USER MOD reduce.3.24.130724 H: found=0, std=0, add=703, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 703 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 65 ASN : amide:sc= -6.52! C(o=-6.5!,f=-5!) USER MOD Set 1.2: A 70 TYR OH : rot 30:sc= 0 USER MOD Set 2.1: A 20 ASN : amide:sc= -0.581 X(o=-4.1,f=-4.3) USER MOD Set 2.2: A 22 GLN : amide:sc= -3.52! C(o=-4.1!,f=-9.2!) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 GLN : amide:sc= -1.11 K(o=-1.1,f=-0.06) USER MOD Single : A 10 ASN : amide:sc= -3.66! C(o=-3.7!,f=-2.7!) USER MOD Single : A 11 MET CE :methyl -139:sc= -0.988 (180deg=-3.24!) USER MOD Single : A 12 GLN : amide:sc= -2.44! K(o=-2.4!,f=-0.081) USER MOD Single : A 14 LYS NZ :NH3+ -179:sc= 1.25 (180deg=1.18) USER MOD Single : A 15 THR OG1 : rot -154:sc= 1.85 USER MOD Single : A 18 LYS NZ :NH3+ 145:sc= -2.21 (180deg=-6.07!) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc=-0.00934 USER MOD Single : A 33 GLN : amide:sc= -2.02! K(o=-2!,f=-0.77) USER MOD Single : A 35 SER OG : rot -82:sc= 0.966 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -141:sc= -2.64! (180deg=-5.28!) USER MOD Single : A 42 HIS : no HD1:sc= -0.0037 K(o=-0.0037,f=-1.3) USER MOD Single : A 45 THR OG1 : rot -59:sc= -0.617 USER MOD Single : A 47 MET CE :methyl 140:sc= -1.2 (180deg=-3.7!) USER MOD Single : A 51 LYS NZ :NH3+ 175:sc= 1.79 (180deg=1.66) USER MOD Single : A 52 GLN : amide:sc= -2.09! C(o=-2.1!,f=-4.4!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -0.822 X(o=-0.82,f=-0.65) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000666) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= -0.751 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -1.82! K(o=-1.8!,f=-0.048) USER MOD Single : A 72 MET CE :methyl 179:sc= -1.42 (180deg=-1.42) USER MOD Single : A 74 ASN : amide:sc= -0.804 K(o=-0.8,f=-4.1!) USER MOD Single : A 79 HIS : no HD1:sc= -0.405 X(o=-0.4,f=-0.026) USER MOD Single : A 83 LYS NZ :NH3+ 175:sc= -0.126 (180deg=-0.186) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 1.084 -0.940 -0.741 1.00 0.00 N ATOM 2 CA PRO A 1 1.923 -0.695 -1.927 1.00 0.00 C ATOM 3 C PRO A 1 1.948 -1.935 -2.812 1.00 0.00 C ATOM 4 O PRO A 1 1.144 -2.847 -2.622 1.00 0.00 O ATOM 5 CB PRO A 1 3.327 -0.333 -1.460 1.00 0.00 C ATOM 6 CG PRO A 1 3.231 -0.339 0.027 1.00 0.00 C ATOM 7 CD PRO A 1 1.758 -0.246 0.365 1.00 0.00 C ATOM 0 H2 PRO A 1 0.999 -1.939 -0.551 1.00 0.00 H new ATOM 0 H3 PRO A 1 0.139 -0.581 -0.879 1.00 0.00 H new ATOM 0 HA PRO A 1 1.515 0.127 -2.515 1.00 0.00 H new ATOM 0 HB2 PRO A 1 4.063 -1.055 -1.814 1.00 0.00 H new ATOM 0 HB3 PRO A 1 3.632 0.644 -1.835 1.00 0.00 H new ATOM 0 HG2 PRO A 1 3.667 -1.249 0.440 1.00 0.00 H new ATOM 0 HG3 PRO A 1 3.780 0.500 0.454 1.00 0.00 H new ATOM 0 HD2 PRO A 1 1.540 -0.719 1.323 1.00 0.00 H new ATOM 0 HD3 PRO A 1 1.432 0.792 0.440 1.00 0.00 H new ATOM 17 N VAL A 2 2.862 -1.975 -3.772 1.00 0.00 N ATOM 18 CA VAL A 2 2.976 -3.130 -4.653 1.00 0.00 C ATOM 19 C VAL A 2 4.368 -3.731 -4.545 1.00 0.00 C ATOM 20 O VAL A 2 5.328 -3.041 -4.194 1.00 0.00 O ATOM 21 CB VAL A 2 2.679 -2.790 -6.136 1.00 0.00 C ATOM 22 CG1 VAL A 2 1.347 -2.072 -6.271 1.00 0.00 C ATOM 23 CG2 VAL A 2 3.796 -1.968 -6.756 1.00 0.00 C ATOM 0 H VAL A 2 3.530 -1.228 -3.960 1.00 0.00 H new ATOM 0 HA VAL A 2 2.224 -3.848 -4.326 1.00 0.00 H new ATOM 0 HB VAL A 2 2.620 -3.732 -6.681 1.00 0.00 H new ATOM 0 HG11 VAL A 2 1.161 -1.844 -7.321 1.00 0.00 H new ATOM 0 HG12 VAL A 2 0.549 -2.711 -5.892 1.00 0.00 H new ATOM 0 HG13 VAL A 2 1.373 -1.145 -5.698 1.00 0.00 H new ATOM 0 HG21 VAL A 2 3.553 -1.749 -7.796 1.00 0.00 H new ATOM 0 HG22 VAL A 2 3.909 -1.034 -6.205 1.00 0.00 H new ATOM 0 HG23 VAL A 2 4.729 -2.530 -6.712 1.00 0.00 H new ATOM 33 N SER A 3 4.473 -5.015 -4.829 1.00 0.00 N ATOM 34 CA SER A 3 5.750 -5.690 -4.757 1.00 0.00 C ATOM 35 C SER A 3 6.463 -5.612 -6.097 1.00 0.00 C ATOM 36 O SER A 3 5.984 -6.138 -7.103 1.00 0.00 O ATOM 37 CB SER A 3 5.557 -7.146 -4.335 1.00 0.00 C ATOM 38 OG SER A 3 4.813 -7.227 -3.129 1.00 0.00 O ATOM 0 H SER A 3 3.692 -5.608 -5.110 1.00 0.00 H new ATOM 0 HA SER A 3 6.367 -5.193 -4.008 1.00 0.00 H new ATOM 0 HB2 SER A 3 5.040 -7.692 -5.124 1.00 0.00 H new ATOM 0 HB3 SER A 3 6.528 -7.622 -4.201 1.00 0.00 H new ATOM 0 HG SER A 3 4.699 -8.167 -2.877 1.00 0.00 H new ATOM 44 N ILE A 4 7.598 -4.943 -6.105 1.00 0.00 N ATOM 45 CA ILE A 4 8.376 -4.769 -7.319 1.00 0.00 C ATOM 46 C ILE A 4 9.747 -5.408 -7.176 1.00 0.00 C ATOM 47 O ILE A 4 10.384 -5.306 -6.133 1.00 0.00 O ATOM 48 CB ILE A 4 8.538 -3.281 -7.680 1.00 0.00 C ATOM 49 CG1 ILE A 4 8.595 -2.426 -6.417 1.00 0.00 C ATOM 50 CG2 ILE A 4 7.409 -2.825 -8.591 1.00 0.00 C ATOM 51 CD1 ILE A 4 8.828 -0.956 -6.691 1.00 0.00 C ATOM 0 H ILE A 4 8.006 -4.507 -5.278 1.00 0.00 H new ATOM 0 HA ILE A 4 7.830 -5.262 -8.124 1.00 0.00 H new ATOM 0 HB ILE A 4 9.478 -3.158 -8.217 1.00 0.00 H new ATOM 0 HG12 ILE A 4 7.660 -2.541 -5.868 1.00 0.00 H new ATOM 0 HG13 ILE A 4 9.391 -2.798 -5.772 1.00 0.00 H new ATOM 0 HG21 ILE A 4 7.541 -1.771 -8.835 1.00 0.00 H new ATOM 0 HG22 ILE A 4 7.421 -3.414 -9.508 1.00 0.00 H new ATOM 0 HG23 ILE A 4 6.454 -2.963 -8.084 1.00 0.00 H new ATOM 0 HD11 ILE A 4 8.857 -0.410 -5.748 1.00 0.00 H new ATOM 0 HD12 ILE A 4 9.776 -0.829 -7.213 1.00 0.00 H new ATOM 0 HD13 ILE A 4 8.019 -0.568 -7.310 1.00 0.00 H new ATOM 63 N LYS A 5 10.191 -6.071 -8.222 1.00 0.00 N ATOM 64 CA LYS A 5 11.460 -6.772 -8.185 1.00 0.00 C ATOM 65 C LYS A 5 12.399 -6.194 -9.224 1.00 0.00 C ATOM 66 O LYS A 5 11.966 -5.761 -10.288 1.00 0.00 O ATOM 67 CB LYS A 5 11.256 -8.257 -8.464 1.00 0.00 C ATOM 68 CG LYS A 5 10.118 -8.870 -7.672 1.00 0.00 C ATOM 69 CD LYS A 5 9.525 -10.052 -8.415 1.00 0.00 C ATOM 70 CE LYS A 5 8.059 -10.227 -8.080 1.00 0.00 C ATOM 71 NZ LYS A 5 7.854 -11.024 -6.840 1.00 0.00 N ATOM 0 H LYS A 5 9.693 -6.140 -9.110 1.00 0.00 H new ATOM 0 HA LYS A 5 11.892 -6.651 -7.192 1.00 0.00 H new ATOM 0 HB2 LYS A 5 11.064 -8.396 -9.528 1.00 0.00 H new ATOM 0 HB3 LYS A 5 12.178 -8.792 -8.234 1.00 0.00 H new ATOM 0 HG2 LYS A 5 10.480 -9.192 -6.695 1.00 0.00 H new ATOM 0 HG3 LYS A 5 9.346 -8.121 -7.495 1.00 0.00 H new ATOM 0 HD2 LYS A 5 9.641 -9.906 -9.489 1.00 0.00 H new ATOM 0 HD3 LYS A 5 10.071 -10.959 -8.156 1.00 0.00 H new ATOM 0 HE2 LYS A 5 7.597 -9.247 -7.960 1.00 0.00 H new ATOM 0 HE3 LYS A 5 7.555 -10.718 -8.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 6.835 -11.117 -6.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 8.271 -11.969 -6.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 8.312 -10.544 -6.039 1.00 0.00 H new ATOM 85 N VAL A 6 13.678 -6.197 -8.915 1.00 0.00 N ATOM 86 CA VAL A 6 14.683 -5.733 -9.848 1.00 0.00 C ATOM 87 C VAL A 6 15.703 -6.835 -10.089 1.00 0.00 C ATOM 88 O VAL A 6 16.524 -7.146 -9.222 1.00 0.00 O ATOM 89 CB VAL A 6 15.401 -4.459 -9.343 1.00 0.00 C ATOM 90 CG1 VAL A 6 16.391 -3.956 -10.380 1.00 0.00 C ATOM 91 CG2 VAL A 6 14.391 -3.372 -8.994 1.00 0.00 C ATOM 0 H VAL A 6 14.048 -6.517 -8.020 1.00 0.00 H new ATOM 0 HA VAL A 6 14.178 -5.479 -10.780 1.00 0.00 H new ATOM 0 HB VAL A 6 15.952 -4.715 -8.438 1.00 0.00 H new ATOM 0 HG11 VAL A 6 16.886 -3.060 -10.006 1.00 0.00 H new ATOM 0 HG12 VAL A 6 17.136 -4.727 -10.575 1.00 0.00 H new ATOM 0 HG13 VAL A 6 15.862 -3.720 -11.304 1.00 0.00 H new ATOM 0 HG21 VAL A 6 14.918 -2.485 -8.641 1.00 0.00 H new ATOM 0 HG22 VAL A 6 13.808 -3.119 -9.880 1.00 0.00 H new ATOM 0 HG23 VAL A 6 13.724 -3.733 -8.211 1.00 0.00 H new ATOM 101 N GLN A 7 15.620 -7.449 -11.257 1.00 0.00 N ATOM 102 CA GLN A 7 16.523 -8.518 -11.624 1.00 0.00 C ATOM 103 C GLN A 7 17.900 -7.947 -11.911 1.00 0.00 C ATOM 104 O GLN A 7 18.112 -7.293 -12.927 1.00 0.00 O ATOM 105 CB GLN A 7 15.993 -9.269 -12.848 1.00 0.00 C ATOM 106 CG GLN A 7 16.234 -10.766 -12.790 1.00 0.00 C ATOM 107 CD GLN A 7 17.700 -11.119 -12.886 1.00 0.00 C ATOM 108 OE1 GLN A 7 18.211 -11.435 -13.957 1.00 0.00 O ATOM 109 NE2 GLN A 7 18.389 -10.999 -11.773 1.00 0.00 N ATOM 0 H GLN A 7 14.928 -7.220 -11.971 1.00 0.00 H new ATOM 0 HA GLN A 7 16.594 -9.222 -10.795 1.00 0.00 H new ATOM 0 HB2 GLN A 7 14.923 -9.085 -12.942 1.00 0.00 H new ATOM 0 HB3 GLN A 7 16.466 -8.867 -13.744 1.00 0.00 H new ATOM 0 HG2 GLN A 7 15.829 -11.160 -11.858 1.00 0.00 H new ATOM 0 HG3 GLN A 7 15.693 -11.250 -13.603 1.00 0.00 H new ATOM 0 HE21 GLN A 7 17.918 -10.734 -10.908 1.00 0.00 H new ATOM 0 HE22 GLN A 7 19.394 -11.171 -11.775 1.00 0.00 H new ATOM 118 N VAL A 8 18.818 -8.181 -10.994 1.00 0.00 N ATOM 119 CA VAL A 8 20.168 -7.690 -11.121 1.00 0.00 C ATOM 120 C VAL A 8 20.961 -8.563 -12.091 1.00 0.00 C ATOM 121 O VAL A 8 20.953 -9.785 -11.970 1.00 0.00 O ATOM 122 CB VAL A 8 20.867 -7.671 -9.747 1.00 0.00 C ATOM 123 CG1 VAL A 8 22.291 -7.182 -9.867 1.00 0.00 C ATOM 124 CG2 VAL A 8 20.090 -6.816 -8.762 1.00 0.00 C ATOM 0 H VAL A 8 18.646 -8.716 -10.143 1.00 0.00 H new ATOM 0 HA VAL A 8 20.127 -6.673 -11.510 1.00 0.00 H new ATOM 0 HB VAL A 8 20.893 -8.694 -9.371 1.00 0.00 H new ATOM 0 HG11 VAL A 8 22.759 -7.179 -8.883 1.00 0.00 H new ATOM 0 HG12 VAL A 8 22.848 -7.843 -10.532 1.00 0.00 H new ATOM 0 HG13 VAL A 8 22.295 -6.171 -10.274 1.00 0.00 H new ATOM 0 HG21 VAL A 8 20.600 -6.816 -7.799 1.00 0.00 H new ATOM 0 HG22 VAL A 8 20.025 -5.795 -9.138 1.00 0.00 H new ATOM 0 HG23 VAL A 8 19.086 -7.222 -8.641 1.00 0.00 H new ATOM 134 N PRO A 9 21.653 -7.954 -13.063 1.00 0.00 N ATOM 135 CA PRO A 9 22.445 -8.696 -14.043 1.00 0.00 C ATOM 136 C PRO A 9 23.632 -9.408 -13.398 1.00 0.00 C ATOM 137 O PRO A 9 24.164 -8.959 -12.375 1.00 0.00 O ATOM 138 CB PRO A 9 22.920 -7.612 -15.017 1.00 0.00 C ATOM 139 CG PRO A 9 22.873 -6.347 -14.235 1.00 0.00 C ATOM 140 CD PRO A 9 21.722 -6.499 -13.284 1.00 0.00 C ATOM 0 HA PRO A 9 21.869 -9.486 -14.525 1.00 0.00 H new ATOM 0 HB2 PRO A 9 23.929 -7.818 -15.375 1.00 0.00 H new ATOM 0 HB3 PRO A 9 22.275 -7.559 -15.894 1.00 0.00 H new ATOM 0 HG2 PRO A 9 23.807 -6.185 -13.697 1.00 0.00 H new ATOM 0 HG3 