USER MOD reduce.3.24.130724 H: found=0, std=0, add=461, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 460 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 40 SER OG : rot 93:sc= 0.165 USER MOD Set 1.2: A 43 GLN : amide:sc= 0.15 K(o=0.31,f=-0.37) USER MOD Set 2.1: A 3 TYR OH : rot 180:sc= 0.204 USER MOD Set 2.2: A 4 LYS NZ :NH3+ -144:sc= 0.295 (180deg=0) USER MOD Single : A 1 GLN : amide:sc= 0.562 K(o=0.56,f=-4.9!) USER MOD Single : A 1 GLN N :NH3+ 153:sc= 0.957 (180deg=0.62) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc=-0.00476 X(o=-0.0048,f=-0.0048) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 170:sc= 0.136 USER MOD Single : A 56 HIS : no HE2:sc= -0.175 K(o=-0.17,f=-0.79) USER MOD Single : A 59 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000603) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= -0.0778 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 -7.557 -18.640 40.072 1.00 0.00 N ATOM 2 CA GLN A 1 -7.352 -18.372 41.529 1.00 0.00 C ATOM 3 C GLN A 1 -6.125 -19.134 42.042 1.00 0.00 C ATOM 4 O GLN A 1 -5.511 -19.894 41.318 1.00 0.00 O ATOM 5 CB GLN A 1 -8.622 -18.880 42.222 1.00 0.00 C ATOM 6 CG GLN A 1 -9.711 -17.802 42.164 1.00 0.00 C ATOM 7 CD GLN A 1 -10.707 -18.137 41.050 1.00 0.00 C ATOM 8 OE1 GLN A 1 -10.356 -18.134 39.886 1.00 0.00 O ATOM 9 NE2 GLN A 1 -11.943 -18.427 41.356 1.00 0.00 N ATOM 0 H1 GLN A 1 -8.564 -18.530 39.837 1.00 0.00 H new ATOM 0 H2 GLN A 1 -6.995 -17.967 39.513 1.00 0.00 H new ATOM 0 H3 GLN A 1 -7.254 -19.610 39.852 1.00 0.00 H new ATOM 0 HA GLN A 1 -7.179 -17.314 41.726 1.00 0.00 H new ATOM 0 HB2 GLN A 1 -8.973 -19.791 41.737 1.00 0.00 H new ATOM 0 HB3 GLN A 1 -8.404 -19.135 43.259 1.00 0.00 H new ATOM 0 HG2 GLN A 1 -10.228 -17.741 43.122 1.00 0.00 H new ATOM 0 HG3 GLN A 1 -9.261 -16.826 41.982 1.00 0.00 H new ATOM 0 HE21 GLN A 1 -12.239 -18.430 42.332 1.00 0.00 H new ATOM 0 HE22 GLN A 1 -12.612 -18.650 40.619 1.00 0.00 H new ATOM 20 N VAL A 2 -5.776 -18.926 43.294 1.00 0.00 N ATOM 21 CA VAL A 2 -4.589 -19.621 43.906 1.00 0.00 C ATOM 22 C VAL A 2 -3.286 -19.199 43.204 1.00 0.00 C ATOM 23 O VAL A 2 -3.297 -18.685 42.101 1.00 0.00 O ATOM 24 CB VAL A 2 -4.843 -21.129 43.730 1.00 0.00 C ATOM 25 CG1 VAL A 2 -3.745 -21.926 44.439 1.00 0.00 C ATOM 26 CG2 VAL A 2 -6.201 -21.498 44.337 1.00 0.00 C ATOM 0 H VAL A 2 -6.269 -18.296 43.927 1.00 0.00 H new ATOM 0 HA VAL A 2 -4.474 -19.359 44.958 1.00 0.00 H new ATOM 0 HB VAL A 2 -4.839 -21.367 42.666 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -3.930 -22.993 44.311 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -2.776 -21.671 44.010 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -3.747 -21.682 45.501 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -6.378 -22.566 44.211 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -6.204 -21.253 45.399 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -6.989 -20.938 43.833 1.00 0.00 H new ATOM 36 N TYR A 3 -2.162 -19.416 43.841 1.00 0.00 N ATOM 37 CA TYR A 3 -0.860 -19.037 43.216 1.00 0.00 C ATOM 38 C TYR A 3 -0.396 -20.138 42.253 1.00 0.00 C ATOM 39 O TYR A 3 -0.552 -21.315 42.522 1.00 0.00 O ATOM 40 CB TYR A 3 0.121 -18.890 44.385 1.00 0.00 C ATOM 41 CG TYR A 3 1.383 -18.216 43.901 1.00 0.00 C ATOM 42 CD1 TYR A 3 1.428 -16.823 43.772 1.00 0.00 C ATOM 43 CD2 TYR A 3 2.506 -18.987 43.579 1.00 0.00 C ATOM 44 CE1 TYR A 3 2.596 -16.202 43.317 1.00 0.00 C ATOM 45 CE2 TYR A 3 3.674 -18.364 43.126 1.00 0.00 C ATOM 46 CZ TYR A 3 3.719 -16.972 42.995 1.00 0.00 C ATOM 47 OH TYR A 3 4.869 -16.359 42.543 1.00 0.00 O ATOM 0 H TYR A 3 -2.091 -19.839 44.766 1.00 0.00 H new ATOM 0 HA TYR A 3 -0.934 -18.118 42.635 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -0.334 -18.304 45.184 1.00 0.00 H new ATOM 0 HB3 TYR A 3 0.356 -19.869 44.802 1.00 0.00 H new ATOM 0 HD1 TYR A 3 0.562 -16.228 44.023 1.00 0.00 H new ATOM 0 HD2 TYR A 3 2.471 -20.062 43.680 1.00 0.00 H new ATOM 0 HE1 TYR A 3 2.631 -15.127 43.214 1.00 0.00 H new ATOM 0 HE2 TYR A 3 4.541 -18.958 42.877 1.00 0.00 H new ATOM 0 HH TYR A 3 5.554 -17.038 42.366 1.00 0.00 H new ATOM 57 N LYS A 4 0.169 -19.761 41.133 1.00 0.00 N ATOM 58 CA LYS A 4 0.643 -20.779 40.142 1.00 0.00 C ATOM 59 C LYS A 4 1.904 -21.490 40.657 1.00 0.00 C ATOM 60 O LYS A 4 2.696 -20.924 41.387 1.00 0.00 O ATOM 61 CB LYS A 4 0.938 -19.992 38.855 1.00 0.00 C ATOM 62 CG LYS A 4 2.158 -19.079 39.051 1.00 0.00 C ATOM 63 CD LYS A 4 1.758 -17.620 38.807 1.00 0.00 C ATOM 64 CE LYS A 4 2.113 -16.776 40.037 1.00 0.00 C ATOM 65 NZ LYS A 4 3.444 -16.173 39.730 1.00 0.00 N ATOM 0 H LYS A 4 0.323 -18.790 40.861 1.00 0.00 H new ATOM 0 HA LYS A 4 -0.101 -21.558 39.972 1.00 0.00 H new ATOM 0 HB2 LYS A 4 1.122 -20.684 38.033 1.00 0.00 H new ATOM 0 HB3 LYS A 4 0.069 -19.394 38.580 1.00 0.00 H new ATOM 0 HG2 LYS A 4 2.551 -19.194 40.061 1.00 0.00 H new ATOM 0 HG3 LYS A 4 2.954 -19.367 38.364 1.00 0.00 H new ATOM 0 HD2 LYS A 4 2.273 -17.234 37.927 1.00 0.00 H new ATOM 0 HD3 LYS A 4 0.689 -17.555 38.605 1.00 0.00 H new ATOM 0 HE2 LYS A 4 1.363 -16.005 40.215 1.00 0.00 H new ATOM 0 HE3 LYS A 4 2.157 -17.390 40.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 4.012 -16.123 40.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 3.937 -16.760 39.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 3.311 -15.215 39.348 1.00 0.00 H new ATOM 79 N GLY A 5 2.091 -22.730 40.280 1.00 0.00 N ATOM 80 CA GLY A 5 3.292 -23.486 40.740 1.00 0.00 C ATOM 81 C GLY A 5 4.318 -23.573 39.606 1.00 0.00 C ATOM 82 O GLY A 5 4.319 -22.766 38.694 1.00 0.00 O ATOM 0 H GLY A 5 1.460 -23.252 39.671 1.00 0.00 H new ATOM 0 HA2 GLY A 5 3.734 -22.992 41.605 1.00 0.00 H new ATOM 0 HA3 GLY A 5 3.002 -24.488 41.058 1.00 0.00 H new ATOM 86 N GLY A 6 5.193 -24.547 39.658 1.00 0.00 N ATOM 87 CA GLY A 6 6.223 -24.696 38.590 1.00 0.00 C ATOM 88 C GLY A 6 7.474 -23.895 38.961 1.00 0.00 C ATOM 89 O GLY A 6 7.474 -22.678 38.921 1.00 0.00 O ATOM 0 H GLY A 6 5.236 -25.247 40.399 1.00 0.00 H new ATOM 0 HA2 GLY A 6 6.478 -25.748 38.462 1.00 0.00 H new ATOM 0 HA3 GLY A 6 5.825 -24.346 37.637 1.00 0.00 H new ATOM 93 N TYR A 7 8.541 -24.570 39.318 1.00 0.00 N ATOM 94 CA TYR A 7 9.800 -23.853 39.690 1.00 0.00 C ATOM 95 C TYR A 7 10.358 -23.099 38.476 1.00 0.00 C ATOM 96 O TYR A 7 10.641 -23.691 37.449 1.00 0.00 O ATOM 97 CB TYR A 7 10.772 -24.949 40.141 1.00 0.00 C ATOM 98 CG TYR A 7 12.120 -24.338 40.440 1.00 0.00 C ATOM 99 CD1 TYR A 7 12.339 -23.681 41.658 1.00 0.00 C ATOM 100 CD2 TYR A 7 13.151 -24.423 39.495 1.00 0.00 C ATOM 101 CE1 TYR A 7 13.587 -23.110 41.930 1.00 0.00 C ATOM 102 CE2 TYR A 7 14.398 -23.852 39.768 1.00 0.00 C ATOM 103 CZ TYR A 7 14.616 -23.195 40.985 1.00 0.00 C ATOM 104 OH TYR A 7 15.845 -22.631 41.253 1.00 0.00 O ATOM 0 H TYR A 7 8.593 -25.587 39.368 1.00 0.00 H new ATOM 0 HA TYR A 7 9.636 -23.114 40.474 1.00 0.00 H new ATOM 0 HB2 TYR A 7 10.384 -25.451 41.027 1.00 0.00 H new ATOM 0 HB3 TYR A 7 10.869 -25.706 39.363 1.00 0.00 H new ATOM 0 HD1 TYR A 7 11.545 -23.615 42.387 1.00 0.00 H new ATOM 0 HD2 TYR A 7 12.983 -24.929 38.556 1.00 0.00 