USER MOD reduce.3.24.130724 H: found=0, std=0, add=550, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 548 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 NoAdj-H: A 40 HIS HD1 : A 40 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 35 THR OG1 : rot 180:sc= -0.0152 USER MOD Set 1.2: A 41 ASN : amide:sc= -0.464 K(o=-0.48,f=-3.5!) USER MOD Set 2.1: A 31 GLN : amide:sc= 0.292 K(o=0.6,f=-0.082) USER MOD Set 2.2: A 32 LYS NZ :NH3+ 166:sc= 0.307 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ -107:sc= 0.0785 (180deg=0) USER MOD Single : A 2 SER OG : rot 26:sc= 0.148 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl -148:sc= -0.462 (180deg=-1.9!) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -1.16 K(o=-1.2,f=-1.7) USER MOD Single : A 15 ASN : amide:sc= -0.0337 K(o=-0.034,f=-1.4) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 80:sc= 0.569 USER MOD Single : A 49 GLN : amide:sc= -2.48! C(o=-2.5!,f=-2.1!) USER MOD Single : A 53 THR OG1 : rot -11:sc= 1.22 USER MOD Single : A 54 SER OG : rot -57:sc= 0.489 USER MOD Single : A 55 CYS SG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 138:sc= -0.288 (180deg=-2.75!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 108:sc= 0.904 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -160:sc= 0.502 (180deg=0.384) USER MOD Single : A 70 ASN : amide:sc= -0.397 K(o=-0.4,f=-7.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.525 6.951 -35.283 1.00 0.00 N ATOM 2 CA GLY A 1 0.452 7.909 -35.087 1.00 0.00 C ATOM 3 C GLY A 1 -0.185 7.793 -33.716 1.00 0.00 C ATOM 4 O GLY A 1 0.116 6.869 -32.960 1.00 0.00 O ATOM 0 H1 GLY A 1 2.440 7.444 -35.256 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.494 6.236 -34.528 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.410 6.485 -36.206 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.842 8.918 -35.219 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -0.310 7.759 -35.852 1.00 0.00 H new ATOM 8 N SER A 2 -1.067 8.734 -33.394 1.00 0.00 N ATOM 9 CA SER A 2 -1.744 8.736 -32.103 1.00 0.00 C ATOM 10 C SER A 2 -3.092 8.027 -32.195 1.00 0.00 C ATOM 11 O SER A 2 -3.914 8.342 -33.055 1.00 0.00 O ATOM 12 CB SER A 2 -1.943 10.171 -31.610 1.00 0.00 C ATOM 13 OG SER A 2 -2.696 10.930 -32.540 1.00 0.00 O ATOM 0 H SER A 2 -1.329 9.504 -34.009 1.00 0.00 H new ATOM 0 HA SER A 2 -1.118 8.198 -31.391 1.00 0.00 H new ATOM 0 HB2 SER A 2 -2.453 10.160 -30.647 1.00 0.00 H new ATOM 0 HB3 SER A 2 -0.973 10.642 -31.452 1.00 0.00 H new ATOM 0 HG SER A 2 -3.271 10.332 -33.061 1.00 0.00 H new ATOM 19 N SER A 3 -3.311 7.067 -31.301 1.00 0.00 N ATOM 20 CA SER A 3 -4.557 6.310 -31.283 1.00 0.00 C ATOM 21 C SER A 3 -5.760 7.245 -31.210 1.00 0.00 C ATOM 22 O SER A 3 -5.828 8.121 -30.348 1.00 0.00 O ATOM 23 CB SER A 3 -4.574 5.344 -30.097 1.00 0.00 C ATOM 24 OG SER A 3 -5.881 4.849 -29.861 1.00 0.00 O ATOM 0 H SER A 3 -2.642 6.796 -30.580 1.00 0.00 H new ATOM 0 HA SER A 3 -4.620 5.738 -32.209 1.00 0.00 H new ATOM 0 HB2 SER A 3 -3.896 4.513 -30.291 1.00 0.00 H new ATOM 0 HB3 SER A 3 -4.208 5.852 -29.205 1.00 0.00 H new ATOM 0 HG SER A 3 -5.865 4.233 -29.099 1.00 0.00 H new ATOM 30 N GLY A 4 -6.709 7.052 -32.121 1.00 0.00 N ATOM 31 CA GLY A 4 -7.897 7.885 -32.143 1.00 0.00 C ATOM 32 C GLY A 4 -8.830 7.594 -30.985 1.00 0.00 C ATOM 33 O GLY A 4 -8.611 8.066 -29.869 1.00 0.00 O ATOM 0 H GLY A 4 -6.676 6.333 -32.844 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -7.602 8.934 -32.113 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -8.429 7.730 -33.082 1.00 0.00 H new ATOM 37 N SER A 5 -9.875 6.817 -31.249 1.00 0.00 N ATOM 38 CA SER A 5 -10.849 6.469 -30.221 1.00 0.00 C ATOM 39 C SER A 5 -11.711 5.291 -30.666 1.00 0.00 C ATOM 40 O SER A 5 -12.253 5.287 -31.771 1.00 0.00 O ATOM 41 CB SER A 5 -11.736 7.673 -29.900 1.00 0.00 C ATOM 42 OG SER A 5 -12.332 7.541 -28.621 1.00 0.00 O ATOM 0 H SER A 5 -10.069 6.416 -32.167 1.00 0.00 H new ATOM 0 HA SER A 5 -10.304 6.179 -29.322 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.142 8.586 -29.935 1.00 0.00 H new ATOM 0 HB3 SER A 5 -12.513 7.769 -30.659 1.00 0.00 H new ATOM 0 HG SER A 5 -12.893 8.324 -28.439 1.00 0.00 H new ATOM 48 N SER A 6 -11.834 4.294 -29.796 1.00 0.00 N ATOM 49 CA SER A 6 -12.627 3.108 -30.099 1.00 0.00 C ATOM 50 C SER A 6 -13.003 2.365 -28.820 1.00 0.00 C ATOM 51 O SER A 6 -12.220 2.297 -27.875 1.00 0.00 O ATOM 52 CB SER A 6 -11.854 2.177 -31.035 1.00 0.00 C ATOM 53 OG SER A 6 -12.674 1.114 -31.488 1.00 0.00 O ATOM 0 H SER A 6 -11.395 4.284 -28.875 1.00 0.00 H new ATOM 0 HA SER A 6 -13.543 3.430 -30.594 1.00 0.00 H new ATOM 0 HB2 SER A 6 -11.481 2.742 -31.889 1.00 0.00 H new ATOM 0 HB3 SER A 6 -10.985 1.774 -30.516 1.00 0.00 H new ATOM 0 HG SER A 6 -12.157 0.534 -32.086 1.00 0.00 H new ATOM 59 N GLY A 7 -14.211 1.808 -28.801 1.00 0.00 N ATOM 60 CA GLY A 7 -14.672 1.077 -27.635 1.00 0.00 C ATOM 61 C GLY A 7 -15.897 0.235 -27.926 1.00 0.00 C ATOM 62 O GLY A 7 -16.837 0.696 -28.573 1.00 0.00 O ATOM 0 H GLY A 7 -14.878 1.850 -29.572 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -13.870 0.433 -27.273 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -14.901 1.782 -26.835 1.00 0.00 H new ATOM 66 N MET A 8 -15.888 -1.006 -27.449 1.00 0.00 N ATOM 67 CA MET A 8 -17.008 -1.915 -27.662 1.00 0.00 C ATOM 68 C MET A 8 -16.821 -3.204 -26.867 1.00 0.00 C ATOM 69 O MET A 8 -15.695 -3.618 -26.595 1.00 0.00 O ATOM 70 CB MET A 8 -17.154 -2.237 -29.151 1.00 0.00 C ATOM 71 CG MET A 8 -18.584 -2.540 -29.569 1.00 0.00 C ATOM 72 SD MET A 8 -19.724 -1.203 -29.166 1.00 0.00 S ATOM 73 CE MET A 8 -20.587 -1.906 -27.762 1.00 0.00 C ATOM 0 H MET A 8 -15.117 -1.405 -26.913 1.00 0.00 H new ATOM 0 HA MET A 8 -17.916 -1.422 -27.313 1.00 0.00 H new ATOM 0 HB2 MET A 8 -16.784 -1.394 -29.735 1.00 0.00 H new ATOM 0 HB3 MET A 8 -16.524 -3.093 -29.393 1.00 0.00 H new ATOM 0 HG2 MET A 8 -18.613 -2.725 -30.643 1.00 0.00 H new ATOM 0 HG3 MET A 8 -18.916 -3.455 -29.078 1.00 0.00 H new ATOM 0 HE1 MET A 8 -21.614 -1.540 -27.745 1.00 0.00 H new ATOM 0 HE2 MET A 8 -20.590 -2.993 -27.844 1.00 0.00 H new ATOM 0 HE3 MET A 8 -20.083 -1.613 -26.841 1.00 0.00 H new ATOM 83 N ALA A 9 -17.932 -3.832 -26.498 1.00 0.00 N ATOM 84 CA ALA A 9 -17.890 -5.074 -25.736 1.00 0.00 C ATOM 85 C ALA A 9 -18.931 -6.065 -26.244 1.00 0.00 C ATOM 86 O ALA A 9 -19.802 -5.712 -27.039 1.00 0.00 O ATOM 87 CB ALA A 9 -18.105 -4.792 -24.256 1.00 0.00 C ATOM 0 H ALA A 9 -18.872 -3.501 -26.714 1.00 0.00 H new ATOM 0 HA ALA A 9 -16.905 -5.521 -25.871 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -18.071 -5.728 -23.699 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -17.321 -4.126 -23.895 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -19.077 -4.319 -24.113 1.00 0.00 H new ATOM 93 N SER A 10 -18.835 -7.307 -25.780 1.00 0.00 N ATOM 94 CA SER A 10 -19.766 -8.351 -26.192 1.00 0.00 C ATOM 95 C SER A 10 -20.655 -8.776 -25.027 1.00 0.00 C ATOM 96 O SER A 10 -20.173 -9.026 -23.923 1.00 0.00 O ATOM 97 CB SER A 10 -19.002 -9.561 -26.733 1.00 0.00 C ATOM 98 OG SER A 10 -19.773 -10.262 -27.694 1.00 0.00 O ATOM 0 H SER A 10 -18.122 -7.615 -25.119 1.00 0.00 H new ATOM 0 HA SER A 10 -20.399 -7.948 -26.982 1.00 0.00 H new ATOM 0 HB2 SER A 10 -18.065 -9.232 -27.183 1.00 0.00 H new ATOM 0 HB3 SER A 10 -18.744 -10.229 -25.911 1.00 0.00 H new ATOM 0 HG SER A 10 -19.262 -11.030 -28.026 1.00 0.00 H new ATOM 104 N GLY A 11 -21.958 -8.855 -25.282 1.00 0.00 N ATOM 105 CA GLY A 11 -22.894 -9.250 -24.247 1.00 0.00 C ATOM 106 C GLY A 11 -23.312 -10.702 -24.366 1.00 0.00 C ATOM 107 O GLY A 11 -24.168 -11.042 -25.182 1.00 0.00 O ATOM 0 H GLY A 11 -22.381 -8.652 -26.188 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -22.441 -9.085 -23.270 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -23.778 -8.615 -24.300 1.00 0.00 H new ATOM 111 N GLN A 12 -22.706 -11.559 -23.551 1.00 0.00 N ATOM 112 CA GLN A 12 -23.019 -12.983 -23.571 1.00 0.00 C ATOM 113 C GLN A 12 -24.189 -13.296 -22.644 1.00 0.00 C ATOM 114 O GLN A 12 -24.605 -12.455 -21.846 1.00 0.00 O ATOM 115 CB GLN A 12 -21.794 -13.802 -23.161 1.00 0.00 C ATOM 116 CG GLN A 12 -21.341 -13.546 -21.733 1.00 0.00 C ATOM 117 CD GLN A 12 -20.355 -12.399 -21.631 1.00 0.00 C ATOM 118 OE1 GLN A 12 -19.441 -12.277 -22.446 1.00 0.00 O ATOM 119 NE2 GLN A 12 -20.535 -11.550 -20.626 