USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 586 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 39 HIS : no HE2:sc= -4.28! C(o=-5.8!,f=-4.7!) USER MOD Set 1.2: A 43 ASN : amide:sc= -1.5 K(o=-5.8,f=-3.5) USER MOD Set 2.1: A 28 LYS NZ :NH3+ -163:sc= 1.29 (180deg=0) USER MOD Set 2.2: A 59 TYR OH : rot 180:sc= 1.05 USER MOD Single : A 1 GLY N :NH3+ 134:sc= 0.0431 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 MET CE :methyl 162:sc= -0.0313 (180deg=-0.389) USER MOD Single : A 8 LYS NZ :NH3+ 170:sc=-0.00499 (180deg=-0.104) USER MOD Single : A 10 THR OG1 : rot 180:sc= -0.697 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 30:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot -73:sc= 0.757 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -118:sc= 0.121 (180deg=-0.0496) USER MOD Single : A 34 CYS SG : rot 160:sc= -2.09! USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc=0.000556 USER MOD Single : A 51 LYS NZ :NH3+ 167:sc= -0.0208 (180deg=-0.21) USER MOD Single : A 53 LYS NZ :NH3+ -168:sc= -0.0241 (180deg=-0.18) USER MOD Single : A 56 SER OG : rot -9:sc= 0.469 USER MOD Single : A 63 SER OG : rot 147:sc= 0.758 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 TYR OH : rot 180:sc= 0.404 USER MOD Single : A 73 GLN : amide:sc= -0.0402 K(o=-0.04,f=-0.61) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 10.380 4.834 -4.025 1.00 0.00 N ATOM 2 CA GLY A 1 9.368 5.020 -5.081 1.00 0.00 C ATOM 3 C GLY A 1 8.532 3.786 -5.279 1.00 0.00 C ATOM 4 O GLY A 1 9.006 2.669 -5.070 1.00 0.00 O ATOM 0 H1 GLY A 1 11.298 5.193 -4.357 1.00 0.00 H new ATOM 0 H2 GLY A 1 10.092 5.355 -3.172 1.00 0.00 H new ATOM 0 H3 GLY A 1 10.465 3.822 -3.800 1.00 0.00 H new ATOM 0 HA2 GLY A 1 8.722 5.859 -4.821 1.00 0.00 H new ATOM 0 HA3 GLY A 1 9.863 5.277 -6.017 1.00 0.00 H new ATOM 10 N GLU A 2 7.287 3.976 -5.670 1.00 0.00 N ATOM 11 CA GLU A 2 6.387 2.865 -5.899 1.00 0.00 C ATOM 12 C GLU A 2 6.276 2.536 -7.371 1.00 0.00 C ATOM 13 O GLU A 2 6.207 3.430 -8.219 1.00 0.00 O ATOM 14 CB GLU A 2 5.006 3.158 -5.317 1.00 0.00 C ATOM 15 CG GLU A 2 4.989 3.176 -3.806 1.00 0.00 C ATOM 16 CD GLU A 2 5.472 1.867 -3.231 1.00 0.00 C ATOM 17 OE1 GLU A 2 4.913 0.811 -3.598 1.00 0.00 O ATOM 18 OE2 GLU A 2 6.427 1.879 -2.442 1.00 0.00 O ATOM 0 H GLU A 2 6.875 4.894 -5.836 1.00 0.00 H new ATOM 0 HA GLU A 2 6.804 1.996 -5.390 1.00 0.00 H new ATOM 0 HB2 GLU A 2 4.659 4.122 -5.689 1.00 0.00 H new ATOM 0 HB3 GLU A 2 4.302 2.406 -5.673 1.00 0.00 H new ATOM 0 HG2 GLU A 2 5.619 3.988 -3.444 1.00 0.00 H new ATOM 0 HG3 GLU A 2 3.977 3.377 -3.455 1.00 0.00 H new ATOM 25 N PHE A 3 6.266 1.260 -7.670 1.00 0.00 N ATOM 26 CA PHE A 3 6.146 0.793 -9.030 1.00 0.00 C ATOM 27 C PHE A 3 4.988 -0.172 -9.138 1.00 0.00 C ATOM 28 O PHE A 3 4.699 -0.919 -8.194 1.00 0.00 O ATOM 29 CB PHE A 3 7.445 0.125 -9.494 1.00 0.00 C ATOM 30 CG PHE A 3 8.626 1.053 -9.503 1.00 0.00 C ATOM 31 CD1 PHE A 3 9.492 1.109 -8.421 1.00 0.00 C ATOM 32 CD2 PHE A 3 8.866 1.875 -10.591 1.00 0.00 C ATOM 33 CE1 PHE A 3 10.572 1.967 -8.428 1.00 0.00 C ATOM 34 CE2 PHE A 3 9.944 2.734 -10.603 1.00 0.00 C ATOM 35 CZ PHE A 3 10.800 2.780 -9.520 1.00 0.00 C ATOM 0 H PHE A 3 6.341 0.515 -6.977 1.00 0.00 H new ATOM 0 HA PHE A 3 5.958 1.649 -9.678 1.00 0.00 H new ATOM 0 HB2 PHE A 3 7.662 -0.721 -8.842 1.00 0.00 H new ATOM 0 HB3 PHE A 3 7.300 -0.275 -10.497 1.00 0.00 H new ATOM 0 HD1 PHE A 3 9.319 0.474 -7.564 1.00 0.00 H new ATOM 0 HD2 PHE A 3 8.200 1.843 -11.441 1.00 0.00 H new ATOM 0 HE1 PHE A 3 11.239 2.003 -7.579 1.00 0.00 H new ATOM 0 HE2 PHE A 3 10.119 3.370 -11.458 1.00 0.00 H new ATOM 0 HZ PHE A 3 11.646 3.451 -9.528 1.00 0.00 H new ATOM 45 N GLY A 4 4.321 -0.147 -10.270 1.00 0.00 N ATOM 46 CA GLY A 4 3.191 -1.011 -10.476 1.00 0.00 C ATOM 47 C GLY A 4 3.601 -2.432 -10.774 1.00 0.00 C ATOM 48 O GLY A 4 4.784 -2.724 -10.967 1.00 0.00 O ATOM 0 H GLY A 4 4.544 0.462 -11.057 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.559 -0.997 -9.588 1.00 0.00 H new ATOM 0 HA3 GLY A 4 2.590 -0.628 -11.301 1.00 0.00 H new ATOM 52 N SER A 5 2.639 -3.313 -10.794 1.00 0.00 N ATOM 53 CA SER A 5 2.877 -4.704 -11.082 1.00 0.00 C ATOM 54 C SER A 5 1.796 -5.224 -12.013 1.00 0.00 C ATOM 55 O SER A 5 0.757 -4.576 -12.181 1.00 0.00 O ATOM 56 CB SER A 5 2.911 -5.510 -9.787 1.00 0.00 C ATOM 57 OG SER A 5 3.925 -5.023 -8.920 1.00 0.00 O ATOM 0 H SER A 5 1.662 -3.087 -10.610 1.00 0.00 H new ATOM 0 HA SER A 5 3.843 -4.811 -11.574 1.00 0.00 H new ATOM 0 HB2 SER A 5 1.942 -5.452 -9.291 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.091 -6.561 -10.012 1.00 0.00 H new ATOM 0 HG SER A 5 3.931 -5.551 -8.094 1.00 0.00 H new ATOM 63 N MET A 6 2.043 -6.371 -12.632 1.00 0.00 N ATOM 64 CA MET A 6 1.084 -6.978 -13.555 1.00 0.00 C ATOM 65 C MET A 6 -0.278 -7.174 -12.886 1.00 0.00 C ATOM 66 O MET A 6 -1.320 -6.976 -13.509 1.00 0.00 O ATOM 67 CB MET A 6 1.624 -8.322 -14.068 1.00 0.00 C ATOM 68 CG MET A 6 1.804 -9.381 -12.985 1.00 0.00 C ATOM 69 SD MET A 6 2.575 -10.887 -13.598 1.00 0.00 S ATOM 70 CE MET A 6 4.247 -10.310 -13.875 1.00 0.00 C ATOM 0 H MET A 6 2.904 -6.905 -12.513 1.00 0.00 H new ATOM 0 HA MET A 6 0.950 -6.302 -14.399 1.00 0.00 H new ATOM 0 HB2 MET A 6 0.944 -8.708 -14.827 1.00 0.00 H new ATOM 0 HB3 MET A 6 2.583 -8.152 -14.557 1.00 0.00 H new ATOM 0 HG2 MET A 6 2.412 -8.970 -12.179 1.00 0.00 H new ATOM 0 HG3 MET A 6 0.831 -9.625 -12.557 1.00 0.00 H new ATOM 0 HE1 MET A 6 4.920 -11.165 -13.945 1.00 0.00 H new ATOM 0 HE2 MET A 6 4.286 -9.741 -14.804 1.00 0.00 H new ATOM 0 HE3 MET A 6 4.554 -9.673 -13.046 1.00 0.00 H new ATOM 80 N VAL A 7 -0.252 -7.517 -11.610 1.00 0.00 N ATOM 81 CA VAL A 7 -1.459 -7.738 -10.836 1.00 0.00 C ATOM 82 C VAL A 7 -1.283 -7.127 -9.460 1.00 0.00 C ATOM 83 O VAL A 7 -0.268 -7.363 -8.802 1.00 0.00 O ATOM 84 CB VAL A 7 -1.792 -9.252 -10.685 1.00 0.00 C ATOM 85 CG1 VAL A 7 -3.026 -9.452 -9.812 1.00 0.00 C ATOM 86 CG2 VAL A 7 -2.013 -9.894 -12.046 1.00 0.00 C ATOM 0 H VAL A 7 0.610 -7.650 -11.081 1.00 0.00 H new ATOM 0 HA VAL A 7 -2.287 -7.268 -11.367 1.00 0.00 H new ATOM 0 HB VAL A 7 -0.941 -9.733 -10.203 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -3.239 -10.517 -9.721 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -2.844 -9.033 -8.823 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -3.879 -8.949 -10.267 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -2.244 -10.951 -11.916 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -2.843 -9.400 -12.551 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -1.110 -9.791 -12.648 1.00 0.00 H new ATOM 96 N LYS A 8 -2.239 -6.342 -9.024 1.00 0.00 N ATOM 97 CA LYS A 8 -2.158 -5.768 -7.702 1.00 0.00 C ATOM 98 C LYS A 8 -2.672 -6.791 -6.711 1.00 0.00 C ATOM 99 O LYS A 8 -3.879 -6.998 -6.595 1.00 0.00 O ATOM 100 CB LYS A 8 -3.011 -4.499 -7.625 1.00 0.00 C ATOM 101 CG LYS A 8 -2.599 -3.409 -8.604 1.00 0.00 C ATOM 102 CD LYS A 8 -3.571 -2.232 -8.579 1.00 0.00 C ATOM 103 CE LYS A 8 -3.556 -1.501 -7.239 1.00 0.00 C ATOM 104 NZ LYS A 8 -2.253 -0.837 -6.979 1.00 0.00 N ATOM 0 H LYS A 8 -3.071 -6.088 -9.556 1.00 0.00 H new ATOM 0 HA LYS A 8 -1.126 -5.503 -7.473 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -4.052 -4.763 -7.810 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -2.958 -4.100 -6.612 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -1.597 -3.059 -8.358 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -2.554 -3.823 -9.611 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -3.314 -1.533 -9.375 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -4.580 -2.591 -8.784 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -4.351 -0.756 -7.224 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -3.768 -2.209 -6.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -2.339 -0.217 -6.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -1.526 -1.558 -6.