H new ATOM 0 HE1 TYR A 7 13.756 -22.604 42.869 1.00 0.00 H new ATOM 0 HE2 TYR A 7 15.193 -23.918 39.040 1.00 0.00 H new ATOM 0 HH TYR A 7 16.446 -22.781 40.494 1.00 0.00 H new ATOM 114 N ALA A 8 10.509 -21.798 38.591 1.00 0.00 N ATOM 115 CA ALA A 8 11.040 -20.979 37.453 1.00 0.00 C ATOM 116 C ALA A 8 10.220 -21.227 36.176 1.00 0.00 C ATOM 117 O ALA A 8 10.737 -21.169 35.075 1.00 0.00 O ATOM 118 CB ALA A 8 12.490 -21.442 37.267 1.00 0.00 C ATOM 0 H ALA A 8 10.285 -21.266 39.432 1.00 0.00 H new ATOM 0 HA ALA A 8 10.978 -19.910 37.657 1.00 0.00 H new ATOM 0 HB1 ALA A 8 12.947 -20.886 36.449 1.00 0.00 H new ATOM 0 HB2 ALA A 8 13.050 -21.263 38.185 1.00 0.00 H new ATOM 0 HB3 ALA A 8 12.505 -22.507 37.035 1.00 0.00 H new ATOM 124 N ARG A 9 8.945 -21.508 36.316 1.00 0.00 N ATOM 125 CA ARG A 9 8.095 -21.766 35.125 1.00 0.00 C ATOM 126 C ARG A 9 6.793 -20.955 35.215 1.00 0.00 C ATOM 127 O ARG A 9 5.826 -21.398 35.810 1.00 0.00 O ATOM 128 CB ARG A 9 7.814 -23.269 35.174 1.00 0.00 C ATOM 129 CG ARG A 9 8.746 -23.994 34.200 1.00 0.00 C ATOM 130 CD ARG A 9 9.071 -25.391 34.742 1.00 0.00 C ATOM 131 NE ARG A 9 8.908 -26.307 33.578 1.00 0.00 N ATOM 132 CZ ARG A 9 7.740 -26.829 33.313 1.00 0.00 C ATOM 133 NH1 ARG A 9 7.387 -27.955 33.877 1.00 0.00 N ATOM 134 NH2 ARG A 9 6.927 -26.223 32.487 1.00 0.00 N ATOM 0 H ARG A 9 8.461 -21.568 37.212 1.00 0.00 H new ATOM 0 HA ARG A 9 8.575 -21.472 34.192 1.00 0.00 H new ATOM 0 HB2 ARG A 9 7.964 -23.645 36.186 1.00 0.00 H new ATOM 0 HB3 ARG A 9 6.774 -23.464 34.912 1.00 0.00 H new ATOM 0 HG2 ARG A 9 8.274 -24.074 33.221 1.00 0.00 H new ATOM 0 HG3 ARG A 9 9.664 -23.422 34.066 1.00 0.00 H new ATOM 0 HD2 ARG A 9 10.086 -25.434 35.138 1.00 0.00 H new ATOM 0 HD3 ARG A 9 8.399 -25.664 35.556 1.00 0.00 H new ATOM 0 HE ARG A 9 9.710 -26.527 32.987 1.00 0.00 H new ATOM 0 HH11 ARG A 9 8.023 -28.424 34.522 1.00 0.00 H new ATOM 0 HH12 ARG A 9 6.476 -28.364 33.672 1.00 0.00 H new ATOM 0 HH21 ARG A 9 7.205 -25.344 32.051 1.00 0.00 H new ATOM 0 HH22 ARG A 9 6.015 -26.629 32.279 1.00 0.00 H new ATOM 148 N PRO A 10 6.816 -19.786 34.620 1.00 0.00 N ATOM 149 CA PRO A 10 5.623 -18.896 34.631 1.00 0.00 C ATOM 150 C PRO A 10 4.521 -19.442 33.710 1.00 0.00 C ATOM 151 O PRO A 10 4.795 -20.073 32.704 1.00 0.00 O ATOM 152 CB PRO A 10 6.163 -17.568 34.103 1.00 0.00 C ATOM 153 CG PRO A 10 7.363 -17.931 33.288 1.00 0.00 C ATOM 154 CD PRO A 10 7.941 -19.185 33.889 1.00 0.00 C ATOM 0 HA PRO A 10 5.169 -18.809 35.618 1.00 0.00 H new ATOM 0 HB2 PRO A 10 5.417 -17.052 33.498 1.00 0.00 H new ATOM 0 HB3 PRO A 10 6.430 -16.898 34.920 1.00 0.00 H new ATOM 0 HG2 PRO A 10 7.087 -18.095 32.246 1.00 0.00 H new ATOM 0 HG3 PRO A 10 8.096 -17.124 33.300 1.00 0.00 H new ATOM 0 HD2 PRO A 10 8.321 -19.857 33.119 1.00 0.00 H new ATOM 0 HD3 PRO A 10 8.774 -18.960 34.555 1.00 0.00 H new ATOM 162 N ILE A 11 3.278 -19.196 34.047 1.00 0.00 N ATOM 163 CA ILE A 11 2.151 -19.691 33.196 1.00 0.00 C ATOM 164 C ILE A 11 1.787 -18.644 32.129 1.00 0.00 C ATOM 165 O ILE A 11 1.446 -17.522 32.453 1.00 0.00 O ATOM 166 CB ILE A 11 0.965 -19.936 34.151 1.00 0.00 C ATOM 167 CG1 ILE A 11 0.710 -18.700 35.029 1.00 0.00 C ATOM 168 CG2 ILE A 11 1.271 -21.139 35.047 1.00 0.00 C ATOM 169 CD1 ILE A 11 -0.794 -18.433 35.117 1.00 0.00 C ATOM 0 H ILE A 11 2.995 -18.673 34.876 1.00 0.00 H new ATOM 0 HA ILE A 11 2.422 -20.604 32.666 1.00 0.00 H new ATOM 0 HB ILE A 11 0.074 -20.132 33.555 1.00 0.00 H new ATOM 0 HG12 ILE A 11 1.120 -18.859 36.026 1.00 0.00 H new ATOM 0 HG13 ILE A 11 1.219 -17.832 34.610 1.00 0.00 H new ATOM 0 HG21 ILE A 11 0.433 -21.312 35.722 1.00 0.00 H new ATOM 0 HG22 ILE A 11 1.428 -22.023 34.429 1.00 0.00 H new ATOM 0 HG23 ILE A 11 2.171 -20.940 35.629 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -0.972 -17.556 35.740 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.191 -18.255 34.118 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -1.292 -19.297 35.556 1.00 0.00 H new ATOM 181 N PRO A 12 1.877 -19.049 30.883 1.00 0.00 N ATOM 182 CA PRO A 12 1.555 -18.135 29.754 1.00 0.00 C ATOM 183 C PRO A 12 0.036 -17.916 29.648 1.00 0.00 C ATOM 184 O PRO A 12 -0.627 -18.483 28.797 1.00 0.00 O ATOM 185 CB PRO A 12 2.091 -18.878 28.530 1.00 0.00 C ATOM 186 CG PRO A 12 2.091 -20.322 28.921 1.00 0.00 C ATOM 187 CD PRO A 12 2.287 -20.379 30.413 1.00 0.00 C ATOM 0 HA PRO A 12 1.991 -17.142 29.869 1.00 0.00 H new ATOM 0 HB2 PRO A 12 1.461 -18.706 27.657 1.00 0.00 H new ATOM 0 HB3 PRO A 12 3.094 -18.539 28.271 1.00 0.00 H new ATOM 0 HG2 PRO A 12 1.152 -20.797 28.638 1.00 0.00 H new ATOM 0 HG3 PRO A 12 2.888 -20.860 28.407 1.00 0.00 H new ATOM 0 HD2 PRO A 12 1.681 -21.165 30.864 1.00 0.00 H new ATOM 0 HD3 PRO A 12 3.325 -20.589 30.670 1.00 0.00 H new ATOM 195 N ARG A 13 -0.517 -17.096 30.507 1.00 0.00 N ATOM 196 CA ARG A 13 -1.988 -16.835 30.465 1.00 0.00 C ATOM 197 C ARG A 13 -2.335 -15.900 29.293 1.00 0.00 C ATOM 198 O ARG A 13 -1.595 -14.981 28.995 1.00 0.00 O ATOM 199 CB ARG A 13 -2.331 -16.181 31.813 1.00 0.00 C ATOM 200 CG ARG A 13 -1.594 -14.843 31.962 1.00 0.00 C ATOM 201 CD ARG A 13 -0.853 -14.809 33.304 1.00 0.00 C ATOM 202 NE ARG A 13 -1.825 -14.218 34.269 1.00 0.00 N ATOM 203 CZ ARG A 13 -1.691 -12.978 34.660 1.00 0.00 C ATOM 204 NH1 ARG A 13 -2.268 -12.017 33.985 1.00 0.00 N ATOM 205 NH2 ARG A 13 -0.982 -12.698 35.722 1.00 0.00 N ATOM 0 H ARG A 13 -0.011 -16.595 31.237 1.00 0.00 H new ATOM 0 HA ARG A 13 -2.559 -17.751 30.312 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -3.407 -16.021 31.883 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -2.054 -16.849 32.629 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -0.888 -14.712 31.142 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -2.304 -14.018 31.906 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -0.550 -15.810 33.613 1.00 0.00 H new ATOM 0 HD3 ARG A 13 0.053 -14.207 33.239 1.00 0.00 H new ATOM 0 HE ARG A 13 -2.596 -14.783 34.625 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -2.821 -12.237 33.156 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -2.165 -11.048 34.288 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -0.532 -13.448 36.247 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -0.879 -11.730 36.025 1.00 0.00 H new ATOM 219 N PRO A 14 -3.455 -16.174 28.666 1.00 0.00 N ATOM 220 CA PRO A 14 -3.912 -15.355 27.512 1.00 0.00 C ATOM 221 C PRO A 14 -4.413 -13.979 27.984 1.00 0.00 C ATOM 222 O PRO A 14 -5.418 -13.888 28.666 1.00 0.00 O ATOM 223 CB PRO A 14 -5.053 -16.180 26.919 1.00 0.00 C ATOM 224 CG PRO A 14 -5.556 -17.018 28.051 1.00 0.00 C ATOM 225 CD PRO A 14 -4.389 -17.266 28.971 1.00 0.00 C ATOM 0 HA PRO A 14 -3.119 -15.151 26.792 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -5.840 -15.538 26.524 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -4.704 -16.801 26.094 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -6.362 -16.508 28.579 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -5.963 -17.960 27.682 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -4.695 -17.248 30.017 