USER MOD reduce.3.24.130724 H: found=0, std=0, add=1380, rem=0, adj=44 USER MOD reduce.3.24.130724 removed 1376 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 114 CYS SG : rot -20:sc= -0.798 USER MOD Set 1.2: A 120 GLN : amide:sc= -3.56 K(o=-4.4,f=-0.65!) USER MOD Set 2.1: A 14 ASN : amide:sc= -0.0527 X(o=-0.053,f=-0.23) USER MOD Set 2.2: A 16 GLN : amide:sc= 0 K(o=-0.053,f=-0.88) USER MOD Set 3.1: A 8 SER OG : rot -114:sc= 0.225! USER MOD Set 3.2: A 10 TYR OH : rot 150:sc= 0.268 USER MOD Single : A 1 SER N :NH3+ 144:sc= 0.0849 (180deg=0.00077) USER MOD Single : A 1 SER OG : rot 180:sc= 0.0745 USER MOD Single : A 2 LYS NZ :NH3+ -161:sc= -0.0191 (180deg=-0.272) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ -152:sc= -1.47 (180deg=-2.04) USER MOD Single : A 20 TYR OH : rot 80:sc= 3.69 USER MOD Single : A 22 CYS SG : rot -105:sc= 0.0934! USER MOD Single : A 24 CYS SG : rot 23:sc= 0.115 USER MOD Single : A 26 CYS SG : rot 180:sc= 0.112 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot -43:sc= 0.0908 USER MOD Single : A 36 CYS SG : rot 43:sc= -3.39 USER MOD Single : A 37 ASN : amide:sc= -2.82! K(o=-2.8!,f=-3.5) USER MOD Single : A 38 SER OG : rot 53:sc= 1.24 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.139 X(o=-0.14,f=-0.13) USER MOD Single : A 55 SER OG : rot 180:sc= -0.0927 USER MOD Single : A 57 HIS : no HD1:sc= -0.602! C(o=-0.6!,f=-6.7!) USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= -0.907 K(o=-0.91,f=0) USER MOD Single : A 66 TYR OH : rot 180:sc= -0.0587 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -1.86 X(o=-1.9,f=-1.8) USER MOD Single : A 81 SER OG : rot -124:sc= -0.983 USER MOD Single : A 82 CYS SG : rot -20:sc= -1.72! USER MOD Single : A 86 HIS : no HD1:sc= 0 X(o=0,f=-0.0057) USER MOD Single : A 88 SER OG : rot 155:sc= 0.818 USER MOD Single : A 89 SER OG : rot 180:sc= -0.0608 USER MOD Single : A 92 GLN : amide:sc= -0.154 X(o=-0.15,f=-0.63) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 GLN : amide:sc= -0.832 K(o=-0.83,f=-1.7) USER MOD Single : A 100 LYS NZ :NH3+ -114:sc= -2! (180deg=-3.1!) USER MOD Single : A 104 ASN : amide:sc= -2.15! K(o=-2.1!,f=-0.76) USER MOD Single : A 106 GLN : amide:sc= -20.1! C(o=-20!,f=-10!) USER MOD Single : A 107 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0.0482 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 118 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 122 HIS : no HD1:sc= -1.73! C(o=-1.7!,f=-3.6!) USER MOD Single : A 127 HIS : no HD1:sc= -1.59 K(o=-1.6,f=-4.5!) USER MOD Single : A 128 SER OG : rot -114:sc= -0.503 USER MOD Single : A 129 CYS SG : rot 53:sc= -1.59! USER MOD Single : A 130 LYS NZ :NH3+ 156:sc= -0.0654 (180deg=-0.767) USER MOD Single : A 135 THR OG1 : rot 175:sc= -3.75! USER MOD Single : A 139 TYR OH : rot 180:sc= -0.0237 USER MOD Single : A 143 ASN : amide:sc= -0.436 K(o=-0.44,f=-2.5!) USER MOD Single : A 144 TYR OH : rot 180:sc= 0 USER MOD Single : A 148 GLN : amide:sc= -0.71 K(o=-0.71,f=-2.5!) USER MOD Single : A 149 TYR OH : rot 180:sc= 0 USER MOD Single : A 153 LYS NZ :NH3+ -137:sc= -0.0292 (180deg=-0.475) USER MOD Single : A 154 LYS NZ :NH3+ -107:sc= 0.434 (180deg=-0.501) USER MOD Single : A 156 TYR OH : rot 47:sc= -0.0786 USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 166 SER OG : rot 180:sc= 0 USER MOD Single : A 170 GLN : amide:sc= -0.495 X(o=-0.5,f=-0.078) USER MOD Single : A 171 SER OG : rot -92:sc= -0.849 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -13.365 -17.188 -19.409 1.00 4.50 N ATOM 2 CA SER A 1 -14.413 -16.153 -19.638 1.00 4.52 C ATOM 3 C SER A 1 -13.910 -14.798 -19.136 1.00 3.57 C ATOM 4 O SER A 1 -12.726 -14.523 -19.145 1.00 3.03 O ATOM 5 CB SER A 1 -15.684 -16.538 -18.881 1.00 4.81 C ATOM 6 OG SER A 1 -16.008 -17.893 -19.164 1.00 5.28 O ATOM 0 H1 SER A 1 -13.817 -18.089 -19.155 1.00 4.50 H new ATOM 0 H2 SER A 1 -12.806 -17.314 -20.277 1.00 4.50 H new ATOM 0 H3 SER A 1 -12.740 -16.884 -18.635 1.00 4.50 H new ATOM 0 HA SER A 1 -14.632 -16.087 -20.704 1.00 4.52 H new ATOM 0 HB2 SER A 1 -15.537 -16.403 -17.809 1.00 4.81 H new ATOM 0 HB3 SER A 1 -16.507 -15.886 -19.174 1.00 4.81 H new ATOM 0 HG SER A 1 -16.822 -18.143 -18.678 1.00 5.28 H new ATOM 14 N LYS A 2 -14.798 -13.949 -18.697 1.00 3.60 N ATOM 15 CA LYS A 2 -14.367 -12.614 -18.196 1.00 3.08 C ATOM 16 C LYS A 2 -13.659 -12.781 -16.850 1.00 2.11 C ATOM 17 O LYS A 2 -14.112 -12.293 -15.833 1.00 2.12 O ATOM 18 CB LYS A 2 -15.593 -11.713 -18.031 1.00 3.28 C ATOM 19 CG LYS A 2 -16.382 -11.680 -19.342 1.00 3.95 C ATOM 20 CD LYS A 2 -17.657 -10.857 -19.150 1.00 4.66 C ATOM 21 CE LYS A 2 -18.354 -10.675 -20.499 1.00 5.66 C ATOM 22 NZ LYS A 2 -17.586 -9.703 -21.327 1.00 5.96 N ATOM 0 H LYS A 2 -15.803 -14.122 -18.664 1.00 3.60 H new ATOM 0 HA LYS A 2 -13.680 -12.158 -18.909 1.00 3.08 H new ATOM 0 HB2 LYS A 2 -16.224 -12.084 -17.224 1.00 3.28 H new ATOM 0 HB3 LYS A 2 -15.282 -10.705 -17.756 1.00 3.28 H new ATOM 0 HG2 LYS A 2 -15.772 -11.246 -20.135 1.00 3.95 H new ATOM 0 HG3 LYS A 2 -16.634 -12.694 -19.653 1.00 3.95 H new ATOM 0 HD2 LYS A 2 -18.324 -11.358 -18.449 1.00 4.66 H new ATOM 0 HD3 LYS A 2 -17.414 -9.885 -18.720 1.00 4.66 H new ATOM 0 HE2 LYS A 2 -18.426 -11.632 -21.015 1.00 5.66 H new ATOM 0 HE3 LYS A 2 -19.372 -10.317 -20.349 1.00 5.66 H new ATOM 0 HZ1 LYS A 2 -18.196 -9.333 -22.084 1.00 5.96 H new ATOM 0 HZ2 LYS A 2 -17.262 -8.917 -20.728 1.00 5.96 H new ATOM 0 HZ3 LYS A 2 -16.763 -10.180 -21.748 1.00 5.96 H new ATOM 36 N THR A 3 -12.533 -13.442 -16.841 1.00 1.72 N ATOM 37 CA THR A 3 -11.782 -13.603 -15.564 1.00 1.18 C ATOM 38 C THR A 3 -10.982 -12.324 -15.310 1.00 1.02 C ATOM 39 O THR A 3 -10.475 -11.718 -16.232 1.00 1.63 O ATOM 40 CB THR A 3 -10.783 -14.757 -15.668 1.00 1.48 C ATOM 41 OG1 THR A 3 -9.933 -14.548 -16.786 1.00 2.13 O ATOM 42 CG2 THR A 3 -11.539 -16.077 -15.839 1.00 2.22 C ATOM 0 H THR A 3 -12.103 -13.875 -17.658 1.00 1.72 H new ATOM 0 HA THR A 3 -12.492 -13.804 -14.762 1.00 1.18 H new ATOM 0 HB THR A 3 -10.183 -14.800 -14.759 1.00 1.48 H new ATOM 0 HG1 THR A 3 -9.292 -15.286 -16.852 1.00 2.13 H new ATOM 0 HG21 THR A 3 -10.826 -16.898 -15.913 1.00 2.22 H new ATOM 0 HG22 THR A 3 -12.189 -16.238 -14.979 1.00 2.22 H new ATOM 0 HG23 THR A 3 -12.141 -16.037 -16.747 1.00 2.22 H new ATOM 50 N GLY A 4 -10.856 -11.899 -14.083 1.00 0.52 N ATOM 51 CA GLY A 4 -10.074 -10.653 -13.843 1.00 0.30 C ATOM 52 C GLY A 4 -10.068 -10.255 -12.366 1.00 0.41 C ATOM 53 O GLY A 4 -10.655 -10.899 -11.520 1.00 0.81 O ATOM 0 H GLY A 4 -11.249 -12.347 -13.255 1.00 0.52 H new ATOM 0 HA2 GLY A 4 -9.049 -10.797 -14.184 1.00 0.30 H new ATOM 0 HA3 GLY A 4 -10.495 -9.841 -14.435 1.00 0.30 H new ATOM 57 N GLY A 5 -9.398 -9.175 -12.074 1.00 0.01 N ATOM 58 CA GLY A 5 -9.320 -8.672 -10.673 1.00 0.01 C ATOM 59 C GLY A 5 -10.615 -7.932 -10.325 1.00 0.01 C ATOM 60 O GLY A 5 -11.326 -7.471 -11.195 1.00 0.01 O ATOM 0 H GLY A 5 -8.893 -8.611 -12.758 1.00 0.01 H new ATOM 0 HA2 GLY A 5 -9.167 -9.503 -9.985 1.00 0.01 H new ATOM 0 HA3 GLY A 5 -8.466 -8.004 -10.562 1.00 0.01 H new ATOM 64 N LYS A 6 -10.926 -7.815 -9.060 1.00 0.00 N ATOM 65 CA LYS A 6 -12.179 -7.102 -8.654 1.00 0.01 C ATOM 66 C LYS A 6 -11.970 -6.360 -7.331 1.00 0.01 C ATOM 67 O LYS A 6 -11.437 -6.889 -6.377 1.00 0.00 O ATOM 68 CB LYS A 6 -13.325 -8.105 -8.495 1.00 0.02 C ATOM 69 CG LYS A 6 -14.655 -7.353 -8.405 1.00 0.02 C ATOM 70 CD LYS A 6 -15.743 -8.302 -7.900 1.00 0.02 C ATOM 71 CE LYS A 6 -15.810 -9.536 -8.804 1.00 0.02 C ATOM 72 NZ LYS A 6 -15.672 -9.120 -10.228 1.00 0.02 N ATOM 0 H LYS A 6 -10.368 -8.182 -8.289 1.00 0.00 H new ATOM 0 HA LYS A 6 -12.430 -6.381 -9.432 1.00 0.01 H new ATOM 0 HB2 LYS A 6 -13.341 -8.792 -9.341 1.00 0.02 H new ATOM 0 HB3 LYS A 6 -13.174 -8.706 -7.599 1.00 0.02 H new ATOM 0 HG2 LYS A 6 -14.559 -6.501 -7.732 1.00 0.02 H new ATOM 0 HG3 LYS A 6 -14.928 -6.957 -9.383 1.00 0.02 H new ATOM 0 HD2 LYS A 6 -15.530 -8.602 -6.874 1.00 0.02 H new ATOM 0 HD3 LYS A 6 -16.707 -7.793 -7.890 1.00 0.02 H new ATOM 0 HE2 LYS A 6 -15.017 -10.236 -8.541 1.00 0.02 H new ATOM 0 HE3 LYS A 6 -16.756 -10.056 -8.657 1.00 0.02 H new ATOM 0 HZ1 LYS A 6 -16.165 -9.802 -10.838 1.00 0.02 H new ATOM 0 HZ2 LYS A 6 -16.089 -8.176 -10.356 1.00 0.02 H new ATOM 0 HZ3 LYS A 6 -14.665 -9.091 -10.485 1.00 0.02 H new ATOM 86 N ILE A 7 -12.423 -5.130 -7.277 1.00 0.02 N ATOM 87 CA ILE A 7 -12.307 -4.309 -6.031 1.00 0.00 C ATOM 88 C ILE A 7 -13.688 -3.725 -5.717 1.00 0.02 C ATOM 89 O ILE A 7 -14.403 -3.299 -6.604 1.00 0.01 O ATOM 90 CB ILE A 7 -11.268 -3.200 -6.232 1.00 0.02 C ATOM 91 CG1 ILE A 7 -11.319 -2.227 -5.050 1.00 0.02 C ATOM 92 CG2 ILE A 7 -11.559 -2.444 -7.523 1.00 0.01 C ATOM 93 CD1 ILE A 7 -10.107 -1.290 -5.104 1.00 0.02 C ATOM 0 H ILE A 7 -12.875 -4.653 -8.057 1.00 0.02 H new ATOM 0 HA ILE A 7 -11.975 -4.923 -5.194 1.00 0.00 H new ATOM 0 HB ILE A 7 -10.276 -3.648 -6.293 1.00 0.02 H new ATOM 0 HG12 ILE A 7 -12.242 -1.647 -5.082 1.00 0.02 H new ATOM 0 HG13 ILE A 7 -11.323 -2.780 -4.111 1.00 0.02 H new ATOM 0 HG21 ILE A 7 -10.817 -1.657 -7.659 1.00 0.01 H new ATOM 0 HG22 ILE A 7 -11.516 -3.134 -8.366 1.00 0.01 H new ATOM 0 HG23 ILE A 7 -12.553 -1.999 -7.468 1.00 0.01 H new ATOM 0 HD11 ILE A 7 -10.144 -0.598 -4.263 1.00 0.02 H new ATOM 0 HD12 ILE A 7 -9.190 -1.877 -5.051 1.00 0.02 H new ATOM 0 HD13 ILE A 7 -10.123 -0.727 -6.037 1.00 0.02 H new ATOM 105 N SER A 8 -14.067 -3.700 -4.461 1.00 0.02 N ATOM 106 CA SER A 8 -15.407 -3.142 -4.071 1.00 0.02 C ATOM 107 C SER A 8 -15.229 -1.990 -3.076 1.00 0.01 C ATOM 108 O SER A 8 -14.541 -2.110 -2.084 1.00 0.02 O ATOM 109 CB SER A 8 -16.259 -4.241 -3.425 1.00 0.30 C ATOM 110 OG SER A 8 -17.110 -3.665 -2.442 1.00 0.39 O ATOM 0 H SER A 8 -13.504 -4.044 -3.683 1.00 0.02 H new ATOM 0 HA SER A 8 -15.906 -2.771 -4.966 1.00 0.02 H new ATOM 0 HB2 SER A 8 -16.854 -4.748 -4.184 1.00 0.30 H new ATOM 0 HB3 SER A 8 -15.616 -4.994 -2.969 1.00 0.30 H new ATOM 0 HG SER A 8 -16.855 -3.995 -1.555 1.00 0.39 H new ATOM 116 N PHE A 9 -15.872 -0.874 -3.337 1.00 0.02 N ATOM 117 CA PHE A 9 -15.787 0.308 -2.419 1.00 0.01 C ATOM 118 C PHE A 9 -17.142 0.502 -1.722 1.00 0.01 C ATOM 119 O PHE A 9 -18.181 0.348 -2.337 1.00 0.02 O ATOM 120 CB PHE A 9 -15.462 1.566 -3.237 1.00 0.02 C ATOM 121 CG PHE A 9 -14.401 1.261 -4.269 1.00 0.01 C ATOM 122 CD1 PHE A 9 -14.740 0.558 -5.431 1.00 0.01 C ATOM 123 CD2 PHE A 9 -13.082 1.690 -4.071 1.00 0.01 C ATOM 124 CE1 PHE A 9 -13.762 0.284 -6.394 1.00 0.02 C ATOM 125 CE2 PHE A 9 -12.104 1.417 -5.035 1.00 0.02 C ATOM 126 CZ PHE A 9 -12.445 0.714 -6.195 1.00 0.02 C ATOM 0 H PHE A 9 -16.460 -0.731 -4.158 1.00 0.02 H new ATOM 0 HA PHE A 9 -15.007 0.139 -1.677 1.00 0.01 H new ATOM 0 HB2 PHE A 9 -16.363 1.931 -3.729 1.00 0.02 H new ATOM 0 HB3 PHE A 9 -15.117 2.360 -2.574 1.00 0.02 H new ATOM 0 HD1 PHE A 9 -15.756 0.227 -5.584 1.00 0.01 H new ATOM 0 HD2 PHE A 9 -12.820 2.232 -3.174 1.00 0.01 H new ATOM 0 HE1 PHE A 9 -14.023 -0.259 -7.290 1.00 0.02 H new ATOM 0 HE2 PHE A 9 -11.088 1.749 -4.883 1.00 0.02 H new ATOM 0 HZ PHE A 9 -11.691 0.503 -6.939 1.00 0.02 H new ATOM 136 N TYR A 10 -17.144 0.836 -0.450 1.00 0.02 N ATOM 137 CA TYR A 10 -18.439 1.039 0.289 1.00 0.01 C ATOM 138 C TYR A 10 -18.478 2.459 0.863 1.00 0.02 C ATOM 139 O TYR A 10 -17.487 2.969 1.350 1.00 0.01 O ATOM 140 CB TYR A 10 -18.537 0.039 1.448 1.00 0.02 C ATOM 141 CG TYR A 10 -18.170 -1.353 0.976 1.00 0.02 C ATOM 142 CD1 TYR A 10 -16.838 -1.668 0.686 1.00 0.02 C ATOM 143 CD2 TYR A 10 -19.164 -2.333 0.843 1.00 0.00 C ATOM 144 CE1 TYR A 10 -16.498 -2.960 0.264 1.00 0.02 C ATOM 145 CE2 TYR A 10 -18.823 -3.623 0.419 1.00 0.02 C ATOM 146 CZ TYR A 10 -17.491 -3.936 0.131 1.00 0.00 C ATOM 147 OH TYR A 10 -17.155 -5.209 -0.286 1.00 0.02 O ATOM 0 H TYR A 10 -16.304 0.977 0.111 1.00 0.02 H new ATOM 0 HA TYR A 10 -19.270 0.888 -0.400 1.00 0.01 H new ATOM 0 HB2 TYR A 10 -17.872 0.343 2.256 1.00 0.02 H new ATOM 0 HB3 TYR A 10 -19.550 0.038 1.851 1.00 0.02 H new ATOM 0 HD1 TYR A 10 -16.071 -0.914 0.788 1.00 0.02 H new ATOM 0 HD2 TYR A 10 -20.193 -2.093 1.068 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -15.469 -3.202 0.041 1.00 0.02 H new ATOM 0 HE2 TYR A 10 -19.589 -4.377 0.314 1.00 0.02 H new ATOM 0 HH TYR A 10 -17.778 -5.857 0.106 1.00 0.02 H new ATOM 157 N GLU A 11 -19.607 3.116 0.781 1.00 0.00 N ATOM 158 CA GLU A 11 -19.691 4.516 1.288 1.00 0.02 C ATOM 159 C GLU A 11 -19.591 4.567 2.815 1.00 0.03 C ATOM 160 O GLU A 11 -19.156 5.560 3.364 1.00 0.03 O ATOM 161 CB GLU A 11 -21.025 5.131 0.863 1.00 0.00 C ATOM 162 CG GLU A 11 -21.128 5.123 -0.660 1.00 0.00 C ATOM 163 CD GLU A 11 -22.328 5.965 -1.096 1.00 0.02 C ATOM 164 OE1 GLU A 11 -23.390 5.792 -0.519 1.00 0.02 O ATOM 165 OE2 GLU A 11 -22.165 6.771 -1.998 1.00 0.01 O ATOM 0 H GLU A 11 -20.471 2.744 0.386 1.00 0.00 H new ATOM 0 HA GLU A 11 -18.856 5.076 0.866 1.00 0.02 H new ATOM 0 HB2 GLU A 11 -21.852 4.568 1.297 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -21.103 6.152 1.238 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -20.213 5.521 -1.099 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -21.237 4.101 -1.022 1.00 0.00 H new ATOM 172 N ASP A 12 -19.986 3.526 3.515 1.00 0.02 N ATOM 173 CA ASP A 12 -19.906 3.548 5.013 1.00 0.01 C ATOM 174 C ASP A 12 -18.888 2.514 5.504 1.00 0.02 C ATOM 175 O ASP A 12 -18.404 1.687 4.759 1.00 0.02 O ATOM 176 CB ASP A 12 -21.274 3.209 5.607 1.00 0.01 C ATOM 177 CG ASP A 12 -22.350 4.062 4.932 1.00 0.01 C ATOM 178 OD1 ASP A 12 -22.018 4.771 3.996 1.00 0.03 O ATOM 179 OD2 ASP A 12 -23.489 3.992 5.363 1.00 0.02 O ATOM 0 H ASP A 12 -20.359 2.665 3.115 1.00 0.02 H new ATOM 0 HA ASP A 12 -19.596 4.544 5.329 1.00 0.01 H new ATOM 0 HB2 ASP A 12 -21.492 2.151 5.465 1.00 0.01 H new ATOM 0 HB3 ASP A 12 -21.271 3.392 6.682 1.00 0.01 H new ATOM 184 N ARG A 13 -18.566 2.577 6.764 1.00 0.02 N ATOM 185 CA ARG A 13 -17.579 1.630 7.358 1.00 0.02 C ATOM 186 C ARG A 13 -18.222 0.256 7.567 1.00 0.00 C ATOM 187 O ARG A 13 -19.426 0.123 7.652 1.00 0.02 O ATOM 188 CB ARG A 13 -17.127 2.190 8.710 1.00 0.00 C ATOM 189 CG ARG A 13 -16.152 3.347 8.485 1.00 0.01 C ATOM 190 CD ARG A 13 -15.777 3.968 9.831 1.00 0.02 C ATOM 191 NE ARG A 13 -17.015 4.356 10.562 1.00 0.03 N ATOM 192 CZ ARG A 13 -16.966 4.620 11.838 1.00 0.02 C ATOM 193 NH1 ARG A 13 -15.829 4.548 12.477 1.00 0.02 N ATOM 194 NH2 ARG A 13 -18.053 4.957 12.476 1.00 0.02 N ATOM 0 H ARG A 13 -18.951 3.256 7.420 1.00 0.02 H new ATOM 0 HA ARG A 13 -16.728 1.518 6.686 1.00 0.02 H new ATOM 0 HB2 ARG A 13 -17.990 2.534 9.280 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -16.649 1.407 9.298 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -15.257 2.989 7.976 1.00 0.01 H new ATOM 0 HG3 ARG A 13 -16.606 4.099 7.840 1.00 0.01 H new ATOM 0 HD2 ARG A 13 -15.200 3.258 10.423 1.00 0.02 H new ATOM 0 HD3 ARG A 13 -15.144 4.842 9.676 1.00 0.02 H new ATOM 0 HE ARG A 13 -17.903 4.415 10.064 1.00 0.03 H new ATOM 0 HH11 ARG A 13 -14.979 4.285 11.978 1.00 0.02 H new ATOM 0 HH12 ARG A 13 -15.791 4.755 13.475 1.00 0.02 H new ATOM 0 HH21 ARG A 13 -18.941 5.014 11.977 1.00 0.02 H new ATOM 0 HH22 ARG A 13 -18.015 5.164 13.474 1.00 0.02 H new ATOM 208 N ASN A 14 -17.406 -0.761 7.665 1.00 0.02 N ATOM 209 CA ASN A 14 -17.916 -2.147 7.891 1.00 0.02 C ATOM 210 C ASN A 14 -18.722 -2.642 6.686 1.00 0.02 C ATOM 211 O ASN A 14 -19.649 -3.417 6.806 1.00 0.02 O ATOM 212 CB ASN A 14 -18.778 -2.164 9.161 1.00 0.26 C ATOM 213 CG ASN A 14 -18.871 -3.593 9.705 1.00 0.12 C ATOM 214 OD1 ASN A 14 -17.865 -4.229 9.950 1.00 0.74 O ATOM 215 ND2 ASN A 14 -20.045 -4.128 9.902 1.00 0.46 N ATOM 0 H ASN A 14 -16.391 -0.689 7.597 1.00 0.02 H new ATOM 0 HA ASN A 14 -17.069 -2.821 8.016 1.00 0.02 H new ATOM 0 HB2 ASN A 14 -18.345 -1.506 9.914 1.00 0.26 H new ATOM 0 HB3 ASN A 14 -19.775 -1.783 8.940 1.00 0.26 H new ATOM 0 HD21 ASN A 14 -20.118 -5.080 10.262 1.00 0.46 H new ATOM 0 HD22 ASN A 14 -20.890 -3.594 9.696 1.00 0.46 H new ATOM 222 N PHE A 15 -18.326 -2.213 5.516 1.00 0.02 N ATOM 223 CA PHE A 15 -18.997 -2.658 4.257 1.00 0.02 C ATOM 224 C PHE A 15 -20.501 -2.374 4.293 1.00 0.00 C ATOM 225 O PHE A 15 -21.305 -3.181 3.869 1.00 0.02 O ATOM 226 CB PHE A 15 -18.761 -4.167 4.072 1.00 0.02 C ATOM 227 CG PHE A 15 -17.402 -4.539 4.621 1.00 0.02 C ATOM 228 CD1 PHE A 15 -16.248 -4.271 3.876 1.00 0.02 C ATOM 229 CD2 PHE A 15 -17.297 -5.149 5.878 1.00 0.02 C ATOM 230 CE1 PHE A 15 -14.991 -4.614 4.385 1.00 0.02 C ATOM 231 CE2 PHE A 15 -16.039 -5.493 6.386 1.00 0.02 C ATOM 232 CZ PHE A 15 -14.887 -5.225 5.641 1.00 0.02 C ATOM 0 H PHE A 15 -17.553 -1.562 5.377 1.00 0.02 H new ATOM 0 HA PHE A 15 -18.572 -2.101 3.422 1.00 0.02 H new ATOM 0 HB2 PHE A 15 -19.539 -4.733 4.585 1.00 0.02 H new ATOM 0 HB3 PHE A 15 -18.821 -4.428 3.015 1.00 0.02 H new ATOM 0 HD1 PHE A 15 -16.328 -3.799 2.908 1.00 0.02 H new ATOM 0 HD2 PHE A 15 -18.187 -5.354 6.455 1.00 0.02 H new ATOM 0 HE1 PHE A 15 -14.101 -4.408 3.809 1.00 0.02 H new ATOM 0 HE2 PHE A 15 -15.958 -5.966 7.354 1.00 0.02 H new ATOM 0 HZ PHE A 15 -13.916 -5.489 6.034 1.00 0.02 H new ATOM 242 N GLN A 16 -20.878 -1.220 4.778 1.00 0.02 N ATOM 243 CA GLN A 16 -22.323 -0.837 4.831 1.00 0.02 C ATOM 244 C GLN A 16 -22.546 0.344 3.878 1.00 0.02 C ATOM 245 O GLN A 16 -21.605 0.971 3.427 1.00 0.02 O ATOM 246 CB GLN A 16 -22.679 -0.408 6.259 1.00 0.02 C ATOM 247 CG GLN A 16 -22.857 -1.649 7.138 1.00 0.00 C ATOM 248 CD GLN A 16 -23.160 -1.220 8.573 1.00 0.00 C ATOM 249 OE1 GLN A 16 -22.423 -1.541 9.484 1.00 0.02 O ATOM 250 NE2 GLN A 16 -24.223 -0.502 8.817 1.00 0.02 N ATOM 0 H GLN A 16 -20.238 -0.516 5.145 1.00 0.02 H new ATOM 0 HA GLN A 16 -22.948 -1.681 4.539 1.00 0.02 H new ATOM 0 HB2 GLN A 16 -21.893 0.228 6.665 1.00 0.02 H new ATOM 0 HB3 GLN A 16 -23.596 0.182 6.255 1.00 0.02 H new ATOM 0 HG2 GLN A 16 -23.668 -2.267 6.753 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -21.953 -2.258 7.113 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -24.842 -0.232 8.053 1.00 0.02 H new ATOM 0 HE22 GLN A 16 -24.434 -0.211 9.772 1.00 0.02 H new ATOM 259 N GLY A 17 -23.776 0.656 3.565 1.00 0.03 N ATOM 260 CA GLY A 17 -24.043 1.803 2.646 1.00 0.03 C ATOM 261 C GLY A 17 -24.051 1.338 1.185 1.00 0.02 C ATOM 262 O GLY A 17 -24.070 0.158 0.897 1.00 0.02 O ATOM 0 H GLY A 17 -24.605 0.168 3.904 1.00 0.03 H new ATOM 0 HA2 GLY A 17 -25.002 2.257 2.893 1.00 0.03 H new ATOM 0 HA3 GLY A 17 -23.282 2.571 2.784 1.00 0.03 H new ATOM 266 N ARG A 18 -24.024 2.264 0.265 1.00 0.00 N ATOM 267 CA ARG A 18 -24.017 1.897 -1.182 1.00 0.02 C ATOM 268 C ARG A 18 -22.672 1.255 -1.529 1.00 0.02 C ATOM 269 O ARG A 18 -21.638 1.633 -1.010 1.00 0.02 O ATOM 270 CB ARG A 18 -24.221 3.161 -2.023 1.00 0.79 C ATOM 271 CG ARG A 18 -24.605 2.765 -3.456 1.00 1.49 C ATOM 272 CD ARG A 18 -24.500 3.986 -4.399 1.00 1.42 C ATOM 273 NE ARG A 18 -25.697 4.043 -5.301 1.00 2.07 N ATOM 274 CZ ARG A 18 -26.124 2.980 -5.931 1.00 2.35 C ATOM 275 NH1 ARG A 18 -25.450 1.864 -5.879 1.00 2.53 N ATOM 276 NH2 ARG A 18 -27.215 3.047 -6.645 1.00 2.76 N ATOM 0 H ARG A 18 -24.006 3.266 0.454 1.00 0.00 H new ATOM 0 HA ARG A 18 -24.820 1.191 -1.392 1.00 0.02 H new ATOM 0 HB2 ARG A 18 -25.003 3.781 -1.584 1.00 0.79 H new ATOM 0 HB3 ARG A 18 -23.308 3.757 -2.031 1.00 0.79 H new ATOM 0 HG2 ARG A 18 -23.950 1.968 -3.808 1.00 1.49 H new ATOM 0 HG3 ARG A 18 -25.622 2.372 -3.471 1.00 1.49 H new ATOM 0 HD2 ARG A 18 -24.432 4.903 -3.814 1.00 1.42 H new ATOM 0 HD3 ARG A 18 -23.589 3.919 -4.994 1.00 1.42 H new ATOM 0 HE ARG A 18 -26.188 4.929 -5.425 1.00 2.07 H new ATOM 0 HH11 ARG A 18 -24.583 1.816 -5.344 1.00 2.53 H new ATOM 0 HH12 ARG A 18 -25.790 1.039 -6.373 1.00 2.53 H new ATOM 0 HH21 ARG A 18 -27.729 3.925 -6.709 1.00 2.76 H new ATOM 0 HH22 ARG A 18 -27.553 2.221 -7.139 1.00 2.76 H new ATOM 290 N ARG A 19 -22.687 0.264 -2.389 1.00 0.02 N ATOM 291 CA ARG A 19 -21.427 -0.449 -2.770 1.00 0.02 C ATOM 292 C ARG A 19 -21.205 -0.354 -4.283 1.00 0.02 C ATOM 293 O ARG A 19 -22.138 -0.331 -5.061 1.00 0.02 O ATOM 294 CB ARG A 19 -21.582 -1.927 -2.388 1.00 0.85 C ATOM 295 CG ARG A 19 -20.254 -2.671 -2.565 1.00 1.31 C ATOM 296 CD ARG A 19 -20.511 -4.179 -2.533 1.00 1.34 C ATOM 297 NE ARG A 19 -19.226 -4.910 -2.722 1.00 1.50 N ATOM 298 CZ ARG A 19 -19.150 -6.180 -2.432 1.00 1.63 C ATOM 299 NH1 ARG A 19 -20.197 -6.810 -1.974 1.00 1.72 N ATOM 300 NH2 ARG A 19 -18.025 -6.819 -2.602 1.00 1.89 N ATOM 0 H ARG A 19 -23.529 -0.085 -2.848 1.00 0.02 H new ATOM 0 HA ARG A 