1.00 0.00 N ATOM 0 H GLN A 12 -21.996 -11.292 -22.869 1.00 0.00 H new ATOM 0 HA GLN A 12 -23.303 -13.253 -24.588 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -22.021 -14.862 -23.277 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -20.972 -13.576 -23.840 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -22.211 -13.329 -21.113 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -20.883 -14.451 -21.333 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -21.306 -11.689 -19.973 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -19.902 -10.759 -20.507 1.00 0.00 H new ATOM 128 N PHE A 13 -24.716 -14.511 -22.754 1.00 0.00 N ATOM 129 CA PHE A 13 -25.839 -14.935 -21.926 1.00 0.00 C ATOM 130 C PHE A 13 -25.597 -14.586 -20.460 1.00 0.00 C ATOM 131 O PHE A 13 -24.600 -15.000 -19.868 1.00 0.00 O ATOM 132 CB PHE A 13 -26.068 -16.441 -22.072 1.00 0.00 C ATOM 133 CG PHE A 13 -26.337 -16.872 -23.485 1.00 0.00 C ATOM 134 CD1 PHE A 13 -27.598 -16.725 -24.040 1.00 0.00 C ATOM 135 CD2 PHE A 13 -25.329 -17.425 -24.259 1.00 0.00 C ATOM 136 CE1 PHE A 13 -27.849 -17.120 -25.341 1.00 0.00 C ATOM 137 CE2 PHE A 13 -25.574 -17.822 -25.560 1.00 0.00 C ATOM 138 CZ PHE A 13 -26.836 -17.670 -26.101 1.00 0.00 C ATOM 0 H PHE A 13 -24.383 -15.219 -23.408 1.00 0.00 H new ATOM 0 HA PHE A 13 -26.729 -14.404 -22.265 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -25.192 -16.971 -21.699 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -26.909 -16.735 -21.444 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -28.394 -16.297 -23.449 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -24.341 -17.547 -23.841 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -28.836 -16.998 -25.762 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -24.780 -18.251 -26.153 1.00 0.00 H new ATOM 0 HZ PHE A 13 -27.030 -17.981 -27.117 1.00 0.00 H new ATOM 148 N VAL A 14 -26.516 -13.820 -19.881 1.00 0.00 N ATOM 149 CA VAL A 14 -26.404 -13.415 -18.485 1.00 0.00 C ATOM 150 C VAL A 14 -26.950 -14.492 -17.554 1.00 0.00 C ATOM 151 O VAL A 14 -27.660 -14.196 -16.594 1.00 0.00 O ATOM 152 CB VAL A 14 -27.154 -12.096 -18.221 1.00 0.00 C ATOM 153 CG1 VAL A 14 -28.649 -12.281 -18.433 1.00 0.00 C ATOM 154 CG2 VAL A 14 -26.865 -11.591 -16.816 1.00 0.00 C ATOM 0 H VAL A 14 -27.346 -13.467 -20.357 1.00 0.00 H new ATOM 0 HA VAL A 14 -25.343 -13.268 -18.283 1.00 0.00 H new ATOM 0 HB VAL A 14 -26.800 -11.348 -18.931 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -29.163 -11.339 -18.242 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -28.835 -12.594 -19.460 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -29.022 -13.043 -17.749 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -27.403 -10.658 -16.647 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -27.190 -12.335 -16.088 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -25.795 -11.418 -16.705 1.00 0.00 H new ATOM 164 N ASN A 15 -26.612 -15.744 -17.845 1.00 0.00 N ATOM 165 CA ASN A 15 -27.068 -16.867 -17.034 1.00 0.00 C ATOM 166 C ASN A 15 -26.173 -17.056 -15.813 1.00 0.00 C ATOM 167 O ASN A 15 -26.630 -17.491 -14.756 1.00 0.00 O ATOM 168 CB ASN A 15 -27.089 -18.150 -17.867 1.00 0.00 C ATOM 169 CG ASN A 15 -28.079 -18.078 -19.015 1.00 0.00 C ATOM 170 OD1 ASN A 15 -28.781 -17.081 -19.181 1.00 0.00 O ATOM 171 ND2 ASN A 15 -28.138 -19.139 -19.812 1.00 0.00 N ATOM 0 H ASN A 15 -26.024 -16.006 -18.636 1.00 0.00 H new ATOM 0 HA ASN A 15 -28.079 -16.647 -16.691 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -26.091 -18.340 -18.263 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -27.343 -18.993 -17.224 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -28.785 -19.149 -20.600 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -27.536 -19.944 -19.636 1.00 0.00 H new ATOM 178 N LYS A 16 -24.896 -16.723 -15.966 1.00 0.00 N ATOM 179 CA LYS A 16 -23.936 -16.853 -14.876 1.00 0.00 C ATOM 180 C LYS A 16 -23.695 -15.507 -14.200 1.00 0.00 C ATOM 181 O LYS A 16 -23.178 -14.574 -14.817 1.00 0.00 O ATOM 182 CB LYS A 16 -22.613 -17.417 -15.399 1.00 0.00 C ATOM 183 CG LYS A 16 -22.613 -18.929 -15.550 1.00 0.00 C ATOM 184 CD LYS A 16 -23.548 -19.378 -16.661 1.00 0.00 C ATOM 185 CE LYS A 16 -23.319 -20.837 -17.025 1.00 0.00 C ATOM 186 NZ LYS A 16 -23.894 -21.172 -18.357 1.00 0.00 N ATOM 0 H LYS A 16 -24.502 -16.361 -16.834 1.00 0.00 H new ATOM 0 HA LYS A 16 -24.351 -17.541 -14.139 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -22.391 -16.964 -16.365 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -21.811 -17.128 -14.720 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -21.601 -19.274 -15.763 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -22.916 -19.390 -14.610 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -24.582 -19.238 -16.347 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -23.395 -18.754 -17.541 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -22.249 -21.047 -17.028 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -23.768 -21.476 -16.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -23.717 -22.175 -18.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -24.919 -20.995 -18.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -23.448 -20.580 -19.087 1.00 0.00 H new ATOM 200 N LEU A 17 -24.070 -15.413 -12.929 1.00 0.00 N ATOM 201 CA LEU A 17 -23.893 -14.181 -12.168 1.00 0.00 C ATOM 202 C LEU A 17 -22.493 -13.611 -12.373 1.00 0.00 C ATOM 203 O LEU A 17 -21.640 -14.245 -12.993 1.00 0.00 O ATOM 204 CB LEU A 17 -24.140 -14.437 -10.681 1.00 0.00 C ATOM 205 CG LEU A 17 -23.500 -15.699 -10.102 1.00 0.00 C ATOM 206 CD1 LEU A 17 -22.020 -15.473 -9.833 1.00 0.00 C ATOM 207 CD2 LEU A 17 -24.216 -16.124 -8.828 1.00 0.00 C ATOM 0 H LEU A 17 -24.499 -16.175 -12.404 1.00 0.00 H new ATOM 0 HA LEU A 17 -24.618 -13.452 -12.530 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -23.774 -13.578 -10.119 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -25.216 -14.491 -10.516 1.00 0.00 H new ATOM 0 HG LEU A 17 -23.597 -16.500 -10.835 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -21.582 -16.382 -9.421 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -21.516 -15.217 -10.765 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -21.900 -14.657 -9.120 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -23.747 -17.024 -8.430 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -24.151 -15.324 -8.090 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -25.263 -16.329 -9.050 1.00 0.00 H new ATOM 219 N GLN A 18 -22.264 -12.413 -11.844 1.00 0.00 N ATOM 220 CA GLN A 18 -20.966 -11.760 -11.967 1.00 0.00 C ATOM 221 C GLN A 18 -20.750 -10.761 -10.835 1.00 0.00 C ATOM 222 O GLN A 18 -21.363 -9.695 -10.810 1.00 0.00 O ATOM 223 CB GLN A 18 -20.856 -11.049 -13.318 1.00 0.00 C ATOM 224 CG GLN A 18 -20.467 -11.973 -14.461 1.00 0.00 C ATOM 225 CD GLN A 18 -20.091 -11.216 -15.720 1.00 0.00 C ATOM 226 OE1 GLN A 18 -18.915 -10.946 -15.967 1.00 0.00 O ATOM 227 NE2 GLN A 18 -21.089 -10.871 -16.524 1.00 0.00 N ATOM 0 H GLN A 18 -22.960 -11.876 -11.327 1.00 0.00 H new ATOM 0 HA GLN A 18 -20.194 -12.527 -11.903 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -21.811 -10.579 -13.551 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -20.118 -10.250 -13.240 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -19.627 -12.595 -14.151 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -21.297 -12.644 -14.679 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -22.049 -11.116 -16.280 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -20.896 -10.361 -17.386 1.00 0.00 H new ATOM 236 N GLU A 19 -19.874 -11.116 -9.900 1.00 0.00 N ATOM 237 CA GLU A 19 -19.579 -10.250 -8.764 1.00 0.00 C ATOM 238 C GLU A 19 -18.624 -9.130 -9.167 1.00 0.00 C ATOM 239 O GLU A 19 -17.518 -9.385 -9.642 1.00 0.00 O ATOM 240 CB GLU A 19 -18.972 -11.064 -7.618 1.00 0.00 C ATOM 241 CG GLU A 19 -17.902 -12.044 -8.068 1.00 0.00 C ATOM 242 CD GLU A 19 -16.920 -12.382 -6.964 1.00 0.00 C ATOM 243 OE1 GLU A 19 -15.912 -11.657 -6.824 1.00 0.00 O ATOM 244 OE2 GLU A 19 -17.157 -13.371 -6.240 1.00 0.00 O ATOM 0 H GLU A 19 -19.357 -11.995 -9.907 1.00 0.00 H new ATOM 0 HA GLU A 19 -20.515 -9.803 -8.428 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -18.542 -10.380 -6.886 