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -3.937 -18.241 28.788 1.00 0.00 H new ATOM 233 N PRO A 15 -3.691 -12.948 27.603 1.00 0.00 N ATOM 234 CA PRO A 15 -4.071 -11.566 27.996 1.00 0.00 C ATOM 235 C PRO A 15 -5.277 -11.081 27.175 1.00 0.00 C ATOM 236 O PRO A 15 -5.441 -11.470 26.033 1.00 0.00 O ATOM 237 CB PRO A 15 -2.827 -10.745 27.665 1.00 0.00 C ATOM 238 CG PRO A 15 -2.118 -11.517 26.597 1.00 0.00 C ATOM 239 CD PRO A 15 -2.469 -12.971 26.785 1.00 0.00 C ATOM 0 HA PRO A 15 -4.366 -11.487 29.042 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -3.095 -9.747 27.317 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -2.195 -10.617 28.544 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -2.422 -11.173 25.608 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -1.040 -11.370 26.668 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -2.640 -13.466 25.829 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -1.666 -13.512 27.285 1.00 0.00 H new ATOM 247 N PRO A 16 -6.081 -10.240 27.787 1.00 0.00 N ATOM 248 CA PRO A 16 -7.280 -9.692 27.102 1.00 0.00 C ATOM 249 C PRO A 16 -6.868 -8.603 26.094 1.00 0.00 C ATOM 250 O PRO A 16 -7.019 -7.420 26.342 1.00 0.00 O ATOM 251 CB PRO A 16 -8.106 -9.104 28.245 1.00 0.00 C ATOM 252 CG PRO A 16 -7.119 -8.793 29.327 1.00 0.00 C ATOM 253 CD PRO A 16 -5.951 -9.733 29.160 1.00 0.00 C ATOM 0 HA PRO A 16 -7.831 -10.438 26.530 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -8.636 -8.206 27.926 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -8.859 -9.812 28.591 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -6.789 -7.756 29.259 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -7.575 -8.919 30.309 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -5.002 -9.217 29.304 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -5.987 -10.544 29.888 1.00 0.00 H new ATOM 261 N PHE A 17 -6.344 -9.001 24.962 1.00 0.00 N ATOM 262 CA PHE A 17 -5.913 -8.003 23.937 1.00 0.00 C ATOM 263 C PHE A 17 -7.114 -7.523 23.112 1.00 0.00 C ATOM 264 O PHE A 17 -8.051 -8.261 22.871 1.00 0.00 O ATOM 265 CB PHE A 17 -4.909 -8.750 23.051 1.00 0.00 C ATOM 266 CG PHE A 17 -4.400 -7.836 21.959 1.00 0.00 C ATOM 267 CD1 PHE A 17 -3.629 -6.713 22.285 1.00 0.00 C ATOM 268 CD2 PHE A 17 -4.701 -8.113 20.620 1.00 0.00 C ATOM 269 CE1 PHE A 17 -3.158 -5.869 21.273 1.00 0.00 C ATOM 270 CE2 PHE A 17 -4.230 -7.268 19.608 1.00 0.00 C ATOM 271 CZ PHE A 17 -3.460 -6.146 19.934 1.00 0.00 C ATOM 0 H PHE A 17 -6.196 -9.976 24.703 1.00 0.00 H new ATOM 0 HA PHE A 17 -5.474 -7.114 24.390 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -4.075 -9.108 23.655 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -5.383 -9.627 22.610 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -3.398 -6.498 23.318 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -5.296 -8.978 20.368 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -2.562 -5.004 21.525 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -4.461 -7.482 18.575 1.00 0.00 H new ATOM 0 HZ PHE A 17 -3.099 -5.494 19.153 1.00 0.00 H new ATOM 281 N VAL A 18 -7.080 -6.289 22.681 1.00 0.00 N ATOM 282 CA VAL A 18 -8.206 -5.736 21.866 1.00 0.00 C ATOM 283 C VAL A 18 -7.750 -5.541 20.413 1.00 0.00 C ATOM 284 O VAL A 18 -6.587 -5.305 20.148 1.00 0.00 O ATOM 285 CB VAL A 18 -8.545 -4.387 22.516 1.00 0.00 C ATOM 286 CG1 VAL A 18 -9.677 -3.708 21.739 1.00 0.00 C ATOM 287 CG2 VAL A 18 -8.993 -4.612 23.963 1.00 0.00 C ATOM 0 H VAL A 18 -6.317 -5.636 22.859 1.00 0.00 H new ATOM 0 HA VAL A 18 -9.071 -6.399 21.843 1.00 0.00 H new ATOM 0 HB VAL A 18 -7.660 -3.751 22.500 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -9.914 -2.751 22.204 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -9.363 -3.543 20.708 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -10.561 -4.346 21.751 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -9.233 -3.653 24.423 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -9.876 -5.252 23.975 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -8.190 -5.091 24.522 1.00 0.00 H new ATOM 297 N ARG A 19 -8.660 -5.638 19.474 1.00 0.00 N ATOM 298 CA ARG A 19 -8.282 -5.460 18.038 1.00 0.00 C ATOM 299 C ARG A 19 -7.854 -4.006 17.773 1.00 0.00 C ATOM 300 O ARG A 19 -8.649 -3.094 17.904 1.00 0.00 O ATOM 301 CB ARG A 19 -9.547 -5.808 17.242 1.00 0.00 C ATOM 302 CG ARG A 19 -9.156 -6.423 15.895 1.00 0.00 C ATOM 303 CD ARG A 19 -8.709 -7.874 16.102 1.00 0.00 C ATOM 304 NE ARG A 19 -9.264 -8.623 14.938 1.00 0.00 N ATOM 305 CZ ARG A 19 -10.162 -9.553 15.125 1.00 0.00 C ATOM 306 NH1 ARG A 19 -9.788 -10.787 15.340 1.00 0.00 N ATOM 307 NH2 ARG A 19 -11.433 -9.248 15.096 1.00 0.00 N ATOM 0 H ARG A 19 -9.647 -5.833 19.640 1.00 0.00 H new ATOM 0 HA ARG A 19 -7.440 -6.091 17.754 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -10.163 -6.508 17.807 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -10.147 -4.912 17.083 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -10.002 -6.387 15.208 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -8.351 -5.845 15.440 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -7.622 -7.950 16.138 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -9.087 -8.272 17.043 1.00 0.00 H new ATOM 0 HE ARG A 19 -8.942 -8.409 13.994 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -8.796 -11.023 15.362 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -10.488 -11.514 15.486 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -11.723 -8.285 14.927 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -12.135 -9.973 15.242 1.00 0.00 H new ATOM 321 N PRO A 20 -6.601 -3.841 17.411 1.00 0.00 N ATOM 322 CA PRO A 20 -6.058 -2.487 17.127 1.00 0.00 C ATOM 323 C PRO A 20 -6.536 -1.984 15.755 1.00 0.00 C ATOM 324 O PRO A 20 -7.353 -2.609 15.103 1.00 0.00 O ATOM 325 CB PRO A 20 -4.546 -2.703 17.124 1.00 0.00 C ATOM 326 CG PRO A 20 -4.354 -4.146 16.780 1.00 0.00 C ATOM 327 CD PRO A 20 -5.583 -4.888 17.238 1.00 0.00 C ATOM 0 HA PRO A 20 -6.381 -1.740 17.852 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -4.058 -2.057 16.395 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -4.113 -2.470 18.097 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -4.210 -4.268 15.707 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -3.463 -4.541 17.268 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -5.897 -5.629 16.503 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -5.400 -5.422 18.171 1.00 0.00 H new ATOM 335 N LEU A 21 -6.024 -0.862 15.317 1.00 0.00 N ATOM 336 CA LEU A 21 -6.436 -0.312 13.987 1.00 0.00 C ATOM 337 C LEU A 21 -5.781 -1.115 12.850 1.00 0.00 C ATOM 338 O LEU A 21 -4.786 -1.786 13.060 1.00 0.00 O ATOM 339 CB LEU A 21 -5.952 1.147 13.979 1.00 0.00 C ATOM 340 CG LEU A 21 -4.418 1.198 13.944 1.00 0.00 C ATOM 341 CD1 LEU A 21 -3.947 1.570 12.535 1.00 0.00 C ATOM 342 CD2 LEU A 21 -3.921 2.250 14.939 1.00 0.00 C ATOM 0 H LEU A 21 -5.338 -0.302 15.822 1.00 0.00 H new ATOM 0 HA LEU A 21 -7.513 -0.375 13.834 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.360 1.668 13.113 