PRO A 9 22.729 -5.487 -14.890 1.00 0.00 H new ATOM 0 HD2 PRO A 9 21.895 -5.959 -12.353 1.00 0.00 H new ATOM 0 HD3 PRO A 9 20.796 -6.113 -13.709 1.00 0.00 H new ATOM 148 N ASN A 10 24.027 -10.530 -13.979 1.00 0.00 N ATOM 149 CA ASN A 10 25.148 -11.306 -13.464 1.00 0.00 C ATOM 150 C ASN A 10 26.474 -10.653 -13.831 1.00 0.00 C ATOM 151 O ASN A 10 27.049 -10.948 -14.877 1.00 0.00 O ATOM 152 CB ASN A 10 25.122 -12.740 -14.012 1.00 0.00 C ATOM 153 CG ASN A 10 24.001 -13.590 -13.445 1.00 0.00 C ATOM 154 OD1 ASN A 10 22.895 -13.622 -13.987 1.00 0.00 O ATOM 155 ND2 ASN A 10 24.282 -14.293 -12.358 1.00 0.00 N ATOM 0 H ASN A 10 23.587 -10.926 -14.810 1.00 0.00 H new ATOM 0 HA ASN A 10 25.052 -11.337 -12.379 1.00 0.00 H new ATOM 0 HB2 ASN A 10 25.025 -12.703 -15.097 1.00 0.00 H new ATOM 0 HB3 ASN A 10 26.076 -13.220 -13.794 1.00 0.00 H new ATOM 0 HD21 ASN A 10 23.569 -14.890 -11.938 1.00 0.00 H new ATOM 0 HD22 ASN A 10 25.211 -14.238 -11.941 1.00 0.00 H new ATOM 162 N MET A 11 26.955 -9.748 -12.986 1.00 0.00 N ATOM 163 CA MET A 11 28.247 -9.116 -13.222 1.00 0.00 C ATOM 164 C MET A 11 29.018 -8.977 -11.921 1.00 0.00 C ATOM 165 O MET A 11 29.134 -7.887 -11.368 1.00 0.00 O ATOM 166 CB MET A 11 28.072 -7.742 -13.892 1.00 0.00 C ATOM 167 CG MET A 11 27.790 -7.826 -15.388 1.00 0.00 C ATOM 168 SD MET A 11 28.138 -6.293 -16.280 1.00 0.00 S ATOM 169 CE MET A 11 27.038 -5.148 -15.464 1.00 0.00 C ATOM 0 H MET A 11 26.476 -9.438 -12.141 1.00 0.00 H new ATOM 0 HA MET A 11 28.817 -9.754 -13.897 1.00 0.00 H new ATOM 0 HB2 MET A 11 27.254 -7.211 -13.405 1.00 0.00 H new ATOM 0 HB3 MET A 11 28.974 -7.152 -13.733 1.00 0.00 H new ATOM 0 HG2 MET A 11 28.389 -8.630 -15.817 1.00 0.00 H new ATOM 0 HG3 MET A 11 26.744 -8.093 -15.537 1.00 0.00 H new ATOM 0 HE1 MET A 11 26.579 -4.494 -16.205 1.00 0.00 H new ATOM 0 HE2 MET A 11 26.261 -5.702 -14.938 1.00 0.00 H new ATOM 0 HE3 MET A 11 27.602 -4.548 -14.750 1.00 0.00 H new ATOM 179 N GLN A 12 29.567 -10.093 -11.451 1.00 0.00 N ATOM 180 CA GLN A 12 30.246 -10.125 -10.158 1.00 0.00 C ATOM 181 C GLN A 12 31.649 -9.561 -10.288 1.00 0.00 C ATOM 182 O GLN A 12 32.096 -8.752 -9.484 1.00 0.00 O ATOM 183 CB GLN A 12 30.348 -11.560 -9.625 1.00 0.00 C ATOM 184 CG GLN A 12 29.088 -12.401 -9.782 1.00 0.00 C ATOM 185 CD GLN A 12 29.060 -13.192 -11.077 1.00 0.00 C ATOM 186 OE1 GLN A 12 29.590 -14.294 -11.152 1.00 0.00 O ATOM 187 NE2 GLN A 12 28.404 -12.654 -12.092 1.00 0.00 N ATOM 0 H GLN A 12 29.556 -10.986 -11.944 1.00 0.00 H new ATOM 0 HA GLN A 12 29.660 -9.522 -9.464 1.00 0.00 H new ATOM 0 HB2 GLN A 12 31.168 -12.063 -10.137 1.00 0.00 H new ATOM 0 HB3 GLN A 12 30.610 -11.520 -8.568 1.00 0.00 H new ATOM 0 HG2 GLN A 12 29.010 -13.089 -8.941 1.00 0.00 H new ATOM 0 HG3 GLN A 12 28.215 -11.749 -9.742 1.00 0.00 H new ATOM 0 HE21 GLN A 12 27.976 -11.734 -11.992 1.00 0.00 H new ATOM 0 HE22 GLN A 12 28.327 -13.159 -12.975 1.00 0.00 H new ATOM 196 N ASP A 13 32.315 -10.002 -11.336 1.00 0.00 N ATOM 197 CA ASP A 13 33.707 -9.674 -11.587 1.00 0.00 C ATOM 198 C ASP A 13 33.815 -8.823 -12.849 1.00 0.00 C ATOM 199 O ASP A 13 34.884 -8.358 -13.233 1.00 0.00 O ATOM 200 CB ASP A 13 34.490 -10.998 -11.699 1.00 0.00 C ATOM 201 CG ASP A 13 35.674 -10.966 -12.649 1.00 0.00 C ATOM 202 OD1 ASP A 13 36.781 -10.585 -12.222 1.00 0.00 O ATOM 203 OD2 ASP A 13 35.500 -11.364 -13.826 1.00 0.00 O ATOM 0 H ASP A 13 31.901 -10.605 -12.047 1.00 0.00 H new ATOM 0 HA ASP A 13 34.132 -9.085 -10.774 1.00 0.00 H new ATOM 0 HB2 ASP A 13 34.847 -11.276 -10.707 1.00 0.00 H new ATOM 0 HB3 ASP A 13 33.805 -11.781 -12.023 1.00 0.00 H new ATOM 208 N LYS A 14 32.665 -8.568 -13.456 1.00 0.00 N ATOM 209 CA LYS A 14 32.620 -7.903 -14.753 1.00 0.00 C ATOM 210 C LYS A 14 32.479 -6.398 -14.579 1.00 0.00 C ATOM 211 O LYS A 14 32.463 -5.641 -15.551 1.00 0.00 O ATOM 212 CB LYS A 14 31.452 -8.454 -15.578 1.00 0.00 C ATOM 213 CG LYS A 14 31.216 -9.946 -15.371 1.00 0.00 C ATOM 214 CD LYS A 14 32.477 -10.759 -15.632 1.00 0.00 C ATOM 215 CE LYS A 14 32.384 -12.151 -15.030 1.00 0.00 C ATOM 216 NZ LYS A 14 33.667 -12.890 -15.170 1.00 0.00 N ATOM 0 H LYS A 14 31.751 -8.810 -13.073 1.00 0.00 H new ATOM 0 HA LYS A 14 33.553 -8.100 -15.280 1.00 0.00 H new ATOM 0 HB2 LYS A 14 30.544 -7.910 -15.317 1.00 0.00 H new ATOM 0 HB3 LYS A 14 31.643 -8.267 -16.635 1.00 0.00 H new ATOM 0 HG2 LYS A 14 30.875 -10.122 -14.351 1.00 0.00 H new ATOM 0 HG3 LYS A 14 30.421 -10.284 -16.036 1.00 0.00 H new ATOM 0 HD2 LYS A 14 32.643 -10.838 -16.706 1.00 0.00 H new ATOM 0 HD3 LYS A 14 33.338 -10.239 -15.214 1.00 0.00 H new ATOM 0 HE2 LYS A 14 32.119 -12.076 -13.975 1.00 0.00 H new ATOM 0 HE3 LYS A 14 31.586 -12.708 -15.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 33.565 -13.842 -14.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 33.915 -12.967 -16.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 34.419 -12.378 -14.666 1.00 0.00 H new ATOM 230 N THR A 15 32.392 -5.971 -13.329 1.00 0.00 N ATOM 231 CA THR A 15 32.218 -4.567 -13.011 1.00 0.00 C ATOM 232 C THR A 15 32.478 -4.323 -11.523 1.00 0.00 C ATOM 233 O THR A 15 32.818 -5.249 -10.786 1.00 0.00 O ATOM 234 CB THR A 15 30.801 -4.082 -13.392 1.00 0.00 C ATOM 235 OG1 THR A 15 30.692 -2.666 -13.202 1.00 0.00 O ATOM 236 CG2 THR A 15 29.739 -4.794 -12.566 1.00 0.00 C ATOM 0 H THR A 15 32.440 -6.583 -12.515 1.00 0.00 H new ATOM 0 HA THR A 15 32.940 -3.997 -13.595 1.00 0.00 H new ATOM 0 HB THR A 15 30.638 -4.318 -14.444 1.00 0.00 H new ATOM 0 HG1 THR A 15 29.755 -2.428 -13.043 1.00 0.00 H new ATOM 0 HG21 THR A 15 28.752 -4.434 -12.855 1.00 0.00 H new ATOM 0 HG22 THR A 15 29.800 -5.868 -12.743 1.00 0.00 H new ATOM 0 HG23 THR A 15 29.904 -4.591 -11.508 1.00 0.00 H new ATOM 244 N GLU A 16 32.299 -3.080 -11.099 1.00 0.00 N ATOM 245 CA GLU A 16 32.608 -2.660 -9.738 1.00 0.00 C ATOM 246 C GLU A 16 31.369 -2.694 -8.849 1.00 0.00 C ATOM 247 O GLU A 16 31.455 -2.502 -7.633 1.00 0.00 O ATOM 248 CB GLU A 16 33.184 -1.243 -9.770 1.00 0.00 C ATOM 249 CG GLU A 16 32.262 -0.239 -10.448 1.00 0.00 C ATOM 250 CD GLU A 16 32.880 1.134 -10.599 1.00 0.00 C ATOM 251 OE1 GLU A 16 33.028 1.839 -9.581 1.00 0.00 O ATOM 252 OE2 GLU A 16 33.209 1.519 -11.738 1.00 0.00 O ATOM 0 H GLU A 16 31.935 -2.332 -11.690 1.00 0.00 H new ATOM 0 HA GLU A 16 33.337 -3.353 -9.319 1.00 0.00 H new ATOM 0 HB2 GLU A 16 33.382 -0.914 -8.750 1.00 0.00 H new ATOM 0 HB3 GLU A 16 34.141 -1.258 -10.291 1.00 0.00 H new ATOM 0 HG2 GLU A 16 31.987 -0.616 -11.433 1.00 0.00 H new ATOM 0 HG3 GLU A 16 31.341 -0.154 -9.871 1.00 0.00 H new ATOM 259 N TRP A 17 30.223 -2.943 -9.458 1.00 0.00 N ATOM 260 CA TRP A 17 28.952 -2.891 -8.747 1.00 0.00 C ATOM 261 C TRP A 17 28.651 -4.223 -8.073 1.00 0.00 C ATOM 262 O TRP A 17 29.281 -5.240 -8.368 1.00 0.00 O ATOM 263 CB TRP A 17 27.819 -2.524 -9.707 1.00 0.00 C ATOM 264 CG TRP A 17 28.150 -1.347 -10.560 1.00 0.00 C ATOM 265 CD1 TRP A 17 28.622 -0.143 -10.138 1.00 0.00 C ATOM 266 CD2 TRP A 17 28.041 -1.262 -11.981 1.00 0.00 C ATOM 267 NE1 TRP A 17 28.831 0.681 -11.212 1.00 0.00 N ATOM 268 CE2 TRP A 17 28.481 0.017 -12.355 1.00 0.00 C ATOM 269 CE3 TRP A 17 27.621 -2.146 -12.976 1.00 0.00 C ATOM 270 CZ2 TRP A 17 28.511 0.432 -13.678 1.00 0.00 C ATOM 271 CZ3 TRP A 17 27.652 -1.731 -14.292 1.00 0.00 C ATOM 272 CH2 TRP A 17 28.096 -0.452 -14.632 1.00 0.00 C ATOM 0 H TRP A 17 30.144 -3.184 -10.446 1.00 0.00 H new ATOM 0 HA TRP A 17 29.028 -2.124 -7.977 1.00 0.00 H new ATOM 0 HB2 TRP A 17 27.597 -3.379 -10.345 1.00 0.00 H new ATOM 0 HB3 TRP A 17 26.917 -2.311 -9.134 1.00 0.00 H new ATOM 0 HD1 TRP A 17 28.805 0.124 -9.108 1.00 0.00 H new ATOM 0 HE1 TRP A 17 29.189 1.635 -11.167 1.00 0.00 H new ATOM 0 HE3 TRP A 17 27.278 -3.138 -12.721 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 28.851 1.422 -13.945 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 27.328 -2.406 -15.070 1.00 0.00 H new ATOM 0 HH2 TRP A 17 28.112 -0.156 -15.670 1.00 0.00 H new ATOM 283 N LYS A 18 27.664 -4.213 -7.190 1.00 0.00 N ATOM 284 CA LYS A 18 27.294 -5.391 -6.415 1.00 0.00 C ATOM 285 C LYS A 18 26.365 -6.308 -7.211 1.00 0.00 C ATOM 286 O LYS A 18 25.545 -7.035 -6.648 1.00 0.00 O ATOM 287 CB LYS A 18 26.609 -4.958 -5.115 1.00 0.00 C ATOM 288 CG LYS A 18 25.244 -4.319 -5.317 1.00 0.00 C ATOM 289 CD LYS A 18 24.150 -5.201 -4.741 1.00 0.00 C ATOM 290 CE LYS A 18 22.983 -5.363 -5.700 1.00 0.00 C ATOM 291 NZ LYS A 18 22.094 -4.172 -5.673 1.00 0.00 N ATOM 0 H LYS A 18 27.096 -3.390 -6.989 1.00 0.00 H new ATOM 0 HA LYS A 18 28.202 -5.948 -6.184 1.00 0.00 H new ATOM 0 HB2 LYS A 18 26.499 -5.828 -4.467 1.00 0.00 H new ATOM 0 HB3 LYS A 18 27.255 -4.252 -4.594 1.00 0.00 H new ATOM 0 HG2 LYS A 18 25.220 -3.341 -4.837 1.00 0.00 H new ATOM 0 HG3 LYS A 18 25.066 -4.157 -6.380 1.00 0.00 H new ATOM 0 HD2 LYS A 18 24.563 -6.182 -4.504 1.00 0.00 H new ATOM 0 HD3 LYS A 18 23.793 -4.771 -3.805 1.00 0.00 H new ATOM 0 HE2 LYS A 18 23.359 -5.516 -6.712 1.00 0.00 H new ATOM 0 HE3 LYS A 18 22.412 -6.252 -5.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 21.715 -4.000 -6.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 21.308 -4.340 -5.