19 -20.579 0.003 -2.255 1.00 0.02 H new ATOM 0 HB2 ARG A 19 -21.915 -2.008 -1.353 1.00 0.85 H new ATOM 0 HB3 ARG A 19 -22.350 -2.390 -3.008 1.00 0.85 H new ATOM 0 HG2 ARG A 19 -19.789 -2.390 -3.510 1.00 1.31 H new ATOM 0 HG3 ARG A 19 -19.559 -2.392 -1.773 1.00 1.31 H new ATOM 0 HD2 ARG A 19 -20.965 -4.461 -1.583 1.00 1.34 H new ATOM 0 HD3 ARG A 19 -21.216 -4.454 -3.317 1.00 1.34 H new ATOM 0 HE ARG A 19 -18.406 -4.418 -3.078 1.00 1.50 H new ATOM 0 HH11 ARG A 19 -21.076 -6.310 -1.842 1.00 1.72 H new ATOM 0 HH12 ARG A 19 -20.136 -7.803 -1.748 1.00 1.72 H new ATOM 0 HH21 ARG A 19 -17.207 -6.326 -2.961 1.00 1.89 H new ATOM 0 HH22 ARG A 19 -17.963 -7.812 -2.376 1.00 1.89 H new ATOM 314 N TYR A 20 -19.962 -0.338 -4.697 1.00 0.02 N ATOM 315 CA TYR A 20 -19.638 -0.289 -6.160 1.00 0.02 C ATOM 316 C TYR A 20 -18.527 -1.301 -6.453 1.00 0.02 C ATOM 317 O TYR A 20 -17.522 -1.333 -5.776 1.00 0.02 O ATOM 318 CB TYR A 20 -19.191 1.125 -6.579 1.00 0.02 C ATOM 319 CG TYR A 20 -19.476 1.322 -8.058 1.00 0.01 C ATOM 320 CD1 TYR A 20 -20.797 1.293 -8.524 1.00 0.02 C ATOM 321 CD2 TYR A 20 -18.422 1.515 -8.963 1.00 0.01 C ATOM 322 CE1 TYR A 20 -21.066 1.456 -9.888 1.00 0.02 C ATOM 323 CE2 TYR A 20 -18.694 1.683 -10.327 1.00 0.02 C ATOM 324 CZ TYR A 20 -20.015 1.652 -10.789 1.00 0.02 C ATOM 325 OH TYR A 20 -20.279 1.812 -12.134 1.00 0.01 O ATOM 0 H TYR A 20 -19.150 -0.357 -4.080 1.00 0.02 H new ATOM 0 HA TYR A 20 -20.531 -0.539 -6.733 1.00 0.02 H new ATOM 0 HB2 TYR A 20 -19.720 1.875 -5.992 1.00 0.02 H new ATOM 0 HB3 TYR A 20 -18.127 1.257 -6.381 1.00 0.02 H new ATOM 0 HD1 TYR A 20 -21.610 1.144 -7.829 1.00 0.02 H new ATOM 0 HD2 TYR A 20 -17.402 1.534 -8.609 1.00 0.01 H new ATOM 0 HE1 TYR A 20 -22.085 1.430 -10.244 1.00 0.02 H new ATOM 0 HE2 TYR A 20 -17.883 1.837 -11.023 1.00 0.02 H new ATOM 0 HH TYR A 20 -20.563 2.734 -12.304 1.00 0.01 H new ATOM 335 N ASP A 21 -18.703 -2.126 -7.455 1.00 0.01 N ATOM 336 CA ASP A 21 -17.666 -3.152 -7.805 1.00 0.02 C ATOM 337 C ASP A 21 -17.035 -2.798 -9.155 1.00 0.00 C ATOM 338 O ASP A 21 -17.711 -2.405 -10.085 1.00 0.01 O ATOM 339 CB ASP A 21 -18.346 -4.520 -7.905 1.00 0.12 C ATOM 340 CG ASP A 21 -19.512 -4.442 -8.893 1.00 0.41 C ATOM 341 OD1 ASP A 21 -20.132 -3.395 -8.967 1.00 1.12 O ATOM 342 OD2 ASP A 21 -19.763 -5.433 -9.558 1.00 0.56 O ATOM 0 H ASP A 21 -19.529 -2.134 -8.053 1.00 0.01 H new ATOM 0 HA ASP A 21 -16.890 -3.175 -7.040 1.00 0.02 H new ATOM 0 HB2 ASP A 21 -17.628 -5.271 -8.233 1.00 0.12 H new ATOM 0 HB3 ASP A 21 -18.707 -4.831 -6.925 1.00 0.12 H new ATOM 347 N CYS A 22 -15.731 -2.931 -9.259 1.00 0.01 N ATOM 348 CA CYS A 22 -15.024 -2.600 -10.541 1.00 0.00 C ATOM 349 C CYS A 22 -14.099 -3.755 -10.930 1.00 0.02 C ATOM 350 O CYS A 22 -13.449 -4.355 -10.094 1.00 0.01 O ATOM 351 CB CYS A 22 -14.206 -1.322 -10.359 1.00 0.00 C ATOM 352 SG CYS A 22 -13.522 -0.819 -11.958 1.00 0.02 S ATOM 0 H CYS A 22 -15.123 -3.256 -8.507 1.00 0.01 H new ATOM 0 HA CYS A 22 -15.759 -2.447 -11.331 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -14.834 -0.529 -9.953 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -13.402 -1.490 -9.643 1.00 0.00 H new ATOM 0 HG CYS A 22 -12.253 -1.099 -11.995 1.00 0.02 H new ATOM 358 N ASP A 23 -14.047 -4.072 -12.203 1.00 0.01 N ATOM 359 CA ASP A 23 -13.182 -5.194 -12.689 1.00 0.02 C ATOM 360 C ASP A 23 -12.116 -4.662 -13.652 1.00 0.00 C ATOM 361 O ASP A 23 -11.440 -5.423 -14.316 1.00 0.02 O ATOM 362 CB ASP A 23 -14.060 -6.217 -13.413 1.00 0.16 C ATOM 363 CG ASP A 23 -14.989 -5.495 -14.391 1.00 0.17 C ATOM 364 OD1 ASP A 23 -14.679 -4.372 -14.754 1.00 0.17 O ATOM 365 OD2 ASP A 23 -15.996 -6.077 -14.761 1.00 0.20 O ATOM 0 H ASP A 23 -14.574 -3.595 -12.934 1.00 0.01 H new ATOM 0 HA ASP A 23 -12.684 -5.662 -11.839 1.00 0.02 H new ATOM 0 HB2 ASP A 23 -13.436 -6.932 -13.949 1.00 0.16 H new ATOM 0 HB3 ASP A 23 -14.646 -6.784 -12.690 1.00 0.16 H new ATOM 370 N CYS A 24 -11.942 -3.368 -13.729 1.00 0.01 N ATOM 371 CA CYS A 24 -10.903 -2.803 -14.643 1.00 0.01 C ATOM 372 C CYS A 24 -10.544 -1.392 -14.164 1.00 0.01 C ATOM 373 O CYS A 24 -11.144 -0.877 -13.242 1.00 0.01 O ATOM 374 CB CYS A 24 -11.453 -2.742 -16.071 1.00 0.62 C ATOM 375 SG CYS A 24 -11.395 -4.394 -16.811 1.00 1.23 S ATOM 0 H CYS A 24 -12.474 -2.678 -13.199 1.00 0.01 H new ATOM 0 HA CYS A 24 -10.014 -3.434 -14.634 1.00 0.01 H new ATOM 0 HB2 CYS A 24 -12.478 -2.372 -16.062 1.00 0.62 H new ATOM 0 HB3 CYS A 24 -10.867 -2.043 -16.668 1.00 0.62 H new ATOM 0 HG CYS A 24 -11.377 -5.291 -15.870 1.00 1.23 H new ATOM 381 N ASP A 25 -9.572 -0.755 -14.768 1.00 0.02 N ATOM 382 CA ASP A 25 -9.191 0.619 -14.324 1.00 0.01 C ATOM 383 C ASP A 25 -10.370 1.576 -14.511 1.00 0.02 C ATOM 384 O ASP A 25 -11.122 1.471 -15.461 1.00 0.00 O ATOM 385 CB ASP A 25 -8.020 1.112 -15.177 1.00 0.01 C ATOM 386 CG ASP A 25 -6.892 0.082 -15.137 1.00 0.01 C ATOM 387 OD1 ASP A 25 -7.158 -1.069 -15.443 1.00 0.01 O ATOM 388 OD2 ASP A 25 -5.783 0.460 -14.799 1.00 0.01 O ATOM 0 H ASP A 25 -9.028 -1.126 -15.547 1.00 0.02 H new ATOM 0 HA ASP A 25 -8.910 0.589 -13.271 1.00 0.01 H new ATOM 0 HB2 ASP A 25 -8.346 1.270 -16.205 1.00 0.01 H new ATOM 0 HB3 ASP A 25 -7.664 2.072 -14.804 1.00 0.01 H new ATOM 393 N CYS A 26 -10.517 2.531 -13.624 1.00 0.01 N ATOM 394 CA CYS A 26 -11.626 3.534 -13.751 1.00 0.01 C ATOM 395 C CYS A 26 -11.049 4.940 -13.518 1.00 0.01 C ATOM 396 O CYS A 26 -10.488 5.230 -12.480 1.00 0.01 O ATOM 397 CB CYS A 26 -12.730 3.230 -12.727 1.00 0.01 C ATOM 398 SG CYS A 26 -14.348 3.648 -13.427 1.00 0.02 S ATOM 0 H CYS A 26 -9.913 2.661 -12.812 1.00 0.01 H new ATOM 0 HA CYS A 26 -12.063 3.481 -14.748 1.00 0.01 H new ATOM 0 HB2 CYS A 26 -12.704 2.175 -12.452 1.00 0.01 H new ATOM 0 HB3 CYS A 26 -12.560 3.801 -11.814 1.00 0.01 H new ATOM 0 HG CYS A 26 -15.278 3.383 -12.558 1.00 0.02 H new ATOM 404 N ALA A 27 -11.144 5.797 -14.497 1.00 0.01 N ATOM 405 CA ALA A 27 -10.560 7.162 -14.357 1.00 0.01 C ATOM 406 C ALA A 27 -11.441 8.071 -13.490 1.00 0.01 C ATOM 407 O ALA A 27 -10.989 9.086 -13.001 1.00 0.02 O ATOM 408 CB ALA A 27 -10.396 7.787 -15.743 1.00 0.24 C ATOM 0 H ALA A 27 -11.601 5.611 -15.390 1.00 0.01 H new ATOM 0 HA ALA A 27 -9.592 7.065 -13.866 1.00 0.01 H new ATOM 0 HB1 ALA A 27 -9.969 8.785 -15.644 1.00 0.24 H new ATOM 0 HB2 ALA A 27 -9.732 7.167 -16.346 1.00 0.24 H new ATOM 0 HB3 ALA A 27 -11.369 7.855 -16.229 1.00 0.24 H new ATOM 414 N ASP A 28 -12.693 7.748 -13.310 1.00 0.01 N ATOM 415 CA ASP A 28 -13.571 8.642 -12.486 1.00 0.02 C ATOM 416 C ASP A 28 -14.727 7.851 -11.867 1.00 0.01 C ATOM 417 O ASP A 28 -15.652 7.452 -12.547 1.00 0.02 O ATOM 418 CB ASP A 28 -14.135 9.757 -13.370 1.00 0.67 C ATOM 419 CG ASP A 28 -12.985 10.492 -14.058 1.00 0.90 C ATOM 420 OD1 ASP A 28 -12.476 9.971 -15.038 1.00 1.14 O ATOM 421 OD2 ASP A 28 -12.631 11.563 -13.594 1.00 0.87 O ATOM 0 H ASP A 28 -13.146 6.917 -13.690 1.00 0.01 H new ATOM 0 HA ASP A 28 -12.972 9.070 -11.682 1.00 0.02 H new ATOM 0 HB2 ASP A 28 -14.811 9.338 -14.116 1.00 0.67 H new ATOM 0 HB3 ASP A 28 -14.718 10.454 -12.768 1.00 0.67 H new ATOM 426 N PHE A 29 -14.686 7.625 -10.574 1.00 0.02 N ATOM 427 CA PHE A 29 -15.780 6.867 -9.887 1.00 0.02 C ATOM 428 C PHE A 29 -16.776 7.859 -9.273 1.00 0.00 C ATOM 429 O PHE A 29 -17.656 7.485 -8.525 1.00 0.02 O ATOM 430 CB PHE A 29 -15.183 6.039 -8.730 1.00 2.87 C ATOM 431 CG PHE A 29 -14.628 4.710 -9.207 1.00 3.99 C ATOM 432 CD1 PHE A 29 -15.459 3.781 -9.855 1.00 4.52 C ATOM 433 CD2 PHE A 29 -13.283 4.390 -8.965 1.00 4.68 C ATOM 434 CE1 PHE A 29 -14.939 2.547 -10.264 1.00 5.75 C ATOM 435 CE2 PHE A 29 -12.774 3.154 -9.370 1.00 5.85 C ATOM 436 CZ PHE A 29 -13.598 2.235 -10.021 1.00 6.37 C ATOM 0 H PHE A 29 -13.933 7.937 -9.960 1.00 0.02 H new ATOM 0 HA PHE A 29 -16.272 6.220 -10.613 1.00 0.02 H new ATOM 0 HB2 PHE A 29 -14.390 6.610 -8.247 1.00 2.87 H new ATOM 0 HB3 PHE A 29 -15.951 5.862 -7.978 1.00 2.87 H new ATOM 0 HD1 PHE A 29 -16.497 4.018 -10.037 1.00 4.52 H new ATOM 0 HD2 PHE A 29 -12.641 5.100 -8.465 1.00 4.68 H new ATOM 0 HE1 PHE A 29 -15.575 1.835 -10.768 1.00 5.75 H new ATOM 0 HE2 PHE A 29 -11.740 2.909 -9.179 1.00 5.85 H new ATOM 0 HZ PHE A 29 -13.200 1.282 -10.337 1.00 6.37 H new ATOM 446 N ARG A 30 -16.596 9.125 -9.530 1.00 0.01 N ATOM 447 CA ARG A 30 -17.478 10.152 -8.910 1.00 0.00 C ATOM 448 C ARG A 30 -18.945 9.960 -9.292 1.00 0.01 C ATOM 449 O ARG A 30 -19.827 10.313 -8.534 1.00 0.02 O ATOM 450 CB ARG A 30 -17.031 11.547 -9.350 1.00 0.32 C ATOM 451 CG ARG A 30 -15.649 11.847 -8.765 1.00 0.86 C ATOM 452 CD ARG A 30 -15.256 13.289 -9.095 1.00 1.62 C ATOM 453 NE ARG A 30 -15.201 13.462 -10.574 1.00 2.25 N ATOM 454 CZ ARG A 30 -15.172 14.660 -11.090 1.00 2.70 C ATOM 455 NH1 ARG A 30 -15.187 15.705 -10.308 1.00 3.11 N ATOM 456 NH2 ARG A 30 -15.127 14.811 -12.385 1.00 3.02 N ATOM 0 H ARG A 30 -15.872 9.494 -10.146 1.00 0.01 H new ATOM 0 HA ARG A 30 -17.392 10.042 -7.829 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -16.997 11.604 -10.438 1.00 0.32 H new ATOM 0 HB3 ARG A 30 -17.750 12.294 -9.014 1.00 0.32 H new ATOM 0 HG2 ARG A 30 -15.660 11.700 -7.685 1.00 0.86 H new ATOM 0 HG3 ARG A 30 -14.912 11.156 -9.173 1.00 0.86 H new ATOM 0 HD2 ARG A 30 -15.978 13.982 -8.664 1.00 1.62 H new ATOM 0 HD3 ARG A 30 -14.287 13.523 -8.654 1.00 1.62 H new ATOM 0 HE ARG A 30 -15.186 12.644 -11.183 1.00 2.25 H new ATOM 0 HH11 ARG A 30 -15.221 15.584 -9.296 1.00 3.11 H new ATOM 0 HH12 ARG A 30 -15.164 16.643 -10.709 1.00 3.11 H new ATOM 0 HH21 ARG A 30 -15.115 13.993 -12.994 1.00 3.02 H new ATOM 0 HH22 ARG A 30 -15.104 15.747 -12.789 1.00 3.02 H new ATOM 470 N SER A 31 -19.242 9.444 -10.453 1.00 0.02 N ATOM 471 CA SER A 31 -20.676 9.289 -10.842 1.00 0.02 C ATOM 472 C SER A 31 -21.304 8.064 -10.173 1.00 0.01 C ATOM 473 O SER A 31 -22.511 7.937 -10.110 1.00 0.02 O ATOM 474 CB SER A 31 -20.768 9.135 -12.360 1.00 0.37 C ATOM 475 OG SER A 31 -20.149 10.251 -12.985 1.00 0.88 O ATOM 0 H SER A 31 -18.563 9.125 -11.144 1.00 0.02 H new ATOM 0 HA SER A 31 -21.220 10.175 -10.514 1.00 0.02 H new ATOM 0 HB2 SER A 31 -20.280 8.212 -12.673 1.00 0.37 H new ATOM 0 HB3 SER A 31 -21.811 9.065 -12.667 1.00 0.37 H new ATOM 0 HG SER A 31 -20.205 10.154 -13.959 1.00 0.88 H new ATOM 481 N TYR A 32 -20.497 7.144 -9.707 1.00 0.01 N ATOM 482 CA TYR A 32 -21.041 5.898 -9.076 1.00 0.01 C ATOM 483 C TYR A 32 -20.857 5.930 -7.557 1.00 0.02 C ATOM 484 O TYR A 32 -21.528 5.224 -6.832 1.00 0.02 O ATOM 485 CB TYR A 32 -20.278 4.699 -9.643 1.00 0.02 C ATOM 486 CG TYR A 32 -20.728 4.437 -11.062 1.00 0.02 C ATOM 487 CD1 TYR A 32 -22.003 3.911 -11.304 1.00 0.01 C ATOM 488 CD2 TYR A 32 -19.873 4.718 -12.135 1.00 0.01 C ATOM 489 CE1 TYR A 32 -22.422 3.667 -12.617 1.00 0.02 C ATOM 490 CE2 TYR A 32 -20.291 4.474 -13.447 1.00 0.00 C ATOM 491 CZ TYR A 32 -21.566 3.949 -13.689 1.00 0.02 C ATOM 492 OH TYR A 32 -21.979 3.709 -14.983 1.00 0.02 O ATOM 0 H TYR A 32 -19.479 7.201 -9.736 1.00 0.01 H new ATOM 0 HA TYR A 32 -22.106 5.824 -9.294 1.00 0.01 H new ATOM 0 HB2 TYR A 32 -19.206 4.894 -9.621 1.00 0.02 H new ATOM 0 HB3 TYR A 32 -20.455 3.818 -9.026 1.00 0.02 H new ATOM 0 HD1 TYR A 32 -22.663 3.694 -10.477 1.00 0.01 H new ATOM 0 HD2 TYR A 32 -18.890 5.124 -11.949 1.00 0.01 H new ATOM 0 HE1 TYR A 32 -23.405 3.261 -12.803 1.00 0.02 H new ATOM 0 HE2 TYR A 32 -19.630 4.691 -14.273 1.00 0.00 H new ATOM 0 HH TYR A 32 -21.266 3.961 -15.606 1.00 0.02 H new ATOM 502 N LEU A 33 -19.933 6.708 -7.064 1.00 0.02 N ATOM 503 CA LEU A 33 -19.687 6.740 -5.590 1.00 0.02 C ATOM 504 C LEU A 33 -19.200 8.134 -5.180 1.00 0.02 C ATOM 505 O LEU A 33 -18.269 8.674 -5.743 1.00 0.02 O ATOM 506 CB LEU A 33 -18.580 5.721 -5.274 1.00 1.66 C ATOM 507 CG LEU A 33 -18.628 5.326 -3.783 1.00 2.38 C ATOM 508 CD1 LEU A 33 -19.616 4.172 -3.572 1.00 3.32 C ATOM 509 CD2 LEU A 33 -17.236 4.879 -3.328 1.00 2.80 C ATOM 0 H LEU A 33 -19.336 7.324 -7.616 1.00 0.02 H new ATOM 0 HA LEU A 33 -20.604 6.503 -5.051 1.00 0.02 H new ATOM 0 HB2 LEU A 33 -18.703 4.835 -5.896 1.00 1.66 H new ATOM 0 HB3 LEU A 33 -17.605 6.146 -5.514 1.00 1.66 H new ATOM 0 HG LEU A 33 -18.952 6.189 -3.201 1.00 2.38 H new ATOM 0 HD11 LEU A 33 -19.641 3.903 -2.516 1.00 3.32 H new ATOM 0 HD12 LEU A 33 -20.611 4.482 -3.891 1.00 3.32 H new ATOM 0 HD13 LEU A 33 -19.299 3.310 -4.159 1.00 3.32 H new ATOM 0 HD21 LEU A 33 -17.270 4.600 -2.275 1.00 2.80 H new ATOM 0 HD22 LEU A 33 -16.917 4.021 -3.921 1.00 2.80 H new ATOM 0 HD23 LEU A 33 -16.529 5.697 -3.464 1.00 2.80 H new ATOM 521 N SER A 34 -19.850 8.723 -4.209 1.00 0.02 N ATOM 522 CA SER A 34 -19.463 10.088 -3.757 1.00 0.02 C ATOM 523 C SER A 34 -18.349 10.022 -2.705 1.00 0.00 C ATOM 524 O SER A 34 -17.755 11.026 -2.362 1.00 0.01 O ATOM 525 CB SER A 34 -20.684 10.778 -3.148 1.00 0.02 C ATOM 526 OG SER A 34 -20.393 12.154 -2.943 1.00 0.02 O ATOM 0 H SER A 34 -20.638 8.312 -3.708 1.00 0.02 H new ATOM 0 HA SER A 34 -19.097 10.648 -4.617 1.00 0.02 H new ATOM 0 HB2 SER A 34 -21.544 10.671 -3.809 1.00 0.02 H new ATOM 0 HB3 SER A 34 -20.949 10.306 -2.202 1.00 0.02 H new ATOM 0 HG SER A 34 -19.493 12.245 -2.565 1.00 0.02 H new ATOM 532 N ARG A 35 -18.055 8.857 -2.187 1.00 0.02 N ATOM 533 CA ARG A 35 -16.980 8.730 -1.159 1.00 0.01 C ATOM 534 C ARG A 35 -16.751 7.241 -0.880 1.00 0.02 C ATOM 535 O ARG A 35 -17.583 6.412 -1.192 1.00 0.02 O ATOM 536 CB ARG A 35 -17.413 9.430 0.132 1.00 0.02 C ATOM 537 CG ARG A 35 -18.864 9.064 0.447 1.00 0.02 C ATOM 538 CD ARG A 35 -19.241 9.606 1.827 1.00 0.02 C ATOM 539 NE ARG A 35 -18.435 8.911 2.870 1.00 0.02 N ATOM 540 CZ ARG A 35 -18.362 9.405 4.075 1.00 0.02 C ATOM 541 NH1 ARG A 35 -18.992 10.510 4.365 1.00 0.00 N ATOM 542 NH2 ARG A 35 -17.658 8.795 4.989 1.00 0.02 N ATOM 0 H ARG A 35 -18.517 7.982 -2.434 1.00 0.02 H new ATOM 0 HA ARG A 35 -16.062 9.192 -1.521 1.00 0.01 H new ATOM 0 HB2 ARG A 35 -16.764 9.132 0.956 1.00 0.02 H new ATOM 0 HB3 ARG A 35 -17.314 10.510 0.024 1.00 0.02 H new ATOM 0 HG2 ARG A 35 -19.527 9.479 -0.312 1.00 0.02 H new ATOM 0 HG3 ARG A 35 -18.990 7.982 0.423 1.00 0.02 H new ATOM 0 HD2 ARG A 35 -19.061 10.680 1.869 1.00 0.02 H new ATOM 0 HD3 ARG A 35 -20.304 9.453 2.012 1.00 0.02 H new ATOM 0 HE ARG A 35 -17.940 8.049 2.642 1.00 0.02 H new ATOM 0 HH11 ARG A 35 -19.541 10.987 3.650 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -18.936 10.897 5.307 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -17.165 7.932 4.761 1.00 0.02 H new ATOM 0 HH22 ARG A 35 -17.601 9.181 5.931 1.00 0.02 H new ATOM 556 N CYS A 36 -15.640 6.889 -0.283 1.00 0.02 N ATOM 557 CA CYS A 36 -15.364 5.451 0.033 1.00 0.02 C ATOM 558 C CYS A 36 -14.662 5.374 1.390 1.00 0.02 C ATOM 559 O CYS A 36 -13.563 5.874 1.536 1.00 0.02 O ATOM 560 CB CYS A 36 -14.449 4.857 -1.045 1.00 0.02 C ATOM 561 SG CYS A 36 -13.742 3.295 -0.462 1.00 0.02 S ATOM 0 H CYS A 36 -14.907 7.539 0.001 1.00 0.02 H new ATOM 0 HA CYS A 36 -16.299 4.891 0.062 1.00 0.02 H new ATOM 0 HB2 CYS A 36 -15.014 4.691 -1.962 1.00 0.02 H new ATOM 0 HB3 CYS A 36 -13.651 5.560 -1.285 1.00 0.02 H new ATOM 0 HG CYS A 36 -14.665 2.595 0.128 1.00 0.02 H new ATOM 567 N ASN A 37 -15.275 4.783 2.396 1.00 0.02 N ATOM 568 CA ASN A 37 -14.616 4.724 3.743 1.00 0.01 C ATOM 569 C ASN A 37 -14.129 3.303 4.051 1.00 0.02 C ATOM 570 O ASN A 37 -13.532 3.042 5.076 1.00 0.02 O ATOM 571 CB ASN A 37 -15.613 5.162 4.820 1.00 0.02 C ATOM 572 CG ASN A 37 -14.866 5.478 6.117 1.00 0.01 C ATOM 573 OD1 ASN A 37 -14.236 4.615 6.691 1.00 0.03 O ATOM 574 ND2 ASN A 37 -14.912 6.687 6.605 1.00 0.02 N ATOM 0 H ASN A 37 -16.194 4.344 2.342 1.00 0.02 H new ATOM 0 HA ASN A 37 -13.756 5.394 3.736 1.00 0.01 H new ATOM 0 HB2 ASN A 37 -16.164 6.040 4.483 1.00 0.02 H new ATOM 0 HB3 ASN A 37 -16.345 4.373 4.994 1.00 0.02 H new ATOM 0 HD21 ASN A 37 -14.418 6.907 7.470 1.00 0.02 H new ATOM 0 HD22 ASN A 37 -15.442 7.412 6.122 1.00 0.02 H new ATOM 581 N SER A 38 -14.361 2.390 3.145 1.00 0.02 N ATOM 582 CA SER A 38 -13.900 0.985 3.332 1.00 0.02 C ATOM 583 C SER A 38 -13.768 0.346 1.950 1.00 0.01 C ATOM 584 O SER A 38 -14.430 0.743 1.012 1.00 0.02 O ATOM 585 CB SER A 38 -14.897 0.199 4.187 1.00 0.01 C ATOM 586 OG SER A 38 -14.610 -1.190 4.086 1.00 0.02 O ATOM 0 H SER A 38 -14.858 2.562 2.271 1.00 0.02 H new ATOM 0 HA SER A 38 -12.941 0.973 3.849 1.00 0.02 H new ATOM 0 HB2 SER A 38 -14.835 0.520 5.227 1.00 0.01 H new ATOM 0 HB3 SER A 38 -15.915 0.397 3.853 1.00 0.01 H new ATOM 0 HG SER A 38 -13.664 -1.344 4.291 1.00 0.02 H new ATOM 592 N ILE A 39 -12.903 -0.629 1.805 1.00 0.02 N ATOM 593 CA ILE A 39 -12.716 -1.269 0.460 1.00 0.02 C ATOM 594 C ILE A 39 -12.411 -2.760 0.619 1.00 0.02 C ATOM 595 O ILE A 39 -11.754 -3.196 1.544 1.00 0.02 O ATOM 596 CB ILE A 39 -11.521 -0.618 -0.262 1.00 0.00 C ATOM 597 CG1 ILE A 39 -11.816 0.866 -0.538 1.00 0.01 C ATOM 598 CG2 ILE A 39 -11.270 -1.349 -1.591 1.00 0.01 C ATOM 599 CD1 ILE A 39 -10.578 1.536 -1.141 1.00 0.00 C ATOM 0 H ILE A 39 -12.321 -1.008 2.552 1.00 0.02 H new ATOM 0 HA ILE A 39 -13.633 -1.134 -0.113 1.00 0.02 H new ATOM 0 HB ILE A 39 -10.636 -0.691 0.371 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -12.660 0.958 -1.222 1.00 0.01 H new ATOM 0 HG13 ILE A 39 -12.099 1.368 0.387 1.00 0.01 H new ATOM 0 HG21 ILE A 39 -10.425 -0.891 -2.104 1.00 0.01 H new ATOM 0 HG22 ILE A 39 -11.049 -2.398 -1.393 1.00 0.01 H new ATOM 0 HG23 ILE A 39 -12.158 -1.278 -2.219 1.00 0.01 H new ATOM 0 HD11 ILE A 39 -10.791 2.587 -1.335 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -9.745 1.458 -0.442 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -10.315 1.041 -2.076 1.00 0.00 H new ATOM 611 N ARG A 40 -12.846 -3.542 -0.340 1.00 0.02 N ATOM 612 CA ARG A 40 -12.554 -5.006 -0.337 1.00 0.02 C ATOM 613 C ARG A 40 -11.858 -5.347 -1.655 1.00 0.01 C ATOM 614 O ARG A 40 -12.400 -5.117 -2.717 1.00 0.02 O ATOM 615 CB ARG A 40 -13.838 -5.827 -0.218 1.00 0.01 C ATOM 616 CG ARG A 40 -13.487 -7.312 -0.116 1.00 0.02 C ATOM 617 CD ARG A 40 -14.746 -8.110 0.229 1.00 0.02 C ATOM 618 NE ARG A 40 -14.402 -9.554 0.352 1.00 0.02 N ATOM 619 CZ ARG A 40 -15.236 -10.376 0.926 1.00 0.02 C ATOM 620 NH1 ARG A 40 -16.373 -9.934 1.389 1.00 0.02 N ATOM 621 NH2 ARG A 40 -14.934 -11.641 1.035 1.00 0.02 N ATOM 0 H ARG A 40 -13.399 -3.221 -1.135 1.00 0.02 H new ATOM 0 HA ARG A 40 -11.923 -5.246 0.518 1.00 0.02 H new ATOM 0 HB2 ARG A 40 -14.402 -5.515 0.661 1.00 0.01 H new ATOM 0 HB3 ARG A 40 -14.476 -5.652 -1.084 1.00 0.01 H new ATOM 0 HG2 ARG A 40 -13.068 -7.663 -1.059 1.00 0.02 H new ATOM 0 HG3 ARG A 40 -12.725 -7.465 0.648 1.00 0.02 H new ATOM 0 HD2 ARG A 40 -15.175 -7.747 1.163 1.00 0.02 H new ATOM 0 HD3 ARG A 40 -15.501 -7.970 -0.544 1.00 0.02 H new ATOM 0 HE ARG A 40 -13.514 -9.900 -0.013 1.00 0.02 H new ATOM 0 HH11 ARG A 40 -16.609 -8.946 1.302 1.00 0.02 H new ATOM 0 HH12 ARG A 40 -17.025 -10.577 1.838 1.00 0.02 H new ATOM 0 HH21 ARG A 40 -14.046 -11.986 0.671 1.00 0.02 H new ATOM 0 HH22 ARG A 40 -15.586 -12.284 1.484 1.00 0.02 H new ATOM 635 N VAL A 41 -10.690 -5.934 -1.598 1.00 0.02 N ATOM 636 CA VAL A 41 -9.985 -6.341 -2.855 1.00 0.01 C ATOM 637 C VAL A 41 -10.093 -7.862 -2.951 1.00 0.02 C ATOM 638 O VAL A 41 -9.586 -8.580 -2.114 1.00 0.02 O ATOM 639 CB VAL A 41 -8.522 -5.901 -2.806 1.00 0.01 C ATOM 640 CG1 VAL A 41 -7.847 -6.231 -4.138 1.00 0.02 C ATOM 641 CG2 VAL A 41 -8.465 -4.388 -2.579 1.00 0.00 C ATOM 0 H VAL A 41 -10.192 -6.150 -0.735 1.00 0.02 H new ATOM 0 HA VAL A 41 -10.434 -5.870 -3.729 1.00 0.01 H new ATOM 0 HB VAL A 41 -8.009 -6.421 -1.997 1.00 0.01 H new ATOM 0 HG11 VAL A 41 -6.804 -5.918 -4.105 1.00 0.02 H new ATOM 0 HG12 VAL A 41 -7.898 -7.305 -4.315 1.00 0.02 H new ATOM 0 HG13 VAL A 41 -8.358 -5.705 -4.945 1.00 0.02 H new ATOM 0 HG21 VAL A 41 -7.425 -4.064 -2.543 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -8.975 -3.878 -3.396 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -8.954 -4.143 -1.636 1.00 0.00 H new ATOM 651 N GLU A 42 -10.778 -8.350 -3.947 1.00 0.01 N ATOM 652 CA GLU A 42 -10.960 -9.825 -4.076 1.00 0.01 C ATOM 653 C GLU A 42 -9.755 -10.460 -4.764 1.00 0.02 C ATOM 654 O GLU A 42 -9.388 -11.578 -4.465 1.00 0.01 O ATOM 655 CB GLU A 42 -12.225 -10.112 -4.885 1.00 0.99 C ATOM 656 CG GLU A 42 -12.596 -11.588 -4.742 1.00 1.86 C ATOM 657 CD GLU A 42 -13.703 -11.934 -5.739 1.00 3.10 C ATOM 658 OE1 GLU A 42 -14.696 -11.226 -5.760 1.00 3.81 O ATOM 659 OE2 GLU A 42 -13.538 -12.899 -6.466 1.00 3.67 O ATOM 0 H GLU A 42 -11.220 -7.792 -4.678 1.00 0.01 H new ATOM 0 HA GLU A 42 -11.054 -10.255 -3.079 