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -1.981 -0.270 -7.807 1.00 0.00 H new ATOM 118 N GLU A 9 -1.762 -7.462 -6.032 1.00 0.00 N ATOM 119 CA GLU A 9 -2.132 -8.480 -5.074 1.00 0.00 C ATOM 120 C GLU A 9 -1.319 -8.335 -3.787 1.00 0.00 C ATOM 121 O GLU A 9 -0.106 -8.106 -3.839 1.00 0.00 O ATOM 122 CB GLU A 9 -1.845 -9.840 -5.711 1.00 0.00 C ATOM 123 CG GLU A 9 -2.190 -11.045 -4.865 1.00 0.00 C ATOM 124 CD GLU A 9 -1.760 -12.331 -5.532 1.00 0.00 C ATOM 125 OE1 GLU A 9 -2.153 -12.565 -6.693 1.00 0.00 O ATOM 126 OE2 GLU A 9 -1.005 -13.107 -4.909 1.00 0.00 O ATOM 0 H GLU A 9 -0.757 -7.318 -6.128 1.00 0.00 H new ATOM 0 HA GLU A 9 -3.187 -8.382 -4.817 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -2.398 -9.906 -6.648 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -0.785 -9.887 -5.963 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -1.706 -10.959 -3.892 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -3.265 -11.069 -4.685 1.00 0.00 H new ATOM 133 N THR A 10 -2.004 -8.431 -2.643 1.00 0.00 N ATOM 134 CA THR A 10 -1.373 -8.402 -1.332 1.00 0.00 C ATOM 135 C THR A 10 -0.824 -7.004 -0.992 1.00 0.00 C ATOM 136 O THR A 10 -0.085 -6.834 -0.027 1.00 0.00 O ATOM 137 CB THR A 10 -0.243 -9.454 -1.239 1.00 0.00 C ATOM 138 OG1 THR A 10 -0.668 -10.674 -1.872 1.00 0.00 O ATOM 139 CG2 THR A 10 0.082 -9.750 0.202 1.00 0.00 C ATOM 0 H THR A 10 -3.018 -8.531 -2.607 1.00 0.00 H new ATOM 0 HA THR A 10 -2.144 -8.647 -0.601 1.00 0.00 H new ATOM 0 HB THR A 10 0.641 -9.056 -1.737 1.00 0.00 H new ATOM 0 HG1 THR A 10 0.049 -11.340 -1.814 1.00 0.00 H new ATOM 0 HG21 THR A 10 0.879 -10.492 0.250 1.00 0.00 H new ATOM 0 HG22 THR A 10 0.408 -8.835 0.697 1.00 0.00 H new ATOM 0 HG23 THR A 10 -0.805 -10.137 0.703 1.00 0.00 H new ATOM 147 N LYS A 11 -1.256 -6.005 -1.745 1.00 0.00 N ATOM 148 CA LYS A 11 -0.759 -4.646 -1.568 1.00 0.00 C ATOM 149 C LYS A 11 -1.042 -4.140 -0.181 1.00 0.00 C ATOM 150 O LYS A 11 -0.164 -3.633 0.495 1.00 0.00 O ATOM 151 CB LYS A 11 -1.447 -3.714 -2.543 1.00 0.00 C ATOM 152 CG LYS A 11 -1.164 -4.005 -3.997 1.00 0.00 C ATOM 153 CD LYS A 11 0.317 -3.889 -4.332 1.00 0.00 C ATOM 154 CE LYS A 11 0.843 -2.477 -4.111 1.00 0.00 C ATOM 155 NZ LYS A 11 2.273 -2.361 -4.486 1.00 0.00 N ATOM 0 H LYS A 11 -1.950 -6.108 -2.485 1.00 0.00 H new ATOM 0 HA LYS A 11 0.317 -4.668 -1.740 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -2.523 -3.767 -2.378 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -1.141 -2.691 -2.325 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -1.511 -5.010 -4.238 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -1.731 -3.313 -4.621 1.00 0.00 H new ATOM 0 HD2 LYS A 11 0.884 -4.587 -3.716 1.00 0.00 H new ATOM 0 HD3 LYS A 11 0.477 -4.177 -5.371 1.00 0.00 H new ATOM 0 HE2 LYS A 11 0.254 -1.773 -4.699 1.00 0.00 H new ATOM 0 HE3 LYS A 11 0.718 -2.201 -3.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 2.597 -1.386 -4.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 2.838 -3.015 -3.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 2.389 -2.600 -5.492 1.00 0.00 H new ATOM 169 N PHE A 12 -2.258 -4.330 0.253 1.00 0.00 N ATOM 170 CA PHE A 12 -2.668 -3.843 1.548 1.00 0.00 C ATOM 171 C PHE A 12 -2.061 -4.643 2.690 1.00 0.00 C ATOM 172 O PHE A 12 -1.771 -4.091 3.753 1.00 0.00 O ATOM 173 CB PHE A 12 -4.180 -3.734 1.663 1.00 0.00 C ATOM 174 CG PHE A 12 -4.729 -2.527 0.949 1.00 0.00 C ATOM 175 CD1 PHE A 12 -5.685 -2.651 -0.040 1.00 0.00 C ATOM 176 CD2 PHE A 12 -4.276 -1.261 1.278 1.00 0.00 C ATOM 177 CE1 PHE A 12 -6.184 -1.531 -0.681 1.00 0.00 C ATOM 178 CE2 PHE A 12 -4.764 -0.144 0.644 1.00 0.00 C ATOM 179 CZ PHE A 12 -5.720 -0.274 -0.332 1.00 0.00 C ATOM 0 H PHE A 12 -2.985 -4.819 -0.269 1.00 0.00 H new ATOM 0 HA PHE A 12 -2.271 -2.832 1.638 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -4.638 -4.634 1.252 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -4.458 -3.687 2.716 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -6.046 -3.631 -0.315 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -3.526 -1.149 2.047 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -6.933 -1.637 -1.451 