USER MOD reduce.3.24.130724 H: found=0, std=0, add=1099, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 1092 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 82 THR OG1 : rot 137:sc= -2.86! USER MOD Set 1.2: A 89 LYS NZ :NH3+ 154:sc= 1.04 (180deg=0) USER MOD Set 2.1: A 13 GLN : amide:sc= 0.142 K(o=0.43,f=-6.5!) USER MOD Set 2.2: A 74 LYS NZ :NH3+ -143:sc= 0.284 (180deg=0) USER MOD Set 3.1: A 11 MET CE :methyl 154:sc= -4.11! (180deg=-6.08!) USER MOD Set 3.2: A 121 HIS : no HD1:sc= -5.61! C(o=-9.7!,f=-12!) USER MOD Set 4.1: A 1 MET N :NH3+ 129:sc= 0.0602 (180deg=-0.578) USER MOD Set 4.2: A 2 GLN : amide:sc= -1.97 K(o=-1.9,f=-3.5!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= -0.348 K(o=-0.35,f=-3!) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 MET CE :methyl -140:sc= 0 (180deg=-0.673) USER MOD Single : A 20 GLN : amide:sc=-0.00705 X(o=-0.007,f=0) USER MOD Single : A 22 LYS NZ :NH3+ 173:sc= -0.332 (180deg=-0.378) USER MOD Single : A 23 ASN : amide:sc= -0.0232 X(o=-0.023,f=0) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc=-0.00109 X(o=-0.0011,f=-0.23) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -1.26 K(o=-1.3,f=-4.5!) USER MOD Single : A 46 SER OG : rot 180:sc= -0.469 USER MOD Single : A 49 SER OG : rot 170:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -0.0608 X(o=-0.061,f=-0.28) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 170:sc= -1.77! USER MOD Single : A 60 ASN : amide:sc= -1.47 K(o=-1.5,f=-3.4!) USER MOD Single : A 61 THR OG1 : rot 58:sc= 0.805 USER MOD Single : A 63 ASN : amide:sc= -0.386 K(o=-0.39,f=-2.1!) USER MOD Single : A 64 ASN : amide:sc= -11.6! C(o=-12!,f=-20!) USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 SER OG : rot -120:sc= -0.0249 USER MOD Single : A 73 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0129) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 83 ASN : amide:sc= -1.53 K(o=-1.5,f=-4.9!) USER MOD Single : A 88 GLN : amide:sc= -0.365 K(o=-0.37,f=-3.1!) USER MOD Single : A 90 HIS : no HD1:sc= -2.32! K(o=-2.3!,f=-0.88) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0.0624 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 GLN : amide:sc= -2.82! C(o=-2.8!,f=-3!) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 MET CE :methyl -105:sc= -0.132 (180deg=-3.01!) USER MOD Single : A 122 GLN : amide:sc= -2.61! K(o=-2.6!,f=-0.46) USER MOD Single : A 123 HIS : no HD1:sc= -1.06 K(o=-1.1,f=-1.7) USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 128 THR OG1 : rot 36:sc= 1.13 USER MOD Single : A 129 HIS : no HD1:sc= -0.03 X(o=-0.03,f=-0.25) USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.440 -0.189 22.187 1.00 0.00 N ATOM 2 CA MET A 1 -3.701 0.428 20.898 1.00 0.00 C ATOM 3 C MET A 1 -5.154 0.895 20.797 1.00 0.00 C ATOM 4 O MET A 1 -6.055 0.257 21.340 1.00 0.00 O ATOM 5 CB MET A 1 -3.410 -0.579 19.783 1.00 0.00 C ATOM 6 CG MET A 1 -4.187 -1.879 20.001 1.00 0.00 C ATOM 7 SD MET A 1 -3.068 -3.186 20.475 1.00 0.00 S ATOM 8 CE MET A 1 -4.105 -4.607 20.171 1.00 0.00 C ATOM 0 H1 MET A 1 -2.991 -1.116 22.044 1.00 0.00 H new ATOM 0 H2 MET A 1 -2.806 0.421 22.742 1.00 0.00 H new ATOM 0 H3 MET A 1 -4.336 -0.314 22.700 1.00 0.00 H new ATOM 0 HA MET A 1 -3.052 1.298 20.794 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.680 -0.147 18.819 1.00 0.00 H new ATOM 0 HB3 MET A 1 -2.341 -0.791 19.750 1.00 0.00 H new ATOM 0 HG2 MET A 1 -4.941 -1.736 20.775 1.00 0.00 H new ATOM 0 HG3 MET A 1 -4.715 -2.154 19.088 1.00 0.00 H new ATOM 0 HE1 MET A 1 -3.557 -5.517 20.417 1.00 0.00 H new ATOM 0 HE2 MET A 1 -5.000 -4.544 20.790 1.00 0.00 H new ATOM 0 HE3 MET A 1 -4.392 -4.630 19.120 1.00 0.00 H new ATOM 18 N GLN A 2 -5.338 2.007 20.099 1.00 0.00 N ATOM 19 CA GLN A 2 -6.666 2.567 19.921 1.00 0.00 C ATOM 20 C GLN A 2 -6.785 3.223 18.543 1.00 0.00 C ATOM 21 O GLN A 2 -5.783 3.632 17.958 1.00 0.00 O ATOM 22 CB GLN A 2 -6.994 3.565 21.033 1.00 0.00 C ATOM 23 CG GLN A 2 -7.134 2.857 22.381 1.00 0.00 C ATOM 24 CD GLN A 2 -5.782 2.754 23.090 1.00 0.00 C ATOM 25 OE1 GLN A 2 -4.881 3.549 22.882 1.00 0.00 O ATOM 26 NE2 GLN A 2 -5.692 1.732 23.937 1.00 0.00 N ATOM 0 H GLN A 2 -4.589 2.534 19.650 1.00 0.00 H new ATOM 0 HA GLN A 2 -7.392 1.756 19.980 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -6.209 4.318 21.094 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -7.920 4.088 20.795 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -7.838 3.402 23.010 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -7.547 1.859 22.231 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -6.485 1.103 24.064 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -4.830 1.577 24.459 1.00 0.00 H new ATOM 35 N GLY A 3 -8.018 3.303 18.065 1.00 0.00 N ATOM 36 CA GLY A 3 -8.281 3.902 16.768 1.00 0.00 C ATOM 37 C GLY A 3 -9.639 4.605 16.753 1.00 0.00 C ATOM 38 O GLY A 3 -10.588 4.143 17.385 1.00 0.00 O ATOM 0 H GLY A 3 -8.846 2.963 18.553 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -7.495 4.618 16.528 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -8.258 3.132 15.997 1.00 0.00 H new ATOM 42 N GLN A 4 -9.690 5.710 16.025 1.00 0.00 N ATOM 43 CA GLN A 4 -10.917 6.482 15.920 1.00 0.00 C ATOM 44 C GLN A 4 -11.037 7.101 14.526 1.00 0.00 C ATOM 45 O GLN A 4 -11.918 6.731 13.752 1.00 0.00 O ATOM 46 CB GLN A 4 -10.983 7.558 17.005 1.00 0.00 C ATOM 47 CG GLN A 4 -11.853 7.101 18.178 1.00 0.00 C ATOM 48 CD GLN A 4 -11.012 6.909 19.442 1.00 0.00 C ATOM 49 OE1 GLN A 4 -9.802 7.062 19.443 1.00 0.00 O ATOM 50 NE2 GLN A 4 -11.719 6.565 20.515 1.00 0.00 N ATOM 0 H GLN A 4 -8.901 6.090 15.502 1.00 0.00 H new ATOM 0 HA GLN A 4 -11.761 5.808 16.071 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -9.977 7.784 17.360 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -11.387 8.479 16.585 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -12.634 7.838 18.365 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -12.352 6.166 17.923 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -12.730 6.454 20.445 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -11.250 6.413 21.408 1.00 0.00 H new ATOM 59 N ASP A 5 -10.137 8.034 14.248 1.00 0.00 N ATOM 60 CA ASP A 5 -10.131 8.708 12.961 1.00 0.00 C ATOM 61 C ASP A 5 -10.317 7.675 11.848 1.00 0.00 C ATOM 62 O ASP A 5 -10.079 6.485 12.054 1.00 0.00 O ATOM 63 CB ASP A 5 -8.802 9.426 12.722 1.00 0.00 C ATOM 64 CG ASP A 5 -8.735 10.858 13.256 1.00 0.00 C ATOM 65 OD1 ASP A 5 -9.117 11.768 12.489 1.00 0.00 O ATOM 66 OD2 ASP A 5 -8.305 11.011 14.420 1.00 0.00 O ATOM 0 H ASP A 5 -9.407 8.339 14.892 1.00 0.00 H new ATOM 0 HA ASP A 5 -10.941 9.438 12.959 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -8.004 8.844 13.184 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -8.604 9.444 11.650 1.00 0.00 H new ATOM 71 N ARG A 6 -10.741 8.166 10.693 1.00 0.00 N ATOM 72 CA ARG A 6 -10.961 7.300 9.547 1.00 0.00 C ATOM 73 C ARG A 6 -9.648 7.069 8.796 1.00 0.00 C ATOM 74 O ARG A 6 -9.498 6.069 8.096 1.00 0.00 O ATOM 75 CB ARG A 6 -11.989 7.905 8.589 1.00 0.00 C ATOM 76 CG ARG A 6 -13.180 6.965 8.398 1.00 0.00 C ATOM 77 CD ARG A 6 -14.261 7.227 9.448 1.00 0.00 C ATOM 78 NE ARG A 6 -14.304 6.111 10.419 1.00 0.00 N ATOM 79 CZ ARG A 6 -14.591 4.843 10.094 1.00 0.00 C ATOM 80 NH1 ARG A 6 -14.862 4.523 8.822 1.00 0.00 N ATOM 81 NH2 ARG A 6 -14.608 3.896 11.042 1.00 0.00 N ATOM 0 H ARG A 6 -10.938 9.153 10.526 1.00 0.00 H new ATOM 0 HA ARG A 6 -11.343 6.349 9.919 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -12.335 8.862 8.979 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -11.520 8.104 7.625 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -13.597 7.100 7.400 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -12.845 5.930 8.466 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -14.056 8.164 9.967 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -15.231 7.336 8.964 1.00 0.00 H new ATOM 0 HE ARG A 6 -14.103 6.320 11.397 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -14.850 5.244 8.101 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -15.080 3.558 8.574 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -14.403 4.140 12.011 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -14.826 2.931 10.795 1.00 0.00 H new ATOM 95 N HIS A 7 -8.732 8.010 8.968 1.00 0.00 N ATOM 96 CA HIS A 7 -7.437 7.922 8.315 1.00 0.00 C ATOM 97 C HIS A 7 -6.502 7.043 9.147 1.00 0.00 C ATOM 98 O HIS A 7 -5.885 6.116 8.623 1.00 0.00 O ATOM 99 CB HIS A 7 -6.864 9.316 8.053 1.00 0.00 C ATOM 100 CG HIS A 7 -7.815 10.248 7.342 1.00 0.00 C ATOM 101 ND1 HIS A 7 -8.516 9.880 6.207 1.00 0.00 N ATOM 102 CD2 HIS A 7 -8.174 11.535 7.616 1.00 0.00 C ATOM 103 CE1 HIS A 7 -9.260 10.907 5.823 1.00 0.00 C ATOM 104 NE2 HIS A 7 -9.046 11.932 6.698 1.00 0.00 N ATOM 0 H HIS A 7 -8.861 8.838 9.550 1.00 0.00 H new ATOM 0 HA HIS A 7 -7.549 7.450 7.339 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -6.576 9.764 9.004 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -5.955 9.218 7.459 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -7.810 12.130 8.440 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -9.920 10.929 4.968 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -9.484 12.852 6.654 1.00 0.00 H new ATOM 112 N MET A 8 -6.426 7.364 10.430 1.00 0.00 N ATOM 113 CA MET A 8 -5.576 6.615 11.340 1.00 0.00 C ATOM 114 C MET A 8 -5.818 5.110 11.203 1.00 0.00 C ATOM 115 O MET A 8 -4.870 4.326 11.166 1.00 0.00 O ATOM 116 CB MET A 8 -5.861 7.049 12.779 1.00 0.00 C ATOM 117 CG MET A 8 -5.047 6.218 13.774 1.00 0.00 C ATOM 118 SD MET A 8 -4.515 7.244 15.134 1.00 0.00 S ATOM 119 CE MET A 8 -6.022 7.298 16.089 1.00 0.00 C ATOM 0 H MET A 8 -6.939 8.133 10.861 1.00 0.00 H new ATOM 0 HA MET A 8 -4.536 6.821 11.088 1.00 0.00 H new ATOM 0 HB2 MET A 8 -5.620 8.105 12.899 1.00 0.00 H new ATOM 0 HB3 MET A 8 -6.924 6.939 12.992 1.00 0.00 H new ATOM 0 HG2 MET A 8 -5.649 5.389 14.147 1.00 0.00 H new ATOM 0 HG3 MET A 8 -4.181 5.784 13.275 1.00 0.00 H new ATOM 0 HE1 MET A 8 -6.165 8.303 16.487 1.00 0.00 H new ATOM 0 HE2 MET A 8 -6.866 7.037 15.451 1.00 0.00 H new ATOM 0 HE3 MET A 8 -5.956 6.587 16.913 1.00 0.00 H new ATOM 129 N ILE A 9 -7.091 4.752 11.130 1.00 0.00 N ATOM 130 CA ILE A 9 -7.469 3.356 10.998 1.00 0.00 C ATOM 131 C ILE A 9 -7.102 2.863 9.597 1.00 0.00 C ATOM 132 O ILE A 9 -6.574 1.763 9.440 1.00 0.00 O ATOM 133 CB ILE A 9 -8.946 3.165 11.349 1.00 0.00 C ATOM 134 CG1 ILE A 9 -9.845 3.924 10.372 1.00 0.00 C ATOM 135 CG2 ILE A 9 -9.219 3.558 12.803 1.00 0.00 C ATOM 136 CD1 ILE A 9 -10.187 3.059 9.156 1.00 0.00 C ATOM 0 H ILE A 9 -7.874 5.405 11.160 1.00 0.00 H new ATOM 0 HA ILE A 9 -6.914 2.743 11.708 1.00 0.00 H new ATOM 0 HB ILE A 9 -9.186 2.106 11.251 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -10.762 4.227 10.877 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -9.345 4.836 10.045 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -10.276 3.413 13.027 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -8.619 2.936 13.467 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -8.957 4.605 12.952 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -10.827 3.622 8.477 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -9.269 2.778 8.640 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -10.709 2.160 9.484 1.00 0.00 H new ATOM 148 N ARG A 10 -7.397 3.701 8.613 1.00 0.00 N ATOM 149 CA ARG A 10 -7.105 3.364 7.230 1.00 0.00 C ATOM 150 C ARG A 10 -5.696 2.778 7.113 1.00 0.00 C ATOM 151 O ARG A 10 -5.484 1.801 6.398 1.00 0.00 O ATOM 152 CB ARG A 10 -7.214 4.595 6.329 1.00 0.00 C ATOM 153 CG ARG A 10 -6.912 4.237 4.873 1.00 0.00 C ATOM 154 CD ARG A 10 -5.977 5.268 4.237 1.00 0.00 C ATOM 155 NE ARG A 10 -6.762 6.411 3.718 1.00 0.00 N ATOM 156 CZ ARG A 10 -6.219 7.517 3.190 1.00 0.00 C ATOM 157 NH1 ARG A 10 -4.887 7.636 3.108 1.00 0.00 N ATOM 158 NH2 ARG A 10 -7.009 8.503 2.744 1.00 0.00 N ATOM 0 H ARG A 10 -7.835 4.612 8.747 1.00 0.00 H new ATOM 0 HA ARG A 10 -7.838 2.625 6.907 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -8.216 5.017 6.403 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -6.519 5.362 6.670 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -6.455 3.248 4.825 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -7.842 4.186 4.307 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -5.253 5.618 4.973 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -5.411 4.807 3.427 1.00 0.00 H new ATOM 0 HE ARG A 10 -7.779 6.353 3.765 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -4.286 6.885 3.447 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -4.474 8.478 2.706 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -8.023 8.412 2.806 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -6.596 9.345 2.342 1.00 0.00 H new ATOM 172 N MET A 11 -4.770 3.401 7.827 1.00 0.00 N ATOM 173 CA MET A 11 -3.387 2.954 7.812 1.00 0.00 C ATOM 174 C MET A 11 -3.277 1.497 8.265 1.00 0.00 C ATOM 175 O MET A 11 -2.904 0.626 7.481 1.00 0.00 O ATOM 176 CB MET A 11 -2.553 3.842 8.738 1.00 0.00 C ATOM 177 CG MET A 11 -2.658 5.312 8.329 1.00 0.00 C ATOM 178 SD MET A 11 -2.383 6.361 9.747 1.00 0.00 S ATOM 179 CE MET A 11 -0.819 5.713 10.313 1.00 0.00 C ATOM 0 H MET A 11 -4.950 4.211 8.420 1.00 0.00 H new ATOM 0 HA MET A 11 -3.012 3.026 6.791 1.00 0.00 H new ATOM 0 HB2 MET A 11 -2.893 3.722 9.767 1.00 0.00 H new ATOM 0 HB3 MET A 11 -1.510 3.526 8.708 1.00 0.00 H new ATOM 0 HG2 MET A 11 -1.925 5.535 7.553 1.00 0.00 H new ATOM 0 HG3 MET A 11 -3.642 5.511 7.905 1.00 0.00 H new ATOM 0 HE1 MET A 11 -0.281 6.487 10.861 1.00 0.00 H new ATOM 0 HE2 MET A 11 -0.994 4.860 10.969 1.00 0.00 H new ATOM 0 HE3 MET A 11 -0.225 5.396 9.456 1.00 0.00 H new ATOM 189 N ARG A 12 -3.609 1.277 9.529 1.00 0.00 N ATOM 190 CA ARG A 12 -3.552 -0.059 10.096 1.00 0.00 C ATOM 191 C ARG A 12 -4.265 -1.056 9.179 1.00 0.00 C ATOM 192 O ARG A 12 -3.715 -2.105 8.850 1.00 0.00 O ATOM 193 CB ARG A 12 -4.200 -0.098 11.481 1.00 0.00 C ATOM 194 CG ARG A 12 -3.441 0.794 12.466 1.00 0.00 C ATOM 195 CD ARG A 12 -4.365 1.851 13.073 1.00 0.00 C ATOM 196 NE ARG A 12 -5.173 1.253 14.160 1.00 0.00 N ATOM 197 CZ ARG A 12 -4.664 0.806 15.316 1.00 0.00 C ATOM 198 NH1 ARG A 12 -3.346 0.887 15.543 1.00 0.00 N ATOM 199 NH2 ARG A 12 -5.473 0.279 16.245 1.00 0.00 N ATOM 0 H ARG A 12 -3.918 2.002 10.176 1.00 0.00 H new ATOM 0 HA ARG A 12 -2.502 -0.334 10.191 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -5.237 0.231 11.411 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -4.215 -1.123 11.851 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -3.012 0.182 13.260 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -2.611 1.282 11.955 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -3.775 2.681 13.462 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -5.021 2.258 12.303 1.00 0.00 H new ATOM 0 HE ARG A 12 -6.180 1.177 14.020 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -2.730 1.289 14.836 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -2.958 0.547 16.423 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -6.476 0.218 16.072 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -5.085 -0.061 17.125 1.00 0.00 H new ATOM 213 N GLN A 13 -5.480 -0.691 8.794 1.00 0.00 N ATOM 214 CA GLN A 13 -6.274 -1.540 7.922 1.00 0.00 C ATOM 215 C GLN A 13 -5.392 -2.158 6.835 1.00 0.00 C ATOM 216 O GLN A 13 -5.307 -3.380 6.719 1.00 0.00 O ATOM 217 CB GLN A 13 -7.436 -0.758 7.306 1.00 0.00 C ATOM 218 CG GLN A 13 -8.512 -0.460 8.352 1.00 0.00 C ATOM 219 CD GLN A 13 -9.514 -1.612 8.452 1.00 0.00 C ATOM 220 OE1 GLN A 13 -9.684 -2.402 7.538 1.00 0.00 O ATOM 221 NE2 GLN A 13 -10.166 -1.663 9.610 1.00 0.00 N ATOM 0 H GLN A 13 -5.933 0.180 9.070 1.00 0.00 H new ATOM 0 HA GLN A 13 -6.698 -2.347 8.520 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -7.067 0.176 6.883 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -7.870 -1.330 6.486 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -8.045 -0.295 9.323 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -9.035 0.460 8.089 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -9.975 -0.970 10.334 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -10.857 -2.395 9.775 1.00 0.00 H new ATOM 230 N LEU A 14 -4.757 -1.286 6.066 1.00 0.00 N ATOM 231 CA LEU A 14 -3.884 -1.730 4.993 1.00 