USER MOD reduce.3.24.130724 H: found=0, std=0, add=379, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 379 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 36 MET CE :methyl -126:sc= -4.27! (180deg=-4.47!) USER MOD Set 1.2: A 51 ASN : amide:sc= 0.0913 K(o=-4.2,f=-8.1!) USER MOD Single : A 1 ALA N :NH3+ -112:sc= 0.0864 (180deg=0) USER MOD Single : A 2 HIS :FLIP no HE2:sc= -11.4! C(o=-13!,f=-11!) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 130:sc= 0 USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 ASN : amide:sc= -0.0384 X(o=-0.038,f=0) USER MOD Single : A 16 LYS NZ :NH3+ -117:sc= 0 (180deg=-0.22) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ -142:sc= 0.0826 (180deg=-0.3) USER MOD Single : A 33 HIS : no HD1:sc= -14.8! C(o=-15!,f=-17!) USER MOD Single : A 35 ASN :FLIP amide:sc= -0.802 F(o=-2.5!,f=-0.8) USER MOD Single : A 43 HIS :FLIP no HD1:sc= -16.3! C(o=-17!,f=-16!) USER MOD Single : A 49 TYR OH : rot 95:sc= -3.23 USER MOD Single : A 50 SER OG : rot 180:sc= -1.34 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 7.732 -1.383 -9.559 1.00 0.00 N ATOM 2 CA ALA A 1 6.948 -2.209 -8.604 1.00 0.00 C ATOM 3 C ALA A 1 7.650 -2.303 -7.254 1.00 0.00 C ATOM 4 O ALA A 1 8.840 -2.011 -7.139 1.00 0.00 O ATOM 5 CB ALA A 1 6.722 -3.601 -9.175 1.00 0.00 C ATOM 0 H1 ALA A 1 7.218 -0.501 -9.758 1.00 0.00 H new ATOM 0 H2 ALA A 1 8.658 -1.158 -9.144 1.00 0.00 H new ATOM 0 H3 ALA A 1 7.869 -1.912 -10.444 1.00 0.00 H new ATOM 0 HA ALA A 1 5.983 -1.725 -8.452 1.00 0.00 H new ATOM 0 HB1 ALA A 1 6.147 -4.196 -8.466 1.00 0.00 H new ATOM 0 HB2 ALA A 1 6.173 -3.525 -10.114 1.00 0.00 H new ATOM 0 HB3 ALA A 1 7.684 -4.081 -9.355 1.00 0.00 H new ATOM 13 N HIS A 2 6.905 -2.716 -6.235 1.00 0.00 N ATOM 14 CA HIS A 2 7.447 -2.855 -4.896 1.00 0.00 C ATOM 15 C HIS A 2 7.135 -4.219 -4.311 1.00 0.00 C ATOM 16 O HIS A 2 7.021 -5.216 -5.025 1.00 0.00 O ATOM 17 CB HIS A 2 6.945 -1.735 -3.991 1.00 0.00 C ATOM 18 CG HIS A 2 8.006 -1.269 -3.041 1.00 0.00 C ATOM 19 ND1 HIS A 2 8.111 -1.386 -1.697 1.00 0.00 N flip ATOM 20 CD2 HIS A 2 9.145 -0.606 -3.452 1.00 0.00 C flip ATOM 21 CE1 HIS A 2 9.296 -0.800 -1.326 1.00 0.00 C flip ATOM 22 NE2 HIS A 2 9.901 -0.337 -2.404 1.00 0.00 N flip ATOM 0 H HIS A 2 5.918 -2.961 -6.316 1.00 0.00 H new ATOM 0 HA HIS A 2 8.532 -2.772 -4.963 1.00 0.00 H new ATOM 0 HB2 HIS A 2 6.610 -0.897 -4.602 1.00 0.00 H new ATOM 0 HB3 HIS A 2 6.080 -2.084 -3.427 1.00 0.00 H new ATOM 0 HD1 HIS A 2 7.435 -1.828 -1.074 1.00 0.00 H new ATOM 0 HD2 HIS A 2 9.381 -0.347 -4.474 1.00 0.00 H new ATOM 0 HE1 HIS A 2 9.672 -0.729 -0.316 1.00 0.00 H new ATOM 31 N MET A 3 7.050 -4.246 -3.007 1.00 0.00 N ATOM 32 CA MET A 3 6.805 -5.488 -2.261 1.00 0.00 C ATOM 33 C MET A 3 5.391 -6.049 -2.486 1.00 0.00 C ATOM 34 O MET A 3 4.726 -5.709 -3.464 1.00 0.00 O ATOM 35 CB MET A 3 7.043 -5.246 -0.768 1.00 0.00 C ATOM 36 CG MET A 3 7.995 -6.245 -0.133 1.00 0.00 C ATOM 37 SD MET A 3 9.616 -6.258 -0.922 1.00 0.00 S ATOM 38 CE MET A 3 10.536 -5.183 0.176 1.00 0.00 C ATOM 0 H MET A 3 7.146 -3.419 -2.418 1.00 0.00 H new ATOM 0 HA MET A 3 7.504 -6.235 -2.637 1.00 0.00 H new ATOM 0 HB2 MET A 3 7.440 -4.240 -0.631 1.00 0.00 H new ATOM 0 HB3 MET A 3 6.087 -5.285 -0.245 1.00 0.00 H new ATOM 0 HG2 MET A 3 8.112 -6.008 0.924 1.00 0.00 H new ATOM 0 HG3 MET A 3 7.560 -7.243 -0.190 1.00 0.00 H new ATOM 0 HE1 MET A 3 11.562 -5.091 -0.180 1.00 0.00 H new ATOM 0 HE2 MET A 3 10.069 -4.198 0.196 1.00 0.00 H new ATOM 0 HE3 MET A 3 10.537 -5.605 1.181 1.00 0.00 H new ATOM 48 N ASP A 4 4.960 -6.933 -1.571 1.00 0.00 N ATOM 49 CA ASP A 4 3.641 -7.588 -1.636 1.00 0.00 C ATOM 50 C ASP A 4 2.565 -6.676 -2.224 1.00 0.00 C ATOM 51 O ASP A 4 1.954 -5.883 -1.509 1.00 0.00 O ATOM 52 CB ASP A 4 3.223 -8.038 -0.234 1.00 0.00 C ATOM 53 CG ASP A 4 2.454 -9.346 -0.250 1.00 0.00 C ATOM 54 OD1 ASP A 4 2.716 -10.177 -1.145 1.00 0.00 O ATOM 55 OD2 ASP A 4 1.590 -9.538 0.630 1.00 0.00 O ATOM 0 H ASP A 4 5.516 -7.215 -0.764 1.00 0.00 H new ATOM 0 HA ASP A 4 3.736 -8.448 -2.298 1.00 0.00 H new ATOM 0 HB2 ASP A 4 4.111 -8.150 0.388 1.00 0.00 H new ATOM 0 HB3 ASP A 4 2.608 -7.264 0.224 1.00 0.00 H new ATOM 60 N CYS A 5 2.347 -6.781 -3.532 1.00 0.00 N ATOM 61 CA CYS A 5 1.358 -5.946 -4.213 1.00 0.00 C ATOM 62 C CYS A 5 0.112 -6.736 -4.611 1.00 0.00 C ATOM 63 O CYS A 5 0.196 -7.921 -4.933 1.00 0.00 O ATOM 64 CB CYS A 5 1.989 -5.324 -5.459 1.00 0.00 C ATOM 65 SG CYS A 5 1.158 -3.817 -6.040 1.00 0.00 S ATOM 0 H CYS A 5 2.840 -7.434 -4.142 1.00 0.00 H new ATOM 0 HA CYS A 5 1.046 -5.168 -3.516 1.00 0.00 H new ATOM 0 HB2 CYS A 5 3.033 -5.091 -5.247 1.00 0.00 H new ATOM 0 HB3 CYS A 5 1.984 -6.061 -6.262 1.00 0.00 H new ATOM 70 N THR A 6 -1.045 -6.064 -4.606 1.00 0.00 N ATOM 71 CA THR A 6 -2.298 -6.703 -4.986 1.00 0.00 C ATOM 72 C THR A 6 -2.191 -7.319 -6.392 1.00 0.00 C ATOM 73 O THR A 6 -2.952 -8.226 -6.718 1.00 0.00 O ATOM 74 CB THR A 6 -3.433 -5.678 -4.962 1.00 0.00 C ATOM 75 OG1 THR A 6 -4.651 -6.268 -5.378 1.00 0.00 O ATOM 76 CG2 THR A 6 -3.177 -4.478 -5.850 1.00 0.00 C ATOM 0 H THR A 6 -1.134 -5.082 -4.343 1.00 0.00 H new ATOM 0 HA THR A 6 -2.508 -7.498 -4.271 1.00 0.00 H new ATOM 0 HB THR A 6 -3.492 -5.338 -3.928 1.00 0.00 H new ATOM 0 HG1 THR A 6 -5.354 -6.061 -4.727 1.00 0.00 H new ATOM 0 HG21 THR A 6 -4.021 -3.791 -5.786 1.00 0.00 H new ATOM 0 HG22 THR A 6 -2.270 -3.970 -5.523 1.00 0.00 H new ATOM 0 HG23 THR A 6 -3.056 -4.808 -6.882 1.00 0.00 H new ATOM 84 N GLU A 7 -1.250 -6.810 -7.228 1.00 0.00 N ATOM 85 CA GLU A 7 -1.054 -7.302 -8.601 1.00 0.00 C ATOM 86 C GLU A 7 -1.512 -8.750 -8.788 1.00 0.00 C ATOM 87 O GLU A 7 -0.720 -9.686 -8.686 1.00 0.00 O ATOM 88 CB GLU A 7 0.419 -7.179 -8.992 1.00 0.00 C ATOM 89 CG GLU A 7 1.366 -7.863 -8.019 1.00 0.00 C ATOM 90 CD GLU