USER MOD reduce.3.24.130724 H: found=0, std=0, add=956, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 956 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 98 THR OG1 : rot -88:sc= 0.99 USER MOD Set 1.2: A 101 SER OG : rot -85:sc= 0.554 USER MOD Set 2.1: A 11 MET CE :methyl 158:sc= -0.144 (180deg=-0.741) USER MOD Set 2.2: A 85 GLN : amide:sc= -0.477 X(o=-0.62,f=-0.33) USER MOD Set 3.1: A 68 TYR OH : rot -120:sc= 0.00295 USER MOD Set 3.2: A 71 ASN : amide:sc= 0.00193 X(o=0.0049,f=0) USER MOD Set 4.1: A 54 SER OG : rot 180:sc= -0.536 USER MOD Set 4.2: A 63 HIS : no HD1:sc= 0 X(o=-0.54,f=-0.54) USER MOD Single : A 1 MET CE :methyl -162:sc= 0 (180deg=-0.159) USER MOD Single : A 1 MET N :NH3+ 167:sc= 1.1! (180deg=0.345) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HD1:sc= -0.104 X(o=-0.1,f=-0.015) USER MOD Single : A 5 HIS : no HD1:sc= -0.0275 X(o=-0.028,f=-0.034) USER MOD Single : A 6 HIS : no HD1:sc= -0.055 X(o=-0.055,f=0) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 12 LYS NZ :NH3+ -168:sc= 1.24 (180deg=1.13) USER MOD Single : A 17 GLN : amide:sc= 0.276 K(o=0.28,f=-0.95) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 HIS : no HE2:sc= -0.945 K(o=0.37,f=-6.7!) USER MOD Single : A 30 GLN : amide:sc= -1.54! K(o=-1.5!,f=-0.81) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 44 SER OG : rot 82:sc= 0.00802 USER MOD Single : A 45 HIS : no HD1:sc= -0.0218 K(o=-0.022,f=-3.7!) USER MOD Single : A 47 LYS NZ :NH3+ 156:sc= 0.495 (180deg=-0.351) USER MOD Single : A 51 TYR OH : rot -108:sc= 0.546 USER MOD Single : A 56 TYR OH : rot 88:sc= 0.135 USER MOD Single : A 57 SER OG : rot 130:sc= -0.151 USER MOD Single : A 60 GLN : amide:sc= -0.0941 K(o=-0.094,f=-8.4!) USER MOD Single : A 67 GLN : amide:sc= -0.521 K(o=-0.52,f=-2.8) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.122 USER MOD Single : A 81 SER OG : rot 180:sc= -0.318 USER MOD Single : A 82 ASN : amide:sc=-0.00502 K(o=-0.005,f=-0.51) USER MOD Single : A 89 HIS : no HD1:sc= -0.0176 X(o=-0.018,f=-0.37) USER MOD Single : A 90 HIS : no HE2:sc= 1.06 K(o=1.1,f=-3.1!) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.0634 USER MOD Single : A 93 THR OG1 : rot -72:sc= 1.2 USER MOD Single : A 94 LYS NZ :NH3+ -166:sc= -0.042 (180deg=-0.268) USER MOD Single : A 95 GLN : amide:sc= -0.201 X(o=-0.2,f=-0.058) USER MOD Single : A 99 LYS NZ :NH3+ -171:sc= -0.0211 (180deg=-0.137) USER MOD Single : A 100 LYS NZ :NH3+ 150:sc= 1.13 (180deg=0.9) USER MOD Single : A 107 ASN : amide:sc= -2.04! K(o=-2!,f=-0.74) USER MOD Single : A 111 LYS NZ :NH3+ -133:sc= 1.24 (180deg=-0.288) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ 153:sc= 1.19 (180deg=0.0487) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 19.509 -11.197 -24.166 1.00 75.41 N ATOM 2 CA MET A 1 20.347 -11.939 -23.182 1.00 22.21 C ATOM 3 C MET A 1 20.530 -13.411 -23.591 1.00 1.32 C ATOM 4 O MET A 1 21.215 -14.174 -22.905 1.00 30.10 O ATOM 5 CB MET A 1 19.706 -11.861 -21.789 1.00 33.53 C ATOM 6 CG MET A 1 18.443 -12.703 -21.639 1.00 14.13 C ATOM 7 SD MET A 1 17.274 -12.463 -22.991 1.00 52.13 S ATOM 8 CE MET A 1 15.923 -13.515 -22.460 1.00 45.34 C ATOM 0 H1 MET A 1 19.223 -10.284 -23.759 1.00 75.41 H new ATOM 0 H2 MET A 1 20.057 -11.033 -25.035 1.00 75.41 H new ATOM 0 H3 MET A 1 18.662 -11.756 -24.392 1.00 75.41 H new ATOM 0 HA MET A 1 21.332 -11.472 -23.160 1.00 22.21 H new ATOM 0 HB2 MET A 1 20.436 -12.183 -21.046 1.00 33.53 H new ATOM 0 HB3 MET A 1 19.465 -10.821 -21.569 1.00 33.53 H new ATOM 0 HG2 MET A 1 18.719 -13.756 -21.587 1.00 14.13 H new ATOM 0 HG3 MET A 1 17.956 -12.454 -20.696 1.00 14.13 H new ATOM 0 HE1 MET A 1 15.275 -13.731 -23.309 1.00 45.34 H new ATOM 0 HE2 MET A 1 16.323 -14.448 -22.062 1.00 45.34 H new ATOM 0 HE3 MET A 1 15.349 -13.007 -21.685 1.00 45.34 H new ATOM 20 N GLY A 2 19.924 -13.799 -24.713 1.00 33.55 N ATOM 21 CA GLY A 2 19.979 -15.186 -25.162 1.00 22.22 C ATOM 22 C GLY A 2 18.792 -15.563 -26.045 1.00 54.23 C ATOM 23 O GLY A 2 18.866 -15.474 -27.273 1.00 30.04 O ATOM 0 H GLY A 2 19.394 -13.176 -25.322 1.00 33.55 H new ATOM 0 HA2 GLY A 2 20.905 -15.349 -25.714 1.00 22.22 H new ATOM 0 HA3 GLY A 2 20.005 -15.845 -24.294 1.00 22.22 H new ATOM 27 N HIS A 3 17.685 -15.967 -25.420 1.00 53.11 N ATOM 28 CA HIS A 3 16.465 -16.327 -26.158 1.00 32.43 C ATOM 29 C HIS A 3 15.769 -15.071 -26.715 1.00 25.34 C ATOM 30 O HIS A 3 14.926 -15.157 -27.607 1.00 34.41 O ATOM 31 CB HIS A 3 15.509 -17.118 -25.250 1.00 61.42 C ATOM 32 CG HIS A 3 14.433 -17.850 -25.999 1.00 12.41 C ATOM 33 ND1 HIS A 3 14.594 -19.134 -26.464 1.00 73.32 N ATOM 34 CD2 HIS A 3 13.182 -17.476 -26.362 1.00 11.42 C ATOM 35 CE1 HIS A 3 13.497 -19.520 -27.081 1.00 60.41 C ATOM 36 NE2 HIS A 3 12.625 -18.537 -27.033 1.00 22.41 N ATOM 0 H HIS A 3 17.604 -16.054 -24.407 1.00 53.11 H new ATOM 0 HA HIS A 3 16.747 -16.957 -27.002 1.00 32.43 H new ATOM 0 HB2 HIS A 3 16.086 -17.836 -24.667 1.00 61.42 H new ATOM 0 HB3 HIS A 3 15.044 -16.432 -24.542 1.00 61.42 H new ATOM 0 HD2 HIS A 3 12.712 -16.524 -26.162 1.00 11.42 H new ATOM 0 HE1 HIS A 3 13.340 -20.481 -27.548 1.00 60.41 H new ATOM 0 HE2 HIS A 3 11.686 -18.559 -27.430 1.00 22.41 H new ATOM 45 N HIS A 4 16.114 -13.909 -26.161 1.00 74.13 N ATOM 46 CA HIS A 4 15.634 -12.616 -26.670 1.00 3.12 C ATOM 47 C HIS A 4 16.785 -11.601 -26.734 1.00 41.35 C ATOM 48 O HIS A 4 17.694 -11.635 -25.901 1.00 74.43 O ATOM 49 CB HIS A 4 14.513 -12.049 -25.783 1.00 12.52 C ATOM 50 CG HIS A 4 13.271 -12.881 -25.754 1.00 72.33 C ATOM 51 ND1 HIS A 4 12.579 -13.163 -24.595 1.00 13.04 N ATOM 52 CD2 HIS A 4 12.582 -13.481 -26.751 1.00 54.40 C ATOM 53 CE1 HIS A 4 11.525 -13.897 -24.879 1.00 44.21 C ATOM 54 NE2 HIS A 4 11.504 -14.103 -26.179 1.00 33.35 N ATOM 0 H HIS A 4 16.730 -13.833 -25.352 1.00 74.13 H new ATOM 0 HA HIS A 4 15.240 -12.787 -27.672 1.00 3.12 H new ATOM 0 HB2 HIS A 4 14.889 -11.943 -24.765 1.00 12.52 H new ATOM 0 HB3 HIS A 4 14.258 -11.049 -26.134 1.00 12.52 H new ATOM 0 HD2 HIS A 4 12.834 -13.472 -27.801 1.00 54.40 H new ATOM 0 HE1 HIS A 4 10.801 -14.267 -24.168 1.00 44.21 H new ATOM 0 HE2 HIS A 4 10.797 -14.641 -26.681 1.00 33.35 H new ATOM 63 N HIS A 5 16.738 -10.701 -27.716 1.00 25.03 N ATOM 64 CA HIS A 5 17.750 -9.640 -27.846 1.00 41.21 C ATOM 65 C HIS A 5 17.712 -8.677 -26.645 1.00 74.45 C ATOM 66 O HIS A 5 18.694 -7.987 -26.363 1.00 53.24 O ATOM 67 CB HIS A 5 17.545 -8.867 -29.157 1.00 11.14 C ATOM 68 CG HIS A 5 18.546 -7.772 -29.373 1.00 43.43 C ATOM 69 ND1 HIS A 5 18.225 -6.434 -29.290 1.00 13.44 N ATOM 70 CD2 HIS A 5 19.869 -7.821 -29.667 1.00 12.10 C ATOM 71 CE1 HIS A 5 19.304 -5.709 -29.519 1.00 22.12 C ATOM 72 NE2 HIS A 5 20.313 -6.524 -29.751 1.00 64.13 N ATOM 0 H HIS A 5 16.014 -10.681 -28.434 1.00 25.03 H new ATOM 0 HA HIS A 5 18.732 -10.114 -27.863 1.00 41.21 H new ATOM 0 HB2 HIS A 5 17.597 -9.565 -29.992 1.00 11.14 H new ATOM 0 HB3 HIS A 5 16.543 -8.438 -29.163 1.00 11.14 H new ATOM 0 HD2 HIS A 5 20.462 -8.712 -29.808 1.00 12.10 H new ATOM 0 HE1 HIS A 5 19.352 -4.630 -29.517 1.00 22.12 H new ATOM 0 HE2 HIS A 5 21.270 -6.238 -29.959 1.00 64.13 H new ATOM 81 N HIS A 6 16.572 -8.638 -25.947 1.00 44.52 N ATOM 82 CA HIS A 6 16.429 -7.826 -24.728 1.00 13.11 C ATOM 83 C HIS A 6 17.540 -8.151 -23.715 1.00 4.32 C ATOM 84 O HIS A 6 17.838 -9.318 -23.460 1.00 32.23 O ATOM 85 CB HIS A 6 15.060 -8.057 -24.074 1.00 64.13 C ATOM 86 CG HIS A 6 13.897 -7.576 -24.892 1.00 1.23 C ATOM 87 ND1 HIS A 6 13.400 -6.294 -24.809 1.00 74.14 N ATOM 88 CD2 HIS A 6 13.119 -8.216 -25.797 1.00 74.34 C ATOM 89 CE1 HIS A 6 12.371 -6.166 -25.622 1.00 13.03 C ATOM 90 NE2 HIS A 6 12.179 -7.315 -26.234 1.00 50.31 N ATOM 0 H HIS A 6 15.733 -9.159 -26.203 1.00 44.52 H new ATOM 0 HA HIS A 6 16.512 -6.780 -25.022 1.00 13.11 H new ATOM 0 HB2 HIS A 6 14.938 -9.123 -23.881 1.00 64.13 H new ATOM 0 HB3 HIS A 6 15.042 -7.554 -23.107 1.00 64.13 H new ATOM 0 HD2 HIS A 6 13.219 -9.243 -26.116 1.00 74.34 H new ATOM 0 HE1 HIS A 6 11.785 -5.270 -25.762 1.00 13.03 H new ATOM 0 HE2 HIS A 6 11.450 -7.506 -26.922 1.00 50.31 H new ATOM 99 N HIS A 7 18.149 -7.116 -23.148 1.00 42.51 N ATOM 100 CA HIS A 7 19.248 -7.295 -22.193 1.00 32.14 C ATOM 101 C HIS A 7 18.898 -6.719 -20.807 1.00 50.05 C ATOM 102 O HIS A 7 19.402 -7.191 -19.786 1.00 22.32 O ATOM 103 CB HIS A 7 20.525 -6.640 -22.735 1.00 72.15 C ATOM 104 CG HIS A 7 21.755 -6.974 -21.945 1.00 41.22 C ATOM 105 ND1 HIS A 7 22.450 -6.045 -21.210 1.00 75.25 N ATOM 106 CD2 HIS A 7 22.416 -8.146 -21.784 1.00 43.43 C ATOM 107 CE1 HIS A 7 23.484 -6.622 -20.632 1.00 72.32 C ATOM 108 NE2 HIS A 7 23.487 -7.896 -20.962 1.00 22.15 N ATOM 0 H HIS A 7 17.904 -6.143 -23.330 1.00 42.51 H new ATOM 0 HA HIS A 7 19.415 -8.365 -22.071 1.00 32.14 H new ATOM 0 HB2 HIS A 7 20.672 -6.952 -23.769 1.00 72.15 H new ATOM 0 HB3 HIS A 7 20.392 -5.558 -22.744 1.00 72.15 H new ATOM 0 HD2 HIS A 7 22.150 -9.098 -22.220 1.00 43.43 H new ATOM 0 HE1 HIS A 7 24.206 -6.133 -19.996 1.00 72.32 H new ATOM 0 HE2 HIS A 7 24.174 -8.586 -20.657 1.00 22.15 H new ATOM 117 N HIS A 8 18.042 -5.698 -20.778 1.00 23.12 N ATOM 118 CA HIS A 8 17.616 -5.078 -19.514 1.00 23.30 C ATOM 119 C HIS A 8 16.168 -4.569 -19.595 1.00 61.23 C ATOM 120 O HIS A 8 15.660 -4.283 -20.677 1.00 73.12 O ATOM 121 CB HIS A 8 18.565 -3.929 -19.140 1.00 41.24 C ATOM 122 CG HIS A 8 18.627 -2.828 -20.157 1.00 63.22 C ATOM 123 ND1 HIS A 8 17.921 -1.650 -20.039 1.00 74.03 N ATOM 124 CD2 HIS A 8 19.335 -2.722 -21.306 1.00 22.01 C ATOM 125 CE1 HIS A 8 18.186 -0.872 -21.068 1.00 31.22 C ATOM 126 NE2 HIS A 8 19.040 -1.497 -21.851 1.00 13.44 N ATOM 0 H HIS A 8 17.628 -5.280 -21.611 1.00 23.12 H new ATOM 0 HA HIS A 8 17.656 -5.842 -18.737 1.00 23.30 H new ATOM 0 HB2 HIS A 8 18.250 -3.509 -18.185 1.00 41.24 H new ATOM 0 HB3 HIS A 8 19.567 -4.333 -18.996 1.00 41.24 H new ATOM 0 HD2 HIS A 8 20.006 -3.462 -21.717 1.00 22.01 H new ATOM 0 HE1 HIS A 8 17.773 0.111 -21.240 1.00 31.22 H new ATOM 0 HE2 HIS A 8 19.421 -1.130 -22.723 1.00 13.44 H new ATOM 135 N SER A 9 15.512 -4.451 -18.440 1.00 53.21 N ATOM 136 CA SER A 9 14.102 -4.025 -18.382 1.00 4.12 C ATOM 137 C SER A 9 13.925 -2.749 -17.546 1.00 1.03 C ATOM 138 O SER A 9 14.678 -2.497 -16.606 1.00 62.24 O ATOM 139 CB SER A 9 13.228 -5.139 -17.785 1.00 2.10 C ATOM 140 OG SER A 9 13.257 -6.315 -18.579 1.00 0.34 O ATOM 0 H SER A 9 15.929 -4.643 -17.529 1.00 53.21 H new ATOM 0 HA SER A 9 13.790 -3.815 -19.405 1.00 4.12 H new ATOM 0 HB2 SER A 9 13.574 -5.372 -16.778 1.00 2.10 H new ATOM 0 HB3 SER A 9 12.201 -4.786 -17.696 1.00 2.10 H new ATOM 0 HG SER A 9 12.692 -7.002 -18.168 1.00 0.34 H new ATOM 146 N HIS A 10 12.912 -1.952 -17.889 1.00 71.33 N ATOM 147 CA HIS A 10 12.574 -0.742 -17.123 1.00 5.22 C ATOM 148 C HIS A 10 11.381 -0.998 -16.190 1.00 0.54 C ATOM 149 O HIS A 10 10.500 -1.803 -16.499 1.00 42.31 O ATOM 150 CB HIS A 10 12.241 0.424 -18.063 1.00 52.14 C ATOM 151 CG HIS A 10 13.406 0.915 -18.866 1.00 13.02 C ATOM 152 ND1 HIS A 10 14.134 2.030 -18.520 1.00 14.23 N ATOM 153 CD2 HIS A 10 13.956 0.456 -20.015 1.00 21.43 C ATOM 154 CE1 HIS A 10 15.072 2.240 -19.416 1.00 72.01 C ATOM 155 NE2 HIS A 10 14.991 1.302 -20.339 1.00 52.23 N ATOM 0 H HIS A 10 12.308 -2.120 -18.693 1.00 71.33 H new ATOM 0 HA HIS A 10 13.446 -0.481 -16.523 1.00 5.22 H new ATOM 0 HB2 HIS A 10 11.449 0.112 -18.745 1.00 52.14 H new ATOM 0 HB3 HIS A 10 11.846 1.251 -17.473 1.00 52.14 H new ATOM 0 HD2 HIS A 10 13.641 -0.413 -20.573 1.00 21.43 H new ATOM 0 HE1 HIS A 10 15.790 3.047 -19.399 1.00 72.01 H new ATOM 0 HE2 HIS A 10 15.595 1.218 -21.157 1.00 52.23 H new ATOM 164 N MET A 11 11.360 -0.319 -15.047 1.00 32.13 N ATOM 165 CA MET A 11 10.236 -0.427 -14.108 1.00 25.02 C ATOM 166 C MET A 11 9.037 0.420 -14.573 1.00 60.33 C ATOM 167 O MET A 11 9.204 1.450 -15.231 1.00 55.24 O ATOM 168 CB MET A 11 10.673 -0.002 -12.697 1.00 75.15 C ATOM 169 CG MET A 11 11.107 1.457 -12.589 1.00 24.52 C ATOM 170 SD MET A 11 11.688 1.893 -10.936 1.00 13.10 S ATOM 171 CE MET A 11 13.125 0.829 -10.783 1.00 41.24 C ATOM 0 H MET A 11 12.103 0.311 -14.745 1.00 32.13 H new ATOM 0 HA MET A 11 9.922 -1.470 -14.081 1.00 25.02 H new ATOM 0 HB2 MET A 11 9.848 -0.176 -12.006 1.00 75.15 H new ATOM 0 HB3 MET A 11 11.497 -0.639 -12.377 1.00 75.15 H new ATOM 0 HG2 MET A 11 11.901 1.650 -13.311 1.00 24.52 H new ATOM 0 HG3 MET A 11 10.270 2.101 -12.857 1.00 24.52 H new ATOM 0 HE1 MET A 11 13.800 1.235 -10.030 1.00 41.24 H new ATOM 0 HE2 MET A 11 12.808 -0.170 -10.485 1.00 41.24 H new ATOM 0 HE3 MET A 11 13.641 0.775 -11.741 1.00 41.24 H new ATOM 181 N LYS A 12 7.830 -0.022 -14.233 1.00 51.41 N ATOM 182 CA LYS A 12 6.603 0.690 -14.618 1.00 30.14 C ATOM 183 C LYS A 12 6.311 1.888 -13.694 1.00 1.42 C ATOM 184 O LYS A 12 6.550 1.829 -12.484 1.00 13.03 O ATOM 185 CB LYS A 12 5.403 -0.277 -14.602 1.00 52.45 C ATOM 186 CG LYS A 12 5.322 -1.203 -15.815 1.00 31.14 C ATOM 187 CD LYS A 12 4.982 -0.427 -17.085 1.00 71.42 C ATOM 188 CE LYS A 12 4.781 -1.349 -18.284 1.00 74.14 C ATOM 189 NZ LYS A 12 4.364 -0.597 -19.496 1.00 11.22 N ATOM 0 H LYS A 12 7.669 -0.871 -13.691 1.00 51.41 H new ATOM 0 HA LYS A 12 6.757 1.076 -15.626 1.00 30.14 H new ATOM 0 HB2 LYS A 12 5.454 -0.885 -13.699 1.00 52.45 H new ATOM 0 HB3 LYS A 12 4.483 0.305 -14.543 1.00 52.45 H new ATOM 0 HG2 LYS A 12 6.273 -1.719 -15.945 1.00 31.14 H new ATOM 0 HG3 LYS A 12 4.566 -1.968 -15.641 1.00 31.14 H new ATOM 0 HD2 LYS A 12 4.076 0.157 -16.921 1.00 71.42 H new ATOM 0 HD3 LYS A 12 5.782 0.281 -17.302 1.00 71.42 H new ATOM 0 HE2 LYS A 12 5.708 -1.885 -18.490 1.00 74.14 H new ATOM 0 HE3 LYS A 12 4.027 -2.098 -18.044 1.00 74.14 H new ATOM 0 HZ1 LYS A 12 4.043 -1.265 -20.226 1.00 11.22 H new ATOM 0 HZ2 LYS A 12 3.587 0.050 -19.253 1.00 11.22 H new ATOM 0 HZ3 LYS A 12 5.170 -0.049 -19.859 1.00 11.22 H new ATOM 203 N PRO A 13 5.785 2.996 -14.257 