0.00 C ATOM 232 C LEU A 14 -2.809 -2.656 5.566 1.00 0.00 C ATOM 233 O LEU A 14 -2.774 -3.844 5.248 1.00 0.00 O ATOM 234 CB LEU A 14 -3.319 -0.530 4.230 1.00 0.00 C ATOM 235 CG LEU A 14 -4.270 0.140 3.235 1.00 0.00 C ATOM 236 CD1 LEU A 14 -4.607 1.566 3.675 1.00 0.00 C ATOM 237 CD2 LEU A 14 -3.698 0.098 1.817 1.00 0.00 C ATOM 0 H LEU A 14 -4.830 -0.273 6.165 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.446 -2.308 4.260 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.997 0.218 4.955 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.429 -0.854 3.690 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.204 -0.423 3.222 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.284 2.020 2.951 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.086 1.541 4.654 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.691 2.155 3.734 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.393 0.580 1.130 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.743 0.622 1.794 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -3.550 -0.939 1.515 1.00 0.00 H new ATOM 249 N ILE A 15 -1.958 -2.077 6.400 1.00 0.00 N ATOM 250 CA ILE A 15 -0.885 -2.835 7.021 1.00 0.00 C ATOM 251 C ILE A 15 -1.442 -4.157 7.552 1.00 0.00 C ATOM 252 O ILE A 15 -0.716 -5.146 7.651 1.00 0.00 O ATOM 253 CB ILE A 15 -0.179 -1.993 8.085 1.00 0.00 C ATOM 254 CG1 ILE A 15 0.552 -0.808 7.451 1.00 0.00 C ATOM 255 CG2 ILE A 15 0.756 -2.855 8.935 1.00 0.00 C ATOM 256 CD1 ILE A 15 -0.129 0.514 7.812 1.00 0.00 C ATOM 0 H ILE A 15 -1.990 -1.091 6.660 1.00 0.00 H new ATOM 0 HA ILE A 15 -0.119 -3.083 6.286 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.936 -1.583 8.754 1.00 0.00 H new ATOM 0 HG12 ILE A 15 1.588 -0.792 7.790 1.00 0.00 H new ATOM 0 HG13 ILE A 15 0.573 -0.926 6.368 1.00 0.00 H new ATOM 0 HG21 ILE A 15 1.245 -2.232 9.684 1.00 0.00 H new ATOM 0 HG22 ILE A 15 0.180 -3.635 9.433 1.00 0.00 H new ATOM 0 HG23 ILE A 15 1.510 -3.313 8.295 1.00 0.00 H new ATOM 0 HD11 ILE A 15 0.411 1.340 7.349 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.157 0.504 7.450 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.126 0.641 8.895 1.00 0.00 H new ATOM 268 N ASP A 16 -2.725 -4.133 7.881 1.00 0.00 N ATOM 269 CA ASP A 16 -3.388 -5.317 8.400 1.00 0.00 C ATOM 270 C ASP A 16 -3.750 -6.244 7.238 1.00 0.00 C ATOM 271 O ASP A 16 -3.217 -7.347 7.130 1.00 0.00 O ATOM 272 CB ASP A 16 -4.679 -4.949 9.133 1.00 0.00 C ATOM 273 CG ASP A 16 -5.102 -5.928 10.230 1.00 0.00 C ATOM 274 OD1 ASP A 16 -4.196 -6.397 10.952 1.00 0.00 O ATOM 275 OD2 ASP A 16 -6.322 -6.185 10.322 1.00 0.00 O ATOM 0 H ASP A 16 -3.324 -3.311 7.798 1.00 0.00 H new ATOM 0 HA ASP A 16 -2.707 -5.807 9.095 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -4.558 -3.960 9.576 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -5.485 -4.875 8.403 1.00 0.00 H new ATOM 280 N ILE A 17 -4.655 -5.762 6.399 1.00 0.00 N ATOM 281 CA ILE A 17 -5.095 -6.533 5.249 1.00 0.00 C ATOM 282 C ILE A 17 -3.872 -7.034 4.478 1.00 0.00 C ATOM 283 O ILE A 17 -3.912 -8.103 3.870 1.00 0.00 O ATOM 284 CB ILE A 17 -6.068 -5.716 4.396 1.00 0.00 C ATOM 285 CG1 ILE A 17 -5.326 -4.648 3.590 1.00 0.00 C ATOM 286 CG2 ILE A 17 -7.180 -5.115 5.257 1.00 0.00 C ATOM 287 CD1 ILE A 17 -4.860 -5.203 2.243 1.00 0.00 C ATOM 0 H ILE A 17 -5.096 -4.847 6.493 1.00 0.00 H new ATOM 0 HA ILE A 17 -5.652 -7.413 5.571 1.00 0.00 H new ATOM 0 HB ILE A 17 -6.543 -6.388 3.681 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -5.979 -3.791 3.428 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -4.466 -4.291 4.157 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -7.858 -4.539 4.626 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -7.733 -5.916 5.748 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -6.743 -4.461 6.011 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -4.336 -4.424 1.690 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -4.188 -6.045 2.409 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -5.724 -5.537 1.668 1.00 0.00 H new ATOM 299 N VAL A 18 -2.814 -6.238 4.527 1.00 0.00 N ATOM 300 CA VAL A 18 -1.582 -6.587 3.841 1.00 0.00 C ATOM 301 C VAL A 18 -0.944 -7.794 4.530 1.00 0.00 C ATOM 302 O VAL A 18 -0.813 -8.860 3.930 1.00 0.00 O ATOM 303 CB VAL A 18 -0.654 -5.372 3.781 1.00 0.00 C ATOM 304 CG1 VAL A 18 0.645 -5.710 3.047 1.00 0.00 C ATOM 305 CG2 VAL A 18 -1.356 -4.177 3.133 1.00 0.00 C ATOM 0 H VAL A 18 -2.785 -5.352 5.032 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.787 -6.873 2.809 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.398 -5.095 4.804 1.00 0.00 H new ATOM 0 HG11 VAL A 18 1.287 -4.829 3.018 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.159 -6.517 3.570 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.416 -6.025 2.029 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.674 -3.327 3.103 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.656 -4.438 2.118 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.239 -3.914 3.716 1.00 0.00 H new ATOM 315 N ASP A 19 -0.563 -7.587 5.782 1.00 0.00 N ATOM 316 CA ASP A 19 0.059 -8.645 6.560 1.00 0.00 C ATOM 317 C ASP A 19 -0.891 -9.842 6.636 1.00 0.00 C ATOM 318 O ASP A 19 -0.449 -10.982 6.773 1.00 0.00 O ATOM 319 CB ASP A 19 0.348 -8.181 7.989 1.00 0.00 C ATOM 320 CG ASP A 19 0.492 -9.305 9.018 1.00 0.00 C ATOM 321 OD1 ASP A 19 1.314 -10.209 8.759 1.00 0.00 O ATOM 322 OD2 ASP A 19 -0.225 -9.233 10.039 1.00 0.00 O ATOM 0 H ASP A 19 -0.673 -6.702 6.277 1.00 0.00 H new ATOM 0 HA ASP A 19 0.995 -8.916 6.072 1.00 0.00 H new ATOM 0 HB2 ASP A 19 1.266 -7.593 7.985 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -0.455 -7.517 8.309 1.00 0.00 H new ATOM 327 N GLN A 20 -2.178 -9.543 6.543 1.00 0.00 N ATOM 328 CA GLN A 20 -3.194 -10.580 6.598 1.00 0.00 C ATOM 329 C GLN A 20 -3.212 -11.376 5.292 1.00 0.00 C ATOM 330 O GLN A 20 -2.947 -12.578 5.290 1.00 0.00 O ATOM 331 CB GLN A 20 -4.571 -9.983 6.895 1.00 0.00 C ATOM 332 CG GLN A 20 -5.476 -11.007 7.584 1.00 0.00 C ATOM 333 CD GLN A 20 -6.629 -10.317 8.315 1.00 0.00 C ATOM 334 OE1 GLN A 20 -7.512 -9.726 7.717 1.00 0.00 O ATOM 335 NE2 GLN A 20 -6.570 -10.423 9.640 1.00 0.00 N ATOM 0 H GLN A 20 -2.541 -8.596 6.430 1.00 0.00 H new ATOM 0 HA GLN A 20 -2.946 -11.261 7.412 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -4.461 -9.104 7.530 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -5.034 -9.649 5.967 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -5.874 -11.702 6.844 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -4.892 -11.595 8.292 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -5.802 -10.933 10.077 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -7.293 -9.995 10.219 1.00 0.00 H new ATOM 344 N LEU A 21 -3.526 -10.675 4.213 1.00 0.00 N ATOM 345 CA LEU A 21 -3.581 -11.302 2.903 1.00 0.00 C ATOM 346 C LEU A 21 -2.258 -12.019 2.629 1.00 0.00 C ATOM 347 O LEU A 21 -2.227 -13.020 1.915 1.00 0.00 O ATOM 348 CB LEU A 21 -3.957 -10.275 1.833 1.00 0.00 C ATOM 349 CG LEU A 21 -3.464 -10.572 0.415 1.00 0.00 C ATOM 350 CD1 LEU A 21 -1.960 -10.319 0.294 1.00 0.00 C ATOM 351 CD2 LEU A 21 -3.843 -11.992 -0.010 1.00 0.00 C ATOM 0 H LEU A 21 -3.745 -9.679 4.219 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.365 -12.059 2.876 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.043 -10.187 1.808 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -3.566 -9.304 2.136 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.962 -9.887 -0.271 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.635 -10.538 -0.723 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.747 -9.276 0.527 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.425 -10.963 0.992 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.481 -12.178 -1.021 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.391 -12.710 0.675 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.927 -12.102 0.013 1.00 0.00 H new ATOM 363 N LYS A 22 -1.197 -11.479 3.211 1.00 0.00 N ATOM 364 CA LYS A 22 0.125 -12.055 3.039 1.00 0.00 C ATOM 365 C LYS A 22 0.125 -13.490 3.570 1.00 0.00 C ATOM 366 O LYS A 22 0.585 -14.407 2.891 1.00 0.00 O ATOM 367 CB LYS A 22 1.187 -11.161 3.683 1.00 0.00 C ATOM 368 CG LYS A 22 2.090 -10.530 2.621 1.00 0.00 C ATOM 369 CD LYS A 22 2.729 -9.240 3.141 1.00 0.00 C ATOM 370 CE LYS A 22 3.529 -9.502 4.419 1.00 0.00 C ATOM 371 NZ LYS A 22 3.613 -8.272 5.239 1.00 0.00 N ATOM 0 H LYS A 22 -1.227 -10.648 3.802 1.00 0.00 H new ATOM 0 HA LYS A 22 0.383 -12.106 1.981 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.703 -10.377 4.266 1.00 0.00 H new ATOM 0 HB3 LYS A 22 1.790 -11.748 4.376 1.00 0.00 H new ATOM 0 HG2 LYS A 22 2.869 -11.236 2.335 1.00 0.00 H new ATOM 0 HG3 LYS A 22 1.508 -10.316 1.724 1.00 0.00 H new ATOM 0 HD2 LYS A 22 3.384 -8.821 2.377 1.00 0.00 H new ATOM 0 HD3 LYS A 22 1.954 -8.499 3.338 1.00 0.00 H new ATOM 0 HE2 LYS A 22 3.056 -10.298 4.994 1.00 0.00 H new ATOM 0 HE3 LYS A 22 4.532 -9.845 4.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 4.055 -8.494 6.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 4.187 -7.561 4.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 2.657 -7.895 5.398 1.00 0.00 H new ATOM 385 N ASN A 23 -0.396 -13.640 4.779 1.00 0.00 N ATOM 386 CA ASN A 23 -0.462 -14.947 5.408 1.00 0.00 C ATOM 387 C ASN A 23 -1.230 -15.908 4.499 1.00 0.00 C ATOM 388 O ASN A 23 -1.117 -17.125 4.639 1.00 0.00 O ATOM 389 CB ASN A 23 -1.196 -14.877 6.749 1.00 0.00 C ATOM 390 CG ASN A 23 -0.255 -15.212 7.908 1.00 0.00 C ATOM 391 OD1 ASN A 23 0.788 -14.605 8.090 1.00 0.00 O ATOM 392 ND2 ASN A 23 -0.679 -16.209 8.678 1.00 0.00 N ATOM 0 H ASN A 23 -0.776 -12.877 5.339 1.00 0.00 H new ATOM 0 HA ASN A 23 0.558 -15.293 5.573 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -1.610 -13.878 6.889 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -2.035 -15.572 6.745 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -0.121 -16.509 9.478 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -1.562 -16.674 8.469 1.00 0.00 H new ATOM 399 N TYR A 24 -1.993 -15.326 3.586 1.00 0.00 N ATOM 400 CA TYR A 24 -2.779 -16.115 2.653 1.00 0.00 C ATOM 401 C TYR A 24 -2.088 -16.204 1.291 1.00 0.00 C ATOM 402 O TYR A 24 -2.743 -16.414 0.271 1.00 0.00 O ATOM 403 CB TYR A 24 -4.109 -15.376 2.491 1.00 0.00 C ATOM 404 CG TYR A 24 -5.113 -15.647 3.612 1.00 0.00 C ATOM 405 CD1 TYR A 24 -5.307 -16.935 4.068 1.00 0.00 C ATOM 406 CD2 TYR A 24 -5.826 -14.604 4.168 1.00 0.00 C ATOM 407 CE1 TYR A 24 -6.252 -17.191 5.124 1.00 0.00 C ATOM 408 CE2 TYR A 24 -6.771 -14.860 5.224 1.00 0.00 C ATOM 409 CZ TYR A 24 -6.938 -16.140 5.649 1.00 0.00 C ATOM 410 OH TYR A 24 -7.831 -16.382 6.647 1.00 0.00 O ATOM 0 H TYR A 24 -2.084 -14.316 3.472 1.00 0.00 H new ATOM 0 HA TYR A 24 -2.909 -17.131 3.025 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -3.914 -14.305 2.443 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -4.557 -15.661 1.539 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -4.750 -17.751 3.633 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -5.675 -13.596 3.811 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -6.412 -18.194 5.491 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -7.334 -14.053 5.668 1.00 0.00 H new ATOM 0 HH TYR A 24 -8.246 -15.539 6.926 1.00 0.00 H new ATOM 420 N VAL A 25 -0.774 -16.038 1.318 1.00 0.00 N ATOM 421 CA VAL A 25 0.013 -16.096 0.098 1.00 0.00 C ATOM 422 C VAL A 25 -0.382 -17.341 -0.700 1.00 0.00 C ATOM 423 O VAL A 25 -0.332 -17.337 -1.929 1.00 0.00 O ATOM 424 CB VAL A 25 1.505 -16.050 0.434 1.00 0.00 C ATOM 425 CG1 VAL A 25 2.307 -16.949 -0.508 1.00 0.00 C ATOM 426 CG2 VAL A 25 2.030 -14.613 0.402 1.00 0.00 C ATOM 0 H VAL A 25 -0.234 -15.863 2.166 1.00 0.00 H new ATOM 0 HA VAL A 25 -0.192 -15.229 -0.530 1.00 0.00 H new ATOM 0 HB VAL A 25 1.632 -16.430 1.448 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.364 -16.898 -0.247 1.00 0.00 H new ATOM 0 HG12 VAL A 25 1.959 -17.978 -0.413 1.00 0.00 H new ATOM 0 HG13 VAL A 25 2.170 -16.613 -1.536 1.00 0.00 H new ATOM 0 HG21 VAL A 25 3.093 -14.608 0.644 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.883 -14.194 -0.593 1.00 0.00 H new ATOM 0 HG23 VAL A 25 1.489 -14.012 1.132 1.00 0.00 H new ATOM 436 N ASN A 26 -0.766 -18.377 0.033 1.00 0.00 N ATOM 437 CA ASN A 26 -1.169 -19.626 -0.591 1.00 0.00 C ATOM 438 C ASN A 26 -2.233 -19.341 -1.653 1.00 0.00 C ATOM 439 O ASN A 26 -2.400 -20.116 -2.593 1.00 0.00 O ATOM 440 CB ASN A 26 -1.771 -20.585 0.437 1.00 0.00 C ATOM 441 CG ASN A 26 -2.058 -21.951 -0.190 1.00 0.00 C ATOM 442 OD1 ASN A 26 -1.247 -22.518 -0.903 1.00 0.00 O ATOM 443 ND2 ASN A 26 -3.255 -22.445 0.115 1.00 0.00 N ATOM 0 H ASN A 26 -0.806 -18.377 1.052 1.00 0.00 H new ATOM 0 HA ASN A 26 -0.284 -20.082 -1.035 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -1.085 -20.703 1.276 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -2.693 -20.163 0.837 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -3.542 -23.351 -0.254 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -3.886 -21.917 0.718 1.00 0.00 H new ATOM 450 N ASP A 27 -2.925 -18.226 -1.467 1.00 0.00 N ATOM 451 CA ASP A 27 -3.968 -17.829 -2.397 1.00 0.00 C ATOM 452 C ASP A 27 -3.595 -16.488 -3.033 1.00 0.00 C ATOM 453 O ASP A 27 -4.429 -15.589 -3.128 1.00 0.00 O ATOM 454 CB ASP A 27 -5.308 -17.656 -1.680 1.00 0.00 C ATOM 455 CG ASP A 27 -5.890 -18.936 -1.078 1.00 0.00 C ATOM 456 OD1 ASP A 27 -5.117 -19.647 -0.400 1.00 0.00 O ATOM 457 OD2 ASP A 27 -7.095 -19.176 -1.309 1.00 0.00 O ATOM 0 H ASP A 27 -2.783 -17.585 -0.686 1.00 0.00 H new ATOM 0 HA ASP A 27 -4.061 -18.609 -3.152 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -5.185 -16.922 -0.884 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -6.030 -17.244 -2.385 1.00 0.00 H new ATOM 462 N LEU A 28 -2.342 -16.396 -3.451 1.00 0.00 N ATOM 463 CA LEU A 28 -1.848 -15.181 -4.076 1.00 0.00 C ATOM 464 C LEU A 28 -1.317 -15.509 -5.473 1.00 0.00 C ATOM 465 O LEU A 28 -0.271 -16.141 -5.610 1.00 0.00 O ATOM 466 CB LEU A 28 -0.821 -14.494 -3.173 1.00 0.00 C ATOM 467 CG LEU A 28 -1.387 -13.549 -2.111 1.00 0.00 C ATOM 468 CD1 LEU A 28 -0.273 -12.735 -1.451 1.00 0.00 C ATOM 469 CD2 LEU A 28 -2.480 -12.654 -2.699 1.00 0.00 C ATOM 0 H LEU A 28 -1.653 -17.144 -3.369 1.00 0.00 H new ATOM 0 HA LEU A 28 -2.658 -14.463 -4.204 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.236 -15.264 -2.671 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.133 -13.930 -3.803 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.851 -14.152 -1.330 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.703 -12.072 -0.700 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.438 -13.410 -0.974 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.241 -12.142 -2.207 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.865 -11.992 -1.923 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.064 -12.058 -3.511 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.291 -13.274 -3.082 1.00 0.00 H new ATOM 481 N VAL A 29 -2.063 -15.064 -6.474 1.00 0.00 N ATOM 482 CA VAL A 29 -1.680 -15.303 -7.855 1.00 0.00 C ATOM 483 C VAL A 29 -0.465 -14.440 -8.199 1.00 0.00 C ATOM 484 O VAL A 29 -0.523 -13.215 -8.106 1.00 0.00 O ATOM 485 CB VAL A 29 -2.874 -15.052 -8.779 1.00 0.00 C ATOM 486 CG1 VAL A 29 -2.892 -13.602 -9.269 1.00 0.00 C ATOM 487 CG2 VAL A 29 -2.870 -16.028 -9.957 1.00 0.00 C ATOM 0 H VAL A 29 -2.930 -14.540 -6.356 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.389 -16.344 -7.997 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.784 -15.224 -8.205 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.750 -13.450 -9.924 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -2.964 -12.930 -8.414 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.974 -13.392 -9.819 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.729 -15.828 -10.598 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.952 -15.902 -10.531 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.927 -17.050 -9.583 1.00 0.00 H new ATOM 497 N PRO A 30 0.635 -15.131 -8.601 1.00 0.00 N ATOM 498 CA PRO A 30 1.862 -14.440 -8.960 1.00 0.00 C ATOM 499 C PRO A 30 1.736 -13.775 -10.332 1.00 0.00 C ATOM 500 O PRO A 30 1.767 -14.452 -11.359 1.00 0.00 O ATOM 501 CB PRO A 30 2.942 -15.509 -8.915 1.00 