USER MOD reduce.3.24.130724 H: found=0, std=0, add=620, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 619 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 34 HIS : no HE2:sc= -0.305 K(o=-0.31,f=-0.81) USER MOD Set 1.2: A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 1 ALA N :NH3+ -125:sc= 0.12 (180deg=0) USER MOD Single : A 9 TYR OH : rot 4:sc= -4.93! USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 152:sc= -0.0237 (180deg=-0.701) USER MOD Single : A 14 THR OG1 : rot 180:sc= -1.31 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= -5.56! C(o=-5.6!,f=-7.4!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 129:sc= 0.709 USER MOD Single : A 51 GLN : amide:sc= -0.266 X(o=-0.27,f=-0.23) USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= -0.481 K(o=-0.48,f=-3.7!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= -2.3 K(o=-2.3,f=-7.2!) USER MOD Single : A 72 SER OG : rot -150:sc= -3.71! USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 14.919 9.888 4.459 1.00 0.00 N ATOM 2 CA ALA A 1 15.894 9.733 3.343 1.00 0.00 C ATOM 3 C ALA A 1 16.453 8.308 3.348 1.00 0.00 C ATOM 4 O ALA A 1 15.971 7.443 4.053 1.00 0.00 O ATOM 5 CB ALA A 1 17.039 10.731 3.523 1.00 0.00 C ATOM 0 H1 ALA A 1 14.010 10.224 4.082 1.00 0.00 H new ATOM 0 H2 ALA A 1 14.781 8.971 4.929 1.00 0.00 H new ATOM 0 H3 ALA A 1 15.285 10.578 5.146 1.00 0.00 H new ATOM 0 HA ALA A 1 15.393 9.923 2.394 1.00 0.00 H new ATOM 0 HB1 ALA A 1 17.752 10.618 2.707 1.00 0.00 H new ATOM 0 HB2 ALA A 1 16.641 11.746 3.519 1.00 0.00 H new ATOM 0 HB3 ALA A 1 17.541 10.542 4.472 1.00 0.00 H new ATOM 13 N GLU A 2 17.465 8.055 2.564 1.00 0.00 N ATOM 14 CA GLU A 2 18.056 6.688 2.522 1.00 0.00 C ATOM 15 C GLU A 2 16.933 5.651 2.383 1.00 0.00 C ATOM 16 O GLU A 2 16.131 5.722 1.473 1.00 0.00 O ATOM 17 CB GLU A 2 18.855 6.442 3.804 1.00 0.00 C ATOM 18 CG GLU A 2 19.974 7.479 3.920 1.00 0.00 C ATOM 19 CD GLU A 2 20.494 7.517 5.358 1.00 0.00 C ATOM 20 OE1 GLU A 2 20.226 6.576 6.087 1.00 0.00 O ATOM 21 OE2 GLU A 2 21.150 8.485 5.706 1.00 0.00 O ATOM 0 H GLU A 2 17.909 8.738 1.950 1.00 0.00 H new ATOM 0 HA GLU A 2 18.725 6.598 1.666 1.00 0.00 H new ATOM 0 HB2 GLU A 2 18.198 6.503 4.671 1.00 0.00 H new ATOM 0 HB3 GLU A 2 19.277 5.437 3.794 1.00 0.00 H new ATOM 0 HG2 GLU A 2 20.786 7.231 3.236 1.00 0.00 H new ATOM 0 HG3 GLU A 2 19.603 8.462 3.631 1.00 0.00 H new ATOM 28 N ILE A 3 16.862 4.683 3.262 1.00 0.00 N ATOM 29 CA ILE A 3 15.785 3.661 3.142 1.00 0.00 C ATOM 30 C ILE A 3 16.135 2.703 1.995 1.00 0.00 C ATOM 31 O ILE A 3 16.725 3.095 1.007 1.00 0.00 O ATOM 32 CB ILE A 3 14.439 4.379 2.895 1.00 0.00 C ATOM 33 CG1 ILE A 3 13.468 4.018 4.022 1.00 0.00 C ATOM 34 CG2 ILE A 3 13.823 3.978 1.548 1.00 0.00 C ATOM 35 CD1 ILE A 3 13.384 2.496 4.154 1.00 0.00 C ATOM 0 H ILE A 3 17.498 4.559 4.050 1.00 0.00 H new ATOM 0 HA ILE A 3 15.696 3.077 4.058 1.00 0.00 H new ATOM 0 HB ILE A 3 14.623 5.453 2.875 1.00 0.00 H new ATOM 0 HG12 ILE A 3 13.804 4.457 4.961 1.00 0.00 H new ATOM 0 HG13 ILE A 3 12.481 4.431 3.813 1.00 0.00 H new ATOM 0 HG21 ILE A 3 12.878 4.503 1.410 1.00 0.00 H new ATOM 0 HG22 ILE A 3 14.507 4.243 0.742 1.00 0.00 H new ATOM 0 HG23 ILE A 3 13.646 2.903 1.535 1.00 0.00 H new ATOM 0 HD11 ILE A 3 12.693 2.238 4.956 1.00 0.00 H new ATOM 0 HD12 ILE A 3 13.028 2.069 3.217 1.00 0.00 H new ATOM 0 HD13 ILE A 3 14.372 2.096 4.383 1.00 0.00 H new ATOM 47 N GLU A 4 15.783 1.452 2.118 1.00 0.00 N ATOM 48 CA GLU A 4 16.105 0.482 1.034 1.00 0.00 C ATOM 49 C GLU A 4 14.950 -0.509 0.859 1.00 0.00 C ATOM 50 O GLU A 4 13.975 -0.480 1.585 1.00 0.00 O ATOM 51 CB GLU A 4 17.380 -0.282 1.398 1.00 0.00 C ATOM 52 CG GLU A 4 17.078 -1.279 2.519 1.00 0.00 C ATOM 53 CD GLU A 4 18.314 -1.443 3.404 1.00 0.00 C ATOM 54 OE1 GLU A 4 19.315 -1.931 2.906 1.00 0.00 O ATOM 55 OE2 GLU A 4 18.239 -1.077 4.565 1.00 0.00 O ATOM 0 H GLU A 4 15.288 1.061 2.920 1.00 0.00 H new ATOM 0 HA GLU A 4 16.255 1.025 0.101 1.00 0.00 H new ATOM 0 HB2 GLU A 4 17.763 -0.808 0.523 1.00 0.00 H new ATOM 0 HB3 GLU A 4 18.155 0.415 1.716 1.00 0.00 H new ATOM 0 HG2 GLU A 4 16.235 -0.928 3.115 1.00 0.00 H new ATOM 0 HG3 GLU A 4 16.790 -2.242 2.096 1.00 0.00 H new ATOM 62 N VAL A 5 15.056 -1.387 -0.102 1.00 0.00 N ATOM 63 CA VAL A 5 13.974 -2.384 -0.335 1.00 0.00 C ATOM 64 C VAL A 5 14.118 -3.528 0.676 1.00 0.00 C ATOM 65 O VAL A 5 15.102 -3.624 1.382 1.00 0.00 O ATOM 66 CB VAL A 5 14.088 -2.914 -1.773 1.00 0.00 C ATOM 67 CG1 VAL A 5 13.478 -4.314 -1.887 1.00 0.00 C ATOM 68 CG2 VAL A 5 13.342 -1.963 -2.709 1.00 0.00 C ATOM 0 H VAL A 5 15.850 -1.456 -0.738 1.00 0.00 H new ATOM 0 HA VAL A 5 12.995 -1.923 -0.204 1.00 0.00 H new ATOM 0 HB VAL A 5 15.142 -2.972 -2.046 1.00 0.00 H new ATOM 0 HG11 VAL A 5 13.570 -4.669 -2.914 1.00 0.00 H new ATOM 0 HG12 VAL A 5 14.004 -4.996 -1.219 1.00 0.00 H new ATOM 0 HG13 VAL A 5 12.425 -4.276 -1.610 1.00 0.00 H new ATOM 0 HG21 VAL A 5 13.416 -2.328 -3.733 1.00 0.00 H new ATOM 0 HG22 VAL A 5 12.293 -1.913 -2.416 1.00 0.00 H new ATOM 0 HG23 VAL A 5 13.784 -0.969 -2.646 1.00 0.00 H new ATOM 78 N GLY A 6 13.138 -4.387 0.760 1.00 0.00 N ATOM 79 CA GLY A 6 13.218 -5.509 1.735 1.00 0.00 C ATOM 80 C GLY A 6 12.989 -4.954 3.140 1.00 0.00 C ATOM 81 O GLY A 6 13.303 -5.584 4.130 1.00 0.00 O ATOM 0 H GLY A 6 12.288 -4.359 0.197 1.00 0.00 H new ATOM 0 HA2 GLY A 6 12.470 -6.267 1.501 1.00 0.00 H new ATOM 0 HA3 GLY A 6 14.192 -5.994 1.674 1.00 0.00 H new ATOM 85 N ARG A 7 12.449 -3.771 3.227 1.00 0.00 N ATOM 86 CA ARG A 7 12.199 -3.152 4.558 1.00 0.00 C ATOM 87 C ARG A 7 10.688 -2.970 4.750 1.00 0.00 C ATOM 88 O ARG A 7 9.946 -2.819 3.800 1.00 0.00 O ATOM 89 CB ARG A 7 12.926 -1.792 4.607 1.00 0.00 C ATOM 90 CG ARG A 7 12.159 -0.778 5.467 1.00 0.00 C ATOM 91 CD ARG A 7 12.206 -1.209 6.933 1.00 0.00 C ATOM 92 NE ARG A 7 12.990 -0.213 7.718 1.00 0.00 N ATOM 93 CZ ARG A 7 13.787 -0.613 8.669 1.00 0.00 C ATOM 94 NH1 ARG A 7 14.742 -1.463 8.406 1.00 0.00 N ATOM 95 NH2 ARG A 7 13.630 -0.163 9.884 1.00 0.00 N ATOM 0 H ARG A 7 12.168 -3.203 2.428 1.00 0.00 H new ATOM 0 HA ARG A 7 12.575 -3.788 5.360 1.00 0.00 H new ATOM 0 HB2 ARG A 7 13.929 -1.928 5.010 1.00 0.00 H new ATOM 0 HB3 ARG A 7 13.039 -1.402 3.596 1.00 0.00 H new ATOM 0 HG2 ARG A 7 12.597 0.214 5.355 1.00 0.00 H new ATOM 0 HG3 ARG A 7 11.124 -0.710 5.131 1.00 0.00 H new ATOM 0 HD2 ARG A 7 11.195 -1.289 7.333 1.00 0.00 H new ATOM 0 HD3 ARG A 7 12.661 -2.196 7.019 1.00 0.00 H new ATOM 0 HE ARG A 7 12.903 0.782 7.511 1.00 0.00 H new ATOM 0 HH11 ARG A 7 14.865 -1.814 7.456 1.00 0.00 H new ATOM 0 HH12 ARG A 7 15.366 -1.776 9.150 1.00 0.00 H new ATOM 0 HH21 ARG A 7 12.884 0.501 10.089 1.00 0.00 H new ATOM 0 HH22 ARG A 7 14.253 -0.476 10.628 1.00 0.00 H new ATOM 109 N VAL A 8 10.229 -2.971 5.973 1.00 0.00 N ATOM 110 CA VAL A 8 8.773 -2.784 6.220 1.00 0.00 C ATOM 111 C VAL A 8 8.495 -1.288 6.341 1.00 0.00 C ATOM 112 O VAL A 8 9.170 -0.578 7.060 1.00 0.00 O ATOM 113 CB VAL A 8 8.373 -3.492 7.519 1.00 0.00 C ATOM 114 CG1 VAL A 8 6.947 -3.093 7.903 1.00 0.00 C ATOM 115 CG2 VAL A 8 8.436 -5.007 7.314 1.00 0.00 C ATOM 0 H VAL A 8 10.800 -3.093 6.809 1.00 0.00 H new ATOM 0 HA VAL A 8 8.195 -3.208 5.398 1.00 0.00 H new ATOM 0 HB VAL A 8 9.059 -3.201 8.314 1.00 0.00 H new ATOM 0 HG11 VAL A 8 6.664 -3.597 8.827 1.00 0.00 H new ATOM 0 HG12 VAL A 8 6.898 -2.014 8.049 1.00 0.00 H new ATOM 0 HG13 VAL A 8 6.261 -3.383 7.107 1.00 0.00 H new ATOM 0 HG21 VAL A 8 8.152 -5.511 8.238 1.00 0.00 H new ATOM 0 HG22 VAL A 8 7.750 -5.295 6.517 1.00 0.00 H new ATOM 0 HG23 VAL A 8 9.451 -5.295 7.041 1.00 0.00 H new ATOM 125 N TYR A 9 7.524 -0.794 5.627 1.00 0.00 N ATOM 126 CA TYR A 9 7.234 0.663 5.690 1.00 0.00 C ATOM 127 C TYR A 9 5.955 0.908 6.482 1.00 0.00 C ATOM 128 O TYR A 9 5.304 -0.005 6.947 1.00 0.00 O ATOM 129 CB TYR A 9 7.028 1.210 4.273 1.00 0.00 C ATOM 130 CG TYR A 9 8.353 1.363 3.562 1.00 0.00 C ATOM 131 CD1 TYR A 9 9.323 0.356 3.640 1.00 0.00 C ATOM 132 CD2 TYR A 9 8.602 2.518 2.813 1.00 0.00 C ATOM 133 CE1 TYR A 9 10.542 0.507 2.970 1.00 0.00 C ATOM 134 CE2 TYR A 9 9.820 2.669 2.142 1.00 0.00 C ATOM 135 CZ TYR A 9 10.791 1.663 2.220 1.00 0.00 C ATOM 136 OH TYR A 9 11.991 1.808 1.557 1.00 0.00 O ATOM 0 H TYR A 9 6.921 -1.333 5.005 1.00 0.00 H new ATOM 0 HA TYR A 9 8.074 1.162 6.173 1.00 0.00 H new ATOM 0 HB2 TYR A 9 6.382 0.537 3.708 1.00 0.00 H new ATOM 0 HB3 TYR A 9 6.521 2.174 4.320 1.00 0.00 H new ATOM 0 HD1 TYR A 9 9.130 -0.536 4.217 1.00 0.00 H new ATOM 0 HD2 TYR A 9 7.853 3.294 2.753 1.00 0.00 H new ATOM 0 HE1 TYR A 9 11.291 -0.268 3.031 1.00 0.00 H new ATOM 0 HE2 TYR A 9 10.011 3.561 1.564 1.00 0.00 H new ATOM 0 HH TYR A 9 12.521 0.990 1.658 1.00 0.00 H new ATOM 146 N THR A 10 5.581 2.147 6.602 1.00 0.00 N ATOM 147 CA THR A 10 4.330 2.497 7.318 1.00 0.00 C ATOM 148 C THR A 10 3.534 3.410 6.396 1.00 0.00 C ATOM 149 O THR A 10 3.884 4.556 6.192 1.00 0.00 O ATOM 150 CB