1.00 45.42 N ATOM 204 CA PRO A 13 5.334 4.150 -13.461 1.00 1.33 C ATOM 205 C PRO A 13 4.121 3.801 -12.583 1.00 42.03 C ATOM 206 O PRO A 13 3.443 2.800 -12.819 1.00 31.30 O ATOM 207 CB PRO A 13 4.946 5.191 -14.528 1.00 40.41 C ATOM 208 CG PRO A 13 4.641 4.380 -15.741 1.00 44.50 C ATOM 209 CD PRO A 13 5.600 3.222 -15.704 1.00 70.44 C ATOM 0 HA PRO A 13 6.101 4.500 -12.770 1.00 1.33 H new ATOM 0 HB2 PRO A 13 4.083 5.778 -14.215 1.00 40.41 H new ATOM 0 HB3 PRO A 13 5.759 5.893 -14.713 1.00 40.41 H new ATOM 0 HG2 PRO A 13 3.608 4.034 -15.731 1.00 44.50 H new ATOM 0 HG3 PRO A 13 4.772 4.968 -16.649 1.00 44.50 H new ATOM 0 HD2 PRO A 13 5.191 2.343 -16.202 1.00 70.44 H new ATOM 0 HD3 PRO A 13 6.541 3.460 -16.200 1.00 70.44 H new ATOM 217 N LEU A 14 3.846 4.634 -11.579 1.00 71.54 N ATOM 218 CA LEU A 14 2.704 4.418 -10.678 1.00 2.14 C ATOM 219 C LEU A 14 1.394 4.244 -11.467 1.00 4.44 C ATOM 220 O LEU A 14 0.562 3.400 -11.137 1.00 20.10 O ATOM 221 CB LEU A 14 2.577 5.598 -9.698 1.00 31.20 C ATOM 222 CG LEU A 14 1.459 5.477 -8.647 1.00 55.43 C ATOM 223 CD1 LEU A 14 1.680 4.255 -7.758 1.00 64.23 C ATOM 224 CD2 LEU A 14 1.375 6.751 -7.809 1.00 12.25 C ATOM 0 H LEU A 14 4.396 5.466 -11.366 1.00 71.54 H new ATOM 0 HA LEU A 14 2.884 3.500 -10.118 1.00 2.14 H new ATOM 0 HB2 LEU A 14 3.527 5.718 -9.178 1.00 31.20 H new ATOM 0 HB3 LEU A 14 2.412 6.508 -10.274 1.00 31.20 H new ATOM 0 HG LEU A 14 0.510 5.346 -9.168 1.00 55.43 H new ATOM 0 HD11 LEU A 14 0.878 4.190 -7.023 1.00 64.23 H new ATOM 0 HD12 LEU A 14 1.684 3.354 -8.372 1.00 64.23 H new ATOM 0 HD13 LEU A 14 2.637 4.347 -7.244 1.00 64.23 H new ATOM 0 HD21 LEU A 14 0.580 6.649 -7.071 1.00 12.25 H new ATOM 0 HD22 LEU A 14 2.325 6.914 -7.299 1.00 12.25 H new ATOM 0 HD23 LEU A 14 1.161 7.600 -8.458 1.00 12.25 H new ATOM 236 N ALA A 15 1.242 5.034 -12.531 1.00 1.21 N ATOM 237 CA ALA A 15 0.038 5.005 -13.375 1.00 63.52 C ATOM 238 C ALA A 15 -0.146 3.667 -14.119 1.00 24.13 C ATOM 239 O ALA A 15 -1.221 3.393 -14.656 1.00 34.41 O ATOM 240 CB ALA A 15 0.081 6.160 -14.375 1.00 61.33 C ATOM 0 H ALA A 15 1.943 5.710 -12.834 1.00 1.21 H new ATOM 0 HA ALA A 15 -0.820 5.114 -12.711 1.00 63.52 H new ATOM 0 HB1 ALA A 15 -0.813 6.135 -14.998 1.00 61.33 H new ATOM 0 HB2 ALA A 15 0.121 7.107 -13.836 1.00 61.33 H new ATOM 0 HB3 ALA A 15 0.965 6.063 -15.005 1.00 61.33 H new ATOM 246 N GLU A 16 0.901 2.838 -14.163 1.00 34.43 N ATOM 247 CA GLU A 16 0.830 1.538 -14.853 1.00 4.42 C ATOM 248 C GLU A 16 0.959 0.357 -13.873 1.00 23.52 C ATOM 249 O GLU A 16 1.029 -0.802 -14.291 1.00 62.42 O ATOM 250 CB GLU A 16 1.913 1.440 -15.939 1.00 12.04 C ATOM 251 CG GLU A 16 1.798 2.499 -17.034 1.00 52.33 C ATOM 252 CD GLU A 16 2.631 2.168 -18.265 1.00 14.02 C ATOM 253 OE1 GLU A 16 2.270 1.223 -18.996 1.00 42.03 O ATOM 254 OE2 GLU A 16 3.642 2.856 -18.514 1.00 52.34 O ATOM 0 H GLU A 16 1.804 3.038 -13.733 1.00 34.43 H new ATOM 0 HA GLU A 16 -0.153 1.477 -15.320 1.00 4.42 H new ATOM 0 HB2 GLU A 16 2.893 1.525 -15.468 1.00 12.04 H new ATOM 0 HB3 GLU A 16 1.864 0.452 -16.397 1.00 12.04 H new ATOM 0 HG2 GLU A 16 0.753 2.602 -17.325 1.00 52.33 H new ATOM 0 HG3 GLU A 16 2.114 3.463 -16.635 1.00 52.33 H new ATOM 261 N GLN A 17 0.972 0.651 -12.575 1.00 3.33 N ATOM 262 CA GLN A 17 1.067 -0.392 -11.544 1.00 70.44 C ATOM 263 C GLN A 17 -0.310 -1.013 -11.251 1.00 34.25 C ATOM 264 O GLN A 17 -1.268 -0.305 -10.951 1.00 64.44 O ATOM 265 CB GLN A 17 1.664 0.192 -10.258 1.00 14.23 C ATOM 266 CG GLN A 17 3.119 0.636 -10.394 1.00 35.10 C ATOM 267 CD GLN A 17 4.082 -0.522 -10.623 1.00 40.41 C ATOM 268 OE1 GLN A 17 3.853 -1.640 -10.175 1.00 14.12 O ATOM 269 NE2 GLN A 17 5.175 -0.262 -11.309 1.00 21.53 N ATOM 0 H GLN A 17 0.918 1.601 -12.207 1.00 3.33 H new ATOM 0 HA GLN A 17 1.721 -1.179 -11.919 1.00 70.44 H new ATOM 0 HB2 GLN A 17 1.062 1.045 -9.945 1.00 14.23 H new ATOM 0 HB3 GLN A 17 1.595 -0.554 -9.466 1.00 14.23 H new ATOM 0 HG2 GLN A 17 3.202 1.338 -11.224 1.00 35.10 H new ATOM 0 HG3 GLN A 17 3.414 1.172 -9.492 1.00 35.10 H new ATOM 0 HE21 GLN A 17 5.339 0.678 -11.670 1.00 21.53 H new ATOM 0 HE22 GLN A 17 5.858 -1.000 -11.480 1.00 21.53 H new ATOM 278 N ASP A 18 -0.394 -2.343 -11.319 1.00 12.52 N ATOM 279 CA ASP A 18 -1.662 -3.052 -11.117 1.00 13.51 C ATOM 280 C ASP A 18 -2.201 -2.886 -9.685 1.00 15.41 C ATOM 281 O ASP A 18 -3.413 -2.826 -9.475 1.00 51.24 O ATOM 282 CB ASP A 18 -1.500 -4.537 -11.462 1.00 23.22 C ATOM 283 CG ASP A 18 -1.213 -4.749 -12.940 1.00 41.45 C ATOM 284 OD1 ASP A 18 -2.174 -4.791 -13.740 1.00 41.34 O ATOM 285 OD2 ASP A 18 -0.026 -4.859 -13.318 1.00 42.20 O ATOM 0 H ASP A 18 0.401 -2.952 -11.512 1.00 12.52 H new ATOM 0 HA ASP A 18 -2.395 -2.606 -11.789 1.00 13.51 H new ATOM 0 HB2 ASP A 18 -0.688 -4.960 -10.870 1.00 23.22 H new ATOM 0 HB3 ASP A 18 -2.408 -5.074 -11.188 1.00 23.22 H new ATOM 290 N TRP A 19 -1.301 -2.805 -8.709 1.00 22.11 N ATOM 291 CA TRP A 19 -1.704 -2.601 -7.311 1.00 52.11 C ATOM 292 C TRP A 19 -2.224 -1.172 -7.065 1.00 23.03 C ATOM 293 O TRP A 19 -2.858 -0.905 -6.047 1.00 31.42 O ATOM 294 CB TRP A 19 -0.551 -2.944 -6.347 1.00 2.31 C ATOM 295 CG TRP A 19 0.792 -2.411 -6.762 1.00 12.52 C ATOM 296 CD1 TRP A 19 1.755 -3.083 -7.463 1.00 13.35 C ATOM 297 CD2 TRP A 19 1.330 -1.108 -6.498 1.00 24.44 C ATOM 298 NE1 TRP A 19 2.852 -2.280 -7.648 1.00 63.31 N ATOM 299 CE2 TRP A 19 2.617 -1.064 -7.066 1.00 3.53 C ATOM 300 CE3 TRP A 19 0.850 0.027 -5.838 1.00 21.30 C ATOM 301 CZ2 TRP A 19 3.428 0.066 -6.993 1.00 10.10 C ATOM 302 CZ3 TRP A 19 1.655 1.148 -5.767 1.00 75.31 C ATOM 303 CH2 TRP A 19 2.931 1.161 -6.344 1.00 73.34 C ATOM 0 H TRP A 19 -0.294 -2.876 -8.853 1.00 22.11 H new ATOM 0 HA TRP A 19 -2.530 -3.284 -7.110 1.00 52.11 H new ATOM 0 HB2 TRP A 19 -0.793 -2.553 -5.359 1.00 2.31 H new ATOM 0 HB3 TRP A 19 -0.484 -4.028 -6.253 1.00 2.31 H new ATOM 0 HD1 TRP A 19 1.665 -4.099 -7.819 1.00 13.35 H new ATOM 0 HE1 TRP A 19 3.705 -2.546 -8.140 1.00 63.31 H new ATOM 0 HE3 TRP A 19 -0.133 0.028 -5.391 1.00 21.30 H new ATOM 0 HZ2 TRP A 19 4.414 0.076 -7.433 1.00 10.10 H new ATOM 0 HZ3 TRP A 19 1.294 2.029 -5.258 1.00 75.31 H new ATOM 0 HH2 TRP A 19 3.534 2.054 -6.275 1.00 73.34 H new ATOM 314 N TYR A 20 -1.970 -0.264 -8.008 1.00 71.52 N ATOM 315 CA TYR A 20 -2.477 1.113 -7.918 1.00 50.32 C ATOM 316 C TYR A 20 -3.854 1.232 -8.601 1.00 21.22 C ATOM 317 O TYR A 20 -3.975 1.057 -9.808 1.00 41.13 O ATOM 318 CB TYR A 20 -1.476 2.084 -8.563 1.00 1.14 C ATOM 319 CG TYR A 20 -1.930 3.533 -8.563 1.00 25.53 C ATOM 320 CD1 TYR A 20 -2.073 4.239 -7.371 1.00 11.34 C ATOM 321 CD2 TYR A 20 -2.212 4.196 -9.755 1.00 14.40 C ATOM 322 CE1 TYR A 20 -2.484 5.560 -7.370 1.00 61.31 C ATOM 323 CE2 TYR A 20 -2.622 5.516 -9.758 1.00 51.23 C ATOM 324 CZ TYR A 20 -2.756 6.194 -8.563 1.00 13.53 C ATOM 325 OH TYR A 20 -3.166 7.510 -8.564 1.00 74.43 O ATOM 0 H TYR A 20 -1.417 -0.453 -8.844 1.00 71.52 H new ATOM 0 HA TYR A 20 -2.594 1.372 -6.866 1.00 50.32 H new ATOM 0 HB2 TYR A 20 -0.525 2.012 -8.035 1.00 1.14 H new ATOM 0 HB3 TYR A 20 -1.294 1.771 -9.591 1.00 1.14 H new ATOM 0 HD1 TYR A 20 -1.860 3.748 -6.433 1.00 11.34 H new ATOM 0 HD2 TYR A 20 -2.109 3.670 -10.693 1.00 14.40 H new ATOM 0 HE1 TYR A 20 -2.591 6.093 -6.437 1.00 61.31 H new ATOM 0 HE2 TYR A 20 -2.837 6.015 -10.691 1.00 51.23 H new ATOM 0 HH TYR A 20 -3.315 7.806 -9.486 1.00 74.43 H new ATOM 335 N HIS A 21 -4.894 1.531 -7.822 1.00 70.52 N ATOM 336 CA HIS A 21 -6.268 1.585 -8.355 1.00 23.32 C ATOM 337 C HIS A 21 -6.772 3.028 -8.533 1.00 41.14 C ATOM 338 O HIS A 21 -7.975 3.262 -8.643 1.00 32.23 O ATOM 339 CB HIS A 21 -7.215 0.799 -7.438 1.00 75.21 C ATOM 340 CG HIS A 21 -6.967 -0.681 -7.453 1.00 21.22 C ATOM 341 ND1 HIS A 21 -7.963 -1.611 -7.651 1.00 62.25 N ATOM 342 CD2 HIS A 21 -5.827 -1.395 -7.295 1.00 70.33 C ATOM 343 CE1 HIS A 21 -7.451 -2.821 -7.613 1.00 23.13 C ATOM 344 NE2 HIS A 21 -6.155 -2.722 -7.399 1.00 61.24 N ATOM 0 H HIS A 21 -4.819 1.739 -6.826 1.00 70.52 H new ATOM 0 HA HIS A 21 -6.253 1.128 -9.345 1.00 23.32 H new ATOM 0 HB2 HIS A 21 -7.109 1.167 -6.418 1.00 75.21 H new ATOM 0 HB3 HIS A 21 -8.244 0.991 -7.741 1.00 75.21 H new ATOM 0 HD1 HIS A 21 -8.948 -1.394 -7.804 1.00 62.25 H new ATOM 0 HD2 HIS A 21 -4.840 -0.993 -7.119 1.00 70.33 H new ATOM 0 HE1 HIS A 21 -8.001 -3.742 -7.737 1.00 23.13 H new ATOM 353 N GLY A 22 -5.849 3.985 -8.575 1.00 33.21 N ATOM 354 CA GLY A 22 -6.218 5.380 -8.808 1.00 30.10 C ATOM 355 C GLY A 22 -6.822 6.072 -7.588 1.00 34.44 C ATOM 356 O GLY A 22 -6.626 5.641 -6.448 1.00 50.02 O ATOM 0 H GLY A 22 -4.849 3.824 -8.452 1.00 33.21 H new ATOM 0 HA2 GLY A 22 -5.333 5.932 -9.125 1.00 30.10 H new ATOM 0 HA3 GLY A 22 -6.933 5.424 -9.630 1.00 30.10 H new ATOM 360 N ALA A 23 -7.557 7.153 -7.827 1.00 73.14 N ATOM 361 CA ALA A 23 -8.184 7.917 -6.749 1.00 41.34 C ATOM 362 C ALA A 23 -9.597 7.403 -6.434 1.00 10.33 C ATOM 363 O ALA A 23 -10.592 7.921 -6.949 1.00 72.04 O ATOM 364 CB ALA A 23 -8.221 9.401 -7.106 1.00 25.10 C ATOM 0 H ALA A 23 -7.735 7.523 -8.761 1.00 73.14 H new ATOM 0 HA ALA A 23 -7.580 7.782 -5.852 1.00 41.34 H new ATOM 0 HB1 ALA A 23 -8.690 9.959 -6.295 1.00 25.10 H new ATOM 0 HB2 ALA A 23 -7.204 9.765 -7.256 1.00 25.10 H new ATOM 0 HB3 ALA A 23 -8.795 9.541 -8.022 1.00 25.10 H new ATOM 370 N ILE A 24 -9.677 6.373 -5.597 1.00 63.43 N ATOM 371 CA ILE A 24 -10.965 5.808 -5.179 1.00 75.44 C ATOM 372 C ILE A 24 -11.234 6.080 -3.687 1.00 53.11 C ATOM 373 O ILE A 24 -10.298 6.194 -2.888 1.00 25.04 O ATOM 374 CB ILE A 24 -11.026 4.278 -5.435 1.00 54.10 C ATOM 375 CG1 ILE A 24 -9.963 3.537 -4.606 1.00 73.13 C ATOM 376 CG2 ILE A 24 -10.858 3.972 -6.925 1.00 1.14 C ATOM 377 CD1 ILE A 24 -10.015 2.029 -4.745 1.00 4.34 C ATOM 0 H ILE A 24 -8.865 5.908 -5.191 1.00 63.43 H new ATOM 0 HA ILE A 24 -11.732 6.298 -5.779 1.00 75.44 H new ATOM 0 HB ILE A 24 -12.007 3.923 -5.120 1.00 54.10 H new ATOM 0 HG12 ILE A 24 -8.975 3.886 -4.906 1.00 73.13 H new ATOM 0 HG13 ILE A 24 -10.088 3.799 -3.555 1.00 73.13 H new ATOM 0 HG21 ILE A 24 -10.904 2.894 -7.083 1.00 1.14 H new ATOM 0 HG22 ILE A 24 -11.656 4.455 -7.488 1.00 1.14 H new ATOM 0 HG23 ILE A 24 -9.894 4.348 -7.267 1.00 1.14 H new ATOM 0 HD11 ILE A 24 -9.235 1.580 -4.131 1.00 4.34 H new ATOM 0 HD12 ILE A 24 -10.989 1.667 -4.417 1.00 4.34 H new ATOM 0 HD13 ILE A 24 -9.859 1.754 -5.788 1.00 4.34 H new ATOM 389 N PRO A 25 -12.515 6.196 -3.283 1.00 61.45 N ATOM 390 CA PRO A 25 -12.878 6.420 -1.873 1.00 72.50 C ATOM 391 C PRO A 25 -12.530 5.225 -0.962 1.00 23.23 C ATOM 392 O PRO A 25 -12.330 4.100 -1.430 1.00 64.01 O ATOM 393 CB PRO A 25 -14.396 6.644 -1.923 1.00 2.53 C ATOM 394 CG PRO A 25 -14.842 5.981 -3.183 1.00 42.40 C ATOM 395 CD PRO A 25 -13.704 6.134 -4.158 1.00 50.01 C ATOM 0 HA PRO A 25 -12.325 7.256 -1.446 1.00 72.50 H new ATOM 0 HB2 PRO A 25 -14.888 6.210 -1.053 1.00 2.53 H new ATOM 0 HB3 PRO A 25 -14.638 7.707 -1.929 1.00 2.53 H new ATOM 0 HG2 PRO A 25 -15.070 4.929 -3.011 1.00 42.40 H new ATOM 0 HG3 PRO A 25 -15.750 6.445 -3.568 1.00 42.40 H new ATOM 0 HD2 PRO A 25 -13.651 5.294 -4.850 1.00 50.01 H new ATOM 0 HD3 PRO A 25 -13.808 7.037 -4.760 1.00 50.01 H new ATOM 403 N ARG A 26 -12.463 5.482 0.347 1.00 32.01 N ATOM 404 CA ARG A 26 -12.099 4.452 1.334 1.00 60.45 C ATOM 405 C ARG A 26 -13.045 3.242 1.264 1.00 23.35 C ATOM 406 O ARG A 26 -12.628 2.098 1.460 1.00 12.01 O ATOM 407 CB ARG A 26 -12.112 5.054 2.748 1.00 33.15 C ATOM 408 CG ARG A 26 -11.595 4.113 3.833 1.00 22.03 C ATOM 409 CD ARG A 26 -11.624 4.773 5.210 1.00 11.12 C ATOM 410 NE ARG A 26 -10.858 6.021 5.246 1.00 42.44 N ATOM 411 CZ ARG A 26 -10.701 6.757 6.315 1.00 4.24 C ATOM 412 NH1 ARG A 26 -11.218 6.394 7.443 1.00 33.23 N ATOM 413 NH2 ARG A 26 -10.030 7.861 6.246 1.00 1.10 N ATOM 0 H ARG A 26 -12.656 6.398 0.753 1.00 32.01 H new ATOM 0 HA ARG A 26 -11.094 4.101 1.099 1.00 60.45 H new ATOM 0 HB2 ARG A 26 -11.507 5.961 2.750 1.00 33.15 H new ATOM 0 HB3 ARG A 26 -13.131 5.350 2.995 1.00 33.15 H new ATOM 0 HG2 ARG A 26 -12.202 3.208 3.850 1.00 22.03 H new ATOM 0 HG3 ARG A 26 -10.575 3.809 3.596 1.00 22.03 H new ATOM 0 HD2 ARG A 26 -12.657 4.976 5.491 1.00 11.12 H new ATOM 0 HD3 ARG A 26 -11.222 4.081 5.950 1.00 11.12 H new ATOM 0 HE ARG A 26 -10.419 6.336 4.381 1.00 42.44 H new ATOM 0 HH11 ARG A 26 -11.753 5.528 7.504 1.00 33.23 H new ATOM 0 HH12 ARG A 26 -11.091 6.974 8.272 1.00 33.23 H new ATOM 0 HH21 ARG A 26 -9.624 8.156 5.358 1.00 1.10 H new ATOM 0 HH22 ARG A 26 -9.907 8.436 7.079 1.00 1.10 H new ATOM 427 N ILE A 27 -14.319 3.507 0.981 1.00 11.14 N ATOM 428 CA ILE A 27 -15.313 2.441 0.807 1.00 70.42 C ATOM 429 C ILE A 27 -14.883 1.449 -0.289 1.00 44.51 C ATOM 430 O ILE A 27 -14.769 0.249 -0.045 1.00 40.04 O ATOM 431 CB ILE A 27 -16.710 3.021 0.460 1.00 41.44 C ATOM 432 CG1 ILE A 27 -17.147 4.043 1.523 1.00 22.42 C ATOM 433 CG2 ILE A 27 -17.741 1.900 0.340 1.00 42.32 C ATOM 434 CD1 ILE A 27 -18.470 4.722 1.221 1.00 54.54 C ATOM 0 H ILE A 27 -14.691 4.450 0.867 1.00 11.14 H new ATOM 0 HA ILE A 27 -15.378 1.911 1.757 1.00 70.42 H new ATOM 0 HB ILE A 27 -16.642 3.530 -0.501 1.00 41.44 H new ATOM 0 HG12 ILE A 27 -17.221 3.540 2.487 1.00 22.42 H new ATOM 0 HG13 ILE A 27 -16.373 4.805 1.619 1.00 22.42 H new ATOM 0 HG21 ILE A 27 -18.714 2.326 0.096 1.00 42.32 H new ATOM 0 HG22 ILE A 27 -17.439 1.211 -0.448 1.00 42.32 H new ATOM 0 HG23 ILE A 27 -17.806 1.363 1.286 1.00 42.32 H new ATOM 0 HD11 ILE A 27 -18.707 5.427 2.018 1.00 54.54 H new ATOM 0 HD12 ILE A 27 -18.397 5.256 0.273 1.00 54.54 H new ATOM 0 HD13 ILE A 27 -19.257 3.971 1.155 1.00 54.54 H new ATOM 446 N GLU A 28 -14.622 1.962 -1.488 1.00 50.52 N ATOM 447 CA GLU A 28 -14.170 1.127 -2.613 1.00 24.21 C ATOM 448 C GLU A 28 -12.884 0.354 -2.266 1.00 43.11 C ATOM 449 O GLU A 28 -12.684 -0.779 -2.709 1.00 62.54 O ATOM 450 CB GLU A 28 -13.928 2.005 -3.850 1.00 62.51 C ATOM 451 CG GLU A 28 -15.192 2.657 -4.408 1.00 51.11 C ATOM 452 CD GLU A 28 -16.105 1.672 -5.123 1.00 32.20 C ATOM 453 OE1 GLU A 28 -16.901 0.980 -4.451 1.00 20.55 O ATOM 454 OE2 GLU A 28 -16.030 1.589 -6.366 1.00 41.32 O ATOM 0 H GLU A 28 -14.714 2.953 -1.713 1.00 50.52 H new ATOM 0 HA GLU A 28 -14.954 0.399 -2.824 1.00 24.21 H new ATOM 0 HB2 GLU A 28 -13.212 2.786 -3.594 1.00 62.51 H new ATOM 0 HB3 GLU A 28 -13.471 1.397 -4.630 1.00 62.51 H new ATOM 0 HG2 GLU A 28 -15.742 3.127 -3.592 1.00 51.11 H new ATOM 0 HG3 GLU A 28 -14.909 3.450 -5.100 1.00 51.11 H new ATOM 461 N ALA A 29 -12.028 0.977 -1.455 1.00 62.24 N ATOM 462 CA ALA A 29 -10.746 0.383 -1.059 1.00 50.04 C ATOM 463 C ALA A 29 -10.930 -0.842 -0.145 1.00 34.42 C ATOM 464 O ALA A 29 -10.126 -1.771 -0.177 1.00 12.13 O ATOM 465 CB ALA A 29 -9.870 1.430 -0.371 1.00 1.23 C ATOM 0 H ALA A 29 -12.199 1.900 -1.056 1.00 62.24 H new ATOM 0 HA ALA A 29 -10.253 0.038 -1.968 1.00 50.04 H new ATOM 0 HB1 ALA A 29 -8.921 0.978 -0.082 1.00 1.23 H new ATOM 0 HB2 ALA A 29 -9.684 2.256 -1.057 1.00 1.23 H new ATOM 0 HB3 ALA A 29 -10.379 1.804 0.517 1.00 1.23 H new ATOM 471 N GLN A 30 -11.977 -0.833 0.681 1.00 73.05 N ATOM 472 CA GLN A 30 -12.253 -1.961 1.586 1.00 52.32 C ATOM 473 C GLN A 30 -13.104 -3.049 0.906 1.00 60.31 C ATOM 474 O GLN A 30 -12.947 -4.237 1.192 1.00 41.24 O ATOM 475 CB GLN A 30 -12.951 -1.478 2.872 1.00 11.23 C ATOM 476 CG GLN A 30 -14.323 -0.850 2.640 1.00 55.11 C ATOM 477 CD GLN A 30 -15.065 -0.535 3.928 1.00 3.55 C ATOM 478 OE1 GLN A 30 -14.884 -1.198 4.944 1.00 65.15 O ATOM 479 NE2 GLN A 30 -15.925 0.465 3.897 1.00 51.14 N ATOM 0 H GLN A 30 -12.646 -0.066 0.746 1.00 73.05 H new ATOM 0 HA GLN A 30 -11.290 -2.400 1.847 1.00 52.32 H new ATOM 0 HB2 GLN A 30 -13.061 -2.323 3.552 1.00 11.23 H new ATOM 0 HB3 GLN A 30 -12.310 -0.750 3.369 1.00 11.23 H new ATOM 0 HG2 GLN A 30 -14.202 0.068 2.065 1.00 55.11 H new ATOM 0 HG3 GLN A 30 -14.928 -1.527 2.037 1.00 55.11 H new ATOM 0 HE21 GLN A 30 -16.055 0.999 3.038 1.00 51.14 H new ATOM 0 HE22 GLN A 30 -16.460 0.704 4.732 1.00 51.14 H new ATOM 488 N GLU A 31 -13.991 -2.635 -0.001 1.00 62.01 N ATOM 489 CA GLU A 31 -14.926 -3.560 -0.669 1.00 42.22 C ATOM 490 C GLU A 31 -14.209 -4.692 -1.425 1.00 43.21 C ATOM 491 O GLU A 31 -14.625 -5.851 -1.359 1.00 25.30 O ATOM 492 CB GLU A 31 -15.830 -2.784 -1.644 1.00 75.34 C ATOM 493 CG GLU A 31 -16.839 -1.861 -0.963 1.00 22.13 C ATOM 494 CD GLU A 31 -17.858 -2.619 -0.128 1.00 53.01 C ATOM 495 OE1 GLU A 31 -18.863 -3.099 -0.698 1.00 64.21 O ATOM 496 OE2 GLU A 31 -17.662 -2.747 1.097 1.00 21.22 O ATOM 0 H GLU A 31 -14.086 -1.663 -0.295 1.00 62.01 H new ATOM 0 HA GLU A 31 -15.525 -4.022 0.116 1.00 42.22 H new ATOM 0 HB2 GLU A 31 -15.203 -2.190 -2.309 1.00 75.34 H new ATOM 0 HB3 GLU A 31 -16.370 -3.497 -2.267 1.00 75.34 H new ATOM 0 HG2 GLU A 31 -16.307 -1.155 -0.326 1.00 22.13 H new ATOM 0 HG3 GLU A 31 -17.360 -1.276 -1.721 1.00 22.13 H new ATOM 503 N LEU A 32 -13.140 -4.358 -2.146 1.00 3.21 N ATOM 504 CA LEU A 32 -12.439 -5.348 -2.974 1.00 13.03 C ATOM 505 C LEU A 32 -11.497 -6.242 -2.143 1.00 52.32 C ATOM 506 O LEU A 32 -10.948 -7.219 -2.652 1.00 60.13 O ATOM 507 CB LEU A 32 -11.675 -4.642 -4.112 1.00 61.02 C ATOM 508 CG LEU A 32 -10.465 -3.777 -3.701 1.00 71.41 C ATOM 509 CD1 LEU A 32 -9.178 -4.600 -3.702 1.00 61.24 C ATOM 510 CD2 LEU A 32 -10.334 -2.563 -4.623 1.00 74.04 C ATOM 0 H LEU A 32 -12.740 -3.420 -2.177 1.00 3.21 H new ATOM 0 HA LEU A 32 -13.190 -6.007 -3.409 1.00 13.03 H new ATOM 0 HB2 LEU A 32 -11.328 -5.402 -4.812 1.00 61.02 H new ATOM 0 HB3 LEU A 32 -12.378 -4.009 -4.652 1.00 61.02 H new ATOM 0 HG LEU A 32 -10.633 -3.420 -2.685 1.00 71.41 H new ATOM 0 HD11 LEU A 32 -8.341 -3.967 -3.409 1.00 61.24 H new ATOM 0 HD12 LEU A 32 -9.273 -5.425 -2.996 1.00 61.24 H new ATOM 0 HD13 LEU A 32 -9.000 -4.996 -4.702 1.00 61.24 H new ATOM 0 HD21 LEU A 32 -9.475 -1.965 -4.318 1.00 74.04 H new ATOM 0 HD22 LEU A 32 -10.195 -2.900 -5.650 1.00 74.04 H new ATOM 0 HD23 LEU A 32 -11.239 -1.958 -4.559 1.00 74.04 H new ATOM 522 N LEU A 33 -11.319 -5.907 -0.864 1.00 25.41 N ATOM 523 CA LEU A 33 -10.474 -6.705 0.036 1.00 53.02 C ATOM 524 C LEU A 33 -11.298 -7.804 0.721 1.00 4.03 C ATOM 525 O LEU A 33 -12.146 -7.512 1.572 1.00 33.33 O ATOM 526 CB LEU A 33 -9.832 -5.800 1.096 1.00 52.42 C ATOM 527 CG LEU A 33 -8.987 -4.640 0.553 1.00 13.02 C ATOM 528 CD1 LEU A 33 -8.403 -3.818 1.695 1.00 22.04 C ATOM 529 CD2 LEU A 33 -7.882 -5.155 -0.363 1.00 61.22 C ATOM 0 H LEU A 33 -11.746 -5.091 -0.426 1.00 25.41 H new ATOM 0 HA LEU A 33 -9.690 -7.176 -0.557 1.00 53.02 H new ATOM 0 HB2 LEU A 33 -10.623 -5.388 1.723 1.00 52.42 H new ATOM 0 HB3 LEU A 33 -9.202 -6.414 1.740 1.00 52.42 H new ATOM 0 HG LEU A 33 -9.638 -3.993 -0.034 1.00 13.02 H new ATOM 0 HD11 LEU A 33 -7.808 -3.001 1.288 1.00 22.04 H new ATOM 0 HD12 LEU A 33 -9.212 -3.410 2.301 1.00 22.04 H new ATOM 0 HD13 LEU A 33 -7.771 -4.454 2.315 1.00 22.04 H new ATOM 0 HD21 LEU A 33 -7.297 -4.314 -0.735 1.00 61.22 H new ATOM 0 HD22 LEU A 33 -7.233 -5.831 0.194 1.00 61.22 H new ATOM 0 HD23 LEU A 33 -8.325 -5.689 -1.203 1.00 61.22 H new ATOM 541 N LYS A 34 -11.042 -9.063 0.368 1.00 31.14 N ATOM 542 CA LYS A 34 -11.879 -10.177 0.848 1.00 55.31 C ATOM 543 C LYS A 34 -11.062 -11.342 1.437 1.00 11.14 C ATOM 544 O LYS A 34 -11.571 -12.100 2.269 1.00 73.22 O ATOM 545 CB LYS A 34 -12.761 -10.680 -0.303 1.00 14.41 C ATOM 546 CG LYS A 34 -11.975 -11.203 -1.503 1.00 12.25 C ATOM 547 CD LYS A 34 -12.873 -11.456 -2.711 1.00 4.51 C ATOM 548 CE LYS A 34 -13.548 -10.175 -3.194 1.00 11.23 C ATOM 549 NZ LYS A 34 -14.296 -10.382 -4.461 1.00 41.51 N ATOM 0 H LYS A 34 -10.273 -9.342 -0.241 1.00 31.14 H new ATOM 0 HA LYS A 34 -12.494 -9.792 1.661 1.00 55.31 H new ATOM 0 HB2 LYS A 34 -13.408 -11.474 0.069 1.00 14.41 H new ATOM 0 HB3 LYS A 34 -13.410 -9.868 -0.632 1.00 14.41 H new ATOM 0 HG2 LYS A 34 -11.202 -10.483 -1.771 1.00 12.25 H new ATOM 0 HG3 LYS A 34 -11.468 -12.128 -1.229 1.00 12.25 H new ATOM 0 HD2 LYS A 34 -12.281 -11.883 -3.521 1.00 4.51 H new ATOM 0 HD3 LYS A 34 -13.634 -12.192 -2.451 1.00 4.51 H new ATOM 0 HE2 LYS A 34 -14.231 -9.813 -2.425 1.00 11.23 H new ATOM 0 HE3 LYS A 34 -12.794 -9.401 -3.341 1.00 11.23 H new ATOM 0 HZ1 LYS A 34 -14.739 -9.487 -4.753 1.00 41.51 H new ATOM 0 HZ2 LYS A 34 -13.641 -10.702 -5.202 1.00 41.51 H new ATOM 0 HZ3 LYS A 34 -15.033 -11.101 -4.316 1.00 41.51 H new ATOM 563 N LYS A 35 -9.809 -11.500 1.013 1.00 74.51 N ATOM 564 CA LYS A 35 -8.968 -12.601 1.510 1.00 64.15 C ATOM 565 C LYS A 35 -7.583 -12.105 1.956 1.00 51.03 C ATOM 566 O LYS A 35 -7.083 -11.088 1.469 1.00 61.45 O ATOM 567 CB LYS A 35 -8.841 -13.695 0.438 1.00 62.15 C ATOM 568 CG LYS A 35 -8.242 -13.217 -0.880 1.00 11.35 C ATOM 569 CD LYS A 35 -8.372 -14.268 -1.982 1.00 41.23 C ATOM 570 CE LYS A 35 -9.833 -14.600 -2.276 1.00 3.04 C ATOM 571 NZ LYS A 35 -9.974 -15.537 -3.422 1.00 22.21 N ATOM 0 H LYS A 35 -9.353 -10.890 0.334 1.00 74.51 H new ATOM 0 HA LYS A 35 -9.454 -13.024 2.389 1.00 64.15 H new ATOM 0 HB2 LYS A 35 -8.224 -14.503 0.832 1.00 62.15 H new ATOM 0 HB3 LYS A 35 -9.829 -14.113 0.244 1.00 62.15 H new ATOM 0 HG2 LYS A 35 -8.740 -12.300 -1.193 1.00 11.35 H new ATOM 0 HG3 LYS A 35 -7.190 -12.974 -0.733 1.00 11.35 H new ATOM 0 HD2 LYS A 35 -7.892 -13.904 -2.890 1.00 41.23 H new ATOM 0 HD3 LYS A 35 -7.846 -15.175 -1.684 1.00 41.23 H new ATOM 0 HE2 LYS A 35 -10.290 -15.041 -1.390 1.00 3.04 H new ATOM 0 HE3 LYS A 35 -10.377 -13.680 -2.491 1.00 3.04 H new ATOM 0 HZ1 LYS A 35 -10.982 -15.735 -3.587 1.00 22.21 H new ATOM 0 HZ2 LYS A 35 -9.562 -15.107 -4.275 1.00 22.21 H new ATOM 0 HZ3 LYS A 35 -9.477 -16.425 -3.207 1.00 22.21 H new ATOM 585 N GLN A 36 -6.974 -12.831 2.897 1.00 24.32 N ATOM 586 CA GLN A 36 -5.688 -12.435 3.485 1.00 51.13 C ATOM 587 C GLN A 36 -4.584 -12.312 2.421 1.00 2.31 C ATOM 588 O GLN A 36 -4.029 -13.313 1.955 1.00 70.32 O ATOM 589 CB GLN A 36 -5.272 -13.440 4.572 1.00 20.33 C ATOM 590 CG GLN A 36 -3.955 -13.100 5.268 1.00 35.41 C ATOM 591 CD GLN A 36 -3.620 -14.061 6.398 1.00 65.22 C ATOM 592 OE1 GLN A 36 -3.987 -15.230 6.369 1.00 12.11 O ATOM 593 NE2 GLN A 36 -2.917 -13.579 7.403 1.00 0.31 N ATOM 0 H GLN A 36 -7.352 -13.701 3.271 1.00 24.32 H new ATOM 0 HA GLN A 36 -5.819 -11.451 3.935 1.00 51.13 H new ATOM 0 HB2 GLN A 36 -6.062 -13.496 5.321 1.00 20.33 H new ATOM 0 HB3 GLN A 36 -5.188 -14.430 4.123 1.00 20.33 H new ATOM 0 HG2 GLN A 36 -3.148 -13.113 4.535 1.00 35.41 H new ATOM 0 HG3 GLN A 36 -4.010 -12.086 5.664 1.00 35.41 H new ATOM 0 HE21 GLN A 36 -2.626 -12.601 7.399 1.00 0.31 H new ATOM 0 HE22 GLN A 36 -2.664 -14.183 8.185 1.00 0.31 H new ATOM 602 N GLY A 37 -4.279 -11.077 2.040 1.00 64.33 N ATOM 603 CA GLY A 37 -3.260 -10.828 1.030 1.00 31.42 C ATOM 604 C GLY A 37 -3.622 -9.689 0.088 1.00 11.44 C ATOM 605 O GLY A 37 -2.750 -8.942 -0.347 1.00 52.02 O ATOM 0 H GLY A 37 -4.721 -10.237 2.414 1.00 64.33 H new ATOM 0 HA2 GLY A 37 -2.316 -10.598 1.524 1.00 31.42 H new ATOM 0 HA3 GLY A 37 -3.103 -11.737 0.449 1.00 31.42 H new ATOM 609 N ASP A 38 -4.913 -9.558 -0.226 1.00 21.24 N ATOM 610 CA ASP A 38 -5.396 -8.489 -1.112 1.00 33.34 C ATOM 611 C ASP A 38 -4.894 -7.106 -0.658 1.00 35.34 C ATOM 612 O ASP A 38 -5.118 -6.709 0.483 1.00 75.02 O ATOM 613 CB ASP A 38 -6.934 -8.473 -1.146 1.00 13.32 C ATOM 614 CG ASP A 38 -7.548 -9.781 -1.611 1.00 71.13 C ATOM 615 OD1 ASP A 38 -6.842 -10.590 -2.251 1.00 43.43 O ATOM 616 OD2 ASP A 38 -8.752 -9.998 -1.345 1.00 50.03 O ATOM 0 H ASP A 38 -5.646 -10.178 0.119 1.00 21.24 H new ATOM 0 HA ASP A 38 -5.003 -8.695 -2.108 1.00 33.34 H new ATOM 0 HB2 ASP A 38 -7.308 -8.240 -0.149 1.00 13.32 H new ATOM 0 HB3 ASP A 38 -7.266 -7.671 -1.806 1.00 13.32 H new ATOM 621 N PHE A 39 -4.218 -6.378 -1.548 1.00 52.30 N ATOM 622 CA PHE A 39 -3.767 -5.016 -1.231 1.00 44.44 C ATOM 623 C PHE A 39 -3.805 -4.095 -2.460 1.00 11.44 C ATOM 624 O PHE A 39 -3.692 -4.548 -3.603 1.00 23.11 O ATOM 625 CB PHE A 39 -2.353 -5.025 -0.617 1.00 13.25 C ATOM 626 CG PHE A 39 -1.242 -5.419 -1.564 1.00 31.54 C ATOM 627 CD1 PHE A 39 -0.894 -6.750 -1.736 1.00 43.25 C ATOM 628 CD2 PHE A 39 -0.532 -4.451 -2.265 1.00 2.33 C ATOM 629 CE1 PHE A 39 0.135 -7.108 -2.588 1.00 31.14 C ATOM 630 CE2 PHE A 39 0.494 -4.803 -3.119 1.00 44.34 C ATOM 631 CZ PHE A 39 0.829 -6.134 -3.280 1.00 65.02 C ATOM 0 H PHE A 39 -3.971 -6.701 -2.484 1.00 52.30 H new ATOM 0 HA PHE A 39 -4.465 -4.618 -0.495 1.00 44.44 H new ATOM 0 HB2 PHE A 39 -2.139 -4.031 -0.224 1.00 13.25 H new ATOM 0 HB3 PHE A 39 -2.347 -5.711 0.230 1.00 13.25 H new ATOM 0 HD1 PHE A 39 -1.433 -7.516 -1.198 1.00 43.25 H new ATOM 0 HD2 PHE A 39 -0.787 -3.409 -2.140 1.00 2.33 H new ATOM 0 HE1 PHE A 39 0.396 -8.149 -2.712 1.00 31.14 H new ATOM 0 HE2 PHE A 39 1.034 -4.040 -3.660 1.00 44.34 H new ATOM 0 HZ PHE A 39 1.632 -6.413 -3.946 1.00 65.02 H new ATOM 641 N LEU A 40 -3.970 -2.797 -2.204 1.00 23.30 N ATOM 642 CA LEU A 40 -3.967 -1.780 -3.260 1.00 34.12 C ATOM 643 C LEU A 40 -3.524 -0.412 -2.720 1.00 42.21 C ATOM 644 O LEU A 40 -3.645 -0.132 -1.528 1.00 43.13 O ATOM 645 CB LEU A 40 -5.364 -1.628 -3.888 1.00 14.23 C ATOM 646 CG LEU A 40 -6.431 -0.958 -2.991 1.00 71.32 C ATOM 647 CD1 LEU A 40 -7.579 -0.407 -3.828 1.00 33.12 C ATOM 648 CD2 LEU A 40 -6.960 -1.936 -1.945 1.00 13.21 C ATOM 0 H LEU A 40 -4.109 -2.421 -1.266 1.00 23.30 H new ATOM 0 HA LEU A 40 -3.259 -2.117 -4.017 1.00 34.12 H new ATOM 0 HB2 LEU A 40 -5.269 -1.046 -4.805 1.00 14.23 H new ATOM 0 HB3 LEU A 40 -5.724 -2.617 -4.173 1.00 14.23 H new ATOM 0 HG LEU A 40 -5.953 -0.127 -2.473 1.00 71.32 H new ATOM 0 HD11 LEU A 40 -8.316 0.059 -3.173 1.00 33.12 H new ATOM 0 HD12 LEU A 40 -7.195 0.335 -4.528 1.00 33.12 H new ATOM 0 HD13 LEU A 40 -8.048 -1.220 -4.382 1.00 33.12 H new ATOM 0 HD21 LEU A 40 -7.709 -1.439 -1.328 1.00 13.21 H new ATOM 0 HD22 LEU A 40 -7.412 -2.793 -2.444 1.00 13.21 H new ATOM 0 HD23 LEU A 40 -6.138 -2.275 -1.315 1.00 13.21 H new ATOM 660 N VAL A 41 -3.025 0.439 -3.607 1.00 70.20 N ATOM 661 CA VAL A 41 -2.735 1.835 -3.273 1.00 70.44 C ATOM 662 C VAL A 41 -3.727 2.769 -3.980 1.00 31.21 C ATOM 663 O VAL A 41 -3.988 2.625 -5.178 1.00 24.11 O ATOM 664 CB VAL A 41 -1.284 2.232 -3.650 1.00 1.52 C ATOM 665 CG1 VAL A 41 -1.031 3.720 -3.393 1.00 53.31 C ATOM 666 CG2 VAL A 41 -0.283 1.373 -2.877 1.00 10.13 C ATOM 0 H VAL A 41 -2.810 0.188 -4.572 1.00 70.20 H new ATOM 0 HA VAL A 41 -2.841 1.938 -2.193 1.00 70.44 H new ATOM 0 HB VAL A 41 -1.149 2.053 -4.717 1.00 1.52 H new ATOM 0 HG11 VAL A 41 -0.005 3.967 -3.667 1.00 53.31 H new ATOM 0 HG12 VAL A 41 -1.720 4.315 -3.992 1.00 53.31 H new ATOM 0 HG13 VAL A 41 -1.187 3.938 -2.337 1.00 53.31 H new ATOM 0 HG21 VAL A 41 0.732 1.662 -3.151 1.00 10.13 H new ATOM 0 HG22 VAL A 41 -0.426 1.522 -1.807 1.00 10.13 H new ATOM 0 HG23 VAL A 41 -0.440 0.322 -3.122 1.00 10.13 H new ATOM 676 N ARG A 42 -4.285 3.713 -3.232 1.00 52.24 N ATOM 677 CA ARG A 42 -5.271 4.656 -3.775 1.00 61.43 C ATOM 678 C ARG A 42 -4.840 6.108 -3.523 1.00 40.42 C ATOM 679 O ARG A 42 -3.924 6.367 -2.745 1.00 3.24 O ATOM 680 CB ARG A 42 -6.640 4.422 -3.121 1.00 42.41 C ATOM 681 CG ARG A 42 -6.669 4.791 -1.640 1.00 52.23 C ATOM 682 CD ARG A 42 -8.077 4.749 -1.057 1.00 34.43 C ATOM 683 NE ARG A 42 -8.123 5.379 0.265 1.00 64.53 N ATOM 684 CZ ARG A 42 -8.946 6.342 0.595 1.00 51.41 C ATOM 685 NH1 ARG A 42 -9.814 6.790 -0.254 1.00 35.35 N ATOM 686 NH2 ARG A 42 -8.887 6.866 1.777 1.00 33.32 N ATOM 0 H ARG A 42 -4.074 3.851 -2.244 1.00 52.24 H new ATOM 0 HA ARG A 42 -5.339 4.487 -4.850 1.00 61.43 H new ATOM 0 HB2 ARG A 42 -7.393 5.007 -3.649 1.00 42.41 H new ATOM 0 HB3 ARG A 42 -6.915 3.373 -3.233 1.00 42.41 H new ATOM 0 HG2 ARG A 42 -6.029 4.105 -1.085 1.00 52.23 H new ATOM 0 HG3 ARG A 42 -6.254 5.791 -1.509 1.00 52.23 H new ATOM 0 HD2 ARG A 42 -8.767 5.258 -1.730 1.00 34.43 H