1.00 0.01 H new ATOM 0 HB2 GLU A 42 -13.044 -9.484 -4.534 1.00 0.99 H new ATOM 0 HB3 GLU A 42 -12.062 -9.867 -5.934 1.00 0.99 H new ATOM 0 HG2 GLU A 42 -11.721 -12.213 -4.922 1.00 1.86 H new ATOM 0 HG3 GLU A 42 -12.931 -11.793 -3.725 1.00 1.86 H new ATOM 666 N GLY A 43 -9.135 -9.777 -5.684 1.00 0.01 N ATOM 667 CA GLY A 43 -7.963 -10.389 -6.368 1.00 0.02 C ATOM 668 C GLY A 43 -7.139 -9.326 -7.093 1.00 0.02 C ATOM 669 O GLY A 43 -7.655 -8.314 -7.523 1.00 0.02 O ATOM 0 H GLY A 43 -9.384 -8.836 -5.989 1.00 0.01 H new ATOM 0 HA2 GLY A 43 -7.338 -10.904 -5.638 1.00 0.02 H new ATOM 0 HA3 GLY A 43 -8.304 -11.140 -7.081 1.00 0.02 H new ATOM 673 N GLY A 44 -5.865 -9.554 -7.253 1.00 0.00 N ATOM 674 CA GLY A 44 -5.021 -8.559 -7.976 1.00 0.01 C ATOM 675 C GLY A 44 -4.563 -7.448 -7.026 1.00 0.01 C ATOM 676 O GLY A 44 -5.002 -7.354 -5.897 1.00 0.01 O ATOM 0 H GLY A 44 -5.373 -10.382 -6.917 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -4.153 -9.056 -8.408 1.00 0.01 H new ATOM 0 HA3 GLY A 44 -5.585 -8.128 -8.803 1.00 0.01 H new ATOM 680 N THR A 45 -3.703 -6.587 -7.508 1.00 0.01 N ATOM 681 CA THR A 45 -3.214 -5.433 -6.685 1.00 0.00 C ATOM 682 C THR A 45 -3.590 -4.139 -7.410 1.00 0.01 C ATOM 683 O THR A 45 -3.484 -4.056 -8.616 1.00 0.01 O ATOM 684 CB THR A 45 -1.692 -5.517 -6.544 1.00 0.73 C ATOM 685 OG1 THR A 45 -1.350 -6.679 -5.803 1.00 0.88 O ATOM 686 CG2 THR A 45 -1.177 -4.275 -5.818 1.00 1.48 C ATOM 0 H THR A 45 -3.312 -6.633 -8.449 1.00 0.01 H new ATOM 0 HA THR A 45 -3.664 -5.456 -5.693 1.00 0.00 H new ATOM 0 HB THR A 45 -1.237 -5.571 -7.533 1.00 0.73 H new ATOM 0 HG1 THR A 45 -0.376 -6.735 -5.713 1.00 0.88 H new ATOM 0 HG21 THR A 45 -0.093 -4.335 -5.718 1.00 1.48 H new ATOM 0 HG22 THR A 45 -1.440 -3.385 -6.389 1.00 1.48 H new ATOM 0 HG23 THR A 45 -1.630 -4.218 -4.828 1.00 1.48 H new ATOM 694 N TRP A 46 -4.097 -3.150 -6.705 1.00 0.02 N ATOM 695 CA TRP A 46 -4.546 -1.890 -7.392 1.00 0.01 C ATOM 696 C TRP A 46 -3.935 -0.638 -6.759 1.00 0.01 C ATOM 697 O TRP A 46 -3.601 -0.589 -5.593 1.00 0.01 O ATOM 698 CB TRP A 46 -6.069 -1.795 -7.296 1.00 0.00 C ATOM 699 CG TRP A 46 -6.686 -2.967 -7.992 1.00 0.01 C ATOM 700 CD1 TRP A 46 -6.602 -4.251 -7.574 1.00 0.01 C ATOM 701 CD2 TRP A 46 -7.475 -2.986 -9.217 1.00 0.01 C ATOM 702 NE1 TRP A 46 -7.292 -5.056 -8.463 1.00 0.00 N ATOM 703 CE2 TRP A 46 -7.848 -4.323 -9.493 1.00 0.01 C ATOM 704 CE3 TRP A 46 -7.903 -1.983 -10.107 1.00 0.01 C ATOM 705 CZ2 TRP A 46 -8.615 -4.653 -10.611 1.00 0.01 C ATOM 706 CZ3 TRP A 46 -8.676 -2.313 -11.234 1.00 0.02 C ATOM 707 CH2 TRP A 46 -9.031 -3.645 -11.485 1.00 0.01 C ATOM 0 H TRP A 46 -4.219 -3.160 -5.692 1.00 0.02 H new ATOM 0 HA TRP A 46 -4.215 -1.937 -8.429 1.00 0.01 H new ATOM 0 HB2 TRP A 46 -6.378 -1.775 -6.251 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -6.415 -0.866 -7.748 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -6.082 -4.592 -6.691 1.00 0.01 H new ATOM 0 HE1 TRP A 46 -7.379 -6.068 -8.369 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -7.636 -0.953 -9.923 1.00 0.01 H new ATOM 0 HZ2 TRP A 46 -8.886 -5.681 -10.800 1.00 0.01 H new ATOM 0 HZ3 TRP A 46 -8.998 -1.535 -11.910 1.00 0.02 H new ATOM 0 HH2 TRP A 46 -9.625 -3.892 -12.352 1.00 0.01 H new ATOM 718 N ALA A 47 -3.860 0.401 -7.551 1.00 0.01 N ATOM 719 CA ALA A 47 -3.359 1.722 -7.074 1.00 0.01 C ATOM 720 C ALA A 47 -4.585 2.630 -7.020 1.00 0.01 C ATOM 721 O ALA A 47 -5.372 2.670 -7.946 1.00 0.01 O ATOM 722 CB ALA A 47 -2.323 2.277 -8.055 1.00 0.24 C ATOM 0 H ALA A 47 -4.133 0.386 -8.534 1.00 0.01 H new ATOM 0 HA ALA A 47 -2.873 1.647 -6.101 1.00 0.01 H new ATOM 0 HB1 ALA A 47 -1.964 3.242 -7.697 1.00 0.24 H new ATOM 0 HB2 ALA A 47 -1.486 1.583 -8.131 1.00 0.24 H new ATOM 0 HB3 ALA A 47 -2.781 2.402 -9.036 1.00 0.24 H new ATOM 728 N VAL A 48 -4.743 3.374 -5.952 1.00 0.01 N ATOM 729 CA VAL A 48 -5.909 4.307 -5.831 1.00 0.02 C ATOM 730 C VAL A 48 -5.396 5.740 -5.676 1.00 0.01 C ATOM 731 O VAL A 48 -4.372 5.973 -5.063 1.00 0.01 O ATOM 732 CB VAL A 48 -6.757 3.924 -4.617 1.00 0.09 C ATOM 733 CG1 VAL A 48 -7.384 2.546 -4.846 1.00 0.48 C ATOM 734 CG2 VAL A 48 -5.871 3.881 -3.369 1.00 0.65 C ATOM 0 H VAL A 48 -4.110 3.375 -5.153 1.00 0.01 H new ATOM 0 HA VAL A 48 -6.525 4.237 -6.728 1.00 0.02 H new ATOM 0 HB VAL A 48 -7.546 4.663 -4.477 1.00 0.09 H new ATOM 0 HG11 VAL A 48 -7.988 2.273 -3.981 1.00 0.48 H new ATOM 0 HG12 VAL A 48 -8.015 2.576 -5.734 1.00 0.48 H new ATOM 0 HG13 VAL A 48 -6.596 1.806 -4.986 1.00 0.48 H new ATOM 0 HG21 VAL A 48 -6.475 3.608 -2.503 1.00 0.65 H new ATOM 0 HG22 VAL A 48 -5.082 3.142 -3.508 1.00 0.65 H new ATOM 0 HG23 VAL A 48 -5.425 4.862 -3.205 1.00 0.65 H new ATOM 744 N TYR A 49 -6.098 6.700 -6.235 1.00 0.01 N ATOM 745 CA TYR A 49 -5.654 8.131 -6.136 1.00 0.01 C ATOM 746 C TYR A 49 -6.740 8.978 -5.468 1.00 0.01 C ATOM 747 O TYR A 49 -7.925 8.731 -5.591 1.00 0.02 O ATOM 748 CB TYR A 49 -5.366 8.668 -7.538 1.00 0.01 C ATOM 749 CG TYR A 49 -4.105 8.025 -8.072 1.00 0.00 C ATOM 750 CD1 TYR A 49 -4.116 6.675 -8.444 1.00 0.01 C ATOM 751 CD2 TYR A 49 -2.929 8.777 -8.201 1.00 0.01 C ATOM 752 CE1 TYR A 49 -2.953 6.078 -8.944 1.00 0.01 C ATOM 753 CE2 TYR A 49 -1.767 8.178 -8.701 1.00 0.01 C ATOM 754 CZ TYR A 49 -1.779 6.829 -9.073 1.00 0.02 C ATOM 755 OH TYR A 49 -0.633 6.240 -9.566 1.00 0.01 O ATOM 0 H TYR A 49 -6.962 6.554 -6.757 1.00 0.01 H new ATOM 0 HA TYR A 49 -4.749 8.185 -5.530 1.00 0.01 H new ATOM 0 HB2 TYR A 49 -6.205 8.455 -8.201 1.00 0.01 H new ATOM 0 HB3 TYR A 49 -5.251 9.751 -7.508 1.00 0.01 H new ATOM 0 HD1 TYR A 49 -5.022 6.095 -8.345 1.00 0.01 H new ATOM 0 HD2 TYR A 49 -2.920 9.818 -7.915 1.00 0.01 H new ATOM 0 HE1 TYR A 49 -2.962 5.037 -9.231 1.00 0.01 H new ATOM 0 HE2 TYR A 49 -0.861 8.757 -8.800 1.00 0.01 H new ATOM 0 HH TYR A 49 0.090 6.901 -9.591 1.00 0.01 H new ATOM 765 N GLU A 50 -6.315 9.958 -4.714 1.00 0.01 N ATOM 766 CA GLU A 50 -7.263 10.827 -3.963 1.00 0.01 C ATOM 767 C GLU A 50 -8.115 11.678 -4.910 1.00 0.01 C ATOM 768 O GLU A 50 -9.255 11.972 -4.609 1.00 0.02 O ATOM 769 CB GLU A 50 -6.456 11.754 -3.053 1.00 0.02 C ATOM 770 CG GLU A 50 -7.408 12.523 -2.135 1.00 0.01 C ATOM 771 CD GLU A 50 -6.600 13.287 -1.085 1.00 0.02 C ATOM 772 OE1 GLU A 50 -6.163 14.387 -1.386 1.00 0.01 O ATOM 773 OE2 GLU A 50 -6.431 12.761 0.003 1.00 0.02 O ATOM 0 H GLU A 50 -5.331 10.195 -4.586 1.00 0.01 H new ATOM 0 HA GLU A 50 -7.932 10.191 -3.383 1.00 0.01 H new ATOM 0 HB2 GLU A 50 -5.750 11.174 -2.459 1.00 0.02 H new ATOM 0 HB3 GLU A 50 -5.870 12.451 -3.653 1.00 0.02 H new ATOM 0 HG2 GLU A 50 -8.012 13.217 -2.720 1.00 0.01 H new ATOM 0 HG3 GLU A 50 -8.097 11.833 -1.648 1.00 0.01 H new ATOM 780 N ARG A 51 -7.577 12.108 -6.032 1.00 0.02 N ATOM 781 CA ARG A 51 -8.371 12.976 -6.967 1.00 0.02 C ATOM 782 C ARG A 51 -8.390 12.334 -8.368 1.00 0.01 C ATOM 783 O ARG A 51 -7.530 11.532 -8.691 1.00 0.02 O ATOM 784 CB ARG A 51 -7.682 14.358 -7.031 1.00 0.02 C ATOM 785 CG ARG A 51 -8.336 15.327 -6.036 1.00 0.01 C ATOM 786 CD ARG A 51 -7.446 16.563 -5.870 1.00 0.02 C ATOM 787 NE ARG A 51 -8.134 17.557 -4.999 1.00 0.02 N ATOM 788 CZ ARG A 51 -7.461 18.547 -4.480 1.00 0.02 C ATOM 789 NH1 ARG A 51 -6.185 18.667 -4.724 1.00 0.02 N ATOM 790 NH2 ARG A 51 -8.065 19.417 -3.718 1.00 0.01 N ATOM 0 H ARG A 51 -6.628 11.897 -6.339 1.00 0.02 H new ATOM 0 HA ARG A 51 -9.398 13.083 -6.617 1.00 0.02 H new ATOM 0 HB2 ARG A 51 -6.621 14.254 -6.803 1.00 0.02 H new ATOM 0 HB3 ARG A 51 -7.753 14.761 -8.041 1.00 0.02 H new ATOM 0 HG2 ARG A 51 -9.323 15.621 -6.393 1.00 0.01 H new ATOM 0 HG3 ARG A 51 -8.479 14.836 -5.073 1.00 0.01 H new ATOM 0 HD2 ARG A 51 -6.490 16.279 -5.431 1.00 0.02 H new ATOM 0 HD3 ARG A 51 -7.232 17.003 -6.844 1.00 0.02 H new ATOM 0 HE ARG A 51 -9.132 17.463 -4.808 1.00 0.02 H new ATOM 0 HH11 ARG A 51 -5.714 17.987 -5.320 1.00 0.02 H new ATOM 0 HH12 ARG A 51 -5.659 19.441 -4.318 1.00 0.02 H new ATOM 0 HH21 ARG A 51 -9.063 19.323 -3.528 1.00 0.01 H new ATOM 0 HH22 ARG A 51 -7.539 20.191 -3.312 1.00 0.01 H new ATOM 804 N PRO A 52 -9.370 12.683 -9.193 1.00 0.02 N ATOM 805 CA PRO A 52 -9.483 12.107 -10.565 1.00 0.02 C ATOM 806 C PRO A 52 -8.197 12.253 -11.389 1.00 0.01 C ATOM 807 O PRO A 52 -7.312 13.024 -11.080 1.00 0.02 O ATOM 808 CB PRO A 52 -10.653 12.914 -11.181 1.00 0.02 C ATOM 809 CG PRO A 52 -11.094 13.985 -10.166 1.00 0.01 C ATOM 810 CD PRO A 52 -10.433 13.667 -8.817 1.00 0.01 C ATOM 0 HA PRO A 52 -9.653 11.031 -10.549 1.00 0.02 H new ATOM 0 HB2 PRO A 52 -10.340 13.382 -12.114 1.00 0.02 H new ATOM 0 HB3 PRO A 52 -11.486 12.252 -11.420 1.00 0.02 H new ATOM 0 HG2 PRO A 52 -10.801 14.977 -10.509 1.00 0.01 H new ATOM 0 HG3 PRO A 52 -12.179 13.990 -10.066 1.00 0.01 H new ATOM 0 HD2 PRO A 52 -10.013 14.559 -8.352 1.00 0.01 H new ATOM 0 HD3 PRO A 52 -11.144 13.243 -8.108 1.00 0.01 H new ATOM 818 N ASN A 53 -8.140 11.515 -12.464 1.00 0.02 N ATOM 819 CA ASN A 53 -6.973 11.575 -13.388 1.00 0.02 C ATOM 820 C ASN A 53 -5.698 11.102 -12.693 1.00 0.01 C ATOM 821 O ASN A 53 -4.617 11.605 -12.928 1.00 0.01 O ATOM 822 CB ASN A 53 -6.798 13.015 -13.883 1.00 0.01 C ATOM 823 CG ASN A 53 -5.934 13.025 -15.148 1.00 0.02 C ATOM 824 OD1 ASN A 53 -4.839 13.552 -15.145 1.00 0.02 O ATOM 825 ND2 ASN A 53 -6.384 12.459 -16.234 1.00 0.01 N ATOM 0 H ASN A 53 -8.869 10.860 -12.746 1.00 0.02 H new ATOM 0 HA ASN A 53 -7.159 10.913 -14.233 1.00 0.02 H new ATOM 0 HB2 ASN A 53 -7.771 13.459 -14.092 1.00 0.01 H new ATOM 0 HB3 ASN A 53 -6.331 13.622 -13.107 1.00 0.01 H new ATOM 0 HD21 ASN A 53 -5.817 12.459 -17.082 1.00 0.01 H new ATOM 0 HD22 ASN A 53 -7.303 12.017 -16.235 1.00 0.01 H new ATOM 832 N PHE A 54 -5.828 10.112 -11.852 1.00 0.02 N ATOM 833 CA PHE A 54 -4.648 9.554 -11.140 1.00 0.01 C ATOM 834 C PHE A 54 -3.763 10.676 -10.594 1.00 0.01 C ATOM 835 O PHE A 54 -2.570 10.715 -10.820 1.00 0.02 O ATOM 836 CB PHE A 54 -3.852 8.675 -12.108 1.00 1.78 C ATOM 837 CG PHE A 54 -4.812 7.880 -12.964 1.00 2.32 C ATOM 838 CD1 PHE A 54 -5.696 6.975 -12.365 1.00 2.53 C ATOM 839 CD2 PHE A 54 -4.819 8.045 -14.356 1.00 2.77 C ATOM 840 CE1 PHE A 54 -6.585 6.236 -13.153 1.00 3.03 C ATOM 841 CE2 PHE A 54 -5.708 7.306 -15.145 1.00 3.32 C ATOM 842 CZ PHE A 54 -6.591 6.401 -14.543 1.00 3.39 C ATOM 0 H PHE A 54 -6.715 9.662 -11.627 1.00 0.02 H new ATOM 0 HA PHE A 54 -4.989 8.956 -10.295 1.00 0.01 H new ATOM 0 HB2 PHE A 54 -3.212 9.294 -12.737 1.00 1.78 H new ATOM 0 HB3 PHE A 54 -3.198 8.002 -11.553 1.00 1.78 H new ATOM 0 HD1 PHE A 54 -5.692 6.847 -11.293 1.00 2.53 H new ATOM 0 HD2 PHE A 54 -4.138 8.743 -14.820 1.00 2.77 H new ATOM 0 HE1 PHE A 54 -7.266 5.538 -12.689 1.00 3.03 H new ATOM 0 HE2 PHE A 54 -5.713 7.434 -16.217 1.00 3.32 H new ATOM 0 HZ PHE A 54 -7.277 5.830 -15.151 1.00 3.39 H new ATOM 852 N SER A 55 -4.363 11.590 -9.870 1.00 0.02 N ATOM 853 CA SER A 55 -3.596 12.737 -9.280 1.00 0.02 C ATOM 854 C SER A 55 -3.841 12.803 -7.769 1.00 0.01 C ATOM 855 O SER A 55 -4.762 12.198 -7.254 1.00 0.01 O ATOM 856 CB SER A 55 -4.071 14.038 -9.929 1.00 1.90 C ATOM 857 OG SER A 55 -3.419 15.141 -9.310 1.00 2.33 O ATOM 0 H SER A 55 -5.361 11.592 -9.660 1.00 0.02 H new ATOM 0 HA SER A 55 -2.531 12.597 -9.463 1.00 0.02 H new ATOM 0 HB2 SER A 55 -3.853 14.025 -10.997 1.00 1.90 H new ATOM 0 HB3 SER A 55 -5.152 14.135 -9.825 1.00 1.90 H new ATOM 0 HG SER A 55 -3.721 15.975 -9.726 1.00 2.33 H new ATOM 863 N GLY A 56 -3.014 13.518 -7.051 1.00 0.02 N ATOM 864 CA GLY A 56 -3.186 13.612 -5.570 1.00 0.02 C ATOM 865 C GLY A 56 -2.441 12.458 -4.886 1.00 0.02 C ATOM 866 O GLY A 56 -1.563 11.849 -5.465 1.00 0.00 O ATOM 0 H GLY A 56 -2.224 14.043 -7.428 1.00 0.02 H new ATOM 0 HA2 GLY A 56 -2.804 14.567 -5.210 1.00 0.02 H new ATOM 0 HA3 GLY A 56 -4.245 13.575 -5.315 1.00 0.02 H new ATOM 870 N HIS A 57 -2.771 12.160 -3.658 1.00 0.02 N ATOM 871 CA HIS A 57 -2.065 11.058 -2.937 1.00 0.02 C ATOM 872 C HIS A 57 -2.341 9.715 -3.619 1.00 0.01 C ATOM 873 O HIS A 57 -3.449 9.444 -4.038 1.00 0.01 O ATOM 874 CB HIS A 57 -2.559 11.005 -1.490 1.00 0.00 C ATOM 875 CG HIS A 57 -2.622 12.400 -0.933 1.00 0.01 C ATOM 876 ND1 HIS A 57 -3.528 13.342 -1.394 1.00 0.01 N ATOM 877 CD2 HIS A 57 -1.897 13.029 0.050 1.00 0.01 C ATOM 878 CE1 HIS A 57 -3.328 14.474 -0.695 1.00 0.02 C ATOM 879 NE2 HIS A 57 -2.345 14.337 0.198 1.00 0.01 N ATOM 0 H HIS A 57 -3.499 12.632 -3.122 1.00 0.02 H new ATOM 0 HA HIS A 57 -0.992 11.250 -2.957 1.00 0.02 H new ATOM 0 HB2 HIS A 57 -3.544 10.540 -1.447 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -1.890 10.391 -0.888 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -1.100 12.576 0.621 1.00 0.01 H new ATOM 0 HE1 HIS A 57 -3.894 15.383 -0.839 1.00 0.02 H new ATOM 0 HE2 HIS A 57 -1.997 15.041 0.849 1.00 0.01 H new ATOM 887 N MET A 58 -1.336 8.869 -3.724 1.00 0.02 N ATOM 888 CA MET A 58 -1.517 7.527 -4.372 1.00 0.02 C ATOM 889 C MET A 58 -1.184 6.418 -3.362 1.00 0.01 C ATOM 890 O MET A 58 -0.217 6.502 -2.633 1.00 0.01 O ATOM 891 CB MET A 58 -0.575 7.419 -5.576 1.00 2.61 C ATOM 892 CG MET A 58 0.887 7.553 -5.119 1.00 3.46 C ATOM 893 SD MET A 58 1.515 5.930 -4.620 1.00 4.50 S ATOM 894 CE MET A 58 2.213 5.449 -6.219 1.00 5.01 C ATOM 0 H MET A 58 -0.392 9.054 -3.385 1.00 0.02 H new ATOM 0 HA MET A 58 -2.550 7.417 -4.701 1.00 0.02 H new ATOM 0 HB2 MET A 58 -0.721 6.462 -6.077 1.00 2.61 H new ATOM 0 HB3 MET A 58 -0.810 8.198 -6.302 1.00 2.61 H new ATOM 0 HG2 MET A 58 1.496 7.958 -5.927 1.00 3.46 H new ATOM 0 HG3 MET A 58 0.956 8.253 -4.287 1.00 3.46 H new ATOM 0 HE1 MET A 58 2.661 4.459 -6.137 1.00 5.01 H new ATOM 0 HE2 MET A 58 1.423 5.429 -6.970 1.00 5.01 H new ATOM 0 HE3 MET A 58 2.976 6.169 -6.515 1.00 5.01 H new ATOM 904 N TYR A 59 -1.985 5.381 -3.316 1.00 0.02 N ATOM 905 CA TYR A 59 -1.737 4.253 -2.358 1.00 0.01 C ATOM 906 C TYR A 59 -1.905 2.908 -3.078 1.00 0.01 C ATOM 907 O TYR A 59 -2.807 2.717 -3.869 1.00 0.02 O ATOM 908 CB TYR A 59 -2.743 4.324 -1.209 1.00 0.01 C ATOM 909 CG TYR A 59 -2.439 5.519 -0.337 1.00 0.01 C ATOM 910 CD1 TYR A 59 -1.521 5.401 0.713 1.00 0.01 C ATOM 911 CD2 TYR A 59 -3.076 6.743 -0.575 1.00 0.01 C ATOM 912 CE1 TYR A 59 -1.240 6.505 1.525 1.00 0.02 C ATOM 913 CE2 TYR A 59 -2.795 7.849 0.237 1.00 0.01 C ATOM 914 CZ TYR A 59 -1.876 7.730 1.288 1.00 0.01 C ATOM 915 OH TYR A 59 -1.601 8.819 2.090 1.00 0.01 O ATOM 0 H TYR A 59 -2.809 5.265 -3.906 1.00 0.02 H new ATOM 0 HA TYR A 59 -0.722 4.338 -1.971 1.00 0.01 H new ATOM 0 HB2 TYR A 59 -3.756 4.399 -1.604 1.00 0.01 H new ATOM 0 HB3 TYR A 59 -2.699 3.410 -0.617 1.00 0.01 H new ATOM 0 HD1 TYR A 59 -1.029 4.457 0.896 1.00 0.01 H new ATOM 0 HD2 TYR A 59 -3.784 6.834 -1.385 1.00 0.01 H new ATOM 0 HE1 TYR A 59 -0.532 6.413 2.335 1.00 0.02 H new ATOM 0 HE2 TYR A 59 -3.286 8.793 0.053 1.00 0.01 H new ATOM 0 HH TYR A 59 -2.127 9.589 1.788 1.00 0.01 H new ATOM 925 N ILE A 60 -1.031 1.973 -2.791 1.00 0.02 N ATOM 926 CA ILE A 60 -1.105 0.619 -3.426 1.00 0.01 C ATOM 927 C ILE A 60 -1.867 -0.330 -2.493 1.00 0.01 C ATOM 928 O ILE A 60 -1.597 -0.386 -1.309 1.00 0.01 O ATOM 929 CB ILE A 60 0.313 0.087 -3.643 1.00 0.45 C ATOM 930 CG1 ILE A 60 1.178 1.166 -4.308 1.00 1.35 C ATOM 931 CG2 ILE A 60 0.264 -1.154 -4.537 1.00 1.21 C ATOM 932 CD1 ILE A 60 0.470 1.718 -5.550 1.00 1.72 C ATOM 0 H ILE A 60 -0.259 2.093 -2.135 1.00 0.02 H new ATOM 0 HA ILE A 60 -1.621 0.686 -4.384 1.00 0.01 H new ATOM 0 HB ILE A 60 0.748 -0.177 -2.679 1.00 0.45 H new ATOM 0 HG12 ILE A 60 1.372 1.973 -3.602 1.00 1.35 H new ATOM 0 HG13 ILE A 60 2.145 0.747 -4.587 1.00 1.35 H new ATOM 0 HG21 ILE A 60 1.275 -1.532 -4.691 1.00 1.21 H new ATOM 0 HG22 ILE A 60 -0.342 -1.923 -4.059 1.00 1.21 H new ATOM 0 HG23 ILE A 60 -0.176 -0.892 -5.499 1.00 1.21 H new ATOM 0 HD11 ILE A 60 1.093 2.483 -6.014 1.00 1.72 H new ATOM 0 HD12 ILE A 60 0.299 0.909 -6.261 1.00 1.72 H new ATOM 0 HD13 ILE A 60 -0.486 2.155 -5.260 1.00 1.72 H new ATOM 944 N LEU A 61 -2.832 -1.060 -3.011 1.00 0.01 N ATOM 945 CA LEU A 61 -3.636 -1.994 -2.145 1.00 0.01 C ATOM 946 C LEU A 61 -3.502 -3.459 -2.643 1.00 0.01 C ATOM 947 O LEU A 61 -4.040 -3.798 -3.679 1.00 0.00 O ATOM 948 CB LEU A 61 -5.126 -1.580 -2.228 1.00 0.01 C ATOM 949 CG LEU A 61 -5.493 -0.585 -1.107 1.00 0.02 C ATOM 950 CD1 LEU A 61 -6.935 -0.109 -1.324 1.00 0.01 C ATOM 951 CD2 LEU A 61 -5.377 -1.263 0.280 1.00 0.01 C ATOM 0 H LEU A 61 -3.099 -1.050 -3.995 1.00 0.01 H new ATOM 0 HA LEU A 61 -3.267 -1.934 -1.121 1.00 0.01 H new ATOM 0 HB2 LEU A 61 -5.327 -1.128 -3.199 1.00 0.01 H new ATOM 0 HB3 LEU A 61 -5.757 -2.466 -2.152 1.00 0.01 H new ATOM 0 HG LEU A 61 -4.806 0.261 -1.138 1.00 0.02 H new ATOM 0 HD11 LEU A 61 -7.208 0.595 -0.538 1.00 0.01 H new ATOM 0 HD12 LEU A 61 -7.014 0.381 -2.294 1.00 0.01 H new ATOM 0 HD13 LEU A 61 -7.609 -0.965 -1.294 1.00 0.01 H new ATOM 0 HD21 LEU A 61 -5.639 -0.546 1.058 1.00 0.01 H new ATOM 0 HD22 LEU A 61 -6.056 -2.114 0.327 1.00 0.01 H new ATOM 0 HD23 LEU A 61 -4.354 -1.606 0.433 1.00 0.01 H new ATOM 963 N PRO A 62 -2.843 -4.348 -1.910 1.00 0.02 N ATOM 964 CA PRO A 62 -2.764 -5.769 -2.346 1.00 0.01 C ATOM 965 C PRO A 62 -4.092 -6.482 -2.039 1.00 0.00 C ATOM 966 O PRO A 62 -4.941 -5.946 -1.354 1.00 0.02 O ATOM 967 CB PRO A 62 -1.610 -6.316 -1.492 1.00 1.47 C ATOM 968 CG PRO A 62 -1.384 -5.338 -0.323 1.00 1.29 C ATOM 969 CD PRO A 62 -2.129 -4.024 -0.637 1.00 0.82 C ATOM 0 HA PRO A 62 -2.596 -5.907 -3.414 1.00 0.01 H new ATOM 0 HB2 PRO A 62 -1.851 -7.311 -1.117 1.00 1.47 H new ATOM 0 HB3 PRO A 62 -0.704 -6.412 -2.090 1.00 1.47 H new ATOM 0 HG2 PRO A 62 -1.751 -5.769 0.608 1.00 1.29 H new ATOM 0 HG3 PRO A 62 -0.319 -5.148 -0.188 1.00 1.29 H new ATOM 0 HD2 PRO A 62 -2.823 -3.752 0.158 1.00 0.82 H new ATOM 0 HD3 PRO A 62 -1.441 -3.188 -0.760 1.00 0.82 H new ATOM 977 N GLN A 63 -4.288 -7.672 -2.537 1.00 0.02 N ATOM 978 CA GLN A 63 -5.568 -8.387 -2.264 1.00 0.00 C ATOM 979 C GLN A 63 -5.842 -8.431 -0.755 1.00 0.00 C ATOM 980 O GLN A 63 -4.940 -8.618 0.036 1.00 0.02 O ATOM 981 CB GLN A 63 -5.466 -9.817 -2.800 1.00 1.27 C ATOM 982 CG GLN A 63 -4.289 -10.531 -2.132 1.00 1.67 C ATOM 983 CD GLN A 63 -4.056 -11.881 -2.813 1.00 2.43 C ATOM 984 OE1 GLN A 63 -2.975 -12.430 -2.745 1.00 4.25 O ATOM 985 NE2 GLN A 63 -5.034 -12.443 -3.470 1.00 3.04 N ATOM 0 H GLN A 63 -3.621 -8.179 -3.119 1.00 0.02 H new ATOM 0 HA GLN A 63 -6.384 -7.858 -2.756 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -6.392 -10.357 -2.603 1.00 1.27 H new ATOM 0 HB3 GLN A 63 -5.330 -9.802 -3.881 1.00 1.27 H new ATOM 0 HG2 GLN A 63 -3.391 -9.917 -2.202 1.00 1.67 H new ATOM 0 HG3 GLN A 63 -4.494 -10.677 -1.071 1.00 1.67 H new ATOM 0 HE21 GLN A 63 -5.942 -11.981 -3.527 1.00 3.04 H new ATOM 0 HE22 GLN A 63 -4.890 -13.344 -3.927 1.00 3.04 H new ATOM 994 N GLY A 64 -7.076 -8.268 -0.344 1.00 0.02 N ATOM 995 CA GLY A 64 -7.375 -8.313 1.119 1.00 0.01 C ATOM 996 C GLY A 64 -8.662 -7.538 1.431 1.00 0.02 C ATOM 997 O GLY A 64 -9.328 -7.029 0.551 1.00 0.02 O ATOM 0 H GLY A 64 -7.880 -8.108 -0.951 1.00 0.02 H new ATOM 0 HA2 GLY A 64 -7.480 -9.349 1.443 1.00 0.01 H new ATOM 0 HA3 GLY A 64 -6.543 -7.887 1.679 1.00 0.01 H new ATOM 1001 N GLU A 65 -9.013 -7.456 2.690 1.00 0.02 N ATOM 1002 CA GLU A 65 -10.259 -6.726 3.103 1.00 0.02 C ATOM 1003 C GLU A 65 -9.896 -5.585 4.059 1.00 0.02 C ATOM 1004 O GLU A 65 -9.172 -5.766 5.018 1.00 0.02 O ATOM 1005 CB GLU A 65 -11.190 -7.704 3.821 1.00 0.77 C ATOM 1006 CG GLU A 65 -12.585 -7.086 3.945 1.00 0.49 C ATOM 1007 CD GLU A 65 -13.404 -7.868 4.974 1.00 0.67 C ATOM 1008 OE1 GLU A 65 -13.113 -7.743 6.152 1.00 0.96 O ATOM 1009 OE2 GLU A 65 -14.309 -8.578 4.567 1.00 0.71 O ATOM 0 H GLU A 65 -8.486 -7.867 3.460 1.00 0.02 H new ATOM 0 HA GLU A 65 -10.752 -6.316 2.222 1.00 0.02 H new ATOM 0 HB2 GLU A 65 -11.244 -8.642 3.269 1.00 0.77 H new ATOM 0 HB3 GLU A 65 -10.796 -7.938 4.810 1.00 0.77 H new ATOM 0 HG2 GLU A 65 -12.505 -6.042 4.247 1.00 0.49 H new ATOM 0 HG3 GLU A 65 -13.088 -7.101 2.978 1.00 0.49 H new ATOM 1016 N TYR A 66 -10.419 -4.408 3.800 1.00 0.02 N ATOM 1017 CA TYR A 66 -10.152 -3.226 4.675 1.00 0.02 C ATOM 1018 C TYR A 66 -11.507 -2.707 5.196 1.00 0.02 C ATOM 1019 O TYR A 66 -12.206 -2.018 4.476 1.00 0.02 O ATOM 1020 CB TYR A 66 -9.479 -2.145 3.827 1.00 0.01 C ATOM 1021 CG TYR A 66 -8.155 -2.670 3.327 1.00 0.02 C ATOM 1022 CD1 TYR A 66 -8.105 -3.454 2.168 1.00 0.02 C ATOM 1023 CD2 TYR A 66 -6.979 -2.382 4.028 1.00 0.01 C ATOM 1024 CE1 TYR A 66 -6.877 -3.948 1.709 1.00 0.02 C ATOM 1025 CE2 TYR A 66 -5.752 -2.877 3.571 1.00 0.02 C ATOM 1026 CZ TYR A 66 -5.701 -3.659 2.412 1.00 0.02 C