 0.00 H new ATOM 0 HE2 TYR A 107 -2.376 -4.819 13.136 1.00 0.00 H new ATOM 0 HH TYR A 107 -1.984 -3.180 14.583 1.00 0.00 H new ATOM 1644 N ARG A 108 -7.233 -6.202 8.807 1.00 0.00 N ATOM 1645 CA ARG A 108 -7.373 -7.176 7.734 1.00 0.00 C ATOM 1646 C ARG A 108 -6.338 -8.264 7.987 1.00 0.00 C ATOM 1647 O ARG A 108 -5.278 -7.960 8.530 1.00 0.00 O ATOM 1648 CB ARG A 108 -7.101 -6.492 6.378 1.00 0.00 C ATOM 1649 CG ARG A 108 -7.955 -7.059 5.234 1.00 0.00 C ATOM 1650 CD ARG A 108 -9.400 -6.588 5.417 1.00 0.00 C ATOM 1651 NE ARG A 108 -10.244 -6.834 4.245 1.00 0.00 N ATOM 1652 CZ ARG A 108 -11.554 -6.568 4.218 1.00 0.00 C ATOM 1653 NH1 ARG A 108 -12.179 -6.100 5.294 1.00 0.00 N ATOM 1654 NH2 ARG A 108 -12.249 -6.767 3.108 1.00 0.00 N ATOM 0 H ARG A 108 -6.319 -5.749 8.795 1.00 0.00 H new ATOM 0 HA ARG A 108 -8.378 -7.596 7.708 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -7.294 -5.423 6.472 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -6.046 -6.605 6.126 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -7.568 -6.724 4.272 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -7.910 -8.148 5.234 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -9.833 -7.094 6.280 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -9.401 -5.521 5.639 1.00 0.00 H new ATOM 0 HE ARG A 108 -9.811 -7.227 3.409 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -11.659 -5.939 6.156 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -13.179 -5.902 5.257 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -11.785 -7.124 2.273 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -13.248 -6.564 3.089 1.00 0.00 H new ATOM 1668 N ASN A 109 -6.570 -9.484 7.513 1.00 0.00 N ATOM 1669 CA ASN A 109 -5.563 -10.497 7.293 1.00 0.00 C ATOM 1670 C ASN A 109 -5.757 -10.973 5.861 1.00 0.00 C ATOM 1671 O ASN A 109 -6.894 -11.050 5.387 1.00 0.00 O ATOM 1672 CB ASN A 109 -5.676 -11.652 8.297 1.00 0.00 C ATOM 1673 CG ASN A 109 -7.082 -11.977 8.784 1.00 0.00 C ATOM 1674 OD1 ASN A 109 -7.443 -11.658 9.916 1.00 0.00 O ATOM 1675 ND2 ASN A 109 -7.910 -12.587 7.959 1.00 0.00 N ATOM 0 H ASN A 109 -7.507 -9.800 7.263 1.00 0.00 H new ATOM 0 HA ASN A 109 -4.563 -10.091 7.443 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -5.255 -12.547 7.840 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -5.058 -11.416 9.163 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -8.862 -12.800 8.257 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -7.598 -12.846 7.023 1.00 0.00 H new ATOM 1682 N VAL A 110 -4.660 -11.257 5.173 1.00 0.00 N ATOM 1683 CA VAL A 110 -4.576 -11.726 3.795 1.00 0.00 C ATOM 1684 C VAL A 110 -3.398 -12.706 3.717 1.00 0.00 C ATOM 1685 O VAL A 110 -2.681 -12.882 4.703 1.00 0.00 O ATOM 1686 CB VAL A 110 -4.386 -10.534 2.828 1.00 0.00 C ATOM 1687 CG1 VAL A 110 -5.641 -9.654 2.733 1.00 0.00 C ATOM 1688 CG2 VAL A 110 -3.178 -9.642 3.173 1.00 0.00 C ATOM 0 H VAL A 110 -3.736 -11.159 5.594 1.00 0.00 H new ATOM 0 HA VAL A 110 -5.497 -12.228 3.498 1.00 0.00 H new ATOM 0 HB VAL A 110 -4.195 -11.002 1.862 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -5.457 -8.831 2.042 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -6.478 -10.251 2.371 