THR A 10 4.652 3.223 8.623 1.00 0.00 C ATOM 151 OG1 THR A 10 5.787 2.624 9.234 1.00 0.00 O ATOM 152 CG2 THR A 10 3.450 3.124 9.561 1.00 0.00 C ATOM 0 H THR A 10 6.097 2.943 6.228 1.00 0.00 H new ATOM 0 HA THR A 10 3.762 1.601 7.568 1.00 0.00 H new ATOM 0 HB THR A 10 4.869 4.271 8.416 1.00 0.00 H new ATOM 0 HG1 THR A 10 5.993 3.092 10.070 1.00 0.00 H new ATOM 0 HG21 THR A 10 3.673 3.640 10.495 1.00 0.00 H new ATOM 0 HG22 THR A 10 2.582 3.585 9.090 1.00 0.00 H new ATOM 0 HG23 THR A 10 3.236 2.076 9.769 1.00 0.00 H new ATOM 160 N GLY A 11 2.494 2.909 5.798 1.00 0.00 N ATOM 161 CA GLY A 11 1.721 3.755 4.851 1.00 0.00 C ATOM 162 C GLY A 11 0.371 4.151 5.439 1.00 0.00 C ATOM 163 O GLY A 11 -0.377 3.330 5.937 1.00 0.00 O ATOM 0 H GLY A 11 2.147 1.958 5.922 1.00 0.00 H new ATOM 0 HA2 GLY A 11 2.293 4.651 4.611 1.00 0.00 H new ATOM 0 HA3 GLY A 11 1.569 3.214 3.917 1.00 0.00 H new ATOM 167 N LYS A 12 0.047 5.411 5.351 1.00 0.00 N ATOM 168 CA LYS A 12 -1.260 5.889 5.860 1.00 0.00 C ATOM 169 C LYS A 12 -2.254 5.826 4.706 1.00 0.00 C ATOM 170 O LYS A 12 -1.869 5.814 3.553 1.00 0.00 O ATOM 171 CB LYS A 12 -1.133 7.337 6.337 1.00 0.00 C ATOM 172 CG LYS A 12 0.212 7.531 7.039 1.00 0.00 C ATOM 173 CD LYS A 12 -0.028 7.987 8.479 1.00 0.00 C ATOM 174 CE LYS A 12 0.336 9.464 8.611 1.00 0.00 C ATOM 175 NZ LYS A 12 -0.402 10.250 7.583 1.00 0.00 N ATOM 0 H LYS A 12 0.640 6.134 4.944 1.00 0.00 H new ATOM 0 HA LYS A 12 -1.591 5.272 6.695 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -1.214 8.018 5.490 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -1.948 7.579 7.019 1.00 0.00 H new ATOM 0 HG2 LYS A 12 0.777 6.599 7.030 1.00 0.00 H new ATOM 0 HG3 LYS A 12 0.809 8.271 6.506 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -1.072 7.833 8.752 1.00 0.00 H new ATOM 0 HD3 LYS A 12 0.572 7.390 9.166 1.00 0.00 H new ATOM 0 HE2 LYS A 12 0.085 9.824 9.609 1.00 0.00 H new ATOM 0 HE3 LYS A 12 1.410 9.598 8.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -0.552 11.219 7.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 0.152 10.278 6.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -1.322 9.802 7.398 1.00 0.00 H new ATOM 189 N VAL A 13 -3.520 5.789 4.985 1.00 0.00 N ATOM 190 CA VAL A 13 -4.499 5.724 3.872 1.00 0.00 C ATOM 191 C VAL A 13 -4.837 7.142 3.423 1.00 0.00 C ATOM 192 O VAL A 13 -5.663 7.813 4.008 1.00 0.00 O ATOM 193 CB VAL A 13 -5.767 5.021 4.346 1.00 0.00 C ATOM 194 CG1 VAL A 13 -6.759 4.928 3.187 1.00 0.00 C ATOM 195 CG2 VAL A 13 -5.413 3.616 4.830 1.00 0.00 C ATOM 0 H VAL A 13 -3.918 5.801 5.924 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.072 5.167 3.038 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.217 5.585 5.163 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -7.666 4.426 3.524 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -7.007 5.931 2.839 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -6.312 4.361 2.370 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -6.317 3.110 5.170 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -4.966 3.051 4.012 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.703 3.683 5.654 1.00 0.00 H new ATOM 205 N THR A 14 -4.190 7.605 2.391 1.00 0.00 N ATOM 206 CA THR A 14 -4.450 8.985 1.901 1.00 0.00 C ATOM 207 C THR A 14 -5.359 8.936 0.669 1.00 0.00 C ATOM 208 O THR A 14 -5.783 9.956 0.165 1.00 0.00 O ATOM 209 CB THR A 14 -3.122 9.655 1.529 1.00 0.00 C ATOM 210 OG1 THR A 14 -2.864 9.451 0.147 1.00 0.00 O ATOM 211 CG2 THR A 14 -1.982 9.051 2.355 1.00 0.00 C ATOM 0 H THR A 14 -3.489 7.084 1.864 1.00 0.00 H new ATOM 0 HA THR A 14 -4.941 9.558 2.688 1.00 0.00 H new ATOM 0 HB THR A 14 -3.187 10.723 1.738 1.00 0.00 H new ATOM 0 HG1 THR A 14 -2.016 9.880 -0.094 1.00 0.00 H new ATOM 0 HG21 THR A 14 -1.042 9.532 2.085 1.00 0.00 H new ATOM 0 HG22 THR A 14 -2.178 9.208 3.416 1.00 0.00 H new ATOM 0 HG23 THR A 14 -1.913 7.982 2.153 1.00 0.00 H new ATOM 219 N ARG A 15 -5.661 7.763 0.177 1.00 0.00 N ATOM 220 CA ARG A 15 -6.539 7.669 -1.028 1.00 0.00 C ATOM 221 C ARG A 15 -7.054 6.233 -1.195 1.00 0.00 C ATOM 222 O ARG A 15 -6.425 5.285 -0.777 1.00 0.00 O ATOM 223 CB ARG A 15 -5.732 8.059 -2.272 1.00 0.00 C ATOM 224 CG ARG A 15 -5.815 9.571 -2.496 1.00 0.00 C ATOM 225 CD ARG A 15 -4.430 10.188 -2.293 1.00 0.00 C ATOM 226 NE ARG A 15 -4.325 11.449 -3.080 1.00 0.00 N ATOM 227 CZ ARG A 15 -4.403 11.414 -4.383 1.00 0.00 C ATOM 228 NH1 ARG A 15 -3.404 10.952 -5.084 1.00 0.00 N ATOM 229 NH2 ARG A 15 -5.479 11.841 -4.985 1.00 0.00 N ATOM 0 H ARG A 15 -5.340 6.871 0.554 1.00 0.00 H new ATOM 0 HA ARG A 15 -7.387 8.343 -0.904 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -4.692 7.758 -2.150 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -6.116 7.532 -3.145 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -6.176 9.782 -3.503 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -6.529 10.015 -1.802 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -4.263 10.392 -1.235 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -3.658 9.486 -2.608 1.00 0.00 H new ATOM 0 HE ARG A 15 -4.192 12.340 -2.601 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -2.562 10.618 -4.614 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -3.465 10.925 -6.102 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -6.260 12.203 -4.438 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -5.539 11.813 -6.003 1.00 0.00 H new ATOM 243 N ILE A 16 -8.188 6.072 -1.823 1.00 0.00 N ATOM 244 CA ILE A 16 -8.742 4.705 -2.048 1.00 0.00 C ATOM 245 C ILE A 16 -9.375 4.672 -3.441 1.00 0.00 C ATOM 246 O ILE A 16 -9.793 5.689 -3.959 1.00 0.00 O ATOM 247 CB ILE A 16 -9.798 4.377 -0.986 1.00 0.00 C ATOM 248 CG1 ILE A 16 -9.169 4.510 0.406 1.00 0.00 C ATOM 249 CG2 ILE A 16 -10.296 2.942 -1.192 1.00 0.00 C ATOM 250 CD1 ILE A 16 -10.058 3.822 1.445 1.00 0.00 C ATOM 0 H ILE A 16 -8.758 6.833 -2.192 1.00 0.00 H new ATOM 0 HA ILE A 16 -7.946 3.964 -1.975 1.00 0.00 H new ATOM 0 HB ILE A 16 -10.638 5.066 -1.074 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -8.175 4.062 0.410 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -9.045 5.563 0.660 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -11.047 2.706 -0.438 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -10.736 2.849 -2.185 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -9.459 2.250 -1.100 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -9.606 3.920 2.432 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -11.042 4.290 1.449 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -10.159 2.766 1.195 1.00 0.00 H new ATOM 262 N VAL A 17 -9.435 3.528 -4.066 1.00 0.00 N ATOM 263 CA VAL A 17 -10.027 3.475 -5.433 1.00 0.00 C ATOM 264 C VAL A 17 -11.034 2.316 -5.523 1.00 0.00 C ATOM 265 O VAL A 17 -10.906 1.315 -4.851 1.00 0.00 O ATOM 266 CB VAL A 17 -8.896 3.292 -6.472 1.00 0.00 C ATOM 267 CG1 VAL A 17 -7.569 3.793 -5.907 1.00 0.00 C ATOM 268 CG2 VAL A 17 -8.728 1.820 -6.817 1.00 0.00 C ATOM 0 H VAL A 17 -9.104 2.637 -3.695 1.00 0.00 H new ATOM 0 HA VAL A 17 -10.554 4.406 -5.641 1.00 0.00 H new ATOM 0 HB VAL A 17 -9.167 3.861 -7.361 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -6.783 3.657 -6.650 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -7.655 4.851 -5.659 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -7.320 3.229 -5.008 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -7.929 1.707 -7.549 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -8.476 1.261 -5.916 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -9.659 1.435 -7.234 1.00 0.00 H new ATOM 278 N ASP A 18 -12.026 2.434 -6.360 1.00 0.00 N ATOM 279 CA ASP A 18 -13.013 1.326 -6.490 1.00 0.00 C ATOM 280 C ASP A 18 -12.272 0.049 -6.899 1.00 0.00 C ATOM 281 O ASP A 18 -12.579 -1.036 -6.445 1.00 0.00 O ATOM 282 CB ASP A 18 -14.042 1.684 -7.564 1.00 0.00 C ATOM 283 CG ASP A 18 -15.314 2.211 -6.897 1.00 0.00 C ATOM 284 OD1 ASP A 18 -15.217 3.183 -6.166 1.00 0.00 O ATOM 285 OD2 ASP A 18 -16.363 1.634 -7.129 1.00 0.00 O ATOM 0 H ASP A 18 -12.196 3.244 -6.956 1.00 0.00 H new ATOM 0 HA ASP A 18 -13.524 1.170 -5.540 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -13.633 2.437 -8.238 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -14.272 0.807 -8.169 1.00 0.00 H new ATOM 290 N PHE A 19 -11.298 0.178 -7.758 1.00 0.00 N ATOM 291 CA PHE A 19 -10.524 -1.014 -8.214 1.00 0.00 C ATOM 292 C PHE A 19 -9.287 -1.204 -7.329 1.00 0.00 C ATOM 293 O PHE A 19 -8.273 -1.697 -7.780 1.00 0.00 O ATOM 294 CB PHE A 19 -10.060 -0.782 -9.653 1.00 0.00 C ATOM 295 CG PHE A 19 -9.401 0.572 -9.728 1.00 0.00 C ATOM 296 CD1 PHE A 19 -8.070 0.724 -9.316 1.00 0.00 C ATOM 297 CD2 PHE A 19 -10.124 1.681 -10.183 1.00 0.00 C ATOM 298 CE1 PHE A 19 -7.466 1.987 -9.359 1.00 0.00 C ATOM 299 CE2 PHE A 19 -9.519 2.941 -10.222 1.00 0.00 C ATOM 300 CZ PHE A 19 -8.190 3.093 -9.809 1.00 