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -4.396 0.835 0.913 1.00 0.00 H new ATOM 0 HZ PHE A 12 -6.110 0.603 -0.827 1.00 0.00 H new ATOM 189 N TYR A 13 -1.849 -5.942 2.473 1.00 0.00 N ATOM 190 CA TYR A 13 -1.237 -6.760 3.505 1.00 0.00 C ATOM 191 C TYR A 13 0.229 -6.361 3.660 1.00 0.00 C ATOM 192 O TYR A 13 0.723 -6.199 4.772 1.00 0.00 O ATOM 193 CB TYR A 13 -1.350 -8.256 3.188 1.00 0.00 C ATOM 194 CG TYR A 13 -2.771 -8.792 3.161 1.00 0.00 C ATOM 195 CD1 TYR A 13 -3.343 -9.241 1.981 1.00 0.00 C ATOM 196 CD2 TYR A 13 -3.535 -8.851 4.319 1.00 0.00 C ATOM 197 CE1 TYR A 13 -4.632 -9.736 1.955 1.00 0.00 C ATOM 198 CE2 TYR A 13 -4.823 -9.342 4.301 1.00 0.00 C ATOM 199 CZ TYR A 13 -5.367 -9.783 3.117 1.00 0.00 C ATOM 200 OH TYR A 13 -6.650 -10.274 3.095 1.00 0.00 O ATOM 0 H TYR A 13 -2.087 -6.435 1.612 1.00 0.00 H new ATOM 0 HA TYR A 13 -1.770 -6.587 4.440 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -0.886 -8.445 2.220 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -0.779 -8.815 3.929 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -2.771 -9.203 1.066 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -3.112 -8.506 5.251 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -5.061 -10.084 1.027 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -5.402 -9.380 5.212 1.00 0.00 H new ATOM 0 HH TYR A 13 -6.731 -10.947 2.387 1.00 0.00 H new ATOM 210 N ASP A 14 0.904 -6.182 2.522 1.00 0.00 N ATOM 211 CA ASP A 14 2.299 -5.726 2.504 1.00 0.00 C ATOM 212 C ASP A 14 2.450 -4.367 3.137 1.00 0.00 C ATOM 213 O ASP A 14 3.391 -4.128 3.896 1.00 0.00 O ATOM 214 CB ASP A 14 2.827 -5.651 1.076 1.00 0.00 C ATOM 215 CG ASP A 14 3.079 -7.000 0.441 1.00 0.00 C ATOM 216 OD1 ASP A 14 3.633 -7.893 1.117 1.00 0.00 O ATOM 217 OD2 ASP A 14 2.752 -7.167 -0.749 1.00 0.00 O ATOM 0 H ASP A 14 0.507 -6.346 1.597 1.00 0.00 H new ATOM 0 HA ASP A 14 2.872 -6.454 3.078 1.00 0.00 H new ATOM 0 HB2 ASP A 14 2.112 -5.101 0.464 1.00 0.00 H new ATOM 0 HB3 ASP A 14 3.756 -5.080 1.073 1.00 0.00 H new ATOM 222 N ILE A 15 1.534 -3.476 2.822 1.00 0.00 N ATOM 223 CA ILE A 15 1.563 -2.133 3.365 1.00 0.00 C ATOM 224 C ILE A 15 1.446 -2.126 4.898 1.00 0.00 C ATOM 225 O ILE A 15 2.242 -1.474 5.582 1.00 0.00 O ATOM 226 CB ILE A 15 0.469 -1.256 2.712 1.00 0.00 C ATOM 227 CG1 ILE A 15 0.844 -0.931 1.258 1.00 0.00 C ATOM 228 CG2 ILE A 15 0.200 0.013 3.512 1.00 0.00 C ATOM 229 CD1 ILE A 15 -0.271 -0.268 0.472 1.00 0.00 C ATOM 0 H ILE A 15 0.755 -3.658 2.189 1.00 0.00 H new ATOM 0 HA ILE A 15 2.535 -1.703 3.123 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.459 -1.828 2.711 1.00 0.00 H new ATOM 0 HG12 ILE A 15 1.716 -0.278 1.255 1.00 0.00 H new ATOM 0 HG13 ILE A 15 1.134 -1.852 0.753 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -0.575 0.598 3.017 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -0.132 -0.253 4.516 1.00 0.00 H new ATOM 0 HG23 ILE A 15 1.114 0.603 3.577 1.00 0.00 H new ATOM 0 HD11 ILE A 15 0.069 -0.069 -0.545 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.138 -0.928 0.442 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.546 0.671 0.952 1.00 0.00 H new ATOM 241 N LEU A 16 0.469 -2.848 5.434 1.00 0.00 N ATOM 242 CA LEU A 16 0.335 -2.956 6.888 1.00 0.00 C ATOM 243 C LEU A 16 1.464 -3.776 7.530 1.00 0.00 C ATOM 244 O LEU A 16 1.816 -3.552 8.690 1.00 0.00 O ATOM 245 CB LEU A 16 -1.033 -3.521 7.301 1.00 0.00 C ATOM 246 CG LEU A 16 -2.256 -2.630 7.042 1.00 0.00 C ATOM 247 CD1 LEU A 16 -3.523 -3.343 7.480 1.00 0.00 C ATOM 248 CD2 LEU A 16 -2.117 -1.299 7.771 1.00 0.00 C ATOM 0 H LEU A 16 -0.232 -3.360 4.898 1.00 0.00 H new ATOM 0 HA LEU A 16 0.413 -1.936 7.265 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.183 -4.465 6.777 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.999 -3.750 8.366 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.317 -2.428 5.973 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.385 -2.702 7.292 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.631 -4.271 6.918 