USER MOD reduce.3.24.130724 H: found=0, std=0, add=397, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 396 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 51 SER OG : rot -71:sc= -9.85! USER MOD Set 1.2: A 52 HIS : no HE2:sc= -16.5! C(o=-26!,f=-18!) USER MOD Set 2.1: A 44 SER OG : rot -80:sc= -0.0522 USER MOD Set 2.2: A 47 THR OG1 : rot -79:sc= 1.25 USER MOD Set 3.1: A 33 ASN : amide:sc= -4.71! C(o=-4.6!,f=-12!) USER MOD Set 3.2: A 36 ASN : amide:sc= 0.0865 K(o=-4.6,f=-5.2) USER MOD Set 4.1: A 11 TYR OH : rot -130:sc= -2.08! USER MOD Set 4.2: A 34 LYS NZ :NH3+ 168:sc= -0.567 (180deg=-0.895) USER MOD Single : A 1 LEU N :NH3+ -135:sc= 0.118 (180deg=-0.0203) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 156:sc= -0.0394 (180deg=-0.353) USER MOD Single : A 17 THR OG1 : rot -140:sc= -0.683 USER MOD Single : A 20 TYR OH : rot 130:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -1.3 K(o=-1.3,f=-0.3) USER MOD Single : A 29 LYS NZ :NH3+ -162:sc= -0.0143 (180deg=-0.529) USER MOD Single : A 30 THR OG1 : rot -1:sc= 0.25 USER MOD Single : A 31 TYR OH : rot 174:sc= -1.1 USER MOD Single : A 39 ASN : amide:sc= -2.86! C(o=-2.9!,f=-10!) USER MOD Single : A 45 ASN : amide:sc= -1.21 K(o=-1.2,f=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 2.023 15.765 -6.433 1.00 0.00 N ATOM 2 CA LEU A 1 2.931 15.016 -5.517 1.00 0.00 C ATOM 3 C LEU A 1 3.015 13.556 -5.966 1.00 0.00 C ATOM 4 O LEU A 1 2.453 13.172 -6.972 1.00 0.00 O ATOM 5 CB LEU A 1 2.385 15.081 -4.090 1.00 0.00 C ATOM 6 CG LEU A 1 2.770 16.419 -3.457 1.00 0.00 C ATOM 7 CD1 LEU A 1 1.784 16.759 -2.339 1.00 0.00 C ATOM 8 CD2 LEU A 1 4.182 16.318 -2.875 1.00 0.00 C ATOM 0 H1 LEU A 1 2.459 16.674 -6.687 1.00 0.00 H new ATOM 0 H2 LEU A 1 1.861 15.206 -7.295 1.00 0.00 H new ATOM 0 H3 LEU A 1 1.115 15.938 -5.957 1.00 0.00 H new ATOM 0 HA LEU A 1 3.925 15.463 -5.545 1.00 0.00 H new ATOM 0 HB2 LEU A 1 1.301 14.969 -4.099 1.00 0.00 H new ATOM 0 HB3 LEU A 1 2.786 14.258 -3.498 1.00 0.00 H new ATOM 0 HG LEU A 1 2.742 17.201 -4.216 1.00 0.00 H new ATOM 0 HD11 LEU A 1 2.059 17.713 -1.889 1.00 0.00 H new ATOM 0 HD12 LEU A 1 0.777 16.829 -2.751 1.00 0.00 H new ATOM 0 HD13 LEU A 1 1.812 15.978 -1.579 1.00 0.00 H new ATOM 0 HD21 LEU A 1 4.458 17.271 -2.423 1.00 0.00 H new ATOM 0 HD22 LEU A 1 4.208 15.536 -2.116 1.00 0.00 H new ATOM 0 HD23 LEU A 1 4.887 16.076 -3.670 1.00 0.00 H new ATOM 22 N ALA A 2 3.715 12.738 -5.227 1.00 0.00 N ATOM 23 CA ALA A 2 3.834 11.304 -5.614 1.00 0.00 C ATOM 24 C ALA A 2 3.672 10.423 -4.373 1.00 0.00 C ATOM 25 O ALA A 2 4.629 10.109 -3.694 1.00 0.00 O ATOM 26 CB ALA A 2 5.211 11.058 -6.236 1.00 0.00 C ATOM 0 H ALA A 2 4.208 13.001 -4.374 1.00 0.00 H new ATOM 0 HA ALA A 2 3.057 11.058 -6.337 1.00 0.00 H new ATOM 0 HB1 ALA A 2 5.300 10.009 -6.520 1.00 0.00 H new ATOM 0 HB2 ALA A 2 5.328 11.684 -7.120 1.00 0.00 H new ATOM 0 HB3 ALA A 2 5.987 11.305 -5.511 1.00 0.00 H new ATOM 32 N ALA A 3 2.467 10.019 -4.075 1.00 0.00 N ATOM 33 CA ALA A 3 2.243 9.157 -2.880 1.00 0.00 C ATOM 34 C ALA A 3 3.013 9.728 -1.688 1.00 0.00 C ATOM 35 O ALA A 3 3.554 10.814 -1.751 1.00 0.00 O ATOM 36 CB ALA A 3 2.737 7.739 -3.175 1.00 0.00 C ATOM 0 H ALA A 3 1.628 10.249 -4.608 1.00 0.00 H new ATOM 0 HA ALA A 3 1.179 9.130 -2.645 1.00 0.00 H new ATOM 0 HB1 ALA A 3 2.574 7.108 -2.302 1.00 0.00 H new ATOM 0 HB2 ALA A 3 2.189 7.332 -4.025 1.00 0.00 H new ATOM 0 HB3 ALA A 3 3.801 7.766 -3.409 1.00 0.00 H new ATOM 42 N VAL A 4 3.069 9.009 -0.599 1.00 0.00 N ATOM 43 CA VAL A 4 3.807 9.522 0.587 1.00 0.00 C ATOM 44 C VAL A 4 4.955 8.575 0.926 1.00 0.00 C ATOM 45 O VAL A 4 5.054 8.074 2.025 1.00 0.00 O ATOM 46 CB VAL A 4 2.858 9.634 1.779 1.00 0.00 C ATOM 47 CG1 VAL A 4 3.603 10.235 2.972 1.00 0.00 C ATOM 48 CG2 VAL A 4 1.683 10.539 1.404 1.00 0.00 C ATOM 0 H VAL A 4 2.637 8.093 -0.481 1.00 0.00 H new ATOM 0 HA VAL A 4 4.211 10.509 0.360 1.00 0.00 H new ATOM 0 HB VAL A 4 2.488 8.644 2.046 1.00 0.00 H new ATOM 0 HG11 VAL A 4 2.925 10.314 3.822 1.00 0.00 H new ATOM 0 HG12 VAL A 4 4.443 9.593 3.237 1.00 0.00 H new ATOM 0 HG13 VAL A 4 3.972 11.226 2.709 1.00 0.00 H new ATOM 0 HG21 VAL A 4 1.003 10.622 2.252 1.00 0.00 H new ATOM 0 HG22 VAL A 4 2.056 11.529 1.140 1.00 0.00 H new ATOM 0 HG23 VAL A 4 1.152 10.112 0.553 1.00 0.00 H new ATOM 58 N SER A 5 5.820 8.352 -0.029 1.00 0.00 N ATOM 59 CA SER A 5 7.006 7.460 0.160 1.00 0.00 C ATOM 60 C SER A 5 6.692 6.038 -0.316 1.00 0.00 C ATOM 61 O SER A 5 7.303 5.083 0.119 1.00 0.00 O ATOM 62 CB SER A 5 7.435 7.436 1.629 1.00 0.00 C ATOM 63 OG SER A 5 8.851 7.327 1.702 1.00 0.00 O ATOM 0 H SER A 5 5.752 8.763 -0.960 1.00 0.00 H new ATOM 0 HA SER A 5 7.826 7.857 -0.438 1.00 0.00 H new ATOM 0 HB2 SER A 5 7.102 8.344 2.132 1.00 0.00 H new ATOM 0 HB3 SER A 5 6.967 6.597 2.143 1.00 0.00 H new ATOM 0 HG SER A 5 9.130 7.313 2.641 1.00 0.00 H new ATOM 69 N VAL A 6 5.761 5.884 -1.221 1.00 0.00 N ATOM 70 CA VAL A 6 5.434 4.519 -1.729 1.00 0.00 C ATOM 71 C VAL A 6 5.327 4.550 -3.256 1.00 0.00 C ATOM 72 O VAL A 6 5.242 5.600 -3.861 1.00 0.00 O ATOM 73 CB VAL A 6 4.103 4.051 -1.138 1.00 0.00 C ATOM 74 CG1 VAL A 6 3.752 2.673 -1.705 1.00 0.00 C ATOM 75 CG2 VAL A 6 4.226 3.956 0.384 1.00 0.00 C ATOM 0 H VAL A 6 5.214 6.642 -1.629 1.00 0.00 H new ATOM 0 HA VAL A 6 6.224 3.830 -1.432 1.00 0.00 H new ATOM 0 HB VAL A 6 3.320 4.764 -1.397 1.00 0.00 H new ATOM 0 HG11 VAL A 6 2.804 2.338 -1.285 1.00 0.00 H new ATOM 0 HG12 VAL A 6 3.666 2.737 -2.790 1.00 0.00 H new ATOM 0 HG13 VAL A 6 4.536 1.962 -1.444 1.00 0.00 H new ATOM 0 HG21 VAL A 6 3.278 3.623 0.806 1.00 0.00 H new ATOM 0 HG22 VAL A 6 5.009 3.243 0.642 1.00 0.00 H new ATOM 0 HG23 VAL A 6 4.479 4.935 0.790 1.00 0.00 H new ATOM 85 N ASP A 7 5.332 3.405 -3.883 1.00 0.00 N ATOM 86 CA ASP A 7 5.230 3.365 -5.369 1.00 0.00 C ATOM 87 C ASP A 7 4.575 2.049 -5.798 1.00 0.00 C ATOM 88 O ASP A 7 4.821 1.009 -5.222 1.00 0.00 O ATOM 89 CB ASP A 7 6.632 3.458 -5.978 1.00 0.00 C