0.00 C ATOM 0 H PHE A 19 -11.002 1.064 -8.167 1.00 0.00 H new ATOM 0 HA PHE A 19 -11.158 -1.899 -8.152 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -9.361 -1.561 -9.956 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -10.907 -0.830 -10.337 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -7.511 -0.131 -8.966 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -11.149 1.563 -10.504 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -6.440 2.106 -9.044 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -10.077 3.797 -10.571 1.00 0.00 H new ATOM 0 HZ PHE A 19 -7.724 4.067 -9.838 1.00 0.00 H new ATOM 310 N GLY A 20 -9.344 -0.818 -6.082 1.00 0.00 N ATOM 311 CA GLY A 20 -8.143 -0.992 -5.212 1.00 0.00 C ATOM 312 C GLY A 20 -8.075 0.099 -4.134 1.00 0.00 C ATOM 313 O GLY A 20 -9.076 0.623 -3.691 1.00 0.00 O ATOM 0 H GLY A 20 -10.157 -0.396 -5.633 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -8.173 -1.973 -4.738 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -7.241 -0.960 -5.823 1.00 0.00 H new ATOM 317 N ALA A 21 -6.888 0.441 -3.706 1.00 0.00 N ATOM 318 CA ALA A 21 -6.737 1.489 -2.660 1.00 0.00 C ATOM 319 C ALA A 21 -5.380 2.166 -2.822 1.00 0.00 C ATOM 320 O ALA A 21 -4.406 1.544 -3.182 1.00 0.00 O ATOM 321 CB ALA A 21 -6.802 0.850 -1.271 1.00 0.00 C ATOM 0 H ALA A 21 -6.013 0.036 -4.039 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.540 2.219 -2.766 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -6.691 1.622 -0.510 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -7.763 0.351 -1.145 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -5.999 0.121 -1.168 1.00 0.00 H new ATOM 327 N PHE A 22 -5.310 3.435 -2.557 1.00 0.00 N ATOM 328 CA PHE A 22 -4.020 4.159 -2.683 1.00 0.00 C ATOM 329 C PHE A 22 -3.478 4.451 -1.284 1.00 0.00 C ATOM 330 O PHE A 22 -4.219 4.743 -0.368 1.00 0.00 O ATOM 331 CB PHE A 22 -4.254 5.470 -3.431 1.00 0.00 C ATOM 332 CG PHE A 22 -4.430 5.193 -4.907 1.00 0.00 C ATOM 333 CD1 PHE A 22 -4.475 3.875 -5.388 1.00 0.00 C ATOM 334 CD2 PHE A 22 -4.542 6.264 -5.798 1.00 0.00 C ATOM 335 CE1 PHE A 22 -4.630 3.633 -6.755 1.00 0.00 C ATOM 336 CE2 PHE A 22 -4.694 6.021 -7.169 1.00 0.00 C ATOM 337 CZ PHE A 22 -4.738 4.704 -7.645 1.00 0.00 C ATOM 0 H PHE A 22 -6.098 4.008 -2.256 1.00 0.00 H new ATOM 0 HA PHE A 22 -3.300 3.553 -3.233 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -5.139 5.971 -3.038 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -3.411 6.143 -3.276 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -4.390 3.047 -4.700 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -4.511 7.279 -5.429 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -4.666 2.618 -7.123 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -4.777 6.848 -7.859 1.00 0.00 H new ATOM 0 HZ PHE A 22 -4.856 4.517 -8.702 1.00 0.00 H new ATOM 347 N VAL A 23 -2.193 4.364 -1.102 1.00 0.00 N ATOM 348 CA VAL A 23 -1.621 4.627 0.245 1.00 0.00 C ATOM 349 C VAL A 23 -0.418 5.566 0.119 1.00 0.00 C ATOM 350 O VAL A 23 0.126 5.751 -0.951 1.00 0.00 O ATOM 351 CB VAL A 23 -1.190 3.299 0.870 1.00 0.00 C ATOM 352 CG1 VAL A 23 -0.311 3.566 2.089 1.00 0.00 C ATOM 353 CG2 VAL A 23 -2.433 2.514 1.305 1.00 0.00 C ATOM 0 H VAL A 23 -1.515 4.123 -1.825 1.00 0.00 H new ATOM 0 HA VAL A 23 -2.369 5.100 0.880 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.628 2.721 0.137 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -0.006 2.618 2.532 1.00 0.00 H new ATOM 0 HG12 VAL A 23 0.573 4.126 1.784 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.872 4.145 2.822 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -2.128 1.567 1.751 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.993 3.096 2.037 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -3.063 2.320 0.437 1.00 0.00 H new ATOM 363 N ALA A 24 -0.004 6.170 1.199 1.00 0.00 N ATOM 364 CA ALA A 24 1.158 7.102 1.131 1.00 0.00 C ATOM 365 C ALA A 24 2.168 6.747 2.227 1.00 0.00 C ATOM 366 O ALA A 24 1.813 6.203 3.251 1.00 0.00 O ATOM 367 CB ALA A 24 0.667 8.538 1.334 1.00 0.00 C ATOM 0 H ALA A 24 -0.419 6.059 2.124 1.00 0.00 H new ATOM 0 HA ALA A 24 1.639 7.014 0.157 1.00 0.00 H new ATOM 0 HB1 ALA A 24 1.514 9.222 1.285 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -0.050 8.791 0.553 1.00 0.00 H new ATOM 0 HB3 ALA A 24 0.187 8.624 2.309 1.00 0.00 H new ATOM 373 N ILE A 25 3.425 7.050 2.026 1.00 0.00 N ATOM 374 CA ILE A 25 4.440 6.725 3.070 1.00 0.00 C ATOM 375 C ILE A 25 5.124 8.018 3.537 1.00 0.00 C ATOM 376 O ILE A 25 4.546 8.801 4.265 1.00 0.00 O ATOM 377 CB ILE A 25 5.475 5.752 2.499 1.00 0.00 C ATOM 378 CG1 ILE A 25 5.718 6.066 1.020 1.00 0.00 C ATOM 379 CG2 ILE A 25 4.951 4.323 2.630 1.00 0.00 C ATOM 380 CD1 ILE A 25 6.764 5.100 0.459 1.00 0.00 C ATOM 0 H ILE A 25 3.790 7.505 1.189 1.00 0.00 H new ATOM 0 HA ILE A 25 3.951 6.254 3.923 1.00 0.00 H new ATOM 0 HB ILE A 25 6.410 5.855 3.050 1.00 0.00 H new ATOM 0 HG12 ILE A 25 4.787 5.976 0.460 1.00 0.00 H new ATOM 0 HG13 ILE A 25 6.060 7.095 0.907 1.00 0.00 H new ATOM 0 HG21 ILE A 25 5.686 3.627 2.224 1.00 0.00 H new ATOM 0 HG22 ILE A 25 4.777 4.094 3.681 1.00 0.00 H new ATOM 0 HG23 ILE A 25 4.016 4.226 2.078 1.00 0.00 H new ATOM 0 HD11 ILE A 25 6.938 5.323 -0.594 1.00 0.00 H new ATOM 0 HD12 ILE A 25 7.697 5.212 1.012 1.00 0.00 H new ATOM 0 HD13 ILE A 25 6.404 4.076 0.559 1.00 0.00 H new ATOM 392 N GLY A 26 6.343 8.257 3.129 1.00 0.00 N ATOM 393 CA GLY A 26 7.038 9.503 3.562 1.00 0.00 C ATOM 394 C GLY A 26 6.628 10.660 2.648 1.00 0.00 C ATOM 395 O GLY A 26 6.132 10.456 1.558 1.00 0.00 O ATOM 0 H GLY A 26 6.884 7.646 2.518 1.00 0.00 H new ATOM 0 HA2 GLY A 26 6.782 9.734 4.596 1.00 0.00 H new ATOM 0 HA3 GLY A 26 8.118 9.361 3.525 1.00 0.00 H new ATOM 399 N GLY A 27 6.829 11.874 3.084 1.00 0.00 N ATOM 400 CA GLY A 27 6.450 13.041 2.239 1.00 0.00 C ATOM 401 C GLY A 27 7.078 12.893 0.853 1.00 0.00 C ATOM 402 O GLY A 27 8.270 13.049 0.680 1.00 0.00 O ATOM 0 H GLY A 27 7.239 12.107 3.988 1.00 0.00 H new ATOM 0 HA2 GLY A 27 5.365 13.104 2.153 1.00 0.00 H new ATOM 0 HA3 GLY A 27 6.788 13.966 2.706 1.00 0.00 H new ATOM 406 N GLY A 28 6.284 12.592 -0.140 1.00 0.00 N ATOM 407 CA GLY A 28 6.837 12.433 -1.515 1.00 0.00 C ATOM 408 C GLY A 28 6.636 10.991 -1.982 1.00 0.00 C ATOM 409 O GLY A 28 6.132 10.741 -3.059 1.00 0.00 O ATOM 0 H GLY A 28 5.277 12.450 -0.058 1.00 0.00 H new ATOM 0 HA2 GLY A 28 6.341 13.121 -2.200 1.00 0.00 H new ATOM 0 HA3 GLY A 28 7.898 12.685 -1.523 1.00 0.00 H new ATOM 413 N LYS A 29 7.026 10.038 -1.180 1.00 0.00 N ATOM 414 CA LYS A 29 6.854 8.614 -1.577 1.00 0.00 C ATOM 415 C LYS A 29 5.463 8.139 -1.160 1.00 0.00 C ATOM 416 O LYS A 29 4.956 8.505 -0.117 1.00 0.00 O ATOM 417 CB LYS A 29 7.913 7.756 -0.882 1.00 0.00 C ATOM 418 CG LYS A 29 9.298 8.132 -1.407 1.00 0.00 C ATOM 419 CD LYS A 29 9.321 7.991 -2.929 1.00 0.00 C ATOM 420 CE LYS A 29 10.551 7.182 -3.346 1.00 0.00 C ATOM 421 NZ LYS A 29 10.445 6.828 -4.790 1.00 0.00 N ATOM 0 H LYS A 29 7.456 10.185 -0.267 1.00 0.00 H new ATOM 0 HA LYS A 29 6.966 8.521 -2.657 1.00 0.00 H new ATOM 0 HB2 LYS A 29 7.868 7.907 0.197 1.00 0.00 H new ATOM 0 HB3 LYS A 29 7.718 6.699 -1.065 1.00 0.00 H new ATOM 0 HG2 LYS A 29 9.541 9.156 -1.122 1.00 0.00 H new ATOM 0 HG3 LYS A 29 10.055 7.488 -0.960 1.00 0.00 H new ATOM 0 HD2 LYS A 29 8.413 7.496 -3.273 1.00 0.00 H new ATOM 0 HD3 LYS A 29 9.344 8.976 -3.396 1.00 0.00 H new ATOM 0 HE2 LYS A 29 11.458 7.760 -3.168 1.00 0.00 H new ATOM 0 HE3 LYS A 29 10.626 6.277 -2.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 11.280 6.278 -5.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 9.587 6.261 -4.