A 7 2.802 -7.401 -8.179 1.00 0.00 C ATOM 91 OE1 GLU A 7 3.135 -6.863 -9.255 1.00 0.00 O ATOM 92 OE2 GLU A 7 3.590 -7.578 -7.228 1.00 0.00 O ATOM 0 H GLU A 7 -0.616 -6.055 -6.966 1.00 0.00 H new ATOM 0 HA GLU A 7 -1.674 -6.682 -9.249 1.00 0.00 H new ATOM 0 HB2 GLU A 7 0.560 -7.607 -9.985 1.00 0.00 H new ATOM 0 HB3 GLU A 7 0.681 -6.123 -9.060 1.00 0.00 H new ATOM 0 HG2 GLU A 7 1.037 -7.666 -6.999 1.00 0.00 H new ATOM 0 HG3 GLU A 7 1.317 -8.942 -8.168 1.00 0.00 H new ATOM 99 N PHE A 8 -2.798 -8.914 -9.074 1.00 0.00 N ATOM 100 CA PHE A 8 -3.385 -10.231 -9.294 1.00 0.00 C ATOM 101 C PHE A 8 -4.703 -10.084 -10.053 1.00 0.00 C ATOM 102 O PHE A 8 -4.922 -9.077 -10.726 1.00 0.00 O ATOM 103 CB PHE A 8 -3.598 -10.947 -7.954 1.00 0.00 C ATOM 104 CG PHE A 8 -2.829 -12.232 -7.830 1.00 0.00 C ATOM 105 CD1 PHE A 8 -3.308 -13.403 -8.396 1.00 0.00 C ATOM 106 CD2 PHE A 8 -1.624 -12.268 -7.145 1.00 0.00 C ATOM 107 CE1 PHE A 8 -2.600 -14.584 -8.282 1.00 0.00 C ATOM 108 CE2 PHE A 8 -0.912 -13.446 -7.028 1.00 0.00 C ATOM 109 CZ PHE A 8 -1.401 -14.606 -7.598 1.00 0.00 C ATOM 0 H PHE A 8 -3.460 -8.143 -9.160 1.00 0.00 H new ATOM 0 HA PHE A 8 -2.705 -10.836 -9.893 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -3.306 -10.279 -7.144 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -4.660 -11.155 -7.828 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -4.245 -13.392 -8.932 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -1.237 -11.364 -6.698 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -2.984 -15.490 -8.728 1.00 0.00 H new ATOM 0 HE2 PHE A 8 0.025 -13.460 -6.492 1.00 0.00 H new ATOM 0 HZ PHE A 8 -0.846 -15.528 -7.509 1.00 0.00 H new ATOM 119 N ASN A 9 -5.586 -11.072 -9.944 1.00 0.00 N ATOM 120 CA ASN A 9 -6.872 -11.004 -10.626 1.00 0.00 C ATOM 121 C ASN A 9 -7.746 -9.930 -9.983 1.00 0.00 C ATOM 122 O ASN A 9 -8.152 -8.973 -10.643 1.00 0.00 O ATOM 123 CB ASN A 9 -7.577 -12.363 -10.585 1.00 0.00 C ATOM 124 CG ASN A 9 -7.514 -13.089 -11.915 1.00 0.00 C ATOM 125 OD1 ASN A 9 -8.536 -13.312 -12.562 1.00 0.00 O ATOM 126 ND2 ASN A 9 -6.308 -13.463 -12.329 1.00 0.00 N ATOM 0 H ASN A 9 -5.437 -11.920 -9.396 1.00 0.00 H new ATOM 0 HA ASN A 9 -6.701 -10.741 -11.670 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -7.120 -12.983 -9.814 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -8.620 -12.220 -10.302 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -6.203 -13.956 -13.216 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -5.487 -13.257 -11.760 1.00 0.00 H new ATOM 133 N PRO A 10 -8.042 -10.067 -8.677 1.00 0.00 N ATOM 134 CA PRO A 10 -8.858 -9.105 -7.942 1.00 0.00 C ATOM 135 C PRO A 10 -8.023 -7.968 -7.353 1.00 0.00 C ATOM 136 O PRO A 10 -7.459 -8.102 -6.267 1.00 0.00 O ATOM 137 CB PRO A 10 -9.439 -9.968 -6.830 1.00 0.00 C ATOM 138 CG PRO A 10 -8.354 -10.942 -6.517 1.00 0.00 C ATOM 139 CD PRO A 10 -7.599 -11.175 -7.804 1.00 0.00 C ATOM 0 HA PRO A 10 -9.600 -8.611 -8.570 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -9.701 -9.370 -5.957 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -10.348 -10.475 -7.153 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -7.692 -10.550 -5.745 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -8.769 -11.875 -6.137 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -6.521 -11.153 -7.645 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -7.837 -12.146 -8.238 1.00 0.00 H new ATOM 147 N LEU A 11 -7.940 -6.854 -8.075 1.00 0.00 N ATOM 148 CA LEU A 11 -7.164 -5.703 -7.616 1.00 0.00 C ATOM 149 C LEU A 11 -7.708 -5.162 -6.306 1.00 0.00 C ATOM 150 O LEU A 11 -8.782 -5.565 -5.874 1.00 0.00 O ATOM 151 CB LEU A 11 -7.148 -4.604 -8.679 1.00 0.00 C ATOM 152 CG LEU A 11 -6.253 -4.884 -9.887 1.00 0.00 C ATOM 153 CD1 LEU A 11 -4.814 -5.102 -9.446 1.00 0.00 C ATOM 154 CD2 LEU A 11 -6.764 -6.089 -10.660 1.00 0.00 C ATOM 0 H LEU A 11 -8.398 -6.723 -8.977 1.00 0.00 H new ATOM 0 HA LEU A 11 -6.141 -6.038 -7.446 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -8.167 -4.445 -9.031 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -6.823 -3.674 -8.213 1.00 0.00 H new ATOM 0 HG LEU A 11 -6.282 -4.016 -10.546 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -4.192 -5.300 -10.319 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -4.451 -4.210 -8.936 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -4.767 -5.953 -8.766 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -6.115 -6.274 -11.516 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -6.765 -6.964 -10.010 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -7.778 -5.894 -11.009 1.00 0.00 H new ATOM 166 N CYS A 12 -6.934 -4.259 -5.681 1.00 0.00 N ATOM 167 CA CYS A 12 -7.278 -3.640 -4.396 1.00 0.00 C ATOM 168 C CYS A 12 -8.761 -3.726 -4.058 1.00 0.00 C ATOM 169 O CYS A 12 -9.436 -2.715 -3.858 1.00 0.00 O ATOM 170 CB CYS A 12 -6.819 -2.189 -4.383 1.00 0.00 C ATOM 171 SG CYS A 12 -7.813 -1.069 -5.434 1.00 0.00 S ATOM 0 H CYS A 12 -6.043 -3.937 -6.060 1.00 0.00 H new ATOM 0 HA CYS A 12 -6.756 -4.207 -3.625 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -6.845 -1.822 -3.357 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -5.780 -2.147 -4.710 1.00 0.00 H new ATOM 176 N ARG A 13 -9.250 -4.945 -3.976 1.00 0.00 N ATOM 177 CA ARG A 13 -10.652 -5.188 -3.642 1.00 0.00 C ATOM 178 C ARG A 13 -10.871 -5.111 -2.132 1.00 0.00 C ATOM 179 O ARG A 13 -11.723 -5.810 -1.582 1.00 0.00 O ATOM 180 CB ARG A 13 -11.118 -6.551 -4.168 1.00 0.00 C ATOM 181 CG ARG A 13 -10.173 -7.702 -3.854 1.00 0.00 C ATOM 182 CD ARG A 13 -10.407 -8.266 -2.462 1.00 0.00 C ATOM 183 NE ARG A 13 -11.722 -8.886 -2.335 1.00 0.00 N ATOM 184 CZ ARG A 13 -12.098 -9.619 -1.288 1.00 0.00 C ATOM 185 NH1 ARG A 13 -11.265 -9.813 -0.273 