0.00 C ATOM 502 CG PRO A 30 2.214 -16.841 -8.989 1.00 0.00 C ATOM 503 CD PRO A 30 0.740 -16.582 -8.724 1.00 0.00 C ATOM 0 HA PRO A 30 2.100 -13.623 -8.279 1.00 0.00 H new ATOM 0 HB2 PRO A 30 3.637 -15.397 -9.747 1.00 0.00 H new ATOM 0 HB3 PRO A 30 3.527 -15.434 -7.999 1.00 0.00 H new ATOM 0 HG2 PRO A 30 2.351 -17.297 -9.969 1.00 0.00 H new ATOM 0 HG3 PRO A 30 2.617 -17.538 -8.254 1.00 0.00 H new ATOM 0 HD2 PRO A 30 0.120 -16.956 -9.538 1.00 0.00 H new ATOM 0 HD3 PRO A 30 0.407 -17.082 -7.814 1.00 0.00 H new ATOM 511 N GLU A 31 1.597 -12.458 -10.305 1.00 0.00 N ATOM 512 CA GLU A 31 1.466 -11.694 -11.534 1.00 0.00 C ATOM 513 C GLU A 31 2.383 -10.470 -11.499 1.00 0.00 C ATOM 514 O GLU A 31 2.838 -10.061 -10.431 1.00 0.00 O ATOM 515 CB GLU A 31 0.011 -11.282 -11.771 1.00 0.00 C ATOM 516 CG GLU A 31 -0.335 -11.324 -13.261 1.00 0.00 C ATOM 517 CD GLU A 31 -0.150 -12.733 -13.827 1.00 0.00 C ATOM 518 OE1 GLU A 31 -0.769 -13.658 -13.260 1.00 0.00 O ATOM 519 OE2 GLU A 31 0.607 -12.853 -14.815 1.00 0.00 O ATOM 0 H GLU A 31 1.572 -11.900 -9.451 1.00 0.00 H new ATOM 0 HA GLU A 31 1.770 -12.328 -12.367 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -0.654 -11.948 -11.221 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -0.154 -10.276 -11.384 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -1.366 -11.002 -13.408 1.00 0.00 H new ATOM 0 HG3 GLU A 31 0.299 -10.624 -13.805 1.00 0.00 H new ATOM 526 N PHE A 32 2.629 -9.920 -12.679 1.00 0.00 N ATOM 527 CA PHE A 32 3.484 -8.751 -12.796 1.00 0.00 C ATOM 528 C PHE A 32 2.851 -7.537 -12.114 1.00 0.00 C ATOM 529 O PHE A 32 2.068 -6.814 -12.728 1.00 0.00 O ATOM 530 CB PHE A 32 3.639 -8.459 -14.290 1.00 0.00 C ATOM 531 CG PHE A 32 4.209 -9.628 -15.097 1.00 0.00 C ATOM 532 CD1 PHE A 32 5.553 -9.831 -15.143 1.00 0.00 C ATOM 533 CD2 PHE A 32 3.371 -10.462 -15.769 1.00 0.00 C ATOM 534 CE1 PHE A 32 6.081 -10.916 -15.892 1.00 0.00 C ATOM 535 CE2 PHE A 32 3.900 -11.547 -16.518 1.00 0.00 C ATOM 536 CZ PHE A 32 5.244 -11.751 -16.564 1.00 0.00 C ATOM 0 H PHE A 32 2.251 -10.262 -13.562 1.00 0.00 H new ATOM 0 HA PHE A 32 4.444 -8.943 -12.317 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.666 -8.188 -14.700 1.00 0.00 H new ATOM 0 HB3 PHE A 32 4.289 -7.593 -14.415 1.00 0.00 H new ATOM 0 HD1 PHE A 32 6.218 -9.168 -14.610 1.00 0.00 H new ATOM 0 HD2 PHE A 32 2.304 -10.300 -15.733 1.00 0.00 H new ATOM 0 HE1 PHE A 32 7.148 -11.078 -15.928 1.00 0.00 H new ATOM 0 HE2 PHE A 32 3.235 -12.210 -17.051 1.00 0.00 H new ATOM 0 HZ PHE A 32 5.646 -12.576 -17.134 1.00 0.00 H new ATOM 546 N LEU A 33 3.212 -7.351 -10.853 1.00 0.00 N ATOM 547 CA LEU A 33 2.689 -6.237 -10.081 1.00 0.00 C ATOM 548 C LEU A 33 3.766 -5.158 -9.956 1.00 0.00 C ATOM 549 O LEU A 33 4.949 -5.469 -9.823 1.00 0.00 O ATOM 550 CB LEU A 33 2.148 -6.725 -8.736 1.00 0.00 C ATOM 551 CG LEU A 33 0.644 -6.556 -8.516 1.00 0.00 C ATOM 552 CD1 LEU A 33 -0.136 -6.868 -9.795 1.00 0.00 C ATOM 553 CD2 LEU A 33 0.164 -7.398 -7.333 1.00 0.00 C ATOM 0 H LEU A 33 3.861 -7.953 -10.346 1.00 0.00 H new ATOM 0 HA LEU A 33 1.841 -5.783 -10.594 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.394 -7.782 -8.630 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.673 -6.194 -7.942 1.00 0.00 H new ATOM 0 HG LEU A 33 0.451 -5.512 -8.267 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.203 -6.740 -9.611 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.179 -6.190 -10.588 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.059 -7.897 -10.098 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.909 -7.259 -7.199 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.372 -8.450 -7.527 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.686 -7.086 -6.429 1.00 0.00 H new ATOM 565 N PRO A 34 3.307 -3.879 -10.004 1.00 0.00 N ATOM 566 CA PRO A 34 4.218 -2.752 -9.898 1.00 0.00 C ATOM 567 C PRO A 34 4.692 -2.564 -8.455 1.00 0.00 C ATOM 568 O PRO A 34 3.879 -2.516 -7.533 1.00 0.00 O ATOM 569 CB PRO A 34 3.435 -1.561 -10.426 1.00 0.00 C ATOM 570 CG PRO A 34 1.971 -1.969 -10.373 1.00 0.00 C ATOM 571 CD PRO A 34 1.913 -3.473 -10.161 1.00 0.00 C ATOM 0 HA PRO A 34 5.133 -2.896 -10.472 1.00 0.00 H new ATOM 0 HB2 PRO A 34 3.616 -0.674 -9.818 1.00 0.00 H new ATOM 0 HB3 PRO A 34 3.736 -1.316 -11.445 1.00 0.00 H new ATOM 0 HG2 PRO A 34 1.459 -1.449 -9.563 1.00 0.00 H new ATOM 0 HG3 PRO A 34 1.465 -1.694 -11.298 1.00 0.00 H new ATOM 0 HD2 PRO A 34 1.325 -3.726 -9.279 1.00 0.00 H new ATOM 0 HD3 PRO A 34 1.447 -3.975 -11.009 1.00 0.00 H new ATOM 579 N ALA A 35 6.004 -2.463 -8.306 1.00 0.00 N ATOM 580 CA ALA A 35 6.596 -2.281 -6.991 1.00 0.00 C ATOM 581 C ALA A 35 7.705 -1.231 -7.076 1.00 0.00 C ATOM 582 O ALA A 35 8.767 -1.490 -7.641 1.00 0.00 O ATOM 583 CB ALA A 35 7.104 -3.626 -6.469 1.00 0.00 C ATOM 0 H ALA A 35 6.674 -2.504 -9.074 1.00 0.00 H new ATOM 0 HA ALA A 35 5.852 -1.917 -6.282 1.00 0.00 H new ATOM 0 HB1 ALA A 35 7.548 -3.489 -5.483 1.00 0.00 H new ATOM 0 HB2 ALA A 35 6.272 -4.327 -6.398 1.00 0.00 H new ATOM 0 HB3 ALA A 35 7.855 -4.022 -7.153 1.00 0.00 H new ATOM 589 N PRO A 36 7.414 -0.038 -6.492 1.00 0.00 N ATOM 590 CA PRO A 36 8.375 1.052 -6.496 1.00 0.00 C ATOM 591 C PRO A 36 9.501 0.795 -5.492 1.00 0.00 C ATOM 592 O PRO A 36 9.254 0.686 -4.292 1.00 0.00 O ATOM 593 CB PRO A 36 7.562 2.294 -6.172 1.00 0.00 C ATOM 594 CG PRO A 36 6.271 1.796 -5.543 1.00 0.00 C ATOM 595 CD PRO A 36 6.168 0.303 -5.813 1.00 0.00 C ATOM 0 HA PRO A 36 8.881 1.163 -7.455 1.00 0.00 H new ATOM 0 HB2 PRO A 36 8.103 2.947 -5.487 1.00 0.00 H new ATOM 0 HB3 PRO A 36 7.359 2.874 -7.072 1.00 0.00 H new ATOM 0 HG2 PRO A 36 6.268 1.991 -4.471 1.00 0.00 H new ATOM 0 HG3 PRO A 36 5.414 2.320 -5.965 1.00 0.00 H new ATOM 0 HD2 PRO A 36 6.055 -0.260 -4.887 1.00 0.00 H new ATOM 0 HD3 PRO A 36 5.303 0.072 -6.434 1.00 0.00 H new ATOM 603 N GLU A 37 10.713 0.704 -6.020 1.00 0.00 N ATOM 604 CA GLU A 37 11.876 0.462 -5.184 1.00 0.00 C ATOM 605 C GLU A 37 12.595 1.778 -4.881 1.00 0.00 C ATOM 606 O GLU A 37 13.124 2.423 -5.786 1.00 0.00 O ATOM 607 CB GLU A 37 12.825 -0.542 -5.843 1.00 0.00 C ATOM 608 CG GLU A 37 13.752 -1.181 -4.808 1.00 0.00 C ATOM 609 CD GLU A 37 15.209 -1.134 -5.273 1.00 0.00 C ATOM 610 OE1 GLU A 37 15.551 -1.958 -6.149 1.00 0.00 O ATOM 611 OE2 GLU A 37 15.947 -0.277 -4.743 1.00 0.00 O ATOM 0 H GLU A 37 10.914 0.794 -7.016 1.00 0.00 H new ATOM 0 HA GLU A 37 11.539 0.030 -4.242 1.00 0.00 H new ATOM 0 HB2 GLU A 37 12.247 -1.317 -6.347 1.00 0.00 H new ATOM 0 HB3 GLU A 37 13.418 -0.040 -6.607 1.00 0.00 H new ATOM 0 HG2 GLU A 37 13.654 -0.660 -3.856 1.00 0.00 H new ATOM 0 HG3 GLU A 37 13.454 -2.216 -4.638 1.00 0.00 H new ATOM 618 N ASP A 38 12.592 2.137 -3.606 1.00 0.00 N ATOM 619 CA ASP A 38 13.237 3.365 -3.173 1.00 0.00 C ATOM 620 C ASP A 38 12.519 4.562 -3.799 1.00 0.00 C ATOM 621 O ASP A 38 12.766 4.903 -4.955 1.00 0.00 O ATOM 622 CB ASP A 38 14.700 3.405 -3.618 1.00 0.00 C ATOM 623 CG ASP A 38 15.710 3.669 -2.499 1.00 0.00 C ATOM 624 OD1 ASP A 38 15.557 4.715 -1.832 1.00 0.00 O ATOM 625 OD2 ASP A 38 16.611 2.818 -2.336 1.00 0.00 O ATOM 0 H ASP A 38 12.153 1.599 -2.859 1.00 0.00 H new ATOM 0 HA ASP A 38 13.190 3.405 -2.085 1.00 0.00 H new ATOM 0 HB2 ASP A 38 14.946 2.455 -4.092 1.00 0.00 H new ATOM 0 HB3 ASP A 38 14.812 4.179 -4.378 1.00 0.00 H new ATOM 630 N VAL A 39 11.646 5.168 -3.008 1.00 0.00 N ATOM 631 CA VAL A 39 10.890 6.319 -3.471 1.00 0.00 C ATOM 632 C VAL A 39 11.424 7.581 -2.790 1.00 0.00 C ATOM 633 O VAL A 39 11.829 7.540 -1.629 1.00 0.00 O ATOM 634 CB VAL A 39 9.396 6.097 -3.230 1.00 0.00 C ATOM 635 CG1 VAL A 39 8.656 5.868 -4.549 1.00 0.00 C ATOM 636 CG2 VAL A 39 9.164 4.935 -2.262 1.00 0.00 C ATOM 0 H VAL A 39 11.445 4.883 -2.049 1.00 0.00 H new ATOM 0 HA VAL A 39 11.015 6.450 -4.546 1.00 0.00 H new ATOM 0 HB VAL A 39 8.992 7.000 -2.772 1.00 0.00 H new ATOM 0 HG11 VAL A 39 7.596 5.713 -4.349 1.00 0.00 H new ATOM 0 HG12 VAL A 39 8.780 6.739 -5.192 1.00 0.00 H new ATOM 0 HG13 VAL A 39 9.064 4.988 -5.047 1.00 0.00 H new ATOM 0 HG21 VAL A 39 8.094 4.798 -2.108 1.00 0.00 H new ATOM 0 HG22 VAL A 39 9.590 4.023 -2.680 1.00 0.00 H new ATOM 0 HG23 VAL A 39 9.643 5.155 -1.308 1.00 0.00 H new ATOM 646 N GLU A 40 11.408 8.673 -3.541 1.00 0.00 N ATOM 647 CA GLU A 40 11.885 9.944 -3.024 1.00 0.00 C ATOM 648 C GLU A 40 11.145 10.305 -1.735 1.00 0.00 C ATOM 649 O GLU A 40 10.109 9.717 -1.424 1.00 0.00 O ATOM 650 CB GLU A 40 11.737 11.051 -4.070 1.00 0.00 C ATOM 651 CG GLU A 40 12.246 12.388 -3.528 1.00 0.00 C ATOM 652 CD GLU A 40 12.385 13.418 -4.651 1.00 0.00 C ATOM 653 OE1 GLU A 40 11.463 13.467 -5.493 1.00 0.00 O ATOM 654 OE2 GLU A 40 13.411 14.133 -4.641 1.00 0.00 O ATOM 0 H GLU A 40 11.072 8.703 -4.504 1.00 0.00 H new ATOM 0 HA GLU A 40 12.946 9.845 -2.794 1.00 0.00 H new ATOM 0 HB2 GLU A 40 12.292 10.784 -4.969 1.00 0.00 H new ATOM 0 HB3 GLU A 40 10.690 11.146 -4.359 1.00 0.00 H new ATOM 0 HG2 GLU A 40 11.559 12.762 -2.769 1.00 0.00 H new ATOM 0 HG3 GLU A 40 13.210 12.244 -3.041 1.00 0.00 H new ATOM 661 N THR A 41 11.704 11.269 -1.019 1.00 0.00 N ATOM 662 CA THR A 41 11.109 11.715 0.229 1.00 0.00 C ATOM 663 C THR A 41 9.594 11.859 0.077 1.00 0.00 C ATOM 664 O THR A 41 8.831 11.312 0.872 1.00 0.00 O ATOM 665 CB THR A 41 11.804 13.013 0.647 1.00 0.00 C ATOM 666 OG1 THR A 41 12.843 12.584 1.522 1.00 0.00 O ATOM 667 CG2 THR A 41 10.916 13.896 1.526 1.00 0.00 C ATOM 0 H THR A 41 12.563 11.754 -1.279 1.00 0.00 H new ATOM 0 HA THR A 41 11.256 10.981 1.021 1.00 0.00 H new ATOM 0 HB THR A 41 12.100 13.569 -0.243 1.00 0.00 H new ATOM 0 HG1 THR A 41 13.346 13.363 1.839 1.00 0.00 H new ATOM 0 HG21 THR A 41 11.457 14.803 1.794 1.00 0.00 H new ATOM 0 HG22 THR A 41 10.011 14.161 0.979 1.00 0.00 H new ATOM 0 HG23 THR A 41 10.646 13.353 2.432 1.00 0.00 H new ATOM 675 N ASN A 42 9.202 12.599 -0.951 1.00 0.00 N ATOM 676 CA ASN A 42 7.791 12.822 -1.218 1.00 0.00 C ATOM 677 C ASN A 42 7.388 12.054 -2.478 1.00 0.00 C ATOM 678 O ASN A 42 6.842 12.634 -3.415 1.00 0.00 O ATOM 679 CB ASN A 42 7.503 14.305 -1.456 1.00 0.00 C ATOM 680 CG ASN A 42 7.235 15.031 -0.135 1.00 0.00 C ATOM 681 OD1 ASN A 42 7.942 14.869 0.846 1.00 0.00 O ATOM 682 ND2 ASN A 42 6.178 15.837 -0.166 1.00 0.00 N ATOM 0 H ASN A 42 9.837 13.051 -1.608 1.00 0.00 H new ATOM 0 HA ASN A 42 7.225 12.480 -0.351 1.00 0.00 H new ATOM 0 HB2 ASN A 42 8.350 14.767 -1.963 1.00 0.00 H new ATOM 0 HB3 ASN A 42 6.641 14.411 -2.114 1.00 0.00 H new ATOM 0 HD21 ASN A 42 5.916 16.366 0.665 1.00 0.00 H new ATOM 0 HD22 ASN A 42 5.629 15.926 -1.021 1.00 0.00 H new ATOM 689 N CYS A 43 7.672 10.760 -2.460 1.00 0.00 N ATOM 690 CA CYS A 43 7.345 9.906 -3.590 1.00 0.00 C ATOM 691 C CYS A 43 6.431 8.783 -3.095 1.00 0.00 C ATOM 692 O CYS A 43 5.505 8.378 -3.796 1.00 0.00 O ATOM 693 CB CYS A 43 8.603 9.361 -4.269 1.00 0.00 C ATOM 694 SG CYS A 43 8.774 9.804 -6.036 1.00 0.00 S ATOM 0 H CYS A 43 8.125 10.282 -1.681 1.00 0.00 H new ATOM 0 HA CYS A 43 6.824 10.488 -4.351 1.00 0.00 H new ATOM 0 HB2 CYS A 43 9.477 9.727 -3.731 1.00 0.00 H new ATOM 0 HB3 CYS A 43 8.606 8.275 -4.179 1.00 0.00 H new ATOM 699 N GLU A 44 6.723 8.313 -1.891 1.00 0.00 N ATOM 700 CA GLU A 44 5.939 7.245 -1.295 1.00 0.00 C ATOM 701 C GLU A 44 4.466 7.386 -1.684 1.00 0.00 C ATOM 702 O GLU A 44 3.788 6.391 -1.932 1.00 0.00 O ATOM 703 CB GLU A 44 6.105 7.227 0.226 1.00 0.00 C ATOM 704 CG GLU A 44 7.547 6.900 0.617 1.00 0.00 C ATOM 705 CD GLU A 44 8.349 8.178 0.872 1.00 0.00 C ATOM 706 OE1 GLU A 44 8.118 9.152 0.123 1.00 0.00 O ATOM 707 OE2 GLU A 44 9.176 8.152 1.810 1.00 0.00 O ATOM 0 H GLU A 44 7.491 8.652 -1.312 1.00 0.00 H new ATOM 0 HA GLU A 44 6.306 6.293 -1.679 1.00 0.00 H new ATOM 0 HB2 GLU A 44 5.824 8.196 0.637 1.00 0.00 H new ATOM 0 HB3 GLU A 44 5.431 6.489 0.660 1.00 0.00 H new ATOM 0 HG2 GLU A 44 7.553 6.278 1.512 1.00 0.00 H new ATOM 0 HG3 GLU A 44 8.020 6.321 -0.176 1.00 0.00 H new ATOM 714 N TRP A 45 4.015 8.631 -1.726 1.00 0.00 N ATOM 715 CA TRP A 45 2.635 8.916 -2.082 1.00 0.00 C ATOM 716 C TRP A 45 2.448 8.576 -3.562 1.00 0.00 C ATOM 717 O TRP A 45 1.600 7.756 -3.912 1.00 0.00 O ATOM 718 CB TRP A 45 2.271 10.364 -1.751 1.00 0.00 C ATOM 719 CG TRP A 45 2.075 10.631 -0.257 1.00 0.00 C ATOM 720 CD1 TRP A 45 2.937 11.192 0.601 1.00 0.00 C ATOM 721 CD2 TRP A 45 0.901 10.323 0.524 1.00 0.00 C ATOM 722 NE1 TRP A 45 2.408 11.268 1.873 1.00 0.00 N ATOM 723 CE2 TRP A 45 1.130 10.723 1.825 1.00 0.00 C ATOM 724 CE3 TRP A 45 -0.314 9.727 0.144 1.00 0.00 C ATOM 725 CZ2 TRP A 45 0.190 10.570 2.851 1.00 0.00 C ATOM 726 CZ3 TRP A 45 -1.243 9.581 1.181 1.00 0.00 C ATOM 727 CH2 TRP A 45 -1.028 9.978 2.495 1.00 0.00 C ATOM 0 H TRP A 45 4.581 9.454 -1.519 1.00 0.00 H new ATOM 0 HA TRP A 45 1.951 8.303 -1.495 1.00 0.00 H new ATOM 0 HB2 TRP A 45 3.056 11.020 -2.127 1.00 0.00 H new ATOM 0 HB3 TRP A 45 1.355 10.628 -2.280 1.00 0.00 H new ATOM 0 HD1 TRP A 45 3.923 11.541 0.331 1.00 0.00 H new ATOM 0 HE1 TRP A 45 2.870 11.653 2.697 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -0.515 9.407 -0.868 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 0.393 10.891 3.862 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -2.194 9.128 0.943 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -1.797 9.831 3.239 1.00 0.00 H new ATOM 738 N SER A 46 3.255 9.222 -4.391 1.00 0.00 N ATOM 739 CA SER A 46 3.189 8.998 -5.825 1.00 0.00 C ATOM 740 C SER A 46 3.312 7.503 -6.128 1.00 0.00 C ATOM 741 O SER A 46 2.897 7.045 -7.191 1.00 0.00 O ATOM 742 CB SER A 46 4.283 9.779 -6.556 1.00 0.00 C ATOM 743 OG SER A 46 3.898 11.128 -6.807 1.00 0.00 O ATOM 0 H SER A 46 3.958 9.900 -4.097 1.00 0.00 H new ATOM 0 HA SER A 46 2.224 9.357 -6.182 1.00 0.00 H new ATOM 0 HB2 SER A 46 5.196 9.767 -5.961 1.00 0.00 H new ATOM 0 HB3 SER A 46 4.512 9.285 -7.501 1.00 0.00 H new ATOM 0 HG SER A 46 4.623 11.594 -7.273 1.00 0.00 H new ATOM 749 N ALA A 47 3.884 6.784 -5.173 1.00 0.00 N ATOM 750 CA ALA A 47 4.067 5.350 -5.324 1.00 0.00 C ATOM 751 C ALA A 47 2.786 4.630 -4.900 1.00 0.00 C ATOM 752 O ALA A 47 2.543 3.495 -5.308 1.00 0.00 O ATOM 753 CB ALA A 47 5.284 4.903 -4.513 1.00 0.00 C ATOM 0 H ALA A 47 4.227 7.167 -4.292 1.00 0.00 H new ATOM 0 HA ALA A 47 4.259 5.094 -6.366 1.00 0.00 H new ATOM 0 HB1 ALA A 47 5.422 3.828 -4.626 1.00 0.00 H new ATOM 0 HB2 ALA A 47 6.172 5.422 -4.873 1.00 0.00 H new ATOM 0 HB3 ALA A 47 5.127 5.140 -3.461 1.00 0.00 H new ATOM 759 N PHE A 48 2.000 5.318 -4.085 1.00 0.00 N ATOM 760 CA PHE A 48 0.749 4.758 -3.601 1.00 0.00 C ATOM 761 C PHE A 48 -0.124 4.281 -4.763 1.00 0.00 C ATOM 762 O PHE A 48 -0.859 3.304 -4.632 1.00 0.00 O ATOM 763 CB PHE A 48 0.018 5.875 -2.853 1.00 0.00 C ATOM 764 CG PHE A 48 -1.097 5.379 -1.930 1.00 0.00 C ATOM 765 CD1 PHE A 48 -2.243 4.874 -2.459 1.00 0.00 C ATOM 766 CD2 PHE A 48 -0.941 5.444 -0.581 1.00 0.00 C ATOM 767 CE1 PHE A 48 -3.278 4.415 -1.603 1.00 0.00 C ATOM 768 CE2 PHE A 48 -1.976 4.985 0.276 1.00 0.00 C ATOM 769 CZ PHE A 48 -3.123 4.480 -0.253 1.00 0.00 C ATOM 0 H PHE A 48 2.205 6.258 -3.747 1.00 0.00 H new ATOM 0 HA PHE A 48 0.949 3.901 -2.957 1.00 0.00 H new ATOM 0 HB2 PHE A 48 0.742 6.437 -2.262 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -0.407 6.567 -3.580 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -2.366 4.822 -3.531 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -0.030 5.845 -0.161 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -4.189 4.014 -2.023 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -1.853 5.037 1.348 1.00 0.00 H new ATOM 0 HZ PHE A 48 -3.910 4.131 0.399 1.00 0.00 H new ATOM 779 N SER A 49 -0.015 4.994 -5.875 1.00 0.00 N ATOM 780 CA SER A 49 -0.786 4.656 -7.059 1.00 0.00 C ATOM 781 C SER A 49 -0.329 3.306 -7.613 1.00 0.00 C ATOM 782 O SER A 49 -1.154 2.474 -7.990 1.00 0.00 O ATOM 783 CB SER A 49 -0.655 5.741 -8.130 1.00 0.00 C ATOM 784 OG SER A 49 -1.264 5.355 -9.359 1.00 0.00 O ATOM 0 H SER A 49 0.596 5.804 -5.981 1.00 0.00 H new ATOM 0 HA SER A 49 -1.836 4.588 -6.775 1.00 0.00 H new ATOM 0 HB2 SER A 49 -1.115 6.662 -7.771 1.00 0.00 H new ATOM 0 HB3 SER A 49 0.400 5.957 -8.300 1.00 0.00 H new ATOM 0 HG SER A 49 -1.302 6.127 -9.962 1.00 0.00 H new ATOM 790 N CYS A 50 0.983 3.129 -7.646 1.00 0.00 N ATOM 791 CA CYS A 50 1.560 1.893 -8.148 1.00 0.00 C ATOM 792 C CYS A 50 0.859 0.721 -7.458 1.00 0.00 C ATOM 793 O CYS A 50 0.303 -0.152 -8.123 1.00 0.00 O ATOM 794 CB CYS A 50 3.076 1.852 -7.943 