ATOM 1027 OH TYR A 66 -4.491 -4.146 1.961 1.00 0.01 O ATOM 0 H TYR A 66 -11.029 -4.217 3.005 1.00 0.02 H new ATOM 0 HA TYR A 66 -9.507 -3.490 5.513 1.00 0.02 H new ATOM 0 HB2 TYR A 66 -10.118 -1.873 2.987 1.00 0.01 H new ATOM 0 HB3 TYR A 66 -9.327 -1.242 4.418 1.00 0.01 H new ATOM 0 HD1 TYR A 66 -9.013 -3.678 1.628 1.00 0.02 H new ATOM 0 HD2 TYR A 66 -7.018 -1.777 4.922 1.00 0.01 H new ATOM 0 HE1 TYR A 66 -6.837 -4.551 0.814 1.00 0.02 H new ATOM 0 HE2 TYR A 66 -4.845 -2.655 4.113 1.00 0.02 H new ATOM 0 HH TYR A 66 -3.775 -3.852 2.563 1.00 0.01 H new ATOM 1037 N PRO A 67 -11.906 -3.046 6.414 1.00 0.01 N ATOM 1038 CA PRO A 67 -13.225 -2.588 6.936 1.00 0.02 C ATOM 1039 C PRO A 67 -13.276 -1.085 7.247 1.00 0.02 C ATOM 1040 O PRO A 67 -14.317 -0.569 7.600 1.00 0.02 O ATOM 1041 CB PRO A 67 -13.401 -3.437 8.213 1.00 0.02 C ATOM 1042 CG PRO A 67 -12.063 -4.141 8.517 1.00 0.02 C ATOM 1043 CD PRO A 67 -11.099 -3.897 7.339 1.00 0.01 C ATOM 0 HA PRO A 67 -14.021 -2.719 6.203 1.00 0.02 H new ATOM 0 HB2 PRO A 67 -13.696 -2.805 9.051 1.00 0.02 H new ATOM 0 HB3 PRO A 67 -14.193 -4.172 8.073 1.00 0.02 H new ATOM 0 HG2 PRO A 67 -11.635 -3.756 9.442 1.00 0.02 H new ATOM 0 HG3 PRO A 67 -12.222 -5.210 8.660 1.00 0.02 H new ATOM 0 HD2 PRO A 67 -10.188 -3.392 7.661 1.00 0.01 H new ATOM 0 HD3 PRO A 67 -10.795 -4.831 6.866 1.00 0.01 H new ATOM 1051 N GLU A 68 -12.190 -0.371 7.110 1.00 0.01 N ATOM 1052 CA GLU A 68 -12.231 1.095 7.392 1.00 0.01 C ATOM 1053 C GLU A 68 -11.070 1.753 6.646 1.00 0.03 C ATOM 1054 O GLU A 68 -10.089 1.126 6.309 1.00 0.02 O ATOM 1055 CB GLU A 68 -12.073 1.350 8.896 1.00 0.69 C ATOM 1056 CG GLU A 68 -13.322 0.876 9.643 1.00 1.09 C ATOM 1057 CD GLU A 68 -13.320 1.452 11.061 1.00 1.35 C ATOM 1058 OE1 GLU A 68 -12.905 2.588 11.217 1.00 1.55 O ATOM 1059 OE2 GLU A 68 -13.734 0.748 11.968 1.00 2.02 O ATOM 0 H GLU A 68 -11.283 -0.735 6.818 1.00 0.01 H new ATOM 0 HA GLU A 68 -13.186 1.508 7.066 1.00 0.01 H new ATOM 0 HB2 GLU A 68 -11.194 0.826 9.271 1.00 0.69 H new ATOM 0 HB3 GLU A 68 -11.912 2.413 9.078 1.00 0.69 H new ATOM 0 HG2 GLU A 68 -14.219 1.194 9.111 1.00 1.09 H new ATOM 0 HG3 GLU A 68 -13.344 -0.213 9.682 1.00 1.09 H new ATOM 1066 N TYR A 69 -11.209 3.015 6.344 1.00 0.02 N ATOM 1067 CA TYR A 69 -10.155 3.717 5.560 1.00 0.02 C ATOM 1068 C TYR A 69 -8.800 3.703 6.282 1.00 0.01 C ATOM 1069 O TYR A 69 -7.762 3.554 5.667 1.00 0.01 O ATOM 1070 CB TYR A 69 -10.612 5.151 5.248 1.00 0.02 C ATOM 1071 CG TYR A 69 -10.353 6.065 6.426 1.00 0.02 C ATOM 1072 CD1 TYR A 69 -11.329 6.226 7.417 1.00 0.02 C ATOM 1073 CD2 TYR A 69 -9.139 6.756 6.519 1.00 0.02 C ATOM 1074 CE1 TYR A 69 -11.092 7.079 8.501 1.00 0.02 C ATOM 1075 CE2 TYR A 69 -8.901 7.608 7.604 1.00 0.02 C ATOM 1076 CZ TYR A 69 -9.877 7.769 8.595 1.00 0.02 C ATOM 1077 OH TYR A 69 -9.643 8.610 9.664 1.00 0.01 O ATOM 0 H TYR A 69 -12.009 3.591 6.607 1.00 0.02 H new ATOM 0 HA TYR A 69 -10.010 3.182 4.622 1.00 0.02 H new ATOM 0 HB2 TYR A 69 -10.084 5.523 4.370 1.00 0.02 H new ATOM 0 HB3 TYR A 69 -11.675 5.154 5.006 1.00 0.02 H new ATOM 0 HD1 TYR A 69 -12.265 5.692 7.345 1.00 0.02 H new ATOM 0 HD2 TYR A 69 -8.387 6.632 5.754 1.00 0.02 H new ATOM 0 HE1 TYR A 69 -11.846 7.205 9.264 1.00 0.02 H new ATOM 0 HE2 TYR A 69 -7.965 8.141 7.677 1.00 0.02 H new ATOM 0 HH TYR A 69 -8.752 9.009 9.577 1.00 0.01 H new ATOM 1087 N GLN A 70 -8.799 3.863 7.579 1.00 0.01 N ATOM 1088 CA GLN A 70 -7.514 3.859 8.338 1.00 0.02 C ATOM 1089 C GLN A 70 -6.784 2.525 8.145 1.00 0.01 C ATOM 1090 O GLN A 70 -5.579 2.435 8.285 1.00 0.02 O ATOM 1091 CB GLN A 70 -7.810 4.054 9.826 1.00 0.01 C ATOM 1092 CG GLN A 70 -8.435 5.432 10.047 1.00 0.01 C ATOM 1093 CD GLN A 70 -8.453 5.751 11.543 1.00 0.02 C ATOM 1094 OE1 GLN A 70 -9.469 5.605 12.195 1.00 0.01 O ATOM 1095 NE2 GLN A 70 -7.365 6.186 12.119 1.00 0.02 N ATOM 0 H GLN A 70 -9.636 3.997 8.147 1.00 0.01 H new ATOM 0 HA GLN A 70 -6.883 4.667 7.969 1.00 0.02 H new ATOM 0 HB2 GLN A 70 -8.487 3.276 10.178 1.00 0.01 H new ATOM 0 HB3 GLN A 70 -6.891 3.963 10.405 1.00 0.01 H new ATOM 0 HG2 GLN A 70 -7.867 6.191 9.509 1.00 0.01 H new ATOM 0 HG3 GLN A 70 -9.449 5.451 9.648 1.00 0.01 H new ATOM 0 HE21 GLN A 70 -6.513 6.309 11.572 1.00 0.02 H new ATOM 0 HE22 GLN A 70 -7.367 6.403 13.116 1.00 0.02 H new ATOM 1104 N ARG A 71 -7.513 1.488 7.821 1.00 0.01 N ATOM 1105 CA ARG A 71 -6.872 0.157 7.614 1.00 0.02 C ATOM 1106 C ARG A 71 -6.055 0.199 6.322 1.00 0.01 C ATOM 1107 O ARG A 71 -5.178 -0.610 6.090 1.00 0.02 O ATOM 1108 CB ARG A 71 -7.947 -0.933 7.511 1.00 0.34 C ATOM 1109 CG ARG A 71 -7.307 -2.328 7.659 1.00 0.72 C ATOM 1110 CD ARG A 71 -7.198 -2.710 9.141 1.00 1.04 C ATOM 1111 NE ARG A 71 -8.551 -2.689 9.763 1.00 1.67 N ATOM 1112 CZ ARG A 71 -8.749 -3.272 10.915 1.00 2.47 C ATOM 1113 NH1 ARG A 71 -7.761 -3.876 11.519 1.00 2.54 N ATOM 1114 NH2 ARG A 71 -9.933 -3.256 11.461 1.00 3.42 N ATOM 0 H ARG A 71 -8.525 1.507 7.691 1.00 0.01 H new ATOM 0 HA ARG A 71 -6.221 -0.072 8.458 1.00 0.02 H new ATOM 0 HB2 ARG A 71 -8.700 -0.786 8.286 1.00 0.34 H new ATOM 0 HB3 ARG A 71 -8.459 -0.860 6.551 1.00 0.34 H new ATOM 0 HG2 ARG A 71 -7.906 -3.068 7.129 1.00 0.72 H new ATOM 0 HG3 ARG A 71 -6.318 -2.332 7.202 1.00 0.72 H new ATOM 0 HD2 ARG A 71 -6.757 -3.702 9.240 1.00 1.04 H new ATOM 0 HD3 ARG A 71 -6.538 -2.014 9.659 1.00 1.04 H new ATOM 0 HE ARG A 71 -9.323 -2.219 9.290 1.00 1.67 H new ATOM 0 HH11 ARG A 71 -6.835 -3.892 11.091 1.00 2.54 H new ATOM 0 HH12 ARG A 71 -7.915 -4.331 12.419 1.00 2.54 H new ATOM 0 HH21 ARG A 71 -10.706 -2.788 10.988 1.00 3.42 H new ATOM 0 HH22 ARG A 71 -10.086 -3.712 12.361 1.00 3.42 H new ATOM 1128 N TRP A 72 -6.351 1.155 5.483 1.00 0.02 N ATOM 1129 CA TRP A 72 -5.628 1.308 4.186 1.00 0.01 C ATOM 1130 C TRP A 72 -4.726 2.545 4.304 1.00 0.01 C ATOM 1131 O TRP A 72 -4.145 3.012 3.344 1.00 0.02 O ATOM 1132 CB TRP A 72 -6.698 1.465 3.078 1.00 0.02 C ATOM 1133 CG TRP A 72 -6.232 2.339 1.954 1.00 0.01 C ATOM 1134 CD1 TRP A 72 -5.188 2.076 1.136 1.00 0.01 C ATOM 1135 CD2 TRP A 72 -6.794 3.606 1.506 1.00 0.02 C ATOM 1136 NE1 TRP A 72 -5.074 3.103 0.217 1.00 0.02 N ATOM 1137 CE2 TRP A 72 -6.040 4.071 0.406 1.00 0.02 C ATOM 1138 CE3 TRP A 72 -7.876 4.391 1.946 1.00 0.01 C ATOM 1139 CZ2 TRP A 72 -6.345 5.271 -0.238 1.00 0.02 C ATOM 1140 CZ3 TRP A 72 -8.186 5.600 1.303 1.00 0.02 C ATOM 1141 CH2 TRP A 72 -7.422 6.038 0.213 1.00 0.02 C ATOM 0 H TRP A 72 -7.079 1.851 5.645 1.00 0.02 H new ATOM 0 HA TRP A 72 -5.001 0.451 3.941 1.00 0.01 H new ATOM 0 HB2 TRP A 72 -6.958 0.482 2.686 1.00 0.02 H new ATOM 0 HB3 TRP A 72 -7.606 1.886 3.510 1.00 0.02 H new ATOM 0 HD1 TRP A 72 -4.549 1.207 1.191 1.00 0.01 H new ATOM 0 HE1 TRP A 72 -4.362 3.141 -0.512 1.00 0.02 H new ATOM 0 HE3 TRP A 72 -8.472 4.061 2.784 1.00 0.01 H new ATOM 0 HZ2 TRP A 72 -5.753 5.604 -1.078 1.00 0.02 H new ATOM 0 HZ3 TRP A 72 -9.017 6.195 1.650 1.00 0.02 H new ATOM 0 HH2 TRP A 72 -7.666 6.968 -0.278 1.00 0.02 H new ATOM 1152 N MET A 73 -4.608 3.065 5.495 1.00 0.02 N ATOM 1153 CA MET A 73 -3.754 4.263 5.729 1.00 0.02 C ATOM 1154 C MET A 73 -4.268 5.459 4.913 1.00 0.01 C ATOM 1155 O MET A 73 -3.542 6.388 4.623 1.00 0.02 O ATOM 1156 CB MET A 73 -2.308 3.953 5.327 1.00 0.02 C ATOM 1157 CG MET A 73 -1.923 2.561 5.832 1.00 0.01 C ATOM 1158 SD MET A 73 -0.125 2.371 5.757 1.00 0.01 S ATOM 1159 CE MET A 73 0.242 3.026 7.404 1.00 0.01 C ATOM 0 H MET A 73 -5.074 2.705 6.328 1.00 0.02 H new ATOM 0 HA MET A 73 -3.794 4.517 6.788 1.00 0.02 H new ATOM 0 HB2 MET A 73 -2.203 4.000 4.243 1.00 0.02 H new ATOM 0 HB3 MET A 73 -1.635 4.702 5.745 1.00 0.02 H new ATOM 0 HG2 MET A 73 -2.272 2.424 6.856 1.00 0.01 H new ATOM 0 HG3 MET A 73 -2.406 1.795 5.225 1.00 0.01 H new ATOM 0 HE1 MET A 73 1.318 3.002 7.574 1.00 0.01 H new ATOM 0 HE2 MET A 73 -0.113 4.054 7.474 1.00 0.01 H new ATOM 0 HE3 MET A 73 -0.258 2.417 8.157 1.00 0.01 H new ATOM 1169 N GLY A 74 -5.521 5.431 4.543 1.00 0.02 N ATOM 1170 CA GLY A 74 -6.091 6.554 3.749 1.00 0.02 C ATOM 1171 C GLY A 74 -5.962 7.853 4.539 1.00 0.01 C ATOM 1172 O GLY A 74 -6.130 7.875 5.742 1.00 0.01 O ATOM 0 H GLY A 74 -6.174 4.677 4.758 1.00 0.02 H new ATOM 0 HA2 GLY A 74 -5.568 6.642 2.796 1.00 0.02 H new ATOM 0 HA3 GLY A 74 -7.139 6.357 3.521 1.00 0.02 H new ATOM 1176 N LEU A 75 -5.711 8.948 3.871 1.00 0.02 N ATOM 1177 CA LEU A 75 -5.628 10.248 4.594 1.00 0.02 C ATOM 1178 C LEU A 75 -7.064 10.723 4.859 1.00 0.01 C ATOM 1179 O LEU A 75 -7.349 11.361 5.852 1.00 0.02 O ATOM 1180 CB LEU A 75 -4.870 11.268 3.736 1.00 0.55 C ATOM 1181 CG LEU A 75 -4.943 12.664 4.371 1.00 0.58 C ATOM 1182 CD1 LEU A 75 -4.454 12.610 5.824 1.00 0.98 C ATOM 1183 CD2 LEU A 75 -4.059 13.625 3.569 1.00 0.42 C ATOM 0 H LEU A 75 -5.561 8.998 2.863 1.00 0.02 H new ATOM 0 HA LEU A 75 -5.092 10.138 5.536 1.00 0.02 H new ATOM 0 HB2 LEU A 75 -3.829 10.963 3.633 1.00 0.55 H new ATOM 0 HB3 LEU A 75 -5.295 11.296 2.733 1.00 0.55 H new ATOM 0 HG LEU A 75 -5.976 13.012 4.360 1.00 0.58 H new ATOM 0 HD11 LEU A 75 -4.510 13.606 6.264 1.00 0.98 H new ATOM 0 HD12 LEU A 75 -5.082 11.925 6.394 1.00 0.98 H new ATOM 0 HD13 LEU A 75 -3.422 12.261 5.848 1.00 0.98 H new ATOM 0 HD21 LEU A 75 -4.105 14.619 4.014 1.00 0.42 H new ATOM 0 HD22 LEU A 75 -3.029 13.269 3.583 1.00 0.42 H new ATOM 0 HD23 LEU A 75 -4.413 13.671 2.539 1.00 0.42 H new ATOM 1195 N ASN A 76 -7.973 10.378 3.980 1.00 0.01 N ATOM 1196 CA ASN A 76 -9.403 10.747 4.141 1.00 0.02 C ATOM 1197 C ASN A 76 -10.203 9.735 3.312 1.00 0.02 C ATOM 1198 O ASN A 76 -9.652 8.762 2.837 1.00 0.02 O ATOM 1199 CB ASN A 76 -9.643 12.167 3.622 1.00 0.02 C ATOM 1200 CG ASN A 76 -9.069 13.178 4.616 1.00 0.02 C ATOM 1201 OD1 ASN A 76 -9.403 13.157 5.783 1.00 0.01 O ATOM 1202 ND2 ASN A 76 -8.211 14.068 4.199 1.00 0.02 N ATOM 0 H ASN A 76 -7.771 9.841 3.136 1.00 0.01 H new ATOM 0 HA ASN A 76 -9.704 10.727 5.188 1.00 0.02 H new ATOM 0 HB2 ASN A 76 -9.173 12.293 2.647 1.00 0.02 H new ATOM 0 HB3 ASN A 76 -10.711 12.340 3.486 1.00 0.02 H new ATOM 0 HD21 ASN A 76 -7.821 14.746 4.853 1.00 0.02 H new ATOM 0 HD22 ASN A 76 -7.930 14.086 3.219 1.00 0.02 H new ATOM 1209 N ASP A 77 -11.485 9.927 3.137 1.00 0.01 N ATOM 1210 CA ASP A 77 -12.285 8.938 2.343 1.00 0.01 C ATOM 1211 C ASP A 77 -12.470 9.426 0.904 1.00 0.01 C ATOM 1212 O ASP A 77 -13.454 9.105 0.266 1.00 0.01 O ATOM 1213 CB ASP A 77 -13.661 8.774 2.989 1.00 0.01 C ATOM 1214 CG ASP A 77 -13.492 8.553 4.492 1.00 0.01 C ATOM 1215 OD1 ASP A 77 -12.668 7.732 4.862 1.00 0.01 O ATOM 1216 OD2 ASP A 77 -14.188 9.209 5.250 1.00 0.02 O ATOM 0 H ASP A 77 -12.012 10.719 3.505 1.00 0.01 H new ATOM 0 HA ASP A 77 -11.753 7.987 2.330 1.00 0.01 H new ATOM 0 HB2 ASP A 77 -14.269 9.660 2.806 1.00 0.01 H new ATOM 0 HB3 ASP A 77 -14.186 7.930 2.543 1.00 0.01 H new ATOM 1221 N ARG A 78 -11.553 10.207 0.383 1.00 0.01 N ATOM 1222 CA ARG A 78 -11.713 10.718 -1.017 1.00 0.01 C ATOM 1223 C ARG A 78 -10.934 9.849 -2.011 1.00 0.02 C ATOM 1224 O ARG A 78 -9.731 9.700 -1.917 1.00 0.02 O ATOM 1225 CB ARG A 78 -11.211 12.163 -1.085 1.00 0.43 C ATOM 1226 CG ARG A 78 -12.122 13.059 -0.244 1.00 0.80 C ATOM 1227 CD ARG A 78 -11.763 14.525 -0.488 1.00 1.00 C ATOM 1228 NE ARG A 78 -10.282 14.674 -0.526 1.00 1.30 N ATOM 1229 CZ ARG A 78 -9.749 15.761 -1.013 1.00 2.30 C ATOM 1230 NH1 ARG A 78 -10.514 16.716 -1.465 1.00 2.72 N ATOM 1231 NH2 ARG A 78 -8.452 15.890 -1.048 1.00 3.20 N ATOM 0 H ARG A 78 -10.706 10.511 0.863 1.00 0.01 H new ATOM 0 HA ARG A 78 -12.768 10.678 -1.287 1.00 0.01 H new ATOM 0 HB2 ARG A 78 -10.186 12.221 -0.718 1.00 0.43 H new ATOM 0 HB3 ARG A 78 -11.199 12.507 -2.119 1.00 0.43 H new ATOM 0 HG2 ARG A 78 -13.165 12.881 -0.504 1.00 0.80 H new ATOM 0 HG3 ARG A 78 -12.012 12.818 0.813 1.00 0.80 H new ATOM 0 HD2 ARG A 78 -12.198 14.865 -1.428 1.00 1.00 H new ATOM 0 HD3 ARG A 78 -12.182 15.149 0.301 1.00 1.00 H new ATOM 0 HE ARG A 78 -9.685 13.927 -0.172 1.00 1.30 H new ATOM 0 HH11 ARG A 78 -11.528 16.613 -1.438 1.00 2.72 H new ATOM 0 HH12 ARG A 78 -10.098 17.566 -1.846 1.00 2.72 H new ATOM 0 HH21 ARG A 78 -7.855 15.142 -0.695 1.00 3.20 H new ATOM 0 HH22 ARG A 78 -8.034 16.739 -1.428 1.00 3.20 H new ATOM 1245 N LEU A 79 -11.615 9.298 -2.982 1.00 0.01 N ATOM 1246 CA LEU A 79 -10.944 8.457 -4.021 1.00 0.01 C ATOM 1247 C LEU A 79 -11.631 8.736 -5.359 1.00 0.01 C ATOM 1248 O LEU A 79 -12.828 8.568 -5.489 1.00 0.02 O ATOM 1249 CB LEU A 79 -11.095 6.977 -3.668 1.00 1.04 C ATOM 1250 CG LEU A 79 -10.168 6.622 -2.493 1.00 1.85 C ATOM 1251 CD1 LEU A 79 -10.429 5.172 -2.075 1.00 2.40 C ATOM 1252 CD2 LEU A 79 -8.687 6.793 -2.900 1.00 2.61 C ATOM 0 H LEU A 79 -12.623 9.396 -3.102 1.00 0.01 H new ATOM 0 HA LEU A 79 -9.882 8.695 -4.075 1.00 0.01 H new ATOM 0 HB2 LEU A 79 -12.130 6.761 -3.404 1.00 1.04 H new ATOM 0 HB3 LEU A 79 -10.852 6.361 -4.534 1.00 1.04 H new ATOM 0 HG LEU A 79 -10.373 7.292 -1.658 1.00 1.85 H new ATOM 0 HD11 LEU A 79 -9.776 4.910 -1.242 1.00 2.40 H new ATOM 0 HD12 LEU A 79 -11.469 5.063 -1.769 1.00 2.40 H new ATOM 0 HD13 LEU A 79 -10.227 4.509 -2.916 1.00 2.40 H new ATOM 0 HD21 LEU A 79 -8.046 6.537 -2.056 1.00 2.61 H new ATOM 0 HD22 LEU A 79 -8.462 6.135 -3.739 1.00 2.61 H new ATOM 0 HD23 LEU A 79 -8.507 7.828 -3.192 1.00 2.61 H new ATOM 1264 N GLY A 80 -10.898 9.206 -6.344 1.00 0.02 N ATOM 1265 CA GLY A 80 -11.526 9.554 -7.663 1.00 0.02 C ATOM 1266 C GLY A 80 -11.133 8.584 -8.785 1.00 0.02 C ATOM 1267 O GLY A 80 -11.799 8.528 -9.797 1.00 0.01 O ATOM 0 H GLY A 80 -9.892 9.364 -6.292 1.00 0.02 H new ATOM 0 HA2 GLY A 80 -12.611 9.556 -7.554 1.00 0.02 H new ATOM 0 HA3 GLY A 80 -11.232 10.565 -7.944 1.00 0.02 H new ATOM 1271 N SER A 81 -10.080 7.818 -8.648 1.00 0.01 N ATOM 1272 CA SER A 81 -9.707 6.885 -9.761 1.00 0.01 C ATOM 1273 C SER A 81 -8.864 5.724 -9.238 1.00 0.02 C ATOM 1274 O SER A 81 -8.232 5.811 -8.203 1.00 0.01 O ATOM 1275 CB SER A 81 -8.905 7.648 -10.811 1.00 0.01 C ATOM 1276 OG SER A 81 -9.589 8.843 -11.144 1.00 0.01 O ATOM 0 H SER A 81 -9.471 7.795 -7.830 1.00 0.01 H new ATOM 0 HA SER A 81 -10.622 6.485 -10.199 1.00 0.01 H new ATOM 0 HB2 SER A 81 -7.911 7.879 -10.429 1.00 0.01 H new ATOM 0 HB3 SER A 81 -8.770 7.033 -11.700 1.00 0.01 H new ATOM 0 HG SER A 81 -9.744 8.872 -12.111 1.00 0.01 H new ATOM 1282 N CYS A 82 -8.847 4.633 -9.964 1.00 0.02 N ATOM 1283 CA CYS A 82 -8.037 3.449 -9.534 1.00 0.01 C ATOM 1284 C CYS A 82 -7.493 2.713 -10.764 1.00 0.01 C ATOM 1285 O CYS A 82 -8.100 2.707 -11.819 1.00 0.01 O ATOM 1286 CB CYS A 82 -8.909 2.499 -8.715 1.00 0.01 C ATOM 1287 SG CYS A 82 -9.785 3.431 -7.435 1.00 0.02 S ATOM 0 H CYS A 82 -9.360 4.510 -10.837 1.00 0.02 H new ATOM 0 HA CYS A 82 -7.202 3.793 -8.924 1.00 0.01 H new ATOM 0 HB2 CYS A 82 -9.624 1.994 -9.365 1.00 0.01 H new ATOM 0 HB3 CYS A 82 -8.292 1.726 -8.258 1.00 0.01 H new ATOM 0 HG CYS A 82 -9.171 4.557 -7.221 1.00 0.02 H new ATOM 1293 N ARG A 83 -6.351 2.088 -10.631 1.00 0.01 N ATOM 1294 CA ARG A 83 -5.751 1.338 -11.781 1.00 0.01 C ATOM 1295 C ARG A 83 -5.173 0.015 -11.272 1.00 0.01 C ATOM 1296 O ARG A 83 -4.634 -0.066 -10.186 1.00 0.01 O ATOM 1297 CB ARG A 83 -4.602 2.149 -12.381 1.00 0.01 C ATOM 1298 CG ARG A 83 -5.147 3.457 -12.958 1.00 0.01 C ATOM 1299 CD ARG A 83 -4.061 4.132 -13.796 1.00 0.01 C ATOM 1300 NE ARG A 83 -3.860 3.365 -15.056 1.00 0.01 N ATOM 1301 CZ ARG A 83 -3.209 3.902 -16.051 1.00 0.01 C ATOM 1302 NH1 ARG A 83 -2.732 5.111 -15.940 1.00 0.01 N ATOM 1303 NH2 ARG A 83 -3.033 3.230 -17.156 1.00 0.01 N ATOM 0 H ARG A 83 -5.804 2.064 -9.771 1.00 0.01 H new ATOM 0 HA ARG A 83 -6.523 1.161 -12.530 1.00 0.01 H new ATOM 0 HB2 ARG A 83 -3.854 2.360 -11.617 1.00 0.01 H new ATOM 0 HB3 ARG A 83 -4.106 1.573 -13.162 1.00 0.01 H new ATOM 0 HG2 ARG A 83 -6.025 3.259 -13.572 1.00 0.01 H new ATOM 0 HG3 ARG A 83 -5.464 4.119 -12.152 1.00 0.01 H new ATOM 0 HD2 ARG A 83 -4.348 5.159 -14.024 1.00 0.01 H new ATOM 0 HD3 ARG A 83 -3.129 4.179 -13.233 1.00 0.01 H new ATOM 0 HE ARG A 83 -4.232 2.419 -15.141 1.00 0.01 H new ATOM 0 HH11 ARG A 83 -2.868 5.636 -15.076 1.00 0.01 H new ATOM 0 HH12 ARG A 83 -2.223 5.532 -16.717 1.00 0.01 H new ATOM 0 HH21 ARG A 83 -3.405 2.284 -17.242 1.00 0.01 H new ATOM 0 HH22 ARG A 83 -2.524 3.651 -17.933 1.00 0.01 H new ATOM 1317 N ALA A 84 -5.286 -1.028 -12.051 1.00 0.01 N ATOM 1318 CA ALA A 84 -4.749 -2.348 -11.616 1.00 0.01 C ATOM 1319 C ALA A 84 -3.233 -2.386 -11.832 1.00 0.01 C ATOM 1320 O ALA A 84 -2.730 -2.048 -12.885 1.00 0.00 O ATOM 1321 CB ALA A 84 -5.404 -3.460 -12.437 1.00 0.43 C ATOM 0 H ALA A 84 -5.728 -1.022 -12.970 1.00 0.01 H new ATOM 0 HA ALA A 84 -4.968 -2.494 -10.558 1.00 0.01 H new ATOM 0 HB1 ALA A 84 -5.012 -4.426 -12.119 1.00 0.43 H new ATOM 0 HB2 ALA A 84 -6.483 -3.438 -12.284 1.00 0.43 H new ATOM 0 HB3 ALA A 84 -5.185 -3.309 -13.494 1.00 0.43 H new ATOM 1327 N VAL A 85 -2.511 -2.819 -10.834 1.00 0.01 N ATOM 1328 CA VAL A 85 -1.027 -2.919 -10.951 1.00 0.01 C ATOM 1329 C VAL A 85 -0.668 -4.313 -11.469 1.00 0.01 C ATOM 1330 O VAL A 85 -1.054 -5.307 -10.888 1.00 0.01 O ATOM 1331 CB VAL A 85 -0.388 -2.702 -9.575 1.00 0.98 C ATOM 1332 CG1 VAL A 85 1.130 -2.576 -9.725 1.00 1.25 C ATOM 1333 CG2 VAL A 85 -0.945 -1.419 -8.954 1.00 1.12 C ATOM 0 H VAL A 85 -2.890 -3.111 -9.933 1.00 0.01 H new ATOM 0 HA VAL A 85 -0.656 -2.160 -11.640 1.00 0.01 H new ATOM 0 HB VAL A 85 -0.618 -3.551 -8.932 1.00 0.98 H new ATOM 0 HG11 VAL A 85 1.581 -2.422 -8.745 1.00 1.25 H new ATOM 0 HG12 VAL A 85 1.529 -3.488 -10.168 1.00 1.25 H new ATOM 0 HG13 VAL A 85 1.363 -1.728 -10.369 1.00 1.25 H new ATOM 0 HG21 VAL A 85 -0.492 -1.262 -7.975 1.00 1.12 H new ATOM 0 HG22 VAL A 85 -0.714 -0.572 -9.600 1.00 1.12 H new ATOM 0 HG23 VAL A 85 -2.026 -1.508 -8.844 1.00 1.12 H new ATOM 1343 N HIS A 86 0.066 -4.410 -12.545 1.00 0.01 N ATOM 1344 CA HIS A 86 0.439 -5.756 -13.072 1.00 0.01 C ATOM 1345 C HIS A 86 1.798 -6.156 -12.499 1.00 0.01 C ATOM 1346 O HIS A 86 2.741 -5.390 -12.509 1.00 0.00 O ATOM 1347 CB HIS A 86 0.537 -5.697 -14.598 1.00 0.21 C ATOM 1348 CG HIS A 86 -0.834 -5.488 -15.181 1.00 0.71 C ATOM 1349 ND1 HIS A 86 -1.137 -4.400 -15.985 1.00 1.26 N ATOM 1350 CD2 HIS A 86 -1.992 -6.219 -15.087 1.00 1.20 C ATOM 1351 CE1 HIS A 86 -2.431 -4.507 -16.341 1.00 1.77 C ATOM 1352 NE2 HIS A 86 -2.999 -5.598 -15.820 1.00 1.71 N ATOM 0 H HIS A 86 0.423 -3.619 -13.081 1.00 0.01 H new ATOM 0 HA HIS A 86 -0.317 -6.485 -12.783 1.00 0.01 H new ATOM 0 HB2 HIS A 86 1.200 -4.886 -14.899 1.00 0.21 H new ATOM 0 HB3 HIS A 86 0.970 -6.621 -14.981 1.00 0.21 H new ATOM 0 HD2 HIS A 86 -2.105 -7.137 -14.529 1.00 1.20 H new ATOM 0 HE1 HIS A 86 -2.947 -3.797 -16.971 1.00 1.77 H new ATOM 0 HE2 HIS A 86 -3.964 -5.909 -15.935 1.00 1.71 H new ATOM 1360 N LEU A 87 1.903 -7.359 -11.996 1.00 0.01 N ATOM 1361 CA LEU A 87 3.197 -7.833 -11.415 1.00 0.01 C ATOM 1362 C LEU A 87 3.938 -8.643 -12.480 1.00 0.01 C ATOM 1363 O LEU A 87 3.345 -9.430 -13.191 1.00 0.01 O ATOM 1364 CB LEU A 87 2.900 -8.729 -10.197 1.00 0.67 C ATOM 1365 CG LEU A 87 1.665 -8.215 -9.451 1.00 1.25 C ATOM 1366 CD1 LEU A 87 1.447 -9.058 -8.192 1.00 1.63 C ATOM 1367 CD2 LEU A 87 1.874 -6.754 -9.051 1.00 1.34 C ATOM 0 H LEU A 87 1.143 -8.039 -11.962 1.00 0.01 H new ATOM 0 HA LEU A 87 3.808 -6.987 -11.101 1.00 0.01 H new ATOM 0 HB2 LEU A 87 2.736 -9.756 -10.523 1.00 0.67 H new ATOM 0 HB3 LEU A 87 3.760 -8.741 -9.527 1.00 0.67 H new ATOM 0 HG LEU A 87 0.793 -8.290 -10.101 1.00 1.25 H new ATOM 0 HD11 LEU A 87 0.569 -8.695 -7.659 1.00 1.63 H new ATOM 0 HD12 LEU A 87 1.295 -10.100 -8.474 1.00 1.63 H new ATOM 0 HD13 LEU A 87 2.322 -8.980 -7.546 1.00 1.63 H new ATOM 0 HD21 LEU A 87 0.993 -6.392 -8.521 1.00 1.34 H new ATOM 0 HD22 LEU A 87 2.746 -6.676 -8.402 1.00 1.34 H new ATOM 0 HD23 LEU A 87 2.032 -6.151 -9.945 1.00 1.34 H new ATOM 1379 N SER A 88 5.236 -8.473 -12.583 1.00 0.01 N ATOM 1380 CA SER A 88 6.040 -9.241 -13.583 1.00 0.01 C ATOM 1381 C SER A 88 6.947 -10.230 -12.846 1.00 0.01 C ATOM 1382 O SER A 88 7.712 -9.829 -11.992 1.00 0.01 O ATOM 1383 CB SER A 88 6.911 -8.278 -14.393 1.00 0.81 C ATOM 1384 OG SER A 88 8.015 -7.862 -13.599 1.00 1.08 O ATOM 0 H SER A 88 5.777 -7.826 -12.009 1.00 0.01 H new ATOM 0 HA SER A 88 5.367 -9.777 -14.253 1.00 0.01 H new ATOM 0 HB2 SER A 88 7.265 -8.766 -15.301 1.00 0.81 H new ATOM 0 HB3 SER A 88 6.325 -7.413 -14.703 1.00 0.81 H new ATOM 0 HG SER A 88 8.755 -7.592 -14.183 1.00 1.08 H new ATOM 1390 N SER A 89 6.932 -11.495 -13.183 1.00 0.01 N ATOM 1391 CA SER A 89 7.865 -12.456 -12.511 1.00 0.01 C ATOM 1392 C SER A 89 8.982 -12.746 -13.512 1.00 0.01 C ATOM 1393 O