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 10.393 7.698 -5.358 1.00 0.00 H new ATOM 435 N GLU A 30 4.835 7.326 -1.962 1.00 0.00 N ATOM 436 CA GLU A 30 3.477 6.841 -1.594 1.00 0.00 C ATOM 437 C GLU A 30 3.357 5.347 -1.884 1.00 0.00 C ATOM 438 O GLU A 30 3.981 4.820 -2.783 1.00 0.00 O ATOM 439 CB GLU A 30 2.407 7.592 -2.398 1.00 0.00 C ATOM 440 CG GLU A 30 2.955 8.942 -2.869 1.00 0.00 C ATOM 441 CD GLU A 30 1.998 9.549 -3.895 1.00 0.00 C ATOM 442 OE1 GLU A 30 0.848 9.141 -3.918 1.00 0.00 O ATOM 443 OE2 GLU A 30 2.430 10.411 -4.642 1.00 0.00 O ATOM 0 H GLU A 30 5.200 6.979 -2.849 1.00 0.00 H new ATOM 0 HA GLU A 30 3.326 7.022 -0.530 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.101 6.995 -3.257 1.00 0.00 H new ATOM 0 HB3 GLU A 30 1.520 7.745 -1.784 1.00 0.00 H new ATOM 0 HG2 GLU A 30 3.071 9.616 -2.020 1.00 0.00 H new ATOM 0 HG3 GLU A 30 3.943 8.812 -3.310 1.00 0.00 H new ATOM 450 N GLY A 31 2.537 4.666 -1.132 1.00 0.00 N ATOM 451 CA GLY A 31 2.341 3.210 -1.357 1.00 0.00 C ATOM 452 C GLY A 31 1.019 3.017 -2.093 1.00 0.00 C ATOM 453 O GLY A 31 0.348 3.971 -2.427 1.00 0.00 O ATOM 0 H GLY A 31 1.991 5.061 -0.366 1.00 0.00 H new ATOM 0 HA2 GLY A 31 3.165 2.801 -1.942 1.00 0.00 H new ATOM 0 HA3 GLY A 31 2.329 2.676 -0.407 1.00 0.00 H new ATOM 457 N LEU A 32 0.620 1.802 -2.345 1.00 0.00 N ATOM 458 CA LEU A 32 -0.676 1.600 -3.044 1.00 0.00 C ATOM 459 C LEU A 32 -1.316 0.291 -2.608 1.00 0.00 C ATOM 460 O LEU A 32 -0.802 -0.781 -2.858 1.00 0.00 O ATOM 461 CB LEU A 32 -0.485 1.559 -4.553 1.00 0.00 C ATOM 462 CG LEU A 32 -1.838 1.860 -5.193 1.00 0.00 C ATOM 463 CD1 LEU A 32 -1.783 3.215 -5.873 1.00 0.00 C ATOM 464 CD2 LEU A 32 -2.196 0.788 -6.217 1.00 0.00 C ATOM 0 H LEU A 32 1.128 0.952 -2.101 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.320 2.439 -2.782 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.259 2.292 -4.866 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.121 0.581 -4.867 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.602 1.868 -4.415 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.748 3.432 -6.331 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.550 3.983 -5.135 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.011 3.205 -6.642 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.163 1.019 -6.663 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.435 0.761 -6.996 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.246 -0.183 -5.725 1.00 0.00 H new ATOM 476 N VAL A 33 -2.456 0.369 -1.992 1.00 0.00 N ATOM 477 CA VAL A 33 -3.158 -0.864 -1.577 1.00 0.00 C ATOM 478 C VAL A 33 -4.088 -1.275 -2.717 1.00 0.00 C ATOM 479 O VAL A 33 -5.291 -1.346 -2.564 1.00 0.00 O ATOM 480 CB VAL A 33 -3.969 -0.580 -0.312 1.00 0.00 C ATOM 481 CG1 VAL A 33 -4.766 -1.823 0.093 1.00 0.00 C ATOM 482 CG2 VAL A 33 -3.009 -0.202 0.815 1.00 0.00 C ATOM 0 H VAL A 33 -2.933 1.240 -1.758 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.450 -1.665 -1.364 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.664 0.237 -0.503 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.340 -1.609 0.995 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -5.446 -2.098 -0.713 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -4.080 -2.648 0.286 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.576 0.003 1.723 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.319 -1.026 0.997 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.446 0.687 0.531 1.00 0.00 H new ATOM 492 N HIS A 34 -3.546 -1.531 -3.873 1.00 0.00 N ATOM 493 CA HIS A 34 -4.419 -1.927 -5.004 1.00 0.00 C ATOM 494 C HIS A 34 -5.357 -3.031 -4.507 1.00 0.00 C ATOM 495 O HIS A 34 -5.072 -3.704 -3.537 1.00 0.00 O ATOM 496 CB HIS A 34 -3.575 -2.445 -6.169 1.00 0.00 C ATOM 497 CG HIS A 34 -4.352 -2.301 -7.449 1.00 0.00 C ATOM 498 ND1 HIS A 34 -4.507 -3.350 -8.342 1.00 0.00 N ATOM 499 CD2 HIS A 34 -5.029 -1.239 -7.998 1.00 0.00 C ATOM 500 CE1 HIS A 34 -5.249 -2.900 -9.370 1.00 0.00 C ATOM 501 NE2 HIS A 34 -5.594 -1.619 -9.211 1.00 0.00 N ATOM 0 H HIS A 34 -2.548 -1.483 -4.080 1.00 0.00 H new ATOM 0 HA HIS A 34 -4.991 -1.069 -5.356 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -2.641 -1.887 -6.233 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -3.312 -3.490 -6.006 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -4.128 -4.291 -8.239 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -5.110 -0.257 -7.555 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -5.532 -3.502 -10.221 1.00 0.00 H new ATOM 509 N ILE A 35 -6.473 -3.215 -5.147 1.00 0.00 N ATOM 510 CA ILE A 35 -7.429 -4.263 -4.695 1.00 0.00 C ATOM 511 C ILE A 35 -6.686 -5.576 -4.433 1.00 0.00 C ATOM 512 O ILE A 35 -6.876 -6.213 -3.415 1.00 0.00 O ATOM 513 CB ILE A 35 -8.489 -4.474 -5.778 1.00 0.00 C ATOM 514 CG1 ILE A 35 -9.293 -5.739 -5.467 1.00 0.00 C ATOM 515 CG2 ILE A 35 -7.805 -4.625 -7.138 1.00 0.00 C ATOM 516 CD1 ILE A 35 -10.107 -5.525 -4.189 1.00 0.00 C ATOM 0 H ILE A 35 -6.767 -2.684 -5.967 1.00 0.00 H new ATOM 0 HA ILE A 35 -7.907 -3.942 -3.770 1.00 0.00 H new ATOM 0 HB ILE A 35 -9.160 -3.615 -5.802 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -9.957 -5.974 -6.299 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -8.621 -6.589 -5.345 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -8.560 -4.775 -7.910 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -7.233 -3.724 -7.360 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.134 -5.484 -7.114 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -10.680 -6.426 -3.967 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -9.433 -5.310 -3.360 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -10.789 -4.686 -4.328 1.00 0.00 H new ATOM 528 N SER A 36 -5.850 -5.994 -5.342 1.00 0.00 N ATOM 529 CA SER A 36 -5.108 -7.274 -5.143 1.00 0.00 C ATOM 530 C SER A 36 -3.887 -7.061 -4.236 1.00 0.00 C ATOM 531 O SER A 36 -2.838 -7.628 -4.468 1.00 0.00 O ATOM 532 CB SER A 36 -4.637 -7.800 -6.499 1.00 0.00 C ATOM 533 OG SER A 36 -3.867 -6.796 -7.149 1.00 0.00 O ATOM 0 H SER A 36 -5.647 -5.506 -6.214 1.00 0.00 H new ATOM 0 HA SER A 36 -5.776 -7.993 -4.669 1.00 0.00 H new ATOM 0 HB2 SER A 36 -4.041 -8.703 -6.365 1.00 0.00 H new ATOM 0 HB3 SER A 36 -5.494 -8.073 -7.114 1.00 0.00 H new ATOM 0 HG SER A 36 -3.561 -7.130 -8.018 1.00 0.00 H new ATOM 539 N GLN A 37 -3.999 -6.261 -3.208 1.00 0.00 N ATOM 540 CA GLN A 37 -2.817 -6.051 -2.317 1.00 0.00 C ATOM 541 C GLN A 37 -3.267 -5.742 -0.886 1.00 0.00 C ATOM 542 O GLN A 37 -2.857 -4.760 -0.301 1.00 0.00 O ATOM 543 CB GLN A 37 -1.981 -4.884 -2.842 1.00 0.00 C ATOM 544 CG GLN A 37 -2.043 -4.858 -4.368 1.00 0.00 C ATOM 545 CD GLN A 37 -1.184 -3.706 -4.892 1.00 0.00 C ATOM 546 OE1 GLN A 37 -0.750 -2.864 -4.132 1.00 0.00 O ATOM 547 NE2 GLN A 37 -0.919 -3.633 -6.167 1.00 0.00 N ATOM 0 H GLN A 37 -4.843 -5.751 -2.948 1.00 0.00 H new ATOM 0 HA GLN A 37 -2.222 -6.964 -2.311 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -2.355 -3.944 -2.436 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -0.947 -4.986 -2.511 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -1.687 -5.805 -4.774 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -3.074 -4.737 -4.699 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -1.284 -4.340 -6.805 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -0.347 -2.869 -6.526 1.00 0.00 H new ATOM 556 N ILE A 38 -4.093 -6.572 -0.308 1.00 0.00 N ATOM 557 CA ILE A 38 -4.538 -6.311 1.090 1.00 0.00 C ATOM 558 C ILE A 38 -4.266 -7.545 1.952 1.00 0.00 C ATOM 559 O ILE A 38 -3.175 -7.745 2.448 1.00 0.00 O ATOM 560 CB ILE A 38 -6.035 -5.987 1.122 1.00 0.00 C ATOM 561 CG1 ILE A 38 -6.271 -4.580 0.564 1.00 0.00 C ATOM 562 CG2 ILE A 38 -6.530 -6.041 2.571 1.00 0.00 C ATOM 563 CD1 ILE A 38 -5.811 -4.521 -0.893 1.00 0.00 C ATOM 0 H ILE A 38 -4.476 -7.413 -0.740 1.00 0.00 H new ATOM 0 HA ILE A 38 -3.984 -5.458 1.482 1.00 0.00 H new ATOM 0 HB ILE A 38 -6.576 -6.714 0.516 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -7.328 -4.323 0.633 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -5.726 -3.846 1.158 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -7.595 -5.811 2.600 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -6.363 -7.039 2.976 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -5.985 -5.311 3.169 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -5.980 -3.519 -1.288 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -4.749 -4.759 -0.949 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -6.376 -5.243 -1.482 1.00 0.00 H new ATOM 575 N ALA A 39 -5.255 -8.373 2.131 1.00 0.00 N ATOM 576 CA ALA A 39 -5.072 -9.595 2.958 1.00 0.00 C ATOM 577 C ALA A 39 -4.786 -10.783 2.042 1.00 0.00 C ATOM 578 O ALA A 39 -5.467 -11.788 2.088 1.00 0.00 O ATOM 579 CB ALA A 39 -6.351 -9.867 3.752 1.00 0.00 C ATOM 0 H ALA A 39 -6.188 -8.254 1.737 1.00 0.00 H new ATOM 0 HA ALA A 39 -4.239 -9.451 3.646 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -6.219 -10.763 4.359 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -6.564 -9.017 4.401 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -7.182 -10.015 3.063 1.00 0.00 H new ATOM 585 N ASP A 40 -3.788 -10.665 1.206 1.00 0.00 N ATOM 586 CA ASP A 40 -3.446 -11.776 0.270 1.00 0.00 C ATOM 587 C ASP A 40 -4.343 -11.701 -0.968 1.00 0.00 C ATOM 588 O ASP A 40 -3.888 -11.874 -2.080 1.00 0.00 O ATOM 589 CB ASP A 40 -3.639 -13.128 0.966 1.00 0.00 C ATOM 590 CG ASP A 40 -2.666 -14.150 0.378 1.00 0.00 C ATOM 591 OD1 ASP A 40 -2.069 -13.852 -0.643 1.00 0.00 O ATOM 592 OD2 ASP A 40 -2.532 -15.215 0.960 1.00 0.00 O ATOM 0 H ASP A 40 -3.191 -9.841 1.131 1.00 0.00 H new ATOM 0 HA ASP A 40 -2.403 -11.678 -0.032 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -3.470 -13.024 2.038 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -4.665 -13.472 0.837 1.00 0.00 H new ATOM 597 N LYS A 41 -5.613 -11.442 -0.788 1.00 0.00 N ATOM 598 CA LYS A 41 -6.531 -11.359 -1.960 1.00 0.00 C ATOM 599 C LYS A 41 -7.989 -11.383 -1.485 1.00 0.00 C ATOM 600 O LYS A 41 -8.884 -10.963 -2.190 1.00 0.00 O ATOM 601 CB LYS A 41 -6.269 -12.556 -2.876 1.00 0.00 C ATOM 602 CG LYS A 41 -7.437 -12.740 -3.850 1.00 0.00 C ATOM 603 CD LYS A 41 -8.328 -13.886 -3.366 1.00 0.00 C ATOM 604 CE LYS A 41 -8.508 -14.903 -4.494 1.00 0.00 C ATOM 605 NZ LYS A 41 -9.579 -14.437 -5.419 1.00 0.00 N ATOM 0 H LYS A 41 -6.052 -11.285 0.119 1.00 0.00 H new ATOM 0 HA LYS A 41 -6.353 -10.430 -2.501 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -5.343 -12.403 -3.431 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -6.138 -13.459 -2.279 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -8.016 -11.819 -3.919 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.060 -12.955 -4.850 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -7.880 -14.367 -2.496 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -9.298 -13.499 -3.052 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -7.572 -15.027 -5.038 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -8.768 -15.877 -4.