ATOM 90 CG ASP A 7 6.526 3.852 -7.452 1.00 0.00 C ATOM 91 OD1 ASP A 7 5.587 4.554 -7.791 1.00 0.00 O ATOM 92 OD2 ASP A 7 7.384 3.445 -8.218 1.00 0.00 O ATOM 0 H ASP A 7 5.402 2.494 -3.429 1.00 0.00 H new ATOM 0 HA ASP A 7 4.626 4.203 -5.716 1.00 0.00 H new ATOM 0 HB2 ASP A 7 7.227 4.194 -5.436 1.00 0.00 H new ATOM 0 HB3 ASP A 7 7.145 2.501 -5.883 1.00 0.00 H new ATOM 97 N CYS A 8 3.746 2.081 -6.808 1.00 0.00 N ATOM 98 CA CYS A 8 3.085 0.825 -7.265 1.00 0.00 C ATOM 99 C CYS A 8 2.963 0.836 -8.794 1.00 0.00 C ATOM 100 O CYS A 8 1.893 0.657 -9.340 1.00 0.00 O ATOM 101 CB CYS A 8 1.685 0.715 -6.645 1.00 0.00 C ATOM 102 SG CYS A 8 1.736 1.243 -4.912 1.00 0.00 S ATOM 0 H CYS A 8 3.499 2.919 -7.334 1.00 0.00 H new ATOM 0 HA CYS A 8 3.686 -0.028 -6.951 1.00 0.00 H new ATOM 0 HB2 CYS A 8 0.981 1.333 -7.202 1.00 0.00 H new ATOM 0 HB3 CYS A 8 1.328 -0.313 -6.711 1.00 0.00 H new ATOM 107 N SER A 9 4.049 1.046 -9.488 1.00 0.00 N ATOM 108 CA SER A 9 3.988 1.069 -10.980 1.00 0.00 C ATOM 109 C SER A 9 4.095 -0.357 -11.524 1.00 0.00 C ATOM 110 O SER A 9 4.286 -0.571 -12.704 1.00 0.00 O ATOM 111 CB SER A 9 5.141 1.911 -11.526 1.00 0.00 C ATOM 112 OG SER A 9 4.623 3.113 -12.081 1.00 0.00 O ATOM 0 H SER A 9 4.974 1.202 -9.088 1.00 0.00 H new ATOM 0 HA SER A 9 3.039 1.504 -11.294 1.00 0.00 H new ATOM 0 HB2 SER A 9 5.848 2.140 -10.729 1.00 0.00 H new ATOM 0 HB3 SER A 9 5.687 1.352 -12.286 1.00 0.00 H new ATOM 0 HG SER A 9 5.360 3.656 -12.431 1.00 0.00 H new ATOM 118 N GLU A 10 3.972 -1.331 -10.670 1.00 0.00 N ATOM 119 CA GLU A 10 4.064 -2.749 -11.126 1.00 0.00 C ATOM 120 C GLU A 10 2.969 -3.573 -10.450 1.00 0.00 C ATOM 121 O GLU A 10 2.937 -4.785 -10.536 1.00 0.00 O ATOM 122 CB GLU A 10 5.429 -3.303 -10.740 1.00 0.00 C ATOM 123 CG GLU A 10 5.575 -3.295 -9.217 1.00 0.00 C ATOM 124 CD GLU A 10 6.508 -2.156 -8.803 1.00 0.00 C ATOM 125 OE1 GLU A 10 6.173 -1.014 -9.068 1.00 0.00 O ATOM 126 OE2 GLU A 10 7.546 -2.446 -8.230 1.00 0.00 O ATOM 0 H GLU A 10 3.811 -1.209 -9.670 1.00 0.00 H new ATOM 0 HA GLU A 10 3.936 -2.800 -12.207 1.00 0.00 H new ATOM 0 HB2 GLU A 10 5.541 -4.318 -11.121 1.00 0.00 H new ATOM 0 HB3 GLU A 10 6.218 -2.703 -11.194 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.599 -3.170 -8.748 1.00 0.00 H new ATOM 0 HG3 GLU A 10 5.974 -4.250 -8.874 1.00 0.00 H new ATOM 133 N TYR A 11 2.081 -2.915 -9.771 1.00 0.00 N ATOM 134 CA TYR A 11 0.984 -3.615 -9.066 1.00 0.00 C ATOM 135 C TYR A 11 -0.209 -3.792 -10.017 1.00 0.00 C ATOM 136 O TYR A 11 -0.239 -3.213 -11.085 1.00 0.00 O ATOM 137 CB TYR A 11 0.604 -2.763 -7.852 1.00 0.00 C ATOM 138 CG TYR A 11 1.520 -3.137 -6.710 1.00 0.00 C ATOM 139 CD1 TYR A 11 2.756 -2.495 -6.584 1.00 0.00 C ATOM 140 CD2 TYR A 11 1.152 -4.131 -5.795 1.00 0.00 C ATOM 141 CE1 TYR A 11 3.622 -2.838 -5.541 1.00 0.00 C ATOM 142 CE2 TYR A 11 2.023 -4.476 -4.753 1.00 0.00 C ATOM 143 CZ TYR A 11 3.254 -3.829 -4.626 1.00 0.00 C ATOM 144 OH TYR A 11 4.107 -4.171 -3.598 1.00 0.00 O ATOM 0 H TYR A 11 2.070 -1.900 -9.673 1.00 0.00 H new ATOM 0 HA TYR A 11 1.292 -4.608 -8.737 1.00 0.00 H new ATOM 0 HB2 TYR A 11 0.701 -1.703 -8.086 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -0.437 -2.935 -7.577 1.00 0.00 H new ATOM 0 HD1 TYR A 11 3.042 -1.733 -7.294 1.00 0.00 H new ATOM 0 HD2 TYR A 11 0.199 -4.630 -5.892 1.00 0.00 H new ATOM 0 HE1 TYR A 11 4.574 -2.338 -5.442 1.00 0.00 H new ATOM 0 HE2 TYR A 11 1.742 -5.243 -4.047 1.00 0.00 H new ATOM 0 HH TYR A 11 4.215 -5.145 -3.573 1.00 0.00 H new ATOM 154 N PRO A 12 -1.151 -4.600 -9.602 1.00 0.00 N ATOM 155 CA PRO A 12 -1.113 -5.297 -8.309 1.00 0.00 C ATOM 156 C PRO A 12 -0.424 -6.657 -8.431 1.00 0.00 C ATOM 157 O PRO A 12 0.235 -6.954 -9.408 1.00 0.00 O ATOM 158 CB PRO A 12 -2.594 -5.470 -7.968 1.00 0.00 C ATOM 159 CG PRO A 12 -3.373 -5.375 -9.312 1.00 0.00 C ATOM 160 CD PRO A 12 -2.363 -4.899 -10.377 1.00 0.00 C ATOM 0 HA PRO A 12 -0.552 -4.753 -7.549 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -2.771 -6.431 -7.485 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -2.924 -4.698 -7.273 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -3.795 -6.342 -9.584 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -4.205 -4.676 -9.228 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -2.179 -5.669 -11.126 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -2.726 -4.019 -10.907 1.00 0.00 H new ATOM 168 N LYS A 13 -0.575 -7.482 -7.432 1.00 0.00 N ATOM 169 CA LYS A 13 0.065 -8.824 -7.459 1.00 0.00 C ATOM 170 C LYS A 13 -0.935 -9.867 -6.941 1.00 0.00 C ATOM 171 O LYS A 13 -1.634 -9.621 -5.979 1.00 0.00 O ATOM 172 CB LYS A 13 1.300 -8.800 -6.560 1.00 0.00 C ATOM 173 CG LYS A 13 1.975 -7.430 -6.655 1.00 0.00 C ATOM 174 CD LYS A 13 3.158 -7.380 -5.687 1.00 0.00 C ATOM 175 CE LYS A 13 4.372 -8.047 -6.333 1.00 0.00 C ATOM 176 NZ LYS A 13 4.932 -7.148 -7.381 1.00 0.00 N ATOM 0 H LYS A 13 -1.119 -7.281 -6.593 1.00 0.00 H new ATOM 0 HA LYS A 13 0.360 -9.081 -8.476 1.00 0.00 H new ATOM 0 HB2 LYS A 13 1.016 -9.006 -5.528 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.997 -9.582 -6.861 1.00 0.00 H new ATOM 0 HG2 LYS A 13 2.317 -7.250 -7.674 1.00 0.00 H new ATOM 0 HG3 LYS A 13 1.261 -6.643 -6.415 1.00 0.00 H new ATOM 0 HD2 LYS A 13 3.390 -6.346 -5.432 1.00 0.00 H new ATOM 0 HD3 LYS A 13 2.903 -7.888 -4.757 1.00 0.00 H new ATOM 0 HE2 LYS A 13 5.129 -8.259 -5.578 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.085 -9.002 -6.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 5.936 -7.374 -7.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 4.409 -7.283 -8.