1.00 0.00 N ATOM 186 NH2 ARG A 13 -13.309 -10.158 -1.256 1.00 0.00 N ATOM 0 H ARG A 13 -8.702 -5.790 -4.135 1.00 0.00 H new ATOM 0 HA ARG A 13 -11.244 -4.410 -4.124 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -12.097 -6.775 -3.745 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -11.245 -6.486 -5.249 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -10.306 -8.492 -4.593 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -9.142 -7.358 -3.937 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -9.636 -9.002 -2.235 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -10.311 -7.467 -1.727 1.00 0.00 H new ATOM 0 HE ARG A 13 -12.392 -8.750 -3.092 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -10.333 -9.400 -0.292 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -11.557 -10.375 0.526 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -13.953 -10.012 -2.033 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -13.596 -10.719 -0.454 1.00 0.00 H new ATOM 200 N CYS A 14 -10.097 -4.255 -1.467 1.00 0.00 N ATOM 201 CA CYS A 14 -10.205 -4.086 -0.028 1.00 0.00 C ATOM 202 C CYS A 14 -10.425 -2.619 0.335 1.00 0.00 C ATOM 203 O CYS A 14 -9.551 -1.772 0.149 1.00 0.00 O ATOM 204 CB CYS A 14 -8.959 -4.664 0.673 1.00 0.00 C ATOM 205 SG CYS A 14 -7.627 -3.471 1.066 1.00 0.00 S ATOM 0 H CYS A 14 -9.388 -3.669 -1.907 1.00 0.00 H new ATOM 0 HA CYS A 14 -11.076 -4.640 0.324 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -9.277 -5.140 1.600 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -8.542 -5.447 0.040 1.00 0.00 H new ATOM 210 N ASN A 15 -11.607 -2.334 0.850 1.00 0.00 N ATOM 211 CA ASN A 15 -11.965 -0.976 1.250 1.00 0.00 C ATOM 212 C ASN A 15 -11.534 -0.728 2.681 1.00 0.00 C ATOM 213 O ASN A 15 -10.896 0.279 2.967 1.00 0.00 O ATOM 214 CB ASN A 15 -13.471 -0.752 1.126 1.00 0.00 C ATOM 215 CG ASN A 15 -13.813 0.360 0.151 1.00 0.00 C ATOM 216 OD1 ASN A 15 -14.531 0.145 -0.825 1.00 0.00 O ATOM 217 ND2 ASN A 15 -13.298 1.556 0.413 1.00 0.00 N ATOM 0 H ASN A 15 -12.342 -3.025 1.004 1.00 0.00 H new ATOM 0 HA ASN A 15 -11.452 -0.279 0.587 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -13.947 -1.677 0.800 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -13.882 -0.511 2.106 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -13.493 2.342 -0.207 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -12.708 1.688 1.234 1.00 0.00 H new ATOM 224 N LYS A 16 -11.904 -1.664 3.561 1.00 0.00 N ATOM 225 CA LYS A 16 -11.595 -1.609 4.994 1.00 0.00 C ATOM 226 C LYS A 16 -10.443 -0.664 5.299 1.00 0.00 C ATOM 227 O LYS A 16 -9.404 -1.079 5.808 1.00 0.00 O ATOM 228 CB LYS A 16 -11.266 -3.011 5.511 1.00 0.00 C ATOM 229 CG LYS A 16 -11.473 -3.174 7.008 1.00 0.00 C ATOM 230 CD LYS A 16 -12.710 -4.004 7.318 1.00 0.00 C ATOM 231 CE LYS A 16 -12.436 -5.031 8.405 1.00 0.00 C ATOM 232 NZ LYS A 16 -12.426 -4.416 9.762 1.00 0.00 N ATOM 0 H LYS A 16 -12.434 -2.493 3.294 1.00 0.00 H new ATOM 0 HA LYS A 16 -12.479 -1.223 5.503 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -11.887 -3.737 4.986 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -10.229 -3.244 5.269 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -10.596 -3.650 7.447 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -11.568 -2.192 7.471 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -13.520 -3.347 7.633 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -13.045 -4.511 6.413 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -13.195 -5.812 8.366 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -11.476 -5.511 8.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -11.481 -4.521 10.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -12.662 -3.406 9.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -13.128 -4.892 10.364 1.00 0.00 H new ATOM 246 N MET A 17 -10.645 0.600 4.953 1.00 0.00 N ATOM 247 CA MET A 17 -9.639 1.649 5.153 1.00 0.00 C ATOM 248 C MET A 17 -9.066 1.645 6.567 1.00 0.00 C ATOM 249 O MET A 17 -9.260 2.582 7.342 1.00 0.00 O ATOM 250 CB MET A 17 -10.234 3.014 4.866 1.00 0.00 C ATOM 251 CG MET A 17 -10.701 3.194 3.430 1.00 0.00 C ATOM 252 SD MET A 17 -10.250 4.803 2.751 1.00 0.00 S ATOM 253 CE MET A 17 -8.547 4.507 2.283 1.00 0.00 C ATOM 0 H MET A 17 -11.509 0.933 4.525 1.00 0.00 H new ATOM 0 HA MET A 17 -8.827 1.438 4.458 1.00 0.00 H new ATOM 0 HB2 MET A 17 -11.078 3.179 5.535 1.00 0.00 H new ATOM 0 HB3 MET A 17 -9.491 3.778 5.095 1.00 0.00 H new ATOM 0 HG2 MET A 17 -10.269 2.408 2.810 1.00 0.00 H new ATOM 0 HG3 MET A 17 -11.784 3.076 3.386 1.00 0.00 H new ATOM 0 HE1 MET A 17 -8.127 5.413 1.846 1.00 0.00 H new ATOM 0 HE2 MET A 17 -7.970 4.229 3.165 1.00 0.00 H new ATOM 0 HE3 MET A 17 -8.506 3.699 1.553 1.00 0.00 H new ATOM 263 N LEU A 18 -8.349 0.588 6.876 1.00 0.00 N ATOM 264 CA LEU A 18 -7.710 0.418 8.170 1.00 0.00 C ATOM 265 C LEU A 18 -6.786 -0.790 8.137 1.00 0.00 C ATOM 266 O LEU A 18 -6.873 -1.687 8.976 1.00 0.00 O ATOM 267 CB LEU A 18 -8.755 0.269 9.273 1.00 0.00 C ATOM 268 CG LEU A 18 -9.634 -0.983 9.178 1.00 0.00 C ATOM 269 CD1 LEU A 18 -9.260 -1.988 10.257 1.00 0.00 C ATOM 270 CD2 LEU A 18 -11.105 -0.610 9.283 1.00 0.00 C ATOM 0 H LEU A 18 -8.189 -0.187 6.233 1.00 0.00 H new ATOM 0 HA LEU A 18 -7.117 1.307 8.388 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -8.244 0.262 10.236 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -9.400 1.148 9.261 1.00 0.00 H new ATOM 0 HG LEU A 18 -9.463 -1.447 8.207 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -9.897 -2.869 10.171 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -8.217 -2.281 10.136 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -9.398 -1.536 11.239 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -11.715 -1.511 9.214 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -11.289 -0.120 10.239 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -11.367 0.069 8.471 1.00 0.00 H new ATOM 282 N GLY A 19 -5.910 -0.803 7.146 1.00 0.00 N ATOM 283 CA GLY A 19 -4.979 -1.903 6.986 1.00 0.00 C ATOM 284 C GLY A 19 -3.775 -1.796 7.896 1.00 0.00 C ATOM 285 O GLY A 19 -3.813 -1.111 8.918 1.00 0.00 O ATOM 0 H GLY A 19 -5.825 -0.067 6.444 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -5.496 -2.841 7.186 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -4.642 -1.939 5.950 1.00 0.00 H new ATOM 289 N ASP A 20 -2.702 -2.486 7.523 1.00 0.00 N ATOM 290 CA ASP A 20 -1.478 -2.484 8.306 1.00 0.00 C ATOM 291 C ASP A 20 -0.798 -1.122 8.270 1.00 0.00 C ATOM 292 O ASP A 20 -1.257 -0.196 7.600 1.00 0.00 O ATOM 293 CB ASP A 20 -0.519 -3.555 7.785 1.00 0.00 C ATOM 294 CG ASP A 20 -1.226 -4.847 7.420 1.00 0.00 C ATOM 295 OD1 ASP A 20 -2.056 -4.826 6.486 1.00 0.00 O ATOM 296 OD2 ASP A 20 -0.952 -5.878 8.068 1.00 0.00 O ATOM 0 H ASP A 20 -2.659 -3.056 6.678 1.00 0.00 H new ATOM 0 HA ASP A 20 -1.743 -2.705 9.340 1.00 0.00 H new ATOM 0 HB2 ASP A 20 0.005 -3.172 6.909 1.00 0.00 H new ATOM 0 HB3 ASP A 20 0.236 -3.761 8.544 1.00 0.00 H new ATOM 301 N LEU A 21 0.302 -1.017 9.002 1.00 0.00 N ATOM 302 CA LEU A 21 1.076 0.214 9.080 1.00 0.00 C ATOM 303 C LEU A 21 2.197 0.212 8.050 1.00 0.00 C ATOM 304 O LEU A 21 3.349 -0.082 8.369 1.00 0.00 O ATOM 305 CB LEU A 21 1.665 0.357 10.478 1.00 0.00 C ATOM 306 CG LEU A 21 2.508 -0.835 10.929 1.00 0.00 C ATOM 307 CD1 LEU A 21 3.700 -0.369 11.745 1.00 0.00 C ATOM 308 CD2 LEU A 21 1.660 -1.821 11.717 1.00 0.00 C ATOM 0 H LEU A 21 0.683 -1.782 9.558 1.00 0.00 H new ATOM 0 HA LEU A 21 0.415 1.055 8.871 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.281 1.256 10.510 1.00 0.00 H new ATOM 0 HB3 LEU A 21 0.852 0.502 11.189 1.00 0.00 H new ATOM 0 HG LEU A 21 2.885 -1.346 10.043 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.288 -1.233 12.057 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.320 0.292 11.139 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.350 0.169 12.626 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.277 -2.663 12.030 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.249 -1.326 12.597 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.845 -2.182 11.090 1.00 0.00 H new ATOM 320 N ILE A 22 1.854 0.534 6.816 1.00 0.00 N ATOM 321 CA ILE A 22 2.832 0.561 5.738 1.00 0.00 C ATOM 322 C ILE A 22 3.454 1.942 5.592 1.00 0.00 C ATOM 323 O ILE A 22 2.831 2.952 5.914 1.00 0.00 O ATOM 324 CB ILE A 22 2.194 0.123 4.401 1.00 0.00 C ATOM 325 CG1 ILE A 22 3.083 0.470 3.216 1.00 0.00 C ATOM 326 CG2 ILE A 22 0.826 0.757 4.218 1.00 0.00 C ATOM 327 CD1 ILE A 22 2.806 1.836 2.619 1.00 0.00 C ATOM 0 H ILE A 22 0.906 0.781 6.533 1.00 0.00 H new ATOM 0 HA ILE A 22 3.621 -0.146 5.996 1.00 0.00 H new ATOM 0 HB ILE A 22 2.081 -0.960 4.440 1.00 0.00 H new ATOM 0 HG12 ILE A 22 4.125 0.427 3.532 1.00 0.00 H new ATOM 0 HG13 ILE A 22 2.953 -0.287 2.443 1.00 0.00 H new ATOM 0 HG21 ILE A 22 0.399 0.433 3.269 1.00 0.00 H new ATOM 0 HG22 ILE A 22 0.171 0.452 5.034 1.00 0.00 H new ATOM 0 HG23 ILE A 22 0.925 1.842 4.219 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.480 2.010 1.780 1.00 0.00 H new ATOM 0 HD12 ILE A 22 1.774 1.878 2.271 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.965 2.603 3.377 1.00 0.00 H new ATOM 339 N CYS A 23 4.687 1.976 5.093 1.00 0.00 N ATOM 340 CA CYS A 23 5.395 3.232 4.889 1.00 0.00 C ATOM 341 C CYS A 23 5.625 3.453 3.403 1.00 0.00 C ATOM 342 O CYS A 23 6.634 3.014 2.851 1.00 0.00 O ATOM 343 CB CYS A 23 6.732 3.221 5.636 1.00 0.00 C ATOM 344 SG CYS A 23 7.287 4.865 6.191 1.00 0.00 S ATOM 0 H CYS A 23 5.215 1.146 4.823 1.00 0.00 H new ATOM 0 HA CYS A 23 4.789 4.048 5.283 1.00 0.00 H new ATOM 0 HB2 CYS A 23 6.646 2.566 6.503 1.00 0.00 H new ATOM 0 HB3 CYS A 23 7.495 2.792 4.987 1.00 0.00 H new ATOM 349 N ALA A 24 4.672 4.111 2.752 1.00 0.00 N ATOM 350 CA ALA A 24 4.763 4.355 1.323 1.00 0.00 C ATOM 351 C ALA A 24 5.679 5.525 1.006 1.00 0.00 C ATOM 352 O ALA A 24 5.823 6.458 1.795 1.00 0.00 O ATOM 353 CB ALA A 24 3.384 4.596 0.732 1.00 0.00 C ATOM 0 H ALA A 24 3.831 4.483 3.193 1.00 0.00 H new ATOM 0 HA ALA A 24 5.194 3.462 0.870 1.00 0.00 H new ATOM 0 HB1 ALA A 24 3.474 4.777 -0.339 1.00 0.00 H new ATOM 0 HB2 ALA A 24 2.758 3.720 0.901 1.00 0.00 H new ATOM 0 HB3 ALA A 24 2.930 5.464 1.210 1.00 0.00 H new ATOM 359 N VAL A 25 6.292 5.452 -0.165 1.00 0.00 N ATOM 360 CA VAL A 25 7.208 6.482 -0.632 1.00 0.00 C ATOM 361 C VAL A 25 7.215 6.545 -2.152 1.00 0.00 C ATOM 362 O VAL A 25 7.104 5.516 -2.834 1.00 0.00 O ATOM 363 CB VAL A 25 8.645 6.222 -0.141 1.00 0.00 C ATOM 364 CG1 VAL A 25 9.530 7.430 -0.406 1.00 0.00 C ATOM 365 CG2 VAL A 25 8.651 5.860 1.338 1.00 0.00 C ATOM 0 H VAL A 25 6.169 4.678 -0.818 1.00 0.00 H new ATOM 0 HA VAL A 25 6.858 7.430 -0.224 1.00 0.00 H new ATOM 0 HB VAL A 25 9.049 5.377 -0.698 1.00 0.00 H new ATOM 0 HG11 VAL A 25 10.540 7.226 -0.052 1.00 0.00 H new ATOM 0 HG12 VAL A 25 9.555 7.635 -1.476 1.00 0.00 H new ATOM 0 HG13 VAL A 25 9.130 8.297 0.120 1.00 0.00 H new ATOM 0 HG21 VAL A 25 9.675 5.680 1.664 1.00 0.00 H new ATOM 0 HG22 VAL A 25 8.225 6.681 1.915 1.00 0.00 H new ATOM 0 HG23 VAL A 25 8.057 4.959 1.495 1.00 0.00 H new ATOM 375 N ILE A 26 7.340 7.760 -2.678 1.00 0.00 N ATOM 376 CA ILE A 26 7.366 7.955 -4.125 1.00 0.00 C ATOM 377 C ILE A 26 7.989 9.292 -4.526 1.00 0.00 C ATOM 378 O ILE A 26 7.290 10.292 -4.690 1.00 0.00 O ATOM 379 CB ILE A 26 5.965 7.852 -4.758 1.00 0.00 C ATOM 380 CG1 ILE A 26 4.884 8.358 -3.790 1.00 0.00 C ATOM 381 CG2 ILE A 26 5.698 6.424 -5.208 1.00 0.00 C ATOM 382 CD1 ILE A 26 4.457 7.358 -2.732 1.00 