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -9.701 -15.129 -6.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -10.472 -14.340 -4.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -9.313 -13.516 -5.823 1.00 0.00 H new ATOM 619 N ARG A 42 -8.239 -11.887 -0.305 1.00 0.00 N ATOM 620 CA ARG A 42 -9.641 -11.953 0.199 1.00 0.00 C ATOM 621 C ARG A 42 -10.102 -10.571 0.682 1.00 0.00 C ATOM 622 O ARG A 42 -10.177 -10.312 1.866 1.00 0.00 O ATOM 623 CB ARG A 42 -9.712 -12.947 1.361 1.00 0.00 C ATOM 624 CG ARG A 42 -10.657 -14.094 0.996 1.00 0.00 C ATOM 625 CD ARG A 42 -11.580 -14.391 2.179 1.00 0.00 C ATOM 626 NE ARG A 42 -10.784 -14.970 3.297 1.00 0.00 N ATOM 627 CZ ARG A 42 -11.343 -15.798 4.137 1.00 0.00 C ATOM 628 NH1 ARG A 42 -12.644 -15.847 4.241 1.00 0.00 N ATOM 629 NH2 ARG A 42 -10.601 -16.580 4.873 1.00 0.00 N ATOM 0 H ARG A 42 -7.532 -12.256 0.331 1.00 0.00 H new ATOM 0 HA ARG A 42 -10.294 -12.278 -0.611 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -8.718 -13.337 1.581 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -10.064 -12.445 2.262 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -11.247 -13.828 0.119 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -10.083 -14.984 0.737 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -12.075 -13.477 2.506 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -12.363 -15.087 1.877 1.00 0.00 H new ATOM 0 HE ARG A 42 -9.801 -14.719 3.406 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -13.225 -15.238 3.665 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -13.079 -16.495 4.898 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -9.585 -16.544 4.792 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -11.037 -17.227 5.530 1.00 0.00 H new ATOM 643 N VAL A 43 -10.432 -9.692 -0.225 1.00 0.00 N ATOM 644 CA VAL A 43 -10.911 -8.340 0.177 1.00 0.00 C ATOM 645 C VAL A 43 -12.020 -7.901 -0.779 1.00 0.00 C ATOM 646 O VAL A 43 -11.817 -7.073 -1.644 1.00 0.00 O ATOM 647 CB VAL A 43 -9.765 -7.337 0.119 1.00 0.00 C ATOM 648 CG1 VAL A 43 -10.321 -5.923 0.271 1.00 0.00 C ATOM 649 CG2 VAL A 43 -8.791 -7.632 1.253 1.00 0.00 C ATOM 0 H VAL A 43 -10.390 -9.854 -1.231 1.00 0.00 H new ATOM 0 HA VAL A 43 -11.292 -8.381 1.198 1.00 0.00 H new ATOM 0 HB VAL A 43 -9.248 -7.418 -0.837 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -9.503 -5.204 0.230 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -11.024 -5.720 -0.537 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -10.834 -5.835 1.229 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -7.967 -6.919 1.220 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -9.308 -7.545 2.209 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -8.400 -8.644 1.143 1.00 0.00 H new ATOM 659 N GLU A 44 -13.187 -8.463 -0.633 1.00 0.00 N ATOM 660 CA GLU A 44 -14.319 -8.101 -1.533 1.00 0.00 C ATOM 661 C GLU A 44 -14.336 -6.589 -1.785 1.00 0.00 C ATOM 662 O GLU A 44 -14.797 -6.133 -2.813 1.00 0.00 O ATOM 663 CB GLU A 44 -15.636 -8.526 -0.881 1.00 0.00 C ATOM 664 CG GLU A 44 -15.637 -10.043 -0.682 1.00 0.00 C ATOM 665 CD GLU A 44 -16.591 -10.411 0.456 1.00 0.00 C ATOM 666 OE1 GLU A 44 -17.784 -10.466 0.207 1.00 0.00 O ATOM 667 OE2 GLU A 44 -16.112 -10.629 1.555 1.00 0.00 O ATOM 0 H GLU A 44 -13.407 -9.163 0.076 1.00 0.00 H new ATOM 0 HA GLU A 44 -14.195 -8.614 -2.487 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -15.759 -8.022 0.078 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -16.477 -8.230 -1.508 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -15.944 -10.540 -1.602 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -14.630 -10.390 -0.452 1.00 0.00 H new ATOM 674 N LYS A 45 -13.845 -5.805 -0.863 1.00 0.00 N ATOM 675 CA LYS A 45 -13.853 -4.328 -1.075 1.00 0.00 C ATOM 676 C LYS A 45 -12.575 -3.706 -0.509 1.00 0.00 C ATOM 677 O LYS A 45 -12.119 -4.059 0.560 1.00 0.00 O ATOM 678 CB LYS A 45 -15.069 -3.721 -0.374 1.00 0.00 C ATOM 679 CG LYS A 45 -16.022 -3.141 -1.422 1.00 0.00 C ATOM 680 CD LYS A 45 -17.049 -4.201 -1.822 1.00 0.00 C ATOM 681 CE LYS A 45 -18.067 -3.587 -2.785 1.00 0.00 C ATOM 682 NZ LYS A 45 -17.781 -4.050 -4.173 1.00 0.00 N ATOM 0 H LYS A 45 -13.442 -6.119 0.020 1.00 0.00 H new ATOM 0 HA LYS A 45 -13.903 -4.123 -2.144 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -15.580 -4.482 0.217 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -14.752 -2.940 0.317 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -16.528 -2.262 -1.022 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -15.461 -2.815 -2.298 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -16.549 -5.047 -2.295 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -17.556 -4.584 -0.936 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -19.077 -3.875 -2.495 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -18.019 -2.499 -2.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -18.473 -3.633 -4.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -16.823 -3.754 -4.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -17.848 -5.087 -4.214 1.00 0.00 H new ATOM 696 N VAL A 46 -12.001 -2.772 -1.217 1.00 0.00 N ATOM 697 CA VAL A 46 -10.754 -2.115 -0.715 1.00 0.00 C ATOM 698 C VAL A 46 -11.136 -1.048 0.306 1.00 0.00 C ATOM 699 O VAL A 46 -10.375 -0.723 1.198 1.00 0.00 O ATOM 700 CB VAL A 46 -9.957 -1.468 -1.863 1.00 0.00 C ATOM 701 CG1 VAL A 46 -8.574 -2.121 -1.939 1.00 0.00 C ATOM 702 CG2 VAL A 46 -10.673 -1.653 -3.204 1.00 0.00 C ATOM 0 H VAL A 46 -12.338 -2.434 -2.119 1.00 0.00 H new ATOM 0 HA VAL A 46 -10.122 -2.875 -0.255 1.00 0.00 H new ATOM 0 HB VAL A 46 -9.867 -0.400 -1.664 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -8.002 -1.669 -2.749 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -8.048 -1.970 -0.996 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -8.686 -3.189 -2.126 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -10.088 -1.186 -3.996 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -10.784 -2.717 -3.413 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -11.658 -1.188 -3.158 1.00 0.00 H new ATOM 712 N THR A 47 -12.321 -0.513 0.197 1.00 0.00 N ATOM 713 CA THR A 47 -12.764 0.519 1.174 1.00 0.00 C ATOM 714 C THR A 47 -13.195 -0.174 2.472 1.00 0.00 C ATOM 715 O THR A 47 -13.672 0.456 3.395 1.00 0.00 O ATOM 716 CB THR A 47 -13.945 1.302 0.593 1.00 0.00 C ATOM 717 OG1 THR A 47 -14.978 0.397 0.230 1.00 0.00 O ATOM 718 CG2 THR A 47 -13.487 2.079 -0.641 1.00 0.00 C ATOM 0 H THR A 47 -13.001 -0.746 -0.527 1.00 0.00 H new ATOM 0 HA THR A 47 -11.944 1.208 1.379 1.00 0.00 H new ATOM 0 HB THR A 47 -14.320 2.001 1.340 1.00 0.00 H new ATOM 0 HG1 THR A 47 -15.735 0.897 -0.140 1.00 0.00 H new ATOM 0 HG21 THR A 47 -14.328 2.636 -1.053 1.00 0.00 H new ATOM 0 HG22 THR A 47 -12.695 2.773 -0.360 1.00 0.00 H new ATOM 0 HG23 THR A 47 -13.110 1.383 -1.390 1.00 0.00 H new ATOM 726 N ASP A 48 -13.016 -1.468 2.554 1.00 0.00 N ATOM 727 CA ASP A 48 -13.398 -2.205 3.792 1.00 0.00 C ATOM 728 C ASP A 48 -12.123 -2.539 4.558 1.00 0.00 C ATOM 729 O ASP A 48 -12.109 -2.614 5.770 1.00 0.00 O ATOM 730 CB ASP A 48 -14.122 -3.503 3.421 1.00 0.00 C ATOM 731 CG ASP A 48 -15.379 -3.174 2.614 1.00 0.00 C ATOM 732 OD1 ASP A 48 -15.453 -2.076 2.090 1.00 0.00 O ATOM 733 OD2 ASP A 48 -16.249 -4.028 2.537 1.00 0.00 O ATOM 0 H ASP A 48 -12.620 -2.046 1.813 1.00 0.00 H new ATOM 0 HA ASP A 48 -14.062 -1.593 4.402 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -13.462 -4.147 2.839 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -14.390 -4.053 4.323 1.00 0.00 H new ATOM 738 N TYR A 49 -11.050 -2.734 3.847 1.00 0.00 N ATOM 739 CA TYR A 49 -9.762 -3.055 4.509 1.00 0.00 C ATOM 740 C TYR A 49 -9.018 -1.755 4.806 1.00 0.00 C ATOM 741 O TYR A 49 -8.331 -1.636 5.801 1.00 0.00 O ATOM 742 CB TYR A 49 -8.930 -3.939 3.584 1.00 0.00 C ATOM 743 CG TYR A 49 -9.546 -5.316 3.554 1.00 0.00 C ATOM 744 