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -19.767 -11.613 -7.113 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -18.378 -12.960 -8.419 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -17.360 -11.622 -8.914 1.00 0.00 H new ATOM 251 N GLU A 20 -19.062 -7.890 -8.976 1.00 0.00 N ATOM 252 CA GLU A 20 -18.248 -6.731 -9.321 1.00 0.00 C ATOM 253 C GLU A 20 -17.117 -6.541 -8.314 1.00 0.00 C ATOM 254 O GLU A 20 -17.339 -6.559 -7.103 1.00 0.00 O ATOM 255 CB GLU A 20 -19.113 -5.470 -9.377 1.00 0.00 C ATOM 256 CG GLU A 20 -19.570 -4.984 -8.012 1.00 0.00 C ATOM 257 CD GLU A 20 -20.737 -4.020 -8.096 1.00 0.00 C ATOM 258 OE1 GLU A 20 -21.483 -4.079 -9.096 1.00 0.00 O ATOM 259 OE2 GLU A 20 -20.904 -3.206 -7.164 1.00 0.00 O ATOM 0 H GLU A 20 -19.976 -7.662 -8.584 1.00 0.00 H new ATOM 0 HA GLU A 20 -17.811 -6.906 -10.304 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -18.550 -4.675 -9.867 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -19.989 -5.668 -9.995 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -19.855 -5.841 -7.402 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -18.737 -4.496 -7.506 1.00 0.00 H new ATOM 266 N VAL A 21 -15.903 -6.358 -8.823 1.00 0.00 N ATOM 267 CA VAL A 21 -14.737 -6.165 -7.970 1.00 0.00 C ATOM 268 C VAL A 21 -14.671 -4.734 -7.446 1.00 0.00 C ATOM 269 O VAL A 21 -14.756 -3.776 -8.215 1.00 0.00 O ATOM 270 CB VAL A 21 -13.431 -6.485 -8.722 1.00 0.00 C ATOM 271 CG1 VAL A 21 -12.230 -6.301 -7.808 1.00 0.00 C ATOM 272 CG2 VAL A 21 -13.473 -7.898 -9.283 1.00 0.00 C ATOM 0 H VAL A 21 -15.702 -6.339 -9.823 1.00 0.00 H new ATOM 0 HA VAL A 21 -14.842 -6.853 -7.131 1.00 0.00 H new ATOM 0 HB VAL A 21 -13.332 -5.790 -9.556 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -11.317 -6.532 -8.356 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -12.193 -5.269 -7.459 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -12.318 -6.970 -6.952 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -12.543 -8.108 -9.811 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -13.595 -8.610 -8.467 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -14.311 -7.990 -9.974 1.00 0.00 H new ATOM 282 N ILE A 22 -14.518 -4.597 -6.133 1.00 0.00 N ATOM 283 CA ILE A 22 -14.439 -3.284 -5.507 1.00 0.00 C ATOM 284 C ILE A 22 -13.094 -3.085 -4.815 1.00 0.00 C ATOM 285 O ILE A 22 -12.444 -4.048 -4.410 1.00 0.00 O ATOM 286 CB ILE A 22 -15.567 -3.081 -4.479 1.00 0.00 C ATOM 287 CG1 ILE A 22 -16.917 -3.465 -5.088 1.00 0.00 C ATOM 288 CG2 ILE A 22 -15.590 -1.640 -3.993 1.00 0.00 C ATOM 289 CD1 ILE A 22 -18.031 -3.572 -4.070 1.00 0.00 C ATOM 0 H ILE A 22 -14.446 -5.380 -5.483 1.00 0.00 H new ATOM 0 HA ILE A 22 -14.548 -2.548 -6.304 1.00 0.00 H new ATOM 0 HB ILE A 22 -15.378 -3.729 -3.623 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -17.192 -2.724 -5.839 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -16.815 -4.419 -5.605 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -16.393 -1.514 -3.267 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -14.636 -1.399 -3.524 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -15.757 -0.973 -4.839 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -18.958 -3.847 -4.573 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -17.778 -4.334 -3.333 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -18.161 -2.612 -3.570 1.00 0.00 H new ATOM 301 N CYS A 23 -12.684 -1.828 -4.682 1.00 0.00 N ATOM 302 CA CYS A 23 -11.418 -1.500 -4.038 1.00 0.00 C ATOM 303 C CYS A 23 -11.527 -1.637 -2.522 1.00 0.00 C ATOM 304 O CYS A 23 -12.343 -0.982 -1.872 1.00 0.00 O ATOM 305 CB CYS A 23 -10.989 -0.078 -4.403 1.00 0.00 C ATOM 306 SG CYS A 23 -9.298 0.347 -3.877 1.00 0.00 S ATOM 0 H CYS A 23 -13.211 -1.019 -5.012 1.00 0.00 H new ATOM 0 HA CYS A 23 -10.665 -2.202 -4.395 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -11.064 0.047 -5.483 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -11.686 0.628 -3.952 1.00 0.00 H new ATOM 311 N PRO A 24 -10.686 -2.508 -1.945 1.00 0.00 N ATOM 312 CA PRO A 24 -10.668 -2.750 -0.499 1.00 0.00 C ATOM 313 C PRO A 24 -10.126 -1.558 0.282 1.00 0.00 C ATOM 314 O PRO A 24 -9.958 -1.627 1.500 1.00 0.00 O ATOM 315 CB PRO A 24 -9.734 -3.954 -0.354 1.00 0.00 C ATOM 316 CG PRO A 24 -8.848 -3.893 -1.550 1.00 0.00 C ATOM 317 CD PRO A 24 -9.688 -3.322 -2.658 1.00 0.00 C ATOM 0 HA PRO A 24 -11.669 -2.918 -0.101 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -9.157 -3.898 0.569 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -10.294 -4.888 -0.324 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -7.976 -3.267 -1.359 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -8.477 -4.884 -1.812 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -9.093 -2.719 -3.343 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -10.159 -4.107 -3.251 1.00 0.00 H new ATOM 325 N ILE A 25 -9.854 -0.467 -0.426 1.00 0.00 N ATOM 326 CA ILE A 25 -9.332 0.740 0.203 1.00 0.00 C ATOM 327 C ILE A 25 -10.406 1.819 0.296 1.00 0.00 C ATOM 328 O ILE A 25 -10.730 2.296 1.384 1.00 0.00 O ATOM 329 CB ILE A 25 -8.124 1.300 -0.570 1.00 0.00 C ATOM 330 CG1 ILE A 25 -6.995 0.268 -0.612 1.00 0.00 C ATOM 331 CG2 ILE A 25 -7.641 2.595 0.067 1.00 0.00 C ATOM 332 CD1 ILE A 25 -5.889 0.621 -1.582 1.00 0.00 C ATOM 0 H ILE A 25 -9.986 -0.394 -1.435 1.00 0.00 H new ATOM 0 HA ILE A 25 -9.013 0.460 1.207 1.00 0.00 H new ATOM 0 HB ILE A 25 -8.434 1.514 -1.593 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -6.572 0.164 0.387 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -7.410 -0.702 -0.885 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -6.787 2.978 -0.491 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -8.445 3.331 0.050 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -7.345 2.405 1.099 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -5.123 -0.155 -1.559 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -6.299 0.696 -2.589 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -5.447 1.576 -1.298 1.00 0.00 H new ATOM 344 N CYS A 26 -10.957 2.199 -0.852 1.00 0.00 N ATOM 345 CA CYS A 26 -11.995 3.220 -0.902 1.00 0.00 C ATOM 346 C CYS A 26 -13.381 2.584 -0.979 1.00 0.00 C ATOM 347 O CYS A 26 -14.387 3.222 -0.667 1.00 0.00 O ATOM 348 CB CYS A 26 -11.777 4.141 -2.104 1.00 0.00 C ATOM 349 SG CYS A 26 -11.602 3.264 -3.691 1.00 0.00 S ATOM 0 H CYS A 26 -10.701 1.814 -1.761 1.00 0.00 H new ATOM 0 HA CYS A 26 -11.935 3.808 0.014 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -12.616 4.833 -2.174 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -10.883 4.740 -1.932 1.00 0.00 H new ATOM 354 N LEU A 27 -13.424 1.324 -1.397 1.00 0.00 N ATOM 355 CA LEU A 27 -14.685 0.601 -1.515 1.00 0.00 C ATOM 356 C LEU A 27 -15.503 1.121 -2.693 1.00 0.00 C ATOM 357 O LEU A 27 -16.701 1.378 -2.564 1.00 0.00 O ATOM 358 CB LEU A 27 -15.493 0.728 -0.222 1.00 0.00 C ATOM 359 CG LEU A 27 -14.715 0.523 1.078 1.00 0.00 C ATOM 360 CD1 LEU A 27 -15.575 0.888 2.278 1.00 0.00 C ATOM 361 CD2 LEU A 27 -14.227 -0.914 1.186 1.00 0.00 C ATOM 0 H LEU A 27 -12.601 0.782 -1.660 1.00 0.00 H new ATOM 0 HA LEU A 27 -14.457 -0.450 -1.691 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -15.948 1.718 -0.197 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -16.307 0.004 -0.253 1.00 0.00 H new ATOM 0 HG LEU A 27 -13.846 1.181 1.067 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -15.005 0.736 3.194 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -15.874 1.934 2.206 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -16.463 0.257 2.295 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -13.675 -1.042 2.117 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -15.082 -1.590 1.175 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -13.574 -1.141 0.343 1.00 0.00 H new ATOM 373 N ASP A 28 -14.850 1.272 -3.839 1.00 0.00 N ATOM 374 CA ASP A 28 -15.517 1.759 -5.041 1.00 0.00 C ATOM 375 C ASP A 28 -15.253 0.831 -6.223 1.00 0.00 C ATOM 376 O ASP A 28 -14.157 0.289 -6.366 1.00 0.00 O ATOM 377 CB ASP A 28 -15.046 3.176 -5.374 1.00 0.00 C ATOM 378 CG ASP A 28 -15.683 3.715 -6.639 1.00 0.00 C ATOM 379 OD1 ASP A 28 -16.826 3.317 -6.946 1.00 0.00 O ATOM 380 OD2 ASP A 28 -15.038 4.537 -7.324 1.00 0.00 O ATOM 0 H ASP A 28 -13.859 1.064 -3.962 1.00 0.00 H new ATOM 0 HA ASP A 28 -16.590 1.777 -4.849 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -15.281 3.839 -4.541 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -13.962 3.178 -5.487 1.00 0.00 H new ATOM 385 N ILE A 29 -16.265 0.653 -7.066 1.00 0.00 N ATOM 386 CA ILE A 29 -16.141 -0.209 -8.235 1.00 0.00 C ATOM 387 C ILE A 29 -14.773 -0.056 -8.889 1.00 0.00 C ATOM 388 O ILE A 29 -14.506 0.936 -9.570 1.00 0.00 O ATOM 389 CB ILE A 29 -17.234 0.095 -9.277 1.00 0.00 C ATOM 390 CG1 ILE A 29 -18.622 -0.124 -8.672 1.00 0.00 C ATOM 391 CG2 ILE A 29 -17.045 -0.774 -10.511 1.00 0.00 C ATOM 392 CD1 ILE A 29 -19.738 0.503 -9.478 1.00 0.00 C ATOM 0 H ILE A 29 -17.179 1.094 -6.961 1.00 0.00 H new ATOM 0 HA ILE A 29 -16.260 -1.234 -7.885 1.00 0.00 H new ATOM 0 HB ILE A 29 -17.150 1.140 -9.576 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -18.806 -1.195 -8.583 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -18.639 0.287 -7.663 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -17.825 -0.548 -11.238 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -16.069 -0.573 -10.952 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -17.106 -1.825 -10.229 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -20.693 0.308 -8.990 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -19.578 1.579 -9.545 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -19.748 0.074 -10.480 1.00 0.00 H new ATOM 404 N LEU A 30 -13.909 -1.043 -8.680 1.00 0.00 N ATOM 405 CA LEU A 30 -12.567 -1.019 -9.252 1.00 0.00 C ATOM 406 C LEU A 30 -12.624 -1.004 -10.776 1.00 0.00 C ATOM 407 O LEU A 30 -12.773 -2.048 -11.411 1.00 0.00 O ATOM 408 CB LEU A 30 -11.765 -2.230 -8.772 1.00 0.00 C ATOM 409 CG LEU A 30 -10.980 -2.044 -7.473 1.00 0.00 C ATOM 410 CD1 LEU A 30 -10.600 -3.392 -6.882 1.00 0.00 C ATOM 411 CD2 LEU A 30 -9.739 -1.197 -7.717 1.00 0.00 C ATOM 0 H LEU A 30 -14.113 -1.870 -8.119 1.00 0.00 H new ATOM 0 HA LEU A 30 -12.073 -0.107 -8.917 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -12.452 -3.066 -8.641 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -11.065 -2.512 -9.559 1.00 0.00 H new ATOM 0 HG LEU A 30 -11.616 -1.523 -6.757 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -10.042 -3.240 -5.958 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -11.503 -3.964 -6.670 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -9.982 -3.940 -7.593 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -9.192 -1.075 -6.782 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -9.100 -1.690 -8.449 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -10.035 -0.218 -8.095 1.00 0.00 H new ATOM 423 N GLN A 31 -12.503 0.186 -11.356 1.00 0.00 N ATOM 424 CA GLN A 31 -12.540 0.336 -12.806 1.00 0.00 C ATOM 425 C GLN A 31 -11.200 -0.047 -13.427 1.00 0.00 C ATOM 426 O GLN A 31 -11.150 -0.640 -14.504 1.00 0.00 O ATOM 427 CB GLN A 31 -12.898 1.774 -13.182 1.00 0.00 C ATOM 428 CG GLN A 31 -12.998 2.004 -14.682 1.00 0.00 C ATOM 429 CD GLN A 31 -13.866 3.196 -15.033 1.00 0.00 C ATOM 430 OE1 GLN A 31 -13.700 4.284 -14.481 1.00 0.00 O ATOM 431 NE2 GLN A 31 -14.800 2.997 -15.956 1.00 0.00 N ATOM 0 H GLN A 31 -12.379 1.060 -10.844 1.00 0.00 H new ATOM 0 HA GLN A 31 -13.305 -0.335 -13.196 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -13.849 2.036 -12.718 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -12.146 2.447 -12.769 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -11.999 2.155 -15.090 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -13.405 1.111 -15.156 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -14.903 2.079 -16.388 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -15.415 3.762 -16.233 1.00 0.00 H new ATOM 440 N LYS A 32 -10.116 0.297 -12.740 1.00 0.00 N ATOM 441 CA LYS A 32 -8.775 -0.011 -13.223 1.00 0.00 C ATOM 442 C LYS A 32 -8.004 -0.836 -12.198 1.00 0.00 C ATOM 443 O LYS A 32 -7.224 -0.312 -11.403 1.00 0.00 O ATOM 444 CB LYS A 32 -8.013 1.280 -13.531 1.00 0.00 C ATOM 445 CG LYS A 32 -8.623 2.092 -14.660 1.00 0.00 C ATOM 446 CD LYS A 32 -9.567 3.160 -14.133 1.00 0.00 C ATOM 447 CE LYS A 32 -9.825 4.239 -15.173 1.00 0.00 C ATOM 448 NZ LYS A 32 -10.738 5.297 -14.660 1.00 0.00 N ATOM 0 H LYS A 32 -10.140 0.789 -11.847 1.00 0.00 H new ATOM 0 HA LYS A 32 -8.871 -0.597 -14.137 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -7.977 1.894 -12.631 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -6.983 1.032 -13.789 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -7.830 2.561 -15.241 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.163 1.429 -15.335 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -10.512 2.701 -13.842 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -9.143 3.612 -13.236 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -8.878 4.690 -15.471 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -10.258 3.787 -16.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -10.704 6.122 -15.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -11.710 4.929 -14.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -10.439 5.581 -13.705 1.00 0.00 H new ATOM 462 N PRO A 33 -8.224 -2.159 -12.215 1.00 0.00 N ATOM 463 CA PRO A 33 -7.558 -3.085 -11.295 1.00 0.00 C ATOM 464 C PRO A 33 -6.070 -3.230 -11.595 1.00 0.00 C ATOM 465 O PRO A 33 -5.676 -3.454 -12.740 1.00 0.00 O ATOM 466 CB PRO A 33 -8.284 -4.410 -11.537 1.00 0.00 C ATOM 467 CG PRO A 33 -8.811 -4.305 -12.927 1.00 0.00 C ATOM 468 CD PRO A 33 -9.141 -2.853 -13.136 1.00 0.00 C ATOM 0 HA PRO A 33 -7.607 -2.739 -10.262 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -7.606 -5.257 -11.434 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -9.090 -4.557 -10.818 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -8.071 -4.645 -13.652 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -9.695 -4.929 -13.057 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -8.979 -2.549 -14.170 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -10.184 -2.640 -12.901 1.00 0.00 H new ATOM 476 N VAL A 34 -5.247 -3.102 -10.559 1.00 0.00 N ATOM 477 CA VAL A 34 -3.802 -3.220 -10.712 1.00 0.00 C ATOM 478 C VAL A 34 -3.236 -4.287 -9.781 1.00 0.00 C ATOM 479 O VAL A 34 -3.121 -4.075 -8.573 1.00 0.00 O ATOM 480 CB VAL A 34 -3.096 -1.881 -10.429 1.00 0.00 C ATOM 481 CG1 VAL A 34 -1.591 -2.022 -10.605 1.00 0.00 C ATOM 482 CG2 VAL A 34 -3.646 -0.788 -11.333 1.00 0.00 C ATOM 0 H VAL A 34 -5.556 -2.917 -9.605 1.00 0.00 H new ATOM 0 HA VAL A 34 -3.616 -3.509 -11.747 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.292 -1.599 -9.394 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.110 -1.066 -10.401 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.213 -2.774 -9.913 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.371 -2.328 -11.628 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.136 0.151 -11.120 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.482 -1.061 -12.375 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -4.714 -0.670 -11.153 1.00 0.00 H new ATOM 492 N THR A 35 -2.884 -5.435 -10.350 1.00 0.00 N ATOM 493 CA THR A 35 -2.330 -6.536 -9.572 1.00 0.00 C ATOM 494 C THR A 35 -0.821 -6.396 -9.417 1.00 0.00 C ATOM 495 O THR A 35 -0.061 -6.707 -10.335 1.00 0.00 O ATOM 496 CB THR A 35 -2.643 -7.897 -10.222 1.00 0.00 C ATOM 497 OG1 THR A 35 -4.041 -7.986 -10.523 1.00 0.00 O ATOM 498 CG2 THR A 35 -2.243 -9.041 -9.303 1.00 0.00 C ATOM 0 H THR A 35 -2.973 -5.627 -11.348 1.00 0.00 H new ATOM 0 HA THR A 35 -2.799 -6.494 -8.589 1.00 0.00 H new ATOM 0 HB THR A 35 -2.067 -7.975 -11.144 1.00 0.00 H new ATOM 0 HG1 THR A 35 -4.232 -8.853 -10.937 1.00 0.00 H new ATOM 0 HG21 THR A 35 -2.474 -9.992 -9.784 1.00 0.00 H new ATOM 0 HG22 THR A 35 -1.173 -8.987 -9.100 1.00 0.00 H new ATOM 0 HG23 THR A 35 -2.795 -8.965 -8.366 1.00 0.00 H new ATOM 506 N ILE A 36 -0.392 -5.925 -8.250 1.00 0.00 N ATOM 507 CA ILE A 36 1.028 -5.746 -7.975 1.00 0.00 C ATOM 508 C ILE A 36 1.686 -7.068 -7.593 1.00 0.00 C ATOM 509 O ILE A 36 1.013 -8.088 -7.448 1.00 0.00 O ATOM 510 CB ILE A 36 1.258 -4.726 -6.844 1.00 0.00 C ATOM 511 CG1 ILE A 36 0.684 -5.253 -5.528 1.00 0.00 C ATOM 512 CG2 ILE A 36 0.630 -3.387 -7.203 1.00 0.00 C ATOM 513 CD1 ILE A 36 0.820 -4.281 -4.376 1.00 0.00 C ATOM 0 H ILE A 36 -1.008 -5.661 -7.481 1.00 0.00 H new ATOM 0 HA ILE A 36 1.481 -5.369 -8.892 