1.00 0.00 C ATOM 795 SG CYS A 50 4.058 2.475 -9.355 1.00 0.00 S ATOM 0 H CYS A 50 1.664 3.821 -7.333 1.00 0.00 H new ATOM 0 HA CYS A 50 1.403 1.826 -9.225 1.00 0.00 H new ATOM 0 HB2 CYS A 50 3.325 2.438 -7.059 1.00 0.00 H new ATOM 0 HB3 CYS A 50 3.373 0.824 -7.738 1.00 0.00 H new ATOM 800 N PHE A 51 0.907 0.739 -6.135 1.00 0.00 N ATOM 801 CA PHE A 51 0.284 -0.311 -5.348 1.00 0.00 C ATOM 802 C PHE A 51 -1.234 -0.316 -5.545 1.00 0.00 C ATOM 803 O PHE A 51 -1.890 -1.331 -5.316 1.00 0.00 O ATOM 804 CB PHE A 51 0.595 -0.015 -3.880 1.00 0.00 C ATOM 805 CG PHE A 51 2.082 -0.099 -3.529 1.00 0.00 C ATOM 806 CD1 PHE A 51 2.653 -1.307 -3.273 1.00 0.00 C ATOM 807 CD2 PHE A 51 2.833 1.033 -3.473 1.00 0.00 C ATOM 808 CE1 PHE A 51 4.032 -1.385 -2.948 1.00 0.00 C ATOM 809 CE2 PHE A 51 4.213 0.955 -3.148 1.00 0.00 C ATOM 810 CZ PHE A 51 4.783 -0.253 -2.892 1.00 0.00 C ATOM 0 H PHE A 51 1.368 1.465 -5.587 1.00 0.00 H new ATOM 0 HA PHE A 51 0.667 -1.284 -5.656 1.00 0.00 H new ATOM 0 HB2 PHE A 51 0.231 0.983 -3.636 1.00 0.00 H new ATOM 0 HB3 PHE A 51 0.044 -0.717 -3.254 1.00 0.00 H new ATOM 0 HD1 PHE A 51 2.057 -2.206 -3.317 1.00 0.00 H new ATOM 0 HD2 PHE A 51 2.380 1.992 -3.676 1.00 0.00 H new ATOM 0 HE1 PHE A 51 4.485 -2.344 -2.745 1.00 0.00 H new ATOM 0 HE2 PHE A 51 4.810 1.854 -3.104 1.00 0.00 H new ATOM 0 HZ PHE A 51 5.832 -0.313 -2.644 1.00 0.00 H new ATOM 820 N GLN A 52 -1.747 0.831 -5.966 1.00 0.00 N ATOM 821 CA GLN A 52 -3.175 0.971 -6.196 1.00 0.00 C ATOM 822 C GLN A 52 -3.580 0.245 -7.480 1.00 0.00 C ATOM 823 O GLN A 52 -4.532 -0.534 -7.483 1.00 0.00 O ATOM 824 CB GLN A 52 -3.579 2.446 -6.250 1.00 0.00 C ATOM 825 CG GLN A 52 -4.839 2.700 -5.419 1.00 0.00 C ATOM 826 CD GLN A 52 -5.912 3.405 -6.252 1.00 0.00 C ATOM 827 OE1 GLN A 52 -5.639 4.302 -7.032 1.00 0.00 O ATOM 828 NE2 GLN A 52 -7.144 2.950 -6.043 1.00 0.00 N ATOM 0 H GLN A 52 -1.200 1.671 -6.154 1.00 0.00 H new ATOM 0 HA GLN A 52 -3.704 0.513 -5.361 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.762 3.064 -5.877 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -3.756 2.741 -7.284 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -5.228 1.754 -5.044 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -4.589 3.309 -4.550 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -7.303 2.196 -5.375 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -7.930 3.355 -6.551 1.00 0.00 H new ATOM 837 N LYS A 53 -2.837 0.526 -8.541 1.00 0.00 N ATOM 838 CA LYS A 53 -3.106 -0.092 -9.828 1.00 0.00 C ATOM 839 C LYS A 53 -2.594 -1.533 -9.815 1.00 0.00 C ATOM 840 O LYS A 53 -2.832 -2.289 -10.756 1.00 0.00 O ATOM 841 CB LYS A 53 -2.526 0.757 -10.961 1.00 0.00 C ATOM 842 CG LYS A 53 -0.999 0.655 -10.996 1.00 0.00 C ATOM 843 CD LYS A 53 -0.410 1.607 -12.038 1.00 0.00 C ATOM 844 CE LYS A 53 0.495 0.857 -13.017 1.00 0.00 C ATOM 845 NZ LYS A 53 0.252 1.316 -14.403 1.00 0.00 N ATOM 0 H LYS A 53 -2.049 1.174 -8.535 1.00 0.00 H new ATOM 0 HA LYS A 53 -4.179 -0.137 -10.012 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -2.938 0.428 -11.915 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.822 1.798 -10.828 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -0.593 0.890 -10.012 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -0.704 -0.369 -11.226 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -1.216 2.097 -12.585 1.00 0.00 H new ATOM 0 HD3 LYS A 53 0.159 2.391 -11.539 1.00 0.00 H new ATOM 0 HE2 LYS A 53 1.540 1.018 -12.752 1.00 0.00 H new ATOM 0 HE3 LYS A 53 0.310 -0.215 -12.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 0.874 0.797 -15.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -0.741 1.140 -14.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 0.451 2.334 -14.471 1.00 0.00 H new ATOM 859 N ALA A 54 -1.901 -1.871 -8.738 1.00 0.00 N ATOM 860 CA ALA A 54 -1.353 -3.209 -8.590 1.00 0.00 C ATOM 861 C ALA A 54 -2.478 -4.235 -8.736 1.00 0.00 C ATOM 862 O ALA A 54 -2.386 -5.151 -9.552 1.00 0.00 O ATOM 863 CB ALA A 54 -0.633 -3.320 -7.245 1.00 0.00 C ATOM 0 H ALA A 54 -1.706 -1.242 -7.959 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.619 -3.412 -9.370 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.222 -4.323 -7.134 1.00 0.00 H new ATOM 0 HB2 ALA A 54 0.176 -2.590 -7.204 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -1.339 -3.126 -6.437 1.00 0.00 H new ATOM 869 N GLN A 55 -3.515 -4.047 -7.932 1.00 0.00 N ATOM 870 CA GLN A 55 -4.657 -4.945 -7.961 1.00 0.00 C ATOM 871 C GLN A 55 -4.244 -6.345 -7.501 1.00 0.00 C ATOM 872 O GLN A 55 -3.729 -7.135 -8.291 1.00 0.00 O ATOM 873 CB GLN A 55 -5.284 -4.989 -9.356 1.00 0.00 C ATOM 874 CG GLN A 55 -6.417 -6.016 -9.415 1.00 0.00 C ATOM 875 CD GLN A 55 -6.898 -6.219 -10.854 1.00 0.00 C ATOM 876 OE1 GLN A 55 -6.347 -5.684 -11.801 1.00 0.00 O ATOM 877 NE2 GLN A 55 -7.954 -7.020 -10.963 1.00 0.00 N ATOM 0 H GLN A 55 -3.588 -3.286 -7.257 1.00 0.00 H new ATOM 0 HA GLN A 55 -5.411 -4.565 -7.271 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -5.668 -4.003 -9.617 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -4.522 -5.240 -10.094 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -6.074 -6.966 -9.005 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -7.248 -5.682 -8.794 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -8.367 -7.436 -10.128 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -8.351 -7.219 -11.881 1.00 0.00 H new ATOM 886 N LEU A 56 -4.484 -6.609 -6.225 1.00 0.00 N ATOM 887 CA LEU A 56 -4.144 -7.899 -5.651 1.00 0.00 C ATOM 888 C LEU A 56 -5.169 -8.941 -6.104 1.00 0.00 C ATOM 889 O LEU A 56 -6.373 -8.730 -5.970 1.00 0.00 O ATOM 890 CB LEU A 56 -4.008 -7.790 -4.131 1.00 0.00 C ATOM 891 CG LEU A 56 -3.439 -9.018 -3.418 1.00 0.00 C ATOM 892 CD1 LEU A 56 -4.524 -10.073 -3.193 1.00 0.00 C ATOM 893 CD2 LEU A 56 -2.238 -9.585 -4.177 1.00 0.00 C ATOM 0 H LEU A 56 -4.910 -5.951 -5.573 1.00 0.00 H new ATOM 0 HA LEU A 56 -3.171 -8.232 -6.012 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -3.371 -6.935 -3.904 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.991 -7.575 -3.713 1.00 0.00 H new ATOM 0 HG LEU A 56 -3.082 -8.708 -2.436 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -4.093 -10.935 -2.685 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -5.320 -9.651 -2.580 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -4.933 -10.385 -4.154 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.853 -10.457 -3.649 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -2.546 -9.876 -5.181 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.458 -8.827 -4.243 1.00 0.00 H new ATOM 905 N LYS A 57 -4.653 -10.042 -6.630 1.00 0.00 N ATOM 906 CA LYS A 57 -5.509 -11.117 -7.103 1.00 0.00 C ATOM 907 C LYS A 57 -5.048 -12.439 -6.485 1.00 0.00 C ATOM 908 O LYS A 57 -3.859 -12.754 -6.501 1.00 0.00 O ATOM 909 CB LYS A 57 -5.552 -11.134 -8.632 1.00 0.00 C ATOM 910 CG LYS A 57 -6.813 -11.837 -9.137 1.00 0.00 C ATOM 911 CD LYS A 57 -7.837 -10.823 -9.652 1.00 0.00 C ATOM 912 CE LYS A 57 -9.254 -11.396 -9.591 1.00 0.00 C ATOM 913 NZ LYS A 57 -10.115 -10.760 -10.614 1.00 0.00 N ATOM 0 H LYS A 57 -3.653 -10.213 -6.739 1.00 0.00 H new ATOM 0 HA LYS A 57 -6.538 -10.956 -6.781 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -5.524 -10.113 -9.012 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -4.669 -11.642 -9.019 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -6.551 -12.532 -9.935 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -7.252 -12.426 -8.332 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -7.783 -9.912 -9.056 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -7.596 -10.547 -10.679 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -9.224 -12.474 -9.751 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -9.676 -11.233 -8.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -11.073 -11.160 -10.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -10.158 -9.735 -10.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -9.720 -10.937 -11.559 1.00 0.00 H new ATOM 927 N SER A 58 -6.013 -13.176 -5.956 1.00 0.00 N ATOM 928 CA SER A 58 -5.722 -14.457 -5.335 1.00 0.00 C ATOM 929 C SER A 58 -5.721 -15.563 -6.392 1.00 0.00 C ATOM 930 O SER A 58 -6.295 -15.399 -7.468 1.00 0.00 O ATOM 931 CB SER A 58 -6.733 -14.777 -4.232 1.00 0.00 C ATOM 932 OG SER A 58 -7.972 -14.102 -4.431 1.00 0.00 O ATOM 0 H SER A 58 -6.998 -12.911 -5.945 1.00 0.00 H new ATOM 0 HA SER A 58 -4.734 -14.399 -4.879 1.00 0.00 H new ATOM 0 HB2 SER A 58 -6.907 -15.853 -4.201 1.00 0.00 H new ATOM 0 HB3 SER A 58 -6.317 -14.493 -3.265 1.00 0.00 H new ATOM 0 HG SER A 58 -8.640 -14.452 -3.805 1.00 0.00 H new ATOM 938 N ALA A 59 -5.072 -16.666 -6.048 1.00 0.00 N ATOM 939 CA ALA A 59 -4.989 -17.799 -6.954 1.00 0.00 C ATOM 940 C ALA A 59 -6.393 -18.356 -7.196 1.00 0.00 C ATOM 941 O ALA A 59 -6.599 -19.157 -8.106 1.00 0.00 O ATOM 942 CB ALA A 59 -4.038 -18.848 -6.374 1.00 0.00 C ATOM 0 H ALA A 59 -4.599 -16.799 -5.154 1.00 0.00 H new ATOM 0 HA ALA A 59 -4.585 -17.491 -7.918 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -3.976 -19.698 -7.054 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -3.047 -18.411 -6.248 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.412 -19.183 -5.407 1.00 0.00 H new ATOM 948 N ASN A 60 -7.324 -17.908 -6.366 1.00 0.00 N ATOM 949 CA ASN A 60 -8.703 -18.352 -6.479 1.00 0.00 C ATOM 950 C ASN A 60 -8.810 -19.799 -5.993 1.00 0.00 C ATOM 951 O ASN A 60 -9.536 -20.086 -5.043 1.00 0.00 O ATOM 952 CB ASN A 60 -9.180 -18.304 -7.932 1.00 0.00 C ATOM 953 CG ASN A 60 -8.793 -16.980 -8.593 1.00 0.00 C ATOM 954 OD1 ASN A 60 -8.645 -15.955 -7.949 1.00 0.00 O ATOM 955 ND2 ASN A 60 -8.637 -17.059 -9.911 1.00 0.00 N ATOM 0 H ASN A 60 -7.150 -17.242 -5.613 1.00 0.00 H new ATOM 0 HA ASN A 60 -9.321 -17.688 -5.875 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -8.744 -19.134 -8.489 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -10.262 -18.430 -7.968 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -8.378 -16.229 -10.445 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -8.776 -17.949 -10.389 1.00 0.00 H new ATOM 962 N THR A 61 -8.077 -20.672 -6.668 1.00 0.00 N ATOM 963 CA THR A 61 -8.080 -22.082 -6.317 1.00 0.00 C ATOM 964 C THR A 61 -7.456 -22.289 -4.936 1.00 0.00 C ATOM 965 O THR A 61 -6.330 -22.772 -4.826 1.00 0.00 O ATOM 966 CB THR A 61 -7.362 -22.848 -7.430 1.00 0.00 C ATOM 967 OG1 THR A 61 -6.044 -22.305 -7.430 1.00 0.00 O ATOM 968 CG2 THR A 61 -7.905 -22.508 -8.820 1.00 0.00 C ATOM 0 H THR A 61 -7.477 -20.430 -7.456 1.00 0.00 H new ATOM 0 HA THR A 61 -9.096 -22.469 -6.241 1.00 0.00 H new ATOM 0 HB THR A 61 -7.460 -23.919 -7.255 1.00 0.00 H new ATOM 0 HG1 THR A 61 -5.639 -22.430 -6.546 1.00 0.00 H new ATOM 0 HG21 THR A 61 -7.361 -23.079 -9.573 1.00 0.00 H new ATOM 0 HG22 THR A 61 -8.964 -22.761 -8.869 1.00 0.00 H new ATOM 0 HG23 THR A 61 -7.777 -21.442 -9.010 1.00 0.00 H new ATOM 976 N GLY A 62 -8.215 -21.914 -3.917 1.00 0.00 N ATOM 977 CA GLY A 62 -7.750 -22.053 -2.547 1.00 0.00 C ATOM 978 C GLY A 62 -8.928 -22.124 -1.573 1.00 0.00 C ATOM 979 O GLY A 62 -9.962 -22.711 -1.886 1.00 0.00 O ATOM 0 H GLY A 62 -9.149 -21.514 -4.012 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -7.143 -22.953 -2.455 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -7.110 -21.209 -2.289 1.00 0.00 H new ATOM 983 N ASN A 63 -8.732 -21.517 -0.412 1.00 0.00 N ATOM 984 CA ASN A 63 -9.765 -21.504 0.610 1.00 0.00 C ATOM 985 C ASN A 63 -10.066 -20.057 1.006 1.00 0.00 C ATOM 986 O ASN A 63 -11.225 -19.647 1.036 1.00 0.00 O ATOM 987 CB ASN A 63 -9.308 -22.252 1.864 1.00 0.00 C ATOM 988 CG ASN A 63 -10.363 -23.266 2.311 1.00 0.00 C ATOM 989 OD1 ASN A 63 -11.492 -23.270 1.851 1.00 0.00 O ATOM 990 ND2 ASN A 63 -9.931 -24.124 3.232 1.00 0.00 N ATOM 0 H ASN A 63 -7.873 -21.030 -0.156 1.00 0.00 H new ATOM 0 HA ASN A 63 -10.650 -21.992 0.202 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -8.367 -22.765 1.664 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -9.118 -21.540 2.668 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -10.559 -24.841 3.596 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -8.972 -24.065 3.574 1.00 0.00 H new ATOM 997 N ASN A 64 -9.003 -19.323 1.299 1.00 0.00 N ATOM 998 CA ASN A 64 -9.139 -17.931 1.692 1.00 0.00 C ATOM 999 C ASN A 64 -9.220 -17.058 0.438 1.00 0.00 C ATOM 1000 O ASN A 64 -8.535 -16.041 0.340 1.00 0.00 O ATOM 1001 CB ASN A 64 -7.933 -17.470 2.512 1.00 0.00 C ATOM 1002 CG ASN A 64 -6.625 -17.961 1.888 1.00 0.00 C ATOM 1003 OD1 ASN A 64 -5.971 -17.267 1.127 1.00 0.00 O ATOM 1004 ND2 ASN A 64 -6.282 -19.194 2.252 1.00 0.00 N ATOM 0 H ASN A 64 -8.043 -19.666 1.272 1.00 0.00 H new ATOM 0 HA ASN A 64 -10.042 -17.837 2.295 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -7.925 -16.382 2.573 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -8.017 -17.846 3.532 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -5.425 -19.613 1.890 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -6.876 -19.720 2.893 1.00 0.00 H new ATOM 1011 N GLU A 65 -10.065 -17.486 -0.488 1.00 0.00 N ATOM 1012 CA GLU A 65 -10.245 -16.756 -1.731 1.00 0.00 C ATOM 1013 C GLU A 65 -11.213 -15.589 -1.526 1.00 0.00 C ATOM 1014 O GLU A 65 -10.830 -14.428 -1.665 1.00 0.00 O ATOM 1015 CB GLU A 65 -10.733 -17.683 -2.846 1.00 0.00 C ATOM 1016 CG GLU A 65 -11.026 -16.896 -4.125 1.00 0.00 C ATOM 1017 CD GLU A 65 -12.353 -16.144 -4.014 1.00 0.00 C ATOM 1018 OE1 GLU A 65 -13.390 -16.835 -3.907 1.00 0.00 O ATOM 1019 OE2 GLU A 65 -12.302 -14.895 -4.040 1.00 0.00 O ATOM 0 H GLU A 65 -10.633 -18.329 -0.402 1.00 0.00 H new ATOM 0 HA GLU A 65 -9.279 -16.353 -2.035 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -9.979 -18.444 -3.048 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -11.633 -18.205 -2.522 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -10.218 -16.189 -4.314 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -11.060 -17.577 -4.976 1.00 0.00 H new ATOM 1026 N ARG A 66 -12.449 -15.937 -1.199 1.00 0.00 N ATOM 1027 CA ARG A 66 -13.474 -14.933 -0.973 1.00 0.00 C ATOM 1028 C ARG A 66 -13.015 -13.935 0.092 1.00 0.00 C ATOM 1029 O ARG A 66 -13.266 -12.737 -0.026 1.00 0.00 O ATOM 1030 CB ARG A 66 -14.788 -15.578 -0.525 1.00 0.00 C ATOM 1031 CG ARG A 66 -15.821 -14.514 -0.149 1.00 0.00 C ATOM 1032 CD ARG A 66 -16.796 -14.265 -1.301 1.00 0.00 C ATOM 1033 NE ARG A 66 -17.412 -12.927 -1.163 1.00 0.00 N ATOM 1034 CZ ARG A 66 -18.442 -12.493 -1.902 1.00 0.00 C ATOM 1035 NH1 ARG A 66 -18.977 -13.290 -2.837 1.00 0.00 N ATOM 1036 NH2 ARG A 66 -18.936 -11.263 -1.708 1.00 0.00 N ATOM 0 H ARG A 66 -12.763 -16.901 -1.085 1.00 0.00 H new ATOM 0 HA ARG A 66 -13.641 -14.412 -1.916 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -15.181 -16.205 -1.326 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -14.605 -16.230 0.329 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -16.372 -14.833 0.736 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -15.313 -13.585 0.110 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -16.272 -14.336 -2.254 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -17.570 -15.032 -1.305 1.00 0.00 H new ATOM 0 HE ARG A 66 -17.028 -12.295 -0.461 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -18.600 -14.226 -2.986 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -19.761 -12.961 -3.400 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -18.528 -10.656 -0.997 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -19.720 -10.934 -2.271 1.00 0.00 H new ATOM 1050 N ILE A 67 -12.350 -14.467 1.108 1.00 0.00 N ATOM 1051 CA ILE A 67 -11.854 -13.638 2.193 1.00 0.00 C ATOM 1052 C ILE A 67 -10.874 -12.605 1.632 1.00 0.00 C ATOM 1053 O ILE A 67 -10.985 -11.415 1.926 1.00 0.00 O ATOM 1054 CB ILE A 67 -11.262 -14.507 3.304 1.00 0.00 C ATOM 1055 CG1 ILE A 67 -11.406 -13.828 4.667 1.00 0.00 C ATOM 1056 CG2 ILE A 67 -9.809 -14.875 2.997 1.00 0.00 C ATOM 1057 CD1 ILE A 67 -10.335 -12.753 4.860 1.00 0.00 C ATOM 0 H ILE A 67 -12.144 -15.461 1.202 1.00 0.00 H new ATOM 0 HA ILE A 67 -12.672 -13.085 2.655 1.00 0.00 H new ATOM 0 HB ILE A 67 -11.827 -15.438 3.347 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -12.396 -13.379 4.751 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -11.325 -14.573 5.459 