CD1 TYR A 49 -10.815 -5.497 2.992 1.00 0.00 C ATOM 745 CD2 TYR A 49 -8.863 -6.406 4.106 1.00 0.00 C ATOM 746 CE1 TYR A 49 -11.401 -6.764 2.978 1.00 0.00 C ATOM 747 CE2 TYR A 49 -9.451 -7.676 4.095 1.00 0.00 C ATOM 748 CZ TYR A 49 -10.723 -7.855 3.531 1.00 0.00 C ATOM 749 OH TYR A 49 -11.303 -9.107 3.521 1.00 0.00 O ATOM 0 H TYR A 49 -11.012 -2.684 2.829 1.00 0.00 H new ATOM 0 HA TYR A 49 -9.941 -3.587 5.443 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -8.901 -3.515 2.580 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -7.900 -3.993 3.937 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -11.342 -4.655 2.568 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -7.884 -6.267 4.540 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -12.378 -6.902 2.540 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -8.926 -8.518 4.521 1.00 0.00 H new ATOM 0 HH TYR A 49 -10.669 -9.758 3.154 1.00 0.00 H new ATOM 759 N LEU A 50 -9.155 -0.771 3.956 1.00 0.00 N ATOM 760 CA LEU A 50 -8.457 0.523 4.208 1.00 0.00 C ATOM 761 C LEU A 50 -9.471 1.594 4.616 1.00 0.00 C ATOM 762 O LEU A 50 -10.621 1.561 4.226 1.00 0.00 O ATOM 763 CB LEU A 50 -7.744 0.990 2.933 1.00 0.00 C ATOM 764 CG LEU A 50 -6.272 0.551 2.914 1.00 0.00 C ATOM 765 CD1 LEU A 50 -5.496 1.486 1.991 1.00 0.00 C ATOM 766 CD2 LEU A 50 -5.658 0.623 4.316 1.00 0.00 C ATOM 0 H LEU A 50 -9.716 -0.807 3.105 1.00 0.00 H new ATOM 0 HA LEU A 50 -7.731 0.374 5.008 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -8.256 0.585 2.060 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -7.801 2.076 2.861 1.00 0.00 H new ATOM 0 HG LEU A 50 -6.219 -0.479 2.563 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.448 1.187 1.967 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.912 1.432 0.985 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -5.573 2.509 2.361 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.616 0.307 4.273 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.712 1.647 4.685 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -6.209 -0.034 4.989 1.00 0.00 H new ATOM 778 N GLN A 51 -9.039 2.555 5.387 1.00 0.00 N ATOM 779 CA GLN A 51 -9.953 3.651 5.815 1.00 0.00 C ATOM 780 C GLN A 51 -9.204 4.978 5.702 1.00 0.00 C ATOM 781 O GLN A 51 -8.043 5.074 6.039 1.00 0.00 O ATOM 782 CB GLN A 51 -10.384 3.429 7.265 1.00 0.00 C ATOM 783 CG GLN A 51 -11.897 3.627 7.383 1.00 0.00 C ATOM 784 CD GLN A 51 -12.259 5.060 6.984 1.00 0.00 C ATOM 785 OE1 GLN A 51 -11.881 6.003 7.652 1.00 0.00 O ATOM 786 NE2 GLN A 51 -12.981 5.264 5.917 1.00 0.00 N ATOM 0 H GLN A 51 -8.085 2.628 5.741 1.00 0.00 H new ATOM 0 HA GLN A 51 -10.840 3.664 5.181 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -10.112 2.424 7.587 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -9.863 4.126 7.921 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -12.418 2.917 6.741 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -12.221 3.430 8.405 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -13.298 4.473 5.357 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -13.229 6.215 5.643 1.00 0.00 H new ATOM 795 N MET A 52 -9.850 6.002 5.221 1.00 0.00 N ATOM 796 CA MET A 52 -9.158 7.314 5.082 1.00 0.00 C ATOM 797 C MET A 52 -8.733 7.826 6.461 1.00 0.00 C ATOM 798 O MET A 52 -9.476 8.515 7.131 1.00 0.00 O ATOM 799 CB MET A 52 -10.109 8.324 4.434 1.00 0.00 C ATOM 800 CG MET A 52 -10.336 7.945 2.969 1.00 0.00 C ATOM 801 SD MET A 52 -10.749 9.429 2.018 1.00 0.00 S ATOM 802 CE MET A 52 -11.184 8.593 0.473 1.00 0.00 C ATOM 0 H MET A 52 -10.824 5.989 4.919 1.00 0.00 H new ATOM 0 HA MET A 52 -8.273 7.190 4.457 1.00 0.00 H new ATOM 0 HB2 MET A 52 -11.059 8.339 4.968 1.00 0.00 H new ATOM 0 HB3 MET A 52 -9.690 9.328 4.500 1.00 0.00 H new ATOM 0 HG2 MET A 52 -9.441 7.476 2.561 1.00 0.00 H new ATOM 0 HG3 MET A 52 -11.142 7.215 2.892 1.00 0.00 H new ATOM 0 HE1 MET A 52 -11.477 9.333 -0.271 1.00 0.00 H new ATOM 0 HE2 MET A 52 -10.324 8.032 0.108 1.00 0.00 H new ATOM 0 HE3 MET A 52 -12.014 7.909 0.651 1.00 0.00 H new ATOM 812 N GLY A 53 -7.539 7.506 6.888 1.00 0.00 N ATOM 813 CA GLY A 53 -7.075 7.991 8.221 1.00 0.00 C ATOM 814 C GLY A 53 -6.346 6.872 8.972 1.00 0.00 C ATOM 815 O GLY A 53 -5.560 7.124 9.863 1.00 0.00 O ATOM 0 H GLY A 53 -6.869 6.933 6.375 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -6.410 8.845 8.093 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -7.927 8.336 8.807 1.00 0.00 H new ATOM 819 N GLN A 54 -6.604 5.640 8.631 1.00 0.00 N ATOM 820 CA GLN A 54 -5.931 4.516 9.341 1.00 0.00 C ATOM 821 C GLN A 54 -4.492 4.366 8.842 1.00 0.00 C ATOM 822 O GLN A 54 -4.200 4.575 7.681 1.00 0.00 O ATOM 823 CB GLN A 54 -6.696 3.219 9.079 1.00 0.00 C ATOM 824 CG GLN A 54 -8.086 3.311 9.708 1.00 0.00 C ATOM 825 CD GLN A 54 -8.147 2.413 10.945 1.00 0.00 C ATOM 826 OE1 GLN A 54 -7.176 1.768 11.289 1.00 0.00 O ATOM 827 NE2 GLN A 54 -9.254 2.342 11.631 1.00 0.00 N ATOM 0 H GLN A 54 -7.251 5.363 7.893 1.00 0.00 H new ATOM 0 HA GLN A 54 -5.918 4.727 10.410 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -6.781 3.045 8.006 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -6.151 2.372 9.497 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -8.305 4.343 9.983 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -8.844 3.006 8.987 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -10.069 2.883 11.342 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -9.305 1.745 12.456 1.00 0.00 H new ATOM 836 N GLU A 55 -3.594 3.994 9.714 1.00 0.00 N ATOM 837 CA GLU A 55 -2.174 3.815 9.301 1.00 0.00 C ATOM 838 C GLU A 55 -1.812 2.333 9.406 1.00 0.00 C ATOM 839 O GLU A 55 -2.014 1.711 10.431 1.00 0.00 O ATOM 840 CB GLU A 55 -1.263 4.628 10.224 1.00 0.00 C ATOM 841 CG GLU A 55 -1.937 5.958 10.566 1.00 0.00 C ATOM 842 CD GLU A 55 -2.699 5.821 11.885 1.00 0.00 C ATOM 843 OE1 GLU A 55 -2.151 5.234 12.803 1.00 0.00 O ATOM 844 OE2 GLU A 55 -3.816 6.305 11.955 1.00 0.00 O ATOM 0 H GLU A 55 -3.785 3.806 10.698 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.043 4.159 8.275 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.058 4.067 11.136 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.304 4.809 9.739 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -1.189 6.747 10.646 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -2.620 6.247 9.768 1.00 0.00 H new ATOM 851 N VAL A 56 -1.289 1.754 8.360 1.00 0.00 N ATOM 852 CA VAL A 56 -0.934 0.309 8.423 1.00 0.00 C ATOM 853 C VAL A 56 0.481 0.091 7.872 1.00 0.00 C ATOM 854 O VAL A 56 0.880 0.733 6.919 1.00 0.00 O ATOM 855 CB VAL A 56 -1.936 -0.492 7.588 1.00 0.00 C ATOM 856 CG1 VAL A 56 -3.300 -0.484 8.282 1.00 0.00 C ATOM 857 CG2 VAL A 56 -2.069 0.148 6.206 1.00 0.00 C ATOM 0 H VAL A 56 -1.094 2.215 7.471 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.966 -0.025 9.460 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.585 -1.519 7.485 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -4.014 -1.054 7.688 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -3.208 -0.935 9.270 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -3.651 0.543 8.383 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -2.782 -0.420 5.609 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -2.421 1.174 6.313 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -1.098 0.147 5.710 1.00 0.00 H new ATOM 867 N PRO A 57 1.200 -0.813 8.495 1.00 0.00 N ATOM 868 CA PRO A 57 2.577 -1.146 8.096 1.00 0.00 C ATOM 869 C PRO A 57 2.568 -2.100 6.897 1.00 0.00 C ATOM 870 O PRO A 57 1.901 -3.118 6.904 1.00 0.00 O ATOM 871 CB PRO A 57 3.150 -1.844 9.332 1.00 0.00 C ATOM 872 CG PRO A 57 1.938 -2.383 10.129 1.00 0.00 C ATOM 873 CD PRO A 57 0.709 -1.582 9.659 1.00 0.00 C ATOM 0 HA PRO A 57 3.157 -0.274 7.793 1.00 0.00 H new ATOM 0 HB2 PRO A 57 3.818 -2.656 9.045 1.00 0.00 H new ATOM 0 HB3 PRO A 57 3.734 -1.149 9.935 1.00 0.00 H new ATOM 0 HG2 PRO A 57 1.798 -3.449 9.947 1.00 0.00 H new ATOM 0 HG3 PRO A 57 2.094 -2.260 11.201 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -0.114 -2.241 9.382 1.00 0.00 H new ATOM 0 HD3 PRO A 57 0.339 -0.923 10.444 1.00 0.00 H new ATOM 881 N VAL A 58 3.306 -1.784 5.871 1.00 0.00 N ATOM 882 CA VAL A 58 3.339 -2.679 4.680 1.00 0.00 C ATOM 883 C VAL A 58 4.777 -3.149 4.439 1.00 0.00 C ATOM 884 O VAL A 58 5.658 -2.935 5.251 1.00 0.00 O ATOM 885 CB VAL A 58 2.800 -1.928 3.448 1.00 0.00 C ATOM 886 CG1 VAL A 58 1.789 -0.872 3.896 1.00 0.00 C ATOM 887 CG2 VAL A 58 3.944 -1.237 2.693 1.00 0.00 C ATOM 0 H VAL A 58 3.886 -0.948 5.804 1.00 0.00 H new ATOM 0 HA VAL A 58 2.708 -3.550 4.856 1.00 0.00 H new ATOM 0 HB VAL A 58 2.321 -2.649 2.785 1.00 0.00 H new ATOM 0 HG11 VAL A 58 1.408 -0.340 3.024 1.00 0.00 H new ATOM 0 HG12 VAL A 58 0.963 -1.357 4.416 1.00 0.00 H new ATOM 0 HG13 VAL A 58 2.275 -0.165 4.568 1.00 0.00 H new ATOM 0 HG21 VAL A 58 3.543 -0.712 1.826 1.00 0.00 H new ATOM 0 HG22 VAL A 58 4.437 -0.523 3.353 1.00 0.00 H new ATOM 0 HG23 VAL A 58 4.666 -1.984 2.363 1.00 0.00 H new ATOM 897 N LYS A 59 5.021 -3.785 3.329 1.00 0.00 N ATOM 898 CA LYS A 59 6.398 -4.267 3.031 1.00 0.00 C ATOM 899 C LYS A 59 6.777 -3.866 1.603 1.00 0.00 C ATOM 900 O LYS A 59 5.963 -3.900 0.702 1.00 0.00 O ATOM 901 CB LYS A 59 6.445 -5.791 3.167 1.00 0.00 C ATOM 902 CG LYS A 59 7.189 -6.167 4.451 1.00 0.00 C ATOM 903 CD LYS A 59 7.914 -7.499 4.251 1.00 0.00 C ATOM 904 CE LYS A 59 9.209 -7.501 5.067 1.00 0.00 C ATOM 905 NZ LYS A 59 10.354 -7.862 4.184 1.00 0.00 N ATOM 0 H LYS A 59 4.325 -3.993 2.613 1.00 0.00 H new ATOM 0 HA LYS A 59 7.102 -3.820 3.733 1.00 0.00 H new ATOM 0 HB2 LYS A 59 5.433 -6.196 3.189 1.00 0.00 H new ATOM 0 HB3 LYS A 59 6.945 -6.228 2.303 1.00 0.00 H new ATOM 0 HG2 LYS A 59 7.905 -5.387 4.711 1.00 0.00 H new ATOM 0 HG3 LYS A 59 6.487 -6.244 5.281 1.00 0.00 H new ATOM 0 HD2 LYS A 59 7.274 -8.324 4.562 1.00 0.00 H new ATOM 0 HD3 LYS A 59 8.137 -7.649 3.195 1.00 0.00 H new ATOM 0 HE2 LYS A 59 9.373 -6.519 5.510 1.00 0.00 H new ATOM 0 HE3 LYS A 59 9.132 -8.212 5.