0.00 C ATOM 0 H ILE A 26 7.424 8.617 -2.131 1.00 0.00 H new ATOM 0 HA ILE A 26 7.989 7.146 -4.506 1.00 0.00 H new ATOM 0 HB ILE A 26 5.929 8.494 -5.638 1.00 0.00 H new ATOM 0 HG12 ILE A 26 5.253 9.256 -3.293 1.00 0.00 H new ATOM 0 HG13 ILE A 26 4.007 8.651 -4.368 1.00 0.00 H new ATOM 0 HG21 ILE A 26 4.705 6.363 -5.654 1.00 0.00 H new ATOM 0 HG22 ILE A 26 6.445 6.129 -5.944 1.00 0.00 H new ATOM 0 HG23 ILE A 26 5.752 5.756 -4.349 1.00 0.00 H new ATOM 0 HD11 ILE A 26 3.692 7.805 -2.097 1.00 0.00 H new ATOM 0 HD12 ILE A 26 4.054 6.468 -3.215 1.00 0.00 H new ATOM 0 HD13 ILE A 26 5.318 7.082 -2.123 1.00 0.00 H new ATOM 394 N GLY A 27 9.306 9.283 -4.700 1.00 0.00 N ATOM 395 CA GLY A 27 10.036 10.470 -5.112 1.00 0.00 C ATOM 396 C GLY A 27 10.053 11.554 -4.063 1.00 0.00 C ATOM 397 O GLY A 27 11.116 11.983 -3.614 1.00 0.00 O ATOM 0 H GLY A 27 9.891 8.459 -4.560 1.00 0.00 H new ATOM 0 HA2 GLY A 27 11.062 10.192 -5.354 1.00 0.00 H new ATOM 0 HA3 GLY A 27 9.589 10.864 -6.025 1.00 0.00 H new ATOM 401 N ASP A 28 8.873 12.000 -3.678 1.00 0.00 N ATOM 402 CA ASP A 28 8.742 13.048 -2.680 1.00 0.00 C ATOM 403 C ASP A 28 7.489 12.851 -1.841 1.00 0.00 C ATOM 404 O ASP A 28 6.998 13.790 -1.214 1.00 0.00 O ATOM 405 CB ASP A 28 8.710 14.421 -3.354 1.00 0.00 C ATOM 406 CG ASP A 28 7.625 14.523 -4.408 1.00 0.00 C ATOM 407 OD1 ASP A 28 7.821 13.980 -5.516 1.00 0.00 O ATOM 408 OD2 ASP A 28 6.579 15.145 -4.126 1.00 0.00 O ATOM 0 H ASP A 28 7.986 11.652 -4.042 1.00 0.00 H new ATOM 0 HA ASP A 28 9.608 12.994 -2.020 1.00 0.00 H new ATOM 0 HB2 ASP A 28 8.552 15.190 -2.598 1.00 0.00 H new ATOM 0 HB3 ASP A 28 9.678 14.620 -3.813 1.00 0.00 H new ATOM 413 N ALA A 29 6.979 11.625 -1.818 1.00 0.00 N ATOM 414 CA ALA A 29 5.792 11.321 -1.035 1.00 0.00 C ATOM 415 C ALA A 29 6.054 10.131 -0.131 1.00 0.00 C ATOM 416 O ALA A 29 5.645 9.011 -0.427 1.00 0.00 O ATOM 417 CB ALA A 29 4.598 11.064 -1.943 1.00 0.00 C ATOM 0 H ALA A 29 7.367 10.832 -2.329 1.00 0.00 H new ATOM 0 HA ALA A 29 5.555 12.183 -0.411 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.721 10.839 -1.336 1.00 0.00 H new ATOM 0 HB2 ALA A 29 4.403 11.950 -2.547 1.00 0.00 H new ATOM 0 HB3 ALA A 29 4.813 10.219 -2.597 1.00 0.00 H new ATOM 423 N LYS A 30 6.755 10.385 0.966 1.00 0.00 N ATOM 424 CA LYS A 30 7.094 9.340 1.920 1.00 0.00 C ATOM 425 C LYS A 30 6.243 9.465 3.185 1.00 0.00 C ATOM 426 O LYS A 30 6.528 10.290 4.053 1.00 0.00 O ATOM 427 CB LYS A 30 8.584 9.422 2.272 1.00 0.00 C ATOM 428 CG LYS A 30 8.985 8.593 3.483 1.00 0.00 C ATOM 429 CD LYS A 30 10.497 8.477 3.600 1.00 0.00 C ATOM 430 CE LYS A 30 10.912 7.131 4.170 1.00 0.00 C ATOM 431 NZ LYS A 30 10.124 6.774 5.382 1.00 0.00 N ATOM 0 H LYS A 30 7.101 11.311 1.217 1.00 0.00 H new ATOM 0 HA LYS A 30 6.887 8.371 1.465 1.00 0.00 H new ATOM 0 HB2 LYS A 30 9.168 9.094 1.412 1.00 0.00 H new ATOM 0 HB3 LYS A 30 8.846 10.464 2.456 1.00 0.00 H new ATOM 0 HG2 LYS A 30 8.582 9.049 4.387 1.00 0.00 H new ATOM 0 HG3 LYS A 30 8.547 7.598 3.406 1.00 0.00 H new ATOM 0 HD2 LYS A 30 10.950 8.612 2.618 1.00 0.00 H new ATOM 0 HD3 LYS A 30 10.876 9.275 4.238 1.00 0.00 H new ATOM 0 HE2 LYS A 30 10.781 6.359 3.411 1.00 0.00 H new ATOM 0 HE3 LYS A 30 11.973 7.154 4.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 10.743 6.302 6.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 9.729 7.638 5.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 9.349 6.133 5.116 1.00 0.00 H new ATOM 445 N GLU A 31 5.203 8.644 3.282 1.00 0.00 N ATOM 446 CA GLU A 31 4.316 8.666 4.441 1.00 0.00 C ATOM 447 C GLU A 31 3.685 7.297 4.666 1.00 0.00 C ATOM 448 O GLU A 31 3.760 6.422 3.803 1.00 0.00 O ATOM 449 CB GLU A 31 3.220 9.720 4.254 1.00 0.00 C ATOM 450 CG GLU A 31 2.708 10.306 5.561 1.00 0.00 C ATOM 451 CD GLU A 31 2.905 11.807 5.646 1.00 0.00 C ATOM 452 OE1 GLU A 31 2.907 12.467 4.586 1.00 0.00 O ATOM 453 OE2 GLU A 31 3.059 12.323 6.773 1.00 0.00 O ATOM 0 H GLU A 31 4.953 7.955 2.573 1.00 0.00 H new ATOM 0 HA GLU A 31 4.911 8.923 5.317 1.00 0.00 H new ATOM 0 HB2 GLU A 31 3.606 10.527 3.631 1.00 0.00 H new ATOM 0 HB3 GLU A 31 2.385 9.272 3.715 1.00 0.00 H new ATOM 0 HG2 GLU A 31 1.648 10.076 5.667 1.00 0.00 H new ATOM 0 HG3 GLU A 31 3.222 9.828 6.395 1.00 0.00 H new ATOM 460 N GLU A 32 3.064 7.115 5.827 1.00 0.00 N ATOM 461 CA GLU A 32 2.423 5.847 6.153 1.00 0.00 C ATOM 462 C GLU A 32 1.098 5.701 5.424 1.00 0.00 C ATOM 463 O GLU A 32 0.592 6.654 4.831 1.00 0.00 O ATOM 464 CB GLU A 32 2.179 5.726 7.657 1.00 0.00 C ATOM 465 CG GLU A 32 3.385 5.223 8.433 1.00 0.00 C ATOM 466 CD GLU A 32 3.062 4.923 9.884 1.00 0.00 C ATOM 467 OE1 GLU A 32 2.412 5.767 10.535 1.00 0.00 O ATOM 468 OE2 GLU A 32 3.458 3.842 10.369 1.00 0.00 O ATOM 0 H GLU A 32 2.991 7.826 6.555 1.00 0.00 H new ATOM 0 HA GLU A 32 3.099 5.054 5.833 1.00 0.00 H new ATOM 0 HB2 GLU A 32 1.887 6.701 8.048 1.00 0.00 H new ATOM 0 HB3 GLU A 32 1.341 5.050 7.827 1.00 0.00 H new ATOM 0 HG2 GLU A 32 3.769 4.321 7.956 1.00 0.00 H new ATOM 0 HG3 GLU A 32 4.178 5.969 8.388 1.00 0.00 H new ATOM 475 N HIS A 33 0.535 4.503 5.485 1.00 0.00 N ATOM 476 CA HIS A 33 -0.742 4.232 4.844 1.00 0.00 C ATOM 477 C HIS A 33 -1.403 2.996 5.439 1.00 0.00 C ATOM 478 O HIS A 33 -0.732 2.099 5.947 1.00 0.00 O ATOM 479 CB HIS A 33 -0.567 4.053 3.336 1.00 0.00 C ATOM 480 CG HIS A 33 -1.867 3.957 2.600 1.00 0.00 C ATOM 481 ND1 HIS A 33 -2.790 4.981 2.567 1.00 0.00 N ATOM 482 CD2 HIS A 33 -2.403 2.948 1.873 1.00 0.00 C ATOM 483 CE1 HIS A 33 -3.838 4.605 1.855 1.00 0.00 C ATOM 484 NE2 HIS A 33 -3.627 3.376 1.423 1.00 0.00 N ATOM 0 H HIS A 33 0.942 3.704 5.971 1.00 0.00 H new ATOM 0 HA HIS A 33 -1.388 5.091 5.023 1.00 0.00 H new ATOM 0 HB2 HIS A 33 0.006 4.892 2.941 1.00 0.00 H new ATOM 0 HB3 HIS A 33 0.017 3.152 3.149 