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -9.412 -15.493 3.803 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -9.764 -15.429 2.059 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -9.214 -13.966 2.910 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -10.460 -12.286 5.837 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -9.347 -13.209 4.800 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -10.434 -11.997 4.081 1.00 0.00 H new ATOM 1069 N ILE A 68 -9.937 -13.097 0.836 1.00 0.00 N ATOM 1070 CA ILE A 68 -8.938 -12.232 0.232 1.00 0.00 C ATOM 1071 C ILE A 68 -9.633 -11.033 -0.418 1.00 0.00 C ATOM 1072 O ILE A 68 -9.108 -9.921 -0.399 1.00 0.00 O ATOM 1073 CB ILE A 68 -8.053 -13.025 -0.732 1.00 0.00 C ATOM 1074 CG1 ILE A 68 -6.627 -13.150 -0.191 1.00 0.00 C ATOM 1075 CG2 ILE A 68 -8.083 -12.414 -2.134 1.00 0.00 C ATOM 1076 CD1 ILE A 68 -6.552 -14.201 0.918 1.00 0.00 C ATOM 0 H ILE A 68 -9.848 -14.084 0.595 1.00 0.00 H new ATOM 0 HA ILE A 68 -8.266 -11.838 0.994 1.00 0.00 H new ATOM 0 HB ILE A 68 -8.456 -14.034 -0.813 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -5.949 -13.421 -1.001 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -6.294 -12.186 0.194 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -7.446 -12.997 -2.799 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -9.105 -12.422 -2.512 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -7.720 -11.387 -2.091 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -5.528 -14.270 1.285 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -7.212 -13.914 1.736 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -6.862 -15.169 0.524 1.00 0.00 H new ATOM 1088 N ASN A 69 -10.805 -11.301 -0.976 1.00 0.00 N ATOM 1089 CA ASN A 69 -11.577 -10.258 -1.630 1.00 0.00 C ATOM 1090 C ASN A 69 -11.802 -9.105 -0.650 1.00 0.00 C ATOM 1091 O ASN A 69 -12.091 -7.983 -1.062 1.00 0.00 O ATOM 1092 CB ASN A 69 -12.947 -10.780 -2.068 1.00 0.00 C ATOM 1093 CG ASN A 69 -13.278 -10.327 -3.491 1.00 0.00 C ATOM 1094 OD1 ASN A 69 -14.062 -9.419 -3.715 1.00 0.00 O ATOM 1095 ND2 ASN A 69 -12.637 -11.007 -4.438 1.00 0.00 N ATOM 0 H ASN A 69 -11.238 -12.224 -0.989 1.00 0.00 H new ATOM 0 HA ASN A 69 -11.020 -9.926 -2.506 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -12.958 -11.869 -2.017 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -13.713 -10.421 -1.381 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -12.789 -10.779 -5.421 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -11.994 -11.756 -4.181 1.00 0.00 H new ATOM 1102 N VAL A 70 -11.660 -9.421 0.629 1.00 0.00 N ATOM 1103 CA VAL A 70 -11.844 -8.426 1.671 1.00 0.00 C ATOM 1104 C VAL A 70 -10.632 -7.492 1.698 1.00 0.00 C ATOM 1105 O VAL A 70 -10.760 -6.311 2.017 1.00 0.00 O ATOM 1106 CB VAL A 70 -12.098 -9.114 3.013 1.00 0.00 C ATOM 1107 CG1 VAL A 70 -13.088 -10.270 2.858 1.00 0.00 C ATOM 1108 CG2 VAL A 70 -10.788 -9.595 3.640 1.00 0.00 C ATOM 0 H VAL A 70 -11.419 -10.353 0.967 1.00 0.00 H new ATOM 0 HA VAL A 70 -12.722 -7.814 1.464 1.00 0.00 H new ATOM 0 HB VAL A 70 -12.542 -8.380 3.686 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -13.251 -10.742 3.827 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -14.035 -9.889 2.476 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -12.684 -11.004 2.160 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -10.998 -10.080 4.593 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -10.303 -10.305 2.970 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -10.129 -8.743 3.804 1.00 0.00 H new ATOM 1118 N SER A 71 -9.482 -8.057 1.358 1.00 0.00 N ATOM 1119 CA SER A 71 -8.248 -7.290 1.340 1.00 0.00 C ATOM 1120 C SER A 71 -8.209 -6.392 0.102 1.00 0.00 C ATOM 1121 O SER A 71 -7.362 -5.506 0.000 1.00 0.00 O ATOM 1122 CB SER A 71 -7.027 -8.211 1.365 1.00 0.00 C ATOM 1123 OG SER A 71 -6.762 -8.710 2.674 1.00 0.00 O ATOM 0 H SER A 71 -9.379 -9.037 1.093 1.00 0.00 H new ATOM 0 HA SER A 71 -8.219 -6.668 2.234 1.00 0.00 H new ATOM 0 HB2 SER A 71 -7.189 -9.047 0.684 1.00 0.00 H new ATOM 0 HB3 SER A 71 -6.155 -7.668 1.001 1.00 0.00 H new ATOM 0 HG SER A 71 -5.863 -8.437 2.953 1.00 0.00 H new ATOM 1129 N ILE A 72 -9.137 -6.651 -0.808 1.00 0.00 N ATOM 1130 CA ILE A 72 -9.219 -5.877 -2.035 1.00 0.00 C ATOM 1131 C ILE A 72 -9.715 -4.466 -1.710 1.00 0.00 C ATOM 1132 O ILE A 72 -8.968 -3.497 -1.840 1.00 0.00 O ATOM 1133 CB ILE A 72 -10.075 -6.606 -3.072 1.00 0.00 C ATOM 1134 CG1 ILE A 72 -9.672 -8.078 -3.179 1.00 0.00 C ATOM 1135 CG2 ILE A 72 -10.019 -5.896 -4.426 1.00 0.00 C ATOM 1136 CD1 ILE A 72 -8.274 -8.221 -3.783 1.00 0.00 C ATOM 0 H ILE A 72 -9.839 -7.386 -0.720 1.00 0.00 H new ATOM 0 HA ILE A 72 -8.232 -5.773 -2.487 1.00 0.00 H new ATOM 0 HB ILE A 72 -11.112 -6.580 -2.738 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -9.694 -8.537 -2.191 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -10.395 -8.613 -3.795 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -10.636 -6.435 -5.145 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -10.392 -4.878 -4.319 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -8.989 -5.869 -4.780 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -8.012 -9.277 -3.848 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -8.262 -7.782 -4.781 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -7.550 -7.706 -3.151 1.00 0.00 H new ATOM 1148 N LYS A 73 -10.971 -4.396 -1.295 1.00 0.00 N ATOM 1149 CA LYS A 73 -11.575 -3.120 -0.950 1.00 0.00 C ATOM 1150 C LYS A 73 -10.543 -2.250 -0.230 1.00 0.00 C ATOM 1151 O LYS A 73 -10.249 -1.138 -0.667 1.00 0.00 O ATOM 1152 CB LYS A 73 -12.863 -3.334 -0.153 1.00 0.00 C ATOM 1153 CG LYS A 73 -14.076 -3.414 -1.082 1.00 0.00 C ATOM 1154 CD LYS A 73 -14.569 -4.856 -1.218 1.00 0.00 C ATOM 1155 CE LYS A 73 -16.048 -4.895 -1.608 1.00 0.00 C ATOM 1156 NZ LYS A 73 -16.902 -4.640 -0.427 1.00 0.00 N ATOM 0 H LYS A 73 -11.587 -5.202 -1.190 1.00 0.00 H new ATOM 0 HA LYS A 73 -11.872 -2.583 -1.851 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -12.786 -4.252 0.430 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -12.996 -2.517 0.556 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -14.878 -2.787 -0.693 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -13.813 -3.022 -2.064 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -13.977 -5.377 -1.970 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -14.424 -5.384 -0.276 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -16.247 -4.148 -2.376 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -16.292 -5.867 -2.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -17.900 -4.787 -0.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -16.640 -5.294 0.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -16.767 -3.660 -0.106 1.00 0.00 H new ATOM 1170 N LYS A 74 -10.021 -2.789 0.862 1.00 0.00 N ATOM 1171 CA LYS A 74 -9.028 -2.076 1.648 1.00 0.00 C ATOM 1172 C LYS A 74 -7.849 -1.697 0.749 1.00 0.00 C ATOM 1173 O LYS A 74 -7.611 -0.518 0.495 1.00 0.00 O ATOM 1174 CB LYS A 74 -8.627 -2.895 2.876 1.00 0.00 C ATOM 1175 CG LYS A 74 -9.566 -2.617 4.051 1.00 0.00 C ATOM 1176 CD LYS A 74 -10.796 -3.526 3.998 1.00 0.00 C ATOM 1177 CE LYS A 74 -11.674 -3.334 5.236 1.00 0.00 C ATOM 1178 NZ LYS A 74 -11.435 -4.418 6.214 1.00 0.00 N ATOM 0 H LYS A 74 -10.267 -3.711 1.221 1.00 0.00 H new ATOM 0 HA LYS A 74 -9.445 -1.147 2.036 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -8.649 -3.957 2.632 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -7.603 -2.654 3.160 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -9.035 -2.772 4.990 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -9.880 -1.573 4.031 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -11.375 -3.309 3.100 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -10.480 -4.567 3.930 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -11.460 -2.369 5.695 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -12.725 -3.323 4.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -12.332 -4.674 6.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -11.048 -5.249 5.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -10.757 -4.094 6.933 1.00 0.00 H new ATOM 1192 N LEU A 75 -7.142 -2.721 0.292 1.00 0.00 N ATOM 1193 CA LEU A 75 -5.993 -2.510 -0.572 1.00 0.00 C ATOM 1194 C LEU A 75 -6.324 -1.422 -1.596 1.00 0.00 C ATOM 1195 O LEU A 75 -5.529 -0.509 -1.814 1.00 0.00 O ATOM 1196 CB LEU A 75 -5.548 -3.832 -1.202 1.00 0.00 C ATOM 1197 CG LEU A 75 -4.504 -3.726 -2.315 1.00 0.00 C ATOM 1198 CD1 LEU A 75 -3.198 -4.412 -1.910 1.00 0.00 C ATOM 1199 CD2 LEU A 75 -5.052 -4.272 -3.635 1.00 0.00 C ATOM 0 H LEU A 75 -7.343 -3.698 0.504 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.140 -2.155 0.007 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -5.147 -4.470 -0.415 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -6.428 -4.335 -1.603 1.00 0.00 H new ATOM 0 HG LEU A 75 -4.278 -2.671 -2.471 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -2.473 -4.322 -2.719 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.801 -3.937 -1.013 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -3.388 -5.466 -1.709 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -4.290 -4.185 -4.409 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -5.324 -5.320 -3.510 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.933 -3.701 -3.927 1.00 0.00 H new ATOM 1211 N LYS A 76 -7.497 -1.556 -2.197 1.00 0.00 N ATOM 1212 CA LYS A 76 -7.942 -0.595 -3.192 1.00 0.00 C ATOM 1213 C LYS A 76 -8.257 0.735 -2.505 1.00 0.00 C ATOM 1214 O LYS A 76 -9.399 1.192 -2.524 1.00 0.00 O ATOM 1215 CB LYS A 76 -9.111 -1.163 -3.999 1.00 0.00 C ATOM 1216 CG LYS A 76 -8.640 -2.272 -4.941 1.00 0.00 C ATOM 1217 CD LYS A 76 -9.708 -2.593 -5.989 1.00 0.00 C ATOM 1218 CE LYS A 76 -9.566 -1.684 -7.212 1.00 0.00 C ATOM 1219 NZ LYS A 76 -10.720 -1.856 -8.122 1.00 0.00 N ATOM 0 H LYS A 76 -8.153 -2.315 -2.014 1.00 0.00 H new ATOM 0 HA LYS A 76 -7.150 -0.400 -3.915 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -9.869 -1.555 -3.321 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -9.580 -0.366 -4.576 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -7.719 -1.966 -5.437 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -8.409 -3.169 -4.366 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -9.621 -3.636 -6.294 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -10.699 -2.470 -5.553 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -9.498 -0.644 -6.893 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -8.641 -1.916 -7.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -10.608 -1.232 -8.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -10.767 -2.845 -8.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -11.597 -1.612 -7.620 1.00 0.00 H new ATOM 1233 N ARG A 77 -7.224 1.319 -1.915 1.00 0.00 N ATOM 1234 CA ARG A 77 -7.377 2.588 -1.224 1.00 0.00 C ATOM 1235 C ARG A 77 -7.203 3.750 -2.204 1.00 0.00 C ATOM 1236 O ARG A 77 -6.576 3.596 -3.251 1.00 0.00 O ATOM 1237 CB ARG A 77 -6.355 2.726 -0.094 1.00 0.00 C ATOM 1238 CG ARG A 77 -6.940 3.509 1.083 1.00 0.00 C ATOM 1239 CD ARG A 77 -7.786 2.603 1.979 1.00 0.00 C ATOM 1240 NE ARG A 77 -9.218 2.948 1.841 1.00 0.00 N ATOM 1241 CZ ARG A 77 -10.202 2.367 2.540 1.00 0.00 C ATOM 1242 NH1 ARG A 77 -9.915 1.408 3.430 1.00 0.00 N ATOM 1243 NH2 ARG A 77 -11.474 2.745 2.349 1.00 0.00 N ATOM 0 H ARG A 77 -6.278 0.937 -1.901 1.00 0.00 H new ATOM 0 HA ARG A 77 -8.380 2.615 -0.797 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -6.043 1.737 0.242 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -5.464 3.232 -0.465 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -6.133 3.952 1.666 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -7.552 4.330 0.710 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -7.627 1.559 1.708 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -7.476 2.713 3.018 1.00 0.00 H new ATOM 0 HE ARG A 77 -9.472 3.674 1.171 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -8.947 1.120 3.575 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -10.664 0.966 3.962 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -11.693 3.475 1.671 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -12.223 2.302 2.881 1.00 0.00 H new ATOM 1257 N LYS A 78 -7.770 4.888 -1.829 1.00 0.00 N ATOM 1258 CA LYS A 78 -7.686 6.076 -2.662 1.00 0.00 C ATOM 1259 C LYS A 78 -6.669 7.045 -2.058 1.00 0.00 C ATOM 1260 O LYS A 78 -6.657 7.265 -0.847 1.00 0.00 O ATOM 1261 CB LYS A 78 -9.074 6.687 -2.864 1.00 0.00 C ATOM 1262 CG LYS A 78 -9.671 7.145 -1.531 1.00 0.00 C ATOM 1263 CD LYS A 78 -9.741 8.671 -1.457 1.00 0.00 C ATOM 1264 CE LYS A 78 -11.179 9.144 -1.236 1.00 0.00 C ATOM 1265 NZ LYS A 78 -11.730 9.726 -2.481 1.00 0.00 N ATOM 0 H LYS A 78 -8.289 5.012 -0.960 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.328 5.819 -3.659 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -9.006 7.534 -3.547 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -9.734 5.954 -3.329 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -10.670 6.725 -1.413 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -9.066 6.765 -0.708 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -9.108 9.029 -0.645 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -9.350 9.102 -2.379 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -11.798 8.307 -0.914 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -11.206 9.886 -0.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -12.707 10.042 -2.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -11.148 10.538 -2.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -11.723 9.008 -3.233 1.00 0.00 H new ATOM 1279 N PRO A 79 -5.816 7.615 -2.952 1.00 0.00 N ATOM 1280 CA PRO A 79 -4.797 8.556 -2.519 1.00 0.00 C ATOM 1281 C PRO A 79 -5.413 9.917 -2.188 1.00 0.00 C ATOM 1282 O PRO A 79 -6.604 10.132 -2.404 1.00 0.00 O ATOM 1283 CB PRO A 79 -3.805 8.617 -3.670 1.00 0.00 C ATOM 1284 CG PRO A 79 -4.540 8.071 -4.883 1.00 0.00 C ATOM 1285 CD PRO A 79 -5.800 7.378 -4.392 1.00 0.00 C ATOM 0 HA PRO A 79 -4.301 8.247 -1.599 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -3.471 9.640 -3.844 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -2.917 8.024 -3.452 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -4.792 8.878 -5.572 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -3.908 7.371 -5.429 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -6.689 7.788 -4.871 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -5.779 6.312 -4.618 1.00 0.00 H new ATOM 1293 N PRO A 80 -4.551 10.823 -1.654 1.00 0.00 N ATOM 1294 CA PRO A 80 -4.997 12.157 -1.291 1.00 0.00 C ATOM 1295 C PRO A 80 -5.196 13.026 -2.534 1.00 0.00 C ATOM 1296 O PRO A 80 -4.484 14.010 -2.728 1.00 0.00 O ATOM 1297 CB PRO A 80 -3.923 12.691 -0.358 1.00 0.00 C ATOM 1298 CG PRO A 80 -2.694 11.829 -0.600 1.00 0.00 C ATOM 1299 CD PRO A 80 -3.133 10.603 -1.384 1.00 0.00 C ATOM 0 HA PRO A 80 -5.969 12.156 -0.798 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -3.711 13.740 -0.566 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -4.244 12.631 0.682 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -1.939 12.387 -1.154 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -2.241 11.535 0.347 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -2.565 10.500 -2.309 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -2.976 9.689 -0.811 1.00 0.00 H new ATOM 1307 N SER A 81 -6.168 12.632 -3.343 1.00 0.00 N ATOM 1308 CA SER A 81 -6.470 13.363 -4.562 1.00 0.00 C ATOM 1309 C SER A 81 -5.173 13.730 -5.286 1.00 0.00 C ATOM 1310 O SER A 81 -4.979 14.882 -5.673 1.00 0.00 O ATOM 1311 CB SER A 81 -7.285 14.622 -4.262 1.00 0.00 C ATOM 1312 OG SER A 81 -8.491 14.324 -3.563 1.00 0.00 O ATOM 0 H SER A 81 -6.757 11.816 -3.178 1.00 0.00 H new ATOM 0 HA SER A 81 -7.070 12.720 -5.207 1.00 0.00 H new ATOM 0 HB2 SER A 81 -6.683 15.311 -3.669 1.00 0.00 H new ATOM 0 HB3 SER A 81 -7.524 15.130 -5.196 1.00 0.00 H new ATOM 0 HG SER A 81 -8.982 15.154 -3.389 1.00 0.00 H new ATOM 1318 N THR A 82 -4.320 12.730 -5.448 1.00 0.00 N ATOM 1319 CA THR A 82 -3.047 12.934 -6.119 1.00 0.00 C ATOM 1320 C THR A 82 -2.327 11.598 -6.315 1.00 0.00 C ATOM 1321 O THR A 82 -1.183 