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 11.234 -7.863 4.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 10.197 -8.808 3.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 10.431 -7.167 3.414 1.00 0.00 H new ATOM 919 N VAL A 60 8.009 -3.488 1.394 1.00 0.00 N ATOM 920 CA VAL A 60 8.448 -3.086 0.026 1.00 0.00 C ATOM 921 C VAL A 60 8.460 -4.317 -0.878 1.00 0.00 C ATOM 922 O VAL A 60 9.463 -4.989 -1.018 1.00 0.00 O ATOM 923 CB VAL A 60 9.854 -2.486 0.105 1.00 0.00 C ATOM 924 CG1 VAL A 60 10.472 -2.423 -1.294 1.00 0.00 C ATOM 925 CG2 VAL A 60 9.770 -1.073 0.685 1.00 0.00 C ATOM 0 H VAL A 60 8.732 -3.440 2.112 1.00 0.00 H new ATOM 0 HA VAL A 60 7.762 -2.344 -0.383 1.00 0.00 H new ATOM 0 HB VAL A 60 10.476 -3.111 0.745 1.00 0.00 H new ATOM 0 HG11 VAL A 60 11.472 -1.995 -1.231 1.00 0.00 H new ATOM 0 HG12 VAL A 60 10.533 -3.428 -1.710 1.00 0.00 H new ATOM 0 HG13 VAL A 60 9.851 -1.801 -1.938 1.00 0.00 H new ATOM 0 HG21 VAL A 60 10.770 -0.643 0.742 1.00 0.00 H new ATOM 0 HG22 VAL A 60 9.145 -0.453 0.043 1.00 0.00 H new ATOM 0 HG23 VAL A 60 9.335 -1.115 1.684 1.00 0.00 H new ATOM 935 N LEU A 61 7.351 -4.619 -1.491 1.00 0.00 N ATOM 936 CA LEU A 61 7.295 -5.803 -2.381 1.00 0.00 C ATOM 937 C LEU A 61 8.370 -5.677 -3.462 1.00 0.00 C ATOM 938 O LEU A 61 8.891 -6.662 -3.946 1.00 0.00 O ATOM 939 CB LEU A 61 5.911 -5.888 -3.028 1.00 0.00 C ATOM 940 CG LEU A 61 5.334 -7.287 -2.811 1.00 0.00 C ATOM 941 CD1 LEU A 61 3.919 -7.351 -3.389 1.00 0.00 C ATOM 942 CD2 LEU A 61 6.220 -8.318 -3.512 1.00 0.00 C ATOM 0 H LEU A 61 6.480 -4.094 -1.412 1.00 0.00 H new ATOM 0 HA LEU A 61 7.475 -6.708 -1.801 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.249 -5.138 -2.595 1.00 0.00 H new ATOM 0 HB3 LEU A 61 5.982 -5.673 -4.094 1.00 0.00 H new ATOM 0 HG LEU A 61 5.299 -7.504 -1.743 1.00 0.00 H new ATOM 0 HD11 LEU A 61 3.508 -8.348 -3.234 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.288 -6.617 -2.889 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.952 -7.134 -4.457 1.00 0.00 H new ATOM 0 HD21 LEU A 61 5.809 -9.316 -3.358 1.00 0.00 H new ATOM 0 HD22 LEU A 61 6.255 -8.101 -4.580 1.00 0.00 H new ATOM 0 HD23 LEU A 61 7.228 -8.273 -3.099 1.00 0.00 H new ATOM 954 N GLU A 62 8.715 -4.470 -3.836 1.00 0.00 N ATOM 955 CA GLU A 62 9.765 -4.282 -4.882 1.00 0.00 C ATOM 956 C GLU A 62 9.669 -2.877 -5.484 1.00 0.00 C ATOM 957 O GLU A 62 8.679 -2.185 -5.335 1.00 0.00 O ATOM 958 CB GLU A 62 9.576 -5.313 -5.999 1.00 0.00 C ATOM 959 CG GLU A 62 10.728 -6.320 -5.966 1.00 0.00 C ATOM 960 CD GLU A 62 11.019 -6.808 -7.386 1.00 0.00 C ATOM 961 OE1 GLU A 62 10.125 -7.378 -7.990 1.00 0.00 O ATOM 962 OE2 GLU A 62 12.130 -6.603 -7.846 1.00 0.00 O ATOM 0 H GLU A 62 8.316 -3.609 -3.463 1.00 0.00 H new ATOM 0 HA GLU A 62 10.743 -4.412 -4.418 1.00 0.00 H new ATOM 0 HB2 GLU A 62 8.624 -5.829 -5.874 1.00 0.00 H new ATOM 0 HB3 GLU A 62 9.543 -4.814 -6.967 1.00 0.00 H new ATOM 0 HG2 GLU A 62 11.618 -5.857 -5.540 1.00 0.00 H new ATOM 0 HG3 GLU A 62 10.470 -7.164 -5.326 1.00 0.00 H new ATOM 969 N VAL A 63 10.697 -2.458 -6.172 1.00 0.00 N ATOM 970 CA VAL A 63 10.683 -1.108 -6.799 1.00 0.00 C ATOM 971 C VAL A 63 11.542 -1.128 -8.066 1.00 0.00 C ATOM 972 O VAL A 63 11.126 -0.681 -9.116 1.00 0.00 O ATOM 973 CB VAL A 63 11.244 -0.082 -5.815 1.00 0.00 C ATOM 974 CG1 VAL A 63 11.494 1.239 -6.541 1.00 0.00 C ATOM 975 CG2 VAL A 63 10.232 0.136 -4.691 1.00 0.00 C ATOM 0 H VAL A 63 11.549 -2.997 -6.326 1.00 0.00 H new ATOM 0 HA VAL A 63 9.660 -0.837 -7.058 1.00 0.00 H new ATOM 0 HB VAL A 63 12.183 -0.446 -5.399 1.00 0.00 H new ATOM 0 HG11 VAL A 63 11.894 1.970 -5.839 1.00 0.00 H new ATOM 0 HG12 VAL A 63 12.210 1.081 -7.348 1.00 0.00 H new ATOM 0 HG13 VAL A 63 10.556 1.609 -6.956 1.00 0.00 H new ATOM 0 HG21 VAL A 63 10.625 0.867 -3.984 1.00 0.00 H new ATOM 0 HG22 VAL A 63 9.296 0.504 -5.111 1.00 0.00 H new ATOM 0 HG23 VAL A 63 10.052 -0.807 -4.175 1.00 0.00 H new ATOM 985 N ASP A 64 12.739 -1.644 -7.977 1.00 0.00 N ATOM 986 CA ASP A 64 13.621 -1.691 -9.178 1.00 0.00 C ATOM 987 C ASP A 64 12.811 -2.162 -10.388 1.00 0.00 C ATOM 988 O ASP A 64 12.664 -1.449 -11.361 1.00 0.00 O ATOM 989 CB ASP A 64 14.787 -2.655 -8.932 1.00 0.00 C ATOM 990 CG ASP A 64 14.306 -3.856 -8.112 1.00 0.00 C ATOM 991 OD1 ASP A 64 14.213 -3.724 -6.904 1.00 0.00 O ATOM 992 OD2 ASP A 64 14.046 -4.888 -8.708 1.00 0.00 O ATOM 0 H ASP A 64 13.143 -2.034 -7.126 1.00 0.00 H new ATOM 0 HA ASP A 64 14.018 -0.694 -9.371 1.00 0.00 H new ATOM 0 HB2 ASP A 64 15.197 -2.994 -9.883 1.00 0.00 H new ATOM 0 HB3 ASP A 64 15.590 -2.141 -8.404 1.00 0.00 H new ATOM 997 N ARG A 65 12.276 -3.351 -10.337 1.00 0.00 N ATOM 998 CA ARG A 65 11.469 -3.850 -11.486 1.00 0.00 C ATOM 999 C ARG A 65 10.296 -2.897 -11.711 1.00 0.00 C ATOM 1000 O ARG A 65 10.085 -2.398 -12.798 1.00 0.00 O ATOM 1001 CB ARG A 65 10.938 -5.251 -11.171 1.00 0.00 C ATOM 1002 CG ARG A 65 10.500 -5.934 -12.469 1.00 0.00 C ATOM 1003 CD ARG A 65 9.011 -6.276 -12.391 1.00 0.00 C ATOM 1004 NE ARG A 65 8.313 -5.730 -13.590 1.00 0.00 N ATOM 1005 CZ ARG A 65 8.496 -6.279 -14.760 1.00 0.00 C ATOM 1006 NH1 ARG A 65 8.412 -7.576 -14.892 1.00 0.00 N ATOM 1007 NH2 ARG A 65 8.764 -5.534 -15.798 1.00 0.00 N ATOM 0 H ARG A 65 12.362 -3.997 -9.552 1.00 0.00 H new ATOM 0 HA ARG A 65 12.088 -3.897 -12.382 1.00 0.00 H new ATOM 0 HB2 ARG A 65 11.710 -5.842 -10.679 1.00 0.00 H new ATOM 0 HB3 ARG A 65 10.098 -5.186 -10.480 1.00 0.00 H new ATOM 0 HG2 ARG A 65 10.689 -5.278 -13.319 1.00 0.00 H new ATOM 0 HG3 ARG A 65 11.084 -6.840 -12.630 1.00 0.00 H new ATOM 0 HD2 ARG A 65 8.877 -7.357 -12.340 1.00 0.00 H new ATOM 0 HD3 ARG A 65 8.578 -5.858 -11.483 1.00 0.00 H new ATOM 0 HE ARG A 65 7.692 -4.927 -13.496 1.00 0.00 H new ATOM 0 HH11 ARG A 65 8.204 -8.159 -14.081 1.00 0.00 H new ATOM 0 HH12 ARG A 65 8.555 -8.006 -15.806 1.00 0.00 H new ATOM 0 HH21 ARG A 65 8.831 -4.521 -15.695 1.00 0.00 H new ATOM 0 HH22 ARG A 65 8.907 -5.965 -16.712 1.00 0.00 H new ATOM 1021 N GLN A 66 9.541 -2.632 -10.681 1.00 0.00 N ATOM 1022 CA GLN A 66 8.390 -1.701 -10.817 1.00 0.00 C ATOM 1023 C GLN A 66 8.724 -0.397 -10.092 1.00 0.00 C ATOM 1024 O GLN A 66 8.757 -0.342 -8.879 1.00 0.00 O ATOM 1025 CB GLN A 66 7.146 -2.332 -10.187 1.00 0.00 C ATOM 1026 CG GLN A 66 6.199 -2.805 -11.291 1.00 0.00 C ATOM 1027 CD GLN A 66 6.045 -4.326 -11.214 1.00 0.00 C ATOM 1028 OE1 GLN A 66 6.783 -4.987 -10.510 1.00 0.00 O ATOM 1029 NE2 GLN A 66 5.113 -4.912 -11.916 1.00 0.00 N ATOM 0 H GLN A 66 9.674 -3.023 -9.748 1.00 0.00 H new ATOM 0 HA GLN A 66 8.196 -1.501 -11.871 1.00 0.00 H new ATOM 0 HB2 GLN A 66 7.432 -3.172 -9.554 1.00 0.00 H new ATOM 0 HB3 GLN A 66 6.642 -1.608 -9.547 1.00 0.00 H new ATOM 0 HG2 GLN A 66 5.227 -2.324 -11.182 1.00 0.00 H new ATOM 0 HG3 GLN A 66 6.589 -2.517 -12.267 1.00 0.00 H new ATOM 0 HE21 GLN A 66 4.494 -4.357 -12.507 1.00 0.00 H new ATOM 0 HE22 GLN A 66 5.004 -5.925 -11.874 1.00 0.00 H new ATOM 1038 N GLY A 67 8.985 0.652 -10.824 1.00 0.00 N ATOM 1039 CA GLY A 67 9.332 1.948 -10.174 1.00 0.00 C ATOM 1040 C GLY A 67 8.079 2.596 -9.578 1.00 0.00 C ATOM 1041 O GLY A 67 8.131 3.691 -9.056 1.00 0.00 O ATOM 0 H GLY A 67 8.973 0.668 -11.844 1.00 0.00 H new ATOM 0 HA2 GLY A 67 10.072 1.783 -9.391 1.00 0.00 H new ATOM 0 HA3 GLY A 67 9.785 2.619 -10.904 1.00 0.00 H new ATOM 1045 N ARG A 68 6.954 1.938 -9.647 1.00 0.00 N ATOM 1046 CA ARG A 68 5.717 2.536 -9.076 1.00 0.00 C ATOM 1047 C ARG A 68 5.587 2.127 -7.612 1.00 0.00 C ATOM 1048 O ARG A 68 4.516 1.811 -7.137 1.00 0.00 O ATOM 1049 CB ARG A 68 4.496 2.043 -9.857 1.00 0.00 C ATOM 1050 CG ARG A 68 4.347 0.533 -9.666 1.00 0.00 C ATOM 1051 CD ARG A 68 2.872 0.187 -9.450 1.00 0.00 C ATOM 1052 NE ARG A 68 2.274 -0.258 -10.740 1.00 0.00 N ATOM 1053 CZ ARG A 68 2.091 