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 22.636 -3.341 -5.361 1.00 0.00 H new ATOM 305 N LEU A 19 26.499 -6.288 -8.520 1.00 0.00 N ATOM 306 CA LEU A 19 25.649 -7.095 -9.371 1.00 0.00 C ATOM 307 C LEU A 19 26.163 -8.530 -9.366 1.00 0.00 C ATOM 308 O LEU A 19 27.351 -8.756 -9.546 1.00 0.00 O ATOM 309 CB LEU A 19 25.664 -6.558 -10.803 1.00 0.00 C ATOM 310 CG LEU A 19 25.583 -5.036 -10.948 1.00 0.00 C ATOM 311 CD1 LEU A 19 25.473 -4.652 -12.407 1.00 0.00 C ATOM 312 CD2 LEU A 19 24.412 -4.478 -10.172 1.00 0.00 C ATOM 0 H LEU A 19 27.187 -5.723 -9.018 1.00 0.00 H new ATOM 0 HA LEU A 19 24.627 -7.059 -8.993 1.00 0.00 H new ATOM 0 HB2 LEU A 19 26.577 -6.902 -11.290 1.00 0.00 H new ATOM 0 HB3 LEU A 19 24.828 -7.000 -11.345 1.00 0.00 H new ATOM 0 HG LEU A 19 26.498 -4.609 -10.538 1.00 0.00 H new ATOM 0 HD11 LEU A 19 25.416 -3.567 -12.494 1.00 0.00 H new ATOM 0 HD12 LEU A 19 26.349 -5.014 -12.946 1.00 0.00 H new ATOM 0 HD13 LEU A 19 24.575 -5.098 -12.834 1.00 0.00 H new ATOM 0 HD21 LEU A 19 24.378 -3.395 -10.293 1.00 0.00 H new ATOM 0 HD22 LEU A 19 23.486 -4.914 -10.547 1.00 0.00 H new ATOM 0 HD23 LEU A 19 24.526 -4.722 -9.116 1.00 0.00 H new ATOM 324 N ASN A 20 25.294 -9.501 -9.145 1.00 0.00 N ATOM 325 CA ASN A 20 25.736 -10.898 -9.101 1.00 0.00 C ATOM 326 C ASN A 20 24.695 -11.812 -9.715 1.00 0.00 C ATOM 327 O ASN A 20 24.784 -13.033 -9.603 1.00 0.00 O ATOM 328 CB ASN A 20 26.024 -11.346 -7.663 1.00 0.00 C ATOM 329 CG ASN A 20 27.164 -10.582 -7.020 1.00 0.00 C ATOM 330 OD1 ASN A 20 28.309 -11.030 -7.008 1.00 0.00 O ATOM 331 ND2 ASN A 20 26.851 -9.408 -6.506 1.00 0.00 N ATOM 0 H ASN A 20 24.295 -9.360 -8.995 1.00 0.00 H new ATOM 0 HA ASN A 20 26.658 -10.964 -9.679 1.00 0.00 H new ATOM 0 HB2 ASN A 20 25.124 -11.218 -7.062 1.00 0.00 H new ATOM 0 HB3 ASN A 20 26.260 -12.410 -7.661 1.00 0.00 H new ATOM 0 HD21 ASN A 20 27.573 -8.831 -6.075 1.00 0.00 H new ATOM 0 HD22 ASN A 20 25.887 -9.078 -6.539 1.00 0.00 H new ATOM 338 N GLY A 21 23.719 -11.222 -10.387 1.00 0.00 N ATOM 339 CA GLY A 21 22.659 -12.010 -10.977 1.00 0.00 C ATOM 340 C GLY A 21 21.501 -12.237 -10.029 1.00 0.00 C ATOM 341 O GLY A 21 20.544 -12.933 -10.369 1.00 0.00 O ATOM 0 H GLY A 21 23.642 -10.216 -10.534 1.00 0.00 H new ATOM 0 HA2 GLY A 21 22.296 -11.509 -11.874 1.00 0.00 H new ATOM 0 HA3 GLY A 21 23.060 -12.974 -11.291 1.00 0.00 H new ATOM 345 N GLN A 22 21.581 -11.659 -8.833 1.00 0.00 N ATOM 346 CA GLN A 22 20.515 -11.822 -7.854 1.00 0.00 C ATOM 347 C GLN A 22 19.314 -10.954 -8.208 1.00 0.00 C ATOM 348 O GLN A 22 19.358 -10.151 -9.135 1.00 0.00 O ATOM 349 CB GLN A 22 20.995 -11.496 -6.431 1.00 0.00 C ATOM 350 CG GLN A 22 21.344 -10.034 -6.203 1.00 0.00 C ATOM 351 CD GLN A 22 22.827 -9.751 -6.333 1.00 0.00 C ATOM 352 OE1 GLN A 22 23.656 -10.608 -6.061 1.00 0.00 O ATOM 353 NE2 GLN A 22 23.168 -8.544 -6.751 1.00 0.00 N ATOM 0 H GLN A 22 22.363 -11.081 -8.523 1.00 0.00 H new ATOM 0 HA GLN A 22 20.215 -12.870 -7.879 1.00 0.00 H new ATOM 0 HB2 GLN A 22 20.218 -11.785 -5.724 1.00 0.00 H new ATOM 0 HB3 GLN A 22 21.871 -12.105 -6.208 1.00 0.00 H new ATOM 0 HG2 GLN A 22 20.799 -9.420 -6.920 1.00 0.00 H new ATOM 0 HG3 GLN A 22 21.009 -9.737 -5.209 1.00 0.00 H new ATOM 0 HE21 GLN A 22 22.446 -7.857 -6.968 1.00 0.00 H new ATOM 0 HE22 GLN A 22 24.153 -8.300 -6.857 1.00 0.00 H new ATOM 362 N VAL A 23 18.246 -11.115 -7.456 1.00 0.00 N ATOM 363 CA VAL A 23 17.016 -10.385 -7.701 1.00 0.00 C ATOM 364 C VAL A 23 16.652 -9.551 -6.482 1.00 0.00 C ATOM 365 O VAL A 23 16.554 -10.072 -5.369 1.00 0.00 O ATOM 366 CB VAL A 23 15.842 -11.337 -8.035 1.00 0.00 C ATOM 367 CG1 VAL A 23 14.585 -10.546 -8.373 1.00 0.00 C ATOM 368 CG2 VAL A 23 16.213 -12.268 -9.181 1.00 0.00 C ATOM 0 H VAL A 23 18.204 -11.752 -6.661 1.00 0.00 H new ATOM 0 HA VAL A 23 17.187 -9.736 -8.560 1.00 0.00 H new ATOM 0 HB VAL A 23 15.637 -11.944 -7.153 1.00 0.00 H new ATOM 0 HG11 VAL A 23 13.773 -11.235 -8.604 1.00 0.00 H new ATOM 0 HG12 VAL A 23 14.304 -9.927 -7.521 1.00 0.00 H new ATOM 0 HG13 VAL A 23 14.777 -9.909 -9.236 1.00 0.00 H new ATOM 0 HG21 VAL A 23 15.374 -12.928 -9.399 1.00 0.00 H new ATOM 0 HG22 VAL A 23 16.451 -11.678 -10.066 1.00 0.00 H new ATOM 0 HG23 VAL A 23 17.080 -12.865 -8.899 1.00 0.00 H new ATOM 378 N LEU A 24 16.483 -8.257 -6.687 1.00 0.00 N ATOM 379 CA LEU A 24 16.087 -7.366 -5.611 1.00 0.00 C ATOM 380 C LEU A 24 14.573 -7.321 -5.516 1.00 0.00 C ATOM 381 O LEU A 24 13.884 -7.448 -6.523 1.00 0.00 O ATOM 382 CB LEU A 24 16.640 -5.960 -5.849 1.00 0.00 C ATOM 383 CG LEU A 24 18.165 -5.862 -5.925 1.00 0.00 C ATOM 384 CD1 LEU A 24 18.595 -4.423 -6.159 1.00 0.00 C ATOM 385 CD2 LEU A 24 18.795 -6.410 -4.654 1.00 0.00 C ATOM 0 H LEU A 24 16.614 -7.799 -7.589 1.00 0.00 H new ATOM 0 HA LEU A 24 16.495 -7.743 -4.673 1.00 0.00 H new ATOM 0 HB2 LEU A 24 16.221 -5.575 -6.779 1.00 0.00 H new ATOM 0 HB3 LEU A 24 16.290 -5.309 -5.048 1.00 0.00 H new ATOM 0 HG LEU A 24 18.510 -6.463 -6.767 1.00 0.00 H new ATOM 0 HD11 LEU A 24 19.683 -4.372 -6.210 1.00 0.00 H new ATOM 0 HD12 LEU A 24 18.170 -4.064 -7.097 1.00 0.00 H new ATOM 0 HD13 LEU A 24 18.241 -3.799 -5.338 1.00 0.00 H new ATOM 0 HD21 LEU A 24 19.880 -6.333 -4.723 1.00 0.00 H new ATOM 0 HD22 LEU A 24 18.445 -5.835 -3.797 1.00 0.00 H new ATOM 0 HD23 LEU A 24 18.512 -7.455 -4.529 1.00 0.00 H new ATOM 397 N VAL A 25 14.057 -7.151 -4.311 1.00 0.00 N ATOM 398 CA VAL A 25 12.623 -7.103 -4.096 1.00 0.00 C ATOM 399 C VAL A 25 12.277 -5.925 -3.201 1.00 0.00 C ATOM 400 O VAL A 25 12.587 -5.917 -2.008 1.00 0.00 O ATOM 401 CB VAL A 25 12.079 -8.408 -3.468 1.00 0.00 C ATOM 402 CG1 VAL A 25 10.582 -8.296 -3.203 1.00 0.00 C ATOM 403 CG2 VAL A 25 12.371 -9.606 -4.363 1.00 0.00 C ATOM 0 H VAL A 25 14.614 -7.044 -3.463 1.00 0.00 H new ATOM 0 HA VAL A 25 12.152 -6.986 -5.072 1.00 0.00 H new ATOM 0 HB VAL A 25 12.588 -8.560 -2.516 1.00 0.00 H new ATOM 0 HG11 VAL A 25 10.220 -9.225 -2.761 1.00 0.00 H new ATOM 0 HG12 VAL A 25 10.395 -7.470 -2.516 1.00 0.00 H new ATOM 0 HG13 VAL A 25 10.059 -8.113 -4.142 1.00 0.00 H new ATOM 0 HG21 VAL A 25 11.979 -10.511 -3.899 1.00 0.00 H new ATOM 0 HG22 VAL A 25 11.896 -9.460 -5.333 1.00 0.00 H new ATOM 0 HG23 VAL A 25 13.448 -9.705 -4.498 1.00 0.00 H new ATOM 413 N PHE A 26 11.657 -4.926 -3.795 1.00 0.00 N ATOM 414 CA PHE A 26 11.273 -3.721 -3.088 1.00 0.00 C ATOM 415 C PHE A 26 9.757 -3.606 -3.082 1.00 0.00 C ATOM 416 O PHE A 26 9.078 -4.237 -3.889 1.00 0.00 O ATOM 417 CB PHE A 26 11.884 -2.487 -3.757 1.00 0.00 C ATOM 418 CG PHE A 26 13.386 -2.416 -3.681 1.00 0.00 C ATOM 419 CD1 PHE A 26 14.171 -3.083 -4.607 1.00 0.00 C ATOM 420 CD2 PHE A 26 14.013 -1.679 -2.686 1.00 0.00 C ATOM 421 CE1 PHE A 26 15.549 -3.016 -4.544 1.00 0.00 C ATOM 422 CE2 PHE A 26 15.390 -1.612 -2.618 1.00 0.00 C ATOM 423 CZ PHE A 26 16.160 -2.282 -3.548 1.00 0.00 C ATOM 0 H PHE A 26 11.405 -4.927 -4.783 1.00 0.00 H new ATOM 0 HA PHE A 26 11.643 -3.777 -2.064 1.00 0.00 H new ATOM 0 HB2 PHE A 26 11.585 -2.472 -4.805 1.00 0.00 H new ATOM 0 HB3 PHE A 26 11.467 -1.593 -3.293 1.00 0.00 H new ATOM 0 HD1 PHE A 26 13.700 -3.662 -5.387 1.00 0.00 H new ATOM 0 HD2 PHE A 26 13.416 -1.152 -1.956 1.00 0.00 H new ATOM 0 HE1 PHE A 26 16.149 -3.538 -5.275 1.00 0.00 H new ATOM 0 HE2 PHE A 26 15.865 -1.036 -1.838 1.00 0.00 H new ATOM 0 HZ PHE A 26 17.238 -2.232 -3.496 1.00 0.00 H new ATOM 433 N THR A 27 9.220 -2.837 -2.165 1.00 0.00 N ATOM 434 CA THR A 27 7.789 -2.616 -2.126 1.00 0.00 C ATOM 435 C THR A 27 7.492 -1.124 -2.118 1.00 0.00 C ATOM 436 O THR A 27 7.806 -0.419 -1.157 1.00 0.00 O ATOM 437 CB THR A 27 7.151 -3.272 -0.892 1.00 0.00 C ATOM 438 OG1 THR A 27 7.770 -4.545 -0.642 1.00 0.00 O ATOM 439 CG2 THR A 27 5.652 -3.461 -1.079 1.00 0.00 C ATOM 0 H THR A 27 9.747 -2.354 -1.437 1.00 0.00 H new ATOM 0 HA THR A 27 7.359 -3.073 -3.017 1.00 0.00 H new ATOM 0 HB THR A 27 7.308 -2.611 -0.039 1.00 0.00 H new ATOM 0 HG1 THR A 27 7.361 -4.958 0.147 1.00 0.00 H new ATOM 0 HG21 THR A 27 5.230 -3.927 -0.189 1.00 0.00 H new ATOM 0 HG22 THR A 27 5.180 -2.492 -1.239 1.00 0.00 H new ATOM 0 HG23 THR A 27 5.471 -4.100 -1.944 1.00 0.00 H new ATOM 447 N LEU A 28 6.897 -0.650 -3.193 1.00 0.00 N ATOM 448 CA LEU A 28 6.594 0.763 -3.343 1.00 0.00 C ATOM 449 C LEU A 28 5.170 0.934 -3.832 1.00 0.00 C ATOM 450 O LEU A 28 4.631 0.061 -4.508 1.00 0.00 O ATOM 451 CB LEU A 28 7.566 1.430 -4.321 1.00 0.00 C ATOM 452 CG LEU A 28 9.010 1.537 -3.835 1.00 0.00 C ATOM 453 CD1 LEU A 28 9.908 2.050 -4.946 1.00 0.00 C ATOM 454 CD2 LEU A 28 9.098 2.452 -2.623 1.00 0.00 C ATOM 0 H LEU A 28 6.610 -1.227 -3.984 1.00 0.00 H new ATOM 0 HA LEU A 28 6.703 1.244 -2.371 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.555 0.871 -5.256 1.00 0.00 H new ATOM 0 HB3 LEU A 28 7.200 2.432 -4.545 1.00 0.00 H new ATOM 0 HG LEU A 28 9.349 0.542 -3.545 1.00 0.00 H new ATOM 0 HD11 LEU A 28 10.933 2.120 -4.582 1.00 0.00 H new ATOM 0 HD12 LEU A 28 9.869 1.363 -5.792 1.00 0.00 H new ATOM 0 HD13 LEU A 28 9.567 3.036 -5.263 1.00 0.00 H new ATOM 0 HD21 LEU A 28 10.134 2.516 -2.290 1.00 0.00 H new ATOM 0 HD22 LEU A 28 8.740 3.446 -2.891 1.00 0.00 H new ATOM 0 HD23 LEU A 28 8.483 2.050 -1.818 1.00 0.00 H new ATOM 466 N PRO A 29 4.521 2.040 -3.456 1.00 0.00 N ATOM 467 CA PRO A 29 3.169 2.347 -3.915 1.00 0.00 C ATOM 468 C PRO A 29 3.127 2.553 -5.420 1.00 0.00 C ATOM 469 O PRO A 29 4.107 2.993 -6.022 1.00 0.00 O ATOM 470 CB PRO A 29 2.817 3.650 -3.188 1.00 0.00 C ATOM 471 CG PRO A 29 4.129 4.238 -2.795 1.00 0.00 C ATOM 472 CD PRO A 29 5.048 3.076 -2.556 1.00 0.00 C ATOM 0 HA PRO A 29 2.471 1.537 -3.704 1.00 0.00 H new ATOM 0 HB2 PRO A 29 2.260 4.326 -3.837 1.00 0.00 H new ATOM 0 HB3 PRO A 29 2.193 3.459 -2.315 1.00 0.00 H new ATOM 0 HG2 PRO A 29 4.517 4.887 -3.580 1.00 0.00 H new ATOM 0 HG3 PRO A 29 4.030 4.848 -1.897 1.00 0.00 H new ATOM 0 HD2 PRO A 29 6.083 3.326 -2.792 1.00 0.00 H new ATOM 0 HD3 PRO A 29 5.027 2.754 -1.515 1.00 0.00 H new ATOM 480 N LEU A 30 1.985 2.257 -6.018 1.00 0.00 N ATOM 481 CA LEU A 30 1.807 2.399 -7.460 1.00 0.00 C ATOM 482 C LEU A 30 1.951 3.865 -7.878 1.00 0.00 C ATOM 483 O LEU A 30 2.084 4.183 -9.060 1.00 0.00 O ATOM 484 CB LEU A 30 0.430 1.864 -7.858 1.00 0.00 C ATOM 485 CG LEU A 30 0.194 1.697 -9.358 1.00 0.00 C ATOM 486 CD1 LEU A 30 1.191 0.714 -9.944 1.00 0.00 C ATOM 487 CD2 LEU A 30 -1.227 1.228 -9.627 1.00 0.00 C ATOM 0 H LEU A 30 1.160 1.914 -5.526 1.00 0.00 H new ATOM 0 HA LEU A 30 2.578 1.824 -7.972 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.282 0.898 -7.376 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.330 2.538 -7.462 1.00 0.00 H new ATOM 0 HG LEU A 30 0.335 2.666 -9.837 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.010 0.606 -11.013 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.204 1.084 -9.783 