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.464 -3.568 8.545 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.994 -0.683 7.574 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.033 -1.478 8.843 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.224 -0.782 7.418 1.00 0.00 H new ATOM 260 N GLY A 17 2.040 -4.705 6.780 1.00 0.00 N ATOM 261 CA GLY A 17 3.084 -5.554 7.341 1.00 0.00 C ATOM 262 C GLY A 17 2.507 -6.838 7.901 1.00 0.00 C ATOM 263 O GLY A 17 3.145 -7.541 8.691 1.00 0.00 O ATOM 0 H GLY A 17 1.810 -4.889 5.803 1.00 0.00 H new ATOM 0 HA2 GLY A 17 3.818 -5.788 6.570 1.00 0.00 H new ATOM 0 HA3 GLY A 17 3.610 -5.015 8.129 1.00 0.00 H new ATOM 267 N VAL A 18 1.291 -7.125 7.495 1.00 0.00 N ATOM 268 CA VAL A 18 0.570 -8.312 7.925 1.00 0.00 C ATOM 269 C VAL A 18 0.592 -9.375 6.829 1.00 0.00 C ATOM 270 O VAL A 18 0.800 -9.058 5.656 1.00 0.00 O ATOM 271 CB VAL A 18 -0.896 -7.979 8.284 1.00 0.00 C ATOM 272 CG1 VAL A 18 -0.950 -7.075 9.488 1.00 0.00 C ATOM 273 CG2 VAL A 18 -1.606 -7.336 7.105 1.00 0.00 C ATOM 0 H VAL A 18 0.764 -6.537 6.849 1.00 0.00 H new ATOM 0 HA VAL A 18 1.069 -8.695 8.815 1.00 0.00 H new ATOM 0 HB VAL A 18 -1.409 -8.910 8.525 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.989 -6.850 9.728 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -0.481 -7.572 10.337 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.419 -6.148 9.271 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.636 -7.110 7.380 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.093 -6.414 6.830 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.599 -8.022 6.258 1.00 0.00 H new ATOM 283 N PRO A 19 0.399 -10.651 7.191 1.00 0.00 N ATOM 284 CA PRO A 19 0.358 -11.747 6.216 1.00 0.00 C ATOM 285 C PRO A 19 -0.898 -11.682 5.368 1.00 0.00 C ATOM 286 O PRO A 19 -1.823 -10.940 5.677 1.00 0.00 O ATOM 287 CB PRO A 19 0.311 -12.998 7.099 1.00 0.00 C ATOM 288 CG PRO A 19 -0.315 -12.532 8.357 1.00 0.00 C ATOM 289 CD PRO A 19 0.204 -11.141 8.574 1.00 0.00 C ATOM 0 HA PRO A 19 1.200 -11.720 5.525 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -0.273 -13.792 6.634 1.00 0.00 H new ATOM 0 HB3 PRO A 19 1.309 -13.398 7.276 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -1.402 -12.537 8.279 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -0.052 -13.183 9.191 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -0.506 -10.525 9.126 1.00 0.00 H new ATOM 0 HD3 PRO A 19 1.136 -11.139 9.140 1.00 0.00 H new ATOM 297 N VAL A 20 -0.934 -12.457 4.301 1.00 0.00 N ATOM 298 CA VAL A 20 -2.113 -12.543 3.456 1.00 0.00 C ATOM 299 C VAL A 20 -3.251 -13.109 4.303 1.00 0.00 C ATOM 300 O VAL A 20 -4.416 -12.731 4.168 1.00 0.00 O ATOM 301 CB VAL A 20 -1.869 -13.479 2.242 1.00 0.00 C ATOM 302 CG1 VAL A 20 -3.137 -13.651 1.415 1.00 0.00 C ATOM 303 CG2 VAL A 20 -0.731 -12.963 1.380 1.00 0.00 C ATOM 0 H VAL A 20 -0.155 -13.041 3.996 1.00 0.00 H new ATOM 0 HA VAL A 20 -2.355 -11.552 3.072 1.00 0.00 H new ATOM 0 HB VAL A 20 -1.586 -14.458 2.629 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -2.935 -14.312 0.572 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -3.920 -14.085 2.036 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -3.464 -12.680 1.044 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.580 -13.636 0.536 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.977 -11.967 1.011 1.00 0.00 H new ATOM 0 HG23 VAL A 20 0.182 -12.914 1.974 1.00 0.00 H new ATOM 313 N THR A 21 -2.872 -14.008 5.195 1.00 0.00 N ATOM 314 CA THR A 21 -3.799 -14.688 6.076 1.00 0.00 C ATOM 315 C THR A 21 -3.976 -13.889 7.387 1.00 0.00 C ATOM 316 O THR A 21 -4.313 -14.446 8.433 1.00 0.00 O ATOM 317 CB THR A 21 -3.273 -16.101 6.404 1.00 0.00 C ATOM 318 OG1 THR A 21 -2.751 -16.702 5.208 1.00 0.00 O ATOM 319 CG2 THR A 21 -4.386 -16.987 6.952 1.00 0.00 C ATOM 0 H THR A 21 -1.900 -14.288 5.327 1.00 0.00 H new ATOM 0 HA THR A 21 -4.763 -14.767 5.573 1.00 0.00 H new ATOM 0 HB THR A 21 -2.493 -16.009 7.160 1.00 0.00 H new ATOM 0 HG1 THR A 21 -2.414 -17.599 