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 4.843 -6.159 -7.073 1.00 0.00 H new ATOM 190 N PRO A 14 -0.978 -11.002 -7.598 1.00 0.00 N ATOM 191 CA PRO A 14 -1.894 -12.101 -7.228 1.00 0.00 C ATOM 192 C PRO A 14 -1.332 -12.906 -6.054 1.00 0.00 C ATOM 193 O PRO A 14 -1.772 -14.001 -5.766 1.00 0.00 O ATOM 194 CB PRO A 14 -1.953 -12.954 -8.495 1.00 0.00 C ATOM 195 CG PRO A 14 -0.667 -12.638 -9.295 1.00 0.00 C ATOM 196 CD PRO A 14 -0.137 -11.290 -8.779 1.00 0.00 C ATOM 0 HA PRO A 14 -2.874 -11.749 -6.905 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -2.006 -14.014 -8.247 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -2.842 -12.719 -9.080 1.00 0.00 H new ATOM 0 HG2 PRO A 14 0.076 -13.423 -9.156 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -0.880 -12.586 -10.363 1.00 0.00 H new ATOM 0 HD2 PRO A 14 0.918 -11.352 -8.512 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -0.229 -10.510 -9.534 1.00 0.00 H new ATOM 204 N ALA A 15 -0.362 -12.366 -5.378 1.00 0.00 N ATOM 205 CA ALA A 15 0.241 -13.084 -4.219 1.00 0.00 C ATOM 206 C ALA A 15 1.409 -12.260 -3.674 1.00 0.00 C ATOM 207 O ALA A 15 2.420 -12.093 -4.327 1.00 0.00 O ATOM 208 CB ALA A 15 0.751 -14.452 -4.677 1.00 0.00 C ATOM 0 H ALA A 15 0.044 -11.452 -5.577 1.00 0.00 H new ATOM 0 HA ALA A 15 -0.508 -13.221 -3.439 1.00 0.00 H new ATOM 0 HB1 ALA A 15 1.192 -14.978 -3.830 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -0.080 -15.036 -5.074 1.00 0.00 H new ATOM 0 HB3 ALA A 15 1.504 -14.318 -5.453 1.00 0.00 H new ATOM 214 N CYS A 16 1.280 -11.736 -2.486 1.00 0.00 N ATOM 215 CA CYS A 16 2.385 -10.918 -1.918 1.00 0.00 C ATOM 216 C CYS A 16 3.267 -11.775 -1.012 1.00 0.00 C ATOM 217 O CYS A 16 2.866 -12.816 -0.531 1.00 0.00 O ATOM 218 CB CYS A 16 1.810 -9.771 -1.086 1.00 0.00 C ATOM 219 SG CYS A 16 3.153 -8.682 -0.571 1.00 0.00 S ATOM 0 H CYS A 16 0.461 -11.839 -1.887 1.00 0.00 H new ATOM 0 HA CYS A 16 2.977 -10.523 -2.744 1.00 0.00 H new ATOM 0 HB2 CYS A 16 1.077 -9.214 -1.670 1.00 0.00 H new ATOM 0 HB3 CYS A 16 1.289 -10.164 -0.213 1.00 0.00 H new ATOM 224 N THR A 17 4.462 -11.320 -0.761 1.00 0.00 N ATOM 225 CA THR A 17 5.384 -12.070 0.130 1.00 0.00 C ATOM 226 C THR A 17 4.773 -12.117 1.530 1.00 0.00 C ATOM 227 O THR A 17 3.603 -12.403 1.690 1.00 0.00 O ATOM 228 CB THR A 17 6.738 -11.357 0.167 1.00 0.00 C ATOM 229 OG1 THR A 17 6.572 -10.061 0.726 1.00 0.00 O ATOM 230 CG2 THR A 17 7.289 -11.236 -1.254 1.00 0.00 C ATOM 0 H THR A 17 4.841 -10.452 -1.140 1.00 0.00 H new ATOM 0 HA THR A 17 5.531 -13.086 -0.238 1.00 0.00 H new ATOM 0 HB THR A 17 7.436 -11.929 0.777 1.00 0.00 H new ATOM 0 HG1 THR A 17 7.126 -9.419 0.234 1.00 0.00 H new ATOM 0 HG21 THR A 17 8.253 -10.728 -1.228 1.00 0.00 H new ATOM 0 HG22 THR A 17 7.414 -12.231 -1.682 1.00 0.00 H new ATOM 0 HG23 THR A 17 6.593 -10.663 -1.866 1.00 0.00 H new ATOM 238 N LEU A 18 5.539 -11.844 2.551 1.00 0.00 N ATOM 239 CA LEU A 18 4.957 -11.891 3.919 1.00 0.00 C ATOM 240 C LEU A 18 5.522 -10.769 4.798 1.00 0.00 C ATOM 241 O LEU A 18 5.247 -10.712 5.980 1.00 0.00 O ATOM 242 CB LEU A 18 5.271 -13.243 4.554 1.00 0.00 C ATOM 243 CG LEU A 18 6.777 -13.500 4.488 1.00 0.00 C ATOM 244 CD1 LEU A 18 7.408 -13.192 5.847 1.00 0.00 C ATOM 245 CD2 LEU A 18 7.026 -14.968 4.132 1.00 0.00 C ATOM 0 H LEU A 18 6.527 -11.594 2.498 1.00 0.00 H new ATOM 0 HA LEU A 18 3.878 -11.754 3.841 1.00 0.00 H new ATOM 0 HB2 LEU A 18 4.934 -13.257 5.591 1.00 0.00 H new ATOM 0 HB3 LEU A 18 4.733 -14.035 4.033 1.00 0.00 H new ATOM 0 HG LEU A 18 7.223 -12.859 3.728 1.00 0.00 H new ATOM 0 HD11 LEU A 18 8.481 -13.375 5.800 1.00 0.00 H new ATOM 0 HD12 LEU A 18 7.229 -12.148 6.103 1.00 0.00 H new ATOM 0 HD13 LEU A 18 6.964 -13.833 6.608 1.00 0.00 H new ATOM 0 HD21 LEU A 18 8.099 -15.154 4.084 1.00 0.00 H new ATOM 0 HD22 LEU A 18 6.580 -15.608 4.894 1.00 0.00 H new ATOM 0 HD23 LEU A 18 6.576 -15.189 3.164 1.00 0.00 H new ATOM 257 N GLU A 19 6.289 -9.870 4.246 1.00 0.00 N ATOM 258 CA GLU A 19 6.827 -8.760 5.090 1.00 0.00 C ATOM 259 C GLU A 19 5.652 -8.105 5.810 1.00 0.00 C ATOM 260 O GLU A 19 4.521 -8.529 5.669 1.00 0.00 O ATOM 261 CB GLU A 19 7.528 -7.715 4.218 1.00 0.00 C ATOM 262 CG GLU A 19 8.320 -8.405 3.111 1.00 0.00 C ATOM 263 CD GLU A 19 9.107 -9.581 3.692 1.00 0.00 C ATOM 264 OE1 GLU A 19 9.728 -9.399 4.727 1.00 0.00 O ATOM 265 OE2 GLU A 19 9.075 -10.644 3.094 1.00 0.00 O ATOM 0 H GLU A 19 6.565 -9.852 3.264 1.00 0.00 H new ATOM 0 HA GLU A 19 7.550 -9.157 5.802 1.00 0.00 H new ATOM 0 HB2 GLU A 19 6.792 -7.040 3.783 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.195 -7.108 4.829 1.00 0.00 H new ATOM 0 HG2 GLU A 19 7.643 -8.758 2.333 1.00 0.00 H new ATOM 0 HG3 GLU A 19 9.002 -7.695 2.643 1.00 0.00 H new ATOM 272 N TYR A 20 5.885 -7.075 6.572 1.00 0.00 N ATOM 273 CA TYR A 20 4.735 -6.433 7.267 1.00 0.00 C ATOM 274 C TYR A 20 4.935 -4.923 7.405 1.00 0.00 C ATOM 275 O TYR A 20 5.221 -4.414 8.470 1.00 0.00 O ATOM 276 CB TYR A 20 4.535 -7.048 8.653 1.00 0.00 C ATOM 277 CG TYR A 20 3.184 -6.628 9.192 1.00 0.00 C ATOM 278 CD1 TYR A 20 2.054 -6.642 8.359 1.00 0.00 C ATOM 279 CD2 TYR A 20 3.061 -6.218 10.526 1.00 0.00 C ATOM 280 CE1 TYR A 20 0.807 -6.247 8.860 1.00 0.00 C ATOM 281 CE2 TYR A 20 1.814 -5.824 11.026 1.00 0.00 C ATOM 282 CZ TYR A 20 0.688 -5.837 10.193 1.00 0.00 C ATOM 283 OH TYR A 20 -0.540 -5.448 10.690 1.00 0.00 O ATOM 0 H TYR A 20 6.800 -6.657 6.742 1.00 0.00 H new ATOM 0 HA TYR A 20 3.848 -6.610 6.659 1.00 0.00 H new ATOM 0 HB2 TYR A 20 4.595 -8.135 8.594 1.00 0.00 H new ATOM 0 HB3 TYR A 20 5.327 -6.721 9.327 1.00 0.00 H new ATOM 0 HD1 TYR A 20 2.146 -6.958 7.330 1.00 0.00 H new ATOM 0 HD2 TYR A 20 3.929 -6.206 11.169 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -0.062 -6.259 8.218 1.00 0.00 H new ATOM 0 HE2 TYR A 20 1.720 -5.510 12.055 1.00 0.00 H new ATOM 0 HH TYR A 20 -0.717 -5.920 11.530 1.00 0.00 H new ATOM 293 N ARG A 21 4.738 -4.205 6.337 1.00 0.00 N ATOM 294 CA ARG A 21 4.848 -2.725 6.382 1.00 0.00 C ATOM 295 C ARG A 21 3.426 -2.181 6.218 1.00 0.00 C ATOM 296 O ARG A 21 3.019 -1.835 5.127 1.00 0.00 O ATOM 297 CB ARG A 21 5.734 -2.228 5.235 1.00 0.00 C ATOM 298 CG ARG A 21 6.778 -3.294 4.887 1.00 0.00 C ATOM 299 CD ARG A 21 8.154 -2.640 4.763 1.00 0.00 C ATOM 300 NE ARG A 21 9.158 -3.455 5.504 1.00 0.00 N ATOM 301 CZ ARG A 21 10.205 -3.925 4.884 1.00 0.00 C ATOM 302 NH1 ARG A 21 10.068 -4.524 3.733 1.00 0.00 N ATOM 303 NH2 ARG A 21 11.389 -3.798 5.417 1.00 0.00 N ATOM 0 H ARG A 21 4.502 -4.588 5.422 1.00 0.00 H new ATOM 0 HA ARG A 21 5.296 -2.390 7.317 1.00 0.00 H new ATOM 0 HB2 ARG A 21 5.122 -2.006 4.361 1.00 0.00 H new ATOM 0 HB3 ARG A 21 6.229 -1.300 5.522 1.00 0.00 H new ATOM 0 HG2 ARG A 21 6.798 -4.064 5.658 1.00 0.00 H new ATOM 0 HG3 ARG A 21 6.512 -3.787 3.952 1.00 0.00 H new ATOM 0 HD2 ARG A 21 8.437 -2.560 3.714 1.00 0.00 H new ATOM 0 HD3 ARG A 21 8.125 -1.627 5.164 1.00 0.00 H new ATOM 0 HE ARG A 21 9.026 -3.646 6.497 1.00 0.00 H new ATOM 0 HH11 ARG A 21 9.142 -4.625 3.318 1.00 0.00 H new ATOM 0 HH12 ARG A 21 10.887 -4.891 3.249 1.00 0.00 H new ATOM 0 HH21 ARG A 21 11.495 -3.332 6.318 1.00 0.00 H new ATOM 0 HH22 ARG A 21 12.208 -4.165 4.933 1.00 0.00 H new ATOM 317 N PRO A 22 2.702 -2.159 7.309 1.00 0.00 N ATOM 318 CA PRO A 22 1.290 -1.725 7.327 1.00 0.00 C ATOM 319 C PRO A 22 1.133 -0.275 6.931 1.00 0.00 C ATOM 320 O PRO A 22 1.423 0.598 7.697 1.00 0.00 O ATOM 321 CB PRO A 22 0.856 -1.942 8.784 1.00 0.00 C ATOM 322 CG PRO A 22 2.156 -2.012 9.611 1.00 0.00 C ATOM 323 CD PRO A 22 3.238 -2.511 8.641 1.00 0.00 C ATOM 0 HA PRO A 22 0.686 -2.282 6.611 1.00 0.00 H new ATOM 0 HB2 PRO A 22 0.219 -1.126 9.127 1.00 0.00 H new ATOM 0 HB3 PRO A 22 0.279 -2.861 8.886 1.00 0.00 H new ATOM 0 HG2 PRO A 22 2.415 -1.034 10.017 1.00 0.00 H new ATOM 0 HG3 PRO A 22 2.046 -2.690 10.457 1.00 0.00 H new ATOM 0 HD2 PRO A 22 4.197 -2.028 8.827 1.00 0.00 H new ATOM 0 HD3 PRO A 22 3.398 -3.585 8.737 1.00 0.00 H new ATOM 331 N LEU A 23 0.652 -0.005 5.748 1.00 0.00 N ATOM 332 CA LEU A 23 0.472 1.412 5.361 1.00 0.00 C ATOM 333 C LEU A 23 -1.010 1.759 5.470 1.00 0.00 C ATOM 334 O LEU A 23 -1.830 1.212 4.760 1.00 0.00 O ATOM 335 CB LEU A 23 0.944 1.608 3.923 1.00 0.00 C ATOM 336 CG LEU A 23 2.224 0.804 3.696 1.00 0.00 C ATOM 337 CD1 LEU A 23 2.411 0.569 2.203 1.00 0.00 C ATOM 338 CD2 LEU A 23 3.420 1.580 4.243 1.00 0.00 C ATOM 0 H LEU A 23 0.382 -0.695 5.047 1.00 0.00 H new ATOM 0 HA LEU A 23 1.054 2.060 6.017 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.170 1.285 3.227 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.126 2.665 3.729 1.00 0.00 H new ATOM 0 HG LEU A 23 2.149 -0.154 4.211 1.00 0.00 H new ATOM 0 HD11 LEU A 23 3.323 -0.004 2.036 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.558 0.015 1.812 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.486 1.528 1.690 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.332 1.005 4.080 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.498 2.538 3.729 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.285 1.751 5.311 1.00 0.00 H new ATOM 350 N CYS A 24 -1.376 2.669 6.335 1.00 0.00 N ATOM 351 CA CYS A 24 -2.818 3.016 6.426 1.00 0.00 C ATOM 352 C CYS A 24 -3.125 3.916 5.244 1.00 0.00 C ATOM 353 O CYS A 24 -2.230 4.436 4.616 1.00 0.00 O ATOM 354 CB CYS A 24 -3.139 3.728 7.748 1.00 0.00 C ATOM 355 SG CYS A 24 -4.917 3.600 8.073 1.00 0.00 S ATOM 0 H CYS A 24 -0.754 3.174 6.966 1.00 0.00 H new ATOM 0 HA CYS A 24 -3.430 2.114 6.403 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -2.574 3.278 8.564 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -2.841 4.775 7.693 1.00 0.00 H new ATOM 360 N GLY A 25 -4.360 4.066 4.891 1.00 0.00 N ATOM 361 CA GLY A 25 -4.675 4.896 3.702 1.00 0.00 C ATOM 362 C GLY A 25 -5.695 5.970 4.021 1.00 0.00 C ATOM 363 O GLY A 25 -6.392 5.912 5.013 1.00 0.00 O ATOM 0 H GLY A 25 -5.163 3.655 5.367 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -3.762 5.361 3.331 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.056 4.259 2.904 1.00 0.00 H new ATOM 367 N SER A 26 -5.778 6.970 3.181 1.00 0.00 N ATOM 368 CA SER A 26 -6.750 8.064 3.440 1.00 0.00 C ATOM 369 C SER A 26 -8.159 7.474 3.584 1.00 0.00 C ATOM 370 O SER A 26 -9.064 8.117 4.078 1.00 0.00 O ATOM 371 CB SER A 26 -6.727 9.053 2.275 1.00 0.00 C ATOM 372 OG SER A 26 -7.595 10.140 2.565 1.00 0.00 O ATOM 0 H SER A 26 -5.218 7.073 2.335 1.00 0.00 H new ATOM 0 HA SER A 26 -6.478 8.581 4.360 1.00 0.00 H new ATOM 0 HB2 SER A 26 -5.712 9.416 2.111 1.00 0.00 H new ATOM 0 HB3 SER A 26 -7.040 8.558 1.356 1.00 0.00 H new ATOM 0 HG SER A 26 -7.581 10.777 1.820 1.00 0.00 H new ATOM 378 N ASP A 27 -8.352 6.255 3.150 1.00 0.00 N ATOM 379 CA ASP A 27 -9.702 5.621 3.257 1.00 0.00 C ATOM 380 C ASP A 27 -9.870 4.967 4.633 1.00 0.00 C ATOM 381 O ASP A 27 -10.711 4.113 4.827 1.00 0.00 O ATOM 382 CB ASP A 27 -9.869 4.559 2.161 1.00 0.00 C ATOM 383 CG ASP A 27 -8.549 3.814 1.944 1.00 0.00 C ATOM 384 OD1 ASP A 27 -7.802 3.679 2.900 1.00 0.00 O ATOM 385 OD2 ASP A 27 -8.309 3.387 0.826 1.00 0.00 O ATOM 0 H ASP A 27 -7.632 5.670 2.725 1.00 0.00 H new ATOM 0 HA ASP A 27 -10.462 6.392 3.132 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -10.651 3.854 2.443 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -10.186 5.032 1.231 1.00 0.00 H new ATOM 390 N ASN A 28 -9.085 5.371 5.594 1.00 0.00 N ATOM 391 CA ASN A 28 -9.205 4.789 6.962 1.00 0.00 C ATOM 392 C ASN A 28 -9.027 3.267 6.922 1.00 0.00 C ATOM 393 O ASN A 28 -9.413 2.568 7.838 1.00 0.00 O ATOM 394 CB ASN A 28 -10.585 5.120 7.534 1.00 0.00 C ATOM 395 CG ASN A 28 -10.912 6.590 7.263 1.00 0.00 C ATOM 396 OD1 ASN A 28 -12.066 6.965 7.193 1.00 0.00 O ATOM 397 ND2 ASN A 28 -9.939 7.445 7.107 1.00 0.00 N ATOM 0 H ASN A 28 -8.362 6.083 5.490 1.00 0.00 H new ATOM 0 HA ASN A 28 -8.425 5.216 7.592 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -11.341 4.479 7.081 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -10.602 4.925 8.606 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -10.147 8.427 6.927 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -8.970 7.131 7.166 1.00 0.00 H new ATOM 404 N LYS A 29 -8.443 2.741 5.879 1.00 0.00 N ATOM 405 CA LYS A 29 -8.248 1.261 5.812 1.00 0.00 C ATOM 406 C LYS A 