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.076 -0.254 -9.457 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.376 1.115 -10.701 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.393 0.270 -9.135 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -1.932 1.963 -9.238 1.00 0.00 H new ATOM 499 N THR A 31 1.946 4.747 -6.889 1.00 0.00 N ATOM 500 CA THR A 31 2.006 6.175 -7.127 1.00 0.00 C ATOM 501 C THR A 31 3.435 6.647 -7.394 1.00 0.00 C ATOM 502 O THR A 31 3.636 7.733 -7.940 1.00 0.00 O ATOM 503 CB THR A 31 1.407 6.948 -5.937 1.00 0.00 C ATOM 504 OG1 THR A 31 2.162 6.696 -4.743 1.00 0.00 O ATOM 505 CG2 THR A 31 -0.033 6.528 -5.706 1.00 0.00 C ATOM 0 H THR A 31 1.900 4.490 -5.903 1.00 0.00 H new ATOM 0 HA THR A 31 1.415 6.380 -8.020 1.00 0.00 H new ATOM 0 HB THR A 31 1.445 8.011 -6.173 1.00 0.00 H new ATOM 0 HG1 THR A 31 1.770 7.195 -3.997 1.00 0.00 H new ATOM 0 HG21 THR A 31 -0.443 7.083 -4.862 1.00 0.00 H new ATOM 0 HG22 THR A 31 -0.621 6.739 -6.599 1.00 0.00 H new ATOM 0 HG23 THR A 31 -0.070 5.460 -5.491 1.00 0.00 H new ATOM 513 N ASP A 32 4.425 5.837 -7.013 1.00 0.00 N ATOM 514 CA ASP A 32 5.824 6.171 -7.292 1.00 0.00 C ATOM 515 C ASP A 32 6.154 5.934 -8.759 1.00 0.00 C ATOM 516 O ASP A 32 5.274 5.630 -9.571 1.00 0.00 O ATOM 517 CB ASP A 32 6.796 5.382 -6.398 1.00 0.00 C ATOM 518 CG ASP A 32 7.017 6.044 -5.052 1.00 0.00 C ATOM 519 OD1 ASP A 32 6.027 6.345 -4.359 1.00 0.00 O ATOM 520 OD2 ASP A 32 8.186 6.283 -4.684 1.00 0.00 O ATOM 0 H ASP A 32 4.288 4.956 -6.517 1.00 0.00 H new ATOM 0 HA ASP A 32 5.949 7.230 -7.065 1.00 0.00 H new ATOM 0 HB2 ASP A 32 6.407 4.375 -6.244 1.00 0.00 H new ATOM 0 HB3 ASP A 32 7.753 5.279 -6.910 1.00 0.00 H new ATOM 525 N GLN A 33 7.422 6.068 -9.106 1.00 0.00 N ATOM 526 CA GLN A 33 7.826 6.013 -10.498 1.00 0.00 C ATOM 527 C GLN A 33 9.183 5.353 -10.672 1.00 0.00 C ATOM 528 O GLN A 33 9.859 5.019 -9.697 1.00 0.00 O ATOM 529 CB GLN A 33 7.852 7.421 -11.107 1.00 0.00 C ATOM 530 CG GLN A 33 8.610 8.448 -10.273 1.00 0.00 C ATOM 531 CD GLN A 33 7.795 9.021 -9.125 1.00 0.00 C ATOM 532 OE1 GLN A 33 8.335 9.339 -8.068 1.00 0.00 O ATOM 533 NE2 GLN A 33 6.498 9.196 -9.337 1.00 0.00 N ATOM 0 H GLN A 33 8.186 6.215 -8.446 1.00 0.00 H new ATOM 0 HA GLN A 33 7.088 5.405 -11.021 1.00 0.00 H new ATOM 0 HB2 GLN A 33 8.304 7.368 -12.097 1.00 0.00 H new ATOM 0 HB3 GLN A 33 6.827 7.765 -11.243 1.00 0.00 H new ATOM 0 HG2 GLN A 33 9.511 7.984 -9.872 1.00 0.00 H new ATOM 0 HG3 GLN A 33 8.933 9.263 -10.921 1.00 0.00 H new ATOM 0 HE21 GLN A 33 6.085 8.920 -10.228 1.00 0.00 H new ATOM 0 HE22 GLN A 33 5.913 9.607 -8.609 1.00 0.00 H new ATOM 542 N VAL A 34 9.577 5.194 -11.930 1.00 0.00 N ATOM 543 CA VAL A 34 10.835 4.544 -12.271 1.00 0.00 C ATOM 544 C VAL A 34 12.019 5.364 -11.765 1.00 0.00 C ATOM 545 O VAL A 34 13.092 4.823 -11.498 1.00 0.00 O ATOM 546 CB VAL A 34 10.970 4.338 -13.795 1.00 0.00 C ATOM 547 CG1 VAL A 34 12.206 3.518 -14.127 1.00 0.00 C ATOM 548 CG2 VAL A 34 9.721 3.682 -14.361 1.00 0.00 C ATOM 0 H VAL A 34 9.038 5.510 -12.736 1.00 0.00 H new ATOM 0 HA VAL A 34 10.836 3.568 -11.787 1.00 0.00 H new ATOM 0 HB VAL A 34 11.082 5.318 -14.259 1.00 0.00 H new ATOM 0 HG11 VAL A 34 12.277 3.388 -15.207 1.00 0.00 H new ATOM 0 HG12 VAL A 34 13.094 4.036 -13.765 1.00 0.00 H new ATOM 0 HG13 VAL A 34 12.134 2.542 -13.648 1.00 0.00 H new ATOM 0 HG21 VAL A 34 9.837 3.546 -15.436 1.00 0.00 H new ATOM 0 HG22 VAL A 34 9.573 2.712 -13.886 1.00 0.00 H new ATOM 0 HG23 VAL A 34 8.857 4.317 -14.167 1.00 0.00 H new ATOM 558 N SER A 35 11.811 6.670 -11.633 1.00 0.00 N ATOM 559 CA SER A 35 12.817 7.569 -11.066 1.00 0.00 C ATOM 560 C SER A 35 13.315 7.061 -9.708 1.00 0.00 C ATOM 561 O SER A 35 14.484 7.232 -9.362 1.00 0.00 O ATOM 562 CB SER A 35 12.236 8.972 -10.909 1.00 0.00 C ATOM 563 OG SER A 35 11.589 9.388 -12.096 1.00 0.00 O ATOM 0 H SER A 35 10.948 7.135 -11.913 1.00 0.00 H new ATOM 0 HA SER A 35 13.664 7.599 -11.751 1.00 0.00 H new ATOM 0 HB2 SER A 35 11.528 8.986 -10.081 1.00 0.00 H new ATOM 0 HB3 SER A 35 13.032 9.673 -10.659 1.00 0.00 H new ATOM 0 HG SER A 35 12.254 9.733 -12.728 1.00 0.00 H new ATOM 569 N VAL A 36 12.429 6.430 -8.947 1.00 0.00 N ATOM 570 CA VAL A 36 12.785 5.883 -7.652 1.00 0.00 C ATOM 571 C VAL A 36 13.631 4.626 -7.820 1.00 0.00 C ATOM 572 O VAL A 36 14.528 4.352 -7.024 1.00 0.00 O ATOM 573 CB VAL A 36 11.515 5.551 -6.847 1.00 0.00 C ATOM 574 CG1 VAL A 36 11.855 5.221 -5.410 1.00 0.00 C ATOM 575 CG2 VAL A 36 10.522 6.701 -6.917 1.00 0.00 C ATOM 0 H VAL A 36 11.454 6.286 -9.210 1.00 0.00 H new ATOM 0 HA VAL A 36 13.366 6.630 -7.111 1.00 0.00 H new ATOM 0 HB VAL A 36 11.052 4.670 -7.292 1.00 0.00 H new ATOM 0 HG11 VAL A 36 10.941 4.990 -4.863 1.00 0.00 H new ATOM 0 HG12 VAL A 36 12.521 4.359 -5.383 1.00 0.00 H new ATOM 0 HG13 VAL A 36 12.348 6.076 -4.947 1.00 0.00 H new ATOM 0 HG21 VAL A 36 9.631 6.448 -6.342 1.00 0.00 H new ATOM 0 HG22 VAL A 36 10.977 7.601 -6.503 1.00 0.00 H new ATOM 0 HG23 VAL A 36 10.245 6.880 -7.956 1.00 0.00 H new ATOM 585 N ILE A 37 13.350 3.874 -8.873 1.00 0.00 N ATOM 586 CA ILE A 37 14.082 2.643 -9.148 1.00 0.00 C ATOM 587 C ILE A 37 15.512 2.952 -9.587 1.00 0.00 C ATOM 588 O ILE A 37 16.466 2.382 -9.063 1.00 0.00 O ATOM 589 CB ILE A 37 13.393 1.788 -10.242 1.00 0.00 C ATOM 590 CG1 ILE A 37 11.887 1.657 -9.967 1.00 0.00 C ATOM 591 CG2 ILE A 37 14.046 0.416 -10.336 1.00 0.00 C ATOM 592 CD1 ILE A 37 11.543 1.056 -8.619 1.00 0.00 C ATOM 0 H ILE A 37 12.621 4.093 -9.552 1.00 0.00 H new ATOM 0 HA ILE A 37 14.094 2.072 -8.220 1.00 0.00 H new ATOM 0 HB ILE A 37 13.517 2.294 -11.199 1.00 0.00 H new ATOM 0 HG12 ILE A 37 11.431 2.644 -10.037 1.00 0.00 H new ATOM 0 HG13 ILE A 37 11.440 1.043 -10.749 1.00 0.00 H new ATOM 0 HG21 ILE A 37 13.550 -0.171 -11.109 1.00 0.00 H new ATOM 0 HG22 ILE A 37 15.100 0.531 -10.588 1.00 0.00 H new ATOM 0 HG23 ILE A 37 13.956 -0.096 -9.378 1.00 0.00 H new ATOM 0 HD11 ILE A 37 10.460 1.002 -8.511 1.00 0.00 H new ATOM 0 HD12 ILE A 37 11.966 0.054 -8.549 1.00 0.00 H new ATOM 0 HD13 ILE A 37 11.956 1.680 -7.826 1.00 0.00 H new ATOM 604 N LYS A 38 15.658 3.871 -10.533 1.00 0.00 N ATOM 605 CA LYS A 38 16.976 4.226 -11.052 1.00 0.00 C ATOM 606 C LYS A 38 17.882 4.785 -9.957 1.00 0.00 C ATOM 607 O LYS A 38 19.078 4.492 -9.922 1.00 0.00 O ATOM 608 CB LYS A 38 16.865 5.245 -12.189 1.00 0.00 C ATOM 609 CG LYS A 38 15.928 6.401 -11.889 1.00 0.00 C ATOM 610 CD LYS A 38 16.389 7.705 -12.522 1.00 0.00 C ATOM 611 CE LYS A 38 17.663 8.225 -11.866 1.00 0.00 C ATOM 612 NZ LYS A 38 18.016 9.593 -12.334 1.00 0.00 N ATOM 0 H LYS A 38 14.884 4.383 -10.956 1.00 0.00 H new ATOM 0 HA LYS A 38 17.421 3.308 -11.436 1.00 0.00 H new ATOM 0 HB2 LYS A 38 17.857 5.641 -12.407 1.00 0.00 H new ATOM 0 HB3 LYS A 38 16.521 4.735 -13.089 1.00 0.00 H new ATOM 0 HG2 LYS A 38 14.929 6.158 -12.252 1.00 0.00 H new ATOM 0 HG3 LYS A 38 15.852 6.532 -10.810 1.00 0.00 H new ATOM 0 HD2 LYS A 38 16.563 7.552 -13.587 1.00 0.00 H new ATOM 0 HD3 LYS A 38 15.601 8.453 -12.432 1.00 0.00 H new ATOM 0 HE2 LYS A 38 17.535 8.235 -10.784 1.00 0.00 H new ATOM 0 HE3 LYS A 38 18.486 7.544 -12.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 18.888 9.907 -11.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 18.164 9.580 -13.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 17.243 10.249 -12.104 1.00 0.00 H new ATOM 626 N VAL A 39 17.319 5.592 -9.065 1.00 0.00 N ATOM 627 CA VAL A 39 18.116 6.217 -8.022 1.00 0.00 C ATOM 628 C VAL A 39 18.501 5.204 -6.944 1.00 0.00 C ATOM 629 O VAL A 39 19.627 5.223 -6.445 1.00 0.00 O ATOM 630 CB VAL A 39 17.398 7.435 -7.390 1.00 0.00 C ATOM 631 CG1 VAL A 39 16.134 7.021 -6.653 1.00 0.00 C ATOM 632 CG2 VAL A 39 18.338 8.195 -6.467 1.00 0.00 C ATOM 0 H VAL A 39 16.326 5.825 -9.044 1.00 0.00 H new ATOM 0 HA VAL A 39 19.026 6.584 -8.496 1.00 0.00 H new ATOM 0 HB VAL A 39 17.101 8.099 -8.202 1.00 0.00 H new ATOM 0 HG11 VAL A 39 15.658 7.902 -6.223 1.00 0.00 H new ATOM 0 HG12 VAL A 39 15.447 6.541 -7.350 1.00 0.00 H new ATOM 0 HG13 VAL A 39 16.390 6.322 -5.857 1.00 0.00 H new ATOM 0 HG21 VAL A 39 17.813 9.046 -6.034 1.00 0.00 H new ATOM 0 HG22 VAL A 39 18.678 7.534 -5.669 1.00 0.00 H new ATOM 0 HG23 VAL A 39 19.198 8.550 -7.035 1.00 0.00 H new ATOM 642 N LYS A 40 17.584 4.298 -6.612 1.00 0.00 N ATOM 643 CA LYS A 40 17.854 3.309 -5.573 1.00 0.00 C ATOM 644 C LYS A 40 18.936 2.328 -6.020 1.00 0.00 C ATOM 645 O LYS A 40 19.771 1.913 -5.219 1.00 0.00 O ATOM 646 CB LYS A 40 16.576 2.565 -5.150 1.00 0.00 C ATOM 647 CG LYS A 40 15.945 1.686 -6.204 1.00 0.00 C ATOM 648 CD LYS A 40 14.764 0.913 -5.634 1.00 0.00 C ATOM 649 CE LYS A 40 13.682 1.831 -5.064 1.00 0.00 C ATOM 650 NZ LYS A 40 14.057 2.456 -3.760 1.00 0.00 N ATOM 0 H LYS A 40 16.661 4.228 -7.040 1.00 0.00 H new ATOM 0 HA LYS A 40 18.222 3.846 -4.699 1.00 0.00 H new ATOM 0 HB2 LYS A 40 16.808 1.948 -4.282 1.00 0.00 H new ATOM 0 HB3 LYS A 40 15.839 3.302 -4.830 1.00 0.00 H new ATOM 0 HG2 LYS A 40 15.613 2.298 -7.042 1.00 0.00 H new ATOM 0 HG3 LYS A 40 16.687 0.989 -6.593 1.00 0.00 H new ATOM 0 HD2 LYS A 40 14.331 0.289 -6.416 1.00 0.00 H new ATOM 0 HD3 LYS A 40 15.117 0.243 -4.850 1.00 0.00 H new ATOM 0 HE2 LYS A 40 13.467 2.618 -5.787 1.00 0.00 H new ATOM 0 HE3 LYS A 40 12.763 1.259 -4.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 13.225 2.483 -3.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 14.809 1.896 -3.