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -5.880 -9.254 3.718 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -3.109 -8.828 2.452 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -3.304 -9.230 4.174 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -2.265 -10.236 3.138 1.00 0.00 H new ATOM 1698 N LEU A 111 -3.175 -13.353 2.571 1.00 0.00 N ATOM 1699 CA LEU A 111 -1.962 -14.127 2.316 1.00 0.00 C ATOM 1700 C LEU A 111 -1.202 -13.479 1.152 1.00 0.00 C ATOM 1701 O LEU A 111 -1.811 -12.814 0.313 1.00 0.00 O ATOM 1702 CB LEU A 111 -2.335 -15.569 1.908 1.00 0.00 C ATOM 1703 CG LEU A 111 -2.770 -16.626 2.927 1.00 0.00 C ATOM 1704 CD1 LEU A 111 -1.640 -17.249 3.743 1.00 0.00 C ATOM 1705 CD2 LEU A 111 -3.888 -16.148 3.848 1.00 0.00 C ATOM 0 H LEU A 111 -3.834 -13.354 1.792 1.00 0.00 H new ATOM 0 HA LEU A 111 -1.350 -14.147 3.218 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -3.141 -15.488 1.179 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -1.471 -15.978 1.384 1.00 0.00 H new ATOM 0 HG LEU A 111 -3.160 -17.423 2.294 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -2.053 -17.984 4.434 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -0.934 -17.738 3.072 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -1.126 -16.470 4.306 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -4.150 -16.943 4.546 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -3.552 -15.273 4.405 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -4.763 -15.885 3.253 1.00 0.00 H new ATOM 1717 N LEU A 112 0.097 -13.766 1.051 1.00 0.00 N ATOM 1718 CA LEU A 112 1.034 -13.372 -0.002 1.00 0.00 C ATOM 1719 C LEU A 112 1.751 -14.639 -0.485 1.00 0.00 C ATOM 1720 O LEU A 112 2.008 -15.543 0.312 1.00 0.00 O ATOM 1721 CB LEU A 112 2.086 -12.369 0.540 1.00 0.00 C ATOM 1722 CG LEU A 112 2.347 -11.163 -0.396 1.00 0.00 C ATOM 1723 CD1 LEU A 112 3.503 -10.308 0.136 1.00 0.00 C ATOM 1724 CD2 LEU A 112 2.704 -11.563 -1.837 1.00 0.00 C ATOM 0 H LEU A 112 0.560 -14.328 1.765 1.00 0.00 H new ATOM 0 HA LEU A 112 0.490 -12.889 -0.814 1.00 0.00 H new ATOM 0 HB2 LEU A 112 1.754 -11.998 1.510 1.00 0.00 H new ATOM 0 HB3 LEU A 112 3.025 -12.897 0.706 1.00 0.00 H new ATOM 0 HG LEU A 112 1.408 -10.610 -0.412 1.00 0.00 H new ATOM 0 HD11 LEU A 112 3.671 -9.466 -0.535 1.00 0.00 H new ATOM 0 HD12 LEU A 112 3.253 -9.936 1.130 1.00 0.00 H new ATOM 0 HD13 LEU A 112 4.408 -10.914 0.192 1.00 0.00 H new ATOM 0 HD21 LEU A 112 2.873 -10.666 -2.433 1.00 0.00 H new ATOM 0 HD22 LEU A 112 3.609 -12.171 -1.832 1.00 0.00 H new ATOM 0 HD23 LEU A 112 1.884 -12.136 -2.269 1.00 0.00 H new ATOM 1736 N ARG A 113 2.099 -14.717 -1.771 1.00 0.00 N ATOM 1737 CA ARG A 113 2.767 -15.877 -2.365 1.00 0.00 C ATOM 1738 C ARG A 113 4.093 -16.231 -1.677 1.00 0.00 C ATOM 1739 O ARG A 113 4.769 -15.347 -1.148 1.00 0.00 O ATOM 1740 CB ARG A 113 2.954 -15.650 -3.872 1.00 0.00 C ATOM 1741 CG ARG A 113 3.888 -14.471 -4.195 1.00 0.00 C ATOM 1742 CD ARG A 113 3.154 -13.353 -4.944 1.00 0.00 C ATOM 1743 NE ARG A 113 4.024 -12.178 -5.159 1.00 0.00 N ATOM 1744 CZ ARG A 113 4.997 -12.063 -6.075 1.00 0.00 C ATOM 1745 NH1 ARG A 113 5.077 -12.901 -7.098 1.00 0.00 N ATOM 1746 NH2 ARG A 113 5.904 -11.104 -5.950 1.00 0.00 N ATOM 0 H ARG A 113 1.922 -13.966 -2.438 1.00 0.00 H new ATOM 0 HA ARG A 113 2.122 -16.742 -2.209 1.00 0.00 H new ATOM 0 HB2 ARG A 113 3.356 -16.558 -4.323 1.00 0.00 H new ATOM 0 HB3 ARG A 113 1.981 -15.471 -4.330 1.00 0.00 H new ATOM 0 HG2 ARG A 113 4.307 -14.075 -3.270 1.00 0.00 H new ATOM 0 HG3 ARG A 113 4.724 -14.824 -4.798 1.00 0.00 H new ATOM 0 HD2 ARG A 113 2.804 -13.728 -5.906 1.00 0.00 H new ATOM 0 HD3 ARG A 113 2.272 -13.054 -4.378 1.00 0.00 H new ATOM 0 HE ARG A 113 3.869 -11.374 -4.550 1.00 0.00 H new ATOM 0 HH11 ARG A 113 4.391 -13.649 -7.199 1.00 0.00 H new ATOM 0 HH12 ARG A 113 5.824 -12.798 -7.785 1.00 0.00 H new ATOM 0 HH21 ARG A 113 5.859 -10.459 -5.161 1.00 0.00 H new ATOM 0 HH22 ARG A 113 6.647 -11.011 -6.643 1.00 0.00 H new ATOM 1760 N LYS A 114 4.502 -17.496 -1.757 1.00 0.00 N ATOM 1761 CA LYS A 114 5.862 -17.993 -1.560 1.00 0.00 C ATOM 1762 C LYS A 114 5.950 -19.333 -2.285 1.00 0.00 C ATOM 1763 O LYS A 114 5.080 -20.176 -2.079 1.00 0.00 O ATOM 1764 CB LYS A 114 6.196 -18.203 -0.067 1.00 0.00 C ATOM 1765 CG LYS A 114 7.080 -17.079 0.495 1.00 0.00 C ATOM 1766 CD LYS A 114 7.780 -17.494 1.797 1.00 0.00 C ATOM 1767 CE LYS A 114 8.457 -16.275 2.437 1.00 0.00 C ATOM 1768 NZ LYS A 114 8.910 -16.542 3.818 1.00 0.00 N ATOM 0 H LYS A 114 3.850 -18.249 -1.975 1.00 0.00 H new ATOM 0 HA LYS A 114 6.573 -17.263 -1.947 1.00 0.00 H new ATOM 0 HB2 LYS A 114 5.271 -18.256 0.506 1.00 0.00 H new ATOM 0 HB3 LYS A 114 6.704 -19.159 0.059 1.00 0.00 H new ATOM 0 HG2 LYS A 114 7.829 -16.802 -0.247 1.00 0.00 H new ATOM 0 HG3 LYS A 114 6.470 -16.195 0.678 1.00 0.00 H new ATOM 0 HD2 LYS A 114 7.055 -17.923 2.489 1.00 0.00 H new ATOM 0 HD3 LYS A 114 8.521 -18.266 1.592 1.00 0.00 H new ATOM 0 HE2 LYS A 114 9.311 -15.976 1.829 1.00 0.00 H new ATOM 0 HE3 LYS A 114 7.760 -15.437 2.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 9.360 -15.689 4.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 8.093 -16.801 4.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 9.596 -17.324 3.813 1.00 0.00 H new ATOM 1782 N ASN A 115 6.979 -19.529 -3.110 1.00 0.00 N ATOM 1783 CA ASN A 115 7.269 -20.818 -3.739 1.00 0.00 C ATOM 1784 C ASN A 115 7.605 -21.836 -2.643 1.00 0.00 C ATOM 1785 O ASN A 115 6.753 -22.623 -2.230 1.00 0.00 O ATOM 1786 CB ASN A 115 8.390 -20.665 -4.794 1.00 0.00 C ATOM 1787 CG ASN A 115 7.964 -21.149 -6.169 1.00 0.00 C ATOM 1788 OD1 ASN A 115 8.539 -22.083 -6.711 1.00 0.00 O ATOM 1789 ND2 ASN A 115 6.982 -20.517 -6.785 1.00 0.00 N ATOM 0 H ASN A 115 7.639 -18.793 -3.362 1.00 0.00 H new ATOM 0 HA ASN A 115 6.398 -21.187 -4.280 1.00 0.00 H new ATOM 0 HB2 ASN A 115 8.685 -19.618 -4.856 1.00 0.00 H new ATOM 0 HB3 ASN A 115 9.268 -21.225 -4.471 1.00 0.00 H new ATOM 0 HD21 ASN A 115 6.697 -20.806 -7.721 1.00 0.00 H new ATOM 0 HD22 ASN A 115 6.508 -19.739 -6.325 1.00 0.00 H new ATOM 1796 N GLY A 116 8.815 -21.757 -2.086 1.00 0.00 N ATOM 1797 CA GLY A 116 9.336 -22.694 -1.108 1.00 0.00 C ATOM 1798 C GLY A 116 10.837 -22.609 -1.154 1.00 0.00 C ATOM 1799 O GLY A 116 11.412 -21.897 -0.310 1.00 0.00 O ATOM 0 H GLY A 116 9.474 -21.013 -2.315 1.00 0.00 H new ATOM 0 HA2 GLY A 116 8.969 -22.451 -0.111 1.00 0.00 H new ATOM 0 HA3 GLY A 116 9.002 -23.707 -1.332 1.00 0.00 H new TER 1803 GLY A 116