5.413 1.00 0.00 H new ATOM 0 HG21 THR A 21 -3.987 -17.977 7.174 1.00 0.00 H new ATOM 0 HG22 THR A 21 -4.788 -16.544 7.863 1.00 0.00 H new ATOM 0 HG23 THR A 21 -5.180 -17.074 6.210 1.00 0.00 H new ATOM 327 N ALA A 22 -3.755 -12.578 7.317 1.00 0.00 N ATOM 328 CA ALA A 22 -3.842 -11.711 8.487 1.00 0.00 C ATOM 329 C ALA A 22 -5.202 -11.758 9.148 1.00 0.00 C ATOM 330 O ALA A 22 -6.236 -11.863 8.480 1.00 0.00 O ATOM 331 CB ALA A 22 -3.514 -10.282 8.110 1.00 0.00 C ATOM 0 H ALA A 22 -3.512 -12.091 6.454 1.00 0.00 H new ATOM 0 HA ALA A 22 -3.113 -12.084 9.206 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -3.583 -9.648 8.994 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.502 -10.235 7.708 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -4.220 -9.933 7.357 1.00 0.00 H new ATOM 337 N THR A 23 -5.184 -11.683 10.456 1.00 0.00 N ATOM 338 CA THR A 23 -6.383 -11.670 11.255 1.00 0.00 C ATOM 339 C THR A 23 -6.709 -10.235 11.664 1.00 0.00 C ATOM 340 O THR A 23 -5.867 -9.345 11.514 1.00 0.00 O ATOM 341 CB THR A 23 -6.204 -12.542 12.516 1.00 0.00 C ATOM 342 OG1 THR A 23 -5.068 -12.079 13.266 1.00 0.00 O ATOM 343 CG2 THR A 23 -6.001 -14.002 12.139 1.00 0.00 C ATOM 0 H THR A 23 -4.324 -11.629 11.002 1.00 0.00 H new ATOM 0 HA THR A 23 -7.203 -12.078 10.663 1.00 0.00 H new ATOM 0 HB THR A 23 -7.106 -12.461 13.123 1.00 0.00 H new ATOM 0 HG1 THR A 23 -4.244 -12.326 12.797 1.00 0.00 H new ATOM 0 HG21 THR A 23 -5.877 -14.597 13.044 1.00 0.00 H new ATOM 0 HG22 THR A 23 -6.870 -14.359 11.586 1.00 0.00 H new ATOM 0 HG23 THR A 23 -5.111 -14.097 11.517 1.00 0.00 H new ATOM 351 N ASP A 24 -7.907 -10.017 12.210 1.00 0.00 N ATOM 352 CA ASP A 24 -8.352 -8.686 12.626 1.00 0.00 C ATOM 353 C ASP A 24 -7.370 -8.063 13.603 1.00 0.00 C ATOM 354 O ASP A 24 -7.074 -6.877 13.523 1.00 0.00 O ATOM 355 CB ASP A 24 -9.710 -8.786 13.330 1.00 0.00 C ATOM 356 CG ASP A 24 -10.830 -9.250 12.436 1.00 0.00 C ATOM 357 OD1 ASP A 24 -11.174 -10.462 12.480 1.00 0.00 O ATOM 358 OD2 ASP A 24 -11.402 -8.417 11.731 1.00 0.00 O ATOM 0 H ASP A 24 -8.593 -10.754 12.375 1.00 0.00 H new ATOM 0 HA ASP A 24 -8.423 -8.068 11.731 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -9.622 -9.473 14.171 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -9.967 -7.810 13.741 1.00 0.00 H new ATOM 363 N VAL A 25 -6.853 -8.873 14.509 1.00 0.00 N ATOM 364 CA VAL A 25 -5.934 -8.399 15.535 1.00 0.00 C ATOM 365 C VAL A 25 -4.630 -7.895 14.919 1.00 0.00 C ATOM 366 O VAL A 25 -4.130 -6.826 15.283 1.00 0.00 O ATOM 367 CB VAL A 25 -5.627 -9.516 16.560 1.00 0.00 C ATOM 368 CG1 VAL A 25 -4.535 -9.091 17.535 1.00 0.00 C ATOM 369 CG2 VAL A 25 -6.888 -9.912 17.310 1.00 0.00 C ATOM 0 H VAL A 25 -7.055 -9.872 14.557 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.421 -7.570 16.049 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.262 -10.383 16.009 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -4.344 -9.899 18.242 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -3.622 -8.867 16.984 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -4.858 -8.203 18.078 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -6.653 -10.699 18.027 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -7.284 -9.045 17.839 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -7.633 -10.276 16.603 1.00 0.00 H new ATOM 379 N GLU A 26 -4.106 -8.661 13.967 1.00 0.00 N ATOM 380 CA GLU A 26 -2.850 -8.332 13.295 1.00 0.00 C ATOM 381 C GLU A 26 -3.030 -7.085 12.464 1.00 0.00 C ATOM 382 O GLU A 26 -2.168 -6.215 12.418 1.00 0.00 O ATOM 383 CB GLU A 26 -2.432 -9.496 12.411 1.00 0.00 C ATOM 384 CG GLU A 26 -2.091 -10.739 13.197 1.00 0.00 C ATOM 385 CD GLU A 26 -1.805 -11.921 12.317 1.00 0.00 C ATOM 386 OE1 GLU A 26 -2.756 -12.435 11.684 1.00 0.00 O ATOM 387 OE2 GLU A 26 -0.637 -12.350 12.260 1.00 0.00 O ATOM 0 H GLU A 26 -4.537 -9.525 13.639 1.00 0.00 H new ATOM 0 HA GLU A 26 -2.073 -8.150 14.038 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -3.238 -9.723 11.713 