new ATOM 0 HD3 ARG A 42 -8.411 3.714 -0.981 1.00 34.43 H new ATOM 0 HE ARG A 42 -7.471 5.045 0.975 1.00 64.53 H new ATOM 0 HH11 ARG A 42 -9.862 6.392 -1.192 1.00 35.35 H new ATOM 0 HH12 ARG A 42 -10.450 7.541 0.015 1.00 35.35 H new ATOM 0 HH21 ARG A 42 -8.200 6.529 2.451 1.00 33.32 H new ATOM 0 HH22 ARG A 42 -9.528 7.616 2.035 1.00 33.32 H new ATOM 700 N GLU A 43 -5.519 7.052 -4.168 1.00 12.01 N ATOM 701 CA GLU A 43 -5.289 8.478 -3.915 1.00 12.44 C ATOM 702 C GLU A 43 -6.535 9.117 -3.275 1.00 61.35 C ATOM 703 O GLU A 43 -7.651 8.972 -3.783 1.00 22.32 O ATOM 704 CB GLU A 43 -4.939 9.202 -5.223 1.00 23.23 C ATOM 705 CG GLU A 43 -4.444 10.631 -5.022 1.00 3.51 C ATOM 706 CD GLU A 43 -4.284 11.389 -6.333 1.00 64.41 C ATOM 707 OE1 GLU A 43 -3.501 10.941 -7.200 1.00 70.12 O ATOM 708 OE2 GLU A 43 -4.941 12.437 -6.503 1.00 33.05 O ATOM 0 H GLU A 43 -6.233 6.859 -4.870 1.00 12.01 H new ATOM 0 HA GLU A 43 -4.451 8.575 -3.224 1.00 12.44 H new ATOM 0 HB2 GLU A 43 -4.173 8.632 -5.749 1.00 23.23 H new ATOM 0 HB3 GLU A 43 -5.820 9.219 -5.865 1.00 23.23 H new ATOM 0 HG2 GLU A 43 -5.144 11.167 -4.381 1.00 3.51 H new ATOM 0 HG3 GLU A 43 -3.487 10.609 -4.501 1.00 3.51 H new ATOM 715 N SER A 44 -6.344 9.816 -2.155 1.00 11.13 N ATOM 716 CA SER A 44 -7.458 10.464 -1.435 1.00 50.22 C ATOM 717 C SER A 44 -8.024 11.666 -2.211 1.00 42.11 C ATOM 718 O SER A 44 -7.288 12.376 -2.895 1.00 71.15 O ATOM 719 CB SER A 44 -6.997 10.916 -0.042 1.00 42.32 C ATOM 720 OG SER A 44 -6.630 9.806 0.763 1.00 44.11 O ATOM 0 H SER A 44 -5.431 9.952 -1.721 1.00 11.13 H new ATOM 0 HA SER A 44 -8.254 9.726 -1.337 1.00 50.22 H new ATOM 0 HB2 SER A 44 -6.149 11.594 -0.139 1.00 42.32 H new ATOM 0 HB3 SER A 44 -7.797 11.473 0.445 1.00 42.32 H new ATOM 0 HG SER A 44 -5.712 9.537 0.551 1.00 44.11 H new ATOM 726 N HIS A 45 -9.337 11.895 -2.088 1.00 4.20 N ATOM 727 CA HIS A 45 -10.007 13.007 -2.785 1.00 63.12 C ATOM 728 C HIS A 45 -9.988 14.294 -1.942 1.00 12.24 C ATOM 729 O HIS A 45 -9.492 15.334 -2.381 1.00 74.31 O ATOM 730 CB HIS A 45 -11.462 12.642 -3.111 1.00 14.44 C ATOM 731 CG HIS A 45 -11.617 11.478 -4.043 1.00 1.11 C ATOM 732 ND1 HIS A 45 -12.530 10.468 -3.831 1.00 41.44 N ATOM 733 CD2 HIS A 45 -11.001 11.182 -5.211 1.00 13.53 C ATOM 734 CE1 HIS A 45 -12.467 9.604 -4.821 1.00 62.03 C ATOM 735 NE2 HIS A 45 -11.550 10.012 -5.671 1.00 62.40 N ATOM 0 H HIS A 45 -9.959 11.327 -1.513 1.00 4.20 H new ATOM 0 HA HIS A 45 -9.457 13.185 -3.709 1.00 63.12 H new ATOM 0 HB2 HIS A 45 -11.984 12.419 -2.181 1.00 14.44 H new ATOM 0 HB3 HIS A 45 -11.952 13.511 -3.551 1.00 14.44 H new ATOM 0 HD2 HIS A 45 -10.224 11.758 -5.691 1.00 13.53 H new ATOM 0 HE1 HIS A 45 -13.067 8.711 -4.919 1.00 62.03 H new ATOM 0 HE2 HIS A 45 -11.289 9.535 -6.534 1.00 62.40 H new ATOM 744 N GLY A 46 -10.551 14.220 -0.734 1.00 11.12 N ATOM 745 CA GLY A 46 -10.584 15.375 0.160 1.00 71.41 C ATOM 746 C GLY A 46 -9.199 15.796 0.636 1.00 53.33 C ATOM 747 O GLY A 46 -8.977 16.955 0.993 1.00 53.42 O ATOM 0 H GLY A 46 -10.987 13.379 -0.356 1.00 11.12 H new ATOM 0 HA2 GLY A 46 -11.056 16.212 -0.354 1.00 71.41 H new ATOM 0 HA3 GLY A 46 -11.204 15.141 1.025 1.00 71.41 H new ATOM 751 N LYS A 47 -8.273 14.843 0.642 1.00 61.03 N ATOM 752 CA LYS A 47 -6.874 15.090 1.008 1.00 44.35 C ATOM 753 C LYS A 47 -5.959 14.862 -0.216 1.00 64.30 C ATOM 754 O LYS A 47 -5.427 13.766 -0.422 1.00 53.54 O ATOM 755 CB LYS A 47 -6.496 14.171 2.182 1.00 35.22 C ATOM 756 CG LYS A 47 -5.051 14.270 2.657 1.00 75.54 C ATOM 757 CD LYS A 47 -4.669 15.665 3.147 1.00 64.14 C ATOM 758 CE LYS A 47 -3.394 15.627 3.991 1.00 44.20 C ATOM 759 NZ LYS A 47 -2.297 14.856 3.336 1.00 32.31 N ATOM 0 H LYS A 47 -8.467 13.873 0.393 1.00 61.03 H new ATOM 0 HA LYS A 47 -6.743 16.125 1.323 1.00 44.35 H new ATOM 0 HB2 LYS A 47 -7.152 14.397 3.023 1.00 35.22 H new ATOM 0 HB3 LYS A 47 -6.694 13.139 1.891 1.00 35.22 H new ATOM 0 HG2 LYS A 47 -4.891 13.553 3.463 1.00 75.54 H new ATOM 0 HG3 LYS A 47 -4.387 13.985 1.841 1.00 75.54 H new ATOM 0 HD2 LYS A 47 -4.523 16.326 2.292 1.00 64.14 H new ATOM 0 HD3 LYS A 47 -5.486 16.082 3.736 1.00 64.14 H new ATOM 0 HE2 LYS A 47 -3.056 16.646 4.178 1.00 44.20 H new ATOM 0 HE3 LYS A 47 -3.617 15.182 4.961 1.00 44.20 H new ATOM 0 HZ1 LYS A 47 -1.379 15.178 3.704 1.00 32.31 H new ATOM 0 HZ2 LYS A 47 -2.416 13.843 3.539 1.00 32.31 H new ATOM 0 HZ3 LYS A 47 -2.331 15.009 2.308 1.00 32.31 H new ATOM 773 N PRO A 48 -5.783 15.902 -1.056 1.00 30.11 N ATOM 774 CA PRO A 48 -5.094 15.777 -2.356 1.00 12.23 C ATOM 775 C PRO A 48 -3.609 15.395 -2.233 1.00 62.34 C ATOM 776 O PRO A 48 -2.860 15.971 -1.438 1.00 25.52 O ATOM 777 CB PRO A 48 -5.253 17.174 -2.981 1.00 23.05 C ATOM 778 CG PRO A 48 -5.470 18.088 -1.824 1.00 12.31 C ATOM 779 CD PRO A 48 -6.234 17.286 -0.807 1.00 53.02 C ATOM 0 HA PRO A 48 -5.521 14.973 -2.955 1.00 12.23 H new ATOM 0 HB2 PRO A 48 -4.366 17.457 -3.547 1.00 23.05 H new ATOM 0 HB3 PRO A 48 -6.095 17.204 -3.672 1.00 23.05 H new ATOM 0 HG2 PRO A 48 -4.521 18.435 -1.416 1.00 12.31 H new ATOM 0 HG3 PRO A 48 -6.030 18.974 -2.125 1.00 12.31 H new ATOM 0 HD2 PRO A 48 -6.007 17.606 0.210 1.00 53.02 H new ATOM 0 HD3 PRO A 48 -7.311 17.388 -0.941 1.00 53.02 H new ATOM 787 N GLY A 49 -3.186 14.421 -3.036 1.00 3.11 N ATOM 788 CA GLY A 49 -1.796 13.984 -3.025 1.00 3.21 C ATOM 789 C GLY A 49 -1.492 12.924 -1.970 1.00 23.30 C ATOM 790 O GLY A 49 -0.384 12.386 -1.934 1.00 13.33 O ATOM 0 H GLY A 49 -3.783 13.924 -3.697 1.00 3.11 H new ATOM 0 HA2 GLY A 49 -1.542 13.588 -4.008 1.00 3.21 H new ATOM 0 HA3 GLY A 49 -1.154 14.848 -2.854 1.00 3.21 H new ATOM 794 N GLU A 50 -2.460 12.616 -1.106 1.00 40.12 N ATOM 795 CA GLU A 50 -2.254 11.599 -0.070 1.00 41.52 C ATOM 796 C GLU A 50 -2.599 10.195 -0.583 1.00 34.15 C ATOM 797 O GLU A 50 -3.773 9.846 -0.746 1.00 71.25 O ATOM 798 CB GLU A 50 -3.088 11.915 1.177 1.00 4.45 C ATOM 799 CG GLU A 50 -2.865 10.938 2.326 1.00 41.13 C ATOM 800 CD GLU A 50 -3.672 11.288 3.565 1.00 42.33 C ATOM 801 OE1 GLU A 50 -3.239 12.185 4.329 1.00 43.52 O ATOM 802 OE2 GLU A 50 -4.747 10.683 3.776 1.00 21.11 O ATOM 0 H GLU A 50 -3.384 13.049 -1.100 1.00 40.12 H new ATOM 0 HA GLU A 50 -1.197 11.617 0.195 1.00 41.52 H new ATOM 0 HB2 GLU A 50 -2.850 12.923 1.517 1.00 4.45 H new ATOM 0 HB3 GLU A 50 -4.144 11.911 0.908 1.00 4.45 H new ATOM 0 HG2 GLU A 50 -3.130 9.933 1.998 1.00 41.13 H new ATOM 0 HG3 GLU A 50 -1.805 10.921 2.581 1.00 41.13 H new ATOM 809 N TYR A 51 -1.568 9.399 -0.849 1.00 34.51 N ATOM 810 CA TYR A 51 -1.748 8.011 -1.279 1.00 51.11 C ATOM 811 C TYR A 51 -1.858 7.073 -0.069 1.00 21.15 C ATOM 812 O TYR A 51 -1.043 7.122 0.855 1.00 70.31 O ATOM 813 CB TYR A 51 -0.592 7.586 -2.192 1.00 25.24 C ATOM 814 CG TYR A 51 -0.580 8.327 -3.518 1.00 32.44 C ATOM 815 CD1 TYR A 51 -0.028 9.601 -3.625 1.00 55.22 C ATOM 816 CD2 TYR A 51 -1.139 7.760 -4.658 1.00 0.15 C ATOM 817 CE1 TYR A 51 -0.033 10.285 -4.828 1.00 15.12 C ATOM 818 CE2 TYR A 51 -1.151 8.440 -5.861 1.00 40.33 C ATOM 819 CZ TYR A 51 -0.597 9.700 -5.941 1.00 72.54 C ATOM 820 OH TYR A 51 -0.615 10.381 -7.138 1.00 30.43 O ATOM 0 H TYR A 51 -0.593 9.691 -0.775 1.00 34.51 H new ATOM 0 HA TYR A 51 -2.679 7.942 -1.841 1.00 51.11 H new ATOM 0 HB2 TYR A 51 0.353 7.759 -1.677 1.00 25.24 H new ATOM 0 HB3 TYR A 51 -0.661 6.515 -2.381 1.00 25.24 H new ATOM 0 HD1 TYR A 51 0.412 10.063 -2.754 1.00 55.22 H new ATOM 0 HD2 TYR A 51 -1.571 6.772 -4.602 1.00 0.15 H new ATOM 0 HE1 TYR A 51 0.402 11.271 -4.894 1.00 15.12 H new ATOM 0 HE2 TYR A 51 -1.593 7.986 -6.736 1.00 40.33 H new ATOM 0 HH TYR A 51 -1.529 10.676 -7.333 1.00 30.43 H new ATOM 830 N VAL A 52 -2.876 6.221 -0.082 1.00 42.33 N ATOM 831 CA VAL A 52 -3.151 5.326 1.046 1.00 44.21 C ATOM 832 C VAL A 52 -3.102 3.849 0.629 1.00 64.03 C ATOM 833 O VAL A 52 -3.751 3.438 -0.336 1.00 64.12 O ATOM 834 CB VAL A 52 -4.537 5.634 1.675 1.00 24.43 C ATOM 835 CG1 VAL A 52 -4.803 4.744 2.891 1.00 34.30 C ATOM 836 CG2 VAL A 52 -4.642 7.114 2.050 1.00 31.03 C ATOM 0 H VAL A 52 -3.528 6.128 -0.861 1.00 42.33 H new ATOM 0 HA VAL A 52 -2.369 5.504 1.785 1.00 44.21 H new ATOM 0 HB VAL A 52 -5.301 5.414 0.929 1.00 24.43 H new ATOM 0 HG11 VAL A 52 -5.781 4.983 3.310 1.00 34.30 H new ATOM 0 HG12 VAL A 52 -4.784 3.697 2.587 1.00 34.30 H new ATOM 0 HG13 VAL A 52 -4.034 4.917 3.644 1.00 34.30 H new ATOM 0 HG21 VAL A 52 -5.620 7.310 2.489 1.00 31.03 H new ATOM 0 HG22 VAL A 52 -3.864 7.363 2.772 1.00 31.03 H new ATOM 0 HG23 VAL A 52 -4.517 7.726 1.156 1.00 31.03 H new ATOM 846 N LEU A 53 -2.330 3.060 1.371 1.00 54.45 N ATOM 847 CA LEU A 53 -2.240 1.615 1.152 1.00 11.13 C ATOM 848 C LEU A 53 -3.345 0.882 1.934 1.00 10.12 C ATOM 849 O LEU A 53 -3.503 1.075 3.140 1.00 62.15 O ATOM 850 CB LEU A 53 -0.859 1.107 1.600 1.00 51.33 C ATOM 851 CG LEU A 53 -0.618 -0.408 1.445 1.00 13.32 C ATOM 852 CD1 LEU A 53 -0.589 -0.813 -0.026 1.00 50.54 C ATOM 853 CD2 LEU A 53 0.677 -0.822 2.145 1.00 3.41 C ATOM 0 H LEU A 53 -1.751 3.400 2.138 1.00 54.45 H new ATOM 0 HA LEU A 53 -2.373 1.413 0.089 1.00 11.13 H new ATOM 0 HB2 LEU A 53 -0.096 1.637 1.031 1.00 51.33 H new ATOM 0 HB3 LEU A 53 -0.717 1.373 2.648 1.00 51.33 H new ATOM 0 HG LEU A 53 -1.448 -0.931 1.920 1.00 13.32 H new ATOM 0 HD11 LEU A 53 -0.417 -1.887 -0.104 1.00 50.54 H new ATOM 0 HD12 LEU A 53 -1.543 -0.563 -0.491 1.00 50.54 H new ATOM 0 HD13 LEU A 53 0.214 -0.279 -0.535 1.00 50.54 H new ATOM 0 HD21 LEU A 53 0.829 -1.895 2.024 1.00 3.41 H new ATOM 0 HD22 LEU A 53 1.517 -0.284 1.704 1.00 3.41 H new ATOM 0 HD23 LEU A 53 0.610 -0.582 3.206 1.00 3.41 H new ATOM 865 N SER A 54 -4.117 0.055 1.240 1.00 15.44 N ATOM 866 CA SER A 54 -5.214 -0.701 1.863 1.00 63.12 C ATOM 867 C SER A 54 -5.019 -2.206 1.634 1.00 31.41 C ATOM 868 O SER A 54 -4.987 -2.666 0.494 1.00 34.34 O ATOM 869 CB SER A 54 -6.563 -0.241 1.287 1.00 63.21 C ATOM 870 OG SER A 54 -7.656 -0.796 2.001 1.00 41.03 O ATOM 0 H SER A 54 -4.008 -0.115 0.240 1.00 15.44 H new ATOM 0 HA SER A 54 -5.209 -0.511 2.936 1.00 63.12 H new ATOM 0 HB2 SER A 54 -6.621 0.847 1.321 1.00 63.21 H new ATOM 0 HB3 SER A 54 -6.629 -0.531 0.238 1.00 63.21 H new ATOM 0 HG SER A 54 -8.497 -0.481 1.609 1.00 41.03 H new ATOM 876 N VAL A 55 -4.882 -2.967 2.719 1.00 43.21 N ATOM 877 CA VAL A 55 -4.574 -4.402 2.629 1.00 70.44 C ATOM 878 C VAL A 55 -5.433 -5.238 3.594 1.00 24.33 C ATOM 879 O VAL A 55 -5.761 -4.797 4.696 1.00 63.52 O ATOM 880 CB VAL A 55 -3.069 -4.652 2.921 1.00 4.25 C ATOM 881 CG1 VAL A 55 -2.679 -4.067 4.276 1.00 32.34 C ATOM 882 CG2 VAL A 55 -2.734 -6.144 2.857 1.00 43.45 C ATOM 0 H VAL A 55 -4.979 -2.618 3.673 1.00 43.21 H new ATOM 0 HA VAL A 55 -4.808 -4.717 1.612 1.00 70.44 H new ATOM 0 HB VAL A 55 -2.489 -4.147 2.149 1.00 4.25 H new ATOM 0 HG11 VAL A 55 -1.621 -4.253 4.462 1.00 32.34 H new ATOM 0 HG12 VAL A 55 -2.864 -2.993 4.275 1.00 32.34 H new ATOM 0 HG13 VAL A 55 -3.273 -4.537 5.060 1.00 32.34 H new ATOM 0 HG21 VAL A 55 -1.674 -6.288 3.066 1.00 43.45 H new ATOM 0 HG22 VAL A 55 -3.326 -6.682 3.598 1.00 43.45 H new ATOM 0 HG23 VAL A 55 -2.963 -6.526 1.862 1.00 43.45 H new ATOM 892 N TYR A 56 -5.800 -6.446 3.171 1.00 71.25 N ATOM 893 CA TYR A 56 -6.590 -7.355 4.005 1.00 32.24 C ATOM 894 C TYR A 56 -5.662 -8.283 4.813 1.00 64.52 C ATOM 895 O TYR A 56 -5.114 -9.252 4.282 1.00 41.12 O ATOM 896 CB TYR A 56 -7.543 -8.178 3.123 1.00 32.04 C ATOM 897 CG TYR A 56 -8.699 -8.814 3.880 1.00 1.42 C ATOM 898 CD1 TYR A 56 -8.578 -10.067 4.473 1.00 64.42 C ATOM 899 CD2 TYR A 56 -9.921 -8.158 3.986 1.00 54.31 C ATOM 900 CE1 TYR A 56 -9.637 -10.642 5.151 1.00 52.20 C ATOM 901 CE2 TYR A 56 -10.981 -8.726 4.660 1.00 50.20 C ATOM 902 CZ TYR A 56 -10.837 -9.967 5.240 1.00 41.31 C ATOM 903 OH TYR A 56 -11.902 -10.532 5.908 1.00 0.41 O ATOM 0 H TYR A 56 -5.563 -6.821 2.252 1.00 71.25 H new ATOM 0 HA TYR A 56 -7.182 -6.768 4.707 1.00 32.24 H new ATOM 0 HB2 TYR A 56 -7.946 -7.533 2.342 1.00 32.04 H new ATOM 0 HB3 TYR A 56 -6.973 -8.963 2.626 1.00 32.04 H new ATOM 0 HD1 TYR A 56 -7.641 -10.599 4.402 1.00 64.42 H new ATOM 0 HD2 TYR A 56 -10.042 -7.186 3.532 1.00 54.31 H new ATOM 0 HE1 TYR A 56 -9.525 -11.614 5.608 1.00 52.20 H new ATOM 0 HE2 TYR A 56 -11.921 -8.200 4.733 1.00 50.20 H new ATOM 0 HH TYR A 56 -11.853 -10.298 6.858 1.00 0.41 H new ATOM 913 N SER A 57 -5.492 -7.979 6.097 1.00 23.24 N ATOM 914 CA SER A 57 -4.570 -8.730 6.966 1.00 61.10 C ATOM 915 C SER A 57 -5.228 -9.105 8.296 1.00 73.34 C ATOM 916 O SER A 57 -5.980 -8.318 8.872 1.00 21.32 O ATOM 917 CB SER A 57 -3.309 -7.900 7.238 1.00 72.34 C ATOM 918 OG SER A 57 -2.476 -8.521 8.207 1.00 61.32 O ATOM 0 H SER A 57 -5.980 -7.216 6.567 1.00 23.24 H new ATOM 0 HA SER A 57 -4.303 -9.650 6.445 1.00 61.10 H new ATOM 0 HB2 SER A 57 -2.753 -7.767 6.310 1.00 72.34 H new ATOM 0 HB3 SER A 57 -3.594 -6.907 7.584 1.00 72.34 H new ATOM 0 HG SER A 57 -1.557 -8.565 7.869 1.00 61.32 H new ATOM 924 N ASP A 58 -4.954 -10.327 8.763 1.00 53.43 N ATOM 925 CA ASP A 58 -5.473 -10.825 10.045 1.00 11.01 C ATOM 926 C ASP A 58 -7.019 -10.860 10.059 1.00 14.30 C ATOM 927 O ASP A 58 -7.647 -10.982 11.110 1.00 14.15 O ATOM 928 CB ASP A 58 -4.929 -9.963 11.198 1.00 21.25 C ATOM 929 CG ASP A 58 -5.025 -10.648 12.551 1.00 63.21 C ATOM 930 OD1 ASP A 58 -4.469 -11.757 12.694 1.00 21.13 O ATOM 931 OD2 ASP A 58 -5.626 -10.071 13.485 1.00 11.33 O ATOM 0 H ASP A 58 -4.368 -10.998 8.266 1.00 53.43 H new ATOM 0 HA ASP A 58 -5.130 -11.851 10.178 1.00 11.01 H new ATOM 0 HB2 ASP A 58 -3.887 -9.713 10.997 1.00 21.25 H new ATOM 0 HB3 ASP A 58 -5.481 -9.024 11.233 1.00 21.25 H new ATOM 936 N GLY A 59 -7.625 -10.775 8.876 1.00 5.14 N ATOM 937 CA GLY A 59 -9.081 -10.783 8.767 1.00 55.43 C ATOM 938 C GLY A 59 -9.697 -9.385 8.722 1.00 11.11 C ATOM 939 O GLY A 59 -10.905 -9.242 8.538 1.00 31.43 O ATOM 0 H GLY A 59 -7.133 -10.700 7.985 1.00 5.14 H new ATOM 0 HA2 GLY A 59 -9.367 -11.326 7.866 