1.00 0.00 H new ATOM 0 HB ILE A 36 2.331 -4.581 -6.718 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -0.370 -5.490 -5.670 1.00 0.00 H new ATOM 0 HG13 ILE A 36 1.188 -6.184 -5.268 1.00 0.00 H new ATOM 0 HG21 ILE A 36 0.801 -2.677 -6.394 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.081 -3.008 -8.120 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -0.442 -3.516 -7.352 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.392 -4.722 -3.476 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.874 -4.063 -4.207 1.00 0.00 H new ATOM 0 HD13 ILE A 36 0.292 -3.358 -4.615 1.00 0.00 H new ATOM 525 N ASP A 37 3.004 -7.041 -7.430 1.00 0.00 N ATOM 526 CA ASP A 37 3.753 -8.236 -7.062 1.00 0.00 C ATOM 527 C ASP A 37 3.097 -8.948 -5.883 1.00 0.00 C ATOM 528 O ASP A 37 2.935 -10.168 -5.892 1.00 0.00 O ATOM 529 CB ASP A 37 5.197 -7.872 -6.714 1.00 0.00 C ATOM 530 CG ASP A 37 6.150 -9.036 -6.904 1.00 0.00 C ATOM 531 OD1 ASP A 37 6.003 -9.764 -7.907 1.00 0.00 O ATOM 532 OD2 ASP A 37 7.042 -9.219 -6.048 1.00 0.00 O ATOM 0 H ASP A 37 3.576 -6.204 -7.547 1.00 0.00 H new ATOM 0 HA ASP A 37 3.753 -8.912 -7.917 1.00 0.00 H new ATOM 0 HB2 ASP A 37 5.519 -7.038 -7.337 1.00 0.00 H new ATOM 0 HB3 ASP A 37 5.244 -7.533 -5.679 1.00 0.00 H new ATOM 537 N CYS A 38 2.721 -8.176 -4.868 1.00 0.00 N ATOM 538 CA CYS A 38 2.083 -8.731 -3.681 1.00 0.00 C ATOM 539 C CYS A 38 0.999 -9.735 -4.064 1.00 0.00 C ATOM 540 O CYS A 38 0.917 -10.823 -3.496 1.00 0.00 O ATOM 541 CB CYS A 38 1.479 -7.612 -2.830 1.00 0.00 C ATOM 542 SG CYS A 38 -0.252 -7.218 -3.239 1.00 0.00 S ATOM 0 H CYS A 38 2.848 -7.164 -4.845 1.00 0.00 H new ATOM 0 HA CYS A 38 2.845 -9.250 -3.099 1.00 0.00 H new ATOM 0 HB2 CYS A 38 1.537 -7.897 -1.780 1.00 0.00 H new ATOM 0 HB3 CYS A 38 2.083 -6.713 -2.950 1.00 0.00 H new ATOM 547 N GLY A 39 0.169 -9.360 -5.032 1.00 0.00 N ATOM 548 CA GLY A 39 -0.899 -10.238 -5.475 1.00 0.00 C ATOM 549 C GLY A 39 -2.272 -9.713 -5.106 1.00 0.00 C ATOM 550 O GLY A 39 -3.178 -10.487 -4.797 1.00 0.00 O ATOM 0 H GLY A 39 0.217 -8.464 -5.518 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -0.839 -10.361 -6.556 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.760 -11.225 -5.034 1.00 0.00 H new ATOM 554 N HIS A 40 -2.427 -8.393 -5.136 1.00 0.00 N ATOM 555 CA HIS A 40 -3.700 -7.764 -4.800 1.00 0.00 C ATOM 556 C HIS A 40 -4.085 -6.723 -5.847 1.00 0.00 C ATOM 557 O HIS A 40 -3.221 -6.122 -6.484 1.00 0.00 O ATOM 558 CB HIS A 40 -3.622 -7.112 -3.420 1.00 0.00 C ATOM 559 CG HIS A 40 -3.581 -8.098 -2.293 1.00 0.00 C ATOM 560 ND1 HIS A 40 -3.069 -7.798 -1.048 1.00 0.00 N ATOM 561 CD2 HIS A 40 -3.994 -9.385 -2.227 1.00 0.00 C ATOM 562 CE1 HIS A 40 -3.167 -8.858 -0.267 1.00 0.00 C ATOM 563 NE2 HIS A 40 -3.725 -9.835 -0.958 1.00 0.00 N ATOM 0 H HIS A 40 -1.687 -7.738 -5.389 1.00 0.00 H new ATOM 0 HA HIS A 40 -4.467 -8.538 -4.785 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -2.733 -6.483 -3.374 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -4.483 -6.457 -3.288 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -4.450 -9.953 -3.024 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -2.845 -8.916 0.762 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -3.924 -10.772 -0.606 1.00 0.00 H new ATOM 571 N ASN A 41 -5.386 -6.517 -6.019 1.00 0.00 N ATOM 572 CA ASN A 41 -5.885 -5.550 -6.989 1.00 0.00 C ATOM 573 C ASN A 41 -6.358 -4.276 -6.294 1.00 0.00 C ATOM 574 O ASN A 41 -7.146 -4.327 -5.350 1.00 0.00 O ATOM 575 CB ASN A 41 -7.031 -6.156 -7.802 1.00 0.00 C ATOM 576 CG ASN A 41 -6.540 -7.118 -8.866 1.00 0.00 C ATOM 577 OD1 ASN A 41 -6.482 -6.777 -10.048 1.00 0.00 O ATOM 578 ND2 ASN A 41 -6.183 -8.327 -8.451 1.00 0.00 N ATOM 0 H ASN A 41 -6.114 -7.007 -5.499 1.00 0.00 H new ATOM 0 HA ASN A 41 -5.067 -5.293 -7.662 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -7.712 -6.678 -7.131 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -7.600 -5.356 -8.275 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -5.844 -9.017 -9.121 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -6.248 -8.566 -7.462 1.00 0.00 H new ATOM 585 N PHE A 42 -5.871 -3.134 -6.769 1.00 0.00 N ATOM 586 CA PHE A 42 -6.242 -1.847 -6.194 1.00 0.00 C ATOM 587 C PHE A 42 -6.663 -0.865 -7.283 1.00 0.00 C ATOM 588 O PHE A 42 -6.538 -1.151 -8.475 1.00 0.00 O ATOM 589 CB PHE A 42 -5.076 -1.267 -5.392 1.00 0.00 C ATOM 590 CG PHE A 42 -4.736 -2.065 -4.165 1.00 0.00 C ATOM 591 CD1 PHE A 42 -5.569 -2.046 -3.058 1.00 0.00 C ATOM 592 CD2 PHE A 42 -3.584 -2.833 -4.119 1.00 0.00 C ATOM 593 CE1 PHE A 42 -5.259 -2.779 -1.928 1.00 0.00 C ATOM 594 CE2 PHE A 42 -3.269 -3.568 -2.992 1.00 0.00 C ATOM 595 CZ PHE A 42 -4.107 -3.540 -1.895 1.00 0.00 C ATOM 0 H PHE A 42 -5.219 -3.074 -7.551 1.00 0.00 H new ATOM 0 HA PHE A 42 -7.089 -2.007 -5.527 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -4.197 -1.210 -6.034 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -5.321 -0.247 -5.096 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -6.471 -1.452 -3.078 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -2.924 -2.858 -4.974 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -5.917 -2.757 -1.072 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -2.368 -4.164 -2.969 1.00 0.00 H new ATOM 0 HZ PHE A 42 -3.862 -4.112 -1.012 1.00 0.00 H new ATOM 605 N CYS A 43 -7.163 0.293 -6.867 1.00 0.00 N ATOM 606 CA CYS A 43 -7.604 1.318 -7.805 1.00 0.00 C ATOM 607 C CYS A 43 -6.583 2.449 -7.894 1.00 0.00 C ATOM 608 O CYS A 43 -6.048 2.899 -6.880 1.00 0.00 O ATOM 609 CB CYS A 43 -8.964 1.876 -7.381 1.00 0.00 C ATOM 610 SG CYS A 43 -8.864 3.322 -6.278 1.00 0.00 S ATOM 0 H CYS A 43 -7.273 0.545 -5.885 1.00 0.00 H new ATOM 0 HA CYS A 43 -7.698 0.859 -8.789 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -9.526 2.152 -8.274 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -9.527 1.089 -6.880 1.00 0.00 H new ATOM 615 N LEU A 44 -6.319 2.905 -9.114 1.00 0.00 N ATOM 616 CA LEU A 44 -5.363 3.984 -9.337 1.00 0.00 C ATOM 617 C LEU A 44 -5.545 5.094 -8.307 1.00 0.00 C ATOM 618 O LEU A 44 -4.629 5.408 -7.547 1.00 0.00 O ATOM 619 CB LEU A 44 -5.524 4.551 -10.748 1.00 0.00 C ATOM 620 CG LEU A 44 -4.554 5.667 -11.138 1.00 0.00 C ATOM 621 CD1 LEU A 44 -3.162 5.105 -11.382 1.00 0.00 C ATOM 622 CD2 LEU A 44 -5.057 6.405 -12.370 1.00 0.00 C ATOM 0 H LEU A 44 -6.753 2.544 -9.963 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.359 3.574 -9.229 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.412 3.734 -11.461 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -6.541 4.928 -10.852 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.497 6.376 -10.312 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.486 5.914 -11.658 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.800 4.624 -10.474 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.201 4.374 -12.189 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.354 7.196 -12.633 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -5.145 5.706 -13.202 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -6.033 6.843 -12.159 1.00 0.00 H new ATOM 634 N LYS A 45 -6.735 5.685 -8.286 1.00 0.00 N ATOM 635 CA LYS A 45 -7.041 6.759 -7.348 1.00 0.00 C ATOM 636 C LYS A 45 -6.430 6.475 -5.979 1.00 0.00 C ATOM 637 O LYS A 45 -6.044 7.395 -5.258 1.00 0.00 O ATOM 638 CB LYS A 45 -8.555 6.934 -7.217 1.00 0.00 C ATOM 639 CG LYS A 45 -9.263 7.121 -8.547 1.00 0.00 C ATOM 640 CD LYS A 45 -10.591 7.840 -8.375 1.00 0.00 C ATOM 641 CE LYS A 45 -10.404 9.348 -8.308 1.00 0.00 C ATOM 642 NZ LYS A 45 -10.473 9.977 -9.656 1.00 0.00 N ATOM 0 H LYS A 45 -7.504 5.438 -8.909 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.608 7.681 -7.736 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -8.971 6.061 -6.713 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -8.759 7.796 -6.582 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -8.625 7.690 -9.223 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -9.432 6.149 -9.010 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -11.251 7.591 -9.206 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -11.079 7.492 -7.465 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -11.171 9.781 -7.666 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -9.441 9.574 -7.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -10.341 11.005 -9.