11.438 -5.894 1.00 0.00 O ATOM 1322 CB THR A 82 -2.239 13.946 -5.304 1.00 0.00 C ATOM 1323 OG1 THR A 82 -1.173 14.319 -6.173 1.00 0.00 O ATOM 1324 CG2 THR A 82 -1.537 13.305 -4.105 1.00 0.00 C ATOM 0 H THR A 82 -4.485 11.776 -5.126 1.00 0.00 H new ATOM 0 HA THR A 82 -3.189 13.341 -7.120 1.00 0.00 H new ATOM 0 HB THR A 82 -2.898 14.741 -4.955 1.00 0.00 H new ATOM 0 HG1 THR A 82 -1.041 15.289 -6.131 1.00 0.00 H new ATOM 0 HG21 THR A 82 -0.978 14.066 -3.561 1.00 0.00 H new ATOM 0 HG22 THR A 82 -2.280 12.859 -3.444 1.00 0.00 H new ATOM 0 HG23 THR A 82 -0.852 12.533 -4.455 1.00 0.00 H new ATOM 1332 N ASN A 83 -3.028 10.672 -6.953 1.00 0.00 N ATOM 1333 CA ASN A 83 -2.471 9.355 -7.209 1.00 0.00 C ATOM 1334 C ASN A 83 -1.204 9.498 -8.056 1.00 0.00 C ATOM 1335 O ASN A 83 -0.139 9.017 -7.672 1.00 0.00 O ATOM 1336 CB ASN A 83 -3.459 8.479 -7.982 1.00 0.00 C ATOM 1337 CG ASN A 83 -4.163 9.282 -9.078 1.00 0.00 C ATOM 1338 OD1 ASN A 83 -3.647 9.481 -10.166 1.00 0.00 O ATOM 1339 ND2 ASN A 83 -5.366 9.730 -8.733 1.00 0.00 N ATOM 0 H ASN A 83 -3.977 10.808 -7.300 1.00 0.00 H new ATOM 0 HA ASN A 83 -2.252 8.889 -6.248 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -2.932 7.635 -8.427 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -4.199 8.067 -7.296 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -5.916 10.276 -9.396 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -5.739 9.527 -7.805 1.00 0.00 H new ATOM 1346 N ALA A 84 -1.362 10.162 -9.192 1.00 0.00 N ATOM 1347 CA ALA A 84 -0.244 10.375 -10.096 1.00 0.00 C ATOM 1348 C ALA A 84 0.178 9.035 -10.702 1.00 0.00 C ATOM 1349 O ALA A 84 0.407 8.067 -9.978 1.00 0.00 O ATOM 1350 CB ALA A 84 0.898 11.060 -9.343 1.00 0.00 C ATOM 0 H ALA A 84 -2.247 10.559 -9.507 1.00 0.00 H new ATOM 0 HA ALA A 84 -0.533 11.032 -10.917 1.00 0.00 H new ATOM 0 HB1 ALA A 84 1.737 11.220 -10.021 1.00 0.00 H new ATOM 0 HB2 ALA A 84 0.555 12.020 -8.957 1.00 0.00 H new ATOM 0 HB3 ALA A 84 1.217 10.429 -8.514 1.00 0.00 H new ATOM 1356 N GLY A 85 0.267 9.021 -12.024 1.00 0.00 N ATOM 1357 CA GLY A 85 0.657 7.816 -12.735 1.00 0.00 C ATOM 1358 C GLY A 85 0.694 8.058 -14.245 1.00 0.00 C ATOM 1359 O GLY A 85 0.294 7.196 -15.026 1.00 0.00 O ATOM 0 H GLY A 85 0.076 9.825 -12.621 1.00 0.00 H new ATOM 0 HA2 GLY A 85 1.638 7.488 -12.392 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -0.044 7.013 -12.509 1.00 0.00 H new ATOM 1363 N ARG A 86 1.177 9.236 -14.612 1.00 0.00 N ATOM 1364 CA ARG A 86 1.271 9.603 -16.014 1.00 0.00 C ATOM 1365 C ARG A 86 1.839 11.017 -16.156 1.00 0.00 C ATOM 1366 O ARG A 86 1.122 11.942 -16.535 1.00 0.00 O ATOM 1367 CB ARG A 86 -0.098 9.540 -16.693 1.00 0.00 C ATOM 1368 CG ARG A 86 0.046 9.293 -18.197 1.00 0.00 C ATOM 1369 CD ARG A 86 -1.062 10.002 -18.977 1.00 0.00 C ATOM 1370 NE ARG A 86 -1.275 9.329 -20.278 1.00 0.00 N ATOM 1371 CZ ARG A 86 -0.509 9.527 -21.360 1.00 0.00 C ATOM 1372 NH1 ARG A 86 0.524 10.378 -21.303 1.00 0.00 N ATOM 1373 NH2 ARG A 86 -0.776 8.873 -22.499 1.00 0.00 N ATOM 0 H ARG A 86 1.508 9.949 -13.962 1.00 0.00 H new ATOM 0 HA ARG A 86 1.937 8.890 -16.499 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -0.693 8.744 -16.246 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -0.635 10.473 -16.524 1.00 0.00 H new ATOM 0 HG2 ARG A 86 1.019 9.648 -18.536 1.00 0.00 H new ATOM 0 HG3 ARG A 86 0.010 8.222 -18.399 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -1.986 9.996 -18.399 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -0.794 11.046 -19.138 1.00 0.00 H new ATOM 0 HE ARG A 86 -2.053 8.674 -20.356 1.00 0.00 H new ATOM 0 HH11 ARG A 86 0.728 10.875 -20.436 1.00 0.00 H new ATOM 0 HH12 ARG A 86 1.107 10.529 -22.126 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -1.562 8.225 -22.543 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -0.193 9.024 -23.322 1.00 0.00 H new ATOM 1387 N ARG A 87 3.120 11.140 -15.844 1.00 0.00 N ATOM 1388 CA ARG A 87 3.792 12.426 -15.932 1.00 0.00 C ATOM 1389 C ARG A 87 2.818 13.557 -15.599 1.00 0.00 C ATOM 1390 O ARG A 87 1.865 13.360 -14.846 1.00 0.00 O ATOM 1391 CB ARG A 87 4.366 12.652 -17.332 1.00 0.00 C ATOM 1392 CG ARG A 87 3.276 13.105 -18.305 1.00 0.00 C ATOM 1393 CD ARG A 87 3.230 12.198 -19.537 1.00 0.00 C ATOM 1394 NE ARG A 87 4.072 12.764 -20.614 1.00 0.00 N ATOM 1395 CZ ARG A 87 3.721 13.813 -21.371 1.00 0.00 C ATOM 1396 NH1 ARG A 87 2.540 14.416 -21.173 1.00 0.00 N ATOM 1397 NH2 ARG A 87 4.549 14.258 -22.325 1.00 0.00 N ATOM 0 H ARG A 87 3.711 10.370 -15.530 1.00 0.00 H new ATOM 0 HA ARG A 87 4.610 12.423 -15.212 1.00 0.00 H new ATOM 0 HB2 ARG A 87 5.155 13.403 -17.289 1.00 0.00 H new ATOM 0 HB3 ARG A 87 4.822 11.731 -17.695 1.00 0.00 H new ATOM 0 HG2 ARG A 87 2.308 13.093 -17.804 1.00 0.00 H new ATOM 0 HG3 ARG A 87 3.463 14.134 -18.613 1.00 0.00 H new ATOM 0 HD2 ARG A 87 3.581 11.199 -19.277 1.00 0.00 H new ATOM 0 HD3 ARG A 87 2.202 12.094 -19.884 1.00 0.00 H new ATOM 0 HE ARG A 87 4.977 12.328 -20.792 1.00 0.00 H new ATOM 0 HH11 ARG A 87 1.909 14.076 -20.447 1.00 0.00 H new ATOM 0 HH12 ARG A 87 2.272 15.214 -21.749 1.00 0.00 H new ATOM 0 HH21 ARG A 87 5.447 13.799 -22.476 1.00 0.00 H new ATOM 0 HH22 ARG A 87 4.281 15.056 -22.901 1.00 0.00 H new ATOM 1411 N GLN A 88 3.090 14.719 -16.176 1.00 0.00 N ATOM 1412 CA GLN A 88 2.249 15.882 -15.949 1.00 0.00 C ATOM 1413 C GLN A 88 1.717 15.881 -14.515 1.00 0.00 C ATOM 1414 O GLN A 88 0.535 15.626 -14.287 1.00 0.00 O ATOM 1415 CB GLN A 88 1.102 15.934 -16.960 1.00 0.00 C ATOM 1416 CG GLN A 88 1.597 16.409 -18.327 1.00 0.00 C ATOM 1417 CD GLN A 88 0.813 17.636 -18.799 1.00 0.00 C ATOM 1418 OE1 GLN A 88 -0.141 18.072 -18.176 1.00 0.00 O ATOM 1419 NE2 GLN A 88 1.268 18.166 -19.930 1.00 0.00 N ATOM 0 H GLN A 88 3.881 14.880 -16.800 1.00 0.00 H new ATOM 0 HA GLN A 88 2.855 16.777 -16.090 1.00 0.00 H new ATOM 0 HB2 GLN A 88 0.652 14.946 -17.056 1.00 0.00 H new ATOM 0 HB3 GLN A 88 0.323 16.605 -16.598 1.00 0.00 H new ATOM 0 HG2 GLN A 88 2.658 16.651 -18.269 1.00 0.00 H new ATOM 0 HG3 GLN A 88 1.493 15.604 -19.055 1.00 0.00 H new ATOM 0 HE21 GLN A 88 2.072 17.751 -20.401 1.00 0.00 H new ATOM 0 HE22 GLN A 88 0.813 18.988 -20.327 1.00 0.00 H new ATOM 1428 N LYS A 89 2.615 16.170 -13.584 1.00 0.00 N ATOM 1429 CA LYS A 89 2.250 16.205 -12.178 1.00 0.00 C ATOM 1430 C LYS A 89 3.277 17.041 -11.410 1.00 0.00 C ATOM 1431 O LYS A 89 4.465 17.017 -11.729 1.00 0.00 O ATOM 1432 CB LYS A 89 2.081 14.786 -11.632 1.00 0.00 C ATOM 1433 CG LYS A 89 1.001 14.740 -10.549 1.00 0.00 C ATOM 1434 CD LYS A 89 1.613 14.451 -9.177 1.00 0.00 C ATOM 1435 CE LYS A 89 0.532 14.064 -8.165 1.00 0.00 C ATOM 1436 NZ LYS A 89 1.143 13.706 -6.866 1.00 0.00 N ATOM 0 H LYS A 89 3.594 16.382 -13.776 1.00 0.00 H new ATOM 0 HA LYS A 89 1.282 16.689 -12.048 1.00 0.00 H new ATOM 0 HB2 LYS A 89 1.816 14.109 -12.444 1.00 0.00 H new ATOM 0 HB3 LYS A 89 3.028 14.435 -11.221 1.00 0.00 H new ATOM 0 HG2 LYS A 89 0.468 15.691 -10.521 1.00 0.00 H new ATOM 0 HG3 LYS A 89 0.268 13.971 -10.794 1.00 0.00 H new ATOM 0 HD2 LYS A 89 2.342 13.645 -9.262 1.00 0.00 H new ATOM 0 HD3 LYS A 89 2.151 15.330 -8.822 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -0.162 14.893 -8.031 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -0.046 13.222 -8.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 0.458 13.874 -6.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 1.413 12.702 -6.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 1.988 14.291 -6.707 1.00 0.00 H new ATOM 1450 N HIS A 90 2.781 17.760 -10.414 1.00 0.00 N ATOM 1451 CA HIS A 90 3.641 18.601 -9.598 1.00 0.00 C ATOM 1452 C HIS A 90 3.529 18.179 -8.132 1.00 0.00 C ATOM 1453 O HIS A 90 3.427 16.992 -7.829 1.00 0.00 O ATOM 1454 CB HIS A 90 3.318 20.080 -9.817 1.00 0.00 C ATOM 1455 CG HIS A 90 4.468 21.011 -9.514 1.00 0.00 C ATOM 1456 ND1 HIS A 90 4.633 22.230 -10.148 1.00 0.00 N ATOM 1457 CD2 HIS A 90 5.507 20.889 -8.639 1.00 0.00 C ATOM 1458 CE1 HIS A 90 5.726 22.806 -9.669 1.00 0.00 C ATOM 1459 NE2 HIS A 90 6.266 21.973 -8.734 1.00 0.00 N ATOM 0 H HIS A 90 1.795 17.778 -10.153 1.00 0.00 H new ATOM 0 HA HIS A 90 4.680 18.468 -9.899 1.00 0.00 H new ATOM 0 HB2 HIS A 90 3.010 20.225 -10.853 1.00 0.00 H new ATOM 0 HB3 HIS A 90 2.469 20.352 -9.191 1.00 0.00 H new ATOM 0 HD2 HIS A 90 5.682 20.051 -7.980 1.00 0.00 H new ATOM 0 HE1 HIS A 90 6.120 23.766 -9.967 1.00 0.00 H new ATOM 0 HE2 HIS A 90 7.114 22.154 -8.196 1.00 0.00 H new ATOM 1467 N ARG A 91 3.553 19.177 -7.260 1.00 0.00 N ATOM 1468 CA ARG A 91 3.456 18.925 -5.832 1.00 0.00 C ATOM 1469 C ARG A 91 4.790 18.405 -5.293 1.00 0.00 C ATOM 1470 O ARG A 91 5.332 18.953 -4.334 1.00 0.00 O ATOM 1471 CB ARG A 91 2.358 17.903 -5.526 1.00 0.00 C ATOM 1472 CG ARG A 91 1.345 18.469 -4.530 1.00 0.00 C ATOM 1473 CD ARG A 91 0.423 17.369 -4.000 1.00 0.00 C ATOM 1474 NE ARG A 91 -0.745 17.971 -3.319 1.00 0.00 N ATOM 1475 CZ ARG A 91 -0.683 18.603 -2.139 1.00 0.00 C ATOM 1476 NH1 ARG A 91 0.491 18.719 -1.502 1.00 0.00 N ATOM 1477 NH2 ARG A 91 -1.794 19.119 -1.596 1.00 0.00 N ATOM 0 H ARG A 91 3.638 20.161 -7.515 1.00 0.00 H new ATOM 0 HA ARG A 91 3.206 19.868 -5.346 1.00 0.00 H new ATOM 0 HB2 ARG A 91 1.849 17.623 -6.448 1.00 0.00 H new ATOM 0 HB3 ARG A 91 2.804 16.995 -5.120 1.00 0.00 H new ATOM 0 HG2 ARG A 91 1.871 18.939 -3.699 1.00 0.00 H new ATOM 0 HG3 ARG A 91 0.751 19.245 -5.012 1.00 0.00 H new ATOM 0 HD2 ARG A 91 0.089 16.736 -4.822 1.00 0.00 H new ATOM 0 HD3 ARG A 91 0.968 16.729 -3.307 1.00 0.00 H new ATOM 0 HE ARG A 91 -1.654 17.900 -3.776 1.00 0.00 H new ATOM 0 HH11 ARG A 91 1.337 18.326 -1.916 1.00 0.00 H new ATOM 0 HH12 ARG A 91 0.539 19.200 -0.604 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -2.687 19.031 -2.081 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -1.747 19.600 -0.698 1.00 0.00 H new ATOM 1491 N LEU A 92 5.282 17.354 -5.932 1.00 0.00 N ATOM 1492 CA LEU A 92 6.542 16.755 -5.528 1.00 0.00 C ATOM 1493 C LEU A 92 7.302 16.289 -6.772 1.00 0.00 C ATOM 1494 O LEU A 92 6.771 15.529 -7.580 1.00 0.00 O ATOM 1495 CB LEU A 92 6.304 15.645 -4.502 1.00 0.00 C ATOM 1496 CG LEU A 92 4.989 14.874 -4.641 1.00 0.00 C ATOM 1497 CD1 LEU A 92 5.157 13.667 -5.566 1.00 0.00 C ATOM 1498 CD2 LEU A 92 4.441 14.474 -3.270 1.00 0.00 C ATOM 0 H LEU A 92 4.830 16.902 -6.727 1.00 0.00 H new ATOM 0 HA LEU A 92 7.170 17.491 -5.027 1.00 0.00 H new ATOM 0 HB2 LEU A 92 7.128 14.934 -4.568 1.00 0.00 H new ATOM 0 HB3 LEU A 92 6.341 16.085 -3.505 1.00 0.00 H new ATOM 0 HG LEU A 92 4.253 15.533 -5.102 1.00 0.00 H new ATOM 0 HD11 LEU A 92 4.208 13.136 -5.648 1.00 0.00 H new ATOM 0 HD12 LEU A 92 5.469 14.006 -6.554 1.00 0.00 H new ATOM 0 HD13 LEU A 92 5.913 12.997 -5.156 1.00 0.00 H new ATOM 0 HD21 LEU A 92 3.506 13.928 -3.397 1.00 0.00 H new ATOM 0 HD22 LEU A 92 5.166 13.840 -2.759 1.00 0.00 H new ATOM 0 HD23 LEU A 92 4.260 15.369 -2.675 1.00 0.00 H new ATOM 1510 N THR A 93 8.533 16.766 -6.887 1.00 0.00 N ATOM 1511 CA THR A 93 9.371 16.408 -8.019 1.00 0.00 C ATOM 1512 C THR A 93 9.600 14.896 -8.056 1.00 0.00 C ATOM 1513 O THR A 93 10.629 14.408 -7.590 1.00 0.00 O ATOM 1514 CB THR A 93 10.667 17.216 -7.922 1.00 0.00 C ATOM 1515 OG1 THR A 93 10.305 18.511 -8.395 1.00 0.00 O ATOM 1516 CG2 THR A 93 11.730 16.740 -8.914 1.00 0.00 C ATOM 0 H THR A 93 8.970 17.397 -6.215 1.00 0.00 H new ATOM 0 HA THR A 93 8.886 16.655 -8.963 1.00 0.00 H new ATOM 0 HB THR A 93 11.061 17.149 -6.908 1.00 0.00 H new ATOM 0 HG1 THR A 93 11.087 19.101 -8.365 1.00 0.00 H new ATOM 0 HG21 THR A 93 12.629 17.347 -8.803 1.00 0.00 H new ATOM 0 HG22 THR A 93 11.971 15.695 -8.716 1.00 0.00 H new ATOM 0 HG23 THR A 93 11.349 16.838 -9.931 1.00 0.00 H new ATOM 1524 N CYS A 94 8.624 14.195 -8.614 1.00 0.00 N ATOM 1525 CA CYS A 94 8.706 12.748 -8.719 1.00 0.00 C ATOM 1526 C CYS A 94 8.202 12.337 -10.103 1.00 0.00 C ATOM 1527 O CYS A 94 7.137 12.775 -10.536 1.00 0.00 O ATOM 1528 CB CYS A 94 7.927 12.056 -7.599 1.00 0.00 C ATOM 1529 SG CYS A 94 8.850 11.856 -6.031 1.00 0.00 S ATOM 0 H CYS A 94 7.772 14.603 -8.998 1.00 0.00 H new ATOM 0 HA CYS A 94 9.742 12.430 -8.603 1.00 0.00 H new ATOM 0 HB2 CYS A 94 7.020 12.627 -7.400 1.00 0.00 H new ATOM 0 HB3 CYS A 94 7.614 11.072 -7.948 1.00 0.00 H new ATOM 1534 N PRO A 95 9.012 11.477 -10.778 1.00 0.00 N ATOM 1535 CA PRO A 95 8.659 11.002 -12.105 1.00 0.00 C ATOM 1536 C PRO A 95 7.548 9.953 -12.034 1.00 0.00 C ATOM 1537 O PRO A 95 6.895 9.804 -11.002 1.00 0.00 O ATOM 1538 CB PRO A 95 9.954 10.456 -12.684 1.00 0.00 C ATOM 1539 CG PRO A 95 10.875 10.221 -11.498 1.00 0.00 C ATOM 1540 CD PRO A 95 10.280 10.937 -10.297 1.00 0.00 C ATOM 0 HA PRO A 95 8.254 11.790 -12.740 1.00 0.00 H new ATOM 0 HB2 PRO A 95 9.777 9.530 -13.231 1.00 0.00 H new ATOM 0 HB3 PRO A 95 10.396 11.162 -13.387 1.00 0.00 H new ATOM 0 HG2 PRO A 95 10.973 9.154 -11.296 1.00 0.00 H new ATOM 0 HG3 PRO A 95 11.875 10.599 -11.711 1.00 0.00 H new ATOM 0 HD2 PRO A 95 10.128 10.252 -9.463 1.00 0.00 H new ATOM 0 HD3 PRO A 95 10.939 11.730 -9.942 1.00 0.00 H new ATOM 1548 N SER A 96 7.365 9.254 -13.145 1.00 0.00 N ATOM 1549 CA SER A 96 6.344 8.224 -13.222 1.00 0.00 C ATOM 1550 C SER A 96 6.769 7.004 -12.403 1.00 0.00 C ATOM 1551 O SER A 96 7.903 6.542 -12.513 1.00 0.00 O ATOM 1552 CB SER A 96 6.075 7.822 -14.673 1.00 0.00 C ATOM 1553 OG SER A 96 5.374 8.836 -15.387 1.00 0.00 O ATOM 0 H SER A 96 7.907 9.381 -13.999 1.00 0.00 H new ATOM 0 HA SER A 96 5.420 8.627 -12.808 1.00 0.00 H new ATOM 0 HB2 SER A 96 7.021 7.615 -15.173 1.00 0.00 H new ATOM 0 HB3 SER A 96 5.496 6.899 -14.692 1.00 0.00 H new ATOM 0 HG SER A 96 5.223 8.542 -16.310 1.00 0.00 H new ATOM 1559 N CYS A 97 5.835 6.516 -11.599 1.00 0.00 N ATOM 1560 CA CYS A 97 6.098 5.358 -10.761 1.00 0.00 C ATOM 1561 C CYS A 97 5.972 4.102 -11.625 1.00 0.00 C ATOM 1562 O CYS A 97 6.748 3.160 -11.474 1.00 0.00 O ATOM 1563 CB CYS A 97 5.166 5.314 -9.549 1.00 0.00 C ATOM 1564 SG CYS A 97 5.379 3.850 -8.471 1.00 0.00 S ATOM 0 H CYS A 97 4.895 6.902 -11.510 1.00 0.00 H new ATOM 0 HA CYS A 97 7.108 5.419 -10.357 1.00 0.00 H new ATOM 0 HB2 CYS A 97 5.325 6.213 -8.953 1.00 0.00 H new ATOM 0 HB3 CYS A 97 4.134 5.342 -9.900 1.00 0.00 H new ATOM 1569 N ASP A 98 4.988 4.129 -12.512 1.00 0.00 N ATOM 1570 CA ASP A 98 4.750 3.004 -13.400 1.00 0.00 C ATOM 1571 C ASP A 98 6.049 2.650 -14.127 1.00 0.00 C ATOM 1572 O ASP A 98 6.208 1.530 -14.611 1.00 0.00 O ATOM 1573 CB ASP A 98 3.696 3.348 -14.455 1.00 0.00 C ATOM 1574 CG ASP A 98 2.477 4.107 -13.927 1.00 0.00 C ATOM 1575 OD1 ASP A 98 2.302 4.110 -12.689 1.00 0.00 O ATOM 1576 OD2 ASP A 98 1.748 4.668 -14.773 1.00 0.00 O ATOM 0 H ASP A 98 4.346 4.912 -12.635 1.00 0.00 H new ATOM 0 HA ASP A 98 4.397 2.167 -12.797 1.00 0.00 H new ATOM 0 HB2 ASP A 98 4.167 3.945 -15.236 1.00 0.00 H new ATOM 0 HB3 ASP A 98 3.356 2.424 -14.922 1.00 0.00 H new ATOM 1581 N SER A 99 6.944 3.625 -14.181 1.00 0.00 N ATOM 1582 CA SER A 99 8.223 3.431 -14.841 1.00 0.00 C ATOM 1583 C SER A 99 9.268 2.958 -13.829 1.00 0.00 C ATOM 1584 O SER A 99 10.077 3.751 -13.349 1.00 0.00 O ATOM 1585 CB SER A 99 8.691 4.717 -15.525 1.00 0.00 C ATOM 1586 OG SER A 99 8.494 4.674 -16.936 1.00 0.00 O ATOM 0 H SER A 99 6.808 4.552 -13.778 1.00 0.00 H new ATOM 0 HA SER A 99 8.099 2.668 -15.609 1.00 0.00 H new ATOM 0 HB2 SER A 99 8.149 5.567 -15.109 1.00 0.00 H new ATOM 0 HB3 SER A 99 9.748 4.877 -15.311 1.00 0.00 H new ATOM 0 HG SER A 99 8.804 5.514 -17.335 1.00 0.00 H new ATOM 1592 N TYR A 100 9.217 1.667 -13.533 1.00 0.00 N ATOM 1593 CA TYR A 100 10.149 1.080 -12.586 1.00 0.00 C ATOM 1594 C TYR A 100 10.386 -0.400 -12.896 1.00 0.00 C ATOM 1595 O TYR A 100 11.366 -0.752 -13.550 1.00 0.00 O ATOM 1596 CB TYR A 100 9.487 1.201 -11.212 1.00 0.00 C ATOM 1597 CG TYR A 100 9.988 2.385 -10.382 1.00 0.00 C ATOM 1598 CD1 TYR A 100 11.335 2.682 -10.347 1.00 0.00 C ATOM 1599 CD2 TYR A 100 9.092 3.155 -9.669 1.00 0.00 C ATOM 1600 CE1 TYR A 100 11.806 3.797 -9.566 1.00 0.00 C ATOM 1601 CE2 TYR A 100 9.563 4.270 -8.889 1.00 0.00 C ATOM 1602 CZ TYR A 100 10.896 4.536 -8.876 1.00 0.00 C ATOM 1603 OH TYR A 100 11.341 5.588 -8.138 1.00 0.00 O ATOM 0 H TYR A 100 8.545 1.012 -13.932 1.00 0.00 H new ATOM 0 HA TYR A 100 11.113 1.587 -12.632 1.00 0.00 H new ATOM 0 HB2 TYR A 100 8.409 1.295 -11.346 1.00 0.00 H new ATOM 0 HB3 TYR A 100 9.660 0.281 -10.654 1.00 0.00 H new ATOM 0 HD1 TYR A 100 12.036 2.079 -10.905 1.00 0.00 H new ATOM 0 HD2 TYR A 100 8.038 2.921 -9.696 1.00 0.00 H new ATOM 0 HE1 TYR A 100 12.858 4.041 -9.529 1.00 0.00 H new ATOM 0 HE2 TYR A 100 8.873 4.881 -8.327 1.00 0.00 H new ATOM 0 HH TYR A 100 10.581 6.025 -7.700 1.00 0.00 H new ATOM 1613 N GLU A 101 9.471 -1.227 -12.412 1.00 0.00 N ATOM 1614 CA GLU A 101 9.568 -2.660 -12.629 1.00 0.00 C ATOM 1615 C GLU A 101 8.396 -3.379 -11.958 1.00 0.00 C ATOM 1616 O GLU A 101 7.524 -2.739 -11.372 1.00 0.00 O ATOM 1617 CB GLU A 101 10.906 -3.202 -12.122 1.00 0.00 C ATOM 1618 CG GLU A 101 11.103 -2.877 -10.640 1.00 0.00 C ATOM 1619 CD GLU A 101 12.406 -3.484 -10.115 1.00 0.00 C ATOM 1620 OE1 GLU A 101 12.770 -4.569 -10.617 1.00 0.00 O ATOM 1621 OE2 GLU A 101 13.008 -2.849 -9.222 1.00 0.00 O ATOM 0 H GLU A 101 8.659 -0.932 -11.870 1.00 0.00 H new ATOM 0 HA GLU A 101 9.519 -2.849 -13.701 1.00 0.00 H new ATOM 0 HB2 GLU A 101 10.945 -4.281 -12.270 1.00 0.00 H new ATOM 0 HB3 GLU A 101 11.721 -2.771 -12.704 1.00 0.00 H new ATOM 0 HG2 GLU A 101 11.119 -1.796 -10.500 1.00 0.00 H new ATOM 0 HG3 GLU A 101 10.261 -3.261 -10.065 1.00 0.00 H new ATOM 1628 N LYS A 102 8.412 -4.699 -12.067 1.00 0.00 N ATOM 1629 CA LYS A 102 7.361 -5.512 -11.479 1.00 0.00 C ATOM 1630 C LYS A 102 7.918 -6.255 -10.263 1.00 0.00 C ATOM 1631 O LYS A 102 8.964 -5.887 -9.731 1.00 0.00 O ATOM 1632 CB LYS A 102 6.743 -6.433 -12.532 1.00 0.00 C ATOM 1633 CG LYS A 102 6.299 -5.639 -13.763 1.00 0.00 C ATOM 1634 CD LYS A 102 5.118 -4.726 -13.429 1.00 0.00 C ATOM 1635 CE LYS A 102 5.544 -3.256 -13.429 1.00 0.00 C ATOM 1636 NZ LYS A 102 4.839 -2.512 -14.496 1.00 0.00 N ATOM 0 H LYS A 102 9.137 -5.226 -12.554 1.00 0.00 H new ATOM 0 HA LYS A 102 6.546 -4.882 -11.123 1.00 0.00 H new ATOM 0 HB2 LYS A 102 7.468 -7.192 -12.826 1.00 0.00 H new ATOM 0 HB3 LYS A 102 5.888 -6.957 -12.105 1.00 0.00 H new ATOM 0 HG2 LYS A 102 7.131 -5.042 -14.135 1.00 0.00 H new ATOM 0 HG3 LYS A 102 6.018 -6.326 -14.561 1.00 0.00 H new ATOM 0 HD2 LYS A 102 4.320 -4.877 -14.156 1.00 0.00 H new ATOM 0 HD3 LYS A 102 4.714 -4.991 -12.452 1.00 0.00 H new ATOM 0 HE2 LYS A 102 5.325 -2.808 -12.460 1.00 0.00 H new ATOM 0 HE3 LYS A 102 6.621 -3.183 -13.