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -6.320 1.664 14.865 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.018 0.221 14.214 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.858 1.606 12.513 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -4.300 0.823 11.824 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.347 2.547 12.264 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -2.832 2.287 14.915 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.324 3.226 14.668 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.253 1.987 15.943 1.00 0.00 H new ATOM 354 N PRO A 22 -6.365 -1.021 11.678 1.00 0.00 N ATOM 355 CA PRO A 22 -5.831 -1.749 10.497 1.00 0.00 C ATOM 356 C PRO A 22 -4.525 -1.106 10.011 1.00 0.00 C ATOM 357 O PRO A 22 -4.486 0.062 9.673 1.00 0.00 O ATOM 358 CB PRO A 22 -6.937 -1.602 9.455 1.00 0.00 C ATOM 359 CG PRO A 22 -7.677 -0.363 9.848 1.00 0.00 C ATOM 360 CD PRO A 22 -7.563 -0.237 11.345 1.00 0.00 C ATOM 0 HA PRO A 22 -5.590 -2.791 10.709 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -6.523 -1.513 8.450 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -7.595 -2.471 9.453 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -7.254 0.512 9.354 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -8.722 -0.426 9.545 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -7.457 0.804 11.651 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -8.448 -0.628 11.847 1.00 0.00 H new ATOM 368 N GLY A 23 -3.455 -1.864 9.976 1.00 0.00 N ATOM 369 CA GLY A 23 -2.148 -1.307 9.516 1.00 0.00 C ATOM 370 C GLY A 23 -1.517 -2.253 8.491 1.00 0.00 C ATOM 371 O GLY A 23 -0.889 -3.233 8.846 1.00 0.00 O ATOM 0 H GLY A 23 -3.433 -2.847 10.247 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -2.297 -0.322 9.073 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -1.478 -1.176 10.366 1.00 0.00 H new ATOM 375 N GLY A 24 -1.681 -1.968 7.223 1.00 0.00 N ATOM 376 CA GLY A 24 -1.091 -2.849 6.171 1.00 0.00 C ATOM 377 C GLY A 24 -2.107 -3.927 5.774 1.00 0.00 C ATOM 378 O GLY A 24 -2.147 -4.985 6.371 1.00 0.00 O ATOM 0 H GLY A 24 -2.199 -1.162 6.872 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -0.815 -2.256 5.299 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -0.178 -3.314 6.542 1.00 0.00 H new ATOM 382 N PRO A 25 -2.900 -3.620 4.773 1.00 0.00 N ATOM 383 CA PRO A 25 -3.930 -4.579 4.291 1.00 0.00 C ATOM 384 C PRO A 25 -3.277 -5.741 3.529 1.00 0.00 C ATOM 385 O PRO A 25 -2.276 -5.570 2.856 1.00 0.00 O ATOM 386 CB PRO A 25 -4.799 -3.735 3.361 1.00 0.00 C ATOM 387 CG PRO A 25 -3.913 -2.622 2.904 1.00 0.00 C ATOM 388 CD PRO A 25 -2.914 -2.367 4.003 1.00 0.00 C ATOM 0 HA PRO A 25 -4.499 -5.036 5.101 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -5.160 -4.323 2.517 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -5.677 -3.352 3.881 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -3.405 -2.890 1.977 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -4.497 -1.725 2.699 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -1.928 -2.136 3.600 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -3.211 -1.521 4.623 1.00 0.00 H new ATOM 396 N ILE A 26 -3.838 -6.920 3.634 1.00 0.00 N ATOM 397 CA ILE A 26 -3.261 -8.101 2.924 1.00 0.00 C ATOM 398 C ILE A 26 -4.250 -8.616 1.867 1.00 0.00 C ATOM 399 O ILE A 26 -5.439 -8.370 1.945 1.00 0.00 O ATOM 400 CB ILE A 26 -3.033 -9.152 4.022 1.00 0.00 C ATOM 401 CG1 ILE A 26 -1.993 -8.633 5.022 1.00 0.00 C ATOM 402 CG2 ILE A 26 -2.524 -10.456 3.400 1.00 0.00 C ATOM 403 CD1 ILE A 26 -2.378 -9.071 6.437 1.00 0.00 C ATOM 0 H ILE A 26 -4.675 -7.115 4.184 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.337 -7.861 2.398 1.00 0.00 H new ATOM 0 HB ILE A 26 -3.977 -9.339 4.534 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -1.005 -9.018 4.767 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.935 -7.546 4.970 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -2.365 -11.196 4.185 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -3.261 -10.833 2.690 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.584 -10.269 2.882 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -1.638 -8.701 7.146 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -3.357 -8.665 6.690 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.414 -10.159 6.484 1.00 0.00 H new ATOM 415 N GLY A 27 -3.764 -9.333 0.883 1.00 0.00 N ATOM 416 CA GLY A 27 -4.666 -9.871 -0.179 1.00 0.00 C ATOM 417 C GLY A 27 -4.716 -8.900 -1.368 1.00 0.00 C ATOM 418 O GLY A 27 -4.823 -7.702 -1.183 1.00 0.00 O ATOM 0 H GLY A 27 -2.778 -9.569 0.771 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -4.310 -10.846 -0.510 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -5.668 -10.018 0.224 1.00 0.00 H new ATOM 422 N PRO A 28 -4.635 -9.456 -2.557 1.00 0.00 N ATOM 423 CA PRO A 28 -4.670 -8.632 -3.796 1.00 0.00 C ATOM 424 C PRO A 28 -6.108 -8.167 -4.098 1.00 0.00 C ATOM 425 O PRO A 28 -6.955 -8.145 -3.226 1.00 0.00 O ATOM 426 CB PRO A 28 -4.162 -9.593 -4.872 1.00 0.00 C ATOM 427 CG PRO A 28 -4.472 -10.964 -4.358 1.00 0.00 C ATOM 428 CD PRO A 28 -4.500 -10.889 -2.853 1.00 0.00 C ATOM 0 HA PRO A 28 -4.073 -7.722 -3.727 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -4.655 -9.410 -5.827 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -3.092 -9.468 -5.037 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -5.432 -11.309 -4.742 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -3.719 -11.678 -4.692 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -5.334 -11.459 -2.443 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -3.589 -11.300 -2.418 1.00 0.00 H new ATOM 436 N TYR A 29 -6.382 -7.794 -5.330 1.00 0.00 N ATOM 437 CA TYR A 29 -7.759 -7.333 -5.697 1.00 0.00 C ATOM 438 C TYR A 29 -8.743 -8.513 -5.656 1.00 0.00 C ATOM 439 O TYR A 29 -9.093 -9.083 -6.674 1.00 0.00 O ATOM 440 CB TYR A 29 -7.620 -6.782 -7.122 1.00 0.00 C ATOM 441 CG TYR A 29 -8.878 -6.043 -7.528 1.00 0.00 C ATOM 442 CD1 TYR A 29 -9.064 -4.707 -7.149 1.00 0.00 C ATOM 443 CD2 TYR A 29 -9.850 -6.690 -8.302 1.00 0.00 C ATOM 444 CE1 TYR A 29 -10.222 -4.022 -7.539 1.00 0.00 C ATOM 445 CE2 TYR A 29 -11.008 -6.006 -8.690 1.00 0.00 C ATOM 446 CZ TYR A 29 -11.194 -4.672 -8.311 1.00 0.00 C ATOM 447 OH TYR A 29 -12.338 -4.000 -8.695 1.00 0.00 O ATOM 0 H TYR A 29 -5.709 -7.790 -6.096 1.00 0.00 H new ATOM 0 HA TYR A 29 -8.147 -6.582 -5.008 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -6.763 -6.111 -7.177 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -7.430 -7.599 -7.818 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -8.314 -4.205 -6.556 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -9.706 -7.718 -8.600 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -10.366 -2.993 -7.245 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -11.758 -6.508 -9.282 1.00 0.00 H new ATOM 0 HH TYR A 29 -12.905 -4.597 -9.226 1.00 0.00 H new ATOM 457 N ASN A 30 -9.186 -8.883 -4.480 1.00 0.00 N ATOM 458 CA ASN A 30 -10.148 -10.022 -4.350 1.00 0.00 C ATOM 459 C ASN A 30 -10.897 -9.944 -3.008 1.00 0.00 C ATOM 460 O ASN A 30 -11.084 -10.939 -2.333 1.00 0.00 O ATOM 461 CB ASN A 30 -9.284 -11.289 -4.421 1.00 0.00 C ATOM 462 CG ASN A 30 -10.157 -12.488 -4.813 1.00 0.00 C ATOM 463 OD1 ASN A 30 -10.625 -12.574 -5.931 1.00 0.00 O ATOM 464 ND2 ASN A 30 -10.400 -13.422 -3.933 1.00 0.00 N ATOM 0 H ASN A 30 -8.921 -8.443 -3.599 1.00 0.00 H new ATOM 0 HA ASN A 30 -10.908 -10.008 -5.131 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -8.484 -11.155 -5.150 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -8.810 -11.472 -3.457 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -10.981 -14.221 -4.185 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -10.008 -13.352 -2.994 1.00 0.00 H new ATOM 471 N GLY A 31 -11.328 -8.768 -2.621 1.00 0.00 N ATOM 472 CA GLY A 31 -12.065 -8.621 -1.330 1.00 0.00 C ATOM 473 C GLY A 31 -12.868 -7.316 -1.335 1.00 0.00 C ATOM 474 O GLY A 31 -12.909 -6.601 -0.349 1.00 0.00 O ATOM 0 H GLY A 31 -11.200 -7.903 -3.146 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -12.734 -9.469 -1.184 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -11.362 -8.623 -0.497 1.00 0.00 H new ATOM 478 N CYS A 32 -13.511 -7.003 -2.436 1.00 0.00 N ATOM 479 CA CYS A 32 -14.317 -5.746 -2.520 1.00 0.00 C ATOM 480 C CYS A 32 -15.074 -5.693 -3.855 1.00 0.00 C ATOM 481 O CYS A 32 -14.525 -5.264 -4.853 1.00 0.00 O ATOM 482 CB CYS A 32 -13.301 -4.600 -2.450 1.00 0.00 C ATOM 483 SG CYS A 32 -14.173 -3.022 -2.590 1.00 0.00 S ATOM 0 H CYS A 32 -13.511 -7.569 -3.284 1.00 0.00 H new ATOM 0 HA CYS A 32 -15.055 -5.685 -1.720 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -12.751 -4.643 -1.510 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -12.569 -4.697 -3.252 1.00 0.00 H new ATOM 488 N PRO A 33 -16.314 -6.125 -3.837 1.00 0.00 N ATOM 489 CA PRO A 33 -17.142 -6.107 -5.073 1.00 0.00 C ATOM 490 C PRO A 33 -17.439 -4.660 -5.504 1.00 0.00 C ATOM 491 O PRO A 33 -17.462 -3.753 -4.693 1.00 0.00 O ATOM 492 CB PRO A 33 -18.420 -6.839 -4.660 1.00 0.00 C ATOM 493 CG PRO A 33 -18.485 -6.680 -3.175 1.00 0.00 C ATOM 494 CD PRO A 33 -17.060 -6.667 -2.689 1.00 0.00 C ATOM 0 HA PRO A 33 -16.651 -6.575 -5.926 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -19.297 -6.408 -5.143 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -18.384 -7.891 -4.945 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -18.996 -5.756 -2.905 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -19.044 -7.498 -2.720 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -16.943 -6.043 -1.803 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -16.717 -7.667 -2.422 1.00 0.00 H new ATOM 502 N VAL A 34 -17.659 -4.442 -6.777 1.00 0.00 N ATOM 503 CA VAL A 34 -17.948 -3.057 -7.269 1.00 0.00 C ATOM 504 C VAL A 34 -19.391 -2.648 -6.927 1.00 0.00 C ATOM 505 O VAL A 34 -19.668 -1.490 -6.673 1.00 0.00 O ATOM 506 CB VAL A 34 -17.750 -3.119 -8.789 1.00 0.00 C ATOM 507 CG1 VAL A 34 -18.072 -1.756 -9.408 1.00 0.00 C ATOM 508 CG2 VAL A 34 -16.294 -3.484 -9.103 1.00 0.00 C ATOM 0 H VAL A 34 -17.651 -5.163 -7.498 1.00 0.00 H new ATOM 0 HA VAL A 34 -17.296 -2.317 -6.804 1.00 0.00 H new ATOM 0 HB VAL A 34 -18.416 -3.875 -9.206 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -17.930 -1.804 -10.488 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -19.107 -1.492 -9.189 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -17.409 -1.000 -8.988 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -16.155 -3.528 -10.183 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -15.631 -2.729 -8.682 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -16.060 -4.456 -8.667 1.00 0.00 H new ATOM 518 N SER A 35 -20.307 -3.589 -6.920 1.00 0.00 N ATOM 519 CA SER A 35 -21.732 -3.262 -6.599 1.00 0.00 C ATOM 520 C SER A 35 -21.916 -2.971 -5.099 1.00 0.00 C ATOM 521 O SER A 35 -22.937 -2.449 -4.694 1.00 0.00 O ATOM 522 CB SER A 35 -22.526 -4.507 -7.002 1.00 0.00 C ATOM 523 OG SER A 35 -23.809 -4.114 -7.475 1.00 0.00 O ATOM 0 H SER A 35 -20.127 -4.572 -7.124 1.00 0.00 H new ATOM 0 HA SER A 35 -22.065 -2.368 -7.126 1.00 0.00 H new ATOM 0 HB2 SER A 35 -21.993 -5.057 -7.777 1.00 0.00 H new ATOM 0 HB3 SER A 35 -22.630 -5.178 -6.149 1.00 0.00 H new ATOM 0 HG SER A 35 -24.319 -4.909 -7.735 1.00 0.00 H new ATOM 529 N CYS A 36 -20.941 -3.305 -4.279 1.00 0.00 N ATOM 530 CA CYS A 36 -21.047 -3.054 -2.801 1.00 0.00 C ATOM 531 C CYS A 36 -22.219 -3.832 -2.182 1.00 0.00 C ATOM 532 O CYS A 36 -22.739 -3.459 -1.145 1.00 0.00 O ATOM 533 CB CYS A 36 -21.254 -1.545 -2.641 1.00 0.00 C ATOM 534 SG CYS A 36 -19.911 -0.655 -3.466 1.00 0.00 S ATOM 0 H CYS A 36 -20.069 -3.745 -4.574 1.00 0.00 H new ATOM 0 HA CYS A 36 -20.149 -3.393 -2.284 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -22.213 -1.252 -3.068 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -21.282 -1.282 -1.584 1.00 0.00 H new ATOM 539 N ARG A 37 -22.629 -4.915 -2.796 1.00 0.00 N ATOM 540 CA ARG A 37 -23.754 -5.718 -2.229 1.00 0.00 C ATOM 541 C ARG A 37 -23.216 -7.032 -1.649 1.00 0.00 C ATOM 542 O ARG A 37 -22.344 -7.661 -2.220 1.00 0.00 O ATOM 543 CB ARG A 37 -24.698 -5.999 -3.405 1.00 0.00 C ATOM 544 CG ARG A 37 -25.257 -4.681 -3.958 1.00 0.00 C ATOM 545 CD ARG A 37 -26.165 -4.022 -2.914 1.00 0.00 C ATOM 546 NE ARG A 37 -27.078 -3.134 -3.695 1.00 0.00 N ATOM 547 CZ ARG A 37 -28.360 -3.131 -3.444 1.00 0.00 C ATOM 548 NH1 ARG A 37 -29.118 -4.086 -3.918 1.00 0.00 N ATOM 549 NH2 ARG A 37 -28.883 -2.177 -2.719 1.00 0.00 N ATOM 0 H ARG A 37 -22.233 -5.276 -3.664 1.00 0.00 H new ATOM 0 HA ARG A 37 -24.266 -5.191 -1.424 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -24.164 -6.535 -4.190 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -25.516 -6.642 -3.080 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -24.439 -4.009 -4.217 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -25.818 -4.869 -4.874 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -26.727 -4.769 -2.353 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -25.583 -3.451 -2.191 1.00 0.00 H new ATOM 0 HE ARG A 37 -26.700 -2.530 -4.425 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -28.708 -4.830 -4.482 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -30.119 -4.086 -3.724 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -28.290 -1.434 -2.349 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -29.884 -2.175 -2.524 1.00 0.00 H new ATOM 563 N GLY A 38 -23.732 -7.447 -0.519 1.00 0.00 N ATOM 564 CA GLY A 38 -23.261 -8.721 0.109 1.00 0.00 C ATOM 565 C GLY A 38 -22.053 -8.456 1.021 1.00 0.00 C ATOM 566 O GLY A 38 -21.276 -9.353 1.297 1.00 0.00 O ATOM 0 H GLY A 38 -24.462 -6.957 -0.002 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -24.069 -9.169 0.687 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -22.989 -9.437 -0.667 1.00 0.00 H new ATOM 570 N ILE A 39 -21.888 -7.244 1.501 1.00 0.00 N ATOM 571 CA ILE A 39 -20.734 -6.940 2.401 1.00 0.00 C ATOM 572 C ILE A 39 -21.200 -6.103 3.596 1.00 0.00 C ATOM 573 O ILE A 39 -22.247 -5.483 3.566 1.00 0.00 O ATOM 574 CB ILE A 39 -19.716 -6.163 