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -9.725 9.583 -10.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -11.402 9.783 -10.082 1.00 0.00 H new ATOM 656 N CYS A 46 -6.345 5.196 -5.628 1.00 0.00 N ATOM 657 CA CYS A 46 -5.781 4.790 -4.346 1.00 0.00 C ATOM 658 C CYS A 46 -4.272 4.594 -4.455 1.00 0.00 C ATOM 659 O CYS A 46 -3.493 5.390 -3.930 1.00 0.00 O ATOM 660 CB CYS A 46 -6.441 3.499 -3.861 1.00 0.00 C ATOM 661 SG CYS A 46 -7.891 3.762 -2.790 1.00 0.00 S ATOM 0 H CYS A 46 -6.660 4.423 -6.214 1.00 0.00 H new ATOM 0 HA CYS A 46 -5.976 5.582 -3.623 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -6.744 2.911 -4.727 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -5.703 2.909 -3.317 1.00 0.00 H new ATOM 666 N ILE A 47 -3.867 3.528 -5.138 1.00 0.00 N ATOM 667 CA ILE A 47 -2.452 3.228 -5.316 1.00 0.00 C ATOM 668 C ILE A 47 -1.634 4.505 -5.474 1.00 0.00 C ATOM 669 O ILE A 47 -0.506 4.598 -4.991 1.00 0.00 O ATOM 670 CB ILE A 47 -2.218 2.326 -6.542 1.00 0.00 C ATOM 671 CG1 ILE A 47 -2.974 1.005 -6.383 1.00 0.00 C ATOM 672 CG2 ILE A 47 -0.731 2.071 -6.736 1.00 0.00 C ATOM 673 CD1 ILE A 47 -2.952 0.143 -7.626 1.00 0.00 C ATOM 0 H ILE A 47 -4.499 2.858 -5.577 1.00 0.00 H new ATOM 0 HA ILE A 47 -2.126 2.700 -4.420 1.00 0.00 H new ATOM 0 HB ILE A 47 -2.598 2.836 -7.427 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -2.540 0.445 -5.555 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -4.009 1.218 -6.117 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.582 1.432 -7.606 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -0.216 3.019 -6.890 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.328 1.579 -5.851 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -3.507 -0.777 -7.441 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -3.412 0.684 -8.452 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -1.921 -0.101 -7.882 1.00 0.00 H new ATOM 685 N THR A 48 -2.212 5.491 -6.154 1.00 0.00 N ATOM 686 CA THR A 48 -1.539 6.764 -6.376 1.00 0.00 C ATOM 687 C THR A 48 -1.522 7.606 -5.106 1.00 0.00 C ATOM 688 O THR A 48 -0.499 8.193 -4.753 1.00 0.00 O ATOM 689 CB THR A 48 -2.214 7.568 -7.503 1.00 0.00 C ATOM 690 OG1 THR A 48 -2.339 6.757 -8.676 1.00 0.00 O ATOM 691 CG2 THR A 48 -1.414 8.820 -7.829 1.00 0.00 C ATOM 0 H THR A 48 -3.146 5.431 -6.561 1.00 0.00 H new ATOM 0 HA THR A 48 -0.515 6.533 -6.669 1.00 0.00 H new ATOM 0 HB THR A 48 -3.205 7.868 -7.162 1.00 0.00 H new ATOM 0 HG1 THR A 48 -3.108 6.157 -8.578 1.00 0.00 H new ATOM 0 HG21 THR A 48 -1.910 9.371 -8.628 1.00 0.00 H new ATOM 0 HG22 THR A 48 -1.346 9.449 -6.942 1.00 0.00 H new ATOM 0 HG23 THR A 48 -0.412 8.538 -8.152 1.00 0.00 H new ATOM 699 N GLN A 49 -2.661 7.661 -4.423 1.00 0.00 N ATOM 700 CA GLN A 49 -2.775 8.432 -3.191 1.00 0.00 C ATOM 701 C GLN A 49 -1.832 7.892 -2.121 1.00 0.00 C ATOM 702 O GLN A 49 -1.045 8.640 -1.539 1.00 0.00 O ATOM 703 CB GLN A 49 -4.217 8.403 -2.678 1.00 0.00 C ATOM 704 CG GLN A 49 -4.555 9.557 -1.747 1.00 0.00 C ATOM 705 CD GLN A 49 -3.507 9.764 -0.671 1.00 0.00 C ATOM 706 OE1 GLN A 49 -2.829 10.792 -0.638 1.00 0.00 O ATOM 707 NE2 GLN A 49 -3.369 8.787 0.217 1.00 0.00 N ATOM 0 H GLN A 49 -3.517 7.181 -4.702 1.00 0.00 H new ATOM 0 HA GLN A 49 -2.495 9.462 -3.410 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -4.897 8.423 -3.529 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -4.389 7.462 -2.155 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -4.657 10.472 -2.331 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -5.521 9.369 -1.277 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -3.952 7.953 0.152 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -2.680 8.871 0.964 1.00 0.00 H new ATOM 716 N ILE A 50 -1.917 6.591 -1.865 1.00 0.00 N ATOM 717 CA ILE A 50 -1.070 5.952 -0.866 1.00 0.00 C ATOM 718 C ILE A 50 0.342 6.528 -0.893 1.00 0.00 C ATOM 719 O ILE A 50 0.921 6.828 0.150 1.00 0.00 O ATOM 720 CB ILE A 50 -0.996 4.429 -1.081 1.00 0.00 C ATOM 721 CG1 ILE A 50 -2.376 3.797 -0.886 1.00 0.00 C ATOM 722 CG2 ILE A 50 0.016 3.808 -0.130 1.00 0.00 C ATOM 723 CD1 ILE A 50 -2.452 2.358 -1.346 1.00 0.00 C ATOM 0 H ILE A 50 -2.564 5.959 -2.336 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.523 6.151 0.105 1.00 0.00 H new ATOM 0 HB ILE A 50 -0.670 4.237 -2.103 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -2.644 3.847 0.169 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -3.116 4.384 -1.431 1.00 0.00 H new ATOM 0 HG21 ILE A 50 0.057 2.731 -0.294 1.00 0.00 H new ATOM 0 HG22 ILE A 50 1.000 4.240 -0.313 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.282 4.007 0.899 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -3.458 1.975 -1.178 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -2.216 2.303 -2.409 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -1.737 1.758 -0.784 1.00 0.00 H new ATOM 735 N GLY A 51 0.890 6.680 -2.094 1.00 0.00 N ATOM 736 CA GLY A 51 2.230 7.220 -2.235 1.00 0.00 C ATOM 737 C GLY A 51 2.282 8.399 -3.187 1.00 0.00 C ATOM 738 O GLY A 51 2.815 8.289 -4.291 1.00 0.00 O ATOM 0 H GLY A 51 0.430 6.439 -2.972 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.598 7.530 -1.257 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.898 6.437 -2.594 1.00 0.00 H new ATOM 742 N GLU A 52 1.725 9.528 -2.760 1.00 0.00 N ATOM 743 CA GLU A 52 1.709 10.730 -3.585 1.00 0.00 C ATOM 744 C GLU A 52 3.078 10.977 -4.213 1.00 0.00 C ATOM 745 O GLU A 52 3.183 11.276 -5.404 1.00 0.00 O ATOM 746 CB GLU A 52 1.293 11.943 -2.750 1.00 0.00 C ATOM 747 CG GLU A 52 2.218 12.220 -1.577 1.00 0.00 C ATOM 748 CD GLU A 52 3.394 13.100 -1.956 1.00 0.00 C ATOM 749 OE1 GLU A 52 3.226 13.964 -2.842 1.00 0.00 O ATOM 750 OE2 GLU A 52 4.481 12.924 -1.368 1.00 0.00 O ATOM 0 H GLU A 52 1.279 9.635 -1.849 1.00 0.00 H new ATOM 0 HA GLU A 52 0.983 10.581 -4.384 1.00 0.00 H new ATOM 0 HB2 GLU A 52 1.262 12.823 -3.393 1.00 0.00 H new ATOM 0 HB3 GLU A 52 0.282 11.786 -2.375 1.00 0.00 H new ATOM 0 HG2 GLU A 52 1.652 12.700 -0.779 1.00 0.00 H new ATOM 0 HG3 GLU A 52 2.589 11.275 -1.181 1.00 0.00 H new ATOM 757 N THR A 53 4.125 10.851 -3.405 1.00 0.00 N ATOM 758 CA THR A 53 5.487 11.062 -3.880 1.00 0.00 C ATOM 759 C THR A 53 5.697 10.426 -5.249 1.00 0.00 C ATOM 760 O THR A 53 6.407 10.971 -6.095 1.00 0.00 O ATOM 761 CB THR A 53 6.521 10.484 -2.895 1.00 0.00 C ATOM 762 OG1 THR A 53 6.337 11.061 -1.597 1.00 0.00 O ATOM 763 CG2 THR A 53 7.938 10.753 -3.379 1.00 0.00 C ATOM 0 H THR A 53 4.056 10.604 -2.418 1.00 0.00 H new ATOM 0 HA THR A 53 5.631 12.140 -3.957 1.00 0.00 H new ATOM 0 HB THR A 53 6.372 9.406 -2.837 1.00 0.00 H new ATOM 0 HG1 THR A 53 5.721 11.821 -1.661 1.00 0.00 H new ATOM 0 HG21 THR A 53 8.651 10.336 -2.668 1.00 0.00 H new ATOM 0 HG22 THR A 53 8.084 10.288 -4.354 1.00 0.00 H new ATOM 0 HG23 THR A 53 8.096 11.828 -3.463 1.00 0.00 H new ATOM 771 N SER A 54 5.074 9.271 -5.462 1.00 0.00 N ATOM 772 CA SER A 54 5.195 8.560 -6.729 1.00 0.00 C ATOM 773 C SER A 54 6.652 8.215 -7.021 1.00 0.00 C ATOM 774 O SER A 54 7.126 8.377 -8.146 1.00 0.00 O ATOM 775 CB SER A 54 4.620 9.403 -7.869 1.00 0.00 C ATOM 776 OG SER A 54 4.585 8.668 -9.080 1.00 0.00 O ATOM 0 H SER A 54 4.481 8.808 -4.774 1.00 0.00 H new ATOM 0 HA SER A 54 4.628 7.632 -6.652 1.00 0.00 H new ATOM 0 HB2 SER A 54 3.613 9.732 -7.610 1.00 0.00 H new ATOM 0 HB3 SER A 54 5.224 10.301 -8.002 1.00 0.00 H new ATOM 0 HG SER A 54 5.486 8.348 -9.295 1.00 0.00 H new ATOM 782 N CYS A 55 7.356 7.738 -6.001 1.00 0.00 N ATOM 783 CA CYS A 55 8.760 7.370 -6.146 1.00 0.00 C ATOM 784 C CYS A 55 8.897 5.973 -6.743 1.00 0.00 C ATOM 785 O CYS A 55 9.590 5.778 -7.740 1.00 0.00 O ATOM 786 CB CYS A 55 9.468 7.432 -4.792 1.00 0.00 C ATOM 787 SG CYS A 55 11.256 7.178 -4.882 1.00 0.00 S ATOM 0 H CYS A 55 6.978 7.597 -5.064 1.00 0.00 H new ATOM 0 HA CYS A 55 9.229 8.083 -6.825 1.00 0.00 H new ATOM 0 HB2 CYS A 55 9.272 8.402 -4.336 1.00 0.00 H new ATOM 0 HB3 CYS A 55 9.037 6.677 -4.134 1.00 0.00 H new ATOM 0 HG CYS A 55 11.765 7.250 -3.688 1.00 0.00 H new ATOM 793 N GLY A 56 8.232 5.003 -6.123 1.00 0.00 N ATOM 794 CA GLY A 56 8.294 3.636 -6.606 1.00 0.00 C ATOM 795 C GLY A 56 7.885 2.629 -5.549 1.00 0.00 C ATOM 796 O GLY A 56 6.752 2.148 -5.544 1.00 0.00 O ATOM 0 H GLY A 56 7.652 5.139 -5.295 1.00 0.00 H new ATOM 0 HA2 