1.00 55.43 H new ATOM 0 HA3 GLY A 59 -9.498 -11.328 9.614 1.00 55.43 H new ATOM 943 N GLN A 60 -8.871 -8.351 8.883 1.00 72.45 N ATOM 944 CA GLN A 60 -9.345 -6.959 8.873 1.00 11.31 C ATOM 945 C GLN A 60 -8.697 -6.144 7.738 1.00 3.43 C ATOM 946 O GLN A 60 -7.653 -6.521 7.203 1.00 20.21 O ATOM 947 CB GLN A 60 -9.042 -6.293 10.226 1.00 54.24 C ATOM 948 CG GLN A 60 -9.732 -6.962 11.414 1.00 14.44 C ATOM 949 CD GLN A 60 -9.485 -6.239 12.732 1.00 54.50 C ATOM 950 OE1 GLN A 60 -8.446 -5.622 12.939 1.00 55.23 O ATOM 951 NE2 GLN A 60 -10.440 -6.312 13.638 1.00 2.24 N ATOM 0 H GLN A 60 -7.865 -8.448 9.023 1.00 72.45 H new ATOM 0 HA GLN A 60 -10.421 -6.977 8.702 1.00 11.31 H new ATOM 0 HB2 GLN A 60 -7.965 -6.303 10.391 1.00 54.24 H new ATOM 0 HB3 GLN A 60 -9.348 -5.248 10.182 1.00 54.24 H new ATOM 0 HG2 GLN A 60 -10.805 -7.006 11.226 1.00 14.44 H new ATOM 0 HG3 GLN A 60 -9.381 -7.990 11.499 1.00 14.44 H new ATOM 0 HE21 GLN A 60 -11.294 -6.833 13.438 1.00 2.24 H new ATOM 0 HE22 GLN A 60 -10.325 -5.848 14.539 1.00 2.24 H new ATOM 960 N ARG A 61 -9.327 -5.028 7.363 1.00 23.34 N ATOM 961 CA ARG A 61 -8.753 -4.113 6.369 1.00 13.35 C ATOM 962 C ARG A 61 -7.777 -3.126 7.033 1.00 24.41 C ATOM 963 O ARG A 61 -8.194 -2.169 7.686 1.00 55.33 O ATOM 964 CB ARG A 61 -9.856 -3.328 5.626 1.00 33.00 C ATOM 965 CG ARG A 61 -10.627 -4.131 4.575 1.00 45.22 C ATOM 966 CD ARG A 61 -11.667 -5.064 5.184 1.00 52.11 C ATOM 967 NE ARG A 61 -12.383 -5.820 4.156 1.00 11.32 N ATOM 968 CZ ARG A 61 -13.582 -6.319 4.298 1.00 64.40 C ATOM 969 NH1 ARG A 61 -14.278 -6.091 5.365 1.00 22.13 N ATOM 970 NH2 ARG A 61 -14.095 -7.031 3.352 1.00 50.14 N ATOM 0 H ARG A 61 -10.232 -4.735 7.731 1.00 23.34 H new ATOM 0 HA ARG A 61 -8.210 -4.720 5.645 1.00 13.35 H new ATOM 0 HB2 ARG A 61 -10.565 -2.944 6.360 1.00 33.00 H new ATOM 0 HB3 ARG A 61 -9.402 -2.465 5.140 1.00 33.00 H new ATOM 0 HG2 ARG A 61 -11.121 -3.442 3.890 1.00 45.22 H new ATOM 0 HG3 ARG A 61 -9.923 -4.717 3.985 1.00 45.22 H new ATOM 0 HD2 ARG A 61 -11.178 -5.756 5.870 1.00 52.11 H new ATOM 0 HD3 ARG A 61 -12.379 -4.483 5.770 1.00 52.11 H new ATOM 0 HE ARG A 61 -11.912 -5.968 3.264 1.00 11.32 H new ATOM 0 HH11 ARG A 61 -13.892 -5.514 6.112 1.00 22.13 H new ATOM 0 HH12 ARG A 61 -15.213 -6.489 5.459 1.00 22.13 H new ATOM 0 HH21 ARG A 61 -13.565 -7.202 2.498 1.00 50.14 H new ATOM 0 HH22 ARG A 61 -15.031 -7.423 3.459 1.00 50.14 H new ATOM 984 N ARG A 62 -6.480 -3.365 6.861 1.00 55.34 N ATOM 985 CA ARG A 62 -5.443 -2.472 7.391 1.00 73.21 C ATOM 986 C ARG A 62 -5.210 -1.288 6.443 1.00 61.34 C ATOM 987 O ARG A 62 -5.215 -1.444 5.222 1.00 43.02 O ATOM 988 CB ARG A 62 -4.137 -3.248 7.599 1.00 33.34 C ATOM 989 CG ARG A 62 -4.259 -4.397 8.595 1.00 31.40 C ATOM 990 CD ARG A 62 -4.578 -3.900 10.002 1.00 14.14 C ATOM 991 NE ARG A 62 -4.694 -5.002 10.953 1.00 42.42 N ATOM 992 CZ ARG A 62 -5.604 -5.072 11.884 1.00 24.43 C ATOM 993 NH1 ARG A 62 -6.486 -4.133 12.018 1.00 1.33 N ATOM 994 NH2 ARG A 62 -5.626 -6.077 12.692 1.00 62.32 N ATOM 0 H ARG A 62 -6.116 -4.173 6.356 1.00 55.34 H new ATOM 0 HA ARG A 62 -5.781 -2.082 8.351 1.00 73.21 H new ATOM 0 HB2 ARG A 62 -3.803 -3.644 6.640 1.00 33.34 H new ATOM 0 HB3 ARG A 62 -3.366 -2.559 7.945 1.00 33.34 H new ATOM 0 HG2 ARG A 62 -5.041 -5.081 8.266 1.00 31.40 H new ATOM 0 HG3 ARG A 62 -3.327 -4.963 8.612 1.00 31.40 H new ATOM 0 HD2 ARG A 62 -3.796 -3.216 10.332 1.00 14.14 H new ATOM 0 HD3 ARG A 62 -5.510 -3.335 9.985 1.00 14.14 H new ATOM 0 HE ARG A 62 -4.021 -5.765 10.885 1.00 42.42 H new ATOM 0 HH11 ARG A 62 -6.473 -3.328 11.392 1.00 1.33 H new ATOM 0 HH12 ARG A 62 -7.193 -4.198 12.750 1.00 1.33 H new ATOM 0 HH21 ARG A 62 -4.931 -6.818 12.603 1.00 62.32 H new ATOM 0 HH22 ARG A 62 -6.338 -6.131 13.420 1.00 62.32 H new ATOM 1008 N HIS A 63 -5.007 -0.101 7.010 1.00 0.22 N ATOM 1009 CA HIS A 63 -4.820 1.115 6.207 1.00 44.33 C ATOM 1010 C HIS A 63 -3.537 1.864 6.600 1.00 63.24 C ATOM 1011 O HIS A 63 -3.390 2.324 7.736 1.00 72.11 O ATOM 1012 CB HIS A 63 -6.033 2.038 6.361 1.00 1.04 C ATOM 1013 CG HIS A 63 -7.334 1.395 5.967 1.00 14.11 C ATOM 1014 ND1 HIS A 63 -7.605 0.954 4.688 1.00 54.21 N ATOM 1015 CD2 HIS A 63 -8.445 1.125 6.693 1.00 3.30 C ATOM 1016 CE1 HIS A 63 -8.823 0.452 4.644 1.00 1.11 C ATOM 1017 NE2 HIS A 63 -9.355 0.541 5.845 1.00 64.01 N ATOM 0 H HIS A 63 -4.967 0.049 8.018 1.00 0.22 H new ATOM 0 HA HIS A 63 -4.723 0.812 5.164 1.00 44.33 H new ATOM 0 HB2 HIS A 63 -6.099 2.367 7.398 1.00 1.04 H new ATOM 0 HB3 HIS A 63 -5.880 2.930 5.753 1.00 1.04 H new ATOM 0 HD2 HIS A 63 -8.589 1.331 7.743 1.00 3.30 H new ATOM 0 HE1 HIS A 63 -9.304 0.038 3.770 1.00 1.11 H new ATOM 0 HE2 HIS A 63 -10.290 0.227 6.104 1.00 64.01 H new ATOM 1026 N PHE A 64 -2.616 1.986 5.651 1.00 71.21 N ATOM 1027 CA PHE A 64 -1.346 2.683 5.873 1.00 14.43 C ATOM 1028 C PHE A 64 -1.252 3.945 5.000 1.00 42.04 C ATOM 1029 O PHE A 64 -1.315 3.867 3.777 1.00 65.51 O ATOM 1030 CB PHE A 64 -0.172 1.748 5.553 1.00 52.32 C ATOM 1031 CG PHE A 64 -0.208 0.449 6.318 1.00 73.11 C ATOM 1032 CD1 PHE A 64 0.264 0.383 7.620 1.00 34.34 C ATOM 1033 CD2 PHE A 64 -0.717 -0.704 5.735 1.00 55.54 C ATOM 1034 CE1 PHE A 64 0.230 -0.806 8.323 1.00 45.40 C ATOM 1035 CE2 PHE A 64 -0.751 -1.893 6.436 1.00 11.44 C ATOM 1036 CZ PHE A 64 -0.278 -1.943 7.730 1.00 71.11 C ATOM 0 H PHE A 64 -2.723 1.608 4.710 1.00 71.21 H new ATOM 0 HA PHE A 64 -1.300 2.981 6.920 1.00 14.43 H new ATOM 0 HB2 PHE A 64 -0.172 1.531 4.485 1.00 52.32 H new ATOM 0 HB3 PHE A 64 0.763 2.264 5.773 1.00 52.32 H new ATOM 0 HD1 PHE A 64 0.662 1.270 8.090 1.00 34.34 H new ATOM 0 HD2 PHE A 64 -1.090 -0.670 4.722 1.00 55.54 H new ATOM 0 HE1 PHE A 64 0.601 -0.845 9.336 1.00 45.40 H new ATOM 0 HE2 PHE A 64 -1.148 -2.783 5.971 1.00 11.44 H new ATOM 0 HZ PHE A 64 -0.305 -2.872 8.279 1.00 71.11 H new ATOM 1046 N ILE A 65 -1.108 5.105 5.630 1.00 74.22 N ATOM 1047 CA ILE A 65 -0.981 6.367 4.894 1.00 63.30 C ATOM 1048 C ILE A 65 0.483 6.647 4.536 1.00 44.25 C ATOM 1049 O ILE A 65 1.375 6.467 5.365 1.00 33.22 O ATOM 1050 CB ILE A 65 -1.551 7.556 5.711 1.00 75.55 C ATOM 1051 CG1 ILE A 65 -3.052 7.345 5.976 1.00 42.40 C ATOM 1052 CG2 ILE A 65 -1.305 8.880 4.984 1.00 31.13 C ATOM 1053 CD1 ILE A 65 -3.703 8.473 6.746 1.00 11.22 C ATOM 0 H ILE A 65 -1.076 5.203 6.645 1.00 74.22 H new ATOM 0 HA ILE A 65 -1.560 6.265 3.976 1.00 63.30 H new ATOM 0 HB ILE A 65 -1.034 7.600 6.670 1.00 75.55 H new ATOM 0 HG12 ILE A 65 -3.566 7.225 5.022 1.00 42.40 H new ATOM 0 HG13 ILE A 65 -3.186 6.416 6.529 1.00 42.40 H new ATOM 0 HG21 ILE A 65 -1.713 9.701 5.574 1.00 31.13 H new ATOM 0 HG22 ILE A 65 -0.233 9.027 4.849 1.00 31.13 H new ATOM 0 HG23 ILE A 65 -1.793 8.856 4.010 1.00 31.13 H new ATOM 0 HD11 ILE A 65 -4.760 8.251 6.893 1.00 11.22 H new ATOM 0 HD12 ILE A 65 -3.216 8.580 7.715 1.00 11.22 H new ATOM 0 HD13 ILE A 65 -3.602 9.402 6.185 1.00 11.22 H new ATOM 1065 N ILE A 66 0.722 7.074 3.295 1.00 2.34 N ATOM 1066 CA ILE A 66 2.075 7.389 2.832 1.00 71.21 C ATOM 1067 C ILE A 66 2.439 8.856 3.117 1.00 42.30 C ATOM 1068 O ILE A 66 1.871 9.778 2.525 1.00 24.44 O ATOM 1069 CB ILE A 66 2.225 7.122 1.308 1.00 31.04 C ATOM 1070 CG1 ILE A 66 1.890 5.657 0.983 1.00 55.53 C ATOM 1071 CG2 ILE A 66 3.637 7.471 0.839 1.00 10.41 C ATOM 1072 CD1 ILE A 66 1.957 5.315 -0.494 1.00 2.21 C ATOM 0 H ILE A 66 -0.004 7.210 2.592 1.00 2.34 H new ATOM 0 HA ILE A 66 2.754 6.738 3.382 1.00 71.21 H new ATOM 0 HB ILE A 66 1.521 7.760 0.774 1.00 31.04 H new ATOM 0 HG12 ILE A 66 2.579 5.010 1.526 1.00 55.53 H new ATOM 0 HG13 ILE A 66 0.888 5.435 1.350 1.00 55.53 H new ATOM 0 HG21 ILE A 66 3.723 7.278 -0.230 1.00 10.41 H new ATOM 0 HG22 ILE A 66 3.835 8.525 1.034 1.00 10.41 H new ATOM 0 HG23 ILE A 66 4.361 6.860 1.378 1.00 10.41 H new ATOM 0 HD11 ILE A 66 1.707 4.264 -0.636 1.00 2.21 H new ATOM 0 HD12 ILE A 66 1.247 5.934 -1.043 1.00 2.21 H new ATOM 0 HD13 ILE A 66 2.965 5.502 -0.865 1.00 2.21 H new ATOM 1084 N GLN A 67 3.382 9.070 4.032 1.00 31.15 N ATOM 1085 CA GLN A 67 3.892 10.416 4.314 1.00 43.14 C ATOM 1086 C GLN A 67 5.060 10.767 3.378 1.00 72.55 C ATOM 1087 O GLN A 67 6.075 10.068 3.352 1.00 71.34 O ATOM 1088 CB GLN A 67 4.361 10.538 5.778 1.00 75.33 C ATOM 1089 CG GLN A 67 3.254 10.379 6.819 1.00 41.43 C ATOM 1090 CD GLN A 67 2.736 8.957 6.934 1.00 12.11 C ATOM 1091 OE1 GLN A 67 3.464 7.998 6.704 1.00 2.24 O ATOM 1092 NE2 GLN A 67 1.480 8.808 7.295 1.00 23.31 N ATOM 0 H GLN A 67 3.810 8.332 4.591 1.00 31.15 H new ATOM 0 HA GLN A 67 3.072 11.114 4.144 1.00 43.14 H new ATOM 0 HB2 GLN A 67 5.127 9.785 5.964 1.00 75.33 H new ATOM 0 HB3 GLN A 67 4.832 11.511 5.914 1.00 75.33 H new ATOM 0 HG2 GLN A 67 3.630 10.701 7.790 1.00 41.43 H new ATOM 0 HG3 GLN A 67 2.426 11.040 6.562 1.00 41.43 H new ATOM 0 HE21 GLN A 67 0.902 9.628 7.479 1.00 23.31 H new ATOM 0 HE22 GLN A 67 1.084 7.873 7.391 1.00 23.31 H new ATOM 1101 N TYR A 68 4.917 11.839 2.602 1.00 53.41 N ATOM 1102 CA TYR A 68 6.018 12.311 1.759 1.00 0.23 C ATOM 1103 C TYR A 68 6.893 13.300 2.548 1.00 63.23 C ATOM 1104 O TYR A 68 6.580 14.489 2.648 1.00 54.05 O ATOM 1105 CB TYR A 68 5.474 12.961 0.475 1.00 44.22 C ATOM 1106 CG TYR A 68 6.547 13.311 -0.546 1.00 22.34 C ATOM 1107 CD1 TYR A 68 7.393 12.330 -1.055 1.00 30.53 C ATOM 1108 CD2 TYR A 68 6.708 14.614 -1.010 1.00 44.32 C ATOM 1109 CE1 TYR A 68 8.361 12.637 -1.992 1.00 50.55 C ATOM 1110 CE2 TYR A 68 7.676 14.926 -1.948 1.00 32.13 C ATOM 1111 CZ TYR A 68 8.499 13.934 -2.435 1.00 42.32 C ATOM 1112 OH TYR A 68 9.466 14.240 -3.369 1.00 45.31 O ATOM 0 H TYR A 68 4.063 12.392 2.538 1.00 53.41 H new ATOM 0 HA TYR A 68 6.633 11.459 1.468 1.00 0.23 H new ATOM 0 HB2 TYR A 68 4.756 12.283 0.014 1.00 44.22 H new ATOM 0 HB3 TYR A 68 4.931 13.868 0.741 1.00 44.22 H new ATOM 0 HD1 TYR A 68 7.291 11.311 -0.712 1.00 30.53 H new ATOM 0 HD2 TYR A 68 6.066 15.395 -0.631 1.00 44.32 H new ATOM 0 HE1 TYR A 68 9.008 11.862 -2.376 1.00 50.55 H new ATOM 0 HE2 TYR A 68 7.786 15.942 -2.297 1.00 32.13 H new ATOM 0 HH TYR A 68 10.084 14.903 -2.995 1.00 45.31 H new ATOM 1122 N VAL A 69 7.982 12.786 3.121 1.00 34.33 N ATOM 1123 CA VAL A 69 8.870 13.576 3.984 1.00 71.21 C ATOM 1124 C VAL A 69 10.338 13.335 3.600 1.00 55.44 C ATOM 1125 O VAL A 69 10.710 12.219 3.228 1.00 20.24 O ATOM 1126 CB VAL A 69 8.668 13.212 5.484 1.00 42.40 C ATOM 1127 CG1 VAL A 69 9.437 14.174 6.388 1.00 72.52 C ATOM 1128 CG2 VAL A 69 7.184 13.195 5.859 1.00 40.34 C ATOM 0 H VAL A 69 8.275 11.816 3.003 1.00 34.33 H new ATOM 0 HA VAL A 69 8.620 14.627 3.841 1.00 71.21 H new ATOM 0 HB VAL A 69 9.064 12.208 5.633 1.00 42.40 H new ATOM 0 HG11 VAL A 69 9.279 13.898 7.431 1.00 72.52 H new ATOM 0 HG12 VAL A 69 10.501 14.120 6.155 1.00 72.52 H new ATOM 0 HG13 VAL A 69 9.081 15.191 6.224 1.00 72.52 H new ATOM 0 HG21 VAL A 69 7.078 12.937 6.913 1.00 40.34 H new ATOM 0 HG22 VAL A 69 6.752 14.180 5.681 1.00 40.34 H new ATOM 0 HG23 VAL A 69 6.663 12.455 5.251 1.00 40.34 H new ATOM 1138 N ASP A 70 11.168 14.379 3.679 1.00 44.44 N ATOM 1139 CA ASP A 70 12.573 14.292 3.251 1.00 74.23 C ATOM 1140 C ASP A 70 12.673 13.912 1.762 1.00 72.33 C ATOM 1141 O ASP A 70 13.663 13.324 1.321 1.00 74.42 O ATOM 1142 CB ASP A 70 13.344 13.279 4.117 1.00 11.51 C ATOM 1143 CG ASP A 70 13.556 13.767 5.540 1.00 10.12 C ATOM 1144 OD1 ASP A 70 12.605 13.722 6.344 1.00 1.23 O ATOM 1145 OD2 ASP A 70 14.686 14.185 5.866 1.00 0.12 O ATOM 0 H ASP A 70 10.895 15.295 4.035 1.00 44.44 H new ATOM 0 HA ASP A 70 13.025 15.275 3.383 1.00 74.23 H new ATOM 0 HB2 ASP A 70 12.798 12.336 4.138 1.00 11.51 H new ATOM 0 HB3 ASP A 70 14.312 13.077 3.658 1.00 11.51 H new ATOM 1150 N ASN A 71 11.647 14.285 0.991 1.00 2.14 N ATOM 1151 CA ASN A 71 11.535 13.906 -0.426 1.00 51.03 C ATOM 1152 C ASN A 71 11.519 12.377 -0.612 1.00 40.41 C ATOM 1153 O ASN A 71 11.916 11.858 -1.657 1.00 54.32 O ATOM 1154 CB ASN A 71 12.661 14.544 -1.255 1.00 15.00 C ATOM 1155 CG ASN A 71 12.441 16.032 -1.462 1.00 11.42 C ATOM 1156 OD1 ASN A 71 11.796 16.442 -2.422 1.00 13.33 O ATOM 1157 ND2 ASN A 71 12.956 16.848 -0.567 1.00 20.42 N ATOM 0 H ASN A 71 10.872 14.856 1.327 1.00 2.14 H new ATOM 0 HA ASN A 71 10.581 14.288 -0.788 1.00 51.03 H new ATOM 0 HB2 ASN A 71 13.616 14.385 -0.753 1.00 15.00 H new ATOM 0 HB3 ASN A 71 12.724 14.048 -2.224 1.00 15.00 H new ATOM 0 HD21 ASN A 71 12.824 17.855 -0.659 1.00 20.42 H new ATOM 0 HD22 ASN A 71 13.487 16.473 0.219 1.00 20.42 H new ATOM 1164 N MET A 72 11.026 11.661 0.401 1.00 50.11 N ATOM 1165 CA MET A 72 10.890 10.202 0.335 1.00 73.23 C ATOM 1166 C MET A 72 9.522 9.744 0.871 1.00 1.34 C ATOM 1167 O MET A 72 9.001 10.305 1.838 1.00 32.42 O ATOM 1168 CB MET A 72 12.020 9.523 1.124 1.00 71.25 C ATOM 1169 CG MET A 72 13.410 9.793 0.561 1.00 32.24 C ATOM 1170 SD MET A 72 14.711 8.980 1.509 1.00 73.33 S ATOM 1171 CE MET A 72 16.156 9.389 0.531 1.00 13.22 C ATOM 0 H MET A 72 10.713 12.069 1.282 1.00 50.11 H new ATOM 0 HA MET A 72 10.960 9.907 -0.712 1.00 73.23 H new ATOM 0 HB2 MET A 72 11.984 9.864 2.159 1.00 71.25 H new ATOM 0 HB3 MET A 72 11.846 8.447 1.137 1.00 71.25 H new ATOM 0 HG2 MET A 72 13.452 9.452 -0.473 1.00 32.24 H new ATOM 0 HG3 MET A 72 13.591 10.868 0.550 1.00 32.24 H new ATOM 0 HE1 MET A 72 17.043 8.954 0.992 1.00 13.22 H new ATOM 0 HE2 MET A 72 16.038 8.990 -0.476 1.00 13.22 H new ATOM 0 HE3 MET A 72 16.267 10.472 0.481 1.00 13.22 H new ATOM 1181 N TYR A 73 8.947 8.736 0.225 1.00 11.44 N ATOM 1182 CA TYR A 73 7.661 8.169 0.636 1.00 64.01 C ATOM 1183 C TYR A 73 7.852 7.130 1.750 1.00 14.21 C ATOM 1184 O TYR A 73 8.518 6.110 1.555 1.00 11.13 O ATOM 1185 CB TYR A 73 6.963 7.522 -0.571 1.00 22.54 C ATOM 1186 CG TYR A 73 6.705 8.485 -1.718 1.00 33.14 C ATOM 1187 CD1 TYR A 73 5.554 9.266 -1.752 1.00 70.03 C ATOM 1188 CD2 TYR A 73 7.613 8.611 -2.767 1.00 43.24 C ATOM 1189 CE1 TYR A 73 5.313 10.140 -2.795 1.00 44.53 C ATOM 1190 