29 -6.753 0.940 5.904 1.00 0.00 C ATOM 407 O LYS A 29 -5.932 1.568 5.265 1.00 0.00 O ATOM 408 CB LYS A 29 -8.811 0.707 4.496 1.00 0.00 C ATOM 409 CG LYS A 29 -9.870 1.661 3.936 1.00 0.00 C ATOM 410 CD LYS A 29 -10.453 1.080 2.646 1.00 0.00 C ATOM 411 CE LYS A 29 -11.813 0.446 2.943 1.00 0.00 C ATOM 412 NZ LYS A 29 -11.608 -0.900 3.546 1.00 0.00 N ATOM 0 H LYS A 29 -8.095 3.265 5.076 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.777 0.797 6.644 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -8.006 0.579 3.772 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -9.249 -0.277 4.664 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -10.662 1.812 4.669 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.427 2.637 3.739 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -10.561 1.865 1.897 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -9.775 0.334 2.231 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -12.381 1.079 3.624 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -12.396 0.361 2.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -12.486 -1.452 3.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -10.844 -1.394 3.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -11.351 -0.796 4.548 1.00 0.00 H new ATOM 426 N THR A 30 -6.393 -0.031 6.701 1.00 0.00 N ATOM 427 CA THR A 30 -4.952 -0.389 6.838 1.00 0.00 C ATOM 428 C THR A 30 -4.608 -1.519 5.867 1.00 0.00 C ATOM 429 O THR A 30 -5.385 -2.426 5.648 1.00 0.00 O ATOM 430 CB THR A 30 -4.668 -0.845 8.276 1.00 0.00 C ATOM 431 OG1 THR A 30 -4.591 0.293 9.122 1.00 0.00 O ATOM 432 CG2 THR A 30 -3.340 -1.614 8.329 1.00 0.00 C ATOM 0 H THR A 30 -7.035 -0.591 7.262 1.00 0.00 H new ATOM 0 HA THR A 30 -4.342 0.484 6.608 1.00 0.00 H new ATOM 0 HB THR A 30 -5.472 -1.500 8.612 1.00 0.00 H new ATOM 0 HG1 THR A 30 -4.713 1.106 8.589 1.00 0.00 H new ATOM 0 HG21 THR A 30 -3.146 -1.934 9.353 1.00 0.00 H new ATOM 0 HG22 THR A 30 -3.400 -2.488 7.681 1.00 0.00 H new ATOM 0 HG23 THR A 30 -2.531 -0.966 7.992 1.00 0.00 H new ATOM 440 N TYR A 31 -3.439 -1.470 5.299 1.00 0.00 N ATOM 441 CA TYR A 31 -3.016 -2.537 4.353 1.00 0.00 C ATOM 442 C TYR A 31 -1.887 -3.335 5.002 1.00 0.00 C ATOM 443 O TYR A 31 -0.891 -2.775 5.424 1.00 0.00 O ATOM 444 CB TYR A 31 -2.551 -1.883 3.051 1.00 0.00 C ATOM 445 CG TYR A 31 -3.756 -1.298 2.359 1.00 0.00 C ATOM 446 CD1 TYR A 31 -4.588 -2.121 1.590 1.00 0.00 C ATOM 447 CD2 TYR A 31 -4.056 0.062 2.504 1.00 0.00 C ATOM 448 CE1 TYR A 31 -5.718 -1.582 0.964 1.00 0.00 C ATOM 449 CE2 TYR A 31 -5.188 0.600 1.880 1.00 0.00 C ATOM 450 CZ TYR A 31 -6.018 -0.223 1.110 1.00 0.00 C ATOM 451 OH TYR A 31 -7.136 0.305 0.498 1.00 0.00 O ATOM 0 H TYR A 31 -2.752 -0.731 5.450 1.00 0.00 H new ATOM 0 HA TYR A 31 -3.840 -3.213 4.125 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -1.817 -1.104 3.258 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -2.064 -2.618 2.410 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -4.358 -3.170 1.480 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -3.414 0.696 3.097 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -6.359 -2.215 0.368 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -5.420 1.649 1.993 1.00 0.00 H new ATOM 0 HH TYR A 31 -7.250 1.238 0.774 1.00 0.00 H new ATOM 461 N GLY A 32 -2.057 -4.636 5.106 1.00 0.00 N ATOM 462 CA GLY A 32 -1.026 -5.498 5.755 1.00 0.00 C ATOM 463 C GLY A 32 0.366 -4.954 5.475 1.00 0.00 C ATOM 464 O GLY A 32 1.089 -4.579 6.376 1.00 0.00 O ATOM 0 H GLY A 32 -2.877 -5.137 4.763 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -1.199 -5.538 6.830 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.107 -6.519 5.381 1.00 0.00 H new ATOM 468 N ASN A 33 0.751 -4.890 4.234 1.00 0.00 N ATOM 469 CA ASN A 33 2.097 -4.345 3.929 1.00 0.00 C ATOM 470 C ASN A 33 2.068 -3.551 2.635 1.00 0.00 C ATOM 471 O ASN A 33 1.028 -3.258 2.080 1.00 0.00 O ATOM 472 CB ASN A 33 3.135 -5.468 3.828 1.00 0.00 C ATOM 473 CG ASN A 33 2.660 -6.568 2.888 1.00 0.00 C ATOM 474 OD1 ASN A 33 1.500 -6.633 2.547 1.00 0.00 O ATOM 475 ND2 ASN A 33 3.525 -7.444 2.458 1.00 0.00 N ATOM 0 H ASN A 33 0.200 -5.187 3.428 1.00 0.00 H new ATOM 0 HA ASN A 33 2.383 -3.683 4.746 1.00 0.00 H new ATOM 0 HB2 ASN A 33 4.081 -5.062 3.470 1.00 0.00 H new ATOM 0 HB3 ASN A 33 3.321 -5.886 4.817 1.00 0.00 H new ATOM 0 HD21 ASN A 33 3.226 -8.190 1.830 1.00 0.00 H new ATOM 0 HD22 ASN A 33 4.501 -7.383 2.749 1.00 0.00 H new ATOM 482 N LYS A 34 3.219 -3.178 2.178 1.00 0.00 N ATOM 483 CA LYS A 34 3.328 -2.372 0.949 1.00 0.00 C ATOM 484 C LYS A 34 2.440 -2.919 -0.165 1.00 0.00 C ATOM 485 O LYS A 34 1.710 -2.182 -0.785 1.00 0.00 O ATOM 486 CB LYS A 34 4.797 -2.380 0.523 1.00 0.00 C ATOM 487 CG LYS A 34 5.100 -3.620 -0.331 1.00 0.00 C ATOM 488 CD LYS A 34 6.546 -3.561 -0.818 1.00 0.00 C ATOM 489 CE LYS A 34 6.566 -3.078 -2.270 1.00 0.00 C ATOM 490 NZ LYS A 34 5.915 -1.741 -2.358 1.00 0.00 N ATOM 0 H LYS A 34 4.111 -3.405 2.618 1.00 0.00 H new ATOM 0 HA LYS A 34 2.988 -1.355 1.144 1.00 0.00 H new ATOM 0 HB2 LYS A 34 5.023 -1.476 -0.043 1.00 0.00 H new ATOM 0 HB3 LYS A 34 5.438 -2.372 1.405 1.00 0.00 H new ATOM 0 HG2 LYS A 34 4.938 -4.526 0.254 1.00 0.00 H new ATOM 0 HG3 LYS A 34 4.420 -3.664 -1.182 1.00 0.00 H new ATOM 0 HD2 LYS A 34 7.127 -2.886 -0.189 1.00 0.00 H new ATOM 0 HD3 LYS A 34 7.009 -4.545 -0.743 1.00 0.00 H new ATOM 0 HE2 LYS A 34 7.593 -3.019 -2.631 1.00 0.00 H new ATOM 0 HE3 LYS A 34 6.045 -3.791 -2.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 6.105 -1.323 -3.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 4.888 -1.845 -2.