GLY A 56 7.644 3.531 -7.475 1.00 0.00 H new ATOM 0 HA3 GLY A 56 9.309 3.417 -6.939 1.00 0.00 H new ATOM 800 N PHE A 57 8.811 2.307 -4.651 1.00 0.00 N ATOM 801 CA PHE A 57 8.542 1.348 -3.586 1.00 0.00 C ATOM 802 C PHE A 57 7.393 1.826 -2.702 1.00 0.00 C ATOM 803 O PHE A 57 7.386 2.966 -2.237 1.00 0.00 O ATOM 804 CB PHE A 57 9.797 1.130 -2.738 1.00 0.00 C ATOM 805 CG PHE A 57 11.008 0.761 -3.545 1.00 0.00 C ATOM 806 CD1 PHE A 57 11.851 1.741 -4.042 1.00 0.00 C ATOM 807 CD2 PHE A 57 11.304 -0.567 -3.806 1.00 0.00 C ATOM 808 CE1 PHE A 57 12.967 1.404 -4.785 1.00 0.00 C ATOM 809 CE2 PHE A 57 12.418 -0.911 -4.549 1.00 0.00 C ATOM 810 CZ PHE A 57 13.251 0.076 -5.038 1.00 0.00 C ATOM 0 H PHE A 57 9.754 2.696 -4.640 1.00 0.00 H new ATOM 0 HA PHE A 57 8.254 0.403 -4.046 1.00 0.00 H new ATOM 0 HB2 PHE A 57 10.008 2.039 -2.175 1.00 0.00 H new ATOM 0 HB3 PHE A 57 9.602 0.343 -2.010 1.00 0.00 H new ATOM 0 HD1 PHE A 57 11.634 2.781 -3.847 1.00 0.00 H new ATOM 0 HD2 PHE A 57 10.657 -1.343 -3.424 1.00 0.00 H new ATOM 0 HE1 PHE A 57 13.616 2.178 -5.167 1.00 0.00 H new ATOM 0 HE2 PHE A 57 12.636 -1.950 -4.747 1.00 0.00 H new ATOM 0 HZ PHE A 57 14.123 -0.190 -5.617 1.00 0.00 H new ATOM 820 N PHE A 58 6.424 0.945 -2.474 1.00 0.00 N ATOM 821 CA PHE A 58 5.269 1.276 -1.647 1.00 0.00 C ATOM 822 C PHE A 58 4.624 0.014 -1.084 1.00 0.00 C ATOM 823 O PHE A 58 4.039 -0.780 -1.821 1.00 0.00 O ATOM 824 CB PHE A 58 4.243 2.068 -2.460 1.00 0.00 C ATOM 825 CG PHE A 58 3.427 1.215 -3.389 1.00 0.00 C ATOM 826 CD1 PHE A 58 4.026 0.550 -4.446 1.00 0.00 C ATOM 827 CD2 PHE A 58 2.060 1.080 -3.205 1.00 0.00 C ATOM 828 CE1 PHE A 58 3.278 -0.236 -5.302 1.00 0.00 C ATOM 829 CE2 PHE A 58 1.307 0.295 -4.057 1.00 0.00 C ATOM 830 CZ PHE A 58 1.916 -0.363 -5.108 1.00 0.00 C ATOM 0 H PHE A 58 6.416 -0.003 -2.850 1.00 0.00 H new ATOM 0 HA PHE A 58 5.614 1.889 -0.814 1.00 0.00 H new ATOM 0 HB2 PHE A 58 3.573 2.589 -1.776 1.00 0.00 H new ATOM 0 HB3 PHE A 58 4.762 2.830 -3.041 1.00 0.00 H new ATOM 0 HD1 PHE A 58 5.090 0.647 -4.603 1.00 0.00 H new ATOM 0 HD2 PHE A 58 1.578 1.594 -2.387 1.00 0.00 H new ATOM 0 HE1 PHE A 58 3.758 -0.750 -6.122 1.00 0.00 H new ATOM 0 HE2 PHE A 58 0.243 0.196 -3.901 1.00 0.00 H new ATOM 0 HZ PHE A 58 1.329 -0.975 -5.776 1.00 0.00 H new ATOM 840 N LYS A 59 4.735 -0.166 0.228 1.00 0.00 N ATOM 841 CA LYS A 59 4.163 -1.331 0.892 1.00 0.00 C ATOM 842 C LYS A 59 2.665 -1.432 0.620 1.00 0.00 C ATOM 843 O LYS A 59 1.947 -0.433 0.669 1.00 0.00 O ATOM 844 CB LYS A 59 4.414 -1.258 2.400 1.00 0.00 C ATOM 845 CG LYS A 59 3.708 -0.097 3.079 1.00 0.00 C ATOM 846 CD LYS A 59 4.201 0.099 4.503 1.00 0.00 C ATOM 847 CE LYS A 59 3.385 -0.718 5.493 1.00 0.00 C ATOM 848 NZ LYS A 59 3.870 -2.122 5.586 1.00 0.00 N ATOM 0 H LYS A 59 5.216 0.481 0.853 1.00 0.00 H new ATOM 0 HA LYS A 59 4.648 -2.221 0.491 1.00 0.00 H new ATOM 0 HB2 LYS A 59 4.086 -2.190 2.860 1.00 0.00 H new ATOM 0 HB3 LYS A 59 5.486 -1.174 2.578 1.00 0.00 H new ATOM 0 HG2 LYS A 59 3.874 0.816 2.507 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.633 -0.278 3.087 1.00 0.00 H new ATOM 0 HD2 LYS A 59 5.250 -0.190 4.569 1.00 0.00 H new ATOM 0 HD3 LYS A 59 4.144 1.155 4.767 1.00 0.00 H new ATOM 0 HE2 LYS A 59 3.434 -0.251 6.477 1.00 0.00 H new ATOM 0 HE3 LYS A 59 2.338 -0.715 5.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 3.877 -2.422 6.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 3.239 -2.744 5.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 4.834 -2.183 5.200 1.00 0.00 H new ATOM 862 N CYS A 60 2.201 -2.643 0.335 1.00 0.00 N ATOM 863 CA CYS A 60 0.789 -2.875 0.056 1.00 0.00 C ATOM 864 C CYS A 60 -0.046 -2.743 1.326 1.00 0.00 C ATOM 865 O CYS A 60 0.339 -3.202 2.402 1.00 0.00 O ATOM 866 CB CYS A 60 0.589 -4.263 -0.556 1.00 0.00 C ATOM 867 SG CYS A 60 -1.153 -4.779 -0.679 1.00 0.00 S ATOM 0 H CYS A 60 2.782 -3.480 0.291 1.00 0.00 H new ATOM 0 HA CYS A 60 0.457 -2.120 -0.656 1.00 0.00 H new ATOM 0 HB2 CYS A 60 1.032 -4.276 -1.552 1.00 0.00 H new ATOM 0 HB3 CYS A 60 1.132 -4.994 0.043 1.00 0.00 H new ATOM 872 N PRO A 61 -1.217 -2.101 1.201 1.00 0.00 N ATOM 873 CA PRO A 61 -2.131 -1.894 2.329 1.00 0.00 C ATOM 874 C PRO A 61 -2.780 -3.193 2.794 1.00 0.00 C ATOM 875 O PRO A 61 -2.903 -3.443 3.994 1.00 0.00 O ATOM 876 CB PRO A 61 -3.186 -0.942 1.760 1.00 0.00 C ATOM 877 CG PRO A 61 -3.163 -1.186 0.290 1.00 0.00 C ATOM 878 CD PRO A 61 -1.739 -1.528 -0.051 1.00 0.00 C ATOM 0 HA PRO A 61 -1.615 -1.504 3.206 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -4.171 -1.146 2.180 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -2.949 0.096 1.993 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -3.835 -2.000 0.019 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -3.494 -0.303 -0.257 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -1.683 -2.241 -0.873 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -1.176 -0.646 -0.355 1.00 0.00 H new ATOM 886 N LEU A 62 -3.195 -4.017 1.838 1.00 0.00 N ATOM 887 CA LEU A 62 -3.832 -5.292 2.150 1.00 0.00 C ATOM 888 C LEU A 62 -2.855 -6.233 2.848 1.00 0.00 C ATOM 889 O LEU A 62 -3.227 -6.959 3.770 1.00 0.00 O ATOM 890 CB LEU A 62 -4.363 -5.945 0.873 1.00 0.00 C ATOM 891 CG LEU A 62 -5.727 -5.454 0.385 1.00 0.00 C ATOM 892 CD1 LEU A 62 -6.037 -6.022 -0.991 1.00 0.00 C ATOM 893 CD2 LEU A 62 -6.816 -5.832 1.378 1.00 0.00 C ATOM 0 H LEU A 62 -3.102 -3.825 0.841 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.665 -5.098 2.825 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.636 -5.785 0.077 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.424 -7.021 1.037 1.00 0.00 H new ATOM 0 HG LEU A 62 -5.695 -4.367 0.308 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -7.011 -5.662 -1.322 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -5.272 -5.701 -1.698 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -6.050 -7.111 -0.941 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -7.780 -5.475 1.015 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -6.849 -6.916 1.487 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -6.601 -5.376 2.345 1.00 0.00 H new ATOM 905 N CYS A 63 -1.603 -6.213 2.404 1.00 0.00 N ATOM 906 CA CYS A 63 -0.571 -7.062 2.986 1.00 0.00 C ATOM 907 C CYS A 63 0.754 -6.313 3.093 1.00 0.00 C ATOM 908 O CYS A 63 1.081 -5.482 2.245 1.00 0.00 O ATOM 909 CB CYS A 63 -0.388 -8.327 2.144 1.00 0.00 C ATOM 910 SG CYS A 63 0.215 -8.015 0.454 1.00 0.00 S ATOM 0 H CYS A 63 -1.278 -5.617 1.642 1.00 0.00 H new ATOM 0 HA CYS A 63 -0.890 -7.344 3.989 1.00 0.00 H new ATOM 0 HB2 CYS A 63 0.313 -8.990 2.652 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -1.341 -8.853 2.087 1.00 0.00 H new ATOM 915 N LYS A 64 1.514 -6.613 4.141 1.00 0.00 N ATOM 916 CA LYS A 64 2.804 -5.970 4.360 1.00 0.00 C ATOM 917 C LYS A 64 3.886 -6.615 3.500 1.00 0.00 C ATOM 918 O LYS A 64 4.737 -7.350 4.002 1.00 0.00 O ATOM 919 CB LYS A 64 3.194 -6.053 5.837 1.00 0.00 C ATOM 920 CG LYS A 64 2.357 -5.163 6.739 1.00 0.00 C ATOM 921 CD LYS A 64 2.582 -5.485 8.206 1.00 0.00 C ATOM 922 CE LYS A 64 2.095 -4.359 9.106 1.00 0.00 C ATOM 923 NZ LYS A 64 2.325 -4.661 10.546 1.00 0.00 N ATOM 0 H LYS A 64 1.258 -7.298 4.852 1.00 0.00 H new ATOM 0 HA LYS A 64 2.713 -4.922 4.073 1.00 0.00 H new ATOM 0 HB2 LYS A 64 3.099 -7.086 6.171 1.00 0.00 H new ATOM 0 HB3 LYS A 64 4.244 -5.779 5.943 1.00 0.00 H new ATOM 0 HG2 LYS A 64 2.606 -4.118 6.553 1.00 0.00 H new ATOM 0 HG3 LYS A 64 1.302 -5.287 6.496 1.00 0.00 H new ATOM 0 HD2 LYS A 64 2.060 -6.407 8.461 1.00 0.00 H new ATOM 0 HD3 LYS A 64 3.643 -5.660 8.382 1.00 0.00 H new ATOM 0 HE2 LYS A 64 2.609 -3.435 8.842 1.00 0.00 H new ATOM 0 HE3 LYS A 64 1.032 -4.192 8.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 1.980 -3.870 11.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 1.814 -5.529 10.