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 14.398 3.425 -3.925 1.00 0.00 H new ATOM 664 N ILE A 41 18.941 1.981 -7.302 1.00 0.00 N ATOM 665 CA ILE A 41 19.962 1.088 -7.837 1.00 0.00 C ATOM 666 C ILE A 41 21.315 1.789 -7.885 1.00 0.00 C ATOM 667 O ILE A 41 22.340 1.210 -7.525 1.00 0.00 O ATOM 668 CB ILE A 41 19.591 0.587 -9.240 1.00 0.00 C ATOM 669 CG1 ILE A 41 18.261 -0.151 -9.186 1.00 0.00 C ATOM 670 CG2 ILE A 41 20.683 -0.319 -9.799 1.00 0.00 C ATOM 671 CD1 ILE A 41 17.686 -0.432 -10.546 1.00 0.00 C ATOM 0 H ILE A 41 18.255 2.301 -7.986 1.00 0.00 H new ATOM 0 HA ILE A 41 20.025 0.228 -7.170 1.00 0.00 H new ATOM 0 HB ILE A 41 19.495 1.446 -9.905 1.00 0.00 H new ATOM 0 HG12 ILE A 41 18.396 -1.093 -8.654 1.00 0.00 H new ATOM 0 HG13 ILE A 41 17.548 0.440 -8.612 1.00 0.00 H new ATOM 0 HG21 ILE A 41 20.398 -0.662 -10.794 1.00 0.00 H new ATOM 0 HG22 ILE A 41 21.619 0.235 -9.861 1.00 0.00 H new ATOM 0 HG23 ILE A 41 20.813 -1.179 -9.143 1.00 0.00 H new ATOM 0 HD11 ILE A 41 16.738 -0.960 -10.438 1.00 0.00 H new ATOM 0 HD12 ILE A 41 17.520 0.508 -11.072 1.00 0.00 H new ATOM 0 HD13 ILE A 41 18.382 -1.048 -11.115 1.00 0.00 H new ATOM 683 N HIS A 42 21.302 3.043 -8.318 1.00 0.00 N ATOM 684 CA HIS A 42 22.514 3.859 -8.359 1.00 0.00 C ATOM 685 C HIS A 42 23.153 3.973 -6.972 1.00 0.00 C ATOM 686 O HIS A 42 24.370 4.058 -6.850 1.00 0.00 O ATOM 687 CB HIS A 42 22.200 5.256 -8.929 1.00 0.00 C ATOM 688 CG HIS A 42 23.303 6.264 -8.745 1.00 0.00 C ATOM 689 ND1 HIS A 42 24.570 6.109 -9.269 1.00 0.00 N ATOM 690 CD2 HIS A 42 23.319 7.446 -8.082 1.00 0.00 C ATOM 691 CE1 HIS A 42 25.315 7.148 -8.936 1.00 0.00 C ATOM 692 NE2 HIS A 42 24.580 7.971 -8.215 1.00 0.00 N ATOM 0 H HIS A 42 20.463 3.521 -8.647 1.00 0.00 H new ATOM 0 HA HIS A 42 23.231 3.367 -9.016 1.00 0.00 H new ATOM 0 HB2 HIS A 42 21.985 5.161 -9.993 1.00 0.00 H new ATOM 0 HB3 HIS A 42 21.295 5.634 -8.453 1.00 0.00 H new ATOM 0 HD2 HIS A 42 22.493 7.892 -7.548 1.00 0.00 H new ATOM 0 HE1 HIS A 42 26.349 7.297 -9.208 1.00 0.00 H new ATOM 0 HE2 HIS A 42 24.897 8.856 -7.819 1.00 0.00 H new ATOM 701 N GLU A 43 22.337 3.967 -5.932 1.00 0.00 N ATOM 702 CA GLU A 43 22.844 4.089 -4.570 1.00 0.00 C ATOM 703 C GLU A 43 23.186 2.726 -3.989 1.00 0.00 C ATOM 704 O GLU A 43 24.014 2.611 -3.084 1.00 0.00 O ATOM 705 CB GLU A 43 21.826 4.794 -3.676 1.00 0.00 C ATOM 706 CG GLU A 43 21.639 6.263 -4.010 1.00 0.00 C ATOM 707 CD GLU A 43 22.933 7.046 -3.922 1.00 0.00 C ATOM 708 OE1 GLU A 43 23.404 7.303 -2.798 1.00 0.00 O ATOM 709 OE2 GLU A 43 23.488 7.407 -4.979 1.00 0.00 O ATOM 0 H GLU A 43 21.323 3.879 -6.001 1.00 0.00 H new ATOM 0 HA GLU A 43 23.754 4.687 -4.609 1.00 0.00 H new ATOM 0 HB2 GLU A 43 20.866 4.285 -3.762 1.00 0.00 H new ATOM 0 HB3 GLU A 43 22.143 4.704 -2.637 1.00 0.00 H new ATOM 0 HG2 GLU A 43 21.230 6.355 -5.016 1.00 0.00 H new ATOM 0 HG3 GLU A 43 20.908 6.697 -3.328 1.00 0.00 H new ATOM 716 N ALA A 44 22.538 1.697 -4.507 1.00 0.00 N ATOM 717 CA ALA A 44 22.750 0.345 -4.019 1.00 0.00 C ATOM 718 C ALA A 44 23.976 -0.299 -4.662 1.00 0.00 C ATOM 719 O ALA A 44 24.803 -0.893 -3.976 1.00 0.00 O ATOM 720 CB ALA A 44 21.517 -0.501 -4.273 1.00 0.00 C ATOM 0 H ALA A 44 21.860 1.772 -5.266 1.00 0.00 H new ATOM 0 HA ALA A 44 22.931 0.402 -2.946 1.00 0.00 H new ATOM 0 HB1 ALA A 44 21.687 -1.512 -3.903 1.00 0.00 H new ATOM 0 HB2 ALA A 44 20.663 -0.064 -3.755 1.00 0.00 H new ATOM 0 HB3 ALA A 44 21.314 -0.535 -5.343 1.00 0.00 H new ATOM 726 N THR A 45 24.074 -0.198 -5.979 1.00 0.00 N ATOM 727 CA THR A 45 25.171 -0.810 -6.712 1.00 0.00 C ATOM 728 C THR A 45 26.252 0.221 -7.023 1.00 0.00 C ATOM 729 O THR A 45 27.443 -0.033 -6.849 1.00 0.00 O ATOM 730 CB THR A 45 24.673 -1.451 -8.031 1.00 0.00 C ATOM 731 OG1 THR A 45 24.566 -0.465 -9.065 1.00 0.00 O ATOM 732 CG2 THR A 45 23.305 -2.076 -7.835 1.00 0.00 C ATOM 0 H THR A 45 23.405 0.304 -6.563 1.00 0.00 H new ATOM 0 HA THR A 45 25.592 -1.592 -6.080 1.00 0.00 H new ATOM 0 HB THR A 45 25.397 -2.214 -8.318 1.00 0.00 H new ATOM 0 HG1 THR A 45 23.945 0.239 -8.783 1.00 0.00 H new ATOM 0 HG21 THR A 45 22.971 -2.522 -8.772 1.00 0.00 H new ATOM 0 HG22 THR A 45 23.364 -2.847 -7.067 1.00 0.00 H new ATOM 0 HG23 THR A 45 22.596 -1.309 -7.525 1.00 0.00 H new ATOM 740 N GLY A 46 25.816 1.385 -7.481 1.00 0.00 N ATOM 741 CA GLY A 46 26.734 2.449 -7.818 1.00 0.00 C ATOM 742 C GLY A 46 26.484 2.990 -9.209 1.00 0.00 C ATOM 743 O GLY A 46 26.861 4.118 -9.523 1.00 0.00 O ATOM 0 H GLY A 46 24.832 1.611 -7.626 1.00 0.00 H new ATOM 0 HA2 GLY A 46 26.637 3.256 -7.092 1.00 0.00 H new ATOM 0 HA3 GLY A 46 27.758 2.081 -7.750 1.00 0.00 H new ATOM 747 N MET A 47 25.817 2.198 -10.037 1.00 0.00 N ATOM 748 CA MET A 47 25.614 2.555 -11.439 1.00 0.00 C ATOM 749 C MET A 47 24.501 3.591 -11.601 1.00 0.00 C ATOM 750 O MET A 47 23.358 3.368 -11.205 1.00 0.00 O ATOM 751 CB MET A 47 25.300 1.304 -12.268 1.00 0.00 C ATOM 752 CG MET A 47 23.969 0.655 -11.924 1.00 0.00 C ATOM 753 SD MET A 47 23.868 -1.080 -12.418 1.00 0.00 S ATOM 754 CE MET A 47 23.910 -0.953 -14.202 1.00 0.00 C ATOM 0 H MET A 47 25.407 1.305 -9.765 1.00 0.00 H new ATOM 0 HA MET A 47 26.539 3.001 -11.804 1.00 0.00 H new ATOM 0 HB2 MET A 47 25.301 1.571 -13.325 1.00 0.00 H new ATOM 0 HB3 MET A 47 26.097 0.575 -12.123 1.00 0.00 H new ATOM 0 HG2 MET A 47 23.804 0.729 -10.849 1.00 0.00 H new ATOM 0 HG3 MET A 47 23.166 1.211 -12.409 1.00 0.00 H new ATOM 0 HE1 MET A 47 24.529 -1.753 -14.609 1.00 0.00 H new ATOM 0 HE2 MET A 47 22.898 -1.040 -14.597 1.00 0.00 H new ATOM 0 HE3 MET A 47 24.329 0.012 -14.488 1.00 0.00 H new ATOM 764 N PRO A 48 24.836 4.755 -12.160 1.00 0.00 N ATOM 765 CA PRO A 48 23.852 5.791 -12.465 1.00 0.00 C ATOM 766 C PRO A 48 22.894 5.355 -13.570 1.00 0.00 C ATOM 767 O PRO A 48 23.206 4.462 -14.361 1.00 0.00 O ATOM 768 CB PRO A 48 24.696 6.984 -12.923 1.00 0.00 C ATOM 769 CG PRO A 48 26.017 6.416 -13.315 1.00 0.00 C ATOM 770 CD PRO A 48 26.204 5.155 -12.519 1.00 0.00 C ATOM 0 HA PRO A 48 23.222 6.019 -11.605 1.00 0.00 H new ATOM 0 HB2 PRO A 48 24.226 7.497 -13.762 1.00 0.00 H new ATOM 0 HB3 PRO A 48 24.806 7.716 -12.123 1.00 0.00 H new ATOM 0 HG2 PRO A 48 26.045 6.205 -14.384 1.00 0.00 H new ATOM 0 HG3 PRO A 48 26.819 7.125 -13.109 1.00 0.00 H new ATOM 0 HD2 PRO A 48 26.705 4.384 -13.105 1.00 0.00 H new ATOM 0 HD3 PRO A 48 26.814 5.329 -11.633 1.00 0.00 H new ATOM 778 N ALA A 49 21.739 6.004 -13.632 1.00 0.00 N ATOM 779 CA ALA A 49 20.712 5.672 -14.616 1.00 0.00 C ATOM 780 C ALA A 49 21.173 5.987 -16.034 1.00 0.00 C ATOM 781 O ALA A 49 20.528 5.596 -17.008 1.00 0.00 O ATOM 782 CB ALA A 49 19.438 6.437 -14.313 1.00 0.00 C ATOM 0 H ALA A 49 21.487 6.770 -13.008 1.00 0.00 H new ATOM 0 HA ALA A 49 20.523 4.601 -14.551 1.00 0.00 H new ATOM 0 HB1 ALA A 49 18.677 6.184 -15.051 1.00 0.00 H new ATOM 0 HB2 ALA A 49 19.081 6.170 -13.318 1.00 0.00 H new ATOM 0 HB3 ALA A 49 19.639 7.508 -14.351 1.00 0.00 H new ATOM 788 N GLY A 50 22.286 6.707 -16.139 1.00 0.00 N ATOM 789 CA GLY A 50 22.837 7.062 -17.432 1.00 0.00 C ATOM 790 C GLY A 50 23.135 5.852 -18.286 1.00 0.00 C ATOM 791 O GLY A 50 23.049 5.908 -19.512 1.00 0.00 O ATOM 0 H GLY A 50 22.820 7.053 -15.342 1.00 0.00 H new ATOM 0 HA2 GLY A 50 22.135 7.709 -17.957 1.00 0.00 H new ATOM 0 HA3 GLY A 50 23.753 7.636 -17.288 1.00 0.00 H new ATOM 795 N LYS A 51 23.466 4.747 -17.635 1.00 0.00 N ATOM 796 CA LYS A 51 23.834 3.531 -18.343 1.00 0.00 C ATOM 797 C LYS A 51 23.070 2.339 -17.783 1.00 0.00 C ATOM 798 O LYS A 51 23.229 1.218 -18.242 1.00 0.00 O ATOM 799 CB LYS A 51 25.344 3.255 -18.256 1.00 0.00 C ATOM 800 CG LYS A 51 26.191 4.383 -17.664 1.00 0.00 C ATOM 801 CD LYS A 51 26.031 4.487 -16.151 1.00 0.00 C ATOM 802 CE LYS A 51 26.169 3.140 -15.483 1.00 0.00 C ATOM 803 NZ LYS A 51 27.503 2.530 -15.742 1.00 0.00 N ATOM 0 H LYS A 51 23.487 4.668 -16.618 1.00 0.00 H new ATOM 0 HA LYS A 51 23.573 3.676 -19.391 1.00 0.00 H new ATOM 0 HB2 LYS A 51 25.497 2.358 -17.656 1.00 0.00 H new ATOM 0 HB3 LYS A 51 25.713 3.036 -19.258 1.00 0.00 H new ATOM 0 HG2 LYS A 51 27.240 4.213 -17.906 1.00 0.00 H new ATOM 0 HG3 LYS A 51 25.906 5.329 -18.124 1.00 0.00 H new ATOM 0 HD2 LYS A 51 26.780 5.170 -15.752 1.00 0.00 H new ATOM 0 HD3 LYS A 51 25.055 4.912 -15.916 1.00 0.00 H new ATOM 0 HE2 LYS A 51 26.022 3.250 -14.409 1.00 0.00 H new ATOM 0 HE3 LYS A 51 25.387 2.472 -15.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 27.592 1.647 -15.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 27.599 2.324 -16.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 28.250 3.192 -15.451 1.00 0.00 H new ATOM 817 N GLN A 52 22.254 2.590 -16.781 1.00 0.00 N ATOM 818 CA GLN A 52 21.466 1.551 -16.149 1.00 0.00 C ATOM 819 C GLN A 52 20.034 1.600 -16.675 1.00 0.00 C ATOM 820 O GLN A 52 19.401 2.654 -16.681 1.00 0.00 O ATOM 821 CB GLN A 52 21.568 1.735 -14.632 1.00 0.00 C ATOM 822 CG GLN A 52 20.317 1.427 -13.828 1.00 0.00 C ATOM 823 CD GLN A 52 19.592 2.675 -13.378 1.00 0.00 C ATOM 824 OE1 GLN A 52 18.612 3.099 -13.979 1.00 0.00 O ATOM 825 NE2 GLN A 52 20.135 3.322 -12.367 1.00 0.00 N ATOM 0 H GLN A 52 22.118 3.519 -16.381 1.00 0.00 H new ATOM 0 HA GLN A 52 21.841 0.556 -16.389 1.00 0.00 H new ATOM 0 HB2 GLN A 52 22.375 1.101 -14.265 1.00 0.00 H new ATOM 0 HB3 GLN A 52 21.857 2.767 -14.432 1.00 0.00 H new ATOM 0 HG2 GLN A 52 19.643 0.818 -14.431 1.00 0.00 H new ATOM 0 HG3 GLN A 52 20.588 0.834 -12.954 1.00 0.00 H new ATOM 0 HE21 GLN A 52 20.951 2.935 -11.893 1.00 0.00 H new ATOM 0 HE22 GLN A 52 19.739 4.210 -12.058 1.00 0.00 H new ATOM 834 N LYS A 53 19.562 0.471 -17.185 1.00 0.00 N ATOM 835 CA LYS A 53 18.239 0.395 -17.788 1.00 0.00 C ATOM 836 C LYS A 53 17.337 -0.543 -17.005 1.00 0.00 C ATOM 837 O LYS A 53 17.782 -1.579 -16.508 1.00 0.00 O ATOM 838 CB LYS A 53 18.337 -0.099 -19.236 1.00 0.00 C ATOM 839 CG LYS A 53 19.164 0.789 -20.157 1.00 0.00 C ATOM 840 CD LYS A 53 18.362 1.958 -20.721 1.00 0.00 C ATOM 841 CE LYS A 53 18.036 3.007 -19.665 1.00 0.00 C ATOM 842 NZ LYS A 53 17.437 4.231 -20.260 1.00 0.00 N ATOM 0 H LYS A 53 20.078 -0.409 -17.193 1.00 0.00 H new ATOM 0 HA LYS A 53 17.811 1.397 -17.771 1.00 0.00 H new ATOM 0 HB2 LYS A 53 18.768 -1.100 -19.236 1.00 0.00 H new ATOM 0 HB3 LYS A 53 17.330 -0.186 -19.645 1.00 0.00 H new ATOM 0 HG2 LYS A 53 20.024 1.174 -19.609 1.00 0.00 H new ATOM 0 HG3 LYS A 53 19.553 0.190 -20.980 1.00 0.00 H new ATOM 0 HD2 LYS A 53 18.925 2.424 -21.529 1.00 0.00 H new ATOM 0 HD3 LYS A 53 17.435 1.583 -21.154 1.00 0.00 H new ATOM 0 HE2 LYS A 53 17.346 2.584 -18.935 1.00 0.00 H new ATOM 0 HE3 LYS A 53 18.945 3.274 -19.