1.549 1.00 0.00 C ATOM 575 CG1 ILE A 39 -20.320 -4.828 1.089 1.00 0.00 C ATOM 576 CG2 ILE A 39 -19.321 -6.999 0.329 1.00 0.00 C ATOM 577 CD1 ILE A 39 -19.319 -4.088 0.197 1.00 0.00 C ATOM 0 H ILE A 39 -22.504 -6.455 1.307 1.00 0.00 H new ATOM 0 HA ILE A 39 -20.289 -7.850 2.804 1.00 0.00 H new ATOM 0 HB ILE A 39 -18.831 -5.961 2.152 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -21.246 -5.006 0.543 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -20.573 -4.215 1.954 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -18.600 -6.446 -0.273 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -18.875 -7.937 0.660 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -20.207 -7.210 -0.270 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -19.751 -3.141 -0.127 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -18.404 -3.896 0.758 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -19.088 -4.699 -0.675 1.00 0.00 H new ATOM 589 N SER A 40 -20.428 -6.090 4.648 1.00 0.00 N ATOM 590 CA SER A 40 -20.811 -5.306 5.858 1.00 0.00 C ATOM 591 C SER A 40 -20.442 -3.832 5.677 1.00 0.00 C ATOM 592 O SER A 40 -19.663 -3.479 4.811 1.00 0.00 O ATOM 593 CB SER A 40 -19.997 -5.915 7.005 1.00 0.00 C ATOM 594 OG SER A 40 -19.954 -7.329 6.864 1.00 0.00 O ATOM 0 H SER A 40 -19.543 -6.592 4.722 1.00 0.00 H new ATOM 0 HA SER A 40 -21.884 -5.348 6.047 1.00 0.00 H new ATOM 0 HB2 SER A 40 -18.986 -5.509 7.002 1.00 0.00 H new ATOM 0 HB3 SER A 40 -20.444 -5.649 7.963 1.00 0.00 H new ATOM 0 HG SER A 40 -19.146 -7.584 6.371 1.00 0.00 H new ATOM 600 N PHE A 41 -20.985 -2.972 6.503 1.00 0.00 N ATOM 601 CA PHE A 41 -20.651 -1.520 6.399 1.00 0.00 C ATOM 602 C PHE A 41 -19.141 -1.337 6.563 1.00 0.00 C ATOM 603 O PHE A 41 -18.502 -0.666 5.778 1.00 0.00 O ATOM 604 CB PHE A 41 -21.405 -0.846 7.549 1.00 0.00 C ATOM 605 CG PHE A 41 -21.184 0.650 7.502 1.00 0.00 C ATOM 606 CD1 PHE A 41 -21.828 1.426 6.530 1.00 0.00 C ATOM 607 CD2 PHE A 41 -20.335 1.259 8.434 1.00 0.00 C ATOM 608 CE1 PHE A 41 -21.623 2.809 6.491 1.00 0.00 C ATOM 609 CE2 PHE A 41 -20.130 2.643 8.394 1.00 0.00 C ATOM 610 CZ PHE A 41 -20.773 3.419 7.423 1.00 0.00 C ATOM 0 H PHE A 41 -21.644 -3.213 7.243 1.00 0.00 H new ATOM 0 HA PHE A 41 -20.932 -1.092 5.437 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -22.470 -1.068 7.477 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -21.061 -1.244 8.504 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -22.483 0.957 5.811 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -19.838 0.661 9.184 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -22.120 3.407 5.742 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -19.475 3.112 9.113 1.00 0.00 H new ATOM 0 HZ PHE A 41 -20.614 4.487 7.392 1.00 0.00 H new ATOM 620 N SER A 42 -18.569 -1.946 7.574 1.00 0.00 N ATOM 621 CA SER A 42 -17.092 -1.829 7.793 1.00 0.00 C ATOM 622 C SER A 42 -16.333 -2.388 6.586 1.00 0.00 C ATOM 623 O SER A 42 -15.321 -1.849 6.179 1.00 0.00 O ATOM 624 CB SER A 42 -16.800 -2.661 9.043 1.00 0.00 C ATOM 625 OG SER A 42 -15.580 -2.222 9.628 1.00 0.00 O ATOM 0 H SER A 42 -19.062 -2.520 8.258 1.00 0.00 H new ATOM 0 HA SER A 42 -16.777 -0.793 7.916 1.00 0.00 H new ATOM 0 HB2 SER A 42 -17.616 -2.561 9.759 1.00 0.00 H new ATOM 0 HB3 SER A 42 -16.732 -3.717 8.783 1.00 0.00 H new ATOM 0 HG SER A 42 -15.392 -2.753 10.430 1.00 0.00 H new ATOM 631 N GLN A 43 -16.821 -3.455 6.000 1.00 0.00 N ATOM 632 CA GLN A 43 -16.131 -4.035 4.808 1.00 0.00 C ATOM 633 C GLN A 43 -16.209 -3.046 3.642 1.00 0.00 C ATOM 634 O GLN A 43 -15.234 -2.803 2.956 1.00 0.00 O ATOM 635 CB GLN A 43 -16.900 -5.319 4.478 1.00 0.00 C ATOM 636 CG GLN A 43 -15.914 -6.470 4.267 1.00 0.00 C ATOM 637 CD GLN A 43 -16.680 -7.795 4.185 1.00 0.00 C ATOM 638 OE1 GLN A 43 -17.515 -8.082 5.020 1.00 0.00 O ATOM 639 NE2 GLN A 43 -16.432 -8.622 3.206 1.00 0.00 N ATOM 0 H GLN A 43 -17.664 -3.947 6.295 1.00 0.00 H new ATOM 0 HA GLN A 43 -15.077 -4.239 4.994 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -17.588 -5.561 5.288 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -17.502 -5.174 3.581 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -15.344 -6.311 3.352 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -15.197 -6.503 5.087 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -15.732 -8.385 2.503 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -16.938 -9.505 3.144 1.00 0.00 H new ATOM 648 N ALA A 44 -17.365 -2.464 3.430 1.00 0.00 N ATOM 649 CA ALA A 44 -17.521 -1.473 2.321 1.00 0.00 C ATOM 650 C ALA A 44 -16.783 -0.175 2.673 1.00 0.00 C ATOM 651 O ALA A 44 -16.212 0.474 1.816 1.00 0.00 O ATOM 652 CB ALA A 44 -19.030 -1.225 2.208 1.00 0.00 C ATOM 0 H ALA A 44 -18.208 -2.633 3.979 1.00 0.00 H new ATOM 0 HA ALA A 44 -17.103 -1.834 1.381 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -19.222 -0.506 1.412 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -19.537 -2.163 1.980 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -19.406 -0.830 3.152 1.00 0.00 H new ATOM 658 N ARG A 45 -16.783 0.198 3.931 1.00 0.00 N ATOM 659 CA ARG A 45 -16.076 1.443 4.354 1.00 0.00 C ATOM 660 C ARG A 45 -14.558 1.245 4.246 1.00 0.00 C ATOM 661 O ARG A 45 -13.830 2.145 3.872 1.00 0.00 O ATOM 662 CB ARG A 45 -16.488 1.670 5.812 1.00 0.00 C ATOM 663 CG ARG A 45 -16.306 3.148 6.175 1.00 0.00 C ATOM 664 CD ARG A 45 -17.655 3.874 6.081 1.00 0.00 C ATOM 665 NE ARG A 45 -17.813 4.229 4.639 1.00 0.00 N ATOM 666 CZ ARG A 45 -18.992 4.528 4.164 1.00 0.00 C ATOM 667 NH1 ARG A 45 -19.862 3.579 3.928 1.00 0.00 N ATOM 668 NH2 ARG A 45 -19.300 5.776 3.920 1.00 0.00 N ATOM 0 H ARG A 45 -17.245 -0.311 4.684 1.00 0.00 H new ATOM 0 HA ARG A 45 -16.334 2.297 3.727 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -17.527 1.375 5.957 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -15.885 1.046 6.472 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -15.903 3.238 7.184 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -15.585 3.612 5.502 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -18.470 3.235 6.420 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -17.667 4.765 6.709 1.00 0.00 H new ATOM 0 HE ARG A 45 -16.999 4.238 4.024 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -19.619 2.606 4.115 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -20.783 3.812 3.557 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -18.619 6.514 4.101 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -20.221 6.011 3.549 1.00 0.00 H new ATOM 682 N SER A 46 -14.084 0.066 4.571 1.00 0.00 N ATOM 683 CA SER A 46 -12.618 -0.212 4.493 1.00 0.00 C ATOM 684 C SER A 46 -12.126 -0.132 3.038 1.00 0.00 C ATOM 685 O SER A 46 -11.056 0.378 2.770 1.00 0.00 O ATOM 686 CB SER A 46 -12.459 -1.636 5.039 1.00 0.00 C ATOM 687 OG SER A 46 -11.159 -2.125 4.733 1.00 0.00 O ATOM 0 H SER A 46 -14.654 -0.718 4.888 1.00 0.00 H new ATOM 0 HA SER A 46 -12.032 0.513 5.058 1.00 0.00 H new ATOM 0 HB2 SER A 46 -12.615 -1.642 6.118 1.00 0.00 H new ATOM 0 HB3 SER A 46 -13.215 -2.289 4.604 1.00 0.00 H new ATOM 0 HG SER A 