CE2 TYR A 73 7.376 9.482 -3.813 1.00 64.25 C ATOM 1191 CZ TYR A 73 6.227 10.244 -3.823 1.00 5.21 C ATOM 1192 OH TYR A 73 5.990 11.109 -4.864 1.00 42.53 O ATOM 0 H TYR A 73 9.354 8.288 -0.596 1.00 11.44 H new ATOM 0 HA TYR A 73 7.038 8.976 1.022 1.00 64.01 H new ATOM 0 HB2 TYR A 73 7.575 6.696 -0.933 1.00 22.54 H new ATOM 0 HB3 TYR A 73 6.014 7.097 -0.245 1.00 22.54 H new ATOM 0 HD1 TYR A 73 4.836 9.188 -0.949 1.00 70.03 H new ATOM 0 HD2 TYR A 73 8.516 8.019 -2.763 1.00 43.24 H new ATOM 0 HE1 TYR A 73 4.414 10.738 -2.805 1.00 44.53 H new ATOM 0 HE2 TYR A 73 8.089 9.566 -4.620 1.00 64.25 H new ATOM 0 HH TYR A 73 6.731 11.062 -5.503 1.00 42.53 H new ATOM 1202 N ARG A 74 7.263 7.397 2.913 1.00 62.25 N ATOM 1203 CA ARG A 74 7.421 6.534 4.090 1.00 13.13 C ATOM 1204 C ARG A 74 6.066 6.222 4.750 1.00 4.12 C ATOM 1205 O ARG A 74 5.107 6.975 4.603 1.00 55.53 O ATOM 1206 CB ARG A 74 8.353 7.221 5.102 1.00 63.23 C ATOM 1207 CG ARG A 74 7.918 8.641 5.452 1.00 35.13 C ATOM 1208 CD ARG A 74 8.911 9.345 6.371 1.00 53.15 C ATOM 1209 NE ARG A 74 8.940 8.770 7.716 1.00 34.32 N ATOM 1210 CZ ARG A 74 9.248 9.439 8.795 1.00 72.55 C ATOM 1211 NH1 ARG A 74 9.599 10.682 8.717 1.00 31.23 N ATOM 1212 NH2 ARG A 74 9.224 8.859 9.950 1.00 71.20 N ATOM 0 H ARG A 74 6.667 8.210 3.070 1.00 62.25 H new ATOM 0 HA ARG A 74 7.855 5.588 3.766 1.00 13.13 H new ATOM 0 HB2 ARG A 74 8.392 6.625 6.014 1.00 63.23 H new ATOM 0 HB3 ARG A 74 9.364 7.247 4.695 1.00 63.23 H new ATOM 0 HG2 ARG A 74 7.803 9.219 4.535 1.00 35.13 H new ATOM 0 HG3 ARG A 74 6.941 8.610 5.934 1.00 35.13 H new ATOM 0 HD2 ARG A 74 9.908 9.288 5.934 1.00 53.15 H new ATOM 0 HD3 ARG A 74 8.652 10.402 6.437 1.00 53.15 H new ATOM 0 HE ARG A 74 8.704 7.783 7.818 1.00 34.32 H new ATOM 0 HH11 ARG A 74 9.636 11.145 7.809 1.00 31.23 H new ATOM 0 HH12 ARG A 74 9.838 11.198 9.563 1.00 31.23 H new ATOM 0 HH21 ARG A 74 8.964 7.875 10.021 1.00 71.20 H new ATOM 0 HH22 ARG A 74 9.465 9.385 10.790 1.00 71.20 H new ATOM 1226 N PHE A 75 5.997 5.100 5.467 1.00 75.40 N ATOM 1227 CA PHE A 75 4.798 4.739 6.242 1.00 71.44 C ATOM 1228 C PHE A 75 5.004 5.032 7.738 1.00 11.53 C ATOM 1229 O PHE A 75 4.241 5.779 8.350 1.00 42.24 O ATOM 1230 CB PHE A 75 4.456 3.256 6.050 1.00 74.51 C ATOM 1231 CG PHE A 75 3.962 2.905 4.665 1.00 43.33 C ATOM 1232 CD1 PHE A 75 2.698 3.301 4.248 1.00 62.14 C ATOM 1233 CD2 PHE A 75 4.748 2.167 3.788 1.00 5.23 C ATOM 1234 CE1 PHE A 75 2.230 2.971 2.992 1.00 44.41 C ATOM 1235 CE2 PHE A 75 4.282 1.837 2.528 1.00 33.23 C ATOM 1236 CZ PHE A 75 3.021 2.239 2.133 1.00 4.35 C ATOM 0 H PHE A 75 6.756 4.421 5.531 1.00 75.40 H new ATOM 0 HA PHE A 75 3.970 5.346 5.875 1.00 71.44 H new ATOM 0 HB2 PHE A 75 5.342 2.660 6.269 1.00 74.51 H new ATOM 0 HB3 PHE A 75 3.694 2.974 6.777 1.00 74.51 H new ATOM 0 HD1 PHE A 75 2.073 3.875 4.916 1.00 62.14 H new ATOM 0 HD2 PHE A 75 5.733 1.848 4.094 1.00 5.23 H new ATOM 0 HE1 PHE A 75 1.244 3.286 2.683 1.00 44.41 H new ATOM 0 HE2 PHE A 75 4.903 1.266 1.854 1.00 33.23 H new ATOM 0 HZ PHE A 75 2.655 1.980 1.151 1.00 4.35 H new ATOM 1246 N GLU A 76 6.026 4.413 8.324 1.00 64.12 N ATOM 1247 CA GLU A 76 6.392 4.663 9.724 1.00 53.14 C ATOM 1248 C GLU A 76 7.781 5.318 9.817 1.00 44.23 C ATOM 1249 O GLU A 76 7.898 6.535 9.973 1.00 13.52 O ATOM 1250 CB GLU A 76 6.366 3.350 10.525 1.00 64.42 C ATOM 1251 CG GLU A 76 6.804 3.483 11.985 1.00 1.14 C ATOM 1252 CD GLU A 76 5.901 4.393 12.801 1.00 62.32 C ATOM 1253 OE1 GLU A 76 4.858 3.915 13.291 1.00 63.22 O ATOM 1254 OE2 GLU A 76 6.235 5.585 12.963 1.00 40.15 O ATOM 0 H GLU A 76 6.620 3.731 7.852 1.00 64.12 H new ATOM 0 HA GLU A 76 5.661 5.350 10.151 1.00 53.14 H new ATOM 0 HB2 GLU A 76 5.355 2.944 10.499 1.00 64.42 H new ATOM 0 HB3 GLU A 76 7.013 2.626 10.030 1.00 64.42 H new ATOM 0 HG2 GLU A 76 6.822 2.494 12.443 1.00 1.14 H new ATOM 0 HG3 GLU A 76 7.823 3.869 12.018 1.00 1.14 H new ATOM 1261 N GLY A 77 8.833 4.508 9.712 1.00 0.15 N ATOM 1262 CA GLY A 77 10.191 5.033 9.764 1.00 22.02 C ATOM 1263 C GLY A 77 10.726 5.450 8.395 1.00 21.51 C ATOM 1264 O GLY A 77 10.313 6.472 7.847 1.00 1.21 O ATOM 0 H GLY A 77 8.770 3.497 9.592 1.00 0.15 H new ATOM 0 HA2 GLY A 77 10.216 5.892 10.434 1.00 22.02 H new ATOM 0 HA3 GLY A 77 10.850 4.277 10.190 1.00 22.02 H new ATOM 1268 N THR A 78 11.636 4.653 7.841 1.00 34.13 N ATOM 1269 CA THR A 78 12.283 4.977 6.554 1.00 73.32 C ATOM 1270 C THR A 78 11.346 4.769 5.349 1.00 12.54 C ATOM 1271 O THR A 78 10.227 4.265 5.488 1.00 73.23 O ATOM 1272 CB THR A 78 13.571 4.141 6.346 1.00 21.44 C ATOM 1273 OG1 THR A 78 14.224 4.522 5.123 1.00 54.23 O ATOM 1274 CG2 THR A 78 13.265 2.647 6.313 1.00 34.10 C ATOM 0 H THR A 78 11.948 3.775 8.257 1.00 34.13 H new ATOM 0 HA THR A 78 12.538 6.035 6.607 1.00 73.32 H new ATOM 0 HB THR A 78 14.231 4.341 7.190 1.00 21.44 H new ATOM 0 HG1 THR A 78 15.037 3.987 5.006 1.00 54.23 H new ATOM 0 HG21 THR A 78 14.190 2.089 6.166 1.00 34.10 H new ATOM 0 HG22 THR A 78 12.808 2.348 7.256 1.00 34.10 H new ATOM 0 HG23 THR A 78 12.579 2.434 5.493 1.00 34.10 H new ATOM 1282 N GLY A 79 11.815 5.159 4.163 1.00 13.41 N ATOM 1283 CA GLY A 79 11.006 5.050 2.952 1.00 54.43 C ATOM 1284 C GLY A 79 11.811 5.262 1.667 1.00 63.45 C ATOM 1285 O GLY A 79 13.019 5.496 1.710 1.00 34.31 O ATOM 0 H GLY A 79 12.745 5.551 4.017 1.00 13.41 H new ATOM 0 HA2 GLY A 79 10.539 4.065 2.922 1.00 54.43 H new ATOM 0 HA3 GLY A 79 10.201 5.783 2.994 1.00 54.43 H new ATOM 1289 N PHE A 80 11.136 5.196 0.516 1.00 34.52 N ATOM 1290 CA PHE A 80 11.803 5.315 -0.790 1.00 0.35 C ATOM 1291 C PHE A 80 11.340 6.564 -1.552 1.00 4.30 C ATOM 1292 O PHE A 80 10.193 6.981 -1.434 1.00 73.44 O ATOM 1293 CB PHE A 80 11.526 4.068 -1.641 1.00 51.50 C ATOM 1294 CG PHE A 80 12.158 2.806 -1.106 1.00 10.00 C ATOM 1295 CD1 PHE A 80 11.592 2.128 -0.035 1.00 75.21 C ATOM 1296 CD2 PHE A 80 13.314 2.294 -1.677 1.00 2.32 C ATOM 1297 CE1 PHE A 80 12.162 0.969 0.452 1.00 15.02 C ATOM 1298 CE2 PHE A 80 13.890 1.134 -1.191 1.00 34.32 C ATOM 1299 CZ PHE A 80 13.314 0.472 -0.127 1.00 12.13 C ATOM 0 H PHE A 80 10.127 5.061 0.459 1.00 34.52 H new ATOM 0 HA PHE A 80 12.873 5.406 -0.603 1.00 0.35 H new ATOM 0 HB2 PHE A 80 10.448 3.921 -1.711 1.00 51.50 H new ATOM 0 HB3 PHE A 80 11.890 4.243 -2.653 1.00 51.50 H new ATOM 0 HD1 PHE A 80 10.693 2.513 0.424 1.00 75.21 H new ATOM 0 HD2 PHE A 80 13.770 2.807 -2.511 1.00 2.32 H new ATOM 0 HE1 PHE A 80 11.708 0.451 1.284 1.00 15.02 H new ATOM 0 HE2 PHE A 80 14.790 0.747 -1.645 1.00 34.32 H new ATOM 0 HZ PHE A 80 13.763 -0.434 0.253 1.00 12.13 H new ATOM 1309 N SER A 81 12.232 7.140 -2.360 1.00 33.41 N ATOM 1310 CA SER A 81 11.913 8.351 -3.147 1.00 20.41 C ATOM 1311 C SER A 81 10.894 8.068 -4.265 1.00 21.25 C ATOM 1312 O SER A 81 10.399 8.989 -4.912 1.00 73.23 O ATOM 1313 CB SER A 81 13.189 8.951 -3.763 1.00 52.51 C ATOM 1314 OG SER A 81 14.115 9.340 -2.761 1.00 23.41 O ATOM 0 H SER A 81 13.182 6.794 -2.492 1.00 33.41 H new ATOM 0 HA SER A 81 11.467 9.065 -2.454 1.00 20.41 H new ATOM 0 HB2 SER A 81 13.653 8.220 -4.425 1.00 52.51 H new ATOM 0 HB3 SER A 81 12.928 9.815 -4.374 1.00 52.51 H new ATOM 0 HG SER A 81 14.916 9.716 -3.183 1.00 23.41 H new ATOM 1320 N ASN A 82 10.589 6.790 -4.493 1.00 74.41 N ATOM 1321 CA ASN A 82 9.625 6.389 -5.527 1.00 52.13 C ATOM 1322 C ASN A 82 8.538 5.480 -4.936 1.00 74.35 C ATOM 1323 O ASN A 82 8.850 4.500 -4.255 1.00 74.52 O ATOM 1324 CB ASN A 82 10.341 5.648 -6.666 1.00 11.42 C ATOM 1325 CG ASN A 82 11.506 6.431 -7.247 1.00 42.23 C ATOM 1326 OD1 ASN A 82 11.512 7.655 -7.249 1.00 32.04 O ATOM 1327 ND2 ASN A 82 12.500 5.729 -7.752 1.00 72.01 N ATOM 0 H ASN A 82 10.995 6.010 -3.976 1.00 74.41 H new ATOM 0 HA ASN A 82 9.158 7.293 -5.918 1.00 52.13 H new ATOM 0 HB2 ASN A 82 10.704 4.689 -6.296 1.00 11.42 H new ATOM 0 HB3 ASN A 82 9.624 5.433 -7.459 1.00 11.42 H new ATOM 0 HD21 ASN A 82 13.305 6.205 -8.160 1.00 72.01 H new ATOM 0 HD22 ASN A 82 12.465 4.710 -7.735 1.00 72.01 H new ATOM 1334 N ILE A 83 7.270 5.792 -5.209 1.00 70.43 N ATOM 1335 CA ILE A 83 6.148 4.966 -4.733 1.00 14.45 C ATOM 1336 C ILE A 83 6.240 3.510 -5.255 1.00 70.35 C ATOM 1337 O ILE A 83 6.107 2.566 -4.474 1.00 13.43 O ATOM 1338 CB ILE A 83 4.773 5.579 -5.120 1.00 12.20 C ATOM 1339 CG1 ILE A 83 4.625 6.983 -4.512 1.00 31.42 C ATOM 1340 CG2 ILE A 83 3.624 4.671 -4.670 1.00 40.55 C ATOM 1341 CD1 ILE A 83 3.302 7.659 -4.821 1.00 5.24 C ATOM 0 H ILE A 83 6.990 6.607 -5.755 1.00 70.43 H new ATOM 0 HA ILE A 83 6.224 4.947 -3.646 1.00 14.45 H new ATOM 0 HB ILE A 83 4.729 5.664 -6.206 1.00 12.20 H new ATOM 0 HG12 ILE A 83 4.740 6.912 -3.430 1.00 31.42 H new ATOM 0 HG13 ILE A 83 5.436 7.613 -4.878 1.00 31.42 H new ATOM 0 HG21 ILE A 83 2.672 5.121 -4.952 1.00 40.55 H new ATOM 0 HG22 ILE A 83 3.721 3.697 -5.150 1.00 40.55 H new ATOM 0 HG23 ILE A 83 3.660 4.548 -3.588 1.00 40.55 H new ATOM 0 HD11 ILE A 83 3.279 8.644 -4.355 1.00 5.24 H new ATOM 0 HD12 ILE A 83 3.191 7.765 -5.900 1.00 5.24 H new ATOM 0 HD13 ILE A 83 2.484 7.054 -4.430 1.00 5.24 H new ATOM 1353 N PRO A 84 6.476 3.295 -6.577 1.00 75.30 N ATOM 1354 CA PRO A 84 6.683 1.943 -7.128 1.00 32.33 C ATOM 1355 C PRO A 84 7.780 1.163 -6.379 1.00 0.21 C ATOM 1356 O PRO A 84 7.589 0.009 -6.014 1.00 42.33 O ATOM 1357 CB PRO A 84 7.084 2.195 -8.599 1.00 12.31 C ATOM 1358 CG PRO A 84 7.391 3.654 -8.683 1.00 40.35 C ATOM 1359 CD PRO A 84 6.537 4.315 -7.640 1.00 34.44 C ATOM 0 HA PRO A 84 5.790 1.327 -7.029 1.00 32.33 H new ATOM 0 HB2 PRO A 84 7.950 1.595 -8.878 1.00 12.31 H new ATOM 0 HB3 PRO A 84 6.276 1.924 -9.278 1.00 12.31 H new ATOM 0 HG2 PRO A 84 8.449 3.842 -8.498 1.00 40.35 H new ATOM 0 HG3 PRO A 84 7.167 4.044 -9.676 1.00 40.35 H new ATOM 0 HD2 PRO A 84 6.980 5.245 -7.284 1.00 34.44 H new ATOM 0 HD3 PRO A 84 5.547 4.560 -8.023 1.00 34.44 H new ATOM 1367 N GLN A 85 8.920 1.815 -6.126 1.00 72.13 N ATOM 1368 CA GLN A 85 10.031 1.181 -5.395 1.00 70.13 C ATOM 1369 C GLN A 85 9.638 0.832 -3.952 1.00 12.41 C ATOM 1370 O GLN A 85 10.002 -0.223 -3.441 1.00 3.41 O ATOM 1371 CB GLN A 85 11.276 2.088 -5.396 1.00 52.13 C ATOM 1372 CG GLN A 85 12.061 2.068 -6.705 1.00 50.53 C ATOM 1373 CD GLN A 85 12.681 0.707 -6.997 1.00 15.55 C ATOM 1374 OE1 GLN A 85 13.800 0.415 -6.578 1.00 23.35 O ATOM 1375 NE2 GLN A 85 11.967 -0.137 -7.717 1.00 50.41 N ATOM 0 H GLN A 85 9.101 2.777 -6.414 1.00 72.13 H new ATOM 0 HA GLN A 85 10.268 0.252 -5.914 1.00 70.13 H new ATOM 0 HB2 GLN A 85 10.966 3.112 -5.186 1.00 52.13 H new ATOM 0 HB3 GLN A 85 11.936 1.782 -4.584 1.00 52.13 H new ATOM 0 HG2 GLN A 85 11.399 2.345 -7.525 1.00 50.53 H new ATOM 0 HG3 GLN A 85 12.849 2.820 -6.663 1.00 50.53 H new ATOM 0 HE21 GLN A 85 11.042 0.133 -8.051 1.00 50.41 H new ATOM 0 HE22 GLN A 85 12.340 -1.060 -7.940 1.00 50.41 H new ATOM 1384 N LEU A 86 8.894 1.722 -3.302 1.00 52.13 N ATOM 1385 CA LEU A 86 8.424 1.486 -1.931 1.00 73.23 C ATOM 1386 C LEU A 86 7.620 0.172 -1.833 1.00 60.34 C ATOM 1387 O LEU A 86 7.971 -0.737 -1.067 1.00 42.25 O ATOM 1388 CB LEU A 86 7.568 2.678 -1.472 1.00 0.52 C ATOM 1389 CG LEU A 86 7.000 2.595 -0.043 1.00 72.23 C ATOM 1390 CD1 LEU A 86 8.122 2.524 0.991 1.00 61.15 C ATOM 1391 CD2 LEU A 86 6.080 3.784 0.237 1.00 20.00 C ATOM 0 H LEU A 86 8.601 2.615 -3.698 1.00 52.13 H new ATOM 0 HA LEU A 86 9.291 1.389 -1.277 1.00 73.23 H new ATOM 0 HB2 LEU A 86 8.171 3.583 -1.549 1.00 0.52 H new ATOM 0 HB3 LEU A 86 6.735 2.789 -2.166 1.00 0.52 H new ATOM 0 HG LEU A 86 6.414 1.679 0.036 1.00 72.23 H new ATOM 0 HD11 LEU A 86 7.692 2.466 1.991 1.00 61.15 H new ATOM 0 HD12 LEU A 86 8.732 1.639 0.806 1.00 61.15 H new ATOM 0 HD13 LEU A 86 8.744 3.416 0.915 1.00 61.15 H new ATOM 0 HD21 LEU A 86 5.687 3.709 1.251 1.00 20.00 H new ATOM 0 HD22 LEU A 86 6.643 4.712 0.133 1.00 20.00 H new ATOM 0 HD23 LEU A 86 5.253 3.780 -0.473 1.00 20.00 H new ATOM 1403 N ILE A 87 6.557 0.074 -2.627 1.00 65.44 N ATOM 1404 CA ILE A 87 5.677 -1.100 -2.608 1.00 22.32 C ATOM 1405 C ILE A 87 6.356 -2.341 -3.216 1.00 11.20 C ATOM 1406 O ILE A 87 6.384 -3.408 -2.595 1.00 62.53 O ATOM 1407 CB ILE A 87 4.352 -0.809 -3.358 1.00 74.13 C ATOM 1408 CG1 ILE A 87 3.632 0.400 -2.728 1.00 72.53 C ATOM 1409 CG2 ILE A 87 3.442 -2.040 -3.358 1.00 71.11 C ATOM 1410 CD1 ILE A 87 3.264 0.218 -1.266 1.00 33.30 C ATOM 0 H ILE A 87 6.280 0.794 -3.295 1.00 65.44 H new ATOM 0 HA ILE A 87 5.459 -1.313 -1.562 1.00 22.32 H new ATOM 0 HB ILE A 87 4.592 -0.568 -4.394 1.00 74.13 H new ATOM 0 HG12 ILE A 87 4.271 1.278 -2.823 1.00 72.53 H new ATOM 0 HG13 ILE A 87 2.724 0.604 -3.296 1.00 72.53 H new ATOM 0 HG21 ILE A 87 2.519 -1.810 -3.890 1.00 71.11 H new ATOM 0 HG22 ILE A 87 3.950 -2.868 -3.853 1.00 71.11 H new ATOM 0 HG23 ILE A 87 3.208 -2.320 -2.331 1.00 71.11 H new ATOM 0 HD11 ILE A 87 2.762 1.115 -0.903 1.00 33.30 H new ATOM 0 HD12 ILE A 87 2.598 -0.638 -1.162 1.00 33.30 H new ATOM 0 HD13 ILE A 87 4.168 0.047 -0.682 1.00 33.30 H new ATOM 1422 N ASP A 88 6.920 -2.194 -4.417 1.00 62.42 N ATOM 1423 CA ASP A 88 7.580 -3.310 -5.115 1.00 54.15 C ATOM 1424 C ASP A 88 8.705 -3.931 -4.269 1.00 51.22 C ATOM 1425 O ASP A 88 8.786 -5.152 -4.137 1.00 74.00 O ATOM 1426 CB ASP A 88 8.133 -2.837 -6.466 1.00 0.41 C ATOM 1427 CG ASP A 88 8.882 -3.929 -7.216 1.00 43.15 C ATOM 1428 OD1 ASP A 88 8.229 -4.792 -7.835 1.00 44.14 O ATOM 1429 OD2 ASP A 88 10.132 -3.912 -7.209 1.00 31.41 O ATOM 0 H ASP A 88 6.935 -1.313 -4.931 1.00 62.42 H new ATOM 0 HA ASP A 88 6.830 -4.083 -5.282 1.00 54.15 H new ATOM 0 HB2 ASP A 88 7.310 -2.478 -7.084 1.00 0.41 H new ATOM 0 HB3 ASP A 88 8.801 -1.992 -6.303 1.00 0.41 H new ATOM 1434 N HIS A 89 9.567 -3.097 -3.686 1.00 40.41 N ATOM 1435 CA HIS A 89 10.682 -3.609 -2.889 1.00 15.50 C ATOM 1436 C HIS A 89 10.171 -4.333 -1.631 1.00 4.31 C ATOM 1437 O HIS A 89 10.746 -5.334 -1.220 1.00 60.20 O ATOM 1438 CB HIS A 89 11.654 -2.485 -2.508 1.00 42.14 C ATOM 1439 CG HIS A 89 