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 5.140 -1.517 -14.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 5.068 -2.930 -15.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 3.813 -2.566 -14.337 1.00 0.00 H new ATOM 1650 N LYS A 103 7.193 -7.288 -9.858 1.00 0.00 N ATOM 1651 CA LYS A 103 7.602 -8.086 -8.715 1.00 0.00 C ATOM 1652 C LYS A 103 6.451 -9.007 -8.304 1.00 0.00 C ATOM 1653 O LYS A 103 5.336 -8.875 -8.806 1.00 0.00 O ATOM 1654 CB LYS A 103 8.102 -7.185 -7.584 1.00 0.00 C ATOM 1655 CG LYS A 103 9.620 -7.298 -7.424 1.00 0.00 C ATOM 1656 CD LYS A 103 10.251 -5.922 -7.202 1.00 0.00 C ATOM 1657 CE LYS A 103 11.498 -6.027 -6.321 1.00 0.00 C ATOM 1658 NZ LYS A 103 11.940 -4.683 -5.886 1.00 0.00 N ATOM 0 H LYS A 103 6.325 -7.590 -10.301 1.00 0.00 H new ATOM 0 HA LYS A 103 8.445 -8.725 -8.978 1.00 0.00 H new ATOM 0 HB2 LYS A 103 7.831 -6.150 -7.792 1.00 0.00 H new ATOM 0 HB3 LYS A 103 7.613 -7.462 -6.650 1.00 0.00 H new ATOM 0 HG2 LYS A 103 9.853 -7.949 -6.582 1.00 0.00 H new ATOM 0 HG3 LYS A 103 10.050 -7.760 -8.313 1.00 0.00 H new ATOM 0 HD2 LYS A 103 10.516 -5.480 -8.163 1.00 0.00 H new ATOM 0 HD3 LYS A 103 9.526 -5.256 -6.734 1.00 0.00 H new ATOM 0 HE2 LYS A 103 11.284 -6.646 -5.449 1.00 0.00 H new ATOM 0 HE3 LYS A 103 12.299 -6.519 -6.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 12.787 -4.772 -5.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 12.164 -4.104 -6.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 11.180 -4.227 -5.342 1.00 0.00 H new ATOM 1672 N PRO A 104 6.769 -9.944 -7.370 1.00 0.00 N ATOM 1673 CA PRO A 104 5.775 -10.886 -6.886 1.00 0.00 C ATOM 1674 C PRO A 104 4.799 -10.207 -5.923 1.00 0.00 C ATOM 1675 O PRO A 104 4.977 -9.041 -5.573 1.00 0.00 O ATOM 1676 CB PRO A 104 6.574 -12.002 -6.234 1.00 0.00 C ATOM 1677 CG PRO A 104 7.954 -11.423 -5.965 1.00 0.00 C ATOM 1678 CD PRO A 104 8.079 -10.130 -6.754 1.00 0.00 C ATOM 0 HA PRO A 104 5.145 -11.280 -7.684 1.00 0.00 H new ATOM 0 HB2 PRO A 104 6.101 -12.332 -5.309 1.00 0.00 H new ATOM 0 HB3 PRO A 104 6.636 -12.872 -6.888 1.00 0.00 H new ATOM 0 HG2 PRO A 104 8.088 -11.235 -4.900 1.00 0.00 H new ATOM 0 HG3 PRO A 104 8.729 -12.129 -6.264 1.00 0.00 H new ATOM 0 HD2 PRO A 104 8.334 -9.293 -6.104 1.00 0.00 H new ATOM 0 HD3 PRO A 104 8.864 -10.200 -7.507 1.00 0.00 H new ATOM 1686 N PRO A 105 3.764 -10.986 -5.510 1.00 0.00 N ATOM 1687 CA PRO A 105 2.760 -10.472 -4.593 1.00 0.00 C ATOM 1688 C PRO A 105 3.310 -10.388 -3.168 1.00 0.00 C ATOM 1689 O PRO A 105 3.145 -9.373 -2.493 1.00 0.00 O ATOM 1690 CB PRO A 105 1.585 -11.428 -4.721 1.00 0.00 C ATOM 1691 CG PRO A 105 2.144 -12.694 -5.348 1.00 0.00 C ATOM 1692 CD PRO A 105 3.522 -12.371 -5.903 1.00 0.00 C ATOM 0 HA PRO A 105 2.455 -9.453 -4.831 1.00 0.00 H new ATOM 0 HB2 PRO A 105 1.144 -11.637 -3.747 1.00 0.00 H new ATOM 0 HB3 PRO A 105 0.798 -10.999 -5.342 1.00 0.00 H new ATOM 0 HG2 PRO A 105 2.208 -13.491 -4.607 1.00 0.00 H new ATOM 0 HG3 PRO A 105 1.487 -13.049 -6.142 1.00 0.00 H new ATOM 0 HD2 PRO A 105 4.281 -13.037 -5.492 1.00 0.00 H new ATOM 0 HD3 PRO A 105 3.549 -12.486 -6.987 1.00 0.00 H new ATOM 1700 N LYS A 106 3.955 -11.469 -2.752 1.00 0.00 N ATOM 1701 CA LYS A 106 4.530 -11.531 -1.420 1.00 0.00 C ATOM 1702 C LYS A 106 5.304 -10.240 -1.143 1.00 0.00 C ATOM 1703 O LYS A 106 5.200 -9.671 -0.057 1.00 0.00 O ATOM 1704 CB LYS A 106 5.372 -12.798 -1.258 1.00 0.00 C ATOM 1705 CG LYS A 106 6.126 -13.124 -2.548 1.00 0.00 C ATOM 1706 CD LYS A 106 7.511 -13.699 -2.244 1.00 0.00 C ATOM 1707 CE LYS A 106 7.498 -15.227 -2.315 1.00 0.00 C ATOM 1708 NZ LYS A 106 8.484 -15.798 -1.370 1.00 0.00 N ATOM 0 H LYS A 106 4.092 -12.309 -3.315 1.00 0.00 H new ATOM 0 HA LYS A 106 3.743 -11.600 -0.669 1.00 0.00 H new ATOM 0 HB2 LYS A 106 6.082 -12.665 -0.441 1.00 0.00 H new ATOM 0 HB3 LYS A 106 4.728 -13.635 -0.988 1.00 0.00 H new ATOM 0 HG2 LYS A 106 5.553 -13.840 -3.137 1.00 0.00 H new ATOM 0 HG3 LYS A 106 6.227 -12.222 -3.152 1.00 0.00 H new ATOM 0 HD2 LYS A 106 8.237 -13.305 -2.955 1.00 0.00 H new ATOM 0 HD3 LYS A 106 7.831 -13.380 -1.252 1.00 0.00 H new ATOM 0 HE2 LYS A 106 6.501 -15.599 -2.079 1.00 0.00 H new ATOM 0 HE3 LYS A 106 7.728 -15.552 -3.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 8.462 -16.836 -1.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 9.436 -15.457 -1.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 8.247 -15.503 -0.401 1.00 0.00 H new ATOM 1722 N GLU A 107 6.061 -9.815 -2.144 1.00 0.00 N ATOM 1723 CA GLU A 107 6.851 -8.601 -2.021 1.00 0.00 C ATOM 1724 C GLU A 107 5.951 -7.369 -2.130 1.00 0.00 C ATOM 1725 O GLU A 107 5.929 -6.530 -1.231 1.00 0.00 O ATOM 1726 CB GLU A 107 7.963 -8.563 -3.072 1.00 0.00 C ATOM 1727 CG GLU A 107 9.337 -8.733 -2.421 1.00 0.00 C ATOM 1728 CD GLU A 107 10.319 -9.408 -3.382 1.00 0.00 C ATOM 1729 OE1 GLU A 107 10.451 -8.892 -4.513 1.00 0.00 O ATOM 1730 OE2 GLU A 107 10.914 -10.424 -2.963 1.00 0.00 O ATOM 0 H GLU A 107 6.144 -10.289 -3.043 1.00 0.00 H new ATOM 0 HA GLU A 107 7.324 -8.595 -1.039 1.00 0.00 H new ATOM 0 HB2 GLU A 107 7.803 -9.354 -3.805 1.00 0.00 H new ATOM 0 HB3 GLU A 107 7.927 -7.617 -3.611 1.00 0.00 H new ATOM 0 HG2 GLU A 107 9.725 -7.759 -2.123 1.00 0.00 H new ATOM 0 HG3 GLU A 107 9.242 -9.330 -1.514 1.00 0.00 H new ATOM 1737 N PHE A 108 5.230 -7.298 -3.240 1.00 0.00 N ATOM 1738 CA PHE A 108 4.331 -6.182 -3.478 1.00 0.00 C ATOM 1739 C PHE A 108 3.547 -5.829 -2.212 1.00 0.00 C ATOM 1740 O PHE A 108 3.165 -4.677 -2.016 1.00 0.00 O ATOM 1741 CB PHE A 108 3.349 -6.623 -4.565 1.00 0.00 C ATOM 1742 CG PHE A 108 1.984 -5.936 -4.487 1.00 0.00 C ATOM 1743 CD1 PHE A 108 1.902 -4.579 -4.530 1.00 0.00 C ATOM 1744 CD2 PHE A 108 0.852 -6.682 -4.373 1.00 0.00 C ATOM 1745 CE1 PHE A 108 0.635 -3.942 -4.457 1.00 0.00 C ATOM 1746 CE2 PHE A 108 -0.414 -6.045 -4.300 1.00 0.00 C ATOM 1747 CZ PHE A 108 -0.496 -4.688 -4.344 1.00 0.00 C ATOM 0 H PHE A 108 5.251 -7.995 -3.984 1.00 0.00 H new ATOM 0 HA PHE A 108 4.901 -5.302 -3.777 1.00 0.00 H new ATOM 0 HB2 PHE A 108 3.790 -6.422 -5.541 1.00 0.00 H new ATOM 0 HB3 PHE A 108 3.206 -7.701 -4.495 1.00 0.00 H new ATOM 0 HD1 PHE A 108 2.800 -3.986 -4.620 1.00 0.00 H new ATOM 0 HD2 PHE A 108 0.917 -7.759 -4.338 1.00 0.00 H new ATOM 0 HE1 PHE A 108 0.570 -2.865 -4.491 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -1.312 -6.638 -4.210 1.00 0.00 H new ATOM 0 HZ PHE A 108 -1.459 -4.203 -4.289 1.00 0.00 H new ATOM 1757 N LEU A 109 3.332 -6.843 -1.387 1.00 0.00 N ATOM 1758 CA LEU A 109 2.601 -6.654 -0.145 1.00 0.00 C ATOM 1759 C LEU A 109 3.569 -6.198 0.948 1.00 0.00 C ATOM 1760 O LEU A 109 3.333 -5.189 1.611 1.00 0.00 O ATOM 1761 CB LEU A 109 1.820 -7.919 0.214 1.00 0.00 C ATOM 1762 CG LEU A 109 0.459 -8.084 -0.466 1.00 0.00 C ATOM 1763 CD1 LEU A 109 -0.398 -6.829 -0.288 1.00 0.00 C ATOM 1764 CD2 LEU A 109 0.624 -8.461 -1.940 1.00 0.00 C ATOM 0 H LEU A 109 3.651 -7.797 -1.554 1.00 0.00 H new ATOM 0 HA LEU A 109 1.855 -5.867 -0.258 1.00 0.00 H new ATOM 0 HB2 LEU A 109 2.435 -8.784 -0.034 1.00 0.00 H new ATOM 0 HB3 LEU A 109 1.669 -7.934 1.293 1.00 0.00 H new ATOM 0 HG LEU A 109 -0.068 -8.906 0.019 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -1.360 -6.972 -0.780 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -0.558 -6.645 0.774 1.00 0.00 H new ATOM 0 HD13 LEU A 109 0.113 -5.974 -0.731 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -0.358 -8.572 -2.399 1.00 0.00 H new ATOM 0 HD22 LEU A 109 1.179 -7.678 -2.456 1.00 0.00 H new ATOM 0 HD23 LEU A 109 1.169 -9.402 -2.016 1.00 0.00 H new ATOM 1776 N GLU A 110 4.640 -6.963 1.101 1.00 0.00 N ATOM 1777 CA GLU A 110 5.646 -6.650 2.103 1.00 0.00 C ATOM 1778 C GLU A 110 6.186 -5.235 1.888 1.00 0.00 C ATOM 1779 O GLU A 110 6.750 -4.636 2.803 1.00 0.00 O ATOM 1780 CB GLU A 110 6.779 -7.678 2.082 1.00 0.00 C ATOM 1781 CG GLU A 110 6.797 -8.499 3.373 1.00 0.00 C ATOM 1782 CD GLU A 110 8.005 -8.132 4.238 1.00 0.00 C ATOM 1783 OE1 GLU A 110 8.004 -6.998 4.763 1.00 0.00 O ATOM 1784 OE2 GLU A 110 8.902 -8.995 4.356 1.00 0.00 O ATOM 0 H GLU A 110 4.833 -7.798 0.549 1.00 0.00 H new ATOM 0 HA GLU A 110 5.178 -6.694 3.086 1.00 0.00 H new ATOM 0 HB2 GLU A 110 6.657 -8.342 1.226 1.00 0.00 H new ATOM 0 HB3 GLU A 110 7.735 -7.169 1.957 1.00 0.00 H new ATOM 0 HG2 GLU A 110 5.878 -8.324 3.932 1.00 0.00 H new ATOM 0 HG3 GLU A 110 6.827 -9.562 3.132 1.00 0.00 H new ATOM 1791 N ARG A 111 5.995 -4.741 0.674 1.00 0.00 N ATOM 1792 CA ARG A 111 6.457 -3.407 0.327 1.00 0.00 C ATOM 1793 C ARG A 111 5.335 -2.387 0.536 1.00 0.00 C ATOM 1794 O ARG A 111 5.535 -1.366 1.192 1.00 0.00 O ATOM 1795 CB ARG A 111 6.927 -3.347 -1.127 1.00 0.00 C ATOM 1796 CG ARG A 111 8.307 -3.990 -1.284 1.00 0.00 C ATOM 1797 CD ARG A 111 9.371 -3.194 -0.527 1.00 0.00 C ATOM 1798 NE ARG A 111 10.722 -3.620 -0.956 1.00 0.00 N ATOM 1799 CZ ARG A 111 11.842 -3.383 -0.258 1.00 0.00 C ATOM 1800 NH1 ARG A 111 11.778 -2.722 0.906 1.00 0.00 N ATOM 1801 NH2 ARG A 111 13.024 -3.807 -0.725 1.00 0.00 N ATOM 0 H ARG A 111 5.527 -5.240 -0.082 1.00 0.00 H new ATOM 0 HA ARG A 111 7.298 -3.167 0.978 1.00 0.00 H new ATOM 0 HB2 ARG A 111 6.208 -3.859 -1.767 1.00 0.00 H new ATOM 0 HB3 ARG A 111 6.966 -2.309 -1.458 1.00 0.00 H new ATOM 0 HG2 ARG A 111 8.280 -5.014 -0.911 1.00 0.00 H new ATOM 0 HG3 ARG A 111 8.570 -4.042 -2.341 1.00 0.00 H new ATOM 0 HD2 ARG A 111 9.241 -2.128 -0.713 1.00 0.00 H new ATOM 0 HD3 ARG A 111 9.256 -3.347 0.546 1.00 0.00 H new ATOM 0 HE ARG A 111 10.806 -4.126 -1.838 1.00 0.00 H new ATOM 0 HH11 ARG A 111 10.878 -2.400 1.261 1.00 0.00 H new ATOM 0 HH12 ARG A 111 12.630 -2.541 1.437 1.00 0.00 H new ATOM 0 HH21 ARG A 111 13.072 -4.310 -1.611 1.00 0.00 H new ATOM 0 HH22 ARG A 111 13.876 -3.627 -0.194 1.00 0.00 H new ATOM 1815 N PHE A 112 4.181 -2.699 -0.035 1.00 0.00 N ATOM 1816 CA PHE A 112 3.028 -1.822 0.080 1.00 0.00 C ATOM 1817 C PHE A 112 2.778 -1.434 1.539 1.00 0.00 C ATOM 1818 O PHE A 112 2.785 -0.253 1.881 1.00 0.00 O ATOM 1819 CB PHE A 112 1.820 -2.601 -0.443 1.00 0.00 C ATOM 1820 CG PHE A 112 0.513 -1.805 -0.431 1.00 0.00 C ATOM 1821 CD1 PHE A 112 0.523 -0.478 -0.732 1.00 0.00 C ATOM 1822 CD2 PHE A 112 -0.657 -2.423 -0.119 1.00 0.00 C ATOM 1823 CE1 PHE A 112 -0.690 0.260 -0.721 1.00 0.00 C ATOM 1824 CE2 PHE A 112 -1.869 -1.684 -0.107 1.00 0.00 C ATOM 1825 CZ PHE A 112 -1.860 -0.358 -0.409 1.00 0.00 C ATOM 0 H PHE A 112 4.020 -3.547 -0.579 1.00 0.00 H new ATOM 0 HA PHE A 112 3.198 -0.907 -0.487 1.00 0.00 H new ATOM 0 HB2 PHE A 112 2.025 -2.928 -1.462 1.00 0.00 H new ATOM 0 HB3 PHE A 112 1.692 -3.500 0.160 1.00 0.00 H new ATOM 0 HD1 PHE A 112 1.453 0.013 -0.979 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -0.664 -3.476 0.120 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -0.683 1.313 -0.961 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -2.798 -2.175 0.142 1.00 0.00 H new ATOM 0 HZ PHE A 112 -2.782 0.204 -0.401 1.00 0.00 H new ATOM 1835 N LYS A 113 2.562 -2.452 2.359 1.00 0.00 N ATOM 1836 CA LYS A 113 2.309 -2.233 3.773 1.00 0.00 C ATOM 1837 C LYS A 113 3.411 -1.342 4.352 1.00 0.00 C ATOM 1838 O LYS A 113 3.126 -0.353 5.025 1.00 0.00 O ATOM 1839 CB LYS A 113 2.152 -3.568 4.503 1.00 0.00 C ATOM 1840 CG LYS A 113 2.595 -3.451 5.963 1.00 0.00 C ATOM 1841 CD LYS A 113 4.009 -4.004 6.152 1.00 0.00 C ATOM 1842 CE LYS A 113 4.544 -3.676 7.548 1.00 0.00 C ATOM 1843 NZ LYS A 113 5.994 -3.959 7.627 1.00 0.00 N ATOM 0 H LYS A 113 2.557 -3.431 2.071 1.00 0.00 H new ATOM 0 HA LYS A 113 1.365 -1.706 3.913 1.00 0.00 H new ATOM 0 HB2 LYS A 113 1.111 -3.890 4.460 1.00 0.00 H new ATOM 0 HB3 LYS A 113 2.743 -4.333 4.000 1.00 0.00 H new ATOM 0 HG2 LYS A 113 2.564 -2.407 6.274 1.00 0.00 H new ATOM 0 HG3 LYS A 113 1.899 -3.994 6.603 1.00 0.00 H new ATOM 0 HD2 LYS A 113 4.004 -5.084 6.005 1.00 0.00 H new ATOM 0 HD3 LYS A 113 4.672 -3.583 5.396 1.00 0.00 H new ATOM 0 HE2 LYS A 113 4.359 -2.627 7.777 1.00 0.00 H new ATOM 0 HE3 LYS A 113 4.011 -4.264 8.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 6.341 -3.731 8.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 6.162 -4.966 7.