46 -11.060 -3.034 5.085 1.00 0.00 H new ATOM 693 N CYS A 47 -12.895 -0.642 2.104 1.00 0.00 N ATOM 694 CA CYS A 47 -12.464 -0.608 0.670 1.00 0.00 C ATOM 695 C CYS A 47 -12.529 0.811 0.095 1.00 0.00 C ATOM 696 O CYS A 47 -11.733 1.172 -0.748 1.00 0.00 O ATOM 697 CB CYS A 47 -13.437 -1.521 -0.073 1.00 0.00 C ATOM 698 SG CYS A 47 -12.893 -1.686 -1.791 1.00 0.00 S ATOM 0 H CYS A 47 -13.801 -1.079 2.273 1.00 0.00 H new ATOM 0 HA CYS A 47 -11.429 -0.935 0.568 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -13.475 -2.500 0.406 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -14.445 -1.108 -0.035 1.00 0.00 H new ATOM 703 N CYS A 48 -13.469 1.615 0.528 1.00 0.00 N ATOM 704 CA CYS A 48 -13.567 3.008 -0.016 1.00 0.00 C ATOM 705 C CYS A 48 -12.254 3.763 0.214 1.00 0.00 C ATOM 706 O CYS A 48 -11.759 4.445 -0.661 1.00 0.00 O ATOM 707 CB CYS A 48 -14.705 3.671 0.760 1.00 0.00 C ATOM 708 SG CYS A 48 -14.799 5.427 0.327 1.00 0.00 S ATOM 0 H CYS A 48 -14.168 1.371 1.229 1.00 0.00 H new ATOM 0 HA CYS A 48 -13.754 3.011 -1.090 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -15.650 3.179 0.530 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -14.540 3.559 1.832 1.00 0.00 H new ATOM 713 N SER A 49 -11.687 3.646 1.386 1.00 0.00 N ATOM 714 CA SER A 49 -10.406 4.360 1.670 1.00 0.00 C ATOM 715 C SER A 49 -9.207 3.596 1.089 1.00 0.00 C ATOM 716 O SER A 49 -8.172 4.174 0.825 1.00 0.00 O ATOM 717 CB SER A 49 -10.312 4.422 3.194 1.00 0.00 C ATOM 718 OG SER A 49 -9.218 5.253 3.564 1.00 0.00 O ATOM 0 H SER A 49 -12.054 3.089 2.157 1.00 0.00 H new ATOM 0 HA SER A 49 -10.390 5.351 1.216 1.00 0.00 H new ATOM 0 HB2 SER A 49 -11.239 4.815 3.611 1.00 0.00 H new ATOM 0 HB3 SER A 49 -10.177 3.421 3.603 1.00 0.00 H new ATOM 0 HG SER A 49 -9.250 5.426 4.528 1.00 0.00 H new ATOM 724 N ARG A 50 -9.333 2.307 0.898 1.00 0.00 N ATOM 725 CA ARG A 50 -8.189 1.516 0.346 1.00 0.00 C ATOM 726 C ARG A 50 -8.194 1.507 -1.189 1.00 0.00 C ATOM 727 O ARG A 50 -7.149 1.438 -1.811 1.00 0.00 O ATOM 728 CB ARG A 50 -8.388 0.093 0.883 1.00 0.00 C ATOM 729 CG ARG A 50 -7.379 -0.181 2.002 1.00 0.00 C ATOM 730 CD ARG A 50 -7.864 0.467 3.303 1.00 0.00 C ATOM 731 NE ARG A 50 -6.741 1.343 3.744 1.00 0.00 N ATOM 732 CZ ARG A 50 -6.870 2.641 3.706 1.00 0.00 C ATOM 733 NH1 ARG A 50 -7.542 3.257 4.643 1.00 0.00 N ATOM 734 NH2 ARG A 50 -6.323 3.324 2.735 1.00 0.00 N ATOM 0 H ARG A 50 -10.176 1.769 1.099 1.00 0.00 H new ATOM 0 HA ARG A 50 -7.234 1.947 0.645 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -9.404 -0.026 1.259 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -8.259 -0.631 0.079 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -7.259 -1.255 2.142 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -6.401 0.216 1.729 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -8.774 1.045 3.140 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -8.095 -0.286 4.056 1.00 0.00 H new ATOM 0 HE ARG A 50 -5.871 0.927 4.076 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -7.965 2.723 5.402 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -7.644 4.272 4.615 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -5.795 2.842 2.007 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -6.424 4.339 2.705 1.00 0.00 H new ATOM 748 N LEU A 51 -9.351 1.551 -1.810 1.00 0.00 N ATOM 749 CA LEU A 51 -9.399 1.517 -3.309 1.00 0.00 C ATOM 750 C LEU A 51 -10.412 2.518 -3.893 1.00 0.00 C ATOM 751 O LEU A 51 -10.595 2.576 -5.095 1.00 0.00 O ATOM 752 CB LEU A 51 -9.829 0.086 -3.647 1.00 0.00 C ATOM 753 CG LEU A 51 -8.597 -0.818 -3.733 1.00 0.00 C ATOM 754 CD1 LEU A 51 -8.979 -2.243 -3.328 1.00 0.00 C ATOM 755 CD2 LEU A 51 -8.065 -0.821 -5.170 1.00 0.00 C ATOM 0 H LEU A 51 -10.258 1.609 -1.348 1.00 0.00 H new ATOM 0 HA LEU A 51 -8.434 1.795 -3.734 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -10.513 -0.288 -2.885 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -10.368 0.073 -4.594 1.00 0.00 H new ATOM 0 HG LEU A 51 -7.825 -0.444 -3.060 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -8.101 -2.886 -3.389 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -9.357 -2.242 -2.306 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -9.751 -2.618 -4.000 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -7.188 -1.465 -5.232 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -8.837 -1.194 -5.843 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -7.792 0.194 -5.459 1.00 0.00 H new ATOM 767 N GLY A 52 -11.075 3.300 -3.074 1.00 0.00 N ATOM 768 CA GLY A 52 -12.071 4.275 -3.615 1.00 0.00 C ATOM 769 C GLY A 52 -13.343 3.536 -4.067 1.00 0.00 C ATOM 770 O GLY A 52 -14.091 4.029 -4.890 1.00 0.00 O ATOM 0 H GLY A 52 -10.969 3.304 -2.060 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -12.321 5.012 -2.852 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -11.639 4.819 -4.455 1.00 0.00 H new ATOM 774 N ARG A 53 -13.592 2.357 -3.539 1.00 0.00 N ATOM 775 CA ARG A 53 -14.810 1.590 -3.943 1.00 0.00 C ATOM 776 C ARG A 53 -15.818 1.525 -2.794 1.00 0.00 C ATOM 777 O ARG A 53 -15.451 1.439 -1.639 1.00 0.00 O ATOM 778 CB ARG A 53 -14.310 0.188 -4.297 1.00 0.00 C ATOM 779 CG ARG A 53 -14.023 0.113 -5.801 1.00 0.00 C ATOM 780 CD ARG A 53 -15.201 -0.556 -6.522 1.00 0.00 C ATOM 781 NE ARG A 53 -16.297 0.462 -6.534 1.00 0.00 N ATOM 782 CZ ARG A 53 -16.203 1.527 -7.292 1.00 0.00 C ATOM 783 NH1 ARG A 53 -15.951 1.401 -8.570 1.00 0.00 N ATOM 784 NH2 ARG A 53 -16.371 2.717 -6.773 1.00 0.00 N ATOM 0 H ARG A 53 -13.002 1.896 -2.846 1.00 0.00 H new ATOM 0 HA ARG A 53 -15.322 2.063 -4.781 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -13.407 -0.041 -3.732 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -15.057 -0.557 -4.021 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -13.862 1.114 -6.200 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -13.108 -0.452 -5.978 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -14.926 -0.847 -7.536 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -15.514 -1.462 -6.004 1.00 0.00 H new ATOM 0 HE ARG A 53 -17.122 0.327 -5.949 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -15.828 0.474 -8.976 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -15.878 2.230 -9.160 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -16.575 2.815 -5.778 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -16.298 3.546 -7.363 1.00 0.00 H new ATOM 798 N CYS A 54 -17.088 1.577 -3.116 1.00 0.00 N ATOM 799 CA CYS A 54 -18.165 1.530 -2.073 1.00 0.00 C ATOM 800 C CYS A 54 -18.023 2.738 -1.148 1.00 0.00 C ATOM 801 O CYS A 54 -17.960 2.619 0.062 1.00 0.00 O ATOM 802 CB CYS A 54 -17.963 0.211 -1.313 1.00 0.00 C ATOM 803 SG CYS A 54 -18.255 -1.182 -2.433 1.00 0.00 S ATOM 0 H CYS A 54 -17.431 1.651 -4.074 1.00 0.00 H new ATOM 0 HA CYS A 54 -19.166 1.569 -2.503 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -16.951 0.162 -0.911 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -18.646 0.159 -0.465 1.00 0.00 H new ATOM 808 N CYS A 55 -17.950 3.904 -1.731 1.00 0.00 N ATOM 809 CA CYS A 55 -17.781 5.149 -0.933 