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -1.951 1.986 1.683 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -4.717 5.202 1.660 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -4.270 2.832 0.848 1.00 0.00 H new ATOM 493 N ARG A 34 -2.726 2.959 5.370 1.00 0.00 N ATOM 494 CA ARG A 34 -3.490 1.835 5.899 1.00 0.00 C ATOM 495 C ARG A 34 -3.953 0.908 4.776 1.00 0.00 C ATOM 496 O ARG A 34 -3.670 -0.290 4.794 1.00 0.00 O ATOM 497 CB ARG A 34 -4.701 2.335 6.683 1.00 0.00 C ATOM 498 CG ARG A 34 -4.403 3.530 7.574 1.00 0.00 C ATOM 499 CD ARG A 34 -3.523 3.140 8.751 1.00 0.00 C ATOM 500 NE ARG A 34 -4.191 2.195 9.643 1.00 0.00 N ATOM 501 CZ ARG A 34 -5.209 2.518 10.436 1.00 0.00 C ATOM 502 NH1 ARG A 34 -5.677 3.759 10.455 1.00 0.00 N ATOM 503 NH2 ARG A 34 -5.761 1.596 11.213 1.00 0.00 N ATOM 0 H ARG A 34 -3.295 3.695 4.952 1.00 0.00 H new ATOM 0 HA ARG A 34 -2.836 1.273 6.566 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -5.491 2.604 5.981 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -5.085 1.521 7.298 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -3.909 4.307 6.990 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -5.338 3.954 7.941 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -2.598 2.698 8.381 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -3.248 4.034 9.310 1.00 0.00 H new ATOM 0 HE ARG A 34 -3.857 1.231 9.659 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -5.256 4.472 9.859 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -6.458 4.000 11.065 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -5.405 0.640 11.202 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -6.542 1.843 11.821 1.00 0.00 H new ATOM 517 N ASN A 35 -4.666 1.467 3.801 1.00 0.00 N ATOM 518 CA ASN A 35 -5.165 0.681 2.676 1.00 0.00 C ATOM 519 C ASN A 35 -4.063 0.447 1.650 1.00 0.00 C ATOM 520 O ASN A 35 -4.108 0.965 0.534 1.00 0.00 O ATOM 521 CB ASN A 35 -6.364 1.371 2.021 1.00 0.00 C ATOM 522 CG ASN A 35 -7.614 0.512 2.051 1.00 0.00 C ATOM 523 OD1 ASN A 35 -7.854 -0.150 3.177 1.00 0.00 O flip ATOM 524 ND2 ASN A 35 -8.358 0.444 1.071 1.00 0.00 N flip ATOM 0 H ASN A 35 -4.910 2.457 3.767 1.00 0.00 H new ATOM 0 HA ASN A 35 -5.491 -0.286 3.059 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -6.562 2.313 2.533 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -6.119 1.615 0.987 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -8.137 0.969 0.225 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -9.195 -0.137 1.106 1.00 0.00 H new ATOM 531 N MET A 36 -3.073 -0.341 2.045 1.00 0.00 N ATOM 532 CA MET A 36 -1.952 -0.658 1.176 1.00 0.00 C ATOM 533 C MET A 36 -2.418 -1.363 -0.099 1.00 0.00 C ATOM 534 O MET A 36 -1.664 -1.462 -1.067 1.00 0.00 O ATOM 535 CB MET A 36 -0.934 -1.514 1.949 1.00 0.00 C ATOM 536 CG MET A 36 -0.518 -2.802 1.248 1.00 0.00 C ATOM 537 SD MET A 36 0.487 -3.870 2.299 1.00 0.00 S ATOM 538 CE MET A 36 1.983 -3.994 1.324 1.00 0.00 C ATOM 0 H MET A 36 -3.025 -0.774 2.967 1.00 0.00 H new ATOM 0 HA MET A 36 -1.471 0.270 0.866 1.00 0.00 H new ATOM 0 HB2 MET A 36 -0.043 -0.914 2.135 1.00 0.00 H new ATOM 0 HB3 MET A 36 -1.357 -1.767 2.921 1.00 0.00 H new ATOM 0 HG2 MET A 36 -1.410 -3.344 0.932 1.00 0.00 H new ATOM 0 HG3 MET A 36 0.042 -2.556 0.346 1.00 0.00 H new ATOM 0 HE1 MET A 36 2.225 -5.044 1.161 1.00 0.00 H new ATOM 0 HE2 MET A 36 1.832 -3.503 0.363 1.00 0.00 H new ATOM 0 HE3 MET A 36 2.804 -3.510 1.854 1.00 0.00 H new ATOM 548 N CYS A 37 -3.658 -1.852 -0.105 1.00 0.00 N ATOM 549 CA CYS A 37 -4.183 -2.534 -1.280 1.00 0.00 C ATOM 550 C CYS A 37 -4.660 -1.527 -2.322 1.00 0.00 C ATOM 551 O CYS A 37 -4.295 -1.616 -3.493 1.00 0.00 O ATOM 552 CB CYS A 37 -5.299 -3.525 -0.891 1.00 0.00 C ATOM 553 SG CYS A 37 -6.976 -2.815 -0.745 1.00 0.00 S ATOM 0 H CYS A 37 -4.307 -1.789 0.680 1.00 0.00 H new ATOM 0 HA CYS A 37 -3.376 -3.114 -1.729 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -5.326 -4.323 -1.633 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -5.035 -3.985 0.061 1.00 0.00 H new ATOM 558 N ALA A 38 -5.457 -0.557 -1.888 1.00 0.00 N ATOM 559 CA ALA A 38 -5.965 0.478 -2.786 1.00 0.00 C ATOM 560 C ALA A 38 -4.834 1.331 -3.336 1.00 0.00 C ATOM 561 O ALA A 38 -4.978 1.990 -4.366 1.00 0.00 O ATOM 562 CB ALA A 38 -6.986 1.347 -2.069 1.00 0.00 C ATOM 0 H ALA A 38 -5.766 -0.464 -0.920 1.00 0.00 H new ATOM 0 HA ALA A 38 -6.453 -0.015 -3.627 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -7.355 2.113 -2.751 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -7.818 0.729 -1.733 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -6.518 1.823 -1.208 1.00 0.00 H new ATOM 568 N LEU A 39 -3.708 1.310 -2.643 1.00 0.00 N ATOM 569 CA LEU A 39 -2.544 2.072 -3.049 1.00 0.00 C ATOM 570 C LEU A 39 -1.811 1.354 -4.165 1.00 0.00 C ATOM 571 O LEU A 39 -1.390 1.961 -5.149 1.00 0.00 O ATOM 572 CB LEU A 39 -1.614 2.224 -1.855 1.00 0.00 C ATOM 573 CG LEU A 39 -1.345 3.662 -1.409 1.00 0.00 C ATOM 574 CD1 LEU A 39 -2.648 4.371 -1.076 1.00 0.00 C ATOM 575 CD2 LEU A 39 -0.399 3.680 -0.218 1.00 0.00 C ATOM 0 H LEU A 39 -3.577 0.768 -1.789 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.862 3.051 -3.407 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.038 1.675 -1.014 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.661 1.753 -2.096 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.869 4.197 -2.231 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.436 5.393 -0.761 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -3.288 4.389 -1.958 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.155 3.841 -0.270 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.218 4.711 0.087 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.846 3.130 0.610 