SER A 89 9.221 -11.946 -14.394 1.00 0.01 O ATOM 1394 CB SER A 89 7.121 -13.748 -12.174 1.00 0.43 C ATOM 1395 OG SER A 89 6.935 -14.506 -13.362 1.00 1.26 O ATOM 0 H SER A 89 6.320 -11.904 -13.889 1.00 0.01 H new ATOM 0 HA SER A 89 8.262 -12.043 -11.584 1.00 0.01 H new ATOM 0 HB2 SER A 89 7.687 -14.327 -11.444 1.00 0.43 H new ATOM 0 HB3 SER A 89 6.157 -13.518 -11.721 1.00 0.43 H new ATOM 0 HG SER A 89 6.460 -15.336 -13.149 1.00 1.26 H new ATOM 1401 N GLY A 90 9.646 -13.876 -13.438 1.00 0.01 N ATOM 1402 CA GLY A 90 10.709 -14.181 -14.454 1.00 0.00 C ATOM 1403 C GLY A 90 11.966 -14.790 -13.827 1.00 0.00 C ATOM 1404 O GLY A 90 12.432 -15.824 -14.261 1.00 0.01 O ATOM 0 H GLY A 90 9.502 -14.594 -12.728 1.00 0.01 H new ATOM 0 HA2 GLY A 90 10.308 -14.870 -15.198 1.00 0.00 H new ATOM 0 HA3 GLY A 90 10.977 -13.265 -14.980 1.00 0.00 H new ATOM 1408 N GLY A 91 12.528 -14.183 -12.814 1.00 0.00 N ATOM 1409 CA GLY A 91 13.747 -14.789 -12.211 1.00 0.00 C ATOM 1410 C GLY A 91 14.304 -13.936 -11.067 1.00 0.00 C ATOM 1411 O GLY A 91 13.805 -13.991 -9.961 1.00 0.01 O ATOM 0 H GLY A 91 12.204 -13.315 -12.388 1.00 0.00 H new ATOM 0 HA2 GLY A 91 13.510 -15.786 -11.839 1.00 0.00 H new ATOM 0 HA3 GLY A 91 14.511 -14.909 -12.979 1.00 0.00 H new ATOM 1415 N GLN A 92 15.340 -13.164 -11.305 1.00 1.80 N ATOM 1416 CA GLN A 92 15.940 -12.328 -10.207 1.00 2.31 C ATOM 1417 C GLN A 92 15.910 -10.844 -10.584 1.00 1.91 C ATOM 1418 O GLN A 92 16.492 -10.417 -11.562 1.00 2.31 O ATOM 1419 CB GLN A 92 17.380 -12.789 -9.972 1.00 2.11 C ATOM 1420 CG GLN A 92 17.916 -12.155 -8.688 1.00 2.86 C ATOM 1421 CD GLN A 92 17.237 -12.799 -7.477 1.00 3.70 C ATOM 1422 OE1 GLN A 92 17.140 -14.006 -7.390 1.00 3.99 O ATOM 1423 NE2 GLN A 92 16.759 -12.036 -6.532 1.00 4.43 N ATOM 0 H GLN A 92 15.798 -13.075 -12.212 1.00 1.80 H new ATOM 0 HA GLN A 92 15.359 -12.453 -9.293 1.00 2.31 H new ATOM 0 HB2 GLN A 92 17.417 -13.876 -9.896 1.00 2.11 H new ATOM 0 HB3 GLN A 92 18.006 -12.507 -10.818 1.00 2.11 H new ATOM 0 HG2 GLN A 92 18.996 -12.290 -8.627 1.00 2.86 H new ATOM 0 HG3 GLN A 92 17.729 -11.081 -8.695 1.00 2.86 H new ATOM 0 HE21 GLN A 92 16.841 -11.022 -6.605 1.00 4.43 H new ATOM 0 HE22 GLN A 92 16.304 -12.454 -5.720 1.00 4.43 H new ATOM 1432 N ALA A 93 15.216 -10.063 -9.796 1.00 0.01 N ATOM 1433 CA ALA A 93 15.126 -8.604 -10.090 1.00 0.01 C ATOM 1434 C ALA A 93 16.418 -7.912 -9.636 1.00 0.01 C ATOM 1435 O ALA A 93 16.883 -8.109 -8.530 1.00 0.01 O ATOM 1436 CB ALA A 93 13.928 -8.005 -9.345 1.00 2.99 C ATOM 0 H ALA A 93 14.710 -10.372 -8.966 1.00 0.01 H new ATOM 0 HA ALA A 93 14.994 -8.454 -11.162 1.00 0.01 H new ATOM 0 HB1 ALA A 93 13.862 -6.938 -9.560 1.00 2.99 H new ATOM 0 HB2 ALA A 93 13.013 -8.498 -9.672 1.00 2.99 H new ATOM 0 HB3 ALA A 93 14.056 -8.152 -8.273 1.00 2.99 H new ATOM 1442 N LYS A 94 17.001 -7.106 -10.490 1.00 0.00 N ATOM 1443 CA LYS A 94 18.273 -6.391 -10.138 1.00 0.01 C ATOM 1444 C LYS A 94 18.117 -4.898 -10.455 1.00 0.01 C ATOM 1445 O LYS A 94 17.519 -4.532 -11.446 1.00 0.01 O ATOM 1446 CB LYS A 94 19.403 -6.990 -10.980 1.00 2.49 C ATOM 1447 CG LYS A 94 20.732 -6.327 -10.603 1.00 3.43 C ATOM 1448 CD LYS A 94 21.895 -7.164 -11.142 1.00 4.11 C ATOM 1449 CE LYS A 94 21.846 -7.188 -12.671 1.00 5.23 C ATOM 1450 NZ LYS A 94 23.159 -7.652 -13.204 1.00 6.36 N ATOM 0 H LYS A 94 16.648 -6.910 -11.426 1.00 0.00 H new ATOM 0 HA LYS A 94 18.499 -6.504 -9.078 1.00 0.01 H new ATOM 0 HB2 LYS A 94 19.462 -8.066 -10.815 1.00 2.49 H new ATOM 0 HB3 LYS A 94 19.198 -6.841 -12.040 1.00 2.49 H new ATOM 0 HG2 LYS A 94 20.776 -5.318 -11.013 1.00 3.43 H new ATOM 0 HG3 LYS A 94 20.809 -6.234 -9.520 1.00 3.43 H new ATOM 0 HD2 LYS A 94 22.844 -6.746 -10.805 1.00 4.11 H new ATOM 0 HD3 LYS A 94 21.837 -8.180 -10.750 1.00 4.11 H new ATOM 0 HE2 LYS A 94 21.050 -7.851 -13.009 1.00 5.23 H new ATOM 0 HE3 LYS A 94 21.617 -6.193 -13.054 1.00 5.23 H new ATOM 0 HZ1 LYS A 94 23.126 -7.668 -14.243 1.00 6.36 H new ATOM 0 HZ2 LYS A 94 23.909 -7.003 -12.892 1.00 6.36 H new ATOM 0 HZ3 LYS A 94 23.359 -8.609 -12.849 1.00 6.36 H new ATOM 1464 N ILE A 95 18.638 -4.033 -9.609 1.00 0.00 N ATOM 1465 CA ILE A 95 18.505 -2.555 -9.848 1.00 0.01 C ATOM 1466 C ILE A 95 19.885 -1.892 -9.790 1.00 0.01 C ATOM 1467 O ILE A 95 20.726 -2.239 -8.980 1.00 0.01 O ATOM 1468 CB ILE A 95 17.593 -1.964 -8.758 1.00 0.34 C ATOM 1469 CG1 ILE A 95 17.765 -0.439 -8.681 1.00 0.30 C ATOM 1470 CG2 ILE A 95 17.950 -2.581 -7.405 1.00 0.36 C ATOM 1471 CD1 ILE A 95 16.597 0.173 -7.904 1.00 1.09 C ATOM 0 H ILE A 95 19.149 -4.288 -8.764 1.00 0.00 H new ATOM 0 HA ILE A 95 18.074 -2.374 -10.832 1.00 0.01 H new ATOM 0 HB ILE A 95 16.557 -2.191 -9.008 1.00 0.34 H new ATOM 0 HG12 ILE A 95 18.708 -0.194 -8.192 1.00 0.30 H new ATOM 0 HG13 ILE A 95 17.807 -0.017 -9.685 1.00 0.30 H new ATOM 0 HG21 ILE A 95 17.304 -2.163 -6.633 1.00 0.36 H new ATOM 0 HG22 ILE A 95 17.810 -3.661 -7.449 1.00 0.36 H new ATOM 0 HG23 ILE A 95 18.990 -2.360 -7.167 1.00 0.36 H new ATOM 0 HD11 ILE A 95 16.722 1.255 -7.851 1.00 1.09 H new ATOM 0 HD12 ILE A 95 15.661 -0.060 -8.411 1.00 1.09 H new ATOM 0 HD13 ILE A 95 16.575 -0.239 -6.895 1.00 1.09 H new ATOM 1483 N GLN A 96 20.092 -0.893 -10.619 1.00 0.01 N ATOM 1484 CA GLN A 96 21.377 -0.125 -10.608 1.00 0.01 C ATOM 1485 C GLN A 96 21.037 1.348 -10.358 1.00 0.01 C ATOM 1486 O GLN A 96 20.142 1.888 -10.979 1.00 0.00 O ATOM 1487 CB GLN A 96 22.111 -0.284 -11.944 1.00 0.53 C ATOM 1488 CG GLN A 96 21.140 -0.068 -13.098 1.00 0.82 C ATOM 1489 CD GLN A 96 21.888 -0.193 -14.425 1.00 1.25 C ATOM 1490 OE1 GLN A 96 21.907 0.730 -15.215 1.00 1.75 O ATOM 1491 NE2 GLN A 96 22.511 -1.304 -14.707 1.00 2.05 N ATOM 0 H GLN A 96 19.414 -0.575 -11.311 1.00 0.01 H new ATOM 0 HA GLN A 96 22.035 -0.502 -9.825 1.00 0.01 H new ATOM 0 HB2 GLN A 96 22.929 0.433 -12.007 1.00 0.53 H new ATOM 0 HB3 GLN A 96 22.553 -1.278 -12.010 1.00 0.53 H new ATOM 0 HG2 GLN A 96 20.335 -0.801 -13.052 1.00 0.82 H new ATOM 0 HG3 GLN A 96 20.679 0.917 -13.020 1.00 0.82 H new ATOM 0 HE21 GLN A 96 22.496 -2.080 -14.045 1.00 2.05 H new ATOM 0 HE22 GLN A 96 23.013 -1.397 -15.590 1.00 2.05 H new ATOM 1500 N VAL A 97 21.726 2.014 -9.462 1.00 0.01 N ATOM 1501 CA VAL A 97 21.420 3.461 -9.184 1.00 0.01 C ATOM 1502 C VAL A 97 22.681 4.303 -9.389 1.00 0.01 C ATOM 1503 O VAL A 97 23.783 3.857 -9.143 1.00 0.01 O ATOM 1504 CB VAL A 97 20.941 3.608 -7.736 1.00 0.77 C ATOM 1505 CG1 VAL A 97 19.554 2.975 -7.587 1.00 1.10 C ATOM 1506 CG2 VAL A 97 21.927 2.903 -6.801 1.00 1.03 C ATOM 0 H VAL A 97 22.488 1.621 -8.909 1.00 0.01 H new ATOM 0 HA VAL A 97 20.642 3.804 -9.866 1.00 0.01 H new ATOM 0 HB VAL A 97 20.885 4.665 -7.478 1.00 0.77 H new ATOM 0 HG11 VAL A 97 19.215 3.080 -6.557 1.00 1.10 H new ATOM 0 HG12 VAL A 97 18.852 3.476 -8.253 1.00 1.10 H new ATOM 0 HG13 VAL A 97 19.607 1.917 -7.845 1.00 1.10 H new ATOM 0 HG21 VAL A 97 21.588 3.006 -5.770 1.00 1.03 H new ATOM 0 HG22 VAL A 97 21.982 1.846 -7.061 1.00 1.03 H new ATOM 0 HG23 VAL A 97 22.914 3.354 -6.906 1.00 1.03 H new ATOM 1516 N PHE A 98 22.517 5.519 -9.864 1.00 0.01 N ATOM 1517 CA PHE A 98 23.697 6.412 -10.125 1.00 0.01 C ATOM 1518 C PHE A 98 23.617 7.684 -9.274 1.00 0.01 C ATOM 1519 O PHE A 98 22.560 8.237 -9.041 1.00 0.01 O ATOM 1520 CB PHE A 98 23.715 6.796 -11.604 1.00 0.25 C ATOM 1521 CG PHE A 98 24.023 5.575 -12.438 1.00 0.36 C ATOM 1522 CD1 PHE A 98 23.004 4.666 -12.743 1.00 0.58 C ATOM 1523 CD2 PHE A 98 25.324 5.353 -12.907 1.00 0.42 C ATOM 1524 CE1 PHE A 98 23.285 3.535 -13.519 1.00 0.73 C ATOM 1525 CE2 PHE A 98 25.604 4.222 -13.682 1.00 0.56 C ATOM 1526 CZ PHE A 98 24.585 3.312 -13.988 1.00 0.69 C ATOM 0 H PHE A 98 21.611 5.933 -10.083 1.00 0.01 H new ATOM 0 HA PHE A 98 24.608 5.875 -9.861 1.00 0.01 H new ATOM 0 HB2 PHE A 98 22.751 7.214 -11.894 1.00 0.25 H new ATOM 0 HB3 PHE A 98 24.463 7.569 -11.781 1.00 0.25 H new ATOM 0 HD1 PHE A 98 22.001 4.837 -12.380 1.00 0.58 H new ATOM 0 HD2 PHE A 98 26.111 6.054 -12.671 1.00 0.42 H new ATOM 0 HE1 PHE A 98 22.498 2.834 -13.756 1.00 0.73 H new ATOM 0 HE2 PHE A 98 26.607 4.051 -14.044 1.00 0.56 H new ATOM 0 HZ PHE A 98 24.802 2.439 -14.585 1.00 0.69 H new ATOM 1536 N GLU A 99 24.746 8.119 -8.783 1.00 0.01 N ATOM 1537 CA GLU A 99 24.784 9.327 -7.908 1.00 0.01 C ATOM 1538 C GLU A 99 24.413 10.603 -8.681 1.00 0.01 C ATOM 1539 O GLU A 99 23.877 11.530 -8.107 1.00 0.01 O ATOM 1540 CB GLU A 99 26.191 9.482 -7.323 1.00 0.01 C ATOM 1541 CG GLU A 99 26.279 10.782 -6.516 1.00 0.01 C ATOM 1542 CD GLU A 99 27.509 10.738 -5.607 1.00 0.01 C ATOM 1543 OE1 GLU A 99 28.608 10.695 -6.132 1.00 0.02 O ATOM 1544 OE2 GLU A 99 27.330 10.748 -4.400 1.00 0.01 O ATOM 0 H GLU A 99 25.653 7.685 -8.952 1.00 0.01 H new ATOM 0 HA GLU A 99 24.051 9.190 -7.113 1.00 0.01 H new ATOM 0 HB2 GLU A 99 26.425 8.630 -6.684 1.00 0.01 H new ATOM 0 HB3 GLU A 99 26.929 9.491 -8.125 1.00 0.01 H new ATOM 0 HG2 GLU A 99 26.342 11.637 -7.190 1.00 0.01 H new ATOM 0 HG3 GLU A 99 25.377 10.913 -5.918 1.00 0.01 H new ATOM 1551 N LYS A 100 24.699 10.673 -9.965 1.00 0.01 N ATOM 1552 CA LYS A 100 24.363 11.912 -10.751 1.00 0.01 C ATOM 1553 C LYS A 100 23.329 11.596 -11.836 1.00 0.01 C ATOM 1554 O LYS A 100 23.050 10.452 -12.140 1.00 0.01 O ATOM 1555 CB LYS A 100 25.630 12.466 -11.405 1.00 0.94 C ATOM 1556 CG LYS A 100 26.684 12.745 -10.330 1.00 1.63 C ATOM 1557 CD LYS A 100 28.049 12.946 -10.993 1.00 2.19 C ATOM 1558 CE LYS A 100 29.108 13.200 -9.919 1.00 2.84 C ATOM 1559 NZ LYS A 100 29.015 12.146 -8.871 1.00 3.18 N ATOM 0 H LYS A 100 25.148 9.930 -10.501 1.00 0.01 H new ATOM 0 HA LYS A 100 23.945 12.653 -10.070 1.00 0.01 H new ATOM 0 HB2 LYS A 100 26.018 11.752 -12.132 1.00 0.94 H new ATOM 0 HB3 LYS A 100 25.400 13.382 -11.949 1.00 0.94 H new ATOM 0 HG2 LYS A 100 26.411 13.633 -9.759 1.00 1.63 H new ATOM 0 HG3 LYS A 100 26.729 11.915 -9.625 1.00 1.63 H new ATOM 0 HD2 LYS A 100 28.314 12.065 -11.578 1.00 2.19 H new ATOM 0 HD3 LYS A 100 28.008 13.788 -11.684 1.00 2.19 H new ATOM 0 HE2 LYS A 100 30.102 13.197 -10.366 1.00 2.84 H new ATOM 0 HE3 LYS A 100 28.961 14.184 -9.474 1.00 2.84 H new ATOM 0 HZ1 LYS A 100 28.712 12.575 -7.973 1.00 3.18 H new ATOM 0 HZ2 LYS A 100 28.323 11.427 -9.162 1.00 3.18 H new ATOM 0 HZ3 LYS A 100 29.946 11.699 -8.744 1.00 3.18 H new ATOM 1573 N GLY A 101 22.765 12.622 -12.417 1.00 0.01 N ATOM 1574 CA GLY A 101 21.731 12.432 -13.478 1.00 0.01 C ATOM 1575 C GLY A 101 22.343 11.808 -14.734 1.00 0.00 C ATOM 1576 O GLY A 101 23.543 11.793 -14.925 1.00 0.01 O ATOM 0 H GLY A 101 22.979 13.595 -12.199 1.00 0.01 H new ATOM 0 HA2 GLY A 101 20.932 11.793 -13.102 1.00 0.01 H new ATOM 0 HA3 GLY A 101 21.280 13.392 -13.727 1.00 0.01 H new ATOM 1580 N ASP A 102 21.499 11.308 -15.599 1.00 0.01 N ATOM 1581 CA ASP A 102 21.973 10.693 -16.870 1.00 0.00 C ATOM 1582 C ASP A 102 22.957 9.558 -16.592 1.00 0.00 C ATOM 1583 O ASP A 102 23.918 9.359 -17.309 1.00 0.01 O ATOM 1584 CB ASP A 102 22.652 11.760 -17.730 1.00 0.01 C ATOM 1585 CG ASP A 102 21.785 13.021 -17.758 1.00 0.01 C ATOM 1586 OD1 ASP A 102 21.846 13.781 -16.807 1.00 0.01 O ATOM 1587 OD2 ASP A 102 21.075 13.204 -18.733 1.00 0.01 O ATOM 0 H ASP A 102 20.487 11.301 -15.474 1.00 0.01 H new ATOM 0 HA ASP A 102 21.113 10.282 -17.399 1.00 0.00 H new ATOM 0 HB2 ASP A 102 23.638 11.993 -17.328 1.00 0.01 H new ATOM 0 HB3 ASP A 102 22.801 11.386 -18.743 1.00 0.01 H new ATOM 1592 N PHE A 103 22.695 8.790 -15.569 1.00 0.01 N ATOM 1593 CA PHE A 103 23.571 7.632 -15.241 1.00 0.01 C ATOM 1594 C PHE A 103 25.035 8.061 -15.145 1.00 0.00 C ATOM 1595 O PHE A 103 25.890 7.510 -15.809 1.00 0.01 O ATOM 1596 CB PHE A 103 23.427 6.572 -16.333 1.00 0.01 C ATOM 1597 CG PHE A 103 21.962 6.365 -16.646 1.00 0.00 C ATOM 1598 CD1 PHE A 103 21.147 5.663 -15.748 1.00 0.01 C ATOM 1599 CD2 PHE A 103 21.418 6.874 -17.832 1.00 0.01 C ATOM 1600 CE1 PHE A 103 19.791 5.471 -16.037 1.00 0.01 C ATOM 1601 CE2 PHE A 103 20.063 6.681 -18.120 1.00 0.01 C ATOM 1602 CZ PHE A 103 19.248 5.980 -17.222 1.00 0.01 C ATOM 0 H PHE A 103 21.902 8.918 -14.940 1.00 0.01 H new ATOM 0 HA PHE A 103 23.266 7.228 -14.276 1.00 0.01 H new ATOM 0 HB2 PHE A 103 23.961 6.885 -17.230 1.00 0.01 H new ATOM 0 HB3 PHE A 103 23.876 5.634 -16.006 1.00 0.01 H new ATOM 0 HD1 PHE A 103 21.565 5.270 -14.833 1.00 0.01 H new ATOM 0 HD2 PHE A 103 22.045 7.416 -18.525 1.00 0.01 H new ATOM 0 HE1 PHE A 103 19.163 4.930 -15.345 1.00 0.01 H new ATOM 0 HE2 PHE A 103 19.645 7.073 -19.035 1.00 0.01 H new ATOM 0 HZ PHE A 103 18.201 5.832 -17.444 1.00 0.01 H new ATOM 1612 N ASN A 104 25.335 9.022 -14.306 1.00 0.00 N ATOM 1613 CA ASN A 104 26.756 9.473 -14.136 1.00 0.01 C ATOM 1614 C ASN A 104 27.081 9.476 -12.641 1.00 0.01 C ATOM 1615 O ASN A 104 26.199 9.389 -11.810 1.00 0.01 O ATOM 1616 CB ASN A 104 26.922 10.888 -14.701 1.00 1.68 C ATOM 1617 CG ASN A 104 27.026 10.823 -16.227 1.00 2.31 C ATOM 1618 OD1 ASN A 104 28.111 10.769 -16.772 1.00 3.15 O ATOM 1619 ND2 ASN A 104 25.936 10.828 -16.945 1.00 2.38 N ATOM 0 H ASN A 104 24.656 9.517 -13.728 1.00 0.00 H new ATOM 0 HA ASN A 104 27.429 8.801 -14.668 1.00 0.01 H new ATOM 0 HB2 ASN A 104 26.074 11.508 -14.410 1.00 1.68 H new ATOM 0 HB3 ASN A 104 27.815 11.354 -14.285 1.00 1.68 H new ATOM 0 HD21 ASN A 104 25.995 10.787 -17.962 1.00 2.38 H new ATOM 0 HD22 ASN A 104 25.025 10.873 -16.489 1.00 2.38 H new ATOM 1626 N GLY A 105 28.336 9.562 -12.282 1.00 0.01 N ATOM 1627 CA GLY A 105 28.702 9.562 -10.832 1.00 0.01 C ATOM 1628 C GLY A 105 29.004 8.132 -10.389 1.00 0.01 C ATOM 1629 O GLY A 105 29.197 7.251 -11.202 1.00 0.01 O ATOM 0 H GLY A 105 29.122 9.632 -12.928 1.00 0.01 H new ATOM 0 HA2 GLY A 105 29.571 10.198 -10.664 1.00 0.01 H new ATOM 0 HA3 GLY A 105 27.886 9.974 -10.239 1.00 0.01 H new ATOM 1633 N GLN A 106 29.028 7.883 -9.109 1.00 0.01 N ATOM 1634 CA GLN A 106 29.298 6.502 -8.627 1.00 0.01 C ATOM 1635 C GLN A 106 28.033 5.664 -8.832 1.00 0.01 C ATOM 1636 O GLN A 106 26.926 6.149 -8.709 1.00 0.01 O ATOM 1637 CB GLN A 106 29.666 6.549 -7.136 1.00 0.01 C ATOM 1638 CG GLN A 106 30.435 5.283 -6.741 1.00 0.01 C ATOM 1639 CD GLN A 106 29.519 4.063 -6.869 1.00 0.01 C ATOM 1640 OE1 GLN A 106 29.968 2.986 -7.210 1.00 0.01 O ATOM 1641 NE2 GLN A 106 28.247 4.186 -6.606 1.00 0.01 N ATOM 0 H GLN A 106 28.872 8.576 -8.377 1.00 0.01 H new ATOM 0 HA GLN A 106 30.126 6.058 -9.179 1.00 0.01 H new ATOM 0 HB2 GLN A 106 30.273 7.431 -6.931 1.00 0.01 H new ATOM 0 HB3 GLN A 106 28.762 6.637 -6.533 1.00 0.01 H new ATOM 0 HG2 GLN A 106 31.309 5.162 -7.381 1.00 0.01 H new ATOM 0 HG3 GLN A 106 30.799 5.371 -5.717 1.00 0.01 H new ATOM 0 HE21 GLN A 106 27.870 5.090 -6.320 1.00 0.01 H new ATOM 0 HE22 GLN A 106 27.629 3.378 -6.686 1.00 0.01 H new ATOM 1650 N MET A 107 28.203 4.408 -9.166 1.00 0.01 N ATOM 1651 CA MET A 107 27.028 3.510 -9.404 1.00 0.01 C ATOM 1652 C MET A 107 27.018 2.378 -8.373 1.00 0.01 C ATOM 1653 O MET A 107 28.042 1.831 -8.018 1.00 0.01 O ATOM 1654 CB MET A 107 27.133 2.905 -10.808 1.00 0.00 C ATOM 1655 CG MET A 107 25.926 1.999 -11.082 1.00 0.01 C ATOM 1656 SD MET A 107 26.225 0.361 -10.371 1.00 0.01 S ATOM 1657 CE MET A 107 27.058 -0.360 -11.808 1.00 0.01 C ATOM 0 H MET A 107 29.113 3.962 -9.285 1.00 0.01 H new ATOM 0 HA MET A 107 26.110 4.090 -9.313 1.00 0.01 H new ATOM 0 HB2 MET A 107 27.178 3.700 -11.553 1.00 0.00 H new ATOM 0 HB3 MET A 107 28.056 2.332 -10.898 1.00 0.00 H new ATOM 0 HG2 MET A 107 25.025 2.435 -10.650 1.00 0.01 H new ATOM 0 HG3 MET A 107 25.757 1.916 -12.156 1.00 0.01 H new ATOM 0 HE1 MET A 107 27.337 -1.390 -11.588 1.00 0.01 H new ATOM 0 HE2 MET A 107 26.385 -0.342 -12.666 1.00 0.01 H new ATOM 0 HE3 MET A 107 27.954 0.217 -12.037 1.00 0.01 H new ATOM 1667 N TYR A 108 25.847 2.012 -7.915 1.00 0.01 N ATOM 1668 CA TYR A 108 25.709 0.898 -6.925 1.00 0.00 C ATOM 1669 C TYR A 108 24.615 -0.055 -7.426 1.00 0.01 C ATOM 1670 O TYR A 108 23.579 0.367 -7.906 1.00 0.01 O ATOM 1671 CB TYR A 108 25.308 1.461 -5.558 1.00 0.54 C ATOM 1672 CG TYR A 108 26.520 2.062 -4.876 1.00 0.60 C ATOM 1673 CD1 TYR A 108 27.583 1.236 -4.488 1.00 1.24 C ATOM 1674 CD2 TYR A 108 26.579 3.440 -4.628 1.00 0.93 C ATOM 1675 CE1 TYR A 108 28.702 1.787 -3.853 1.00 1.76 C ATOM 1676 CE2 TYR A 108 27.699 3.991 -3.994 1.00 1.51 C ATOM 1677 CZ TYR A 108 28.762 3.164 -3.606 1.00 1.82 C ATOM 1678 OH TYR A 108 29.866 3.707 -2.982 1.00 2.48 O ATOM 0 H TYR A 108 24.965 2.445 -8.190 1.00 0.01 H new ATOM 0 HA TYR A 108 26.657 0.370 -6.822 1.00 0.00 H new ATOM 0 HB2 TYR A 108 24.534 2.219 -5.679 1.00 0.54 H new ATOM 0 HB3 TYR A 108 24.885 0.670 -4.938 1.00 0.54 H new ATOM 0 HD1 TYR A 108 27.539 0.174 -4.679 1.00 1.24 H new ATOM 0 HD2 TYR A 108 25.760 4.077 -4.926 1.00 0.93 H new ATOM 0 HE1 TYR A 108 29.520 1.149 -3.553 1.00 1.76 H new ATOM 0 HE2 TYR A 108 27.744 5.053 -3.804 1.00 1.51 H new ATOM 0 HH TYR A 108 29.746 4.675 -2.889 1.00 2.48 H new ATOM 1688 N GLU A 109 24.858 -1.339 -7.342 1.00 0.01 N ATOM 1689 CA GLU A 109 23.868 -2.355 -7.835 1.00 0.01 C ATOM 1690 C GLU A 109 23.426 -3.256 -6.681 1.00 0.01 C ATOM 1691 O GLU A 109 24.233 -3.717 -5.898 1.00 0.01 O ATOM 1692 CB GLU A 109 24.555 -3.190 -8.922 1.00 0.01 C ATOM 1693 CG GLU A 109 23.557 -4.190 -9.524 1.00 0.01 C ATOM 1694 CD GLU A 109 23.403 -5.397 -8.595 1.00 0.00 C ATOM 1695 OE1 GLU A 109 24.313 -6.208 -8.554 1.00 0.00 O ATOM 1696 OE2 GLU A 109 22.376 -5.490 -7.941 1.00 0.00 O ATOM 0 H GLU A 109 25.711 -1.735 -6.948 1.00 0.01 H new ATOM 0 HA GLU A 109 22.984 -1.861 -8.239 1.00 0.01 H new ATOM 0 HB2 GLU A 109 24.944 -2.537 -9.703 1.00 0.01 H new ATOM 0 HB3 GLU A 109 25.407 -3.723 -8.499 1.00 0.01 H new ATOM 0 HG2 GLU A 109 22.590 -3.708 -9.671 1.00 0.01 H new ATOM 0 HG3 GLU A 109 23.903 -4.517 -10.505 1.00 0.01 H new ATOM 1703 N THR A 110 22.142 -3.509 -6.561 1.00 0.01 N ATOM 1704 CA THR A 110 21.659 -4.379 -5.444 1.00 0.00 C ATOM 1705 C THR A 110 20.409 -5.164 -5.858 1.00 0.01 C ATOM 1706 O THR A 110 19.640 -4.758 -6.709 1.00 0.01 O ATOM 1707 CB THR A 110 21.325 -3.519 -4.223 1.00 1.21 C ATOM 1708 OG1 THR A 110 20.850 -4.351 -3.174 1.00 1.65 O ATOM 1709 CG2 THR A 110 20.249 -2.497 -4.595 1.00 1.69 C ATOM 0 H THR A 110 21.416 -3.154 -7.183 1.00 0.01 H new ATOM 0 HA THR A 110 22.453 -5.084 -5.199 1.00 0.00 H new ATOM 0 HB THR A 110 22.221 -2.994 -3.892 1.00 1.21 H new ATOM 0 HG1 THR A 110 20.638 -3.801 -2.391 1.00 1.65 H new ATOM 0 HG21 THR A 110 20.012 -1.885 -3.725 1.00 1.69 H new ATOM 0 HG22 THR A 110 20.616 -1.858 -5.398 1.00 1.69 H new ATOM 0 HG23 THR A 110 19.351 -3.018 -4.927 1.00 1.69 H new ATOM 1717 N THR A 111 20.236 -6.313 -5.255 1.00 0.00 N ATOM 1718 CA THR A 111 19.067 -7.196 -5.565 1.00 0.01 C ATOM 1719 C THR A 111 18.112 -7.261 -4.363 1.00 0.01 C ATOM 1720 O THR A 111 17.215 -8.081 -4.332 1.00 0.01 O ATOM 1721 CB THR A 111 19.577 -8.604 -5.881 1.00 0.01 C ATOM 1722 OG1 THR A 111 20.487 -9.014 -4.871 1.00 0.01 O ATOM 1723 CG2 THR A 111 20.287 -8.601 -7.236 1.00 0.01 C ATOM 0 H THR A 111 20.868 -6.685 -4.546 1.00 0.00 H new ATOM 0 HA THR A 111 18.529 -6.789 -6.421 1.00 0.01 H new ATOM 0 HB THR A 111 18.735 -9.295 -5.916 1.00 0.01 H new ATOM 0 HG1 THR A 111 20.813 -9.916 -5.071 1.00 0.01 H new ATOM 0 HG21 THR A 111 20.649 -9.604 -7.459 1.00 0.01 H new ATOM 0 HG22 THR A 111 19.589 -8.286 -8.012 1.00 0.01 H new ATOM 0 HG23 THR A 111 21.129 -7.910 -7.204 1.00 0.01 H new ATOM 1731 N GLU A 112 18.315 -6.436 -3.357 1.00 0.01 N ATOM 1732 CA GLU A 112 17.434 -6.486 -2.136 1.00 0.01 C ATOM 1733 C GLU A 112 16.738 -5.141 -1.882 1.00 0.01 C ATOM 1734 O GLU A 112 17.140 -4.110 -2.384 1.00 0.01 O ATOM 1735 CB GLU A 112 18.301 -6.827 -0.922 1.00 0.85 C ATOM 1736 CG GLU A 112 18.804 -8.267 -1.043 1.00 1.61 C ATOM 1737 CD GLU A 112 17.645 -9.237 -0.801 1.00 2.51 C ATOM 1738 OE1 GLU A 112 16.784 -8.913 -0.001 1.00 3.07 O ATOM 1739 OE2 GLU A 112 17.640 -10.288 -1.422 1.00 3.21 O ATOM 0 H GLU A 112 19.051 -5.731 -3.327 1.00 0.01 H new ATOM 0 HA GLU A 112 16.665 -7.242 -2.299 1.00 0.01 H new ATOM 0 HB2 GLU A 112 19.145 -6.140 -0.860 1.00 0.85 H new ATOM 0 HB3 GLU A 112 17.724 -6.708 -0.005 1.00 0.85 H new ATOM 0 HG2 GLU A 112 19.229 -8.432 -2.033 1.00 1.61 H new ATOM 0 HG3 GLU A 112 19.599 -8.447 -0.320 1.00 1.61 H new ATOM 1746 N ASP A 113 15.707 -5.153 -1.071 1.00 0.01 N ATOM 1747 CA ASP A 113 14.980 -3.893 -0.728 1.00 0.01 C ATOM 1748 C ASP A 113 15.908 -3.016 0.117 1.00 0.00 C ATOM 1749 O ASP A 113 16.810 -3.508 0.765 1.00 0.01 O ATOM 1750 CB ASP A 113 13.734 -4.234 0.091 1.00 0.01 C ATOM 1751 CG ASP A 113 