1.00 0.00 C ATOM 810 C CYS A 55 -19.124 5.854 -0.680 1.00 0.00 C ATOM 811 O CYS A 55 -19.210 6.735 0.156 1.00 0.00 O ATOM 812 CB CYS A 55 -16.870 6.020 -1.796 1.00 0.00 C ATOM 813 SG CYS A 55 -15.163 5.432 -1.660 1.00 0.00 S ATOM 0 H CYS A 55 -18.001 4.047 -2.740 1.00 0.00 H new ATOM 0 HA CYS A 55 -17.369 4.946 0.055 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -17.195 5.986 -2.836 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -16.934 7.060 -1.476 1.00 0.00 H new ATOM 818 N HIS A 56 -20.168 5.490 -1.388 1.00 0.00 N ATOM 819 CA HIS A 56 -21.484 6.159 -1.175 1.00 0.00 C ATOM 820 C HIS A 56 -22.581 5.130 -0.860 1.00 0.00 C ATOM 821 O HIS A 56 -23.689 5.223 -1.353 1.00 0.00 O ATOM 822 CB HIS A 56 -21.772 6.883 -2.493 1.00 0.00 C ATOM 823 CG HIS A 56 -22.521 8.158 -2.214 1.00 0.00 C ATOM 824 ND1 HIS A 56 -22.032 9.130 -1.355 1.00 0.00 N ATOM 825 CD2 HIS A 56 -23.725 8.634 -2.673 1.00 0.00 C ATOM 826 CE1 HIS A 56 -22.930 10.132 -1.323 1.00 0.00 C ATOM 827 NE2 HIS A 56 -23.981 9.881 -2.109 1.00 0.00 N ATOM 0 H HIS A 56 -20.162 4.761 -2.101 1.00 0.00 H new ATOM 0 HA HIS A 56 -21.463 6.844 -0.327 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -20.838 7.103 -3.010 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -22.358 6.242 -3.152 1.00 0.00 H new ATOM 0 HD1 HIS A 56 -21.152 9.093 -0.841 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -24.374 8.119 -3.366 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -22.815 11.030 -0.734 1.00 0.00 H new ATOM 835 N VAL A 57 -22.284 4.159 -0.030 1.00 0.00 N ATOM 836 CA VAL A 57 -23.312 3.136 0.328 1.00 0.00 C ATOM 837 C VAL A 57 -23.804 3.377 1.760 1.00 0.00 C ATOM 838 O VAL A 57 -23.041 3.306 2.708 1.00 0.00 O ATOM 839 CB VAL A 57 -22.600 1.783 0.208 1.00 0.00 C ATOM 840 CG1 VAL A 57 -23.474 0.678 0.813 1.00 0.00 C ATOM 841 CG2 VAL A 57 -22.349 1.474 -1.269 1.00 0.00 C ATOM 0 H VAL A 57 -21.374 4.032 0.414 1.00 0.00 H new ATOM 0 HA VAL A 57 -24.187 3.178 -0.320 1.00 0.00 H new ATOM 0 HB VAL A 57 -21.652 1.827 0.745 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -22.962 -0.280 0.724 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -23.658 0.895 1.865 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -24.424 0.633 0.280 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -21.843 0.513 -1.359 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -23.301 1.434 -1.799 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -21.724 2.255 -1.703 1.00 0.00 H new ATOM 851 N GLY A 58 -25.071 3.672 1.916 1.00 0.00 N ATOM 852 CA GLY A 58 -25.630 3.929 3.278 1.00 0.00 C ATOM 853 C GLY A 58 -25.299 5.361 3.709 1.00 0.00 C ATOM 854 O GLY A 58 -24.201 5.646 4.151 1.00 0.00 O ATOM 0 H GLY A 58 -25.745 3.746 1.154 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -26.710 3.781 3.273 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -25.214 3.218 3.992 1.00 0.00 H new ATOM 858 N LYS A 59 -26.239 6.263 3.584 1.00 0.00 N ATOM 859 CA LYS A 59 -25.984 7.681 3.986 1.00 0.00 C ATOM 860 C LYS A 59 -26.328 7.881 5.468 1.00 0.00 C ATOM 861 O LYS A 59 -27.485 7.903 5.848 1.00 0.00 O ATOM 862 CB LYS A 59 -26.904 8.523 3.095 1.00 0.00 C ATOM 863 CG LYS A 59 -26.226 9.859 2.773 1.00 0.00 C ATOM 864 CD LYS A 59 -25.450 9.742 1.457 1.00 0.00 C ATOM 865 CE LYS A 59 -26.223 10.444 0.335 1.00 0.00 C ATOM 866 NZ LYS A 59 -26.922 9.352 -0.404 1.00 0.00 N ATOM 0 H LYS A 59 -27.174 6.079 3.220 1.00 0.00 H new ATOM 0 HA LYS A 59 -24.938 7.963 3.864 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -27.126 7.985 2.173 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -27.854 8.698 3.599 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -26.974 10.648 2.696 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -25.550 10.139 3.581 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -24.462 10.189 1.566 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -25.299 8.692 1.205 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -26.935 11.164 0.739 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -25.550 10.995 -0.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -27.458 9.758 -1.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -26.221 8.676 -0.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -27.575 8.860 0.239 1.00 0.00 H new ATOM 880 N GLY A 60 -25.330 8.023 6.307 1.00 0.00 N ATOM 881 CA GLY A 60 -25.589 8.217 7.764 1.00 0.00 C ATOM 882 C GLY A 60 -25.640 6.854 8.462 1.00 0.00 C ATOM 883 O GLY A 60 -26.148 5.889 7.919 1.00 0.00 O ATOM 0 H GLY A 60 -24.345 8.012 6.042 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -24.805 8.833 8.204 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -26.530 8.747 7.909 1.00 0.00 H new ATOM 887 N TYR A 61 -25.117 6.767 9.660 1.00 0.00 N ATOM 888 CA TYR A 61 -25.132 5.467 10.398 1.00 0.00 C ATOM 889 C TYR A 61 -26.550 5.141 10.884 1.00 0.00 C ATOM 890 O TYR A 61 -27.401 6.007 10.979 1.00 0.00 O ATOM 891 CB TYR A 61 -24.190 5.669 11.588 1.00 0.00 C ATOM 892 CG TYR A 61 -23.482 4.372 11.906 1.00 0.00 C ATOM 893 CD1 TYR A 61 -22.409 3.948 11.112 1.00 0.00 C ATOM 894 CD2 TYR A 61 -23.894 3.596 12.996 1.00 0.00 C ATOM 895 CE1 TYR A 61 -21.750 2.749 11.408 1.00 0.00 C ATOM 896 CE2 TYR A 61 -23.236 2.396 13.291 1.00 0.00 C ATOM 897 CZ TYR A 61 -22.162 1.973 12.497 1.00 0.00 C ATOM 898 OH TYR A 61 -21.511 0.790 12.787 1.00 0.00 O ATOM 0 H TYR A 61 -24.680 7.542 10.159 1.00 0.00 H new ATOM 0 HA TYR A 61 -24.817 4.637 9.766 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -23.460 6.445 11.358 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -24.754 6.009 12.457 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -22.090 4.546 10.271 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -24.720 3.923 13.610 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -20.923 2.423 10.795 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -23.556 1.797 14.130 1.00 0.00 H new ATOM 0 HH TYR A 61 -21.921 0.375 13.574 1.00 0.00 H new ATOM 908 N SER A 62 -26.803 3.895 11.190 1.00 0.00 N ATOM 909 CA SER A 62 -28.158 3.493 11.671 1.00 0.00 C ATOM 910 C SER A 62 -28.178 3.378 13.198 1.00 0.00 C ATOM 911 O SER A 62 -27.180 3.591 13.864 1.00 0.00 O ATOM 912 CB SER A 62 -28.422 2.129 11.027 1.00 0.00 C ATOM 913 OG SER A 62 -29.769 1.742 11.271 1.00 0.00 O ATOM 0 H SER A 62 -26.126 3.135 11.127 1.00 0.00 H new ATOM 0 HA SER A 62 -28.918 4.227 11.403 1.00 0.00 H new ATOM 0 HB2 SER A 62 -28.235 2.179 9.954 1.00 0.00 H new ATOM 0 HB3 SER A 62 -27.739 1.384 11.435 1.00 0.00 H new ATOM 0 HG SER A 62 -29.939 0.870 10.858 1.00 0.00 H new ATOM 919 N GLY A 63 -29.311 3.039 13.751 1.00 0.00 N ATOM 920 CA GLY A 63 -29.421 2.901 15.232 1.00 0.00 C ATOM 921 C GLY A 63 -30.669 2.087 15.579 1.00 0.00 C ATOM 922 O GLY A 63 -30.602 0.872 15.490 1.00 0.00 O ATOM 923 OXT GLY A 63 -31.670 2.692 15.924 1.00 0.00 O ATOM 0 H GLY A 63 -30.171 2.850 13.237 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -28.532 2.410 15.629 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -29.476 3.886 15.696 1.00 0.00 H new TER 927 GLY A 63