12.981 -2.989 -2.017 1.00 33.13 C ATOM 1440 ND1 HIS A 89 13.934 -3.520 -2.860 1.00 40.44 N ATOM 1441 CD2 HIS A 89 13.512 -3.058 -0.768 1.00 10.23 C ATOM 1442 CE1 HIS A 89 14.987 -3.892 -2.160 1.00 52.22 C ATOM 1443 NE2 HIS A 89 14.759 -3.622 -0.892 1.00 2.24 N ATOM 0 H HIS A 89 9.517 -2.080 -3.749 1.00 40.41 H new ATOM 0 HA HIS A 89 11.224 -4.329 -3.502 1.00 15.50 H new ATOM 0 HB2 HIS A 89 11.815 -1.844 -3.375 1.00 42.14 H new ATOM 0 HB3 HIS A 89 11.199 -1.867 -1.734 1.00 42.14 H new ATOM 0 HD2 HIS A 89 13.043 -2.731 0.148 1.00 10.23 H new ATOM 0 HE1 HIS A 89 15.884 -4.342 -2.559 1.00 52.22 H new ATOM 0 HE2 HIS A 89 15.405 -3.803 -0.124 1.00 2.24 H new ATOM 1452 N HIS A 90 9.091 -3.825 -1.023 1.00 64.12 N ATOM 1453 CA HIS A 90 8.450 -4.530 0.102 1.00 51.43 C ATOM 1454 C HIS A 90 7.892 -5.894 -0.335 1.00 75.21 C ATOM 1455 O HIS A 90 8.050 -6.891 0.368 1.00 40.11 O ATOM 1456 CB HIS A 90 7.329 -3.680 0.727 1.00 33.41 C ATOM 1457 CG HIS A 90 7.796 -2.778 1.831 1.00 62.25 C ATOM 1458 ND1 HIS A 90 8.167 -1.466 1.634 1.00 23.42 N ATOM 1459 CD2 HIS A 90 7.940 -3.009 3.159 1.00 73.34 C ATOM 1460 CE1 HIS A 90 8.518 -0.932 2.788 1.00 14.01 C ATOM 1461 NE2 HIS A 90 8.390 -1.844 3.729 1.00 60.20 N ATOM 0 H HIS A 90 8.647 -2.944 -1.283 1.00 64.12 H new ATOM 0 HA HIS A 90 9.220 -4.698 0.855 1.00 51.43 H new ATOM 0 HB2 HIS A 90 6.867 -3.075 -0.053 1.00 33.41 H new ATOM 0 HB3 HIS A 90 6.556 -4.344 1.115 1.00 33.41 H new ATOM 0 HD1 HIS A 90 8.170 -0.983 0.736 1.00 23.42 H new ATOM 0 HD2 HIS A 90 7.738 -3.937 3.673 1.00 73.34 H new ATOM 0 HE1 HIS A 90 8.854 0.084 2.936 1.00 14.01 H new ATOM 1470 N TYR A 91 7.243 -5.928 -1.495 1.00 43.11 N ATOM 1471 CA TYR A 91 6.658 -7.166 -2.022 1.00 25.10 C ATOM 1472 C TYR A 91 7.744 -8.208 -2.358 1.00 73.32 C ATOM 1473 O TYR A 91 7.642 -9.373 -1.970 1.00 34.12 O ATOM 1474 CB TYR A 91 5.821 -6.861 -3.275 1.00 44.53 C ATOM 1475 CG TYR A 91 5.103 -8.075 -3.846 1.00 53.31 C ATOM 1476 CD1 TYR A 91 3.864 -8.469 -3.355 1.00 24.25 C ATOM 1477 CD2 TYR A 91 5.668 -8.831 -4.872 1.00 42.12 C ATOM 1478 CE1 TYR A 91 3.211 -9.573 -3.868 1.00 1.31 C ATOM 1479 CE2 TYR A 91 5.019 -9.936 -5.388 1.00 1.01 C ATOM 1480 CZ TYR A 91 3.791 -10.302 -4.883 1.00 63.10 C ATOM 1481 OH TYR A 91 3.139 -11.406 -5.390 1.00 24.33 O ATOM 0 H TYR A 91 7.106 -5.113 -2.092 1.00 43.11 H new ATOM 0 HA TYR A 91 6.016 -7.587 -1.248 1.00 25.10 H new ATOM 0 HB2 TYR A 91 5.084 -6.097 -3.030 1.00 44.53 H new ATOM 0 HB3 TYR A 91 6.472 -6.442 -4.042 1.00 44.53 H new ATOM 0 HD1 TYR A 91 3.404 -7.902 -2.559 1.00 24.25 H new ATOM 0 HD2 TYR A 91 6.631 -8.548 -5.271 1.00 42.12 H new ATOM 0 HE1 TYR A 91 2.248 -9.864 -3.474 1.00 1.31 H new ATOM 0 HE2 TYR A 91 5.472 -10.510 -6.183 1.00 1.01 H new ATOM 0 HH TYR A 91 3.681 -11.808 -6.101 1.00 24.33 H new ATOM 1491 N THR A 92 8.779 -7.779 -3.082 1.00 51.15 N ATOM 1492 CA THR A 92 9.876 -8.671 -3.486 1.00 4.13 C ATOM 1493 C THR A 92 10.666 -9.191 -2.275 1.00 4.52 C ATOM 1494 O THR A 92 10.954 -10.386 -2.178 1.00 12.03 O ATOM 1495 CB THR A 92 10.855 -7.969 -4.465 1.00 2.35 C ATOM 1496 OG1 THR A 92 11.400 -6.784 -3.863 1.00 3.50 O ATOM 1497 CG2 THR A 92 10.156 -7.603 -5.771 1.00 55.44 C ATOM 0 H THR A 92 8.884 -6.817 -3.403 1.00 51.15 H new ATOM 0 HA THR A 92 9.409 -9.515 -3.993 1.00 4.13 H new ATOM 0 HB THR A 92 11.663 -8.667 -4.686 1.00 2.35 H new ATOM 0 HG1 THR A 92 12.016 -6.352 -4.491 1.00 3.50 H new ATOM 0 HG21 THR A 92 10.865 -7.113 -6.438 1.00 55.44 H new ATOM 0 HG22 THR A 92 9.776 -8.507 -6.246 1.00 55.44 H new ATOM 0 HG23 THR A 92 9.327 -6.927 -5.563 1.00 55.44 H new ATOM 1505 N THR A 93 11.006 -8.292 -1.351 1.00 4.52 N ATOM 1506 CA THR A 93 11.726 -8.677 -0.124 1.00 24.12 C ATOM 1507 C THR A 93 10.798 -9.361 0.889 1.00 1.43 C ATOM 1508 O THR A 93 11.265 -9.975 1.849 1.00 42.11 O ATOM 1509 CB THR A 93 12.388 -7.463 0.571 1.00 52.44 C ATOM 1510 OG1 THR A 93 11.384 -6.541 1.030 1.00 15.15 O ATOM 1511 CG2 THR A 93 13.348 -6.750 -0.376 1.00 0.20 C ATOM 0 H THR A 93 10.798 -7.296 -1.422 1.00 4.52 H new ATOM 0 HA THR A 93 12.500 -9.374 -0.446 1.00 24.12 H new ATOM 0 HB THR A 93 12.954 -7.832 1.426 1.00 52.44 H new ATOM 0 HG1 THR A 93 10.986 -6.082 0.261 1.00 15.15 H new ATOM 0 HG21 THR A 93 13.800 -5.901 0.136 1.00 0.20 H new ATOM 0 HG22 THR A 93 14.129 -7.442 -0.691 1.00 0.20 H new ATOM 0 HG23 THR A 93 12.801 -6.397 -1.251 1.00 0.20 H new ATOM 1519 N LYS A 94 9.485 -9.230 0.678 1.00 14.23 N ATOM 1520 CA LYS A 94 8.476 -9.854 1.545 1.00 60.15 C ATOM 1521 C LYS A 94 8.586 -9.325 2.992 1.00 13.14 C ATOM 1522 O LYS A 94 8.338 -10.047 3.961 1.00 53.11 O ATOM 1523 CB LYS A 94 8.629 -11.387 1.505 1.00 4.34 C ATOM 1524 CG LYS A 94 7.374 -12.157 1.910 1.00 34.30 C ATOM 1525 CD LYS A 94 6.225 -11.912 0.932 1.00 43.44 C ATOM 1526 CE LYS A 94 4.996 -12.751 1.270 1.00 52.22 C ATOM 1527 NZ LYS A 94 5.276 -14.210 1.191 1.00 54.21 N ATOM 0 H LYS A 94 9.091 -8.692 -0.094 1.00 14.23 H new ATOM 0 HA LYS A 94 7.485 -9.591 1.174 1.00 60.15 H new ATOM 0 HB2 LYS A 94 8.914 -11.685 0.496 1.00 4.34 H new ATOM 0 HB3 LYS A 94 9.447 -11.676 2.165 1.00 4.34 H new ATOM 0 HG2 LYS A 94 7.597 -13.223 1.950 1.00 34.30 H new ATOM 0 HG3 LYS A 94 7.070 -11.857 2.913 1.00 34.30 H new ATOM 0 HD2 LYS A 94 5.957 -10.856 0.945 1.00 43.44 H new ATOM 0 HD3 LYS A 94 6.555 -12.145 -0.080 1.00 43.44 H new ATOM 0 HE2 LYS A 94 4.652 -12.502 2.274 1.00 52.22 H new ATOM 0 HE3 LYS A 94 4.186 -12.500 0.585 1.00 52.22 H new ATOM 0 HZ1 LYS A 94 4.379 -14.736 1.192 1.00 54.21 H new ATOM 0 HZ2 LYS A 94 5.798 -14.416 0.315 1.00 54.21 H new ATOM 0 HZ3 LYS A 94 5.847 -14.499 2.011 1.00 54.21 H new ATOM 1541 N GLN A 95 8.954 -8.049 3.122 1.00 73.33 N ATOM 1542 CA GLN A 95 9.101 -7.402 4.436 1.00 12.25 C ATOM 1543 C GLN A 95 7.792 -6.757 4.909 1.00 21.34 C ATOM 1544 O GLN A 95 6.853 -6.572 4.132 1.00 4.24 O ATOM 1545 CB GLN A 95 10.208 -6.336 4.383 1.00 23.30 C ATOM 1546 CG GLN A 95 11.608 -6.901 4.171 1.00 14.51 C ATOM 1547 CD GLN A 95 12.097 -7.733 5.345 1.00 61.31 C ATOM 1548 OE1 GLN A 95 12.722 -7.223 6.271 1.00 51.45 O ATOM 1549 NE2 GLN A 95 11.822 -9.018 5.318 1.00 60.34 N ATOM 0 H GLN A 95 9.158 -7.437 2.332 1.00 73.33 H new ATOM 0 HA GLN A 95 9.370 -8.180 5.150 1.00 12.25 H new ATOM 0 HB2 GLN A 95 9.985 -5.636 3.578 1.00 23.30 H new ATOM 0 HB3 GLN A 95 10.194 -5.767 5.313 1.00 23.30 H new ATOM 0 HG2 GLN A 95 11.613 -7.515 3.270 1.00 14.51 H new ATOM 0 HG3 GLN A 95 12.303 -6.079 4.001 1.00 14.51 H new ATOM 0 HE21 GLN A 95 11.301 -9.412 4.535 1.00 60.34 H new ATOM 0 HE22 GLN A 95 12.130 -9.622 6.081 1.00 60.34 H new ATOM 1558 N VAL A 96 7.747 -6.400 6.191 1.00 45.30 N ATOM 1559 CA VAL A 96 6.561 -5.775 6.783 1.00 30.41 C ATOM 1560 C VAL A 96 6.452 -4.279 6.429 1.00 63.43 C ATOM 1561 O VAL A 96 7.461 -3.578 6.298 1.00 35.44 O ATOM 1562 CB VAL A 96 6.556 -5.934 8.326 1.00 44.21 C ATOM 1563 CG1 VAL A 96 6.535 -7.410 8.717 1.00 75.23 C ATOM 1564 CG2 VAL A 96 7.758 -5.229 8.955 1.00 14.42 C ATOM 0 H VAL A 96 8.520 -6.533 6.843 1.00 45.30 H new ATOM 0 HA VAL A 96 5.700 -6.292 6.360 1.00 30.41 H new ATOM 0 HB VAL A 96 5.650 -5.463 8.708 1.00 44.21 H new ATOM 0 HG11 VAL A 96 6.532 -7.499 9.803 1.00 75.23 H new ATOM 0 HG12 VAL A 96 5.639 -7.881 8.312 1.00 75.23 H new ATOM 0 HG13 VAL A 96 7.419 -7.905 8.315 1.00 75.23 H new ATOM 0 HG21 VAL A 96 7.729 -5.357 10.037 1.00 14.42 H new ATOM 0 HG22 VAL A 96 8.679 -5.661 8.563 1.00 14.42 H new ATOM 0 HG23 VAL A 96 7.724 -4.167 8.714 1.00 14.42 H new ATOM 1574 N ILE A 97 5.219 -3.799 6.265 1.00 74.43 N ATOM 1575 CA ILE A 97 4.969 -2.377 6.011 1.00 51.23 C ATOM 1576 C ILE A 97 5.346 -1.524 7.233 1.00 53.03 C ATOM 1577 O ILE A 97 6.202 -0.642 7.154 1.00 14.54 O ATOM 1578 CB ILE A 97 3.483 -2.125 5.644 1.00 3.34 C ATOM 1579 CG1 ILE A 97 3.099 -2.917 4.382 1.00 24.11 C ATOM 1580 CG2 ILE A 97 3.210 -0.633 5.450 1.00 43.52 C ATOM 1581 CD1 ILE A 97 3.927 -2.562 3.159 1.00 21.44 C ATOM 0 H ILE A 97 4.377 -4.373 6.303 1.00 74.43 H new ATOM 0 HA ILE A 97 5.594 -2.086 5.167 1.00 51.23 H new ATOM 0 HB ILE A 97 2.865 -2.473 6.472 1.00 3.34 H new ATOM 0 HG12 ILE A 97 3.208 -3.982 4.586 1.00 24.11 H new ATOM 0 HG13 ILE A 97 2.046 -2.741 4.160 1.00 24.11 H new ATOM 0 HG21 ILE A 97 2.161 -0.485 5.194 1.00 43.52 H new ATOM 0 HG22 ILE A 97 3.437 -0.099 6.373 1.00 43.52 H new ATOM 0 HG23 ILE A 97 3.838 -0.250 4.645 1.00 43.52 H new ATOM 0 HD11 ILE A 97 3.598 -3.161 2.310 1.00 21.44 H new ATOM 0 HD12 ILE A 97 3.800 -1.504 2.928 1.00 21.44 H new ATOM 0 HD13 ILE A 97 4.979 -2.765 3.360 1.00 21.44 H new ATOM 1593 N THR A 98 4.692 -1.792 8.361 1.00 3.14 N ATOM 1594 CA THR A 98 5.032 -1.148 9.638 1.00 1.21 C ATOM 1595 C THR A 98 5.111 -2.195 10.756 1.00 4.15 C ATOM 1596 O THR A 98 4.212 -3.024 10.902 1.00 62.43 O ATOM 1597 CB THR A 98 3.995 -0.065 10.049 1.00 55.23 C ATOM 1598 OG1 THR A 98 2.702 -0.658 10.266 1.00 72.00 O ATOM 1599 CG2 THR A 98 3.880 1.030 8.989 1.00 51.34 C ATOM 0 H THR A 98 3.918 -2.454 8.421 1.00 3.14 H new ATOM 0 HA THR A 98 5.998 -0.664 9.496 1.00 1.21 H new ATOM 0 HB THR A 98 4.348 0.386 10.977 1.00 55.23 H new ATOM 0 HG1 THR A 98 2.206 -0.681 9.421 1.00 72.00 H new ATOM 0 HG21 THR A 98 3.147 1.770 9.309 1.00 51.34 H new ATOM 0 HG22 THR A 98 4.849 1.512 8.857 1.00 51.34 H new ATOM 0 HG23 THR A 98 3.563 0.590 8.044 1.00 51.34 H new ATOM 1607 N LYS A 99 6.189 -2.163 11.541 1.00 2.15 N ATOM 1608 CA LYS A 99 6.352 -3.088 12.676 1.00 0.23 C ATOM 1609 C LYS A 99 5.194 -2.950 13.673 1.00 50.00 C ATOM 1610 O LYS A 99 4.854 -3.898 14.387 1.00 44.53 O ATOM 1611 CB LYS A 99 7.692 -2.853 13.396 1.00 44.21 C ATOM 1612 CG LYS A 99 8.919 -3.353 12.629 1.00 73.42 C ATOM 1613 CD LYS A 99 9.221 -2.514 11.387 1.00 61.40 C ATOM 1614 CE LYS A 99 10.390 -3.079 10.588 1.00 65.34 C ATOM 1615 NZ LYS A 99 11.632 -3.173 11.400 1.00 15.31 N ATOM 0 H LYS A 99 6.963 -1.510 11.417 1.00 2.15 H new ATOM 0 HA LYS A 99 6.346 -4.100 12.272 1.00 0.23 H new ATOM 0 HB2 LYS A 99 7.807 -1.786 13.585 1.00 44.21 H new ATOM 0 HB3 LYS A 99 7.660 -3.347 14.367 1.00 44.21 H new ATOM 0 HG2 LYS A 99 9.785 -3.341 13.290 1.00 73.42 H new ATOM 0 HG3 LYS A 99 8.759 -4.390 12.332 1.00 73.42 H new ATOM 0 HD2 LYS A 99 8.335 -2.472 10.753 1.00 61.40 H new ATOM 0 HD3 LYS A 99 9.447 -1.491 11.687 1.00 61.40 H new ATOM 0 HE2 LYS A 99 10.127 -4.068 10.213 1.00 65.34 H new ATOM 0 HE3 LYS A 99 10.573 -2.447 9.719 1.00 65.34 H new ATOM 0 HZ1 LYS A 99 12.433 -3.416 10.783 1.00 15.31 H new ATOM 0 HZ2 LYS A 99 11.815 -2.259 11.862 1.00 15.31 H new ATOM 0 HZ3 LYS A 99 11.518 -3.910 12.125 1.00 15.31 H new ATOM 1629 N LYS A 100 4.598 -1.757 13.714 1.00 73.30 N ATOM 1630 CA LYS A 100 3.412 -1.502 14.540 1.00 24.43 C ATOM 1631 C LYS A 100 2.296 -2.511 14.230 1.00 34.04 C ATOM 1632 O LYS A 100 1.645 -3.034 15.134 1.00 44.50 O ATOM 1633 CB LYS A 100 2.896 -0.074 14.296 1.00 24.20 C ATOM 1634 CG LYS A 100 3.924 1.019 14.571 1.00 11.24 C ATOM 1635 CD LYS A 100 4.346 1.054 16.041 1.00 23.33 C ATOM 1636 CE LYS A 100 5.315 2.199 16.322 1.00 42.52 C ATOM 1637 NZ LYS A 100 4.718 3.524 16.008 1.00 42.21 N ATOM 0 H LYS A 100 4.918 -0.947 13.183 1.00 73.30 H new ATOM 0 HA LYS A 100 3.700 -1.613 15.586 1.00 24.43 H new ATOM 0 HB2 LYS A 100 2.563 0.008 13.261 1.00 24.20 H new ATOM 0 HB3 LYS A 100 2.023 0.097 14.926 1.00 24.20 H new ATOM 0 HG2 LYS A 100 4.802 0.856 13.946 1.00 11.24 H new ATOM 0 HG3 LYS A 100 3.508 1.987 14.290 1.00 11.24 H new ATOM 0 HD2 LYS A 100 3.463 1.162 16.671 1.00 23.33 H new ATOM 0 HD3 LYS A 100 4.814 0.107 16.308 1.00 23.33 H new ATOM 0 HE2 LYS A 100 5.611 2.174 17.371 1.00 42.52 H new ATOM 0 HE3 LYS A 100 6.221 2.060 15.732 1.00 42.52 H new ATOM 0 HZ1 LYS A 100 5.127 4.246 16.634 1.00 42.21 H new ATOM 0 HZ2 LYS A 100 4.920 3.770 15.018 1.00 42.21 H new ATOM 0 HZ3 LYS A 100 3.689 3.484 16.152 1.00 42.21 H new ATOM 1651 N SER A 101 2.095 -2.788 12.942 1.00 21.24 N ATOM 1652 CA SER A 101 1.059 -3.727 12.493 1.00 71.15 C ATOM 1653 C SER A 101 1.629 -5.140 12.310 1.00 44.52 C ATOM 1654 O SER A 101 1.198 -6.086 12.972 1.00 45.22 O ATOM 1655 CB SER A 101 0.450 -3.250 11.168 1.00 23.11 C ATOM 1656 OG SER A 101 1.432 -3.203 10.138 1.00 62.12 O ATOM 0 H SER A 101 2.638 -2.374 12.184 1.00 21.24 H new ATOM 0 HA SER A 101 0.287 -3.761 13.262 1.00 71.15 H new ATOM 0 HB2 SER A 101 -0.358 -3.920 10.874 1.00 23.11 H new ATOM 0 HB3 SER A 101 0.011 -2.261 11.301 1.00 23.11 H new ATOM 0 HG SER A 101 1.908 -2.347 10.178 1.00 62.12 H new ATOM 1662 N GLY A 102 2.613 -5.269 11.421 1.00 43.20 N ATOM 1663 CA GLY A 102 3.191 -6.572 11.102 1.00 33.14 C ATOM 1664 C GLY A 102 2.634 -7.163 9.809 1.00 20.22 C ATOM 1665 O GLY A 102 2.676 -8.374 9.597 1.00 40.15 O ATOM 0 H GLY A 102 3.025 -4.488 10.910 1.00 43.20 H new ATOM 0 HA2 GLY A 102 4.273 -6.473 11.015 1.00 33.14 H new ATOM 0 HA3 GLY A 102 2.999 -7.261 11.924 1.00 33.14 H new ATOM 1669 N VAL A 103 2.108 -6.298 8.942 1.00 2.12 N ATOM 1670 CA VAL A 103 1.491 -6.733 7.682 1.00 30.22 C ATOM 1671 C VAL A 103 2.519 -6.870 6.542 1.00 72.05 C ATOM 1672 O VAL A 103 3.340 -5.978 6.317 1.00 72.30 O ATOM 1673 CB VAL A 103 0.382 -5.748 7.243 1.00 12.33 C ATOM 1674 CG1 VAL A 103 -0.282 -6.211 5.949 1.00 32.24 C ATOM 1675 CG2 VAL A 103 -0.649 -5.571 8.356 1.00 43.32 C ATOM 0 H VAL A 103 2.095 -5.288 9.087 1.00 2.12 H new ATOM 0 HA VAL A 103 1.060 -7.715 7.875 1.00 30.22 H new ATOM 0 HB VAL A 103 0.844 -4.780 7.050 1.00 12.33 H new ATOM 0 HG11 VAL A 103 -1.058 -5.500 5.663 1.00 32.24 H new ATOM 0 HG12 VAL A 103 0.465 -6.270 5.158 1.00 32.24 H new ATOM 0 HG13 VAL A 103 -0.728 -7.194 6.101 1.00 32.24 H new ATOM 0 HG21 VAL A 103 -1.421 -4.875 8.029 1.00 43.32 H new ATOM 0 HG22 VAL A 103 -1.103 -6.534 8.588 1.00 43.32 H new ATOM 0 HG23 VAL A 103 -0.159 -5.177 9.247 1.00 43.32 H new ATOM 1685 N VAL A 104 2.451 -7.991 5.822 1.00 0.15 N ATOM 1686 CA VAL A 104 3.317 -8.247 4.663 