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.546 3.213 -0.496 1.00 0.00 H new ATOM 587 N CYS A 40 -1.654 0.054 -3.986 1.00 0.00 N ATOM 588 CA CYS A 40 -0.964 -0.772 -4.953 1.00 0.00 C ATOM 589 C CYS A 40 -1.722 -0.823 -6.267 1.00 0.00 C ATOM 590 O CYS A 40 -1.121 -0.805 -7.341 1.00 0.00 O ATOM 591 CB CYS A 40 -0.772 -2.179 -4.397 1.00 0.00 C ATOM 592 SG CYS A 40 0.965 -2.710 -4.353 1.00 0.00 S ATOM 0 H CYS A 40 -2.000 -0.453 -3.171 1.00 0.00 H new ATOM 0 HA CYS A 40 0.013 -0.329 -5.145 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -1.182 -2.222 -3.388 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -1.343 -2.882 -5.003 1.00 0.00 H new ATOM 597 N CYS A 41 -3.041 -0.884 -6.180 1.00 0.00 N ATOM 598 CA CYS A 41 -3.864 -0.936 -7.376 1.00 0.00 C ATOM 599 C CYS A 41 -3.893 0.418 -8.070 1.00 0.00 C ATOM 600 O CYS A 41 -3.892 0.505 -9.297 1.00 0.00 O ATOM 601 CB CYS A 41 -5.270 -1.391 -7.012 1.00 0.00 C ATOM 602 SG CYS A 41 -6.422 -0.068 -6.519 1.00 0.00 S ATOM 0 H CYS A 41 -3.560 -0.899 -5.302 1.00 0.00 H new ATOM 0 HA CYS A 41 -3.432 -1.655 -8.072 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -5.695 -1.918 -7.866 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -5.200 -2.110 -6.196 1.00 0.00 H new ATOM 607 N GLU A 42 -3.922 1.471 -7.265 1.00 0.00 N ATOM 608 CA GLU A 42 -3.957 2.836 -7.789 1.00 0.00 C ATOM 609 C GLU A 42 -2.559 3.334 -8.167 1.00 0.00 C ATOM 610 O GLU A 42 -2.419 4.373 -8.812 1.00 0.00 O ATOM 611 CB GLU A 42 -4.587 3.780 -6.765 1.00 0.00 C ATOM 612 CG GLU A 42 -6.085 3.581 -6.597 1.00 0.00 C ATOM 613 CD GLU A 42 -6.839 3.690 -7.909 1.00 0.00 C ATOM 614 OE1 GLU A 42 -6.353 4.399 -8.815 1.00 0.00 O ATOM 615 OE2 GLU A 42 -7.913 3.065 -8.030 1.00 0.00 O ATOM 0 H GLU A 42 -3.922 1.410 -6.247 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.565 2.825 -8.694 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -4.099 3.635 -5.801 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.397 4.810 -7.067 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -6.270 2.602 -6.156 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -6.470 4.323 -5.898 1.00 0.00 H new ATOM 622 N HIS A 43 -1.529 2.599 -7.757 1.00 0.00 N ATOM 623 CA HIS A 43 -0.149 2.978 -8.048 1.00 0.00 C ATOM 624 C HIS A 43 0.442 2.112 -9.159 1.00 0.00 C ATOM 625 O HIS A 43 -0.159 1.120 -9.574 1.00 0.00 O ATOM 626 CB HIS A 43 0.688 2.890 -6.772 1.00 0.00 C ATOM 627 CG HIS A 43 0.351 3.968 -5.791 1.00 0.00 C ATOM 628 ND1 HIS A 43 0.385 3.984 -4.437 1.00 0.00 N flip ATOM 629 CD2 HIS A 43 -0.096 5.214 -6.174 1.00 0.00 C flip ATOM 630 CE1 HIS A 43 -0.035 5.230 -4.034 1.00 0.00 C flip ATOM 631 NE2 HIS A 43 -0.319 5.951 -5.103 1.00 0.00 N flip ATOM 0 H HIS A 43 -1.624 1.736 -7.221 1.00 0.00 H new ATOM 0 HA HIS A 43 -0.137 4.008 -8.405 1.00 0.00 H new ATOM 0 HB2 HIS A 43 0.533 1.917 -6.306 1.00 0.00 H new ATOM 0 HB3 HIS A 43 1.745 2.955 -7.029 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -0.241 5.537 -7.194 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -0.119 5.564 -3.010 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -0.654 6.914 -5.101 1.00 0.00 H new ATOM 640 N PRO A 44 1.631 2.486 -9.662 1.00 0.00 N ATOM 641 CA PRO A 44 2.315 1.761 -10.735 1.00 0.00 C ATOM 642 C PRO A 44 2.959 0.479 -10.232 1.00 0.00 C ATOM 643 O PRO A 44 4.051 0.504 -9.663 1.00 0.00 O ATOM 644 CB PRO A 44 3.391 2.751 -11.221 1.00 0.00 C ATOM 645 CG PRO A 44 3.127 4.031 -10.489 1.00 0.00 C ATOM 646 CD PRO A 44 2.409 3.645 -9.230 1.00 0.00 C ATOM 0 HA PRO A 44 1.627 1.452 -11.521 1.00 0.00 H new ATOM 0 HB2 PRO A 44 4.392 2.377 -11.007 1.00 0.00 H new ATOM 0 HB3 PRO A 44 3.330 2.897 -12.299 1.00 0.00 H new ATOM 0 HG2 PRO A 44 4.058 4.551 -10.264 1.00 0.00 H new ATOM 0 HG3 PRO A 44 2.522 4.708 -11.092 1.00 0.00 H new ATOM 0 HD2 PRO A 44 3.102 3.394 -8.427 1.00 0.00 H new ATOM 0 HD3 PRO A 44 1.772 4.449 -8.862 1.00 0.00 H new ATOM 654 N GLY A 45 2.271 -0.641 -10.427 1.00 0.00 N ATOM 655 CA GLY A 45 2.793 -1.911 -9.964 1.00 0.00 C ATOM 656 C GLY A 45 3.061 -1.898 -8.471 1.00 0.00 C ATOM 657 O GLY A 45 3.824 -2.718 -7.961 1.00 0.00 O ATOM 0 H GLY A 45 1.366 -0.691 -10.895 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.083 -2.704 -10.199 1.00 0.00 H new ATOM 0 HA3 GLY A 45 3.715 -2.141 -10.497 1.00 0.00 H new ATOM 661 N GLY A 46 2.427 -0.959 -7.771 1.00 0.00 N ATOM 662 CA GLY A 46 2.609 -0.850 -6.339 1.00 0.00 C ATOM 663 C GLY A 46 3.691 0.141 -5.959 1.00 0.00 C ATOM 664 O GLY A 46 4.876 -0.122 -6.160 1.00 0.00 O ATOM 0 H GLY A 46 1.790 -0.272 -8.174 1.00 0.00 H new ATOM 0 HA2 GLY A 46 1.668 -0.548 -5.880 1.00 0.00 H new ATOM 0 HA3 GLY A 46 2.861 -1.830 -5.934 1.00 0.00 H new ATOM 668 N PHE A 47 3.289 1.280 -5.392 1.00 0.00 N ATOM 669 CA PHE A 47 4.251 2.296 -4.969 1.00 0.00 C ATOM 670 C PHE A 47 5.321 1.656 -4.096 1.00 0.00 C ATOM 671 O PHE A 47 5.232 0.471 -3.775 1.00 0.00 O ATOM 672 CB PHE A 47 3.545 3.426 -4.204 1.00 0.00 C ATOM 673 CG PHE A 47 3.213 4.641 -5.039 1.00 0.00 C ATOM 674 CD1 PHE A 47 3.377 4.639 -6.416 1.00 0.00 C ATOM 675 CD2 PHE A 47 2.732 5.791 -4.434 1.00 0.00 C ATOM 676 CE1 PHE A 47 3.070 5.758 -7.169 1.00 0.00 C ATOM 677 CE2 PHE A 47 2.425 6.913 -5.181 1.00 0.00 C ATOM 678 CZ PHE A 47 2.595 6.896 -6.551 1.00 0.00 C ATOM 0 H PHE A 47 2.313 1.520 -5.217 1.00 0.00 H new ATOM 0 HA PHE A 47 4.720 2.726 -5.854 1.00 0.00 H new ATOM 0 HB2 PHE A 47 2.623 3.035 -3.774 1.00 0.00 H new ATOM 0 HB3 PHE A 47 4.179 3.735 -3.373 1.00 0.00 H new ATOM 0 HD1 PHE A 47 3.749 3.752 -6.907 1.00 0.00 H new ATOM 0 HD2 PHE A 47 2.595 5.811 -3.363 1.00 0.00 H new ATOM 0 HE1 PHE A 47 3.202 5.741 -8.241 1.00 0.00 H new ATOM 0 HE2 PHE A 47 2.053 7.802 -4.693 1.00 0.00 H new ATOM 0 HZ PHE A 47 2.357 7.771 -7.137 1.00 0.00 H new ATOM 688 N GLU A 48 6.329 