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 17.231 4.918 -19.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 18.105 4.650 -20.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 16.555 3.982 -20.752 1.00 0.00 H new ATOM 856 N LEU A 54 16.070 -0.176 -16.908 1.00 0.00 N ATOM 857 CA LEU A 54 15.085 -0.999 -16.229 1.00 0.00 C ATOM 858 C LEU A 54 14.086 -1.537 -17.241 1.00 0.00 C ATOM 859 O LEU A 54 13.383 -0.775 -17.903 1.00 0.00 O ATOM 860 CB LEU A 54 14.346 -0.204 -15.140 1.00 0.00 C ATOM 861 CG LEU A 54 15.215 0.430 -14.048 1.00 0.00 C ATOM 862 CD1 LEU A 54 16.279 -0.546 -13.574 1.00 0.00 C ATOM 863 CD2 LEU A 54 15.847 1.726 -14.533 1.00 0.00 C ATOM 0 H LEU A 54 15.698 0.692 -17.294 1.00 0.00 H new ATOM 0 HA LEU A 54 15.606 -1.827 -15.747 1.00 0.00 H new ATOM 0 HB2 LEU A 54 13.775 0.588 -15.624 1.00 0.00 H new ATOM 0 HB3 LEU A 54 13.627 -0.869 -14.661 1.00 0.00 H new ATOM 0 HG LEU A 54 14.570 0.670 -13.203 1.00 0.00 H new ATOM 0 HD11 LEU A 54 16.885 -0.076 -12.799 1.00 0.00 H new ATOM 0 HD12 LEU A 54 15.800 -1.438 -13.169 1.00 0.00 H new ATOM 0 HD13 LEU A 54 16.916 -0.825 -14.413 1.00 0.00 H new ATOM 0 HD21 LEU A 54 16.458 2.153 -13.737 1.00 0.00 H new ATOM 0 HD22 LEU A 54 16.473 1.523 -15.402 1.00 0.00 H new ATOM 0 HD23 LEU A 54 15.064 2.432 -14.808 1.00 0.00 H new ATOM 875 N GLN A 55 14.039 -2.845 -17.376 1.00 0.00 N ATOM 876 CA GLN A 55 13.139 -3.479 -18.322 1.00 0.00 C ATOM 877 C GLN A 55 11.978 -4.157 -17.603 1.00 0.00 C ATOM 878 O GLN A 55 12.163 -5.134 -16.887 1.00 0.00 O ATOM 879 CB GLN A 55 13.904 -4.491 -19.167 1.00 0.00 C ATOM 880 CG GLN A 55 13.010 -5.442 -19.940 1.00 0.00 C ATOM 881 CD GLN A 55 13.792 -6.487 -20.704 1.00 0.00 C ATOM 882 OE1 GLN A 55 14.102 -7.552 -20.180 1.00 0.00 O ATOM 883 NE2 GLN A 55 14.094 -6.197 -21.956 1.00 0.00 N ATOM 0 H GLN A 55 14.615 -3.495 -16.841 1.00 0.00 H new ATOM 0 HA GLN A 55 12.726 -2.709 -18.974 1.00 0.00 H new ATOM 0 HB2 GLN A 55 14.543 -3.955 -19.869 1.00 0.00 H new ATOM 0 HB3 GLN A 55 14.560 -5.071 -18.518 1.00 0.00 H new ATOM 0 HG2 GLN A 55 12.329 -5.938 -19.248 1.00 0.00 H new ATOM 0 HG3 GLN A 55 12.396 -4.872 -20.637 1.00 0.00 H new ATOM 0 HE21 GLN A 55 13.817 -5.299 -22.353 1.00 0.00 H new ATOM 0 HE22 GLN A 55 14.604 -6.871 -22.527 1.00 0.00 H new ATOM 892 N TYR A 56 10.784 -3.648 -17.814 1.00 0.00 N ATOM 893 CA TYR A 56 9.600 -4.209 -17.190 1.00 0.00 C ATOM 894 C TYR A 56 8.819 -5.021 -18.191 1.00 0.00 C ATOM 895 O TYR A 56 8.243 -4.479 -19.127 1.00 0.00 O ATOM 896 CB TYR A 56 8.735 -3.107 -16.583 1.00 0.00 C ATOM 897 CG TYR A 56 7.360 -3.566 -16.117 1.00 0.00 C ATOM 898 CD1 TYR A 56 7.213 -4.710 -15.339 1.00 0.00 C ATOM 899 CD2 TYR A 56 6.213 -2.851 -16.451 1.00 0.00 C ATOM 900 CE1 TYR A 56 5.968 -5.129 -14.911 1.00 0.00 C ATOM 901 CE2 TYR A 56 4.965 -3.269 -16.026 1.00 0.00 C ATOM 902 CZ TYR A 56 4.848 -4.407 -15.256 1.00 0.00 C ATOM 903 OH TYR A 56 3.606 -4.821 -14.824 1.00 0.00 O ATOM 0 H TYR A 56 10.604 -2.844 -18.415 1.00 0.00 H new ATOM 0 HA TYR A 56 9.912 -4.870 -16.381 1.00 0.00 H new ATOM 0 HB2 TYR A 56 9.265 -2.672 -15.736 1.00 0.00 H new ATOM 0 HB3 TYR A 56 8.609 -2.314 -17.321 1.00 0.00 H new ATOM 0 HD1 TYR A 56 8.088 -5.281 -15.065 1.00 0.00 H new ATOM 0 HD2 TYR A 56 6.299 -1.957 -17.051 1.00 0.00 H new ATOM 0 HE1 TYR A 56 5.874 -6.020 -14.308 1.00 0.00 H new ATOM 0 HE2 TYR A 56 4.084 -2.706 -16.297 1.00 0.00 H new ATOM 0 HH TYR A 56 2.922 -4.201 -15.153 1.00 0.00 H new ATOM 913 N GLU A 57 8.846 -6.329 -17.992 1.00 0.00 N ATOM 914 CA GLU A 57 8.144 -7.271 -18.852 1.00 0.00 C ATOM 915 C GLU A 57 8.600 -7.149 -20.303 1.00 0.00 C ATOM 916 O GLU A 57 7.848 -7.434 -21.237 1.00 0.00 O ATOM 917 CB GLU A 57 6.641 -7.046 -18.735 1.00 0.00 C ATOM 918 CG GLU A 57 6.100 -7.406 -17.367 1.00 0.00 C ATOM 919 CD GLU A 57 6.149 -8.896 -17.095 1.00 0.00 C ATOM 920 OE1 GLU A 57 7.259 -9.470 -17.082 1.00 0.00 O ATOM 921 OE2 GLU A 57 5.080 -9.501 -16.888 1.00 0.00 O ATOM 0 H GLU A 57 9.357 -6.770 -17.227 1.00 0.00 H new ATOM 0 HA GLU A 57 8.381 -8.283 -18.524 1.00 0.00 H new ATOM 0 HB2 GLU A 57 6.417 -6.000 -18.946 1.00 0.00 H new ATOM 0 HB3 GLU A 57 6.129 -7.641 -19.492 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.675 -6.882 -16.604 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.070 -7.059 -17.285 1.00 0.00 H new ATOM 928 N GLY A 58 9.855 -6.762 -20.477 1.00 0.00 N ATOM 929 CA GLY A 58 10.425 -6.654 -21.807 1.00 0.00 C ATOM 930 C GLY A 58 10.361 -5.240 -22.348 1.00 0.00 C ATOM 931 O GLY A 58 10.577 -5.011 -23.538 1.00 0.00 O ATOM 0 H GLY A 58 10.492 -6.520 -19.718 1.00 0.00 H new ATOM 0 HA2 GLY A 58 11.463 -6.984 -21.783 1.00 0.00 H new ATOM 0 HA3 GLY A 58 9.893 -7.324 -22.483 1.00 0.00 H new ATOM 935 N ILE A 59 10.087 -4.286 -21.469 1.00 0.00 N ATOM 936 CA ILE A 59 9.937 -2.899 -21.864 1.00 0.00 C ATOM 937 C ILE A 59 11.013 -2.061 -21.194 1.00 0.00 C ATOM 938 O ILE A 59 11.084 -2.008 -19.969 1.00 0.00 O ATOM 939 CB ILE A 59 8.552 -2.353 -21.455 1.00 0.00 C ATOM 940 CG1 ILE A 59 7.451 -3.339 -21.861 1.00 0.00 C ATOM 941 CG2 ILE A 59 8.312 -0.988 -22.088 1.00 0.00 C ATOM 942 CD1 ILE A 59 6.081 -2.980 -21.323 1.00 0.00 C ATOM 0 H ILE A 59 9.964 -4.453 -20.470 1.00 0.00 H new ATOM 0 HA ILE A 59 10.032 -2.842 -22.948 1.00 0.00 H new ATOM 0 HB ILE A 59 8.528 -2.237 -20.371 1.00 0.00 H new ATOM 0 HG12 ILE A 59 7.403 -3.388 -22.949 1.00 0.00 H new ATOM 0 HG13 ILE A 59 7.720 -4.335 -21.509 1.00 0.00 H new ATOM 0 HG21 ILE A 59 7.332 -0.616 -21.790 1.00 0.00 H new ATOM 0 HG22 ILE A 59 9.081 -0.292 -21.754 1.00 0.00 H new ATOM 0 HG23 ILE A 59 8.352 -1.078 -23.174 1.00 0.00 H new ATOM 0 HD11 ILE A 59 5.355 -3.723 -21.652 1.00 0.00 H new ATOM 0 HD12 ILE A 59 6.112 -2.960 -20.234 1.00 0.00 H new ATOM 0 HD13 ILE A 59 5.790 -1.998 -21.696 1.00 0.00 H new ATOM 954 N PHE A 60 11.861 -1.430 -21.990 1.00 0.00 N ATOM 955 CA PHE A 60 12.897 -0.562 -21.446 1.00 0.00 C ATOM 956 C PHE A 60 12.286 0.746 -20.980 1.00 0.00 C ATOM 957 O PHE A 60 12.160 1.702 -21.749 1.00 0.00 O ATOM 958 CB PHE A 60 13.999 -0.300 -22.472 1.00 0.00 C ATOM 959 CG PHE A 60 14.814 -1.518 -22.795 1.00 0.00 C ATOM 960 CD1 PHE A 60 15.111 -2.447 -21.810 1.00 0.00 C ATOM 961 CD2 PHE A 60 15.290 -1.729 -24.078 1.00 0.00 C ATOM 962 CE1 PHE A 60 15.866 -3.567 -22.102 1.00 0.00 C ATOM 963 CE2 PHE A 60 16.047 -2.848 -24.375 1.00 0.00 C ATOM 964 CZ PHE A 60 16.336 -3.766 -23.386 1.00 0.00 C ATOM 0 H PHE A 60 11.855 -1.500 -23.008 1.00 0.00 H new ATOM 0 HA PHE A 60 13.351 -1.068 -20.594 1.00 0.00 H new ATOM 0 HB2 PHE A 60 13.549 0.080 -23.389 1.00 0.00 H new ATOM 0 HB3 PHE A 60 14.659 0.480 -22.094 1.00 0.00 H new ATOM 0 HD1 PHE A 60 14.749 -2.294 -20.804 1.00 0.00 H new ATOM 0 HD2 PHE A 60 15.068 -1.012 -24.855 1.00 0.00 H new ATOM 0 HE1 PHE A 60 16.088 -4.286 -21.327 1.00 0.00 H new ATOM 0 HE2 PHE A 60 16.411 -3.003 -25.380 1.00 0.00 H new ATOM 0 HZ PHE A 60 16.929 -4.639 -23.615 1.00 0.00 H new ATOM 974 N ILE A 61 11.887 0.772 -19.721 1.00 0.00 N ATOM 975 CA ILE A 61 11.187 1.921 -19.173 1.00 0.00 C ATOM 976 C ILE A 61 12.162 3.044 -18.825 1.00 0.00 C ATOM 977 O ILE A 61 13.320 2.798 -18.484 1.00 0.00 O ATOM 978 CB ILE A 61 10.356 1.533 -17.925 1.00 0.00 C ATOM 979 CG1 ILE A 61 11.261 1.355 -16.694 1.00 0.00 C ATOM 980 CG2 ILE A 61 9.553 0.268 -18.207 1.00 0.00 C ATOM 981 CD1 ILE A 61 10.857 0.220 -15.772 1.00 0.00 C ATOM 0 H ILE A 61 12.035 0.011 -19.058 1.00 0.00 H new ATOM 0 HA ILE A 61 10.503 2.280 -19.942 1.00 0.00 H new ATOM 0 HB ILE A 61 9.660 2.342 -17.703 1.00 0.00 H new ATOM 0 HG12 ILE A 61 12.283 1.184 -17.032 1.00 0.00 H new ATOM 0 HG13 ILE A 61 11.265 2.284 -16.125 1.00 0.00 H new ATOM 0 HG21 ILE A 61 8.971 0.002 -17.324 1.00 0.00 H new ATOM 0 HG22 ILE A 61 8.880 0.444 -19.046 1.00 0.00 H new ATOM 0 HG23 ILE A 61 10.233 -0.548 -18.453 1.00 0.00 H new ATOM 0 HD11 ILE A 61 11.550 0.169 -14.932 1.00 0.00 H new ATOM 0 HD12 ILE A 61 9.848 0.396 -15.399 1.00 0.00 H new ATOM 0 HD13 ILE A 61 10.882 -0.721 -16.321 1.00 0.00 H new ATOM 993 N LYS A 62 11.693 4.275 -18.945 1.00 0.00 N ATOM 994 CA LYS A 62 12.489 5.436 -18.582 1.00 0.00 C ATOM 995 C LYS A 62 11.988 6.020 -17.269 1.00 0.00 C ATOM 996 O LYS A 62 10.868 5.730 -16.846 1.00 0.00 O ATOM 997 CB LYS A 62 12.478 6.501 -19.687 1.00 0.00 C ATOM 998 CG LYS A 62 11.104 6.840 -20.249 1.00 0.00 C ATOM 999 CD LYS A 62 10.755 5.965 -21.446 1.00 0.00 C ATOM 1000 CE LYS A 62 9.383 6.300 -22.023 1.00 0.00 C ATOM 1001 NZ LYS A 62 9.353 7.610 -22.724 1.00 0.00 N ATOM 0 H LYS A 62 10.760 4.497 -19.293 1.00 0.00 H new ATOM 0 HA LYS A 62 13.522 5.110 -18.457 1.00 0.00 H new ATOM 0 HB2 LYS A 62 12.927 7.413 -19.294 1.00 0.00 H new ATOM 0 HB3 LYS A 62 13.113 6.159 -20.505 1.00 0.00 H new ATOM 0 HG2 LYS A 62 10.351 6.711 -19.472 1.00 0.00 H new ATOM 0 HG3 LYS A 62 11.080 7.889 -20.545 1.00 0.00 H new ATOM 0 HD2 LYS A 62 11.513 6.090 -22.219 1.00 0.00 H new ATOM 0 HD3 LYS A 62 10.776 4.917 -21.146 1.00 0.00 H new ATOM 0 HE2 LYS A 62 9.086 5.515 -22.718 1.00 0.00 H new ATOM 0 HE3 LYS A 62 8.648 6.308 -21.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 8.401 7.776 -23.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 9.592 8.368 -22.