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.568 -9.201 11.815 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -1.222 -10.540 13.825 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -2.918 -10.980 13.865 1.00 0.00 H new ATOM 394 N ILE A 27 -4.171 -7.013 11.831 1.00 0.00 N ATOM 395 CA ILE A 27 -4.554 -5.891 11.013 1.00 0.00 C ATOM 396 C ILE A 27 -4.666 -4.616 11.854 1.00 0.00 C ATOM 397 O ILE A 27 -4.167 -3.552 11.474 1.00 0.00 O ATOM 398 CB ILE A 27 -5.902 -6.204 10.325 1.00 0.00 C ATOM 399 CG1 ILE A 27 -5.696 -7.298 9.269 1.00 0.00 C ATOM 400 CG2 ILE A 27 -6.506 -4.949 9.704 1.00 0.00 C ATOM 401 CD1 ILE A 27 -6.979 -7.898 8.744 1.00 0.00 C ATOM 0 H ILE A 27 -4.876 -7.749 11.870 1.00 0.00 H new ATOM 0 HA ILE A 27 -3.788 -5.723 10.256 1.00 0.00 H new ATOM 0 HB ILE A 27 -6.606 -6.564 11.075 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -5.134 -6.880 8.433 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -5.085 -8.092 9.698 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -7.454 -5.199 9.227 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -6.676 -4.204 10.481 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -5.820 -4.545 8.959 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -6.746 -8.662 8.003 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -7.534 -8.348 9.567 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -7.584 -7.117 8.283 1.00 0.00 H new ATOM 413 N LYS A 28 -5.302 -4.752 13.002 1.00 0.00 N ATOM 414 CA LYS A 28 -5.544 -3.675 13.910 1.00 0.00 C ATOM 415 C LYS A 28 -4.217 -3.092 14.422 1.00 0.00 C ATOM 416 O LYS A 28 -4.004 -1.885 14.387 1.00 0.00 O ATOM 417 CB LYS A 28 -6.334 -4.255 15.073 1.00 0.00 C ATOM 418 CG LYS A 28 -6.903 -3.260 16.034 1.00 0.00 C ATOM 419 CD LYS A 28 -8.060 -2.505 15.411 1.00 0.00 C ATOM 420 CE LYS A 28 -8.788 -1.663 16.436 1.00 0.00 C ATOM 421 NZ LYS A 28 -9.968 -0.985 15.853 1.00 0.00 N ATOM 0 H LYS A 28 -5.671 -5.646 13.327 1.00 0.00 H new ATOM 0 HA LYS A 28 -6.090 -2.871 13.418 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -7.152 -4.852 14.670 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -5.685 -4.935 15.625 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.241 -3.771 16.935 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -6.127 -2.557 16.338 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -7.689 -1.865 14.610 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -8.756 -3.212 14.959 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -9.105 -2.294 17.266 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -8.106 -0.918 16.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -10.268 -0.211 16.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -9.721 -0.599 14.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -10.745 -1.668 15.750 1.00 0.00 H new ATOM 435 N LYS A 29 -3.321 -3.978 14.861 1.00 0.00 N ATOM 436 CA LYS A 29 -2.031 -3.568 15.413 1.00 0.00 C ATOM 437 C LYS A 29 -1.111 -3.016 14.341 1.00 0.00 C ATOM 438 O LYS A 29 -0.354 -2.090 14.587 1.00 0.00 O ATOM 439 CB LYS A 29 -1.364 -4.725 16.173 1.00 0.00 C ATOM 440 CG LYS A 29 -1.121 -5.968 15.330 1.00 0.00 C ATOM 441 CD LYS A 29 -0.547 -7.110 16.158 1.00 0.00 C ATOM 442 CE LYS A 29 0.852 -6.796 16.656 1.00 0.00 C ATOM 443 NZ LYS A 29 1.431 -7.923 17.421 1.00 0.00 N ATOM 0 H LYS A 29 -3.467 -4.987 14.844 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.221 -2.763 16.122 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.411 -4.380 16.574 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -1.989 -4.994 17.024 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -2.058 -6.286 14.873 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -0.435 -5.728 14.518 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -1.200 -7.307 17.008 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -0.524 -8.019 15.557 1.00 0.00 H new ATOM 0 HE2 LYS A 29 1.496 -6.564 15.808 1.00 0.00 H new ATOM 0 HE3 LYS A 29 0.822 -5.907 17.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 2.387 -7.669 17.