2.425 -3.708 1.00 0.00 N ATOM 689 CA GLU A 48 7.393 1.862 -2.873 1.00 0.00 C ATOM 690 C GLU A 48 7.075 2.041 -1.399 1.00 0.00 C ATOM 691 O GLU A 48 7.331 3.089 -0.811 1.00 0.00 O ATOM 692 CB GLU A 48 8.777 2.459 -3.192 1.00 0.00 C ATOM 693 CG GLU A 48 8.769 3.706 -4.067 1.00 0.00 C ATOM 694 CD GLU A 48 9.919 3.727 -5.054 1.00 0.00 C ATOM 695 OE1 GLU A 48 10.926 3.030 -4.808 1.00 0.00 O ATOM 696 OE2 GLU A 48 9.813 4.438 -6.075 1.00 0.00 O ATOM 0 H GLU A 48 6.437 3.411 -3.946 1.00 0.00 H new ATOM 0 HA GLU A 48 7.438 0.798 -3.105 1.00 0.00 H new ATOM 0 HB2 GLU A 48 9.275 2.699 -2.252 1.00 0.00 H new ATOM 0 HB3 GLU A 48 9.378 1.695 -3.685 1.00 0.00 H new ATOM 0 HG2 GLU A 48 7.826 3.759 -4.611 1.00 0.00 H new ATOM 0 HG3 GLU A 48 8.821 4.591 -3.433 1.00 0.00 H new ATOM 703 N TYR A 49 6.521 0.991 -0.813 1.00 0.00 N ATOM 704 CA TYR A 49 6.156 0.989 0.599 1.00 0.00 C ATOM 705 C TYR A 49 7.062 0.082 1.394 1.00 0.00 C ATOM 706 O TYR A 49 7.764 -0.767 0.849 1.00 0.00 O ATOM 707 CB TYR A 49 4.729 0.534 0.771 1.00 0.00 C ATOM 708 CG TYR A 49 4.400 -0.706 0.005 1.00 0.00 C ATOM 709 CD1 TYR A 49 4.711 -1.949 0.522 1.00 0.00 C ATOM 710 CD2 TYR A 49 3.781 -0.634 -1.230 1.00 0.00 C ATOM 711 CE1 TYR A 49 4.416 -3.095 -0.171 1.00 0.00 C ATOM 712 CE2 TYR A 49 3.480 -1.775 -1.934 1.00 0.00 C ATOM 713 CZ TYR A 49 3.799 -3.004 -1.401 1.00 0.00 C ATOM 714 OH TYR A 49 3.500 -4.142 -2.095 1.00 0.00 O ATOM 0 H TYR A 49 6.312 0.119 -1.298 1.00 0.00 H new ATOM 0 HA TYR A 49 6.264 2.009 0.969 1.00 0.00 H new ATOM 0 HB2 TYR A 49 4.537 0.359 1.830 1.00 0.00 H new ATOM 0 HB3 TYR A 49 4.061 1.335 0.455 1.00 0.00 H new ATOM 0 HD1 TYR A 49 5.193 -2.019 1.486 1.00 0.00 H new ATOM 0 HD2 TYR A 49 3.531 0.331 -1.646 1.00 0.00 H new ATOM 0 HE1 TYR A 49 4.665 -4.061 0.243 1.00 0.00 H new ATOM 0 HE2 TYR A 49 2.997 -1.708 -2.898 1.00 0.00 H new ATOM 0 HH TYR A 49 2.573 -4.402 -1.912 1.00 0.00 H new ATOM 724 N SER A 50 7.024 0.264 2.692 1.00 0.00 N ATOM 725 CA SER A 50 7.824 -0.539 3.592 1.00 0.00 C ATOM 726 C SER A 50 7.026 -0.858 4.837 1.00 0.00 C ATOM 727 O SER A 50 6.990 -0.074 5.786 1.00 0.00 O ATOM 728 CB SER A 50 9.112 0.185 3.954 1.00 0.00 C ATOM 729 OG SER A 50 8.945 1.591 3.897 1.00 0.00 O ATOM 0 H SER A 50 6.444 0.965 3.153 1.00 0.00 H new ATOM 0 HA SER A 50 8.089 -1.471 3.093 1.00 0.00 H new ATOM 0 HB2 SER A 50 9.426 -0.106 4.956 1.00 0.00 H new ATOM 0 HB3 SER A 50 9.906 -0.117 3.271 1.00 0.00 H new ATOM 0 HG SER A 50 9.788 2.030 4.136 1.00 0.00 H new ATOM 735 N ASN A 51 6.369 -2.007 4.819 1.00 0.00 N ATOM 736 CA ASN A 51 5.547 -2.425 5.941 1.00 0.00 C ATOM 737 C ASN A 51 6.298 -2.278 7.254 1.00 0.00 C ATOM 738 O ASN A 51 7.449 -2.695 7.383 1.00 0.00 O ATOM 739 CB ASN A 51 5.070 -3.862 5.771 1.00 0.00 C ATOM 740 CG ASN A 51 4.403 -4.096 4.430 1.00 0.00 C ATOM 741 OD1 ASN A 51 5.006 -3.882 3.378 1.00 0.00 O ATOM 742 ND2 ASN A 51 3.152 -4.538 4.460 1.00 0.00 N ATOM 0 H ASN A 51 6.390 -2.665 4.040 1.00 0.00 H new ATOM 0 HA ASN A 51 4.674 -1.772 5.965 1.00 0.00 H new ATOM 0 HB2 ASN A 51 5.919 -4.538 5.874 1.00 0.00 H new ATOM 0 HB3 ASN A 51 4.369 -4.106 6.569 1.00 0.00 H new ATOM 0 HD21 ASN A 51 2.652 -4.714 3.588 1.00 0.00 H new ATOM 0 HD22 ASN A 51 2.690 -4.702 5.355 1.00 0.00 H new ATOM 749 N GLY A 52 5.629 -1.673 8.218 1.00 0.00 N ATOM 750 CA GLY A 52 6.229 -1.460 9.523 1.00 0.00 C ATOM 751 C GLY A 52 6.069 -0.030 10.011 1.00 0.00 C ATOM 752 O GLY A 52 5.600 0.832 9.269 1.00 0.00 O ATOM 0 H GLY A 52 4.676 -1.322 8.124 1.00 0.00 H new ATOM 0 HA2 GLY A 52 5.774 -2.139 10.244 1.00 0.00 H new ATOM 0 HA3 GLY A 52 7.289 -1.708 9.477 1.00 0.00 H new ATOM 756 N PRO A 53 6.450 0.251 11.271 1.00 0.00 N ATOM 757 CA PRO A 53 6.337 1.594 11.854 1.00 0.00 C ATOM 758 C PRO A 53 7.354 2.573 11.274 1.00 0.00 C ATOM 759 O PRO A 53 8.477 2.195 10.944 1.00 0.00 O ATOM 760 CB PRO A 53 6.616 1.357 13.339 1.00 0.00 C ATOM 761 CG PRO A 53 7.475 0.141 13.371 1.00 0.00 C ATOM 762 CD PRO A 53 7.015 -0.720 12.227 1.00 0.00 C ATOM 0 HA PRO A 53 5.365 2.043 11.650 1.00 0.00 H new ATOM 0 HB2 PRO A 53 7.122 2.211 13.789 1.00 0.00 H new ATOM 0 HB3 PRO A 53 5.692 1.204 13.896 1.00 0.00 H new ATOM 0 HG2 PRO A 53 8.527 0.404 13.263 1.00 0.00 H new ATOM 0 HG3 PRO A 53 7.373 -0.384 14.321 1.00 0.00 H new ATOM 0 HD2 PRO A 53 7.841 -1.280 11.789 1.00 0.00 H new ATOM 0 HD3 PRO A 53 6.270 -1.448 12.547 1.00 0.00 H new ATOM 770 N CYS A 54 6.950 3.835 11.156 1.00 0.00 N ATOM 771 CA CYS A 54 7.824 4.870 10.619 1.00 0.00 C ATOM 772 C CYS A 54 7.245 6.262 10.867 1.00 0.00 C ATOM 773 O CYS A 54 7.969 7.191 11.222 1.00 0.00 O ATOM 774 CB CYS A 54 8.045 4.648 9.122 1.00 0.00 C ATOM 775 SG CYS A 54 6.583 4.989 8.089 1.00 0.00 S ATOM 0 H CYS A 54 6.023 4.164 11.425 1.00 0.00 H new ATOM 0 HA CYS A 54 8.783 4.806 11.134 1.00 0.00 H new ATOM 0 HB2 CYS A 54 8.866 5.283 8.790 1.00 0.00 H new ATOM 0 HB3 CYS A 54 8.356 3.616 8.962 1.00 0.00 H new ATOM 780 N GLU A 55 5.935 6.399 10.676 1.00 0.00 N ATOM 781 CA GLU A 55 5.261 7.678 10.876 1.00 0.00 C ATOM 782 C GLU A 55 4.282 7.602 12.044 1.00 0.00 C ATOM 783 O GLU A 55 3.995 6.476 12.502 1.00 0.00 O ATOM 784 CB GLU A 55 4.522 8.095 9.603 1.00 0.00 C ATOM 785 CG GLU A 55 4.446 9.601 9.409 1.00 0.00 C ATOM 786 CD GLU A 55 5.775 10.202 8.993 1.00 0.00 C ATOM 787 OE1 GLU A 55 6.609 10.469 9.883 1.00 0.00 O ATOM 788 OE2 GLU A 55 5.981 10.404 7.778 1.00 0.00 O ATOM 789 OXT GLU A 55 3.811 8.670 12.490 1.00 0.00 O ATOM 0 H GLU A 55 5.320 5.640 10.383 1.00 0.00 H new ATOM 0 HA GLU A 55 6.019 8.426 11.109 1.00 0.00 H new ATOM 0 HB2 GLU A 55 5.021 7.651 8.741 1.00 0.00 H new ATOM 0 HB3 GLU A 55 3.511 7.689 9.630 1.00 0.00 H new ATOM 0 HG2 GLU A 55 3.695 9.829 8.652 1.00 0.00 H new ATOM 0 HG3 GLU A 55 4.115 10.067 10.337 1.00 0.00 H new TER 796 GLU A 55