0.601 -11.705 1.00 0.00 C ATOM 1054 NH1 ARG A 68 3.051 0.838 -12.558 1.00 0.00 N ATOM 1055 NH2 ARG A 68 0.950 1.225 -11.817 1.00 0.00 N ATOM 0 H ARG A 68 6.839 1.018 -10.072 1.00 0.00 H new ATOM 0 HA ARG A 68 5.773 3.622 -9.148 1.00 0.00 H new ATOM 0 HB2 ARG A 68 3.598 2.555 -9.511 1.00 0.00 H new ATOM 0 HB3 ARG A 68 4.609 2.278 -10.916 1.00 0.00 H new ATOM 0 HG2 ARG A 68 4.731 0.006 -10.540 1.00 0.00 H new ATOM 0 HG3 ARG A 68 4.937 0.204 -8.811 1.00 0.00 H new ATOM 0 HD2 ARG A 68 2.778 -0.600 -8.702 1.00 0.00 H new ATOM 0 HD3 ARG A 68 2.335 1.056 -9.068 1.00 0.00 H new ATOM 0 HE ARG A 68 2.008 -1.234 -10.869 1.00 0.00 H new ATOM 0 HH11 ARG A 68 3.943 0.352 -12.470 1.00 0.00 H new ATOM 0 HH12 ARG A 68 2.909 1.509 -13.313 1.00 0.00 H new ATOM 0 HH21 ARG A 68 0.201 1.041 -11.150 1.00 0.00 H new ATOM 0 HH22 ARG A 68 0.808 1.896 -12.572 1.00 0.00 H new ATOM 1069 N ILE A 69 6.678 2.146 -6.897 1.00 0.00 N ATOM 1070 CA ILE A 69 6.647 1.773 -5.453 1.00 0.00 C ATOM 1071 C ILE A 69 5.701 0.587 -5.235 1.00 0.00 C ATOM 1072 O ILE A 69 4.508 0.757 -5.077 1.00 0.00 O ATOM 1073 CB ILE A 69 6.160 2.971 -4.639 1.00 0.00 C ATOM 1074 CG1 ILE A 69 7.212 4.081 -4.692 1.00 0.00 C ATOM 1075 CG2 ILE A 69 5.937 2.549 -3.186 1.00 0.00 C ATOM 1076 CD1 ILE A 69 6.721 5.292 -3.895 1.00 0.00 C ATOM 0 H ILE A 69 7.598 2.406 -7.254 1.00 0.00 H new ATOM 0 HA ILE A 69 7.649 1.488 -5.132 1.00 0.00 H new ATOM 0 HB ILE A 69 5.222 3.336 -5.056 1.00 0.00 H new ATOM 0 HG12 ILE A 69 8.156 3.721 -4.282 1.00 0.00 H new ATOM 0 HG13 ILE A 69 7.402 4.367 -5.727 1.00 0.00 H new ATOM 0 HG21 ILE A 69 5.590 3.405 -2.608 1.00 0.00 H new ATOM 0 HG22 ILE A 69 5.188 1.758 -3.148 1.00 0.00 H new ATOM 0 HG23 ILE A 69 6.874 2.183 -2.766 1.00 0.00 H new ATOM 0 HD11 ILE A 69 7.471 6.082 -3.934 1.00 0.00 H new ATOM 0 HD12 ILE A 69 5.788 5.657 -4.325 1.00 0.00 H new ATOM 0 HD13 ILE A 69 6.553 5.001 -2.858 1.00 0.00 H new ATOM 1088 N ARG A 70 6.217 -0.613 -5.224 1.00 0.00 N ATOM 1089 CA ARG A 70 5.333 -1.795 -5.017 1.00 0.00 C ATOM 1090 C ARG A 70 5.220 -2.104 -3.523 1.00 0.00 C ATOM 1091 O ARG A 70 5.861 -3.001 -3.013 1.00 0.00 O ATOM 1092 CB ARG A 70 5.915 -3.008 -5.744 1.00 0.00 C ATOM 1093 CG ARG A 70 6.067 -2.688 -7.232 1.00 0.00 C ATOM 1094 CD ARG A 70 4.702 -2.780 -7.917 1.00 0.00 C ATOM 1095 NE ARG A 70 4.589 -4.087 -8.622 1.00 0.00 N ATOM 1096 CZ ARG A 70 3.418 -4.535 -8.979 1.00 0.00 C ATOM 1097 NH1 ARG A 70 2.503 -3.707 -9.405 1.00 0.00 N ATOM 1098 NH2 ARG A 70 3.162 -5.812 -8.911 1.00 0.00 N ATOM 0 H ARG A 70 7.207 -0.825 -5.349 1.00 0.00 H new ATOM 0 HA ARG A 70 4.343 -1.573 -5.416 1.00 0.00 H new ATOM 0 HB2 ARG A 70 6.883 -3.271 -5.317 1.00 0.00 H new ATOM 0 HB3 ARG A 70 5.263 -3.872 -5.612 1.00 0.00 H new ATOM 0 HG2 ARG A 70 6.483 -1.688 -7.359 1.00 0.00 H new ATOM 0 HG3 ARG A 70 6.766 -3.385 -7.695 1.00 0.00 H new ATOM 0 HD2 ARG A 70 3.905 -2.682 -7.179 1.00 0.00 H new ATOM 0 HD3 ARG A 70 4.583 -1.961 -8.626 1.00 0.00 H new ATOM 0 HE ARG A 70 5.427 -4.631 -8.825 1.00 0.00 H new ATOM 0 HH11 ARG A 70 2.704 -2.708 -9.459 1.00 0.00 H new ATOM 0 HH12 ARG A 70 1.587 -4.059 -9.684 1.00 0.00 H new ATOM 0 HH21 ARG A 70 3.878 -6.459 -8.579 1.00 0.00 H new ATOM 0 HH22 ARG A 70 2.246 -6.164 -9.190 1.00 0.00 H new ATOM 1112 N LEU A 71 4.399 -1.375 -2.819 1.00 0.00 N ATOM 1113 CA LEU A 71 4.237 -1.637 -1.362 1.00 0.00 C ATOM 1114 C LEU A 71 3.093 -2.633 -1.165 1.00 0.00 C ATOM 1115 O LEU A 71 2.145 -2.658 -1.925 1.00 0.00 O ATOM 1116 CB LEU A 71 3.914 -0.329 -0.635 1.00 0.00 C ATOM 1117 CG LEU A 71 5.159 0.559 -0.597 1.00 0.00 C ATOM 1118 CD1 LEU A 71 4.932 1.718 0.376 1.00 0.00 C ATOM 1119 CD2 LEU A 71 6.364 -0.264 -0.133 1.00 0.00 C ATOM 0 H LEU A 71 3.834 -0.610 -3.189 1.00 0.00 H new ATOM 0 HA LEU A 71 5.160 -2.049 -0.955 1.00 0.00 H new ATOM 0 HB2 LEU A 71 3.101 0.190 -1.143 1.00 0.00 H new ATOM 0 HB3 LEU A 71 3.574 -0.539 0.379 1.00 0.00 H new ATOM 0 HG LEU A 71 5.350 0.953 -1.595 1.00 0.00 H new ATOM 0 HD11 LEU A 71 5.820 2.350 0.402 1.00 0.00 H new ATOM 0 HD12 LEU A 71 4.076 2.307 0.046 1.00 0.00 H new ATOM 0 HD13 LEU A 71 4.738 1.323 1.373 1.00 0.00 H new ATOM 0 HD21 LEU A 71 7.250 0.371 -0.107 1.00 0.00 H new ATOM 0 HD22 LEU A 71 6.172 -0.660 0.864 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.529 -1.089 -0.826 1.00 0.00 H new ATOM 1131 N SER A 72 3.177 -3.466 -0.165 1.00 0.00 N ATOM 1132 CA SER A 72 2.093 -4.464 0.054 1.00 0.00 C ATOM 1133 C SER A 72 1.696 -4.501 1.531 1.00 0.00 C ATOM 1134 O SER A 72 2.486 -4.846 2.387 1.00 0.00 O ATOM 1135 CB SER A 72 2.597 -5.839 -0.370 1.00 0.00 C ATOM 1136 OG SER A 72 1.992 -6.202 -1.604 1.00 0.00 O ATOM 0 H SER A 72 3.944 -3.499 0.506 1.00 0.00 H new ATOM 0 HA SER A 72 1.220 -4.184 -0.536 1.00 0.00 H new ATOM 0 HB2 SER A 72 3.682 -5.825 -0.474 1.00 0.00 H new ATOM 0 HB3 SER A 72 2.360 -6.578 0.396 1.00 0.00 H new ATOM 0 HG SER A 72 1.906 -7.177 -1.652 1.00 0.00 H new ATOM 1142 N ILE A 73 0.473 -4.158 1.835 1.00 0.00 N ATOM 1143 CA ILE A 73 0.023 -4.180 3.256 1.00 0.00 C ATOM 1144 C ILE A 73 0.523 -5.473 3.918 1.00 0.00 C ATOM 1145 O ILE A 73 0.385 -6.552 3.375 1.00 0.00 O ATOM 1146 CB ILE A 73 -1.519 -4.075 3.296 1.00 0.00 C ATOM 1147 CG1 ILE A 73 -1.907 -2.809 4.063 1.00 0.00 C ATOM 1148 CG2 ILE A 73 -2.153 -5.294 3.983 1.00 0.00 C ATOM 1149 CD1 ILE A 73 -3.421 -2.604 3.982 1.00 0.00 C ATOM 0 H ILE A 73 -0.233 -3.864 1.161 1.00 0.00 H new ATOM 0 HA ILE A 73 0.435 -3.335 3.808 1.00 0.00 H new ATOM 0 HB ILE A 73 -1.887 -4.037 2.271 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -1.596 -2.893 5.104 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -1.390 -1.945 3.645 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -3.237 -5.184 3.992 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -1.885 -6.199 3.438 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -1.787 -5.365 5.007 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -3.696 -1.702 4.529 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -3.719 -2.501 2.939 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -3.928 -3.463 4.421 1.00 0.00 H new ATOM 1161 N LYS A 74 1.112 -5.370 5.079 1.00 0.00 N ATOM 1162 CA LYS A 74 1.630 -6.590 5.762 1.00 0.00 C ATOM 1163 C LYS A 74 0.467 -7.434 6.286 1.00 0.00 C ATOM 1164 O LYS A 74 -0.687 -7.068 6.171 1.00 0.00 O ATOM 1165 CB LYS A 74 2.523 -6.180 6.932 1.00 0.00 C ATOM 1166 CG LYS A 74 3.894 -6.839 6.779 1.00 0.00 C ATOM 1167 CD LYS A 74 4.386 -7.312 8.148 1.00 0.00 C ATOM 1168 CE LYS A 74 5.150 -8.628 7.989 1.00 0.00 C ATOM 1169 NZ LYS A 74 4.698 -9.592 9.032 1.00 0.00 N ATOM 0 H LYS A 74 1.257 -4.495 5.583 1.00 0.00 H new ATOM 0 HA LYS A 74 2.205 -7.178 5.047 1.00 0.00 H new ATOM 0 HB2 LYS A 74 2.630 -5.096 6.960 1.00 0.00 H new ATOM 0 HB3 LYS A 74 2.066 -6.480 7.875 1.00 0.00 H new ATOM 0 HG2 LYS A 74 3.829 -7.683 6.092 1.00 0.00 H new ATOM 0 HG3 LYS A 74 4.604 -6.132 6.350 1.00 0.00 H new ATOM 0 HD2 LYS A 74 5.032 -6.556 8.595 1.00 0.00 H new ATOM 0 HD3 LYS A 74 3.541 -7.449 8.823 1.00 0.00 H new ATOM 0 HE2 LYS A 74 4.979 -9.043 6.996 1.00 0.00 H new ATOM 0 HE3 LYS A 74 6.222 -8.452 8.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 5.216 -10.487 8.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 4.883 -9.195 9.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 3.679 -9.767 8.924 1.00 0.00 H new ATOM 1183 N GLU A 75 0.769 -8.567 6.863 1.00 0.00 N ATOM 1184 CA GLU A 75 -0.305 -9.448 7.401 1.00 0.00 C ATOM 1185 C GLU A 75 -1.250 -8.626 8.280 1.00 0.00 C ATOM 1186 O GLU A 75 -2.456 -8.757 8.203 1.00 0.00 O ATOM 1187 CB GLU A 75 0.329 -10.560 8.239 1.00 0.00 C ATOM 1188 CG GLU A 75 -0.770 -11.411 8.879 1.00 0.00 C ATOM 1189 CD GLU A 75 -1.509 -12.189 7.790 1.00 0.00 C ATOM 1190 OE1 GLU A 75 -2.321 -11.587 7.107 1.00 0.00 O ATOM 1191 OE2 GLU A 75 -1.249 -13.373 7.656 1.00 0.00 O ATOM 0 H GLU A 75 1.718 -8.920 6.985 1.00 0.00 H new ATOM 0 HA GLU A 75 -0.867 -9.884 6.575 1.00 0.00 H new ATOM 0 HB2 GLU A 75 0.967 -11.183 7.612 1.00 0.00 H new ATOM 0 HB3 GLU A 75 0.965 -10.129 9.012 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -0.336 -12.101 9.603 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -1.467 -10.774 9.423 1.00 0.00 H new ATOM 1198 N ALA A 76 -0.712 -7.781 9.117 1.00 0.00 N ATOM 1199 CA ALA A 76 -1.581 -6.955 10.001 1.00 0.00 C ATOM 1200 C ALA A 76 -2.547 -7.868 10.760 1.00 0.00 C ATOM 1201 O ALA A 76 -3.694 -7.951 10.353 1.00 0.00 O ATOM 1202 CB ALA A 76 -2.378 -5.965 9.150 1.00 0.00 C ATOM 1203 OXT ALA A 76 -2.122 -8.468 11.733 1.00 0.00 O ATOM 0 H ALA A 76 0.290 -7.627 9.226 1.00 0.00 H new ATOM 0 HA ALA A 76 -0.963 -6.407 10.712 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -3.014 -5.360 9.796 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -1.691 -5.316 8.607 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -2.998 -6.512 8.440 1.00 0.00 H new TER 1209 ALA A 76