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 6.499 -3.379 6.927 1.00 0.00 H new ATOM 1857 N SER A 114 4.647 -1.725 4.067 1.00 0.00 N ATOM 1858 CA SER A 114 5.793 -0.974 4.551 1.00 0.00 C ATOM 1859 C SER A 114 5.698 0.481 4.089 1.00 0.00 C ATOM 1860 O SER A 114 5.771 1.401 4.903 1.00 0.00 O ATOM 1861 CB SER A 114 7.104 -1.599 4.069 1.00 0.00 C ATOM 1862 OG SER A 114 8.096 -1.614 5.092 1.00 0.00 O ATOM 0 H SER A 114 4.880 -2.545 3.507 1.00 0.00 H new ATOM 0 HA SER A 114 5.786 -1.004 5.641 1.00 0.00 H new ATOM 0 HB2 SER A 114 6.917 -2.618 3.730 1.00 0.00 H new ATOM 0 HB3 SER A 114 7.477 -1.041 3.210 1.00 0.00 H new ATOM 0 HG SER A 114 8.917 -2.022 4.746 1.00 0.00 H new ATOM 1868 N LEU A 115 5.535 0.645 2.784 1.00 0.00 N ATOM 1869 CA LEU A 115 5.428 1.973 2.204 1.00 0.00 C ATOM 1870 C LEU A 115 4.428 2.800 3.015 1.00 0.00 C ATOM 1871 O LEU A 115 4.688 3.960 3.331 1.00 0.00 O ATOM 1872 CB LEU A 115 5.087 1.882 0.716 1.00 0.00 C ATOM 1873 CG LEU A 115 5.134 3.197 -0.065 1.00 0.00 C ATOM 1874 CD1 LEU A 115 4.151 4.215 0.515 1.00 0.00 C ATOM 1875 CD2 LEU A 115 6.561 3.748 -0.125 1.00 0.00 C ATOM 0 H LEU A 115 5.474 -0.120 2.112 1.00 0.00 H new ATOM 0 HA LEU A 115 6.386 2.490 2.256 1.00 0.00 H new ATOM 0 HB2 LEU A 115 5.777 1.180 0.248 1.00 0.00 H new ATOM 0 HB3 LEU A 115 4.087 1.460 0.618 1.00 0.00 H new ATOM 0 HG LEU A 115 4.822 2.997 -1.090 1.00 0.00 H new ATOM 0 HD11 LEU A 115 4.205 5.140 -0.059 1.00 0.00 H new ATOM 0 HD12 LEU A 115 3.139 3.814 0.463 1.00 0.00 H new ATOM 0 HD13 LEU A 115 4.408 4.417 1.555 1.00 0.00 H new ATOM 0 HD21 LEU A 115 6.567 4.683 -0.685 1.00 0.00 H new ATOM 0 HD22 LEU A 115 6.924 3.929 0.887 1.00 0.00 H new ATOM 0 HD23 LEU A 115 7.210 3.025 -0.619 1.00 0.00 H new ATOM 1887 N LEU A 116 3.305 2.171 3.328 1.00 0.00 N ATOM 1888 CA LEU A 116 2.265 2.834 4.096 1.00 0.00 C ATOM 1889 C LEU A 116 2.808 3.191 5.481 1.00 0.00 C ATOM 1890 O LEU A 116 2.812 4.359 5.867 1.00 0.00 O ATOM 1891 CB LEU A 116 0.998 1.976 4.135 1.00 0.00 C ATOM 1892 CG LEU A 116 0.470 1.498 2.781 1.00 0.00 C ATOM 1893 CD1 LEU A 116 -0.029 0.054 2.866 1.00 0.00 C ATOM 1894 CD2 LEU A 116 -0.605 2.446 2.246 1.00 0.00 C ATOM 0 H LEU A 116 3.092 1.209 3.064 1.00 0.00 H new ATOM 0 HA LEU A 116 1.975 3.769 3.616 1.00 0.00 H new ATOM 0 HB2 LEU A 116 1.194 1.102 4.755 1.00 0.00 H new ATOM 0 HB3 LEU A 116 0.211 2.547 4.628 1.00 0.00 H new ATOM 0 HG LEU A 116 1.295 1.512 2.068 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -0.399 -0.261 1.890 1.00 0.00 H new ATOM 0 HD12 LEU A 116 0.791 -0.597 3.171 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -0.835 -0.010 3.597 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -0.963 2.083 1.283 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -1.436 2.488 2.950 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -0.182 3.443 2.124 1.00 0.00 H new ATOM 1906 N GLN A 117 3.254 2.165 6.190 1.00 0.00 N ATOM 1907 CA GLN A 117 3.798 2.356 7.523 1.00 0.00 C ATOM 1908 C GLN A 117 5.097 3.163 7.456 1.00 0.00 C ATOM 1909 O GLN A 117 5.668 3.514 8.487 1.00 0.00 O ATOM 1910 CB GLN A 117 4.023 1.014 8.221 1.00 0.00 C ATOM 1911 CG GLN A 117 5.443 0.499 7.978 1.00 0.00 C ATOM 1912 CD GLN A 117 6.402 1.004 9.058 1.00 0.00 C ATOM 1913 OE1 GLN A 117 7.415 1.626 8.784 1.00 0.00 O ATOM 1914 NE2 GLN A 117 6.027 0.703 10.298 1.00 0.00 N ATOM 0 H GLN A 117 3.250 1.198 5.866 1.00 0.00 H new ATOM 0 HA GLN A 117 3.073 2.918 8.112 1.00 0.00 H new ATOM 0 HB2 GLN A 117 3.851 1.124 9.292 1.00 0.00 H new ATOM 0 HB3 GLN A 117 3.300 0.284 7.855 1.00 0.00 H new ATOM 0 HG2 GLN A 117 5.442 -0.591 7.969 1.00 0.00 H new ATOM 0 HG3 GLN A 117 5.789 0.826 6.997 1.00 0.00 H new ATOM 0 HE21 GLN A 117 5.166 0.179 10.458 1.00 0.00 H new ATOM 0 HE22 GLN A 117 6.600 0.996 11.089 1.00 0.00 H new ATOM 1923 N LYS A 118 5.524 3.434 6.231 1.00 0.00 N ATOM 1924 CA LYS A 118 6.744 4.193 6.016 1.00 0.00 C ATOM 1925 C LYS A 118 6.428 5.689 6.084 1.00 0.00 C ATOM 1926 O LYS A 118 6.795 6.361 7.047 1.00 0.00 O ATOM 1927 CB LYS A 118 7.417 3.766 4.710 1.00 0.00 C ATOM 1928 CG LYS A 118 8.662 2.921 4.986 1.00 0.00 C ATOM 1929 CD LYS A 118 9.161 2.246 3.706 1.00 0.00 C ATOM 1930 CE LYS A 118 10.671 2.431 3.541 1.00 0.00 C ATOM 1931 NZ LYS A 118 10.957 3.529 2.591 1.00 0.00 N ATOM 0 H LYS A 118 5.047 3.142 5.378 1.00 0.00 H new ATOM 0 HA LYS A 118 7.467 3.983 6.804 1.00 0.00 H new ATOM 0 HB2 LYS A 118 6.713 3.196 4.103 1.00 0.00 H new ATOM 0 HB3 LYS A 118 7.693 4.649 4.133 1.00 0.00 H new ATOM 0 HG2 LYS A 118 9.449 3.551 5.400 1.00 0.00 H new ATOM 0 HG3 LYS A 118 8.433 2.163 5.736 1.00 0.00 H new ATOM 0 HD2 LYS A 118 8.922 1.183 3.735 1.00 0.00 H new ATOM 0 HD3 LYS A 118 8.643 2.666 2.844 1.00 0.00 H new ATOM 0 HE2 LYS A 118 11.124 2.651 4.508 1.00 0.00 H new ATOM 0 HE3 LYS A 118 11.120 1.505 3.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 11.986 3.642 2.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 10.541 3.304 1.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 10.545 4.414 2.949 1.00 0.00 H new ATOM 1945 N MET A 119 5.751 6.166 5.051 1.00 0.00 N ATOM 1946 CA MET A 119 5.381 7.570 4.982 1.00 0.00 C ATOM 1947 C MET A 119 3.976 7.795 5.545 1.00 0.00 C ATOM 1948 O MET A 119 3.809 8.493 6.544 1.00 0.00 O ATOM 1949 CB MET A 119 5.429 8.039 3.526 1.00 0.00 C ATOM 1950 CG MET A 119 6.179 9.368 3.404 1.00 0.00 C ATOM 1951 SD MET A 119 5.295 10.650 4.275 1.00 0.00 S ATOM 1952 CE MET A 119 6.188 12.086 3.703 1.00 0.00 C ATOM 0 H MET A 119 5.449 5.606 4.254 1.00 0.00 H new ATOM 0 HA MET A 119 6.088 8.143 5.582 1.00 0.00 H new ATOM 0 HB2 MET A 119 5.919 7.283 2.912 1.00 0.00 H new ATOM 0 HB3 MET A 119 4.415 8.153 3.143 1.00 0.00 H new ATOM 0 HG2 MET A 119 7.184 9.266 3.812 1.00 0.00 H new ATOM 0 HG3 MET A 119 6.287 9.639 2.354 1.00 0.00 H new ATOM 0 HE1 MET A 119 6.841 12.449 4.497 1.00 0.00 H new ATOM 0 HE2 MET A 119 6.789 11.819 2.834 1.00 0.00 H new ATOM 0 HE3 MET A 119 5.481 12.869 3.429 1.00 0.00 H new ATOM 1962 N ILE A 120 3.003 7.191 4.880 1.00 0.00 N ATOM 1963 CA ILE A 120 1.618 7.317 5.301 1.00 0.00 C ATOM 1964 C ILE A 120 1.556 7.348 6.830 1.00 0.00 C ATOM 1965 O ILE A 120 0.878 8.195 7.410 1.00 0.00 O ATOM 1966 CB ILE A 120 0.764 6.214 4.673 1.00 0.00 C ATOM 1967 CG1 ILE A 120 0.362 6.580 3.243 1.00 0.00 C ATOM 1968 CG2 ILE A 120 -0.451 5.897 5.547 1.00 0.00 C ATOM 1969 CD1 ILE A 120 1.542 7.183 2.478 1.00 0.00 C ATOM 0 H ILE A 120 3.146 6.613 4.052 1.00 0.00 H new ATOM 0 HA ILE A 120 1.195 8.256 4.945 1.00 0.00 H new ATOM 0 HB ILE A 120 1.365 5.306 4.616 1.00 0.00 H new ATOM 0 HG12 ILE A 120 0.004 5.691 2.724 1.00 0.00 H new ATOM 0 HG13 ILE A 120 -0.464 7.291 3.264 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -1.041 5.110 5.078 1.00 0.00 H new ATOM 0 HG22 ILE A 120 -0.116 5.563 6.529 1.00 0.00 H new ATOM 0 HG23 ILE A 120 -1.063 6.792 5.658 1.00 0.00 H new ATOM 0 HD11 ILE A 120 1.229 7.434 1.465 1.00 0.00 H new ATOM 0 HD12 ILE A 120 1.882 8.085 2.986 1.00 0.00 H new ATOM 0 HD13 ILE A 120 2.357 6.460 2.437 1.00 0.00 H new ATOM 1981 N HIS A 121 2.271 6.414 7.438 1.00 0.00 N ATOM 1982 CA HIS A 121 2.306 6.323 8.888 1.00 0.00 C ATOM 1983 C HIS A 121 2.793 7.650 9.473 1.00 0.00 C ATOM 1984 O HIS A 121 2.013 8.396 10.064 1.00 0.00 O ATOM 1985 CB HIS A 121 3.151 5.130 9.338 1.00 0.00 C ATOM 1986 CG HIS A 121 2.359 4.033 10.007 1.00 0.00 C ATOM 1987 ND1 HIS A 121 1.231 3.468 9.438 1.00 0.00 N ATOM 1988 CD2 HIS A 121 2.543 3.403 11.203 1.00 0.00 C ATOM 1989 CE1 HIS A 121 0.766 2.541 10.262 1.00 0.00 C ATOM 1990 NE2 HIS A 121 1.580 2.503 11.356 1.00 0.00 N ATOM 0 H HIS A 121 2.831 5.713 6.953 1.00 0.00 H new ATOM 0 HA HIS A 121 1.301 6.145 9.269 1.00 0.00 H new ATOM 0 HB2 HIS A 121 3.666 4.715 8.471 1.00 0.00 H new ATOM 0 HB3 HIS A 121 3.919 5.481 10.027 1.00 0.00 H new ATOM 0 HD2 HIS A 121 3.338 3.603 11.906 1.00 0.00 H new ATOM 0 HE1 HIS A 121 -0.105 1.924 10.097 1.00 0.00 H new ATOM 0 HE2 HIS A 121 1.467 1.885 12.159 1.00 0.00 H new ATOM 1998 N GLN A 122 4.080 7.904 9.290 1.00 0.00 N ATOM 1999 CA GLN A 122 4.681 9.128 9.792 1.00 0.00 C ATOM 2000 C GLN A 122 3.810 10.333 9.432 1.00 0.00 C ATOM 2001 O GLN A 122 3.547 11.187 10.277 1.00 0.00 O ATOM 2002 CB GLN A 122 6.104 9.300 9.258 1.00 0.00 C ATOM 2003 CG GLN A 122 6.137 9.165 7.734 1.00 0.00 C ATOM 2004 CD GLN A 122 7.570 9.259 7.206 1.00 0.00 C ATOM 2005 OE1 GLN A 122 8.242 8.266 6.979 1.00 0.00 O ATOM 2006 NE2 GLN A 122 7.999 10.505 7.025 1.00 0.00 N ATOM 0 H GLN A 122 4.724 7.283 8.801 1.00 0.00 H new ATOM 0 HA GLN A 122 4.743 9.061 10.878 1.00 0.00 H new ATOM 0 HB2 GLN A 122 6.490 10.277 9.549 1.00 0.00 H new ATOM 0 HB3 GLN A 122 6.758 8.553 9.707 1.00 0.00 H new ATOM 0 HG2 GLN A 122 5.699 8.211 7.440 1.00 0.00 H new ATOM 0 HG3 GLN A 122 5.527 9.948 7.283 1.00 0.00 H new ATOM 0 HE21 GLN A 122 7.384 11.292 7.235 1.00 0.00 H new ATOM 0 HE22 GLN A 122 8.943 10.674 6.676 1.00 0.00 H new ATOM 2015 N HIS A 123 3.388 10.364 8.177 1.00 0.00 N ATOM 2016 CA HIS A 123 2.552 11.450 7.695 1.00 0.00 C ATOM 2017 C HIS A 123 1.547 11.844 8.779 1.00 0.00 C ATOM 2018 O HIS A 123 1.386 13.026 9.081 1.00 0.00 O ATOM 2019 CB HIS A 123 1.881 11.074 6.373 1.00 0.00 C ATOM 2020 CG HIS A 123 0.792 12.028 5.943 1.00 0.00 C ATOM 2021 ND1 HIS A 123 -0.535 11.650 5.832 1.00 0.00 N ATOM 2022 CD2 HIS A 123 0.847 13.347 5.600 1.00 0.00 C ATOM 2023 CE1 HIS A 123 -1.238 12.702 5.438 1.00 0.00 C ATOM 2024 NE2 HIS A 123 -0.379 13.753 5.295 1.00 0.00 N ATOM 0 H HIS A 123 3.609 9.654 7.479 1.00 0.00 H new ATOM 0 HA HIS A 123 3.170 12.324 7.486 1.00 0.00 H new ATOM 0 HB2 HIS A 123 2.640 11.030 5.592 1.00 0.00 H new ATOM 0 HB3 HIS A 123 1.458 10.073 6.464 1.00 0.00 H new ATOM 0 HD2 HIS A 123 1.738 13.958 5.580 1.00 0.00 H new ATOM 0 HE1 HIS A 123 -2.303 12.724 5.261 1.00 0.00 H new ATOM 0 HE2 HIS A 123 -0.637 14.695 5.002 1.00 0.00 H new ATOM 2032 N LEU A 124 0.897 10.832 9.335 1.00 0.00 N ATOM 2033 CA LEU A 124 -0.088 11.058 10.379 1.00 0.00 C ATOM 2034 C LEU A 124 0.630 11.343 11.699 1.00 0.00 C ATOM 2035 O LEU A 124 0.213 12.212 12.462 1.00 0.00 O ATOM 2036 CB LEU A 124 -1.069 9.887 10.453 1.00 0.00 C ATOM 2037 CG LEU A 124 -2.523 10.248 10.763 1.00 0.00 C ATOM 2038 CD1 LEU A 124 -2.626 11.025 12.077 1.00 0.00 C ATOM 2039 CD2 LEU A 124 -3.161 11.005 9.597 1.00 0.00 C ATOM 0 H LEU A 124 1.033 9.853 9.082 1.00 0.00 H new ATOM 0 HA LEU A 124 -0.692 11.936 10.149 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -1.042 9.356 9.501 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -0.718 9.192 11.216 1.00 0.00 H new ATOM 0 HG LEU A 124 -3.085 9.323 10.891 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -3.670 11.269 12.274 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -2.236 10.415 12.892 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -2.046 11.945 12.002 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -4.194 11.249 9.844 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -2.605 11.924 9.412 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -3.139 10.382 8.703 1.00 0.00 H new ATOM 2051 N SER A 125 1.699 10.594 11.927 1.00 0.00 N ATOM 2052 CA SER A 125 2.480 10.755 13.142 1.00 0.00 C ATOM 2053 C SER A 125 2.841 12.229 13.341 1.00 0.00 C ATOM 2054 O SER A 125 2.405 12.853 14.307 1.00 0.00 O ATOM 2055 CB SER A 125 3.747 9.899 13.100 1.00 0.00 C ATOM 2056 OG SER A 125 4.242 9.613 14.405 1.00 0.00 O ATOM 0 H SER A 125 2.043 9.874 11.291 1.00 0.00 H new ATOM 0 HA SER A 125 1.875 10.419 13.984 1.00 0.00 H new ATOM 0 HB2 SER A 125 3.536 8.965 12.580 1.00 0.00 H new ATOM 0 HB3 SER A 125 4.516 10.417 12.526 1.00 0.00 H new ATOM 0 HG SER A 125 5.050 9.063 14.335 1.00 0.00 H new ATOM 2062 N SER A 126 3.633 12.741 12.411 1.00 0.00 N ATOM 2063 CA SER A 126 4.058 14.130 12.472 1.00 0.00 C ATOM 2064 C SER A 126 4.823 14.499 11.200 1.00 0.00 C ATOM 2065 O SER A 126 4.454 15.442 10.501 1.00 0.00 O ATOM 2066 CB SER A 126 4.925 14.387 13.706 1.00 0.00 C ATOM 2067 OG SER A 126 4.325 15.328 14.593 1.00 0.00 O ATOM 0 H SER A 126 3.992 12.220 11.611 1.00 0.00 H new ATOM 0 HA SER A 126 3.169 14.757 12.549 1.00 0.00 H new ATOM 0 HB2 SER A 126 5.093 13.448 14.233 1.00 0.00 H new ATOM 0 HB3 SER A 126 5.902 14.756 13.393 1.00 0.00 H new ATOM 0 HG SER A 126 4.908 15.464 15.369 1.00 0.00 H new ATOM 2073 N ARG A 127 5.874 13.737 10.937 1.00 0.00 N ATOM 2074 CA ARG A 127 6.695 13.973 9.761 1.00 0.00 C ATOM 2075 C ARG A 127 7.365 15.345 9.848 1.00 0.00 C ATOM 2076 O ARG A 127 6.787 16.349 9.434 1.00 0.00 O ATOM 2077 CB ARG A 127 5.858 13.901 8.482 1.00 0.00 C ATOM 2078 CG ARG A 127 6.705 14.236 7.253 1.00 0.00 C ATOM 2079 CD ARG A 127 6.050 15.342 6.422 1.00 0.00 C ATOM 2080 NE ARG A 127 5.108 14.750 5.446 1.00 0.00 N ATOM 2081 CZ ARG A 127 4.287 15.466 4.666 1.00 0.00 C ATOM 2082 NH1 ARG A 127 4.287 16.804 4.743 1.00 0.00 N ATOM 2083 NH2 ARG A 127 3.465 14.845 3.809 1.00 0.00 N ATOM 0 H ARG A 127 6.176 12.955 11.518 1.00 0.00 H new ATOM 0 HA ARG A 127 7.457 13.195 9.727 1.00 0.00 H new ATOM 0 HB2 ARG A 127 5.435 12.902 8.375 1.00 0.00 H new ATOM 0 HB3 ARG A 127 5.021 14.596 8.551 1.00 0.00 H new ATOM 0 HG2 ARG A 127 7.700 14.553 7.567 1.00 0.00 H new ATOM 0 HG3 ARG A 127 6.833 13.343 6.641 1.00 0.00 H new ATOM 0 HD2 ARG A 127 5.521 16.035 7.076 1.00 0.00 H new ATOM 0 HD3 ARG A 127 6.814 15.917 5.900 1.00 0.00 H new ATOM 0 HE ARG A 127 5.082 13.734 5.362 1.00 0.00 H new ATOM 0 HH11 ARG A 127 4.912 17.277 5.395 1.00 0.00 H new ATOM 0 HH12 ARG A 127 3.662 17.349 4.149 1.00 0.00 H new ATOM 0 HH21 ARG A 127 3.464 13.827 3.750 1.00 0.00 H new ATOM 0 HH22 ARG A 127 2.840 15.391 3.215 1.00 0.00 H new ATOM 2097 N THR A 128 8.574 15.345 10.388 1.00 0.00 N ATOM 2098 CA THR A 128 9.329 16.578 10.534 1.00 0.00 C ATOM 2099 C THR A 128 9.772 17.098 9.165 1.00 0.00 C ATOM 2100 O THR A 128 10.777 16.644 8.620 1.00 0.00 O ATOM 2101 CB THR A 128 10.495 16.309 11.488 1.00 0.00 C ATOM 2102 OG1 THR A 128 11.301 15.362 10.792 1.00 0.00 O ATOM 2103 CG2 THR A 128 10.057 15.567 12.753 1.00 0.00 C ATOM 0 H THR A 128 9.050 14.510 10.730 1.00 0.00 H new ATOM 0 HA THR A 128 8.714 17.369 10.964 1.00 0.00 H new ATOM 0 HB THR A 128 10.963 17.254 11.765 1.00 0.00 H new ATOM 0 HG1 THR A 128 11.289 15.564 9.833 1.00 0.00 H new ATOM 0 HG21 THR A 128 10.922 15.401 13.395 1.00 0.00 H new ATOM 0 HG22 THR A 128 9.317 16.163 13.287 1.00 0.00 H new ATOM 0 HG23 THR A 128 9.620 14.607 12.479 1.00 0.00 H new ATOM 2111 N HIS A 129 9.000 18.042 8.648 1.00 0.00 N ATOM 2112 CA HIS A 129 9.300 18.628 7.353 1.00 0.00 C ATOM 2113 C HIS A 129 9.040 17.599 6.251 1.00 0.00 C ATOM 2114 O HIS A 129 8.155 17.786 5.418 1.00 0.00 O ATOM 2115 CB HIS A 129 10.726 19.181 7.324 1.00 0.00 C ATOM 2116 CG HIS A 129 10.800 20.689 7.284 1.00 0.00 C ATOM 2117 ND1 HIS A 129 10.010 21.500 8.081 1.00 0.00 N ATOM 2118 CD2 HIS A 129 11.577 21.524 6.537 1.00 0.00 C ATOM 2119 CE1 HIS A 129 10.306 22.763 7.816 1.00 0.00 C ATOM 2120 NE2 HIS A 129 11.278 22.776 6.858 1.00 0.00 N ATOM 0 H HIS A 129 8.167 18.416 9.103 1.00 0.00 H new ATOM 0 HA HIS A 129 8.640 19.476 7.172 1.00 0.00 H new ATOM 0 HB2 HIS A 129 11.261 18.825 8.204 1.00 0.00 H new ATOM 0 HB3 HIS A 129 11.243 18.779 6.453 1.00 0.00 H new ATOM 0 HD2 HIS A 129 12.312 21.218 5.807 1.00 0.00 H new ATOM 0 HE1 HIS A 129 9.857 23.630 8.277 1.00 0.00 H new ATOM 0 HE2 HIS A 129 11.704 23.611 6.455 1.00 0.00 H new ATOM 2128 N GLY A 130 9.829 16.535 6.283 1.00 0.00 N ATOM 2129 CA GLY A 130 9.696 15.476 5.297 1.00 0.00 C ATOM 2130 C GLY A 130 9.462 16.053 3.900 1.00 0.00 C ATOM 2131 O GLY A 130 8.350 15.994 3.378 1.00 0.00 O ATOM 0 H GLY A 130 10.562 16.384 6.976 1.00 0.00 H new ATOM 0 HA2 GLY A 130 10.596 14.862 5.294 1.00 0.00 H new ATOM 0 HA3 GLY A 130 8.866 14.824 5.569 1.00 0.00 H new ATOM 2135 N SER A 131 10.529 16.599 3.334 1.00 0.00 N ATOM 2136 CA SER A 131 10.454 17.186 2.007 1.00 0.00 C ATOM 2137 C SER A 131 11.849 17.608 1.542 1.00 0.00 C ATOM 2138 O SER A 131 12.619 18.178 2.315 1.00 0.00 O ATOM 2139 CB SER A 131 9.503 18.385 1.988 1.00 0.00 C ATOM 2140 OG SER A 131 9.940 19.427 2.856 1.00 0.00 O ATOM 0 H SER A 131 11.450 16.647 3.770 1.00 0.00 H new ATOM 0 HA SER A 131 10.062 16.434 1.322 1.00 0.00 H new ATOM 0 HB2 SER A 131 9.425 18.769 0.971 1.00 0.00 H new ATOM 0 HB3 SER A 131 8.505 18.061 2.284 1.00 0.00 H new ATOM 0 HG SER A 131 9.308 20.174 2.814 1.00 0.00 H new ATOM 2146 N GLU A 132 12.133 17.313 0.282 1.00 0.00 N ATOM 2147 CA GLU A 132 13.422 17.655 -0.295 1.00 0.00 C ATOM 2148 C GLU A 132 14.552 17.020 0.518 1.00 0.00 C ATOM 2149 O GLU A 132 14.321 16.500 1.609 1.00 0.00 O ATOM 2150 CB GLU A 132 13.597 19.172 -0.385 1.00 0.00 C ATOM 2151 CG GLU A 132 13.699 19.626 -1.843 1.00 0.00 C ATOM 2152 CD GLU A 132 13.998 21.124 -1.930 1.00 0.00 C ATOM 2153 OE1 GLU A 132 15.031 21.531 -1.357 1.00 0.00 O ATOM 2154 OE2 GLU A 132 13.187 21.828 -2.569 1.00 0.00 O ATOM 0 H GLU A 132 11.492 16.841 -0.356 1.00 0.00 H new ATOM 0 HA GLU A 132 13.462 17.257 -1.309 1.00 0.00 H new ATOM 0 HB2 GLU A 132 12.754 19.668 0.096 1.00 0.00 H new ATOM 0 HB3 GLU A 132 14.494 19.471 0.157 1.00 0.00 H new ATOM 0 HG2 GLU A 132 14.485 19.065 -2.349 1.00 0.00 H new ATOM 0 HG3 GLU A 132 12.766 19.407 -2.362 1.00 0.00 H new ATOM 2161 N ASP A 133 15.750 17.083 -0.045 1.00 0.00 N ATOM 2162 CA ASP A 133 16.917 16.521 0.614 1.00 0.00 C ATOM 2163 C ASP A 133 18.125 16.630 -0.318 1.00 0.00 C ATOM 2164 O ASP A 133 18.105 16.106 -1.430 1.00 0.00 O ATOM 2165 CB ASP A 133 16.705 15.041 0.942 1.00 0.00 C ATOM 2166 CG ASP A 133 17.106 14.629 2.359 1.00 0.00 C ATOM 2167 OD1 ASP A 133 18.328 14.511 2.592 1.00 0.00 O ATOM 2168 OD2 ASP A 133 16.181 14.441 3.179 1.00 0.00 O ATOM 0 H ASP A 133 15.938 17.515 -0.950 1.00 0.00 H new ATOM 0 HA ASP A 133 17.082 17.075 1.538 1.00 0.00 H new ATOM 0 HB2 ASP A 133 15.653 14.799 0.793 1.00 0.00 H new ATOM 0 HB3 ASP A 133 17.274 14.442 0.231 1.00 0.00 H new ATOM 2173 N SER A 134 19.149 17.314 0.171 1.00 0.00 N ATOM 2174 CA SER A 134 20.364 17.499 -0.603 1.00 0.00 C ATOM 2175 C SER A 134 21.583 17.103 0.232 1.00 0.00 C ATOM 2176 O SER A 134 21.856 17.711 1.266 1.00 0.00 O ATOM 2177 CB SER A 134 20.497 18.946 -1.083 1.00 0.00 C ATOM 2178 OG SER A 134 19.422 19.326 -1.938 1.00 0.00 O ATOM 0 H SER A 134 19.162 17.747 1.094 1.00 0.00 H new ATOM 0 HA SER A 134 20.310 16.857 -1.482 1.00 0.00 H new ATOM 0 HB2 SER A 134 20.528 19.612 -0.221 1.00 0.00 H new ATOM 0 HB3 SER A 134 21.442 19.067 -1.613 1.00 0.00 H new ATOM 0 HG SER A 134 19.543 20.256 -2.221 1.00 0.00 H new TER 2184 SER A 134