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 6.296 -1.120 -1.616 1.00 0.00 H new ATOM 504 N CYS A 35 2.504 -4.184 -0.448 1.00 0.00 N ATOM 505 CA CYS A 35 1.668 -4.720 -1.545 1.00 0.00 C ATOM 506 C CYS A 35 0.197 -4.433 -1.263 1.00 0.00 C ATOM 507 O CYS A 35 -0.429 -3.676 -1.965 1.00 0.00 O ATOM 508 CB CYS A 35 1.882 -6.223 -1.691 1.00 0.00 C ATOM 509 SG CYS A 35 2.206 -6.979 -0.084 1.00 0.00 S ATOM 0 H CYS A 35 3.095 -4.865 0.029 1.00 0.00 H new ATOM 0 HA CYS A 35 1.959 -4.233 -2.476 1.00 0.00 H new ATOM 0 HB2 CYS A 35 1.001 -6.679 -2.142 1.00 0.00 H new ATOM 0 HB3 CYS A 35 2.719 -6.413 -2.363 1.00 0.00 H new ATOM 514 N ASN A 36 -0.363 -5.030 -0.250 1.00 0.00 N ATOM 515 CA ASN A 36 -1.801 -4.780 0.053 1.00 0.00 C ATOM 516 C ASN A 36 -2.113 -3.279 -0.069 1.00 0.00 C ATOM 517 O ASN A 36 -3.208 -2.900 -0.432 1.00 0.00 O ATOM 518 CB ASN A 36 -2.118 -5.275 1.465 1.00 0.00 C ATOM 519 CG ASN A 36 -2.179 -6.806 1.453 1.00 0.00 C ATOM 520 OD1 ASN A 36 -3.247 -7.385 1.416 1.00 0.00 O ATOM 521 ND2 ASN A 36 -1.066 -7.487 1.480 1.00 0.00 N ATOM 0 H ASN A 36 0.109 -5.678 0.380 1.00 0.00 H new ATOM 0 HA ASN A 36 -2.420 -5.321 -0.662 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -1.355 -4.934 2.164 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -3.068 -4.863 1.804 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -1.092 -8.507 1.470 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -0.171 -7.000 1.511 1.00 0.00 H new ATOM 528 N PHE A 37 -1.164 -2.417 0.210 1.00 0.00 N ATOM 529 CA PHE A 37 -1.436 -0.952 0.075 1.00 0.00 C ATOM 530 C PHE A 37 -1.561 -0.613 -1.393 1.00 0.00 C ATOM 531 O PHE A 37 -2.444 0.096 -1.832 1.00 0.00 O ATOM 532 CB PHE A 37 -0.282 -0.139 0.668 1.00 0.00 C ATOM 533 CG PHE A 37 -0.540 1.312 0.398 1.00 0.00 C ATOM 534 CD1 PHE A 37 -1.745 1.892 0.774 1.00 0.00 C ATOM 535 CD2 PHE A 37 0.420 2.054 -0.279 1.00 0.00 C ATOM 536 CE1 PHE A 37 -1.997 3.237 0.467 1.00 0.00 C ATOM 537 CE2 PHE A 37 0.184 3.397 -0.583 1.00 0.00 C ATOM 538 CZ PHE A 37 -1.029 3.992 -0.214 1.00 0.00 C ATOM 0 H PHE A 37 -0.224 -2.661 0.522 1.00 0.00 H new ATOM 0 HA PHE A 37 -2.356 -0.710 0.607 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -0.204 -0.317 1.740 1.00 0.00 H new ATOM 0 HB3 PHE A 37 0.665 -0.445 0.224 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -2.486 1.309 1.301 1.00 0.00 H new ATOM 0 HD2 PHE A 37 1.351 1.591 -0.571 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -2.934 3.691 0.754 1.00 0.00 H new ATOM 0 HE2 PHE A 37 0.935 3.975 -1.101 1.00 0.00 H new ATOM 0 HZ PHE A 37 -1.219 5.028 -0.453 1.00 0.00 H new ATOM 548 N CYS A 38 -0.656 -1.129 -2.131 1.00 0.00 N ATOM 549 CA CYS A 38 -0.629 -0.886 -3.605 1.00 0.00 C ATOM 550 C CYS A 38 -1.866 -1.513 -4.257 1.00 0.00 C ATOM 551 O CYS A 38 -2.333 -1.056 -5.279 1.00 0.00 O ATOM 552 CB CYS A 38 0.631 -1.506 -4.215 1.00 0.00 C ATOM 553 SG CYS A 38 2.067 -0.456 -3.864 1.00 0.00 S ATOM 0 H CYS A 38 0.094 -1.727 -1.785 1.00 0.00 H new ATOM 0 HA CYS A 38 -0.626 0.189 -3.784 1.00 0.00 H new ATOM 0 HB2 CYS A 38 0.790 -2.504 -3.806 1.00 0.00 H new ATOM 0 HB3 CYS A 38 0.507 -1.619 -5.292 1.00 0.00 H new ATOM 558 N ASN A 39 -2.412 -2.545 -3.670 1.00 0.00 N ATOM 559 CA ASN A 39 -3.628 -3.170 -4.257 1.00 0.00 C ATOM 560 C ASN A 39 -4.746 -2.137 -4.198 1.00 0.00 C ATOM 561 O ASN A 39 -5.688 -2.165 -4.964 1.00 0.00 O ATOM 562 CB ASN A 39 -4.016 -4.408 -3.445 1.00 0.00 C ATOM 563 CG ASN A 39 -2.811 -5.346 -3.335 1.00 0.00 C ATOM 564 OD1 ASN A 39 -1.689 -4.940 -3.564 1.00 0.00 O ATOM 565 ND2 ASN A 39 -2.996 -6.591 -2.991 1.00 0.00 N ATOM 0 H ASN A 39 -2.069 -2.979 -2.813 1.00 0.00 H new ATOM 0 HA ASN A 39 -3.446 -3.479 -5.286 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -4.352 -4.113 -2.451 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -4.849 -4.923 -3.924 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -2.199 -7.223 -2.914 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -3.938 -6.932 -2.799 1.00 0.00 H new ATOM 572 N ALA A 40 -4.623 -1.205 -3.293 1.00 0.00 N ATOM 573 CA ALA A 40 -5.643 -0.135 -3.168 1.00 0.00 C ATOM 574 C ALA A 40 -5.329 0.950 -4.195 1.00 0.00 C ATOM 575 O ALA A 40 -6.204 1.494 -4.838 1.00 0.00 O ATOM 576 CB ALA A 40 -5.574 0.460 -1.760 1.00 0.00 C ATOM 0 H ALA A 40 -3.850 -1.142 -2.630 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.641 -0.537 -3.342 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.321 1.247 -1.661 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.770 -0.321 -1.025 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -4.582 0.878 -1.590 1.00 0.00 H new ATOM 582 N VAL A 41 -4.071 1.256 -4.356 1.00 0.00 N ATOM 583 CA VAL A 41 -3.662 2.292 -5.341 1.00 0.00 C ATOM 584 C VAL A 41 -4.007 1.809 -6.748 1.00 0.00 C ATOM 585 O VAL A 41 -4.175 2.586 -7.666 1.00 0.00 O ATOM 586 CB VAL A 41 -2.150 2.493 -5.243 1.00 0.00 C ATOM 587 CG1 VAL A 41 -1.705 3.548 -6.257 1.00 0.00 C ATOM 588 CG2 VAL A 41 -1.785 2.946 -3.826 1.00 0.00 C ATOM 0 H VAL A 41 -3.302 0.827 -3.841 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.181 3.228 -5.134 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.644 1.553 -5.461 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -0.627 3.690 -6.185 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.961 3.216 -7.263 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.210 4.491 -6.046 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.707 3.089 -3.756 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.291 3.885 -3.603 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.097 2.186 -3.109 1.00 0.00 H new ATOM 598 N VAL A 42 -4.093 0.521 -6.921 1.00 0.00 N ATOM 599 CA VAL A 42 -4.400 -0.045 -8.261 1.00 0.00 C ATOM 600 C VAL A 42 -5.915 -0.206 -8.440 1.00 0.00 C ATOM 601 O VAL A 42 -6.435 -0.062 -9.528 1.00 0.00 O ATOM 602 CB VAL A 42 -3.725 -1.412 -8.374 1.00 0.00 C ATOM 603 CG1 VAL A 42 -2.220 -1.256 -8.166 1.00 0.00 C ATOM 604 CG2 VAL A 42 -4.276 -2.333 -7.293 1.00 0.00 C ATOM 0 H VAL A 42 -3.962 -0.171 -6.183 1.00 0.00 H new ATOM 0 HA VAL A 42 -4.030 0.628 -9.035 1.00 0.00 H new ATOM 0 HB VAL A 42 -3.920 -1.832 -9.361 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -1.739 -2.231 -8.247 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -1.815 -0.587 -8.926 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -2.031 -0.838 -7.177 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -3.798 -3.310 -7.369 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.073 -1.905 -6.312 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -5.352 -2.445 -7.424 1.00 0.00 H new ATOM 614 N GLU A 43 -6.624 -0.514 -7.388 1.00 0.00 N ATOM 615 CA GLU A 43 -8.096 -0.693 -7.511 1.00 0.00 C ATOM 616 C GLU A 43 -8.797 0.637 -7.246 1.00 0.00 C ATOM 617 O GLU A 43 -10.006 0.705 -7.146 1.00 0.00 O ATOM 618 CB GLU A 43 -8.574 -1.739 -6.500 1.00 0.00 C ATOM 619 CG GLU A 43 -9.681 -2.582 -7.129 1.00 0.00 C ATOM 620 CD GLU A 43 -9.347 -4.067 -6.976 1.00 0.00 C ATOM 621 OE1 GLU A 43 -9.671 -4.623 -5.939 1.00 0.00 O ATOM 622 OE2 GLU A 43 -8.774 -4.623 -7.897 1.00 0.00 O ATOM 0 H GLU A 43 -6.247 -0.649 -6.450 1.00 0.00 H new ATOM 0 HA GLU A 43 -8.336 -1.032 -8.519 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -7.743 -2.376 -6.199 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -8.942 -1.249 -5.599 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -10.635 -2.363 -6.650 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -9.788 -2.330 -8.184 1.00 0.00 H new ATOM 629 N SER A 44 -8.048 1.697 -7.133 1.00 0.00 N ATOM 630 CA SER A 44 -8.673 3.023 -6.874 1.00 0.00 C ATOM 631 C SER A 44 -8.289 3.987 -7.996 1.00 0.00 C ATOM 632 O SER A 44 -8.397 5.187 -7.855 1.00 0.00 O ATOM 633 CB SER A 44 -8.166 3.571 -5.539 1.00 0.00 C ATOM 634 OG SER A 44 -7.018 4.377 -5.770 1.00 0.00 O ATOM 0 H SER A 44 -7.031 1.703 -7.209 1.00 0.00 H new ATOM 0 HA SER A 44 -9.757 2.917 -6.836 1.00 0.00 H new ATOM 0 HB2 SER A 44 -8.946 4.158 -5.054 1.00 0.00 H new ATOM 0 HB3 SER A 44 -7.919 2.750 -4.866 1.00 0.00 H new ATOM 0 HG SER A 44 -6.232 3.802 -5.881 1.00 0.00 H new ATOM 640 N ASN A 45 -7.831 3.468 -9.105 1.00 0.00 N ATOM 641 CA ASN A 45 -7.424 4.350 -10.235 1.00 0.00 C ATOM 642 C ASN A 45 -6.231 5.198 -9.792 1.00 0.00 C ATOM 643 O ASN A 45 -5.998 6.279 -10.295 1.00 0.00 O ATOM 644 CB ASN A 45 -8.593 5.258 -10.635 1.00 0.00 C ATOM 645 CG ASN A 45 -9.566 4.475 -11.519 1.00 0.00 C ATOM 646 OD1 ASN A 45 -10.037 4.980 -12.519 1.00 0.00 O ATOM 647 ND2 ASN A 45 -9.887 3.256 -11.191 1.00 0.00 N ATOM 0 H ASN A 45 -7.722 2.468 -9.276 1.00 0.00 H new ATOM 0 HA ASN A 45 -7.145 3.743 -11.096 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -9.106 5.622 -9.745 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -8.222 6.133 -11.170 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -10.534 2.725 -11.774 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -9.491 2.833 -10.352 1.00 0.00 H new ATOM 654 N GLY A 46 -5.476 4.705 -8.849 1.00 0.00 N ATOM 655 CA GLY A 46 -4.291 5.459 -8.352 1.00 0.00 C ATOM 656 C GLY A 46 -4.734 6.806 -7.781 1.00 0.00 C ATOM 657 O GLY A 46 -3.942 7.710 -7.608 1.00 0.00 O ATOM 0 H GLY A 46 -5.631 3.804 -8.398 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.776 4.880 -7.585 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -3.581 5.614 -9.164 1.00 0.00 H new ATOM 661 N THR A 47 -5.994 6.938 -7.471 1.00 0.00 N ATOM 662 CA THR A 47 -6.488 8.216 -6.892 1.00 0.00 C ATOM 663 C THR A 47 -6.333 8.156 -5.372 1.00 0.00 C ATOM 664 O THR A 47 -6.480 9.144 -4.681 1.00 0.00 O ATOM 665 CB THR A 47 -7.965 8.409 -7.251 1.00 0.00 C ATOM 666 OG1 THR A 47 -8.755 7.495 -6.504 1.00 0.00 O ATOM 667 CG2 THR A 47 -8.167 8.159 -8.747 1.00 0.00 C ATOM 0 H THR A 47 -6.703 6.215 -7.594 1.00 0.00 H new ATOM 0 HA THR A 47 -5.914 9.052 -7.293 1.00 0.00 H new ATOM 0 HB THR A 47 -8.267 9.429 -7.013 1.00 0.00 H new ATOM 0 HG1 THR A 47 -8.713 6.609 -6.921 1.00 0.00 H new ATOM 0 HG21 THR A 47 -9.218 8.297 -9.000 1.00 0.00 H new ATOM 0 HG22 THR A 47 -7.561 8.862 -9.318 1.00 0.00 H new ATOM 0 HG23 THR A 47 -7.866 7.140 -8.989 1.00 0.00 H new ATOM 675 N LEU A 48 -6.025 6.999 -4.848 1.00 0.00 N ATOM 676 CA LEU A 48 -5.849 6.856 -3.397 1.00 0.00 C ATOM 677 C LEU A 48 -4.462 7.373 -3.016 1.00 0.00 C ATOM 678 O LEU A 48 -3.524 7.286 -3.783 1.00 0.00 O ATOM 679 CB LEU A 48 -5.958 5.368 -3.061 1.00 0.00 C ATOM 680 CG LEU A 48 -5.168 5.069 -1.795 1.00 0.00 C ATOM 681 CD1 LEU A 48 -5.923 4.052 -0.968 1.00 0.00 C ATOM 682 CD2 LEU A 48 -3.786 4.516 -2.154 1.00 0.00 C ATOM 0 H LEU A 48 -5.889 6.141 -5.383 1.00 0.00 H new ATOM 0 HA LEU A 48 -6.603 7.422 -2.850 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.003 5.092 -2.923 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.577 4.770 -3.889 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.041 5.989 -1.224 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.362 3.833 -0.059 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.901 4.453 -0.703 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -6.050 3.136 -1.545 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.230 4.306 -1.241 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.900 3.597 -2.729 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.243 5.251 -2.748 1.00 0.00 H new ATOM 694 N THR A 49 -4.320 7.882 -1.830 1.00 0.00 N ATOM 695 CA THR A 49 -2.992 8.366 -1.401 1.00 0.00 C ATOM 696 C THR A 49 -2.596 7.664 -0.107 1.00 0.00 C ATOM 697 O THR A 49 -3.405 7.453 0.790 1.00 0.00 O ATOM 698 CB THR A 49 -3.032 9.875 -1.185 1.00 0.00 C ATOM 699 OG1 THR A 49 -3.723 10.163 0.024 1.00 0.00 O ATOM 700 CG2 THR A 49 -3.751 10.539 -2.362 1.00 0.00 C ATOM 0 H THR A 49 -5.066 7.983 -1.142 1.00 0.00 H new ATOM 0 HA THR A 49 -2.257 8.143 -2.174 1.00 0.00 H new ATOM 0 HB THR A 49 -2.015 10.262 -1.119 1.00 0.00 H new ATOM 0 HG1 THR A 49 -3.747 11.133 0.164 1.00 0.00 H new ATOM 0 HG21 THR A 49 -3.780 11.618 -2.209 1.00 0.00 H new ATOM 0 HG22 THR A 49 -3.217 10.318 -3.286 1.00 0.00 H new ATOM 0 HG23 THR A 49 -4.769 10.155 -2.430 1.00 0.00 H new ATOM 708 N LEU A 50 -1.351 7.302 -0.012 1.00 0.00 N ATOM 709 CA LEU A 50 -0.859 6.617 1.191 1.00 0.00 C ATOM 710 C LEU A 50 -1.102 7.535 2.390 1.00 0.00 C ATOM 711 O LEU A 50 -0.891 8.730 2.321 1.00 0.00 O ATOM 712 CB LEU A 50 0.636 6.346 0.982 1.00 0.00 C ATOM 713 CG LEU A 50 1.387 6.322 2.309 1.00 0.00 C ATOM 714 CD1 LEU A 50 1.035 5.041 3.062 1.00 0.00 C ATOM 715 CD2 LEU A 50 2.889 6.356 2.017 1.00 0.00 C ATOM 0 H LEU A 50 -0.648 7.458 -0.734 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.370 5.672 1.373 1.00 0.00 H new ATOM 0 HB2 LEU A 50 0.767 5.392 0.471 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.060 7.115 0.336 1.00 0.00 H new ATOM 0 HG LEU A 50 1.110 7.182 2.919 1.00 0.00 H new ATOM 0 HD11 LEU A 50 1.569 5.019 4.012 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.038 5.012 3.249 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.322 4.177 2.464 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.443 6.339 2.956 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.163 5.487 1.419 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.132 7.266 1.468 1.00 0.00 H new ATOM 727 N SER A 51 -1.556 6.994 3.479 1.00 0.00 N ATOM 728 CA SER A 51 -1.829 7.812 4.659 1.00 0.00 C ATOM 729 C SER A 51 -0.544 7.992 5.472 1.00 0.00 C ATOM 730 O SER A 51 -0.087 9.093 5.704 1.00 0.00 O ATOM 731 CB SER A 51 -2.876 7.101 5.518 1.00 0.00 C ATOM 732 OG SER A 51 -2.264 6.243 6.424 1.00 0.00 O ATOM 0 H SER A 51 -1.750 5.999 3.592 1.00 0.00 H new ATOM 0 HA SER A 51 -2.197 8.791 4.351 1.00 0.00 H new ATOM 0 HB2 SER A 51 -3.476 7.837 6.054 1.00 0.00 H new ATOM 0 HB3 SER A 51 -3.557 6.539 4.879 1.00 0.00 H new ATOM 0 HG SER A 51 -1.887 5.476 5.945 1.00 0.00 H new ATOM 738 N HIS A 52 0.025 6.911 5.913 1.00 0.00 N ATOM 739 CA HIS A 52 1.270 6.983 6.726 1.00 0.00 C ATOM 740 C HIS A 52 1.863 5.579 6.874 1.00 0.00 C ATOM 741 O HIS A 52 1.146 4.598 6.952 1.00 0.00 O ATOM 742 CB HIS A 52 0.918 7.509 8.117 1.00 0.00 C ATOM 743 CG HIS A 52 0.063 6.485 8.814 1.00 0.00 C ATOM 744 ND1 HIS A 52 0.007 6.374 10.195 1.00 0.00 N ATOM 745 CD2 HIS A 52 -0.769 5.505 8.329 1.00 0.00 C ATOM 746 CE1 HIS A 52 -0.832 5.360 10.483 1.00 0.00 C ATOM 747 NE2 HIS A 52 -1.328 4.798 9.383 1.00 0.00 N ATOM 0 H HIS A 52 -0.322 5.967 5.744 1.00 0.00 H new ATOM 0 HA HIS A 52 1.989 7.641 6.238 1.00 0.00 H new ATOM 0 HB2 HIS A 52 1.825 7.698 8.691 1.00 0.00 H new ATOM 0 HB3 HIS A 52 0.386 8.457 8.040 1.00 0.00 H new ATOM 0 HD1 HIS A 52 0.508 6.953 10.868 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -0.959 5.314 7.283 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -1.073 5.041 11.486 1.00 0.00 H new ATOM 755 N PHE A 53 3.161 5.462 6.919 1.00 0.00 N ATOM 756 CA PHE A 53 3.757 4.109 7.078 1.00 0.00 C ATOM 757 C PHE A 53 3.472 3.575 8.479 1.00 0.00 C ATOM 758 O PHE A 53 4.049 4.000 9.460 1.00 0.00 O ATOM 759 CB PHE A 53 5.258 4.160 6.866 1.00 0.00 C ATOM 760 CG PHE A 53 5.532 4.145 5.389 1.00 0.00 C ATOM 761 CD1 PHE A 53 5.229 5.269 4.618 1.00 0.00 C ATOM 762 CD2 PHE A 53 6.077 3.005 4.789 1.00 0.00 C ATOM 763 CE1 PHE A 53 5.472 5.258 3.245 1.00 0.00 C ATOM 764 CE2 PHE A 53 6.321 2.991 3.413 1.00 0.00 C ATOM 765 CZ PHE A 53 6.018 4.117 2.640 1.00 0.00 C ATOM 0 H PHE A 53 3.826 6.233 6.854 1.00 0.00 H new ATOM 0 HA PHE A 53 3.311 3.450 6.333 1.00 0.00 H new ATOM 0 HB2 PHE A 53 5.674 5.060 7.319 1.00 0.00 H new ATOM 0 HB3 PHE A 53 5.738 3.309 7.349 1.00 0.00 H new ATOM 0 HD1 PHE A 53 4.807 6.147 5.085 1.00 0.00 H new ATOM 0 HD2 PHE A 53 6.309 2.137 5.388 1.00 0.00 H new ATOM 0 HE1 PHE A 53 5.240 6.128 2.648 1.00 0.00 H new ATOM 0 HE2 PHE A 53 6.743 2.113 2.947 1.00 0.00 H new ATOM 0 HZ PHE A 53 6.205 4.107 1.576 1.00 0.00 H new ATOM 775 N GLY A 54 2.585 2.637 8.558 1.00 0.00 N ATOM 776 CA GLY A 54 2.221 2.023 9.856 1.00 0.00 C ATOM 777 C GLY A 54 0.731 1.688 9.845 1.00 0.00 C ATOM 778 O GLY A 54 0.016 2.006 8.915 1.00 0.00 O ATOM 0 H GLY A 54 2.082 2.258 7.756 1.00 0.00 H new ATOM 0 HA2 GLY A 54 2.809 1.121 10.024 1.00 0.00 H new ATOM 0 HA3 GLY A 54 2.447 2.708 10.673 1.00 0.00 H new ATOM 782 N LYS A 55 0.260 1.074 10.878 1.00 0.00 N ATOM 783 CA LYS A 55 -1.191 0.735 10.953 1.00 0.00 C ATOM 784 C LYS A 55 -1.931 1.887 11.636 1.00 0.00 C ATOM 785 O LYS A 55 -1.517 2.372 12.670 1.00 0.00 O ATOM 786 CB LYS A 55 -1.417 -0.560 11.752 1.00 0.00 C ATOM 787 CG LYS A 55 -0.158 -0.945 12.535 1.00 0.00 C ATOM 788 CD LYS A 55 -0.395 -2.270 13.260 1.00 0.00 C ATOM 789 CE LYS A 55 0.804 -3.194 13.039 1.00 0.00 C ATOM 790 NZ LYS A 55 1.578 -3.311 14.306 1.00 0.00 N ATOM 0 H LYS A 55 0.814 0.786 11.685 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.569 0.582 9.942 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -2.252 -0.427 12.440 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -1.690 -1.368 11.073 1.00 0.00 H new ATOM 0 HG2 LYS A 55 0.691 -1.035 11.858 1.00 0.00 H new ATOM 0 HG3 LYS A 55 0.089 -0.164 13.254 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -0.540 -2.093 14.326 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -1.305 -2.742 12.889 1.00 0.00 H new ATOM 0 HE2 LYS A 55 0.464 -4.178 12.715 1.00 0.00 H new ATOM 0 HE3 LYS A 55 1.440 -2.800 12.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 2.394 -3.939 14.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 1.913 -2.370 14.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 0.968 -3.706 15.050 1.00 0.00 H new ATOM 804 N CYS A 56 -3.016 2.334 11.064 1.00 0.00 N ATOM 805 CA CYS A 56 -3.774 3.460 11.682 1.00 0.00 C ATOM 806 C CYS A 56 -3.864 3.250 13.195 1.00 0.00 C ATOM 807 O CYS A 56 -4.669 2.434 13.613 1.00 0.00 O ATOM 808 CB CYS A 56 -5.183 3.515 11.088 1.00 0.00 C ATOM 809 SG CYS A 56 -5.212 4.715 9.732 1.00 0.00 S ATOM 810 OXT CYS A 56 -3.126 3.908 13.908 1.00 0.00 O ATOM 0 H CYS A 56 -3.410 1.969 10.197 1.00 0.00 H new ATOM 0 HA CYS A 56 -3.258 4.398 11.478 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -5.476 2.530 10.724 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -5.903 3.798 11.856 1.00 0.00 H new TER 815 CYS A 56