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 3.342 -4.795 10.714 1.00 0.00 H new ATOM 937 N THR A 65 3.850 -6.334 2.201 1.00 0.00 N ATOM 938 CA THR A 65 4.827 -6.887 1.272 1.00 0.00 C ATOM 939 C THR A 65 5.564 -5.780 0.527 1.00 0.00 C ATOM 940 O THR A 65 4.969 -4.771 0.148 1.00 0.00 O ATOM 941 CB THR A 65 4.161 -7.824 0.247 1.00 0.00 C ATOM 942 OG1 THR A 65 3.372 -8.809 0.925 1.00 0.00 O ATOM 943 CG2 THR A 65 5.207 -8.512 -0.617 1.00 0.00 C ATOM 0 H THR A 65 3.154 -5.726 1.769 1.00 0.00 H new ATOM 0 HA THR A 65 5.539 -7.459 1.866 1.00 0.00 H new ATOM 0 HB THR A 65 3.518 -7.224 -0.397 1.00 0.00 H new ATOM 0 HG1 THR A 65 2.421 -8.613 0.795 1.00 0.00 H new ATOM 0 HG21 THR A 65 4.713 -9.169 -1.333 1.00 0.00 H new ATOM 0 HG22 THR A 65 5.787 -7.761 -1.153 1.00 0.00 H new ATOM 0 HG23 THR A 65 5.872 -9.100 0.016 1.00 0.00 H new ATOM 951 N SER A 66 6.862 -5.975 0.319 1.00 0.00 N ATOM 952 CA SER A 66 7.682 -4.992 -0.379 1.00 0.00 C ATOM 953 C SER A 66 7.569 -5.165 -1.891 1.00 0.00 C ATOM 954 O SER A 66 7.790 -6.254 -2.421 1.00 0.00 O ATOM 955 CB SER A 66 9.144 -5.116 0.052 1.00 0.00 C ATOM 956 OG SER A 66 9.308 -4.750 1.411 1.00 0.00 O ATOM 0 H SER A 66 7.369 -6.806 0.624 1.00 0.00 H new ATOM 0 HA SER A 66 7.317 -3.999 -0.116 1.00 0.00 H new ATOM 0 HB2 SER A 66 9.484 -6.141 -0.095 1.00 0.00 H new ATOM 0 HB3 SER A 66 9.767 -4.480 -0.577 1.00 0.00 H new ATOM 0 HG SER A 66 10.251 -4.840 1.662 1.00 0.00 H new ATOM 962 N VAL A 67 7.223 -4.082 -2.580 1.00 0.00 N ATOM 963 CA VAL A 67 7.081 -4.112 -4.031 1.00 0.00 C ATOM 964 C VAL A 67 7.557 -2.806 -4.657 1.00 0.00 C ATOM 965 O VAL A 67 7.411 -1.734 -4.068 1.00 0.00 O ATOM 966 CB VAL A 67 5.620 -4.366 -4.447 1.00 0.00 C ATOM 967 CG1 VAL A 67 4.724 -3.234 -3.968 1.00 0.00 C ATOM 968 CG2 VAL A 67 5.518 -4.536 -5.955 1.00 0.00 C ATOM 0 H VAL A 67 7.036 -3.173 -2.157 1.00 0.00 H new ATOM 0 HA VAL A 67 7.701 -4.932 -4.393 1.00 0.00 H new ATOM 0 HB VAL A 67 5.281 -5.289 -3.976 1.00 0.00 H new ATOM 0 HG11 VAL A 67 3.696 -3.431 -4.271 1.00 0.00 H new ATOM 0 HG12 VAL A 67 4.775 -3.164 -2.881 1.00 0.00 H new ATOM 0 HG13 VAL A 67 5.058 -2.294 -4.408 1.00 0.00 H new ATOM 0 HG21 VAL A 67 4.479 -4.715 -6.232 1.00 0.00 H new ATOM 0 HG22 VAL A 67 5.874 -3.632 -6.448 1.00 0.00 H new ATOM 0 HG23 VAL A 67 6.128 -5.384 -6.268 1.00 0.00 H new ATOM 978 N ARG A 68 8.127 -2.902 -5.853 1.00 0.00 N ATOM 979 CA ARG A 68 8.625 -1.728 -6.559 1.00 0.00 C ATOM 980 C ARG A 68 7.945 -1.581 -7.917 1.00 0.00 C ATOM 981 O ARG A 68 8.598 -1.313 -8.926 1.00 0.00 O ATOM 982 CB ARG A 68 10.141 -1.823 -6.744 1.00 0.00 C ATOM 983 CG ARG A 68 10.785 -0.516 -7.176 1.00 0.00 C ATOM 984 CD ARG A 68 12.223 -0.724 -7.624 1.00 0.00 C ATOM 985 NE ARG A 68 12.301 -1.405 -8.913 1.00 0.00 N ATOM 986 CZ ARG A 68 13.439 -1.824 -9.455 1.00 0.00 C ATOM 987 NH1 ARG A 68 14.589 -1.633 -8.822 1.00 0.00 N ATOM 988 NH2 ARG A 68 13.429 -2.437 -10.632 1.00 0.00 N ATOM 0 H ARG A 68 8.256 -3.781 -6.354 1.00 0.00 H new ATOM 0 HA ARG A 68 8.393 -0.848 -5.958 1.00 0.00 H new ATOM 0 HB2 ARG A 68 10.593 -2.149 -5.807 1.00 0.00 H new ATOM 0 HB3 ARG A 68 10.360 -2.589 -7.487 1.00 0.00 H new ATOM 0 HG2 ARG A 68 10.209 -0.077 -7.991 1.00 0.00 H new ATOM 0 HG3 ARG A 68 10.760 0.194 -6.349 1.00 0.00 H new ATOM 0 HD2 ARG A 68 12.724 0.241 -7.693 1.00 0.00 H new ATOM 0 HD3 ARG A 68 12.756 -1.307 -6.873 1.00 0.00 H new ATOM 0 HE ARG A 68 11.434 -1.568 -9.425 1.00 0.00 H new ATOM 0 HH11 ARG A 68 14.601 -1.163 -7.917 1.00 0.00 H new ATOM 0 HH12 ARG A 68 15.461 -1.956 -9.241 1.00 0.00 H new ATOM 0 HH21 ARG A 68 12.547 -2.587 -11.121 1.00 0.00 H new ATOM 0 HH22 ARG A 68 14.304 -2.758 -11.047 1.00 0.00 H new ATOM 1002 N LYS A 69 6.628 -1.757 -7.935 1.00 0.00 N ATOM 1003 CA LYS A 69 5.857 -1.643 -9.167 1.00 0.00 C ATOM 1004 C LYS A 69 6.568 -2.343 -10.321 1.00 0.00 C ATOM 1005 O LYS A 69 6.656 -1.807 -11.425 1.00 0.00 O ATOM 1006 CB LYS A 69 5.626 -0.171 -9.514 1.00 0.00 C ATOM 1007 CG LYS A 69 4.711 0.548 -8.538 1.00 0.00 C ATOM 1008 CD LYS A 69 4.333 1.931 -9.042 1.00 0.00 C ATOM 1009 CE LYS A 69 3.551 2.711 -7.997 1.00 0.00 C ATOM 1010 NZ LYS A 69 4.441 3.265 -6.938 1.00 0.00 N ATOM 0 H LYS A 69 6.072 -1.979 -7.109 1.00 0.00 H new ATOM 0 HA LYS A 69 4.894 -2.128 -9.009 1.00 0.00 H new ATOM 0 HB2 LYS A 69 6.587 0.342 -9.543 1.00 0.00 H new ATOM 0 HB3 LYS A 69 5.199 -0.105 -10.515 1.00 0.00 H new ATOM 0 HG2 LYS A 69 3.808 -0.043 -8.382 1.00 0.00 H new ATOM 0 HG3 LYS A 69 5.206 0.635 -7.571 1.00 0.00 H new ATOM 0 HD2 LYS A 69 5.235 2.481 -9.308 1.00 0.00 H new ATOM 0 HD3 LYS A 69 3.737 1.838 -9.950 1.00 0.00 H new ATOM 0 HE2 LYS A 69 3.011 3.525 -8.480 1.00 0.00 H new ATOM 0 HE3 LYS A 69 2.805 2.060 -7.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 3.878 3.486 -6.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 5.170 2.564 -6.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 4.897 4.133 -7.286 1.00 0.00 H new ATOM 1024 N ASN A 70 7.074 -3.544 -10.057 1.00 0.00 N ATOM 1025 CA ASN A 70 7.777 -4.317 -11.074 1.00 0.00 C ATOM 1026 C ASN A 70 6.791 -5.045 -11.983 1.00 0.00 C ATOM 1027 O ASN A 70 6.967 -6.224 -12.289 1.00 0.00 O ATOM 1028 CB ASN A 70 8.721 -5.325 -10.416 1.00 0.00 C ATOM 1029 CG ASN A 70 8.010 -6.213 -9.413 1.00 0.00 C ATOM 1030 OD1 ASN A 70 6.804 -6.088 -9.202 1.00 0.00 O ATOM 1031 ND2 ASN A 70 8.757 -7.117 -8.790 1.00 0.00 N ATOM 0 H ASN A 70 7.010 -4.002 -9.148 1.00 0.00 H new ATOM 0 HA ASN A 70 8.361 -3.625 -11.681 1.00 0.00 H new ATOM 0 HB2 ASN A 70 9.179 -5.946 -11.186 1.00 0.00 H new ATOM 0 HB3 ASN A 70 9.528 -4.790 -9.916 1.00 0.00 H new ATOM 0 HD21 ASN A 70 8.334 -7.743 -8.105 1.00 0.00 H new ATOM 0 HD22 ASN A 70 9.754 -7.185 -8.997 1.00 0.00 H new ATOM 1038 N ALA A 71 5.753 -4.333 -12.411 1.00 0.00 N ATOM 1039 CA ALA A 71 4.740 -4.910 -13.286 1.00 0.00 C ATOM 1040 C ALA A 71 4.610 -4.109 -14.577 1.00 0.00 C ATOM 1041 O ALA A 71 3.713 -3.276 -14.714 1.00 0.00 O ATOM 1042 CB ALA A 71 3.400 -4.980 -12.568 1.00 0.00 C ATOM 0 H ALA A 71 5.592 -3.356 -12.166 1.00 0.00 H new ATOM 0 HA ALA A 71 5.053 -5.921 -13.546 1.00 0.00 H new ATOM 0 HB1 ALA A 71 2.653 -5.413 -13.233 1.00 0.00 H new ATOM 0 HB2 ALA A 71 3.496 -5.601 -11.678 1.00 0.00 H new ATOM 0 HB3 ALA A 71 3.090 -3.976 -12.278 1.00 0.00 H new ATOM 1048 N ILE A 72 5.510 -4.365 -15.520 1.00 0.00 N ATOM 1049 CA ILE A 72 5.494 -3.668 -16.800 1.00 0.00 C ATOM 1050 C ILE A 72 4.821 -4.512 -17.878 1.00 0.00 C ATOM 1051 O ILE A 72 5.052 -5.717 -17.971 1.00 0.00 O ATOM 1052 CB ILE A 72 6.918 -3.306 -17.262 1.00 0.00 C ATOM 1053 CG1 ILE A 72 6.865 -2.472 -18.543 1.00 0.00 C ATOM 1054 CG2 ILE A 72 7.741 -4.567 -17.478 1.00 0.00 C ATOM 1055 CD1 ILE A 72 8.163 -1.758 -18.853 1.00 0.00 C ATOM 0 H ILE A 72 6.259 -5.050 -15.422 1.00 0.00 H new ATOM 0 HA ILE A 72 4.924 -2.750 -16.652 1.00 0.00 H new ATOM 0 HB ILE A 72 7.397 -2.712 -16.484 1.00 0.00 H new ATOM 0 HG12 ILE A 72 6.608 -3.122 -19.380 1.00 0.00 H new ATOM 0 HG13 ILE A 72 6.066 -1.735 -18.455 1.00 0.00 H new ATOM 0 HG21 ILE A 72 8.745 -4.295 -17.804 1.00 0.00 H new ATOM 0 HG22 ILE A 72 7.802 -5.126 -16.544 1.00 0.00 H new ATOM 0 HG23 ILE A 72 7.267 -5.185 -18.240 1.00 0.00 H new ATOM 0 HD11 ILE A 72 8.053 -1.186 -19.774 1.00 0.00 H new ATOM 0 HD12 ILE A 72 8.411 -1.082 -18.034 1.00 0.00 H new ATOM 0 HD13 ILE A 72 8.961 -2.490 -18.974 1.00 0.00 H new ATOM 1067 N ARG A 73 3.989 -3.869 -18.691 1.00 0.00 N ATOM 1068 CA ARG A 73 3.283 -4.560 -19.763 1.00 0.00 C ATOM 1069 C ARG A 73 3.978 -4.338 -21.103 1.00 0.00 C ATOM 1070 O ARG A 73 3.950 -5.203 -21.978 1.00 0.00 O ATOM 1071 CB ARG A 73 1.833 -4.077 -19.842 1.00 0.00 C ATOM 1072 CG ARG A 73 1.012 -4.411 -18.607 1.00 0.00 C ATOM 1073 CD ARG A 73 0.468 -5.829 -18.666 1.00 0.00 C ATOM 1074 NE ARG A 73 1.437 -6.808 -18.179 1.00 0.00 N ATOM 1075 CZ ARG A 73 1.663 -7.039 -16.890 1.00 0.00 C ATOM 1076 NH1 ARG A 73 0.992 -6.367 -15.965 1.00 0.00 N ATOM 1077 NH2 ARG A 73 2.560 -7.946 -16.525 1.00 0.00 N ATOM 0 H ARG A 73 3.788 -2.871 -18.628 1.00 0.00 H new ATOM 0 HA ARG A 73 3.292 -5.627 -19.541 1.00 0.00 H new ATOM 0 HB2 ARG A 73 1.826 -2.997 -19.991 1.00 0.00 H new ATOM 0 HB3 ARG A 73 1.357 -4.523 -20.716 1.00 0.00 H new ATOM 0 HG2 ARG A 73 1.629 -4.294 -17.716 1.00 0.00 H new ATOM 0 HG3 ARG A 73 0.185 -3.706 -18.517 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -0.443 -5.893 -18.070 1.00 0.00 H new ATOM 0 HD3 ARG A 73 0.194 -6.070 -19.693 1.00 0.00 H new ATOM 0 HE ARG A 73 1.969 -7.343 -18.865 1.00 0.00 H new ATOM 0 HH11 ARG A 73 0.300 -5.671 -16.242 1.00 0.00 H new ATOM 0 HH12 ARG A 73 1.168 -6.546 -14.976 1.00 0.00 H new ATOM 0 HH21 ARG A 73 3.077 -8.466 -17.234 1.00 0.00 H new ATOM 0 HH22 ARG A 73 2.733 -8.123 -15.535 1.00 0.00 H new TER 1091 ARG A 73 HETATM 1092 ZN ZN A 201 -9.363 2.686 -4.107 1.00 0.00 ZN HETATM 1093 ZN ZN A 401 -1.161 -7.096 -1.067 1.00 0.00 ZN