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 10.045 7.604 -23.501 1.00 0.00 H new ATOM 1015 N ASP A 63 12.813 6.848 -16.629 1.00 0.00 N ATOM 1016 CA ASP A 63 12.469 7.430 -15.329 1.00 0.00 C ATOM 1017 C ASP A 63 11.269 8.359 -15.457 1.00 0.00 C ATOM 1018 O ASP A 63 10.561 8.617 -14.489 1.00 0.00 O ATOM 1019 CB ASP A 63 13.657 8.207 -14.747 1.00 0.00 C ATOM 1020 CG ASP A 63 13.570 9.701 -15.019 1.00 0.00 C ATOM 1021 OD1 ASP A 63 13.812 10.114 -16.170 1.00 0.00 O ATOM 1022 OD2 ASP A 63 13.251 10.462 -14.080 1.00 0.00 O ATOM 0 H ASP A 63 13.724 7.132 -16.988 1.00 0.00 H new ATOM 0 HA ASP A 63 12.217 6.611 -14.655 1.00 0.00 H new ATOM 0 HB2 ASP A 63 13.703 8.040 -13.671 1.00 0.00 H new ATOM 0 HB3 ASP A 63 14.583 7.818 -15.170 1.00 0.00 H new ATOM 1027 N SER A 64 11.037 8.833 -16.672 1.00 0.00 N ATOM 1028 CA SER A 64 9.961 9.771 -16.946 1.00 0.00 C ATOM 1029 C SER A 64 8.606 9.064 -16.922 1.00 0.00 C ATOM 1030 O SER A 64 7.569 9.652 -17.229 1.00 0.00 O ATOM 1031 CB SER A 64 10.206 10.427 -18.302 1.00 0.00 C ATOM 1032 OG SER A 64 11.553 10.864 -18.409 1.00 0.00 O ATOM 0 H SER A 64 11.587 8.579 -17.492 1.00 0.00 H new ATOM 0 HA SER A 64 9.945 10.538 -16.172 1.00 0.00 H new ATOM 0 HB2 SER A 64 9.983 9.719 -19.100 1.00 0.00 H new ATOM 0 HB3 SER A 64 9.532 11.274 -18.430 1.00 0.00 H new ATOM 0 HG SER A 64 11.693 11.281 -19.285 1.00 0.00 H new ATOM 1038 N ASN A 65 8.630 7.794 -16.551 1.00 0.00 N ATOM 1039 CA ASN A 65 7.424 7.008 -16.423 1.00 0.00 C ATOM 1040 C ASN A 65 7.192 6.709 -14.963 1.00 0.00 C ATOM 1041 O ASN A 65 8.092 6.865 -14.137 1.00 0.00 O ATOM 1042 CB ASN A 65 7.538 5.685 -17.178 1.00 0.00 C ATOM 1043 CG ASN A 65 7.893 5.847 -18.637 1.00 0.00 C ATOM 1044 OD1 ASN A 65 7.541 6.834 -19.280 1.00 0.00 O ATOM 1045 ND2 ASN A 65 8.601 4.865 -19.163 1.00 0.00 N ATOM 0 H ASN A 65 9.486 7.285 -16.332 1.00 0.00 H new ATOM 0 HA ASN A 65 6.596 7.578 -16.845 1.00 0.00 H new ATOM 0 HB2 ASN A 65 8.294 5.066 -16.696 1.00 0.00 H new ATOM 0 HB3 ASN A 65 6.591 5.150 -17.101 1.00 0.00 H new ATOM 0 HD21 ASN A 65 8.879 4.905 -20.143 1.00 0.00 H new ATOM 0 HD22 ASN A 65 8.870 4.066 -18.589 1.00 0.00 H new ATOM 1052 N SER A 66 6.011 6.239 -14.647 1.00 0.00 N ATOM 1053 CA SER A 66 5.679 5.908 -13.287 1.00 0.00 C ATOM 1054 C SER A 66 5.175 4.481 -13.226 1.00 0.00 C ATOM 1055 O SER A 66 4.868 3.880 -14.258 1.00 0.00 O ATOM 1056 CB SER A 66 4.650 6.895 -12.739 1.00 0.00 C ATOM 1057 OG SER A 66 3.501 6.961 -13.567 1.00 0.00 O ATOM 0 H SER A 66 5.261 6.077 -15.319 1.00 0.00 H new ATOM 0 HA SER A 66 6.568 5.984 -12.661 1.00 0.00 H new ATOM 0 HB2 SER A 66 4.358 6.596 -11.732 1.00 0.00 H new ATOM 0 HB3 SER A 66 5.100 7.885 -12.660 1.00 0.00 H new ATOM 0 HG SER A 66 2.861 7.600 -13.188 1.00 0.00 H new ATOM 1063 N LEU A 67 5.113 3.932 -12.032 1.00 0.00 N ATOM 1064 CA LEU A 67 4.694 2.555 -11.856 1.00 0.00 C ATOM 1065 C LEU A 67 3.245 2.384 -12.301 1.00 0.00 C ATOM 1066 O LEU A 67 2.912 1.438 -13.015 1.00 0.00 O ATOM 1067 CB LEU A 67 4.865 2.161 -10.393 1.00 0.00 C ATOM 1068 CG LEU A 67 6.185 2.620 -9.766 1.00 0.00 C ATOM 1069 CD1 LEU A 67 6.189 2.370 -8.275 1.00 0.00 C ATOM 1070 CD2 LEU A 67 7.371 1.931 -10.418 1.00 0.00 C ATOM 0 H LEU A 67 5.348 4.418 -11.166 1.00 0.00 H new ATOM 0 HA LEU A 67 5.313 1.902 -12.472 1.00 0.00 H new ATOM 0 HB2 LEU A 67 4.039 2.578 -9.818 1.00 0.00 H new ATOM 0 HB3 LEU A 67 4.795 1.076 -10.311 1.00 0.00 H new ATOM 0 HG LEU A 67 6.276 3.692 -9.938 1.00 0.00 H new ATOM 0 HD11 LEU A 67 7.137 2.704 -7.853 1.00 0.00 H new ATOM 0 HD12 LEU A 67 5.371 2.921 -7.811 1.00 0.00 H new ATOM 0 HD13 LEU A 67 6.063 1.304 -8.084 1.00 0.00 H new ATOM 0 HD21 LEU A 67 8.294 2.277 -9.952 1.00 0.00 H new ATOM 0 HD22 LEU A 67 7.281 0.852 -10.289 1.00 0.00 H new ATOM 0 HD23 LEU A 67 7.390 2.169 -11.482 1.00 0.00 H new ATOM 1082 N ALA A 68 2.392 3.316 -11.890 1.00 0.00 N ATOM 1083 CA ALA A 68 0.992 3.326 -12.308 1.00 0.00 C ATOM 1084 C ALA A 68 0.869 3.474 -13.819 1.00 0.00 C ATOM 1085 O ALA A 68 -0.036 2.917 -14.433 1.00 0.00 O ATOM 1086 CB ALA A 68 0.241 4.449 -11.613 1.00 0.00 C ATOM 0 H ALA A 68 2.647 4.080 -11.264 1.00 0.00 H new ATOM 0 HA ALA A 68 0.551 2.371 -12.022 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -0.800 4.444 -11.934 1.00 0.00 H new ATOM 0 HB2 ALA A 68 0.288 4.305 -10.534 1.00 0.00 H new ATOM 0 HB3 ALA A 68 0.696 5.405 -11.872 1.00 0.00 H new ATOM 1092 N TYR A 69 1.798 4.219 -14.403 1.00 0.00 N ATOM 1093 CA TYR A 69 1.819 4.463 -15.841 1.00 0.00 C ATOM 1094 C TYR A 69 1.881 3.150 -16.626 1.00 0.00 C ATOM 1095 O TYR A 69 1.188 2.985 -17.627 1.00 0.00 O ATOM 1096 CB TYR A 69 3.014 5.360 -16.175 1.00 0.00 C ATOM 1097 CG TYR A 69 3.225 5.630 -17.644 1.00 0.00 C ATOM 1098 CD1 TYR A 69 2.554 6.661 -18.288 1.00 0.00 C ATOM 1099 CD2 TYR A 69 4.116 4.867 -18.380 1.00 0.00 C ATOM 1100 CE1 TYR A 69 2.766 6.917 -19.629 1.00 0.00 C ATOM 1101 CE2 TYR A 69 4.330 5.112 -19.716 1.00 0.00 C ATOM 1102 CZ TYR A 69 3.655 6.139 -20.339 1.00 0.00 C ATOM 1103 OH TYR A 69 3.879 6.394 -21.673 1.00 0.00 O ATOM 0 H TYR A 69 2.558 4.671 -13.895 1.00 0.00 H new ATOM 0 HA TYR A 69 0.897 4.965 -16.133 1.00 0.00 H new ATOM 0 HB2 TYR A 69 2.887 6.313 -15.662 1.00 0.00 H new ATOM 0 HB3 TYR A 69 3.917 4.900 -15.773 1.00 0.00 H new ATOM 0 HD1 TYR A 69 1.857 7.271 -17.733 1.00 0.00 H new ATOM 0 HD2 TYR A 69 4.653 4.065 -17.896 1.00 0.00 H new ATOM 0 HE1 TYR A 69 2.238 7.722 -20.118 1.00 0.00 H new ATOM 0 HE2 TYR A 69 5.024 4.502 -20.275 1.00 0.00 H new ATOM 0 HH TYR A 69 4.534 5.755 -22.023 1.00 0.00 H new ATOM 1113 N TYR A 70 2.706 2.215 -16.164 1.00 0.00 N ATOM 1114 CA TYR A 70 2.795 0.905 -16.806 1.00 0.00 C ATOM 1115 C TYR A 70 1.963 -0.133 -16.062 1.00 0.00 C ATOM 1116 O TYR A 70 2.038 -1.324 -16.362 1.00 0.00 O ATOM 1117 CB TYR A 70 4.247 0.434 -16.908 1.00 0.00 C ATOM 1118 CG TYR A 70 5.019 1.079 -18.038 1.00 0.00 C ATOM 1119 CD1 TYR A 70 4.646 0.878 -19.361 1.00 0.00 C ATOM 1120 CD2 TYR A 70 6.116 1.887 -17.781 1.00 0.00 C ATOM 1121 CE1 TYR A 70 5.345 1.468 -20.398 1.00 0.00 C ATOM 1122 CE2 TYR A 70 6.817 2.480 -18.811 1.00 0.00 C ATOM 1123 CZ TYR A 70 6.431 2.269 -20.117 1.00 0.00 C ATOM 1124 OH TYR A 70 7.131 2.868 -21.142 1.00 0.00 O ATOM 0 H TYR A 70 3.317 2.336 -15.356 1.00 0.00 H new ATOM 0 HA TYR A 70 2.394 1.013 -17.814 1.00 0.00 H new ATOM 0 HB2 TYR A 70 4.755 0.645 -15.967 1.00 0.00 H new ATOM 0 HB3 TYR A 70 4.260 -0.648 -17.042 1.00 0.00 H new ATOM 0 HD1 TYR A 70 3.796 0.250 -19.583 1.00 0.00 H new ATOM 0 HD2 TYR A 70 6.426 2.055 -16.760 1.00 0.00 H new ATOM 0 HE1 TYR A 70 5.042 1.302 -21.421 1.00 0.00 H new ATOM 0 HE2 TYR A 70 7.668 3.109 -18.594 1.00 0.00 H new ATOM 0 HH TYR A 70 6.526 3.041 -21.894 1.00 0.00 H new ATOM 1134 N ASN A 71 1.180 0.331 -15.090 1.00 0.00 N ATOM 1135 CA ASN A 71 0.269 -0.534 -14.333 1.00 0.00 C ATOM 1136 C ASN A 71 1.032 -1.622 -13.575 1.00 0.00 C ATOM 1137 O ASN A 71 0.577 -2.765 -13.507 1.00 0.00 O ATOM 1138 CB ASN A 71 -0.774 -1.193 -15.257 1.00 0.00 C ATOM 1139 CG ASN A 71 -1.828 -0.233 -15.794 1.00 0.00 C ATOM 1140 OD1 ASN A 71 -2.972 -0.625 -16.036 1.00 0.00 O ATOM 1141 ND2 ASN A 71 -1.465 1.021 -15.992 1.00 0.00 N ATOM 0 H ASN A 71 1.157 1.310 -14.804 1.00 0.00 H new ATOM 0 HA ASN A 71 -0.245 0.103 -13.613 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -0.257 -1.655 -16.098 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -1.273 -1.994 -14.711 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -2.139 1.696 -16.355 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -0.511 1.315 -15.782 1.00 0.00 H new ATOM 1148 N MET A 72 2.178 -1.260 -12.996 1.00 0.00 N ATOM 1149 CA MET A 72 2.992 -2.208 -12.235 1.00 0.00 C ATOM 1150 C MET A 72 2.251 -2.715 -11.002 1.00 0.00 C ATOM 1151 O MET A 72 2.318 -2.117 -9.930 1.00 0.00 O ATOM 1152 CB MET A 72 4.319 -1.574 -11.809 1.00 0.00 C ATOM 1153 CG MET A 72 5.265 -1.289 -12.957 1.00 0.00 C ATOM 1154 SD MET A 72 6.870 -0.707 -12.386 1.00 0.00 S ATOM 1155 CE MET A 72 7.781 -0.646 -13.920 1.00 0.00 C ATOM 0 H MET A 72 2.563 -0.317 -13.040 1.00 0.00 H new ATOM 0 HA MET A 72 3.195 -3.054 -12.892 1.00 0.00 H new ATOM 0 HB2 MET A 72 4.112 -0.642 -11.283 1.00 0.00 H new ATOM 0 HB3 MET A 72 4.815 -2.237 -11.100 1.00 0.00 H new ATOM 0 HG2 MET A 72 5.398 -2.194 -13.549 1.00 0.00 H new ATOM 0 HG3 MET A 72 4.822 -0.541 -13.614 1.00 0.00 H new ATOM 0 HE1 MET A 72 8.792 -0.285 -13.729 1.00 0.00 H new ATOM 0 HE2 MET A 72 7.828 -1.644 -14.355 1.00 0.00 H new ATOM 0 HE3 MET A 72 7.280 0.029 -14.614 1.00 0.00 H new ATOM 1165 N ALA A 73 1.527 -3.808 -11.173 1.00 0.00 N ATOM 1166 CA ALA A 73 0.799 -4.429 -10.078 1.00 0.00 C ATOM 1167 C ALA A 73 1.740 -5.190 -9.150 1.00 0.00 C ATOM 1168 O ALA A 73 2.951 -5.242 -9.382 1.00 0.00 O ATOM 1169 CB ALA A 73 -0.265 -5.363 -10.632 1.00 0.00 C ATOM 0 H ALA A 73 1.427 -4.288 -12.068 1.00 0.00 H new ATOM 0 HA ALA A 73 0.320 -3.642 -9.495 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -0.808 -5.826 -9.808 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -0.960 -4.796 -11.251 1.00 0.00 H new ATOM 0 HB3 ALA A 73 0.209 -6.138 -11.235 1.00 0.00 H new ATOM 1175 N ASN A 74 1.180 -5.769 -8.093 1.00 0.00 N ATOM 1176 CA ASN A 74 1.958 -6.584 -7.168 1.00 0.00 C ATOM 1177 C ASN A 74 2.612 -7.734 -7.910 1.00 0.00 C ATOM 1178 O ASN A 74 1.931 -8.613 -8.438 1.00 0.00 O ATOM 1179 CB ASN A 74 1.083 -7.144 -6.037 1.00 0.00 C ATOM 1180 CG ASN A 74 0.579 -6.080 -5.080 1.00 0.00 C ATOM 1181 OD1 ASN A 74 0.305 -4.949 -5.473 1.00 0.00 O ATOM 1182 ND2 ASN A 74 0.468 -6.433 -3.808 1.00 0.00 N ATOM 0 H ASN A 74 0.191 -5.689 -7.856 1.00 0.00 H new ATOM 0 HA ASN A 74 2.722 -5.943 -6.728 1.00 0.00 H new ATOM 0 HB2 ASN A 74 0.230 -7.664 -6.472 1.00 0.00 H new ATOM 0 HB3 ASN A 74 1.656 -7.883 -5.477 1.00 0.00 H new ATOM 0 HD21 ASN A 74 0.145 -5.756 -3.117 1.00 0.00 H new ATOM 0 HD22 ASN A 74 0.705 -7.382 -3.520 1.00 0.00 H new ATOM 1189 N GLY A 75 3.932 -7.723 -7.945 1.00 0.00 N ATOM 1190 CA GLY A 75 4.656 -8.763 -8.633 1.00 0.00 C ATOM 1191 C GLY A 75 5.245 -8.276 -9.940 1.00 0.00 C ATOM 1192 O GLY A 75 5.401 -9.050 -10.883 1.00 0.00 O ATOM 0 H GLY A 75 4.516 -7.010 -7.508 1.00 0.00 H new ATOM 0 HA2 GLY A 75 5.455 -9.134 -7.991 1.00 0.00 H new ATOM 0 HA3 GLY A 75 3.988 -9.602 -8.827 1.00 0.00 H new ATOM 1196 N ALA A 76 5.570 -6.988 -10.000 1.00 0.00 N ATOM 1197 CA ALA A 76 6.180 -6.422 -11.192 1.00 0.00 C ATOM 1198 C ALA A 76 7.650 -6.803 -11.251 1.00 0.00 C ATOM 1199 O ALA A 76 8.444 -6.402 -10.397 1.00 0.00 O ATOM 1200 CB ALA A 76 6.007 -4.913 -11.204 1.00 0.00 C ATOM 0 H ALA A 76 5.421 -6.323 -9.241 1.00 0.00 H new ATOM 0 HA ALA A 76 5.685 -6.826 -12.075 1.00 0.00 