1.00 54.30 C ATOM 1687 C VAL A 104 2.492 -8.282 3.360 1.00 13.21 C ATOM 1688 O VAL A 104 1.306 -8.615 3.376 1.00 51.34 O ATOM 1689 CB VAL A 104 4.084 -9.586 4.828 1.00 51.21 C ATOM 1690 CG1 VAL A 104 5.045 -9.817 3.666 1.00 23.24 C ATOM 1691 CG2 VAL A 104 4.830 -9.617 6.162 1.00 23.20 C ATOM 0 H VAL A 104 1.797 -8.747 6.023 1.00 0.15 H new ATOM 0 HA VAL A 104 4.039 -7.432 4.605 1.00 54.30 H new ATOM 0 HB VAL A 104 3.354 -10.395 4.823 1.00 51.21 H new ATOM 0 HG11 VAL A 104 5.568 -10.762 3.809 1.00 23.24 H new ATOM 0 HG12 VAL A 104 4.485 -9.850 2.732 1.00 23.24 H new ATOM 0 HG13 VAL A 104 5.770 -9.004 3.626 1.00 23.24 H new ATOM 0 HG21 VAL A 104 5.362 -10.563 6.260 1.00 23.20 H new ATOM 0 HG22 VAL A 104 5.544 -8.794 6.199 1.00 23.20 H new ATOM 0 HG23 VAL A 104 4.117 -9.515 6.980 1.00 23.20 H new ATOM 1701 N LEU A 105 3.120 -7.935 2.235 1.00 62.43 N ATOM 1702 CA LEU A 105 2.425 -7.874 0.939 1.00 51.34 C ATOM 1703 C LEU A 105 2.542 -9.193 0.150 1.00 42.41 C ATOM 1704 O LEU A 105 3.642 -9.700 -0.077 1.00 42.44 O ATOM 1705 CB LEU A 105 2.983 -6.718 0.094 1.00 1.41 C ATOM 1706 CG LEU A 105 2.870 -5.318 0.724 1.00 24.52 C ATOM 1707 CD1 LEU A 105 3.454 -4.257 -0.210 1.00 4.40 C ATOM 1708 CD2 LEU A 105 1.416 -4.995 1.071 1.00 1.14 C ATOM 0 H LEU A 105 4.109 -7.691 2.191 1.00 62.43 H new ATOM 0 HA LEU A 105 1.369 -7.706 1.149 1.00 51.34 H new ATOM 0 HB2 LEU A 105 4.034 -6.919 -0.115 1.00 1.41 H new ATOM 0 HB3 LEU A 105 2.464 -6.709 -0.864 1.00 1.41 H new ATOM 0 HG LEU A 105 3.448 -5.313 1.648 1.00 24.52 H new ATOM 0 HD11 LEU A 105 3.364 -3.275 0.254 1.00 4.40 H new ATOM 0 HD12 LEU A 105 4.505 -4.476 -0.397 1.00 4.40 H new ATOM 0 HD13 LEU A 105 2.909 -4.264 -1.154 1.00 4.40 H new ATOM 0 HD21 LEU A 105 1.360 -4.001 1.515 1.00 1.14 H new ATOM 0 HD22 LEU A 105 0.811 -5.022 0.165 1.00 1.14 H new ATOM 0 HD23 LEU A 105 1.039 -5.731 1.781 1.00 1.14 H new ATOM 1720 N LEU A 106 1.397 -9.740 -0.259 1.00 41.24 N ATOM 1721 CA LEU A 106 1.353 -10.932 -1.120 1.00 32.54 C ATOM 1722 C LEU A 106 0.200 -10.833 -2.134 1.00 3.11 C ATOM 1723 O LEU A 106 -0.752 -10.094 -1.909 1.00 41.40 O ATOM 1724 CB LEU A 106 1.231 -12.224 -0.285 1.00 22.50 C ATOM 1725 CG LEU A 106 0.026 -12.317 0.676 1.00 3.41 C ATOM 1726 CD1 LEU A 106 -0.168 -13.754 1.154 1.00 42.30 C ATOM 1727 CD2 LEU A 106 0.202 -11.383 1.875 1.00 24.40 C ATOM 0 H LEU A 106 0.478 -9.376 -0.008 1.00 41.24 H new ATOM 0 HA LEU A 106 2.293 -10.976 -1.670 1.00 32.54 H new ATOM 0 HB2 LEU A 106 1.185 -13.070 -0.971 1.00 22.50 H new ATOM 0 HB3 LEU A 106 2.143 -12.338 0.301 1.00 22.50 H new ATOM 0 HG LEU A 106 -0.862 -12.004 0.127 1.00 3.41 H new ATOM 0 HD11 LEU A 106 -1.022 -13.800 1.830 1.00 42.30 H new ATOM 0 HD12 LEU A 106 -0.349 -14.401 0.296 1.00 42.30 H new ATOM 0 HD13 LEU A 106 0.728 -14.087 1.677 1.00 42.30 H new ATOM 0 HD21 LEU A 106 -0.662 -11.470 2.534 1.00 24.40 H new ATOM 0 HD22 LEU A 106 1.104 -11.658 2.421 1.00 24.40 H new ATOM 0 HD23 LEU A 106 0.289 -10.354 1.525 1.00 24.40 H new ATOM 1739 N ASN A 107 0.306 -11.585 -3.242 1.00 63.03 N ATOM 1740 CA ASN A 107 -0.691 -11.592 -4.345 1.00 34.12 C ATOM 1741 C ASN A 107 -1.451 -10.250 -4.539 1.00 12.15 C ATOM 1742 O ASN A 107 -2.511 -10.025 -3.948 1.00 31.14 O ATOM 1743 CB ASN A 107 -1.673 -12.782 -4.213 1.00 54.04 C ATOM 1744 CG ASN A 107 -2.249 -13.014 -2.815 1.00 41.41 C ATOM 1745 OD1 ASN A 107 -2.467 -14.153 -2.413 1.00 65.23 O ATOM 1746 ND2 ASN A 107 -2.537 -11.965 -2.076 1.00 4.52 N ATOM 0 H ASN A 107 1.092 -12.214 -3.406 1.00 63.03 H new ATOM 0 HA ASN A 107 -0.105 -11.721 -5.255 1.00 34.12 H new ATOM 0 HB2 ASN A 107 -2.500 -12.625 -4.905 1.00 54.04 H new ATOM 0 HB3 ASN A 107 -1.160 -13.690 -4.530 1.00 54.04 H new ATOM 0 HD21 ASN A 107 -2.949 -12.090 -1.151 1.00 4.52 H new ATOM 0 HD22 ASN A 107 -2.348 -11.026 -2.428 1.00 4.52 H new ATOM 1753 N PRO A 108 -0.921 -9.352 -5.403 1.00 32.34 N ATOM 1754 CA PRO A 108 -1.519 -8.021 -5.645 1.00 63.44 C ATOM 1755 C PRO A 108 -2.819 -8.068 -6.472 1.00 52.31 C ATOM 1756 O PRO A 108 -2.999 -8.938 -7.328 1.00 61.25 O ATOM 1757 CB PRO A 108 -0.418 -7.284 -6.420 1.00 24.15 C ATOM 1758 CG PRO A 108 0.319 -8.365 -7.134 1.00 32.51 C ATOM 1759 CD PRO A 108 0.297 -9.561 -6.215 1.00 42.12 C ATOM 0 HA PRO A 108 -1.815 -7.542 -4.712 1.00 63.44 H new ATOM 0 HB2 PRO A 108 -0.839 -6.562 -7.119 1.00 24.15 H new ATOM 0 HB3 PRO A 108 0.239 -6.732 -5.748 1.00 24.15 H new ATOM 0 HG2 PRO A 108 -0.156 -8.597 -8.087 1.00 32.51 H new ATOM 0 HG3 PRO A 108 1.342 -8.060 -7.353 1.00 32.51 H new ATOM 0 HD2 PRO A 108 0.251 -10.496 -6.774 1.00 42.12 H new ATOM 0 HD3 PRO A 108 1.191 -9.605 -5.593 1.00 42.12 H new ATOM 1767 N ILE A 109 -3.716 -7.117 -6.217 1.00 71.03 N ATOM 1768 CA ILE A 109 -4.992 -7.037 -6.940 1.00 3.11 C ATOM 1769 C ILE A 109 -4.886 -6.103 -8.158 1.00 51.11 C ATOM 1770 O ILE A 109 -4.559 -4.925 -8.008 1.00 31.53 O ATOM 1771 CB ILE A 109 -6.126 -6.527 -6.009 1.00 51.43 C ATOM 1772 CG1 ILE A 109 -6.247 -7.428 -4.770 1.00 63.11 C ATOM 1773 CG2 ILE A 109 -7.457 -6.454 -6.760 1.00 22.33 C ATOM 1774 CD1 ILE A 109 -6.533 -8.880 -5.095 1.00 32.22 C ATOM 0 H ILE A 109 -3.586 -6.389 -5.515 1.00 71.03 H new ATOM 0 HA ILE A 109 -5.229 -8.044 -7.283 1.00 3.11 H new ATOM 0 HB ILE A 109 -5.872 -5.520 -5.679 1.00 51.43 H new ATOM 0 HG12 ILE A 109 -5.321 -7.369 -4.198 1.00 63.11 H new ATOM 0 HG13 ILE A 109 -7.042 -7.045 -4.130 1.00 63.11 H new ATOM 0 HG21 ILE A 109 -8.235 -6.094 -6.087 1.00 22.33 H new ATOM 0 HG22 ILE A 109 -7.362 -5.770 -7.603 1.00 22.33 H new ATOM 0 HG23 ILE A 109 -7.723 -7.446 -7.126 1.00 22.33 H new ATOM 0 HD11 ILE A 109 -6.604 -9.453 -4.170 1.00 32.22 H new ATOM 0 HD12 ILE A 109 -7.474 -8.952 -5.640 1.00 32.22 H new ATOM 0 HD13 ILE A 109 -5.726 -9.281 -5.709 1.00 32.22 H new ATOM 1786 N PRO A 110 -5.161 -6.614 -9.378 1.00 70.24 N ATOM 1787 CA PRO A 110 -5.120 -5.806 -10.617 1.00 61.00 C ATOM 1788 C PRO A 110 -6.030 -4.564 -10.557 1.00 75.30 C ATOM 1789 O PRO A 110 -7.121 -4.609 -9.988 1.00 10.21 O ATOM 1790 CB PRO A 110 -5.608 -6.782 -11.697 1.00 33.12 C ATOM 1791 CG PRO A 110 -5.326 -8.137 -11.142 1.00 74.12 C ATOM 1792 CD PRO A 110 -5.521 -8.018 -9.655 1.00 61.41 C ATOM 0 HA PRO A 110 -4.123 -5.406 -10.801 1.00 61.00 H new ATOM 0 HB2 PRO A 110 -6.671 -6.650 -11.898 1.00 33.12 H new ATOM 0 HB3 PRO A 110 -5.084 -6.624 -12.639 1.00 33.12 H new ATOM 0 HG2 PRO A 110 -5.999 -8.882 -11.567 1.00 74.12 H new ATOM 0 HG3 PRO A 110 -4.310 -8.453 -11.379 1.00 74.12 H new ATOM 0 HD2 PRO A 110 -6.549 -8.235 -9.365 1.00 61.41 H new ATOM 0 HD3 PRO A 110 -4.883 -8.712 -9.109 1.00 61.41 H new ATOM 1800 N LYS A 111 -5.575 -3.460 -11.157 1.00 35.01 N ATOM 1801 CA LYS A 111 -6.285 -2.173 -11.071 1.00 41.02 C ATOM 1802 C LYS A 111 -7.621 -2.171 -11.832 1.00 54.22 C ATOM 1803 O LYS A 111 -7.906 -3.062 -12.638 1.00 0.24 O ATOM 1804 CB LYS A 111 -5.400 -1.019 -11.584 1.00 63.32 C ATOM 1805 CG LYS A 111 -5.210 -0.961 -13.104 1.00 72.43 C ATOM 1806 CD LYS A 111 -4.344 -2.101 -13.631 1.00 1.14 C ATOM 1807 CE LYS A 111 -4.075 -1.971 -15.122 1.00 1.43 C ATOM 1808 NZ LYS A 111 -3.214 -3.074 -15.625 1.00 5.25 N ATOM 0 H LYS A 111 -4.718 -3.428 -11.709 1.00 35.01 H new ATOM 0 HA LYS A 111 -6.508 -2.025 -10.014 1.00 41.02 H new ATOM 0 HB2 LYS A 111 -5.835 -0.076 -11.253 1.00 63.32 H new ATOM 0 HB3 LYS A 111 -4.419 -1.100 -11.115 1.00 63.32 H new ATOM 0 HG2 LYS A 111 -6.185 -0.996 -13.590 1.00 72.43 H new ATOM 0 HG3 LYS A 111 -4.754 -0.009 -13.373 1.00 72.43 H new ATOM 0 HD2 LYS A 111 -3.397 -2.116 -13.092 1.00 1.14 H new ATOM 0 HD3 LYS A 111 -4.838 -3.052 -13.433 1.00 1.14 H new ATOM 0 HE2 LYS A 111 -5.021 -1.972 -15.664 1.00 1.43 H new ATOM 0 HE3 LYS A 111 -3.594 -1.014 -15.323 1.00 1.43 H new ATOM 0 HZ1 LYS A 111 -2.456 -2.680 -16.218 1.00 5.25 H new ATOM 0 HZ2 LYS A 111 -2.795 -3.582 -14.820 1.00 5.25 H new ATOM 0 HZ3 LYS A 111 -3.788 -3.733 -16.189 1.00 5.25 H new ATOM 1822 N ASP A 112 -8.434 -1.152 -11.563 1.00 33.43 N ATOM 1823 CA ASP A 112 -9.726 -0.979 -12.228 1.00 2.20 C ATOM 1824 C ASP A 112 -9.634 0.014 -13.397 1.00 42.45 C ATOM 1825 O ASP A 112 -8.868 0.979 -13.354 1.00 61.13 O ATOM 1826 CB ASP A 112 -10.768 -0.462 -11.228 1.00 52.42 C ATOM 1827 CG ASP A 112 -11.006 -1.424 -10.084 1.00 51.35 C ATOM 1828 OD1 ASP A 112 -10.247 -1.367 -9.094 1.00 21.44 O ATOM 1829 OD2 ASP A 112 -11.958 -2.229 -10.165 1.00 61.14 O ATOM 0 H ASP A 112 -8.218 -0.425 -10.881 1.00 33.43 H new ATOM 0 HA ASP A 112 -10.023 -1.953 -12.617 1.00 2.20 H new ATOM 0 HB2 ASP A 112 -10.438 0.497 -10.828 1.00 52.42 H new ATOM 0 HB3 ASP A 112 -11.709 -0.283 -11.749 1.00 52.42 H new ATOM 1834 N LYS A 113 -10.418 -0.233 -14.442 1.00 54.43 N ATOM 1835 CA LYS A 113 -10.635 0.758 -15.501 1.00 10.12 C ATOM 1836 C LYS A 113 -11.902 1.572 -15.190 1.00 70.20 C ATOM 1837 O LYS A 113 -12.417 2.306 -16.034 1.00 42.43 O ATOM 1838 CB LYS A 113 -10.755 0.070 -16.870 1.00 75.41 C ATOM 1839 CG LYS A 113 -9.535 -0.769 -17.250 1.00 5.32 C ATOM 1840 CD LYS A 113 -8.241 0.044 -17.208 1.00 32.41 C ATOM 1841 CE LYS A 113 -8.273 1.235 -18.163 1.00 44.41 C ATOM 1842 NZ LYS A 113 -7.023 2.036 -18.092 1.00 31.32 N ATOM 0 H LYS A 113 -10.916 -1.112 -14.582 1.00 54.43 H new ATOM 0 HA LYS A 113 -9.779 1.432 -15.539 1.00 10.12 H new ATOM 0 HB2 LYS A 113 -11.638 -0.570 -16.868 1.00 75.41 H new ATOM 0 HB3 LYS A 113 -10.914 0.830 -17.635 1.00 75.41 H new ATOM 0 HG2 LYS A 113 -9.452 -1.616 -16.569 1.00 5.32 H new ATOM 0 HG3 LYS A 113 -9.674 -1.177 -18.251 1.00 5.32 H new ATOM 0 HD2 LYS A 113 -8.071 0.400 -16.192 1.00 32.41 H new ATOM 0 HD3 LYS A 113 -7.401 -0.601 -17.464 1.00 32.41 H new ATOM 0 HE2 LYS A 113 -8.418 0.879 -19.183 1.00 44.41 H new ATOM 0 HE3 LYS A 113 -9.125 1.870 -17.923 1.00 44.41 H new ATOM 0 HZ1 LYS A 113 -7.084 2.835 -18.755 1.00 31.32 H new ATOM 0 HZ2 LYS A 113 -6.897 2.397 -17.125 1.00 31.32 H new ATOM 0 HZ3 LYS A 113 -6.212 1.437 -18.346 1.00 31.32 H new ATOM 1856 N LYS A 114 -12.371 1.432 -13.948 1.00 4.23 N ATOM 1857 CA LYS A 114 -13.580 2.092 -13.448 1.00 60.03 C ATOM 1858 C LYS A 114 -13.576 3.604 -13.730 1.00 5.53 C ATOM 1859 O LYS A 114 -12.523 4.242 -13.758 1.00 44.20 O ATOM 1860 CB LYS A 114 -13.690 1.829 -11.942 1.00 43.34 C ATOM 1861 CG LYS A 114 -14.938 2.402 -11.283 1.00 14.33 C ATOM 1862 CD LYS A 114 -15.037 1.981 -9.819 1.00 3.30 C ATOM 1863 CE LYS A 114 -15.133 0.463 -9.671 1.00 13.25 C ATOM 1864 NZ LYS A 114 -15.245 0.037 -8.250 1.00 72.41 N ATOM 0 H LYS A 114 -11.914 0.847 -13.249 1.00 4.23 H new ATOM 0 HA LYS A 114 -14.443 1.680 -13.971 1.00 60.03 H new ATOM 0 HB2 LYS A 114 -13.669 0.752 -11.773 1.00 43.34 H new ATOM 0 HB3 LYS A 114 -12.812 2.246 -11.449 1.00 43.34 H new ATOM 0 HG2 LYS A 114 -14.920 3.490 -11.350 1.00 14.33 H new ATOM 0 HG3 LYS A 114 -15.824 2.064 -11.821 1.00 14.33 H new ATOM 0 HD2 LYS A 114 -14.165 2.345 -9.276 1.00 3.30 H new ATOM 0 HD3 LYS A 114 -15.912 2.447 -9.365 1.00 3.30 H new ATOM 0 HE2 LYS A 114 -15.999 0.101 -10.225 1.00 13.25 H new ATOM 0 HE3 LYS A 114 -14.253 0.001 -10.118 1.00 13.25 H new ATOM 0 HZ1 LYS A 114 -15.747 -0.872 -8.199 1.00 72.41 H new ATOM 0 HZ2 LYS A 114 -14.294 -0.069 -7.843 1.00 72.41 H new ATOM 0 HZ3 LYS A 114 -15.773 0.754 -7.713 1.00 72.41 H new ATOM 1878 N TRP A 115 -14.765 4.172 -13.925 1.00 52.54 N ATOM 1879 CA TRP A 115 -14.894 5.587 -14.288 1.00 33.05 C ATOM 1880 C TRP A 115 -14.692 6.502 -13.068 1.00 23.35 C ATOM 1881 O TRP A 115 -15.628 7.141 -12.585 1.00 73.21 O ATOM 1882 CB TRP A 115 -16.262 5.846 -14.935 1.00 51.10 C ATOM 1883 CG TRP A 115 -16.641 4.815 -15.963 1.00 75.42 C ATOM 1884 CD1 TRP A 115 -17.798 4.092 -16.010 1.00 51.35 C ATOM 1885 CD2 TRP A 115 -15.848 4.371 -17.073 1.00 74.33 C ATOM 1886 NE1 TRP A 115 -17.777 3.240 -17.084 1.00 1.23 N ATOM 1887 CE2 TRP A 115 -16.594 3.388 -17.750 1.00 51.52 C ATOM 1888 CE3 TRP A 115 -14.583 4.708 -17.565 1.00 73.30 C ATOM 1889 CZ2 TRP A 115 -16.121 2.744 -18.887 1.00 11.43 C ATOM 1890 CZ3 TRP A 115 -14.115 4.066 -18.696 1.00 55.25 C ATOM 1891 CH2 TRP A 115 -14.882 3.091 -19.345 1.00 12.40 C ATOM 0 H TRP A 115 -15.653 3.677 -13.839 1.00 52.54 H new ATOM 0 HA TRP A 115 -14.111 5.822 -15.009 1.00 33.05 H new ATOM 0 HB2 TRP A 115 -17.025 5.870 -14.157 1.00 51.10 H new ATOM 0 HB3 TRP A 115 -16.254 6.830 -15.404 1.00 51.10 H new ATOM 0 HD1 TRP A 115 -18.611 4.178 -15.304 1.00 51.35 H new ATOM 0 HE1 TRP A 115 -18.526 2.598 -17.344 1.00 1.23 H new ATOM 0 HE3 TRP A 115 -13.982 5.457 -17.070 1.00 73.30 H new ATOM 0 HZ2 TRP A 115 -16.713 1.995 -19.391 1.00 11.43 H new ATOM 0 HZ3 TRP A 115 -13.141 4.321 -19.086 1.00 55.25 H new ATOM 0 HH2 TRP A 115 -14.487 2.604 -20.224 1.00 12.40 H new ATOM 1902 N ILE A 116 -13.458 6.549 -12.576 1.00 13.01 N ATOM 1903 CA ILE A 116 -13.102 7.365 -11.407 1.00 34.52 C ATOM 1904 C ILE A 116 -11.955 8.350 -11.717 1.00 1.23 C ATOM 1905 O ILE A 116 -11.071 8.019 -12.547 1.00 37.94 O ATOM 1906 CB ILE A 116 -12.753 6.475 -10.170 1.00 23.33 C ATOM 1907 CG1 ILE A 116 -11.833 5.289 -10.543 1.00 32.11 C ATOM 1908 CG2 ILE A 116 -14.033 5.961 -9.505 1.00 74.53 C ATOM 1909 CD1 ILE A 116 -10.362 5.637 -10.657 1.00 51.12 C ATOM 1910 OXT ILE A 116 -11.954 9.461 -11.137 1.00 37.94 O ATOM 0 H ILE A 116 -12.675 6.027 -12.970 1.00 13.01 H new ATOM 0 HA ILE A 116 -13.983 7.957 -11.157 1.00 34.52 H new ATOM 0 HB ILE A 116 -12.207 7.103 -9.466 1.00 23.33 H new ATOM 0 HG12 ILE A 116 -11.950 4.507 -9.793 1.00 32.11 H new ATOM 0 HG13 ILE A 116 -12.168 4.872 -11.493 1.00 32.11 H new ATOM 0 HG21 ILE A 116 -13.774 5.343 -8.645 1.00 74.53 H new ATOM 0 HG22 ILE A 116 -14.636 6.807 -9.175 1.00 74.53 H new ATOM 0 HG23 ILE A 116 -14.602 5.367 -10.221 1.00 74.53 H new ATOM 0 HD11 ILE A 116 -9.796 4.744 -10.922 1.00 51.12 H new ATOM 0 HD12 ILE A 116 -10.226 6.395 -11.429 1.00 51.12 H new ATOM 0 HD13 ILE A 116 -10.004 6.023 -9.703 1.00 51.12 H new TER 1922 ILE A 116