12.663 -4.822 -0.829 1.00 0.01 C ATOM 1752 OD1 ASP A 113 13.026 -5.536 -1.749 1.00 0.00 O ATOM 1753 OD2 ASP A 113 11.497 -4.549 -0.596 1.00 0.00 O ATOM 0 H ASP A 113 15.335 -5.993 -0.628 1.00 0.01 H new ATOM 0 HA ASP A 113 14.685 -3.370 -1.638 1.00 0.01 H new ATOM 0 HB2 ASP A 113 13.986 -4.947 0.876 1.00 0.01 H new ATOM 0 HB3 ASP A 113 13.354 -3.339 0.584 1.00 0.01 H new ATOM 1758 N CYS A 114 15.672 -1.721 0.140 1.00 0.01 N ATOM 1759 CA CYS A 114 16.518 -0.802 0.977 1.00 0.01 C ATOM 1760 C CYS A 114 15.598 0.038 1.893 1.00 0.01 C ATOM 1761 O CYS A 114 14.850 0.860 1.396 1.00 0.01 O ATOM 1762 CB CYS A 114 17.286 0.149 0.059 1.00 0.01 C ATOM 1763 SG CYS A 114 18.548 1.024 1.017 1.00 0.01 S ATOM 0 H CYS A 114 14.929 -1.260 -0.386 1.00 0.01 H new ATOM 0 HA CYS A 114 17.213 -1.390 1.576 1.00 0.01 H new ATOM 0 HB2 CYS A 114 17.752 -0.409 -0.753 1.00 0.01 H new ATOM 0 HB3 CYS A 114 16.601 0.863 -0.398 1.00 0.01 H new ATOM 0 HG CYS A 114 18.244 0.977 2.280 1.00 0.01 H new ATOM 1769 N PRO A 115 15.641 -0.118 3.210 1.00 0.01 N ATOM 1770 CA PRO A 115 14.772 0.713 4.093 1.00 0.01 C ATOM 1771 C PRO A 115 15.306 2.147 4.207 1.00 0.01 C ATOM 1772 O PRO A 115 14.551 3.082 4.408 1.00 0.01 O ATOM 1773 CB PRO A 115 14.857 -0.032 5.435 1.00 0.01 C ATOM 1774 CG PRO A 115 16.086 -0.959 5.383 1.00 0.01 C ATOM 1775 CD PRO A 115 16.519 -1.106 3.910 1.00 0.01 C ATOM 0 HA PRO A 115 13.752 0.824 3.725 1.00 0.01 H new ATOM 0 HB2 PRO A 115 14.947 0.675 6.259 1.00 0.01 H new ATOM 0 HB3 PRO A 115 13.950 -0.610 5.609 1.00 0.01 H new ATOM 0 HG2 PRO A 115 16.900 -0.545 5.979 1.00 0.01 H new ATOM 0 HG3 PRO A 115 15.845 -1.934 5.807 1.00 0.01 H new ATOM 0 HD2 PRO A 115 17.576 -0.877 3.774 1.00 0.01 H new ATOM 0 HD3 PRO A 115 16.363 -2.120 3.541 1.00 0.01 H new ATOM 1783 N SER A 116 16.597 2.324 4.091 1.00 0.01 N ATOM 1784 CA SER A 116 17.187 3.694 4.196 1.00 0.02 C ATOM 1785 C SER A 116 18.341 3.819 3.198 1.00 0.01 C ATOM 1786 O SER A 116 19.381 3.204 3.343 1.00 0.00 O ATOM 1787 CB SER A 116 17.703 3.911 5.618 1.00 0.01 C ATOM 1788 OG SER A 116 16.603 3.942 6.519 1.00 0.01 O ATOM 0 H SER A 116 17.271 1.576 3.927 1.00 0.01 H new ATOM 0 HA SER A 116 16.431 4.446 3.970 1.00 0.02 H new ATOM 0 HB2 SER A 116 18.391 3.111 5.893 1.00 0.01 H new ATOM 0 HB3 SER A 116 18.261 4.845 5.676 1.00 0.01 H new ATOM 0 HG SER A 116 16.932 4.079 7.432 1.00 0.01 H new ATOM 1794 N ILE A 117 18.135 4.590 2.162 1.00 0.01 N ATOM 1795 CA ILE A 117 19.175 4.756 1.108 1.00 0.01 C ATOM 1796 C ILE A 117 20.426 5.422 1.684 1.00 0.01 C ATOM 1797 O ILE A 117 21.531 5.081 1.312 1.00 0.00 O ATOM 1798 CB ILE A 117 18.603 5.628 -0.015 1.00 0.57 C ATOM 1799 CG1 ILE A 117 17.470 4.871 -0.716 1.00 1.44 C ATOM 1800 CG2 ILE A 117 19.697 5.957 -1.035 1.00 0.93 C ATOM 1801 CD1 ILE A 117 16.697 5.825 -1.629 1.00 1.83 C ATOM 0 H ILE A 117 17.277 5.118 2.001 1.00 0.01 H new ATOM 0 HA ILE A 117 19.453 3.775 0.722 1.00 0.01 H new ATOM 0 HB ILE A 117 18.222 6.556 0.412 1.00 0.57 H new ATOM 0 HG12 ILE A 117 17.878 4.046 -1.299 1.00 1.44 H new ATOM 0 HG13 ILE A 117 16.798 4.437 0.024 1.00 1.44 H new ATOM 0 HG21 ILE A 117 19.280 6.577 -1.829 1.00 0.93 H new ATOM 0 HG22 ILE A 117 20.505 6.496 -0.541 1.00 0.93 H new ATOM 0 HG23 ILE A 117 20.085 5.033 -1.463 1.00 0.93 H new ATOM 0 HD11 ILE A 117 15.893 5.282 -2.125 1.00 1.83 H new ATOM 0 HD12 ILE A 117 16.275 6.635 -1.035 1.00 1.83 H new ATOM 0 HD13 ILE A 117 17.372 6.238 -2.379 1.00 1.83 H new ATOM 1813 N MET A 118 20.267 6.381 2.555 1.00 0.02 N ATOM 1814 CA MET A 118 21.468 7.072 3.106 1.00 0.01 C ATOM 1815 C MET A 118 22.261 6.121 4.001 1.00 0.01 C ATOM 1816 O MET A 118 23.471 6.146 4.017 1.00 0.02 O ATOM 1817 CB MET A 118 21.052 8.308 3.907 1.00 0.24 C ATOM 1818 CG MET A 118 22.294 9.128 4.264 1.00 0.63 C ATOM 1819 SD MET A 118 21.799 10.595 5.201 1.00 1.20 S ATOM 1820 CE MET A 118 21.886 9.850 6.848 1.00 1.34 C ATOM 0 H MET A 118 19.369 6.713 2.906 1.00 0.02 H new ATOM 0 HA MET A 118 22.097 7.385 2.273 1.00 0.01 H new ATOM 0 HB2 MET A 118 20.358 8.915 3.325 1.00 0.24 H new ATOM 0 HB3 MET A 118 20.529 8.007 4.815 1.00 0.24 H new ATOM 0 HG2 MET A 118 22.985 8.524 4.852 1.00 0.63 H new ATOM 0 HG3 MET A 118 22.821 9.423 3.357 1.00 0.63 H new ATOM 0 HE1 MET A 118 21.614 10.593 7.598 1.00 1.34 H new ATOM 0 HE2 MET A 118 21.196 9.008 6.904 1.00 1.34 H new ATOM 0 HE3 MET A 118 22.901 9.500 7.036 1.00 1.34 H new ATOM 1830 N GLU A 119 21.609 5.284 4.750 1.00 0.01 N ATOM 1831 CA GLU A 119 22.369 4.361 5.634 1.00 0.02 C ATOM 1832 C GLU A 119 23.099 3.313 4.793 1.00 0.02 C ATOM 1833 O GLU A 119 24.194 2.896 5.116 1.00 0.01 O ATOM 1834 CB GLU A 119 21.399 3.661 6.589 1.00 0.30 C ATOM 1835 CG GLU A 119 22.184 2.999 7.723 1.00 0.99 C ATOM 1836 CD GLU A 119 22.726 4.077 8.664 1.00 1.69 C ATOM 1837 OE1 GLU A 119 22.015 5.039 8.901 1.00 2.11 O ATOM 1838 OE2 GLU A 119 23.842 3.922 9.132 1.00 2.07 O ATOM 0 H GLU A 119 20.593 5.197 4.790 1.00 0.01 H new ATOM 0 HA GLU A 119 23.101 4.933 6.205 1.00 0.02 H new ATOM 0 HB2 GLU A 119 20.690 4.382 6.996 1.00 0.30 H new ATOM 0 HB3 GLU A 119 20.818 2.913 6.050 1.00 0.30 H new ATOM 0 HG2 GLU A 119 21.541 2.312 8.272 1.00 0.99 H new ATOM 0 HG3 GLU A 119 23.006 2.410 7.316 1.00 0.99 H new ATOM 1845 N GLN A 120 22.474 2.839 3.751 1.00 0.00 N ATOM 1846 CA GLN A 120 23.104 1.764 2.927 1.00 0.01 C ATOM 1847 C GLN A 120 24.151 2.314 1.952 1.00 0.01 C ATOM 1848 O GLN A 120 25.215 1.747 1.800 1.00 0.01 O ATOM 1849 CB GLN A 120 22.013 1.039 2.138 1.00 0.52 C ATOM 1850 CG GLN A 120 22.620 -0.158 1.402 1.00 1.07 C ATOM 1851 CD GLN A 120 21.502 -1.085 0.923 1.00 1.08 C ATOM 1852 OE1 GLN A 120 21.554 -1.601 -0.175 1.00 0.98 O ATOM 1853 NE2 GLN A 120 20.485 -1.321 1.706 1.00 2.08 N ATOM 0 H GLN A 120 21.555 3.148 3.433 1.00 0.00 H new ATOM 0 HA GLN A 120 23.615 1.081 3.606 1.00 0.01 H new ATOM 0 HB2 GLN A 120 21.225 0.703 2.812 1.00 0.52 H new ATOM 0 HB3 GLN A 120 21.552 1.722 1.424 1.00 0.52 H new ATOM 0 HG2 GLN A 120 23.210 0.186 0.553 1.00 1.07 H new ATOM 0 HG3 GLN A 120 23.297 -0.699 2.063 1.00 1.07 H new ATOM 0 HE21 GLN A 120 20.440 -0.888 2.628 1.00 2.08 H new ATOM 0 HE22 GLN A 120 19.735 -1.938 1.396 1.00 2.08 H new ATOM 1862 N PHE A 121 23.829 3.368 1.239 1.00 0.02 N ATOM 1863 CA PHE A 121 24.778 3.906 0.205 1.00 0.01 C ATOM 1864 C PHE A 121 25.372 5.260 0.598 1.00 0.01 C ATOM 1865 O PHE A 121 26.150 5.831 -0.138 1.00 0.01 O ATOM 1866 CB PHE A 121 24.027 4.055 -1.117 1.00 0.01 C ATOM 1867 CG PHE A 121 23.323 2.759 -1.445 1.00 0.01 C ATOM 1868 CD1 PHE A 121 23.984 1.771 -2.184 1.00 0.01 C ATOM 1869 CD2 PHE A 121 22.010 2.548 -1.012 1.00 0.01 C ATOM 1870 CE1 PHE A 121 23.331 0.571 -2.488 1.00 0.01 C ATOM 1871 CE2 PHE A 121 21.357 1.349 -1.318 1.00 0.01 C ATOM 1872 CZ PHE A 121 22.018 0.360 -2.056 1.00 0.01 C ATOM 0 H PHE A 121 22.951 3.880 1.327 1.00 0.02 H new ATOM 0 HA PHE A 121 25.606 3.202 0.115 1.00 0.01 H new ATOM 0 HB2 PHE A 121 23.303 4.867 -1.047 1.00 0.01 H new ATOM 0 HB3 PHE A 121 24.722 4.316 -1.915 1.00 0.01 H new ATOM 0 HD1 PHE A 121 24.997 1.935 -2.519 1.00 0.01 H new ATOM 0 HD2 PHE A 121 21.500 3.310 -0.442 1.00 0.01 H new ATOM 0 HE1 PHE A 121 23.841 -0.192 -3.056 1.00 0.01 H new ATOM 0 HE2 PHE A 121 20.343 1.186 -0.985 1.00 0.01 H new ATOM 0 HZ PHE A 121 21.514 -0.566 -2.292 1.00 0.01 H new ATOM 1882 N HIS A 122 25.017 5.792 1.734 1.00 0.01 N ATOM 1883 CA HIS A 122 25.576 7.115 2.133 1.00 0.01 C ATOM 1884 C HIS A 122 25.199 8.166 1.085 1.00 0.01 C ATOM 1885 O HIS A 122 25.943 9.091 0.826 1.00 0.02 O ATOM 1886 CB HIS A 122 27.101 7.007 2.256 1.00 0.01 C ATOM 1887 CG HIS A 122 27.460 5.685 2.877 1.00 0.01 C ATOM 1888 ND1 HIS A 122 27.670 4.543 2.120 1.00 0.01 N ATOM 1889 CD2 HIS A 122 27.646 5.306 4.185 1.00 0.01 C ATOM 1890 CE1 HIS A 122 27.968 3.543 2.969 1.00 0.00 C ATOM 1891 NE2 HIS A 122 27.967 3.954 4.239 1.00 0.01 N ATOM 0 H HIS A 122 24.369 5.372 2.400 1.00 0.01 H new ATOM 0 HA HIS A 122 25.164 7.415 3.096 1.00 0.01 H new ATOM 0 HB2 HIS A 122 27.563 7.097 1.273 1.00 0.01 H new ATOM 0 HB3 HIS A 122 27.486 7.824 2.866 1.00 0.01 H new ATOM 0 HD2 HIS A 122 27.556 5.959 5.041 1.00 0.01 H new ATOM 0 HE1 HIS A 122 28.182 2.530 2.660 1.00 0.00 H new ATOM 0 HE2 HIS A 122 28.160 3.396 5.071 1.00 0.01 H new ATOM 1899 N LEU A 123 24.040 8.024 0.481 1.00 0.01 N ATOM 1900 CA LEU A 123 23.588 9.009 -0.562 1.00 0.01 C ATOM 1901 C LEU A 123 22.379 9.778 -0.021 1.00 0.02 C ATOM 1902 O LEU A 123 21.480 9.207 0.564 1.00 0.01 O ATOM 1903 CB LEU A 123 23.184 8.247 -1.843 1.00 0.01 C ATOM 1904 CG LEU A 123 24.402 8.070 -2.776 1.00 0.01 C ATOM 1905 CD1 LEU A 123 24.164 6.894 -3.730 1.00 0.01 C ATOM 1906 CD2 LEU A 123 24.612 9.337 -3.617 1.00 0.01 C ATOM 0 H LEU A 123 23.384 7.265 0.666 1.00 0.01 H new ATOM 0 HA LEU A 123 24.395 9.704 -0.795 1.00 0.01 H new ATOM 0 HB2 LEU A 123 22.776 7.271 -1.579 1.00 0.01 H new ATOM 0 HB3 LEU A 123 22.396 8.791 -2.364 1.00 0.01 H new ATOM 0 HG LEU A 123 25.281 7.882 -2.159 1.00 0.01 H new ATOM 0 HD11 LEU A 123 25.028 6.776 -4.385 1.00 0.01 H new ATOM 0 HD12 LEU A 123 24.019 5.981 -3.153 1.00 0.01 H new ATOM 0 HD13 LEU A 123 23.276 7.088 -4.332 1.00 0.01 H new ATOM 0 HD21 LEU A 123 25.473 9.201 -4.271 1.00 0.01 H new ATOM 0 HD22 LEU A 123 23.724 9.524 -4.221 1.00 0.01 H new ATOM 0 HD23 LEU A 123 24.788 10.187 -2.957 1.00 0.01 H new ATOM 1918 N ARG A 124 22.354 11.074 -0.206 1.00 0.01 N ATOM 1919 CA ARG A 124 21.210 11.886 0.303 1.00 0.00 C ATOM 1920 C ARG A 124 20.129 12.019 -0.773 1.00 0.01 C ATOM 1921 O ARG A 124 18.980 12.284 -0.479 1.00 0.01 O ATOM 1922 CB ARG A 124 21.708 13.283 0.685 1.00 1.67 C ATOM 1923 CG ARG A 124 22.580 13.190 1.939 1.00 1.98 C ATOM 1924 CD ARG A 124 22.964 14.598 2.396 1.00 2.92 C ATOM 1925 NE ARG A 124 23.843 14.507 3.595 1.00 3.54 N ATOM 1926 CZ ARG A 124 24.533 15.547 3.978 1.00 4.57 C ATOM 1927 NH1 ARG A 124 24.454 16.664 3.309 1.00 5.25 N ATOM 1928 NH2 ARG A 124 25.304 15.468 5.029 1.00 5.32 N ATOM 0 H ARG A 124 23.079 11.605 -0.689 1.00 0.01 H new ATOM 0 HA ARG A 124 20.787 11.387 1.175 1.00 0.00 H new ATOM 0 HB2 ARG A 124 22.280 13.714 -0.137 1.00 1.67 H new ATOM 0 HB3 ARG A 124 20.861 13.945 0.866 1.00 1.67 H new ATOM 0 HG2 ARG A 124 22.041 12.672 2.733 1.00 1.98 H new ATOM 0 HG3 ARG A 124 23.477 12.607 1.730 1.00 1.98 H new ATOM 0 HD2 ARG A 124 23.479 15.125 1.593 1.00 2.92 H new ATOM 0 HD3 ARG A 124 22.068 15.173 2.631 1.00 2.92 H new ATOM 0 HE ARG A 124 23.906 13.633 4.117 1.00 3.54 H new ATOM 0 HH11 ARG A 124 23.853 16.725 2.487 1.00 5.25 H new ATOM 0 HH12 ARG A 124 24.993 17.477 3.608 1.00 5.25 H new ATOM 0 HH21 ARG A 124 25.367 14.594 5.551 1.00 5.32 H new ATOM 0 HH22 ARG A 124 25.843 16.281 5.328 1.00 5.32 H new ATOM 1942 N GLU A 125 20.488 11.858 -2.024 1.00 0.01 N ATOM 1943 CA GLU A 125 19.485 11.998 -3.124 1.00 0.01 C ATOM 1944 C GLU A 125 19.869 11.088 -4.299 1.00 0.01 C ATOM 1945 O GLU A 125 20.990 10.634 -4.405 1.00 0.01 O ATOM 1946 CB GLU A 125 19.471 13.447 -3.615 1.00 0.01 C ATOM 1947 CG GLU A 125 19.111 14.375 -2.453 1.00 0.01 C ATOM 1948 CD GLU A 125 18.800 15.773 -2.992 1.00 0.02 C ATOM 1949 OE1 GLU A 125 19.737 16.480 -3.326 1.00 0.01 O ATOM 1950 OE2 GLU A 125 17.631 16.113 -3.061 1.00 0.02 O ATOM 0 H GLU A 125 21.435 11.635 -2.330 1.00 0.01 H new ATOM 0 HA GLU A 125 18.502 11.717 -2.746 1.00 0.01 H new ATOM 0 HB2 GLU A 125 20.447 13.715 -4.019 1.00 0.01 H new ATOM 0 HB3 GLU A 125 18.749 13.562 -4.423 1.00 0.01 H new ATOM 0 HG2 GLU A 125 18.249 13.982 -1.914 1.00 0.01 H new ATOM 0 HG3 GLU A 125 19.937 14.423 -1.743 1.00 0.01 H new ATOM 1957 N ILE A 126 18.946 10.851 -5.201 1.00 0.01 N ATOM 1958 CA ILE A 126 19.245 10.004 -6.405 1.00 0.01 C ATOM 1959 C ILE A 126 18.729 10.753 -7.640 1.00 0.01 C ATOM 1960 O ILE A 126 17.604 11.212 -7.661 1.00 0.01 O ATOM 1961 CB ILE A 126 18.538 8.647 -6.272 1.00 1.33 C ATOM 1962 CG1 ILE A 126 19.318 7.787 -5.269 1.00 1.49 C ATOM 1963 CG2 ILE A 126 18.504 7.937 -7.636 1.00 2.17 C ATOM 1964 CD1 ILE A 126 18.583 6.472 -5.018 1.00 1.70 C ATOM 0 H ILE A 126 17.992 11.209 -5.156 1.00 0.01 H new ATOM 0 HA ILE A 126 20.316 9.823 -6.494 1.00 0.01 H new ATOM 0 HB ILE A 126 17.515 8.797 -5.927 1.00 1.33 H new ATOM 0 HG12 ILE A 126 20.318 7.585 -5.652 1.00 1.49 H new ATOM 0 HG13 ILE A 126 19.439 8.329 -4.331 1.00 1.49 H new ATOM 0 HG21 ILE A 126 18.001 6.975 -7.533 1.00 2.17 H new ATOM 0 HG22 ILE A 126 17.964 8.554 -8.354 1.00 2.17 H new ATOM 0 HG23 ILE A 126 19.523 7.778 -7.989 1.00 2.17 H new ATOM 0 HD11 ILE A 126 19.147 5.871 -4.305 1.00 1.70 H new ATOM 0 HD12 ILE A 126 17.592 6.680 -4.614 1.00 1.70 H new ATOM 0 HD13 ILE A 126 18.485 5.925 -5.956 1.00 1.70 H new ATOM 1976 N HIS A 127 19.555 10.918 -8.652 1.00 0.01 N ATOM 1977 CA HIS A 127 19.118 11.688 -9.865 1.00 0.01 C ATOM 1978 C HIS A 127 18.901 10.786 -11.084 1.00 0.01 C ATOM 1979 O HIS A 127 18.317 11.198 -12.067 1.00 0.01 O ATOM 1980 CB HIS A 127 20.169 12.748 -10.204 1.00 0.02 C ATOM 1981 CG HIS A 127 20.174 13.809 -9.138 1.00 0.01 C ATOM 1982 ND1 HIS A 127 19.962 13.515 -7.801 1.00 0.01 N ATOM 1983 CD2 HIS A 127 20.365 15.168 -9.198 1.00 0.01 C ATOM 1984 CE1 HIS A 127 20.029 14.672 -7.115 1.00 0.01 C ATOM 1985 NE2 HIS A 127 20.274 15.710 -7.918 1.00 0.02 N ATOM 0 H HIS A 127 20.507 10.555 -8.690 1.00 0.01 H new ATOM 0 HA HIS A 127 18.163 12.155 -9.626 1.00 0.01 H new ATOM 0 HB2 HIS A 127 21.154 12.288 -10.278 1.00 0.02 H new ATOM 0 HB3 HIS A 127 19.951 13.194 -11.175 1.00 0.02 H new ATOM 0 HD2 HIS A 127 20.556 15.730 -10.100 1.00 0.01 H new ATOM 0 HE1 HIS A 127 19.900 14.751 -6.046 1.00 0.01 H new ATOM 0 HE2 HIS A 127 20.373 16.690 -7.651 1.00 0.02 H new ATOM 1993 N SER A 128 19.335 9.553 -11.032 1.00 0.01 N ATOM 1994 CA SER A 128 19.116 8.635 -12.187 1.00 0.01 C ATOM 1995 C SER A 128 19.224 7.187 -11.701 1.00 0.01 C ATOM 1996 O SER A 128 19.908 6.898 -10.738 1.00 0.01 O ATOM 1997 CB SER A 128 20.178 8.896 -13.257 1.00 0.01 C ATOM 1998 OG SER A 128 20.240 7.782 -14.140 1.00 0.01 O ATOM 0 H SER A 128 19.831 9.144 -10.240 1.00 0.01 H new ATOM 0 HA SER A 128 18.128 8.808 -12.613 1.00 0.01 H new ATOM 0 HB2 SER A 128 19.936 9.802 -13.813 1.00 0.01 H new ATOM 0 HB3 SER A 128 21.149 9.059 -12.790 1.00 0.01 H new ATOM 0 HG SER A 128 21.110 7.340 -14.049 1.00 0.01 H new ATOM 2004 N CYS A 129 18.547 6.276 -12.348 1.00 0.01 N ATOM 2005 CA CYS A 129 18.600 4.851 -11.915 1.00 0.01 C ATOM 2006 C CYS A 129 17.958 3.975 -12.994 1.00 0.00 C ATOM 2007 O CYS A 129 17.036 4.398 -13.664 1.00 0.01 O ATOM 2008 CB CYS A 129 17.841 4.686 -10.596 1.00 0.69 C ATOM 2009 SG CYS A 129 17.557 2.928 -10.272 1.00 1.22 S ATOM 0 H CYS A 129 17.958 6.459 -13.160 1.00 0.01 H new ATOM 0 HA CYS A 129 19.637 4.550 -11.769 1.00 0.01 H new ATOM 0 HB2 CYS A 129 18.411 5.129 -9.779 1.00 0.69 H new ATOM 0 HB3 CYS A 129 16.889 5.215 -10.644 1.00 0.69 H new ATOM 0 HG CYS A 129 18.687 2.287 -10.333 1.00 1.22 H new ATOM 2015 N LYS A 130 18.434 2.760 -13.174 1.00 0.01 N ATOM 2016 CA LYS A 130 17.842 1.860 -14.221 1.00 0.01 C ATOM 2017 C LYS A 130 17.337 0.568 -13.567 1.00 0.01 C ATOM 2018 O LYS A 130 18.092 -0.261 -13.090 1.00 0.01 O ATOM 2019 CB LYS A 130 18.910 1.529 -15.284 1.00 0.55 C ATOM 2020 CG LYS A 130 18.236 1.210 -16.624 1.00 0.80 C ATOM 2021 CD LYS A 130 19.304 0.864 -17.665 1.00 0.29 C ATOM 2022 CE LYS A 130 18.647 0.727 -19.040 1.00 0.33 C ATOM 2023 NZ LYS A 130 18.099 2.047 -19.461 1.00 1.41 N ATOM 0 H LYS A 130 19.204 2.355 -12.642 1.00 0.01 H new ATOM 0 HA LYS A 130 17.005 2.366 -14.701 1.00 0.01 H new ATOM 0 HB2 LYS A 130 19.591 2.372 -15.402 1.00 0.55 H new ATOM 0 HB3 LYS A 130 19.509 0.679 -14.957 1.00 0.55 H new ATOM 0 HG2 LYS A 130 17.545 0.375 -16.506 1.00 0.80 H new ATOM 0 HG3 LYS A 130 17.649 2.065 -16.960 1.00 0.80 H new ATOM 0 HD2 LYS A 130 20.068 1.641 -17.690 1.00 0.29 H new ATOM 0 HD3 LYS A 130 19.804 -0.066 -17.394 1.00 0.29 H new ATOM 0 HE2 LYS A 130 19.376 0.374 -19.770 1.00 0.33 H new ATOM 0 HE3 LYS A 130 17.849 -0.015 -19.002 1.00 0.33 H new ATOM 0 HZ1 LYS A 130 18.027 2.078 -20.498 1.00 1.41 H new ATOM 0 HZ2 LYS A 130 17.155 2.180 -19.044 1.00 1.41 H new ATOM 0 HZ3 LYS A 130 18.732 2.805 -19.135 1.00 1.41 H new ATOM 2037 N VAL A 131 16.043 0.412 -13.555 1.00 0.01 N ATOM 2038 CA VAL A 131 15.385 -0.794 -12.970 1.00 0.01 C ATOM 2039 C VAL A 131 14.726 -1.564 -14.114 1.00 0.01 C ATOM 2040 O VAL A 131 13.977 -0.988 -14.878 1.00 0.01 O ATOM 2041 CB VAL A 131 14.318 -0.350 -11.961 1.00 0.01 C ATOM 2042 CG1 VAL A 131 13.952 -1.520 -11.047 1.00 0.01 C ATOM 2043 CG2 VAL A 131 14.864 0.810 -11.119 1.00 0.01 C ATOM 0 H VAL A 131 15.390 1.095 -13.940 1.00 0.01 H new ATOM 0 HA VAL A 131 16.113 -1.423 -12.458 1.00 0.01 H new ATOM 0 HB VAL A 131 13.427 -0.023 -12.497 1.00 0.01 H new ATOM 0 HG11 VAL A 131 13.194 -1.200 -10.332 1.00 0.01 H new ATOM 0 HG12 VAL A 131 13.561 -2.342 -11.647 1.00 0.01 H new ATOM 0 HG13 VAL A 131 14.840 -1.853 -10.510 1.00 0.01 H new ATOM 0 HG21 VAL A 131 14.107 1.127 -10.402 1.00 0.01 H new ATOM 0 HG22 VAL A 131 15.756 0.483 -10.585 1.00 0.01 H new ATOM 0 HG23 VAL A 131 15.117 1.645 -11.772 1.00 0.01 H new ATOM 2053 N VAL A 132 14.936 -2.858 -14.227 1.00 0.01 N ATOM 2054 CA VAL A 132 14.258 -3.638 -15.291 1.00 0.01 C ATOM 2055 C VAL A 132 13.621 -4.849 -14.624 1.00 0.00 C ATOM 2056 O VAL A 132 14.210 -5.901 -14.471 1.00 0.01 O ATOM 2057 CB VAL A 132 15.287 -4.102 -16.323 1.00 1.22 C ATOM 2058 CG1 VAL A 132 14.571 -4.821 -17.468 1.00 1.00 C ATOM 2059 CG2 VAL A 132 16.038 -2.888 -16.875 1.00 1.98 C ATOM 0 H VAL A 132 15.552 -3.400 -13.621 1.00 0.01 H new ATOM 0 HA VAL A 132 13.507 -3.033 -15.799 1.00 0.01 H new ATOM 0 HB VAL A 132 15.994 -4.784 -15.851 1.00 1.22 H new ATOM 0 HG11 VAL A 132 15.303 -5.152 -18.204 1.00 1.00 H new ATOM 0 HG12 VAL A 132 14.034 -5.685 -17.076 1.00 1.00 H new ATOM 0 HG13 VAL A 132 13.864 -4.139 -17.941 1.00 1.00 H new ATOM 0 HG21 VAL A 132 16.772 -3.218 -17.611 1.00 1.98 H new ATOM 0 HG22 VAL A 132 15.331 -2.207 -17.348 1.00 1.98 H new ATOM 0 HG23 VAL A 132 16.547 -2.374 -16.060 1.00 1.98 H new ATOM 2069 N GLU A 133 12.396 -4.686 -14.275 1.00 0.01 N ATOM 2070 CA GLU A 133 11.588 -5.771 -13.651 1.00 0.01 C ATOM 2071 C GLU A 133 10.160 -5.554 -14.133 1.00 0.01 C ATOM 2072 O GLU A 133 9.659 -6.262 -14.983 1.00 0.01 O ATOM 2073 CB GLU A 133 11.650 -5.666 -12.124 1.00 0.00 C ATOM 2074 CG GLU A 133 10.964 -6.882 -11.497 1.00 0.00 C ATOM 2075 CD GLU A 133 10.679 -6.606 -10.019 1.00 0.00 C ATOM 2076 OE1 GLU A 133 9.904 -5.705 -9.743 1.00 0.00 O ATOM 2077 OE2 GLU A 133 11.241 -7.300 -9.188 1.00 0.00 O ATOM 0 H GLU A 133 11.888 -3.810 -14.397 1.00 0.01 H new ATOM 0 HA GLU A 133 11.961 -6.758 -13.926 1.00 0.01 H new ATOM 0 HB2 GLU A 133 12.688 -5.612 -11.795 1.00 0.00 H new ATOM 0 HB3 GLU A 133 11.162 -4.749 -11.792 1.00 0.00 H new ATOM 0 HG2 GLU A 133 10.034 -7.099 -12.023 1.00 0.00 H new ATOM 0 HG3 GLU A 133 11.599 -7.762 -11.597 1.00 0.00 H new ATOM 2084 N GLY A 134 9.501 -4.574 -13.585 1.00 0.01 N ATOM 2085 CA GLY A 134 8.102 -4.284 -13.982 1.00 0.01 C ATOM 2086 C GLY A 134 7.594 -3.130 -13.121 1.00 0.01 C ATOM 2087 O GLY A 134 7.543 -1.998 -13.557 1.00 0.01 O ATOM 0 H GLY A 134 9.880 -3.954 -12.869 1.00 0.01 H new ATOM 0 HA2 GLY A 134 8.053 -4.021 -15.039 1.00 0.01 H new ATOM 0 HA3 GLY A 134 7.477 -5.166 -13.844 1.00 0.01 H new ATOM 2091 N THR A 135 7.229 -3.412 -11.891 1.00 0.01 N ATOM 2092 CA THR A 135 6.730 -2.341 -10.970 1.00 0.01 C ATOM 2093 C THR A 135 7.606 -2.277 -9.706 1.00 0.01 C ATOM 2094 O THR A 135 7.788 -3.254 -9.008 1.00 0.01 O ATOM 2095 CB THR A 135 5.277 -2.637 -10.587 1.00 1.43 C ATOM 2096 OG1 THR A 135 4.913 -1.827 -9.481 1.00 1.92 O ATOM 2097 CG2 THR A 135 5.118 -4.115 -10.222 1.00 2.30 C ATOM 0 H THR A 135 7.256 -4.347 -11.483 1.00 0.01 H new ATOM 0 HA THR A 135 6.782 -1.378 -11.477 1.00 0.01 H new ATOM 0 HB THR A 135 4.628 -2.415 -11.434 1.00 1.43 H new ATOM 0 HG1 THR A 135 3.961 -1.952 -9.283 1.00 1.92 H new ATOM 0 HG21 THR A 135 4.081 -4.313 -9.951 1.00 2.30 H new ATOM 0 HG22 THR A 135 5.395 -4.733 -11.076 1.00 2.30 H new ATOM 0 HG23 THR A 135 5.765 -4.353 -9.378 1.00 2.30 H new ATOM 2105 N TRP A 136 8.132 -1.117 -9.409 1.00 0.01 N ATOM 2106 CA TRP A 136 8.991 -0.923 -8.189 1.00 0.01 C ATOM 2107 C TRP A 136 8.394 0.247 -7.400 1.00 0.01 C ATOM 2108 O TRP A 136 7.787 1.120 -7.989 1.00 0.00 O ATOM 2109 CB TRP A 136 10.435 -0.598 -8.613 1.00 0.01 C ATOM 2110 CG TRP A 136 11.207 -1.866 -8.815 1.00 0.01 C ATOM 2111 CD1 TRP A 136 10.900 -2.833 -9.710 