H new ATOM 0 HB1 ALA A 76 6.468 -4.501 -12.102 1.00 0.00 H new ATOM 0 HB2 ALA A 76 4.945 -4.668 -11.197 1.00 0.00 H new ATOM 0 HB3 ALA A 76 6.484 -4.485 -10.322 1.00 0.00 H new ATOM 1206 N VAL A 77 8.003 -7.596 -12.248 1.00 0.00 N ATOM 1207 CA VAL A 77 9.373 -8.057 -12.396 1.00 0.00 C ATOM 1208 C VAL A 77 10.138 -7.157 -13.351 1.00 0.00 C ATOM 1209 O VAL A 77 9.956 -7.219 -14.569 1.00 0.00 O ATOM 1210 CB VAL A 77 9.446 -9.513 -12.909 1.00 0.00 C ATOM 1211 CG1 VAL A 77 10.887 -10.007 -12.899 1.00 0.00 C ATOM 1212 CG2 VAL A 77 8.556 -10.426 -12.078 1.00 0.00 C ATOM 0 H VAL A 77 7.362 -7.934 -12.966 1.00 0.00 H new ATOM 0 HA VAL A 77 9.825 -8.020 -11.405 1.00 0.00 H new ATOM 0 HB VAL A 77 9.082 -9.534 -13.936 1.00 0.00 H new ATOM 0 HG11 VAL A 77 10.922 -11.034 -13.263 1.00 0.00 H new ATOM 0 HG12 VAL A 77 11.494 -9.372 -13.545 1.00 0.00 H new ATOM 0 HG13 VAL A 77 11.278 -9.969 -11.882 1.00 0.00 H new ATOM 0 HG21 VAL A 77 8.624 -11.445 -12.458 1.00 0.00 H new ATOM 0 HG22 VAL A 77 8.882 -10.404 -11.038 1.00 0.00 H new ATOM 0 HG23 VAL A 77 7.523 -10.084 -12.142 1.00 0.00 H new ATOM 1222 N ILE A 78 10.980 -6.306 -12.796 1.00 0.00 N ATOM 1223 CA ILE A 78 11.825 -5.450 -13.608 1.00 0.00 C ATOM 1224 C ILE A 78 13.172 -6.124 -13.795 1.00 0.00 C ATOM 1225 O ILE A 78 13.643 -6.840 -12.920 1.00 0.00 O ATOM 1226 CB ILE A 78 12.043 -4.050 -12.981 1.00 0.00 C ATOM 1227 CG1 ILE A 78 10.742 -3.524 -12.366 1.00 0.00 C ATOM 1228 CG2 ILE A 78 12.561 -3.073 -14.026 1.00 0.00 C ATOM 1229 CD1 ILE A 78 9.541 -3.615 -13.278 1.00 0.00 C ATOM 0 H ILE A 78 11.097 -6.189 -11.790 1.00 0.00 H new ATOM 0 HA ILE A 78 11.319 -5.302 -14.562 1.00 0.00 H new ATOM 0 HB ILE A 78 12.787 -4.144 -12.190 1.00 0.00 H new ATOM 0 HG12 ILE A 78 10.534 -4.083 -11.453 1.00 0.00 H new ATOM 0 HG13 ILE A 78 10.886 -2.483 -12.077 1.00 0.00 H new ATOM 0 HG21 ILE A 78 12.708 -2.095 -13.568 1.00 0.00 H new ATOM 0 HG22 ILE A 78 13.509 -3.434 -14.423 1.00 0.00 H new ATOM 0 HG23 ILE A 78 11.837 -2.989 -14.836 1.00 0.00 H new ATOM 0 HD11 ILE A 78 8.664 -3.222 -12.765 1.00 0.00 H new ATOM 0 HD12 ILE A 78 9.725 -3.032 -14.181 1.00 0.00 H new ATOM 0 HD13 ILE A 78 9.367 -4.657 -13.548 1.00 0.00 H new ATOM 1241 N HIS A 79 13.760 -5.923 -14.949 1.00 0.00 N ATOM 1242 CA HIS A 79 15.050 -6.501 -15.266 1.00 0.00 C ATOM 1243 C HIS A 79 16.060 -5.388 -15.392 1.00 0.00 C ATOM 1244 O HIS A 79 15.945 -4.541 -16.276 1.00 0.00 O ATOM 1245 CB HIS A 79 14.998 -7.291 -16.581 1.00 0.00 C ATOM 1246 CG HIS A 79 14.028 -8.432 -16.575 1.00 0.00 C ATOM 1247 ND1 HIS A 79 14.370 -9.714 -16.942 1.00 0.00 N ATOM 1248 CD2 HIS A 79 12.713 -8.469 -16.266 1.00 0.00 C ATOM 1249 CE1 HIS A 79 13.306 -10.490 -16.859 1.00 0.00 C ATOM 1250 NE2 HIS A 79 12.287 -9.759 -16.450 1.00 0.00 N ATOM 0 H HIS A 79 13.361 -5.355 -15.697 1.00 0.00 H new ATOM 0 HA HIS A 79 15.331 -7.189 -14.469 1.00 0.00 H new ATOM 0 HB2 HIS A 79 14.735 -6.610 -17.391 1.00 0.00 H new ATOM 0 HB3 HIS A 79 15.994 -7.677 -16.799 1.00 0.00 H new ATOM 0 HD2 HIS A 79 12.109 -7.637 -15.935 1.00 0.00 H new ATOM 0 HE1 HIS A 79 13.275 -11.545 -17.087 1.00 0.00 H new ATOM 0 HE2 HIS A 79 11.337 -10.098 -16.296 1.00 0.00 H new ATOM 1259 N LEU A 80 17.017 -5.364 -14.496 1.00 0.00 N ATOM 1260 CA LEU A 80 18.076 -4.381 -14.578 1.00 0.00 C ATOM 1261 C LEU A 80 19.105 -4.840 -15.594 1.00 0.00 C ATOM 1262 O LEU A 80 19.498 -6.009 -15.615 1.00 0.00 O ATOM 1263 CB LEU A 80 18.748 -4.159 -13.224 1.00 0.00 C ATOM 1264 CG LEU A 80 19.992 -3.265 -13.271 1.00 0.00 C ATOM 1265 CD1 LEU A 80 19.641 -1.876 -13.771 1.00 0.00 C ATOM 1266 CD2 LEU A 80 20.660 -3.179 -11.915 1.00 0.00 C ATOM 0 H LEU A 80 17.087 -6.007 -13.707 1.00 0.00 H new ATOM 0 HA LEU A 80 17.638 -3.432 -14.888 1.00 0.00 H new ATOM 0 HB2 LEU A 80 18.023 -3.716 -12.541 1.00 0.00 H new ATOM 0 HB3 LEU A 80 19.027 -5.127 -12.808 1.00 0.00 H new ATOM 0 HG LEU A 80 20.695 -3.720 -13.969 1.00 0.00 H new ATOM 0 HD11 LEU A 80 20.540 -1.260 -13.795 1.00 0.00 H new ATOM 0 HD12 LEU A 80 19.222 -1.946 -14.775 1.00 0.00 H new ATOM 0 HD13 LEU A 80 18.909 -1.423 -13.103 1.00 0.00 H new ATOM 0 HD21 LEU A 80 21.539 -2.538 -11.982 1.00 0.00 H new ATOM 0 HD22 LEU A 80 19.961 -2.761 -11.191 1.00 0.00 H new ATOM 0 HD23 LEU A 80 20.962 -4.176 -11.594 1.00 0.00 H new ATOM 1278 N ALA A 81 19.520 -3.931 -16.444 1.00 0.00 N ATOM 1279 CA ALA A 81 20.514 -4.235 -17.440 1.00 0.00 C ATOM 1280 C ALA A 81 21.367 -3.018 -17.718 1.00 0.00 C ATOM 1281 O ALA A 81 20.888 -1.886 -17.646 1.00 0.00 O ATOM 1282 CB ALA A 81 19.840 -4.722 -18.712 1.00 0.00 C ATOM 0 H ALA A 81 19.181 -2.969 -16.464 1.00 0.00 H new ATOM 0 HA ALA A 81 21.163 -5.027 -17.065 1.00 0.00 H new ATOM 0 HB1 ALA A 81 20.598 -4.950 -19.461 1.00 0.00 H new ATOM 0 HB2 ALA A 81 19.261 -5.620 -18.496 1.00 0.00 H new ATOM 0 HB3 ALA A 81 19.176 -3.945 -19.092 1.00 0.00 H new ATOM 1288 N LEU A 82 22.633 -3.247 -17.997 1.00 0.00 N ATOM 1289 CA LEU A 82 23.508 -2.175 -18.410 1.00 0.00 C ATOM 1290 C LEU A 82 23.185 -1.827 -19.853 1.00 0.00 C ATOM 1291 O LEU A 82 22.812 -2.711 -20.622 1.00 0.00 O ATOM 1292 CB LEU A 82 24.973 -2.591 -18.264 1.00 0.00 C ATOM 1293 CG LEU A 82 25.995 -1.474 -18.478 1.00 0.00 C ATOM 1294 CD1 LEU A 82 25.796 -0.362 -17.464 1.00 0.00 C ATOM 1295 CD2 LEU A 82 27.404 -2.023 -18.386 1.00 0.00 C ATOM 0 H LEU A 82 23.076 -4.164 -17.945 1.00 0.00 H new ATOM 0 HA LEU A 82 23.353 -1.301 -17.777 1.00 0.00 H new ATOM 0 HB2 LEU A 82 25.118 -3.007 -17.267 1.00 0.00 H new ATOM 0 HB3 LEU A 82 25.179 -3.390 -18.976 1.00 0.00 H new ATOM 0 HG LEU A 82 25.845 -1.060 -19.475 1.00 0.00 H new ATOM 0 HD11 LEU A 82 26.534 0.422 -17.635 1.00 0.00 H new ATOM 0 HD12 LEU A 82 24.794 0.053 -17.571 1.00 0.00 H new ATOM 0 HD13 LEU A 82 25.917 -0.762 -16.457 1.00 0.00 H new ATOM 0 HD21 LEU A 82 28.120 -1.216 -18.541 1.00 0.00 H new ATOM 0 HD22 LEU A 82 27.560 -2.462 -17.401 1.00 0.00 H new ATOM 0 HD23 LEU A 82 27.548 -2.787 -19.151 1.00 0.00 H new ATOM 1307 N LYS A 83 23.292 -0.546 -20.191 1.00 0.00 N ATOM 1308 CA LYS A 83 23.000 -0.059 -21.536 1.00 0.00 C ATOM 1309 C LYS A 83 23.628 -0.985 -22.574 1.00 0.00 C ATOM 1310 O LYS A 83 22.929 -1.714 -23.281 1.00 0.00 O ATOM 1311 CB LYS A 83 23.548 1.362 -21.703 1.00 0.00 C ATOM 1312 CG LYS A 83 22.879 2.153 -22.810 1.00 0.00 C ATOM 1313 CD LYS A 83 21.523 2.680 -22.371 1.00 0.00 C ATOM 1314 CE LYS A 83 21.662 3.884 -21.454 1.00 0.00 C ATOM 1315 NZ LYS A 83 22.360 5.019 -22.118 1.00 0.00 N ATOM 0 H LYS A 83 23.583 0.184 -19.541 1.00 0.00 H new ATOM 0 HA LYS A 83 21.920 -0.045 -21.683 1.00 0.00 H new ATOM 0 HB2 LYS A 83 23.428 1.900 -20.762 1.00 0.00 H new ATOM 0 HB3 LYS A 83 24.618 1.307 -21.905 1.00 0.00 H new ATOM 0 HG2 LYS A 83 23.518 2.986 -23.102 1.00 0.00 H new ATOM 0 HG3 LYS A 83 22.758 1.521 -23.690 1.00 0.00 H new ATOM 0 HD2 LYS A 83 20.937 2.955 -23.248 1.00 0.00 H new ATOM 0 HD3 LYS A 83 20.974 1.891 -21.856 1.00 0.00 H new ATOM 0 HE2 LYS A 83 20.673 4.208 -21.130 1.00 0.00 H new ATOM 0 HE3 LYS A 83 22.212 3.595 -20.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 22.357 5.845 -21.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 23.342 4.747 -22.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 21.869 5.258 -23.003 1.00 0.00 H new ATOM 1329 N GLU A 84 24.950 -0.960 -22.633 1.00 0.00 N ATOM 1330 CA GLU A 84 25.715 -1.912 -23.420 1.00 0.00 C ATOM 1331 C GLU A 84 26.983 -2.271 -22.655 1.00 0.00 C ATOM 1332 O GLU A 84 27.762 -1.392 -22.281 1.00 0.00 O ATOM 1333 CB GLU A 84 26.050 -1.354 -24.810 1.00 0.00 C ATOM 1334 CG GLU A 84 24.816 -1.092 -25.665 1.00 0.00 C ATOM 1335 CD GLU A 84 25.138 -0.855 -27.123 1.00 0.00 C ATOM 1336 OE1 GLU A 84 25.500 0.281 -27.483 1.00 0.00 O ATOM 1337 OE2 GLU A 84 25.008 -1.809 -27.921 1.00 0.00 O ATOM 0 H GLU A 84 25.523 -0.278 -22.136 1.00 0.00 H new ATOM 0 HA GLU A 84 25.115 -2.808 -23.578 1.00 0.00 H new ATOM 0 HB2 GLU A 84 26.609 -0.425 -24.696 1.00 0.00 H new ATOM 0 HB3 GLU A 84 26.701 -2.057 -25.329 1.00 0.00 H new ATOM 0 HG2 GLU A 84 24.139 -1.942 -25.583 1.00 0.00 H new ATOM 0 HG3 GLU A 84 24.287 -0.224 -25.271 1.00 0.00 H new ATOM 1344 N ARG A 85 27.163 -3.563 -22.397 1.00 0.00 N ATOM 1345 CA ARG A 85 28.251 -4.042 -21.547 1.00 0.00 C ATOM 1346 C ARG A 85 29.625 -3.788 -22.170 1.00 0.00 C ATOM 1347 O ARG A 85 30.630 -3.718 -21.462 1.00 0.00 O ATOM 1348 CB ARG A 85 28.066 -5.532 -21.244 1.00 0.00 C ATOM 1349 CG ARG A 85 28.077 -6.426 -22.477 1.00 0.00 C ATOM 1350 CD ARG A 85 27.521 -7.805 -22.165 1.00 0.00 C ATOM 1351 NE ARG A 85 26.113 -7.741 -21.773 1.00 0.00 N ATOM 1352 CZ ARG A 85 25.429 -8.763 -21.259 1.00 0.00 C ATOM 1353 NH1 ARG A 85 26.014 -9.943 -21.084 1.00 0.00 N ATOM 1354 NH2 ARG A 85 24.153 -8.611 -20.922 1.00 0.00 N ATOM 0 H ARG A 85 26.565 -4.302 -22.767 1.00 0.00 H new ATOM 0 HA ARG A 85 28.212 -3.478 -20.615 1.00 0.00 H new ATOM 0 HB2 ARG A 85 28.858 -5.855 -20.568 1.00 0.00 H new ATOM 0 HB3 ARG A 85 27.122 -5.670 -20.718 1.00 0.00 H new ATOM 0 HG2 ARG A 85 27.487 -5.964 -23.269 1.00 0.00 H new ATOM 0 HG3 ARG A 85 29.096 -6.519 -22.852 1.00 0.00 H new ATOM 0 HD2 ARG A 85 27.627 -8.447 -23.039 1.00 0.00 H new ATOM 0 HD3 ARG A 85 28.102 -8.260 -21.363 1.00 0.00 H new ATOM 0 HE ARG A 85 25.622 -6.856 -21.901 1.00 0.00 H new ATOM 0 HH11 ARG A 85 26.992 -10.071 -21.343 1.00 0.00 H new ATOM 0 HH12 ARG A 85 25.485 -10.721 -20.690 1.00 0.00 H new ATOM 0 HH21 ARG A 85 23.694 -7.710 -21.056 1.00 0.00 H new ATOM 0 HH22 ARG A 85 23.632 -9.395 -20.529 1.00 0.00 H new ATOM 1368 N GLY A 86 29.666 -3.657 -23.488 1.00 0.00 N ATOM 1369 CA GLY A 86 30.915 -3.371 -24.159 1.00 0.00 C ATOM 1370 C GLY A 86 30.733 -2.398 -25.303 1.00 0.00 C ATOM 1371 O GLY A 86 31.641 -1.577 -25.543 1.00 0.00 O ATOM 1372 OXT GLY A 86 29.681 -2.458 -25.973 1.00 0.00 O ATOM 0 H GLY A 86 28.857 -3.744 -24.103 1.00 0.00 H new ATOM 0 HA2 GLY A 86 31.626 -2.959 -23.442 1.00 0.00 H new ATOM 0 HA3 GLY A 86 31.344 -4.299 -24.537 1.00 0.00 H new TER 1376 GLY A 86