1.00 0.01 C ATOM 2112 CD2 TRP A 136 12.405 -2.316 -8.119 1.00 0.01 C ATOM 2113 NE1 TRP A 136 11.835 -3.849 -9.605 1.00 0.00 N ATOM 2114 CE2 TRP A 136 12.782 -3.576 -8.639 1.00 0.01 C ATOM 2115 CE3 TRP A 136 13.192 -1.758 -7.098 1.00 0.01 C ATOM 2116 CZ2 TRP A 136 13.902 -4.258 -8.161 1.00 0.01 C ATOM 2117 CZ3 TRP A 136 14.320 -2.442 -6.615 1.00 0.01 C ATOM 2118 CH2 TRP A 136 14.674 -3.690 -7.146 1.00 0.01 C ATOM 0 H TRP A 136 8.003 -0.275 -9.969 1.00 0.01 H new ATOM 0 HA TRP A 136 9.015 -1.826 -7.579 1.00 0.01 H new ATOM 0 HB2 TRP A 136 10.430 -0.015 -9.534 1.00 0.01 H new ATOM 0 HB3 TRP A 136 10.918 0.014 -7.851 1.00 0.01 H new ATOM 0 HD1 TRP A 136 10.064 -2.815 -10.393 1.00 0.01 H new ATOM 0 HE1 TRP A 136 11.825 -4.696 -10.173 1.00 0.00 H new ATOM 0 HE3 TRP A 136 12.928 -0.797 -6.682 1.00 0.01 H new ATOM 0 HZ2 TRP A 136 14.170 -5.219 -8.574 1.00 0.01 H new ATOM 0 HZ3 TRP A 136 14.918 -2.004 -5.830 1.00 0.01 H new ATOM 0 HH2 TRP A 136 15.542 -4.211 -6.771 1.00 0.01 H new ATOM 2129 N ILE A 137 8.549 0.310 -6.087 1.00 0.01 N ATOM 2130 CA ILE A 137 7.969 1.468 -5.322 1.00 0.00 C ATOM 2131 C ILE A 137 9.074 2.223 -4.585 1.00 0.01 C ATOM 2132 O ILE A 137 9.926 1.642 -3.944 1.00 0.01 O ATOM 2133 CB ILE A 137 6.975 0.959 -4.274 1.00 0.60 C ATOM 2134 CG1 ILE A 137 5.945 0.026 -4.915 1.00 1.32 C ATOM 2135 CG2 ILE A 137 6.253 2.155 -3.649 1.00 1.37 C ATOM 2136 CD1 ILE A 137 5.125 -0.668 -3.819 1.00 1.69 C ATOM 0 H ILE A 137 9.045 -0.381 -5.523 1.00 0.01 H new ATOM 0 HA ILE A 137 7.471 2.126 -6.034 1.00 0.00 H new ATOM 0 HB ILE A 137 7.520 0.405 -3.510 1.00 0.60 H new ATOM 0 HG12 ILE A 137 5.286 0.593 -5.572 1.00 1.32 H new ATOM 0 HG13 ILE A 137 6.448 -0.718 -5.533 1.00 1.32 H new ATOM 0 HG21 ILE A 137 5.543 1.801 -2.901 1.00 1.37 H new ATOM 0 HG22 ILE A 137 6.982 2.813 -3.175 1.00 1.37 H new ATOM 0 HG23 ILE A 137 5.719 2.704 -4.425 1.00 1.37 H new ATOM 0 HD11 ILE A 137 4.392 -1.332 -4.278 1.00 1.69 H new ATOM 0 HD12 ILE A 137 5.790 -1.248 -3.179 1.00 1.69 H new ATOM 0 HD13 ILE A 137 4.609 0.083 -3.220 1.00 1.69 H new ATOM 2148 N PHE A 138 9.034 3.527 -4.657 1.00 0.01 N ATOM 2149 CA PHE A 138 10.039 4.382 -3.951 1.00 0.01 C ATOM 2150 C PHE A 138 9.294 5.178 -2.884 1.00 0.01 C ATOM 2151 O PHE A 138 8.168 5.574 -3.096 1.00 0.00 O ATOM 2152 CB PHE A 138 10.691 5.329 -4.956 1.00 1.11 C ATOM 2153 CG PHE A 138 11.635 4.540 -5.832 1.00 1.11 C ATOM 2154 CD1 PHE A 138 12.960 4.337 -5.430 1.00 1.46 C ATOM 2155 CD2 PHE A 138 11.184 4.004 -7.045 1.00 1.54 C ATOM 2156 CE1 PHE A 138 13.834 3.603 -6.238 1.00 2.01 C ATOM 2157 CE2 PHE A 138 12.057 3.269 -7.853 1.00 2.35 C ATOM 2158 CZ PHE A 138 13.384 3.068 -7.450 1.00 2.49 C ATOM 0 H PHE A 138 8.334 4.048 -5.185 1.00 0.01 H new ATOM 0 HA PHE A 138 10.819 3.774 -3.493 1.00 0.01 H new ATOM 0 HB2 PHE A 138 9.929 5.815 -5.565 1.00 1.11 H new ATOM 0 HB3 PHE A 138 11.232 6.118 -4.434 1.00 1.11 H new ATOM 0 HD1 PHE A 138 13.308 4.748 -4.494 1.00 1.46 H new ATOM 0 HD2 PHE A 138 10.161 4.159 -7.356 1.00 1.54 H new ATOM 0 HE1 PHE A 138 14.857 3.449 -5.926 1.00 2.01 H new ATOM 0 HE2 PHE A 138 11.708 2.856 -8.788 1.00 2.35 H new ATOM 0 HZ PHE A 138 14.059 2.501 -8.074 1.00 2.49 H new ATOM 2168 N TYR A 139 9.903 5.424 -1.742 1.00 0.01 N ATOM 2169 CA TYR A 139 9.217 6.203 -0.660 1.00 0.01 C ATOM 2170 C TYR A 139 10.066 7.424 -0.287 1.00 0.01 C ATOM 2171 O TYR A 139 11.284 7.382 -0.331 1.00 0.01 O ATOM 2172 CB TYR A 139 9.033 5.311 0.570 1.00 0.01 C ATOM 2173 CG TYR A 139 8.336 4.030 0.166 1.00 0.01 C ATOM 2174 CD1 TYR A 139 9.029 3.052 -0.556 1.00 0.01 C ATOM 2175 CD2 TYR A 139 6.997 3.818 0.520 1.00 0.01 C ATOM 2176 CE1 TYR A 139 8.385 1.866 -0.926 1.00 0.01 C ATOM 2177 CE2 TYR A 139 6.354 2.631 0.150 1.00 0.02 C ATOM 2178 CZ TYR A 139 7.048 1.656 -0.573 1.00 0.02 C ATOM 2179 OH TYR A 139 6.414 0.486 -0.937 1.00 0.00 O ATOM 0 H TYR A 139 10.849 5.116 -1.515 1.00 0.01 H new ATOM 0 HA TYR A 139 8.243 6.538 -1.016 1.00 0.01 H new ATOM 0 HB2 TYR A 139 10.001 5.085 1.017 1.00 0.01 H new ATOM 0 HB3 TYR A 139 8.447 5.833 1.326 1.00 0.01 H new ATOM 0 HD1 TYR A 139 10.062 3.213 -0.828 1.00 0.01 H new ATOM 0 HD2 TYR A 139 6.461 4.571 1.079 1.00 0.01 H new ATOM 0 HE1 TYR A 139 8.921 1.112 -1.484 1.00 0.01 H new ATOM 0 HE2 TYR A 139 5.322 2.468 0.423 1.00 0.02 H new ATOM 0 HH TYR A 139 5.489 0.500 -0.612 1.00 0.00 H new ATOM 2189 N GLU A 140 9.429 8.527 0.019 1.00 0.01 N ATOM 2190 CA GLU A 140 10.176 9.786 0.321 1.00 0.02 C ATOM 2191 C GLU A 140 10.806 9.771 1.723 1.00 0.01 C ATOM 2192 O GLU A 140 11.815 10.412 1.936 1.00 0.01 O ATOM 2193 CB GLU A 140 9.177 10.940 0.239 1.00 0.01 C ATOM 2194 CG GLU A 140 9.906 12.263 0.479 1.00 0.02 C ATOM 2195 CD GLU A 140 8.979 13.428 0.122 1.00 0.02 C ATOM 2196 OE1 GLU A 140 7.788 13.306 0.359 1.00 0.02 O ATOM 2197 OE2 GLU A 140 9.476 14.421 -0.384 1.00 0.01 O ATOM 0 H GLU A 140 8.414 8.609 0.073 1.00 0.01 H new ATOM 0 HA GLU A 140 10.989 9.892 -0.397 1.00 0.02 H new ATOM 0 HB2 GLU A 140 8.696 10.950 -0.739 1.00 0.01 H new ATOM 0 HB3 GLU A 140 8.389 10.807 0.981 1.00 0.01 H new ATOM 0 HG2 GLU A 140 10.215 12.336 1.522 1.00 0.02 H new ATOM 0 HG3 GLU A 140 10.812 12.306 -0.126 1.00 0.02 H new ATOM 2204 N LEU A 141 10.236 9.076 2.686 1.00 0.01 N ATOM 2205 CA LEU A 141 10.835 9.068 4.069 1.00 0.02 C ATOM 2206 C LEU A 141 11.309 7.639 4.405 1.00 0.01 C ATOM 2207 O LEU A 141 10.798 6.676 3.862 1.00 0.01 O ATOM 2208 CB LEU A 141 9.749 9.509 5.073 1.00 0.57 C ATOM 2209 CG LEU A 141 9.684 11.050 5.148 1.00 0.81 C ATOM 2210 CD1 LEU A 141 8.309 11.482 5.667 1.00 1.48 C ATOM 2211 CD2 LEU A 141 10.763 11.588 6.100 1.00 1.24 C ATOM 0 H LEU A 141 9.389 8.518 2.577 1.00 0.01 H new ATOM 0 HA LEU A 141 11.685 9.748 4.122 1.00 0.02 H new ATOM 0 HB2 LEU A 141 8.780 9.112 4.770 1.00 0.57 H new ATOM 0 HB3 LEU A 141 9.967 9.099 6.059 1.00 0.57 H new ATOM 0 HG LEU A 141 9.852 11.452 4.149 1.00 0.81 H new ATOM 0 HD11 LEU A 141 8.265 12.570 5.719 1.00 1.48 H new ATOM 0 HD12 LEU A 141 7.535 11.120 4.991 1.00 1.48 H new ATOM 0 HD13 LEU A 141 8.147 11.064 6.661 1.00 1.48 H new ATOM 0 HD21 LEU A 141 10.703 12.676 6.141 1.00 1.24 H new ATOM 0 HD22 LEU A 141 10.605 11.178 7.098 1.00 1.24 H new ATOM 0 HD23 LEU A 141 11.748 11.293 5.738 1.00 1.24 H new ATOM 2223 N PRO A 142 12.280 7.490 5.294 1.00 0.01 N ATOM 2224 CA PRO A 142 12.794 6.138 5.657 1.00 0.01 C ATOM 2225 C PRO A 142 11.684 5.184 6.117 1.00 0.01 C ATOM 2226 O PRO A 142 10.586 5.578 6.454 1.00 0.01 O ATOM 2227 CB PRO A 142 13.788 6.442 6.802 1.00 0.01 C ATOM 2228 CG PRO A 142 13.739 7.954 7.101 1.00 0.02 C ATOM 2229 CD PRO A 142 12.933 8.642 5.987 1.00 0.01 C ATOM 0 HA PRO A 142 13.247 5.625 4.808 1.00 0.01 H new ATOM 0 HB2 PRO A 142 13.527 5.871 7.693 1.00 0.01 H new ATOM 0 HB3 PRO A 142 14.797 6.144 6.517 1.00 0.01 H new ATOM 0 HG2 PRO A 142 13.276 8.134 8.071 1.00 0.02 H new ATOM 0 HG3 PRO A 142 14.748 8.364 7.148 1.00 0.02 H new ATOM 0 HD2 PRO A 142 12.200 9.340 6.390 1.00 0.01 H new ATOM 0 HD3 PRO A 142 13.576 9.208 5.313 1.00 0.01 H new ATOM 2237 N ASN A 143 12.016 3.922 6.146 1.00 0.01 N ATOM 2238 CA ASN A 143 11.057 2.874 6.600 1.00 0.01 C ATOM 2239 C ASN A 143 9.798 2.847 5.729 1.00 0.01 C ATOM 2240 O ASN A 143 8.722 2.509 6.179 1.00 0.01 O ATOM 2241 CB ASN A 143 10.658 3.154 8.051 1.00 0.23 C ATOM 2242 CG ASN A 143 9.978 1.917 8.642 1.00 0.11 C ATOM 2243 OD1 ASN A 143 10.101 0.831 8.113 1.00 0.75 O ATOM 2244 ND2 ASN A 143 9.261 2.035 9.727 1.00 0.56 N ATOM 0 H ASN A 143 12.931 3.566 5.868 1.00 0.01 H new ATOM 0 HA ASN A 143 11.548 1.905 6.517 1.00 0.01 H new ATOM 0 HB2 ASN A 143 11.539 3.413 8.638 1.00 0.23 H new ATOM 0 HB3 ASN A 143 9.983 4.009 8.095 1.00 0.23 H new ATOM 0 HD21 ASN A 143 8.805 1.216 10.129 1.00 0.56 H new ATOM 0 HD22 ASN A 143 9.157 2.947 10.173 1.00 0.56 H new ATOM 2251 N TYR A 144 9.941 3.167 4.471 1.00 0.01 N ATOM 2252 CA TYR A 144 8.781 3.128 3.534 1.00 0.02 C ATOM 2253 C TYR A 144 7.638 4.026 4.024 1.00 0.01 C ATOM 2254 O TYR A 144 6.504 3.599 4.116 1.00 0.01 O ATOM 2255 CB TYR A 144 8.289 1.680 3.412 1.00 0.01 C ATOM 2256 CG TYR A 144 9.485 0.752 3.440 1.00 0.01 C ATOM 2257 CD1 TYR A 144 10.474 0.863 2.455 1.00 0.01 C ATOM 2258 CD2 TYR A 144 9.610 -0.210 4.452 1.00 0.01 C ATOM 2259 CE1 TYR A 144 11.588 0.012 2.480 1.00 0.01 C ATOM 2260 CE2 TYR A 144 10.723 -1.058 4.478 1.00 0.01 C ATOM 2261 CZ TYR A 144 11.712 -0.947 3.493 1.00 0.01 C ATOM 2262 OH TYR A 144 12.809 -1.783 3.521 1.00 0.01 O ATOM 0 H TYR A 144 10.823 3.457 4.048 1.00 0.01 H new ATOM 0 HA TYR A 144 9.104 3.500 2.562 1.00 0.02 H new ATOM 0 HB2 TYR A 144 7.609 1.443 4.230 1.00 0.01 H new ATOM 0 HB3 TYR A 144 7.731 1.548 2.485 1.00 0.01 H new ATOM 0 HD1 TYR A 144 10.379 1.605 1.676 1.00 0.01 H new ATOM 0 HD2 TYR A 144 8.847 -0.297 5.212 1.00 0.01 H new ATOM 0 HE1 TYR A 144 12.350 0.096 1.719 1.00 0.01 H new ATOM 0 HE2 TYR A 144 10.819 -1.798 5.258 1.00 0.01 H new ATOM 0 HH TYR A 144 12.740 -2.388 4.289 1.00 0.01 H new ATOM 2272 N ARG A 145 7.930 5.267 4.333 1.00 0.02 N ATOM 2273 CA ARG A 145 6.860 6.207 4.815 1.00 0.01 C ATOM 2274 C ARG A 145 6.854 7.473 3.955 1.00 0.01 C ATOM 2275 O ARG A 145 7.780 7.731 3.212 1.00 0.01 O ATOM 2276 CB ARG A 145 7.145 6.595 6.268 1.00 0.01 C ATOM 2277 CG ARG A 145 7.361 5.330 7.101 1.00 0.02 C ATOM 2278 CD ARG A 145 7.679 5.715 8.547 1.00 0.01 C ATOM 2279 NE ARG A 145 6.564 6.530 9.105 1.00 0.01 N ATOM 2280 CZ ARG A 145 6.469 6.711 10.394 1.00 0.01 C ATOM 2281 NH1 ARG A 145 7.347 6.172 11.194 1.00 0.02 N ATOM 2282 NH2 ARG A 145 5.495 7.428 10.883 1.00 0.01 N ATOM 0 H ARG A 145 8.864 5.673 4.273 1.00 0.02 H new ATOM 0 HA ARG A 145 5.891 5.713 4.743 1.00 0.01 H new ATOM 0 HB2 ARG A 145 8.028 7.232 6.319 1.00 0.01 H new ATOM 0 HB3 ARG A 145 6.313 7.171 6.672 1.00 0.01 H new ATOM 0 HG2 ARG A 145 6.469 4.704 7.069 1.00 0.02 H new ATOM 0 HG3 ARG A 145 8.178 4.742 6.683 1.00 0.02 H new ATOM 0 HD2 ARG A 145 7.824 4.818 9.149 1.00 0.01 H new ATOM 0 HD3 ARG A 145 8.611 6.279 8.587 1.00 0.01 H new ATOM 0 HE ARG A 145 5.874 6.947 8.479 1.00 0.01 H new ATOM 0 HH11 ARG A 145 8.107 5.609 10.812 1.00 0.02 H new ATOM 0 HH12 ARG A 145 7.273 6.313 12.201 1.00 0.02 H new ATOM 0 HH21 ARG A 145 4.807 7.848 10.258 1.00 0.01 H new ATOM 0 HH22 ARG A 145 5.422 7.569 11.891 1.00 0.01 H new ATOM 2296 N GLY A 146 5.807 8.259 4.032 1.00 0.01 N ATOM 2297 CA GLY A 146 5.732 9.508 3.215 1.00 0.02 C ATOM 2298 C GLY A 146 5.095 9.216 1.853 1.00 0.01 C ATOM 2299 O GLY A 146 4.499 8.180 1.636 1.00 0.02 O ATOM 0 H GLY A 146 4.998 8.087 4.629 1.00 0.01 H new ATOM 0 HA2 GLY A 146 5.148 10.261 3.743 1.00 0.02 H new ATOM 0 HA3 GLY A 146 6.732 9.920 3.076 1.00 0.02 H new ATOM 2303 N ARG A 147 5.221 10.137 0.936 1.00 0.01 N ATOM 2304 CA ARG A 147 4.629 9.946 -0.420 1.00 0.01 C ATOM 2305 C ARG A 147 5.402 8.857 -1.156 1.00 0.01 C ATOM 2306 O ARG A 147 6.599 8.709 -1.003 1.00 0.01 O ATOM 2307 CB ARG A 147 4.730 11.258 -1.201 1.00 0.01 C ATOM 2308 CG ARG A 147 4.007 11.111 -2.541 1.00 0.01 C ATOM 2309 CD ARG A 147 3.812 12.491 -3.171 1.00 0.01 C ATOM 2310 NE ARG A 147 2.765 13.239 -2.419 1.00 0.02 N ATOM 2311 CZ ARG A 147 2.641 14.527 -2.580 1.00 0.02 C ATOM 2312 NH1 ARG A 147 3.434 15.160 -3.400 1.00 0.01 N ATOM 2313 NH2 ARG A 147 1.725 15.183 -1.922 1.00 0.02 N ATOM 0 H ARG A 147 5.713 11.021 1.069 1.00 0.01 H new ATOM 0 HA ARG A 147 3.583 9.653 -0.329 1.00 0.01 H new ATOM 0 HB2 ARG A 147 4.289 12.071 -0.625 1.00 0.01 H new ATOM 0 HB3 ARG A 147 5.776 11.516 -1.366 1.00 0.01 H new ATOM 0 HG2 ARG A 147 4.585 10.473 -3.210 1.00 0.01 H new ATOM 0 HG3 ARG A 147 3.041 10.627 -2.394 1.00 0.01 H new ATOM 0 HD2 ARG A 147 4.751 13.045 -3.156 1.00 0.01 H new ATOM 0 HD3 ARG A 147 3.520 12.387 -4.216 1.00 0.01 H new ATOM 0 HE ARG A 147 2.145 12.743 -1.778 1.00 0.02 H new ATOM 0 HH11 ARG A 147 4.150 14.647 -3.914 1.00 0.01 H new ATOM 0 HH12 ARG A 147 3.338 16.168 -3.527 1.00 0.01 H new ATOM 0 HH21 ARG A 147 1.105 14.688 -1.281 1.00 0.02 H new ATOM 0 HH22 ARG A 147 1.629 16.191 -2.049 1.00 0.02 H new ATOM 2327 N GLN A 148 4.698 8.061 -1.928 1.00 0.01 N ATOM 2328 CA GLN A 148 5.340 6.932 -2.666 1.00 0.01 C ATOM 2329 C GLN A 148 5.240 7.176 -4.178 1.00 0.01 C ATOM 2330 O GLN A 148 4.303 7.783 -4.657 1.00 0.01 O ATOM 2331 CB GLN A 148 4.570 5.654 -2.308 1.00 0.00 C ATOM 2332 CG GLN A 148 4.203 5.680 -0.825 1.00 0.02 C ATOM 2333 CD GLN A 148 3.666 4.311 -0.407 1.00 0.02 C ATOM 2334 OE1 GLN A 148 3.577 3.408 -1.216 1.00 0.02 O ATOM 2335 NE2 GLN A 148 3.302 4.115 0.830 1.00 0.01 N ATOM 0 H GLN A 148 3.693 8.150 -2.078 1.00 0.01 H new ATOM 0 HA GLN A 148 6.392 6.846 -2.394 1.00 0.01 H new ATOM 0 HB2 GLN A 148 3.668 5.578 -2.916 1.00 0.00 H new ATOM 0 HB3 GLN A 148 5.178 4.776 -2.528 1.00 0.00 H new ATOM 0 HG2 GLN A 148 5.078 5.937 -0.228 1.00 0.02 H new ATOM 0 HG3 GLN A 148 3.453 6.449 -0.639 1.00 0.02 H new ATOM 0 HE21 GLN A 148 3.376 4.872 1.510 1.00 0.01 H new ATOM 0 HE22 GLN A 148 2.943 3.205 1.118 1.00 0.01 H new ATOM 2344 N TYR A 149 6.200 6.690 -4.928 1.00 0.01 N ATOM 2345 CA TYR A 149 6.184 6.865 -6.418 1.00 0.01 C ATOM 2346 C TYR A 149 6.276 5.490 -7.087 1.00 0.01 C ATOM 2347 O TYR A 149 7.063 4.658 -6.680 1.00 0.01 O ATOM 2348 CB TYR A 149 7.375 7.726 -6.850 1.00 0.01 C ATOM 2349 CG TYR A 149 7.270 9.092 -6.212 1.00 0.01 C ATOM 2350 CD1 TYR A 149 6.443 10.068 -6.780 1.00 0.01 C ATOM 2351 CD2 TYR A 149 8.002 9.383 -5.054 1.00 0.01 C ATOM 2352 CE1 TYR A 149 6.347 11.334 -6.191 1.00 0.01 C ATOM 2353 CE2 TYR A 149 7.906 10.650 -4.465 1.00 0.01 C ATOM 2354 CZ TYR A 149 7.079 11.625 -5.034 1.00 0.01 C ATOM 2355 OH TYR A 149 6.983 12.874 -4.456 1.00 0.01 O ATOM 0 H TYR A 149 7.003 6.174 -4.569 1.00 0.01 H new ATOM 0 HA TYR A 149 5.259 7.358 -6.717 1.00 0.01 H new ATOM 0 HB2 TYR A 149 8.309 7.247 -6.556 1.00 0.01 H new ATOM 0 HB3 TYR A 149 7.393 7.821 -7.936 1.00 0.01 H new ATOM 0 HD1 TYR A 149 5.879 9.844 -7.673 1.00 0.01 H new ATOM 0 HD2 TYR A 149 8.640 8.630 -4.615 1.00 0.01 H new ATOM 0 HE1 TYR A 149 5.708 12.086 -6.629 1.00 0.01 H new ATOM 0 HE2 TYR A 149 8.470 10.875 -3.572 1.00 0.01 H new ATOM 0 HH TYR A 149 7.553 12.911 -3.660 1.00 0.01 H new ATOM 2365 N LEU A 150 5.480 5.220 -8.093 1.00 0.01 N ATOM 2366 CA LEU A 150 5.537 3.876 -8.751 1.00 0.01 C ATOM 2367 C LEU A 150 6.425 3.960 -9.995 1.00 0.01 C ATOM 2368 O LEU A 150 6.150 4.704 -10.916 1.00 0.01 O ATOM 2369 CB LEU A 150 4.110 3.483 -9.156 1.00 0.01 C ATOM 2370 CG LEU A 150 4.067 2.005 -9.599 1.00 0.01 C ATOM 2371 CD1 LEU A 150 3.892 1.092 -8.379 1.00 0.01 C ATOM 2372 CD2 LEU A 150 2.886 1.786 -10.552 1.00 0.01 C ATOM 0 H LEU A 150 4.797 5.868 -8.486 1.00 0.01 H new ATOM 0 HA LEU A 150 5.951 3.132 -8.070 1.00 0.01 H new ATOM 0 HB2 LEU A 150 3.431 3.638 -8.318 1.00 0.01 H new ATOM 0 HB3 LEU A 150 3.766 4.123 -9.968 1.00 0.01 H new ATOM 0 HG LEU A 150 5.003 1.765 -10.103 1.00 0.01 H new ATOM 0 HD11 LEU A 150 3.863 0.052 -8.704 1.00 0.01 H new ATOM 0 HD12 LEU A 150 4.728 1.235 -7.695 1.00 0.01 H new ATOM 0 HD13 LEU A 150 2.960 1.339 -7.870 1.00 0.01 H new ATOM 0 HD21 LEU A 150 2.858 0.742 -10.863 1.00 0.01 H new ATOM 0 HD22 LEU A 150 1.956 2.038 -10.043 1.00 0.01 H new ATOM 0 HD23 LEU A 150 3.003 2.423 -11.429 1.00 0.01 H new ATOM 2384 N LEU A 151 7.486 3.191 -10.033 1.00 0.01 N ATOM 2385 CA LEU A 151 8.396 3.210 -11.221 1.00 0.01 C ATOM 2386 C LEU A 151 8.059 2.026 -12.131 1.00 0.01 C ATOM 2387 O LEU A 151 7.563 1.011 -11.679 1.00 0.01 O ATOM 2388 CB LEU A 151 9.849 3.100 -10.745 1.00 0.01 C ATOM 2389 CG LEU A 151 10.814 3.154 -11.942 1.00 0.01 C ATOM 2390 CD1 LEU A 151 10.674 4.494 -12.685 1.00 0.01 C ATOM 2391 CD2 LEU A 151 12.250 2.995 -11.429 1.00 0.01 C ATOM 0 H LEU A 151 7.762 2.549 -9.290 1.00 0.01 H new ATOM 0 HA LEU A 151 8.266 4.140 -11.774 1.00 0.01 H new ATOM 0 HB2 LEU A 151 10.073 3.911 -10.053 1.00 0.01 H new ATOM 0 HB3 LEU A 151 9.989 2.167 -10.199 1.00 0.01 H new ATOM 0 HG LEU A 151 10.574 2.348 -12.635 1.00 0.01 H new ATOM 0 HD11 LEU A 151 11.364 4.516 -13.529 1.00 0.01 H new ATOM 0 HD12 LEU A 151 9.652 4.604 -13.048 1.00 0.01 H new ATOM 0 HD13 LEU A 151 10.907 5.313 -12.005 1.00 0.01 H new ATOM 0 HD21 LEU A 151 12.943 3.032 -12.270 1.00 0.01 H new ATOM 0 HD22 LEU A 151 12.480 3.803 -10.734 1.00 0.01 H new ATOM 0 HD23 LEU A 151 12.350 2.037 -10.918 1.00 0.01 H new ATOM 2403 N ASP A 152 8.332 2.145 -13.407 1.00 0.01 N ATOM 2404 CA ASP A 152 8.034 1.030 -14.361 1.00 0.01 C ATOM 2405 C ASP A 152 9.338 0.318 -14.732 1.00 0.00 C ATOM 2406 O ASP A 152 9.961 -0.319 -13.906 1.00 0.01 O ATOM 2407 CB ASP A 152 7.393 1.606 -15.626 1.00 1.04 C ATOM 2408 CG ASP A 152 7.106 0.472 -16.613 1.00 1.54 C ATOM 2409 OD1 ASP A 152 6.588 -0.543 -16.180 1.00 1.57 O ATOM 2410 OD2 ASP A 152 7.410 0.639 -17.782 1.00 2.27 O ATOM 0 H ASP A 152 8.751 2.972 -13.832 1.00 0.01 H new ATOM 0 HA ASP A 152 7.351 0.321 -13.894 1.00 0.01 H new ATOM 0 HB2 ASP A 152 6.469 2.126 -15.374 1.00 1.04 H new ATOM 0 HB3 ASP A 152 8.058 2.340 -16.082 1.00 1.04 H new ATOM 2415 N LYS A 153 9.755 0.412 -15.965 1.00 0.01 N ATOM 2416 CA LYS A 153 11.016 -0.270 -16.374 1.00 0.01 C ATOM 2417 C LYS A 153 11.515 0.311 -17.699 1.00 0.01 C ATOM 2418 O LYS A 153 11.812 -0.412 -18.627 1.00 0.01 O ATOM 2419 CB LYS A 153 10.752 -1.767 -16.544 1.00 0.38 C ATOM 2420 CG LYS A 153 9.498 -1.969 -17.400 1.00 0.71 C ATOM 2421 CD LYS A 153 9.436 -3.417 -17.892 1.00 0.72 C ATOM 2422 CE LYS A 153 8.258 -3.581 -18.853 1.00 1.09 C ATOM 2423 NZ LYS A 153 6.990 -3.234 -18.150 1.00 1.84 N ATOM 0 H LYS A 153 9.279 0.929 -16.704 1.00 0.01 H new ATOM 0 HA LYS A 153 11.773 -0.115 -15.606 1.00 0.01 H new ATOM 0 HB2 LYS A 153 11.609 -2.247 -17.016 1.00 0.38 H new ATOM 0 HB3 LYS A 153 10.620 -2.237 -15.569 1.00 0.38 H new ATOM 0 HG2 LYS A 153 8.607 -1.734 -16.818 1.00 0.71 H new ATOM 0 HG3 LYS A 153 9.512 -1.286 -18.250 1.00 0.71 H new ATOM 0 HD2 LYS A 153 10.367 -3.682 -18.393 1.00 0.72 H new ATOM 0 HD3 LYS A 153 9.325 -4.095 -17.046 1.00 0.72 H new ATOM 0 HE2 LYS A 153 8.392 -2.937 -19.722 1.00 1.09 H new ATOM 0 HE3 LYS A 153 8.214 -4.607 -19.219 1.00 1.09 H new ATOM 0 HZ1 LYS A 153 6.257 -3.931 -18.392 1.00 1.84 H new ATOM 0 HZ2 LYS A 153 7.149 -3.242 -17.122 1.00 1.84 H new ATOM 0 HZ3 LYS A 153 6.678 -2.287 -18.444 1.00 1.84 H new ATOM 2437 N LYS A 154 11.613 1.615 -17.789 1.00 0.00 N ATOM 2438 CA LYS A 154 12.097 2.264 -19.051 1.00 0.01 C ATOM 2439 C LYS A 154 13.452 2.928 -18.789 1.00 0.01 C ATOM 2440 O LYS A 154 14.172 2.551 -17.888 1.00 0.00 O ATOM 2441 CB LYS A 154 11.093 3.331 -19.489 1.00 0.39 C ATOM 2442 CG LYS A 154 9.689 2.726 -19.530 1.00 0.48 C ATOM 2443 CD LYS A 154 8.711 3.744 -20.122 1.00 0.97 C ATOM 2444 CE LYS A 154 7.279 3.244 -19.935 1.00 1.44 C ATOM 2445 NZ LYS A 154 6.880 3.404 -18.507 1.00 2.28 N ATOM 0 H LYS A 154 11.377 2.263 -17.038 1.00 0.00 H new ATOM 0 HA LYS A 154 12.199 1.512 -19.833 1.00 0.01 H new ATOM 0 HB2 LYS A 154 11.117 4.173 -18.798 1.00 0.39 H new ATOM 0 HB3 LYS A 154 11.363 3.717 -20.472 1.00 0.39 H new ATOM 0 HG2 LYS A 154 9.691 1.816 -20.130 1.00 0.48 H new ATOM 0 HG3 LYS A 154 9.373 2.444 -18.525 1.00 0.48 H new ATOM 0 HD2 LYS A 154 8.836 4.711 -19.634 1.00 0.97 H new ATOM 0 HD3 LYS A 154 8.920 3.892 -21.181 1.00 0.97 H new ATOM 0 HE2 LYS A 154 6.600 3.803 -20.578 1.00 1.44 H new ATOM 0 HE3 LYS A 154 7.207 2.197 -20.229 1.00 1.44 H new ATOM 0 HZ1 LYS A 154 6.854 2.472 -18.047 1.00 2.28 H new ATOM 0 HZ2 LYS A 154 7.570 4.011 -18.020 1.00 2.28 H new ATOM 0 HZ3 LYS A 154 5.938 3.841 -18.457 1.00 2.28 H new ATOM 2459 N GLU A 155 13.795 3.920 -19.573 1.00 0.01 N ATOM 2460 CA GLU A 155 15.098 4.632 -19.386 1.00 0.01 C ATOM 2461 C GLU A 155 14.825 6.008 -18.771 1.00 0.01 C ATOM 2462 O GLU A 155 14.374 6.918 -19.437 1.00 0.01 O ATOM 2463 CB GLU A 155 15.784 4.798 -20.749 1.00 0.01 C ATOM 2464 CG GLU A 155 14.728 5.057 -21.827 1.00 0.01 C ATOM 2465 CD GLU A 155 15.406 5.571 -23.096 1.00 0.01 C ATOM 2466 OE1 GLU A 155 15.623 6.768 -23.185 1.00 0.01 O ATOM 2467 OE2 GLU A 155 15.699 4.759 -23.958 1.00 0.01 O ATOM 0 H GLU A 155 13.223 4.270 -20.341 1.00 0.01 H new ATOM 0 HA GLU A 155 15.748 4.059 -18.725 1.00 0.01 H new ATOM 0 HB2 GLU A 155 16.492 5.626 -20.713 1.00 0.01 H new ATOM 0 HB3 GLU A 155 16.354 3.901 -20.992 1.00 0.01 H new ATOM 0 HG2 GLU A 155 14.180 4.139 -22.042 1.00 0.01 H new ATOM 0 HG3 GLU A 155 14.001 5.786 -21.470 1.00 0.01 H new ATOM 2474 N TYR A 156 15.084 6.162 -17.497 1.00 0.00 N ATOM 2475 CA TYR A 156 14.830 7.472 -16.823 1.00 0.01 C ATOM 2476 C TYR A 156 16.134 8.266 -16.729 1.00 0.01 C ATOM 2477 O TYR A 156 17.060 7.874 -16.046 1.00 0.01 O ATOM 2478 CB TYR A 156 14.265 7.204 -15.429 1.00 0.01 C ATOM 2479 CG TYR A 156 13.195 6.143 -15.528 1.00 0.00 C ATOM 2480 CD1 TYR A 156 11.870 6.508 -15.794 1.00 0.01 C ATOM 2481 CD2 TYR A 156 13.529 4.795 -15.359 1.00 0.01 C ATOM 2482 CE1 TYR A 156 10.879 5.523 -15.891 1.00 0.01 C ATOM 2483 CE2 TYR A 156 12.539 3.810 -15.456 1.00 0.01 C ATOM 2484 CZ TYR A 156 11.214 4.175 -15.721 1.00 0.01 C ATOM 2485 OH TYR A 156 10.237 3.205 -15.818 1.00 0.01 O ATOM 0 H TYR A 156 15.462 5.433 -16.892 1.00 0.00 H new ATOM 0 HA TYR A 156 14.113 8.058 -17.398 1.00 0.01 H new ATOM 0 HB2 TYR A 156 15.059 6.877 -14.758 1.00 0.01 H new ATOM 0 HB3 TYR A 156 13.849 8.120 -15.009 1.00 0.01 H new ATOM 0 HD1 TYR A 156 11.612 7.549 -15.924 1.00 0.01 H new ATOM 0 HD2 TYR A 156 14.551 4.514 -15.154 1.00 0.01 H new ATOM 0 HE1 TYR A 156 9.857 5.804 -16.097 1.00 0.01 H new ATOM 0 HE2 TYR A 156 12.797 2.769 -15.326 1.00 0.01 H new ATOM 0 HH TYR A 156 9.693 3.367 -16.617 1.00 0.01 H new ATOM 2495 N ARG A 157 16.232 9.358 -17.442 1.00 0.01 N ATOM 2496 CA ARG A 157 17.498 10.155 -17.431 1.00 0.01 C ATOM 2497 C ARG A 157 17.437 11.300 -16.416 1.00 0.00 C ATOM 2498 O ARG A 157 18.463 11.767 -15.959 1.00 0.01 O ATOM 2499 CB ARG A 157 17.725 10.744 -18.826 1.00 0.01 C ATOM 2500 CG ARG A 157 17.538 9.650 -19.879 1.00 0.01 C ATOM 2501 CD ARG A 157 17.987 10.173 -21.245 1.00 0.00 C ATOM 2502 NE ARG A 157 17.559 11.592 -21.401 1.00 0.01 N ATOM 2503 CZ ARG A 157 18.076 12.330 -22.344 1.00 0.01 C ATOM 2504 NH1 ARG A 157 18.968 11.826 -23.151 1.00 0.01 N ATOM 2505 NH2 ARG A 157 17.701 13.574 -22.481 1.00 0.01 N ATOM 0 H ARG A 157 15.490 9.734 -18.032 1.00 0.01 H new ATOM 0 HA ARG A 157 18.315 9.491 -17.148 1.00 0.01 H new ATOM 0 HB2 ARG A 157 17.025 11.560 -19.006 1.00 0.01 H new ATOM 0 HB3 ARG A 157 18.729 11.163 -18.896 1.00 0.01 H new ATOM 0 HG2 ARG A 157 18.117 8.767 -19.608 1.00 0.01 H new ATOM 0 HG3 ARG A 157 16.492 9.345 -19.920 1.00 0.01 H new ATOM 0 HD2 ARG A 157 19.070 10.097 -21.337 1.00 0.00 H new ATOM 0 HD3 ARG A 157 17.556 9.563 -22.039 1.00 0.00 H new ATOM 0 HE ARG A 157 16.861 11.986 -20.770 1.00 0.01 H new ATOM 0 HH11 ARG A 157 19.261 10.855 -23.045 1.00 0.01 H new ATOM 0 HH12 ARG A 157 19.372 12.403 -23.889 1.00 0.01 H new ATOM 0 HH21 ARG A 157 17.003 13.969 -21.850 1.00 0.01 H new ATOM 0 HH22 ARG A 157 18.106 14.150 -23.219 1.00 0.01 H new ATOM 2519 N LYS A 158 16.263 11.753 -16.038 1.00 0.01 N ATOM 2520 CA LYS A 158 16.157 12.866 -15.033 1.00 0.01 C ATOM 2521 C LYS A 158 15.217 12.420 -13.897 1.00 0.01 C ATOM 2522 O LYS A 158 14.347 11.605 -14.113 1.00 0.01 O ATOM 2523 CB LYS A 158 15.568 14.103 -15.734 1.00 0.58 C ATOM 2524 CG LYS A 158 16.676 14.850 -16.482 1.00 0.97 C ATOM 2525 CD LYS A 158 16.087 16.087 -17.164 1.00 1.44 C ATOM 2526 CE LYS A 158 17.217 16.926 -17.763 1.00 2.13 C ATOM 2527 NZ LYS A 158 16.640 18.030 -18.580 1.00 2.54 N ATOM 0 H LYS A 158 15.370 11.400 -16.382 1.00 0.01 H new ATOM 0 HA LYS A 158 17.138 13.106 -14.622 1.00 0.01 H new ATOM 0 HB2 LYS A 158 14.786 13.800 -16.431 1.00 0.58 H new ATOM 0 HB3 LYS A 158 15.103 14.762 -15.000 1.00 0.58 H new ATOM 0 HG2 LYS A 158 17.463 15.144 -15.788 1.00 0.97 H new ATOM 0 HG3 LYS A 158 17.134 14.196 -17.224 1.00 0.97 H new ATOM 0 HD2 LYS A 158 15.389 15.787 -17.946 1.00 1.44 H new ATOM 0 HD3 LYS A 158 15.523 16.679 -16.443 1.00 1.44 H new ATOM 0 HE2 LYS A 158 17.840 17.336 -16.968 1.00 2.13 H new ATOM 0 HE3 LYS A 158 17.860 16.300 -18.382 1.00 2.13 H new ATOM 0 HZ1 LYS A 158 17.409 18.600 -18.987 1.00 2.54 H new ATOM 0 HZ2 LYS A 158 16.063 17.629 -19.347 1.00 2.54 H new ATOM 0 HZ3 LYS A 158 16.044 18.633 -17.977 1.00 2.54 H new ATOM 2541 N PRO A 159 15.350 12.960 -12.702 1.00 0.01 N ATOM 2542 CA PRO A 159 14.430 12.572 -11.592 1.00 0.02 C ATOM 2543 C PRO A 159 12.972 12.884 -11.963 1.00 0.01 C ATOM 2544 O PRO A 159 12.072 12.136 -11.635 1.00 0.01 O ATOM 2545 CB PRO A 159 14.929 13.445 -10.420 1.00 0.41 C ATOM 2546 CG PRO A 159 15.980 14.433 -10.967 1.00 0.70 C ATOM 2547 CD PRO A 159 16.396 13.967 -12.371 1.00 0.28 C ATOM 0 HA PRO A 159 14.440 11.507 -11.358 1.00 0.02 H new ATOM 0 HB2 PRO A 159 14.098 13.986 -9.969 1.00 0.41 H new ATOM 0 HB3 PRO A 159 15.364 12.821 -9.640 1.00 0.41 H new ATOM 0 HG2 PRO A 159 15.568 15.441 -11.008 1.00 0.70 H new ATOM 0 HG3 PRO A 159 16.847 14.470 -10.307 1.00 0.70 H new ATOM 0 HD2 PRO A 159 16.406 14.791 -13.085 1.00 0.28 H new ATOM 0 HD3 PRO A 159 17.395 13.530 -12.374 1.00 0.28 H new ATOM 2555 N VAL A 160 12.725 13.973 -12.633 1.00 0.01 N ATOM 2556 CA VAL A 160 11.321 14.309 -13.007 1.00 0.02 C ATOM 2557 C VAL A 160 10.760 13.202 -13.902 1.00 0.02 C ATOM 2558 O VAL A 160 9.562 13.056 -14.041 1.00 0.02 O ATOM 2559 CB VAL A 160 11.303 15.638 -13.764 1.00 0.14 C ATOM 2560 CG1 VAL A 160 9.860 16.006 -14.119 1.00 0.86 C ATOM 2561 CG2 VAL A 160 11.908 16.733 -12.884 1.00 0.74 C ATOM 0 H VAL A 160 13.430 14.644 -12.938 1.00 0.01 H new ATOM 0 HA VAL A 160 10.711 14.396 -12.108 1.00 0.02 H new ATOM 0 HB VAL A 160 11.887 15.543 -14.679 1.00 0.14 H new ATOM 0 HG11 VAL A 160 9.848 16.953 -14.658 1.00 0.86 H new ATOM 0 HG12 VAL A 160 9.429 15.226 -14.747 1.00 0.86 H new ATOM 0 HG13 VAL A 160 9.274 16.102 -13.205 1.00 0.86 H new ATOM 0 HG21 VAL A 160 11.896 17.681 -13.422 1.00 0.74 H new ATOM 0 HG22 VAL A 160 11.324 16.828 -11.969 1.00 0.74 H new ATOM 0 HG23 VAL A 160 12.936 16.472 -12.633 1.00 0.74 H new ATOM 2571 N ASP A 161 11.605 12.422 -14.511 1.00 0.00 N ATOM 2572 CA ASP A 161 11.088 11.338 -15.390 1.00 0.01 C ATOM 2573 C ASP A 161 10.324 10.304 -14.553 1.00 0.01 C ATOM 2574 O ASP A 161 9.571 9.506 -15.077 1.00 0.01 O ATOM 2575 CB ASP A 161 12.255 10.654 -16.102 1.00 0.00 C ATOM 2576 CG ASP A 161 13.009 11.679 -16.948 1.00 0.02 C ATOM 2577 OD1 ASP A 161 12.689 12.852 -16.848 1.00 0.00 O ATOM 2578 OD2 ASP A 161 13.896 11.273 -17.681 1.00 0.00 O ATOM 0 H ASP A 161 12.621 12.485 -14.441 1.00 0.00 H new ATOM 0 HA ASP A 161 10.413 11.771 -16.128 1.00 0.01 H new ATOM 0 HB2 ASP A 161 12.928 10.205 -15.371 1.00 0.00 H new ATOM 0 HB3 ASP A 161 11.886 9.846 -16.734 1.00 0.00 H new ATOM 2583 N TRP A 162 10.494 10.323 -13.250 1.00 0.01 N ATOM 2584 CA TRP A 162 9.754 9.353 -12.380 1.00 0.01 C ATOM 2585 C TRP A 162 8.514 10.045 -11.804 1.00 0.01 C ATOM 2586 O TRP A 162 7.853 9.515 -10.933 1.00 0.01 O ATOM 2587 CB TRP A 162 10.630 8.892 -11.208 1.00 0.01 C ATOM 2588 CG TRP A 162 11.913 8.305 -11.707 1.00 0.02 C ATOM 2589 CD1 TRP A 162 12.030 7.425 -12.730 1.00 0.01 C ATOM 2590 CD2 TRP A 162 13.265 8.533 -11.209 1.00 0.01 C ATOM 2591 NE1 TRP A 162 13.366 7.104 -12.891 1.00 0.01 N ATOM 2592 CE2 TRP A 162 14.165 7.761 -11.980 1.00 0.01 C ATOM 2593 CE3 TRP A 162 13.792 9.329 -10.175 1.00 0.01 C ATOM 2594 CZ2 TRP A 162 15.539 7.777 -11.735 1.00 0.01 C ATOM 2595 CZ3 TRP A 162 15.173 9.347 -9.926 1.00 0.01 C ATOM 2596 CH2 TRP A 162 16.045 8.574 -10.704 1.00 0.01 C ATOM 0 H TRP A 162 11.111 10.966 -12.754 1.00 0.01 H new ATOM 0 HA TRP A 162 9.477 8.489 -12.985 1.00 0.01 H new ATOM 0 HB2 TRP A 162 10.841 9.736 -10.551 1.00 0.01 H new ATOM 0 HB3 TRP A 162 10.092 8.153 -10.614 1.00 0.01 H new ATOM 0 HD1 TRP A 162 11.214 7.038 -13.323 1.00 0.01 H new ATOM 0 HE1 TRP A 162 13.717 6.459 -13.599 1.00 0.01 H new ATOM 0 HE3 TRP A 162 13.130 9.930 -9.569 1.00 0.01 H new ATOM 0 HZ2 TRP A 162 16.206 7.178 -12.337 1.00 0.01 H new ATOM 0 HZ3 TRP A 162 15.566 9.961 -9.129 1.00 0.01 H new ATOM 0 HH2 TRP A 162 17.107 8.594 -10.507 1.00 0.01 H new ATOM 2607 N GLY A 163 8.168 11.201 -12.298 1.00 0.02 N ATOM 2608 CA GLY A 163 6.945 11.889 -11.793 1.00 0.01 C ATOM 2609 C GLY A 163 7.228 12.617 -10.476 1.00 0.01 C ATOM 2610 O GLY A 163 6.322 13.059 -9.796 1.00 0.01 O ATOM 0 H GLY A 163 8.677 11.699 -13.028 1.00 0.02 H new ATOM 0 HA2 GLY A 163 6.591 12.602 -12.538 1.00 0.01 H new ATOM 0 HA3 GLY A 163 6.148 11.160 -11.646 1.00 0.01 H new ATOM 2614 N ALA A 164 8.474 12.728 -10.096 1.00 0.01 N ATOM 2615 CA ALA A 164 8.816 13.407 -8.807 1.00 0.02 C ATOM 2616 C ALA A 164 9.260 14.846 -9.072 1.00 0.01 C ATOM 2617 O ALA A 164 9.956 15.134 -10.025 1.00 0.02 O ATOM 2618 CB ALA A 164 9.983 12.661 -8.156 1.00 0.01 C ATOM 0 H ALA A 164 9.273 12.377 -10.623 1.00 0.01 H new ATOM 0 HA ALA A 164 7.939 13.407 -8.159 1.00 0.02 H new ATOM 0 HB1 ALA A 164 10.244 13.145 -7.215 1.00 0.01 H new ATOM 0 HB2 ALA A 164 9.693 11.628 -7.965 1.00 0.01 H new ATOM 0 HB3 ALA A 164 10.844 12.679 -8.824 1.00 0.01 H new ATOM 2624 N ALA A 165 8.857 15.750 -8.222 1.00 0.02 N ATOM 2625 CA ALA A 165 9.240 17.179 -8.393 1.00 0.01 C ATOM 2626 C ALA A 165 10.609 17.433 -7.759 1.00 0.02 C ATOM 2627 O ALA A 165 11.190 18.486 -7.931 1.00 0.01 O ATOM 2628 CB ALA A 165 8.206 18.079 -7.717 1.00 0.59 C ATOM 0 H ALA A 165 8.273 15.557 -7.408 1.00 0.02 H new ATOM 0 HA ALA A 165 9.283 17.404 -9.459 1.00 0.01 H new ATOM 0 HB1 ALA A 165 8.492 19.123 -7.846 1.00 0.59 H new ATOM 0 HB2 ALA A 165 7.228 17.913 -8.169 1.00 0.59 H new ATOM 0 HB3 ALA A 165 8.159 17.844 -6.654 1.00 0.59 H new ATOM 2634 N SER A 166 11.140 16.478 -7.032 1.00 0.01 N ATOM 2635 CA SER A 166 12.483 16.666 -6.395 1.00 0.01 C ATOM 2636 C SER A 166 13.247 15.325 -6.426 1.00 0.02 C ATOM 2637 O SER A 166 12.633 14.278 -6.385 1.00 0.01 O ATOM 2638 CB SER A 166 12.295 17.107 -4.943 1.00 0.72 C ATOM 2639 OG SER A 166 11.826 18.449 -4.919 1.00 0.87 O ATOM 0 H SER A 166 10.701 15.575 -6.852 1.00 0.01 H new ATOM 0 HA SER A 166 13.047 17.425 -6.937 1.00 0.01 H new ATOM 0 HB2 SER A 166 11.584 16.452 -4.441 1.00 0.72 H new ATOM 0 HB3 SER A 166 13.238 17.029 -4.402 1.00 0.72 H new ATOM 0 HG SER A 166 11.702 18.736 -3.990 1.00 0.87 H new ATOM 2645 N PRO A 167 14.567 15.333 -6.479 1.00 0.02 N ATOM 2646 CA PRO A 167 15.339 14.052 -6.491 1.00 0.01 C ATOM 2647 C PRO A 167 15.402 13.393 -5.104 1.00 0.01 C ATOM 2648 O PRO A 167 16.263 12.570 -4.842 1.00 0.01 O ATOM 2649 CB PRO A 167 16.734 14.535 -6.918 1.00 0.38 C ATOM 2650 CG PRO A 167 16.824 16.025 -6.565 1.00 0.35 C ATOM 2651 CD PRO A 167 15.391 16.581 -6.539 1.00 0.22 C ATOM 0 HA PRO A 167 14.897 13.294 -7.137 1.00 0.01 H new ATOM 0 HB2 PRO A 167 17.511 13.970 -6.404 1.00 0.38 H new ATOM 0 HB3 PRO A 167 16.884 14.383 -7.987 1.00 0.38 H new ATOM 0 HG2 PRO A 167 17.306 16.161 -5.597 1.00 0.35 H new ATOM 0 HG3 PRO A 167 17.429 16.557 -7.299 1.00 0.35 H new ATOM 0 HD2 PRO A 167 15.220 17.224 -5.675 1.00 0.22 H new ATOM 0 HD3 PRO A 167 15.168 17.173 -7.426 1.00 0.22 H new ATOM 2659 N ALA A 168 14.534 13.771 -4.198 1.00 0.01 N ATOM 2660 CA ALA A 168 14.605 13.181 -2.829 1.00 0.01 C ATOM 2661 C ALA A 168 13.896 11.826 -2.763 1.00 0.01 C ATOM 2662 O ALA A 168 12.725 11.692 -3.061 1.00 0.02 O ATOM 2663 CB ALA A 168 13.938 14.133 -1.835 1.00 0.18 C ATOM 0 H ALA A 168 13.790 14.453 -4.345 1.00 0.01 H new ATOM 0 HA ALA A 168 15.656 13.034 -2.580 1.00 0.01 H new ATOM 0 HB1 ALA A 168 13.987 13.706 -0.833 1.00 0.18 H new ATOM 0 HB2 ALA A 168 14.455 15.092 -1.847 1.00 0.18 H new ATOM 0 HB3 ALA A 168 12.895 14.280 -2.116 1.00 0.18 H new ATOM 2669 N ILE A 169 14.627 10.830 -2.345 1.00 0.01 N ATOM 2670 CA ILE A 169 14.074 9.451 -2.209 1.00 0.01 C ATOM 2671 C ILE A 169 14.831 8.774 -1.062 1.00 0.01 C ATOM 2672 O ILE A 169 16.046 8.780 -1.038 1.00 0.01 O ATOM 2673 CB ILE A 169 14.284 8.681 -3.530 1.00 1.81 C ATOM 2674 CG1 ILE A 169 14.213 9.653 -4.721 1.00 2.75 C ATOM 2675 CG2 ILE A 169 13.197 7.617 -3.679 1.00 2.24 C ATOM 2676 CD1 ILE A 169 14.403 8.886 -6.034 1.00 3.99 C ATOM 0 H ILE A 169 15.610 10.916 -2.085 1.00 0.01 H new ATOM 0 HA ILE A 169 13.005 9.469 -1.997 1.00 0.01 H new ATOM 0 HB ILE A 169 15.264 8.204 -3.513 1.00 1.81 H new ATOM 0 HG12 ILE A 169 13.251 10.166 -4.726 1.00 2.75 H new ATOM 0 HG13 ILE A 169 14.982 10.419 -4.623 1.00 2.75 H new ATOM 0 HG21 ILE A 169 13.345 7.073 -4.612 1.00 2.24 H new ATOM 0 HG22 ILE A 169 13.251 6.922 -2.841 1.00 2.24 H new ATOM 0 HG23 ILE A 169 12.218 8.096 -3.690 1.00 2.24 H new ATOM 0 HD11 ILE A 169 14.351 9.581 -6.872 1.00 3.99 H new ATOM 0 HD12 ILE A 169 15.375 8.394 -6.030 1.00 3.99 H new ATOM 0 HD13 ILE A 169 13.617 8.137 -6.135 1.00 3.99 H new ATOM 2688 N GLN A 170 14.132 8.231 -0.085 1.00 0.01 N ATOM 2689 CA GLN A 170 14.822 7.602 1.090 1.00 0.01 C ATOM 2690 C GLN A 170 14.662 6.075 1.141 1.00 0.02 C ATOM 2691 O GLN A 170 15.427 5.422 1.821 1.00 0.01 O ATOM 2692 CB GLN A 170 14.251 8.199 2.379 1.00 2.62 C ATOM 2693 CG GLN A 170 14.539 9.701 2.415 1.00 3.39 C ATOM 2694 CD GLN A 170 16.033 9.929 2.657 1.00 4.36 C ATOM 2695 OE1 GLN A 170 16.656 10.722 1.980 1.00 4.83 O ATOM 2696 NE2 GLN A 170 16.637 9.263 3.603 1.00 5.17 N ATOM 0 H GLN A 170 13.113 8.198 -0.053 1.00 0.01 H new ATOM 0 HA GLN A 170 15.886 7.812 0.985 1.00 0.01 H new ATOM 0 HB2 GLN A 170 13.177 8.022 2.430 1.00 2.62 H new ATOM 0 HB3 GLN A 170 14.696 7.711 3.247 1.00 2.62 H new ATOM 0 HG2 GLN A 170 14.238 10.162 1.475 1.00 3.39 H new ATOM 0 HG3 GLN A 170 13.955 10.175 3.204 1.00 3.39 H new ATOM 0 HE21 GLN A 170 16.114 8.597 4.172 1.00 5.17 H new ATOM 0 HE22 GLN A 170 17.632 9.408 3.774 1.00 5.17 H new ATOM 2705 N SER A 171 13.720 5.459 0.465 1.00 0.01 N ATOM 2706 CA SER A 171 13.636 3.962 0.574 1.00 0.01 C ATOM 2707 C SER A 171 12.925 3.377 -0.649 1.00 0.01 C ATOM 2708 O SER A 171 12.196 4.055 -1.346 1.00 0.01 O ATOM 2709 CB SER A 171 12.859 3.586 1.835 1.00 0.01 C ATOM 2710 OG SER A 171 13.293 4.407 2.909 1.00 0.02 O ATOM 0 H SER A 171 13.028 5.905 -0.137 1.00 0.01 H new ATOM 0 HA SER A 171 14.647 3.557 0.625 1.00 0.01 H new ATOM 0 HB2 SER A 171 11.789 3.716 1.671 1.00 0.01 H new ATOM 0 HB3 SER A 171 13.019 2.535 2.076 1.00 0.01 H new ATOM 0 HG SER A 171 14.023 3.961 3.387 1.00 0.02 H new ATOM 2716 N PHE A 172 13.116 2.104 -0.905 1.00 0.01 N ATOM 2717 CA PHE A 172 12.435 1.465 -2.072 1.00 0.01 C ATOM 2718 C PHE A 172 12.209 -0.025 -1.805 1.00 0.01 C ATOM 2719 O PHE A 172 12.923 -0.650 -1.039 1.00 0.01 O ATOM 2720 CB PHE A 172 13.273 1.650 -3.343 1.00 1.06 C ATOM 2721 CG PHE A 172 14.544 0.831 -3.273 1.00 0.75 C ATOM 2722 CD1 PHE A 172 14.508 -0.550 -3.513 1.00 0.75 C ATOM 2723 CD2 PHE A 172 15.763 1.456 -2.983 1.00 1.29 C ATOM 2724 CE1 PHE A 172 15.690 -1.301 -3.459 1.00 1.16 C ATOM 2725 CE2 PHE A 172 16.942 0.705 -2.934 1.00 2.02 C ATOM 2726 CZ PHE A 172 16.906 -0.674 -3.169 1.00 1.92 C ATOM 0 H PHE A 172 13.712 1.483 -0.357 1.00 0.01 H new ATOM 0 HA PHE A 172 11.468 1.947 -2.215 1.00 0.01 H new ATOM 0 HB2 PHE A 172 12.690 1.352 -4.215 1.00 1.06 H new ATOM 0 HB3 PHE A 172 13.521 2.704 -3.470 1.00 1.06 H new ATOM 0 HD1 PHE A 172 13.570 -1.035 -3.739 1.00 0.75 H new ATOM 0 HD2 PHE A 172 15.793 2.519 -2.797 1.00 1.29 H new ATOM 0 HE1 PHE A 172 15.662 -2.365 -3.642 1.00 1.16 H new ATOM 0 HE2 PHE A 172 17.882 1.190 -2.714 1.00 2.02 H new ATOM 0 HZ PHE A 172 17.816 -1.254 -3.126 1.00 1.92 H new ATOM 2736 N ARG A 173 11.200 -0.598 -2.420 1.00 0.01 N ATOM 2737 CA ARG A 173 10.899 -2.046 -2.196 1.00 0.01 C ATOM 2738 C ARG A 173 10.360 -2.678 -3.483 1.00 0.01 C ATOM 2739 O ARG A 173 9.720 -2.033 -4.297 1.00 0.01 O ATOM 2740 CB ARG A 173 9.828 -2.185 -1.111 1.00 0.01 C ATOM 2741 CG ARG A 173 10.372 -1.704 0.236 1.00 0.01 C ATOM 2742 CD ARG A 173 9.471 -2.223 1.366 1.00 0.01 C ATOM 2743 NE ARG A 173 8.061 -2.291 0.887 1.00 0.01 N ATOM 2744 CZ ARG A 173 7.176 -2.977 1.558 1.00 0.01 C ATOM 2745 NH1 ARG A 173 7.525 -3.603 2.649 1.00 0.01 N ATOM 2746 NH2 ARG A 173 5.942 -3.037 1.139 1.00 0.01 N ATOM 0 H ARG A 173 10.572 -0.123 -3.068 1.00 0.01 H new ATOM 0 HA ARG A 173 11.818 -2.548 -1.892 1.00 0.01 H new ATOM 0 HB2 ARG A 173 8.947 -1.604 -1.384 1.00 0.01 H new ATOM 0 HB3 ARG A 173 9.512 -3.225 -1.033 1.00 0.01 H new ATOM 0 HG2 ARG A 173 11.392 -2.061 0.377 1.00 0.01 H new ATOM 0 HG3 ARG A 173 10.410 -0.615 0.257 1.00 0.01 H new ATOM 0 HD2 ARG A 173 9.805 -3.210 1.688 1.00 0.01 H new ATOM 0 HD3 ARG A 173 9.541 -1.565 2.232 1.00 0.01 H new ATOM 0 HE ARG A 173 7.788 -1.801 0.035 1.00 0.01 H new ATOM 0 HH11 ARG A 173 8.490 -3.556 2.977 1.00 0.01 H new ATOM 0 HH12 ARG A 173 6.833 -4.139 3.173 1.00 0.01 H new ATOM 0 HH21 ARG A 173 5.668 -2.548 0.287 1.00 0.01 H new ATOM 0 HH22 ARG A 173 5.251 -3.573 1.664 1.00 0.01 H new ATOM 2760 N ARG A 174 10.606 -3.951 -3.652 1.00 0.01 N ATOM 2761 CA ARG A 174 10.108 -4.670 -4.861 1.00 0.01 C ATOM 2762 C ARG A 174 8.694 -5.196 -4.589 1.00 0.01 C ATOM 2763 O ARG A 174 8.382 -5.621 -3.493 1.00 0.01 O ATOM 2764 CB ARG A 174 11.031 -5.851 -5.172 1.00 0.01 C ATOM 2765 CG ARG A 174 12.489 -5.400 -5.072 1.00 0.01 C ATOM 2766 CD ARG A 174 13.408 -6.566 -5.440 1.00 0.01 C ATOM 2767 NE ARG A 174 13.274 -7.643 -4.419 1.00 0.01 N ATOM 2768 CZ ARG A 174 13.722 -8.842 -4.676 1.00 0.01 C ATOM 2769 NH1 ARG A 174 14.289 -9.094 -5.823 1.00 0.01 N ATOM 2770 NH2 ARG A 174 13.600 -9.786 -3.785 1.00 0.01 N ATOM 0 H ARG A 174 11.135 -4.528 -2.998 1.00 0.01 H new ATOM 0 HA ARG A 174 10.093 -3.986 -5.709 1.00 0.01 H new ATOM 0 HB2 ARG A 174 10.843 -6.667 -4.474 1.00 0.01 H new ATOM 0 HB3 ARG A 174 10.825 -6.233 -6.172 1.00 0.01 H new ATOM 0 HG2 ARG A 174 12.667 -4.557 -5.740 1.00 0.01 H new ATOM 0 HG3 ARG A 174 12.706 -5.056 -4.061 1.00 0.01 H new ATOM 0 HD2 ARG A 174 13.149 -6.951 -6.426 1.00 0.01 H new ATOM 0 HD3 ARG A 174 14.442 -6.226 -5.492 1.00 0.01 H new ATOM 0 HE ARG A 174 12.833 -7.444 -3.521 1.00 0.01 H new ATOM 0 HH11 ARG A 174 14.382 -8.354 -6.519 1.00 0.01 H new ATOM 0 HH12 ARG A 174 14.639 -10.031 -6.024 1.00 0.01 H new ATOM 0 HH21 ARG A 174 13.155 -9.587 -2.889 1.00 0.01 H new ATOM 0 HH22 ARG A 174 13.949 -10.723 -3.984 1.00 0.01 H new ATOM 2784 N ILE A 175 7.844 -5.189 -5.582 1.00 0.01 N ATOM 2785 CA ILE A 175 6.454 -5.712 -5.378 1.00 0.01 C ATOM 2786 C ILE A 175 6.406 -7.179 -5.811 1.00 0.00 C ATOM 2787 O ILE A 175 6.832 -7.522 -6.896 1.00 0.01 O ATOM 2788 CB ILE A 175 5.444 -4.907 -6.207 1.00 1.52 C ATOM 2789 CG1 ILE A 175 5.803 -3.416 -6.153 1.00 2.51 C ATOM 2790 CG2 ILE A 175 4.038 -5.111 -5.631 1.00 1.75 C ATOM 2791 CD1 ILE A 175 4.688 -2.587 -6.807 1.00 3.04 C ATOM 0 H ILE A 175 8.047 -4.847 -6.521 1.00 0.01 H new ATOM 0 HA ILE A 175 6.193 -5.618 -4.324 1.00 0.01 H new ATOM 0 HB ILE A 175 5.471 -5.249 -7.242 1.00 1.52 H new ATOM 0 HG12 ILE A 175 5.941 -3.103 -5.118 1.00 2.51 H new ATOM 0 HG13 ILE A 175 6.748 -3.241 -6.668 1.00 2.51 H new ATOM 0 HG21 ILE A 175 3.318 -4.540 -6.218 1.00 1.75 H new ATOM 0 HG22 ILE A 175 3.779 -6.169 -5.669 1.00 1.75 H new ATOM 0 HG23 ILE A 175 4.015 -4.769 -4.596 1.00 1.75 H new ATOM 0 HD11 ILE A 175 4.949 -1.529 -6.765 1.00 3.04 H new ATOM 0 HD12 ILE A 175 4.571 -2.891 -7.847 1.00 3.04 H new ATOM 0 HD13 ILE A 175 3.752 -2.751 -6.273 1.00 3.04 H new ATOM 2803 N VAL A 176 5.894 -8.051 -4.977 1.00 0.01 N ATOM 2804 CA VAL A 176 5.823 -9.501 -5.342 1.00 0.00 C ATOM 2805 C VAL A 176 4.458 -10.065 -4.945 1.00 0.01 C ATOM 2806 O VAL A 176 3.869 -9.662 -3.962 1.00 0.00 O ATOM 2807 CB VAL A 176 6.910 -10.270 -4.592 1.00 1.38 C ATOM 2808 CG1 VAL A 176 6.726 -10.079 -3.085 1.00 1.88 C ATOM 2809 CG2 VAL A 176 6.806 -11.758 -4.932 1.00 1.89 C ATOM 0 H VAL A 176 5.521 -7.820 -4.056 1.00 0.01 H new ATOM 0 HA VAL A 176 5.968 -9.606 -6.417 1.00 0.00 H new ATOM 0 HB VAL A 176 7.890 -9.895 -4.888 1.00 1.38 H new ATOM 0 HG11 VAL A 176 7.502 -10.628 -2.551 1.00 1.88 H new ATOM 0 HG12 VAL A 176 6.798 -9.019 -2.841 1.00 1.88 H new ATOM 0 HG13 VAL A 176 5.747 -10.454 -2.788 1.00 1.88 H new ATOM 0 HG21 VAL A 176 7.581 -12.308 -4.398 1.00 1.89 H new ATOM 0 HG22 VAL A 176 5.826 -12.131 -4.635 1.00 1.89 H new ATOM 0 HG23 VAL A 176 6.937 -11.896 -6.005 1.00 1.89 H new ATOM 2819 N GLU A 177 3.953 -11.000 -5.703 1.00 0.01 N ATOM 2820 CA GLU A 177 2.628 -11.599 -5.380 1.00 0.01 C ATOM 2821 C GLU A 177 2.646 -12.134 -3.946 1.00 0.01 C ATOM 2822 CB GLU A 177 2.336 -12.747 -6.348 1.00 2.15 C ATOM 2823 CG GLU A 177 3.544 -13.683 -6.413 1.00 3.19 C ATOM 2824 CD GLU A 177 3.206 -14.891 -7.286 1.00 4.20 C ATOM 2825 OE1 GLU A 177 2.224 -14.822 -8.006 1.00 4.77 O ATOM 2826 OE2 GLU A 177 3.933 -15.868 -7.218 1.00 4.89 O ATOM 0 H GLU A 177 4.404 -11.376 -6.537 1.00 0.01 H new ATOM 0 HA GLU A 177 1.853 -10.838 -5.475 1.00 0.01 H new ATOM 0 HB2 GLU A 177 1.454 -13.297 -6.020 1.00 2.15 H new ATOM 0 HB3 GLU A 177 2.115 -12.353 -7.340 1.00 2.15 H new ATOM 0 HG2 GLU A 177 4.405 -13.155 -6.822 1.00 3.19 H new ATOM 0 HG3 GLU A 177 3.818 -14.011 -5.410 1.00 3.19 H new TER 2833 GLU A 177