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 0.831 -8.128 18.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 1.483 -8.765 16.813 1.00 0.00 H new ATOM 457 N ALA A 30 -1.172 -3.593 13.162 1.00 0.00 N ATOM 458 CA ALA A 30 -0.391 -3.120 12.037 1.00 0.00 C ATOM 459 C ALA A 30 -0.793 -1.722 11.677 1.00 0.00 C ATOM 460 O ALA A 30 0.048 -0.877 11.386 1.00 0.00 O ATOM 461 CB ALA A 30 -0.551 -4.037 10.852 1.00 0.00 C ATOM 0 H ALA A 30 -1.761 -4.400 12.954 1.00 0.00 H new ATOM 0 HA ALA A 30 0.660 -3.118 12.325 1.00 0.00 H new ATOM 0 HB1 ALA A 30 0.044 -3.662 10.019 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -0.213 -5.038 11.118 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -1.601 -4.075 10.560 1.00 0.00 H new ATOM 467 N TYR A 31 -2.092 -1.477 11.699 1.00 0.00 N ATOM 468 CA TYR A 31 -2.614 -0.160 11.475 1.00 0.00 C ATOM 469 C TYR A 31 -2.122 0.767 12.561 1.00 0.00 C ATOM 470 O TYR A 31 -1.674 1.874 12.290 1.00 0.00 O ATOM 471 CB TYR A 31 -4.141 -0.174 11.416 1.00 0.00 C ATOM 472 CG TYR A 31 -4.752 1.211 11.348 1.00 0.00 C ATOM 473 CD1 TYR A 31 -4.594 2.006 10.219 1.00 0.00 C ATOM 474 CD2 TYR A 31 -5.492 1.719 12.405 1.00 0.00 C ATOM 475 CE1 TYR A 31 -5.154 3.268 10.152 1.00 0.00 C ATOM 476 CE2 TYR A 31 -6.056 2.978 12.343 1.00 0.00 C ATOM 477 CZ TYR A 31 -5.884 3.747 11.217 1.00 0.00 C ATOM 478 OH TYR A 31 -6.446 5.004 11.153 1.00 0.00 O ATOM 0 H TYR A 31 -2.803 -2.188 11.872 1.00 0.00 H new ATOM 0 HA TYR A 31 -2.257 0.201 10.511 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -4.459 -0.747 10.545 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -4.527 -0.691 12.295 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -4.025 1.632 9.381 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -5.630 1.119 13.293 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -5.020 3.875 9.269 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -6.630 3.357 13.176 1.00 0.00 H new ATOM 0 HH TYR A 31 -6.929 5.189 11.985 1.00 0.00 H new ATOM 488 N ARG A 32 -2.197 0.288 13.794 1.00 0.00 N ATOM 489 CA ARG A 32 -1.769 1.051 14.950 1.00 0.00 C ATOM 490 C ARG A 32 -0.313 1.434 14.847 1.00 0.00 C ATOM 491 O ARG A 32 0.035 2.584 15.054 1.00 0.00 O ATOM 492 CB ARG A 32 -1.971 0.215 16.206 1.00 0.00 C ATOM 493 CG ARG A 32 -3.410 0.057 16.608 1.00 0.00 C ATOM 494 CD ARG A 32 -3.872 1.273 17.376 1.00 0.00 C ATOM 495 NE ARG A 32 -5.294 1.231 17.694 1.00 0.00 N ATOM 496 CZ ARG A 32 -5.889 2.051 18.565 1.00 0.00 C ATOM 497 NH1 ARG A 32 -5.164 2.899 19.288 1.00 0.00 N ATOM 498 NH2 ARG A 32 -7.204 2.010 18.726 1.00 0.00 N ATOM 0 H ARG A 32 -2.556 -0.640 14.018 1.00 0.00 H new ATOM 0 HA ARG A 32 -2.365 1.963 14.995 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -1.538 -0.773 16.047 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -1.423 0.674 17.028 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -4.030 -0.080 15.722 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -3.528 -0.836 17.221 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -3.299 1.353 18.300 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -3.661 2.169 16.792 1.00 0.00 H new ATOM 0 HE ARG A 32 -5.870 0.533 17.223 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -4.150 2.925 19.179 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -5.622 3.524 19.952 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -7.764 1.351 18.184 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -7.656 2.637 19.392 1.00 0.00 H new ATOM 512 N LYS A 33 0.530 0.488 14.492 1.00 0.00 N ATOM 513 CA LYS A 33 1.943 0.791 14.386 1.00 0.00 C ATOM 514 C LYS A 33 2.203 1.673 13.182 1.00 0.00 C ATOM 515 O LYS A 33 2.885 2.659 13.293 1.00 0.00 O ATOM 516 CB LYS A 33 2.801 -0.485 14.335 1.00 0.00 C ATOM 517 CG LYS A 33 2.743 -1.230 13.018 1.00 0.00 C ATOM 518 CD LYS A 33 3.554 -2.516 13.058 1.00 0.00 C ATOM 519 CE LYS A 33 3.426 -3.307 11.757 1.00 0.00 C ATOM 520 NZ LYS A 33 3.943 -2.556 10.584 1.00 0.00 N ATOM 0 H LYS A 33 0.272 -0.475 14.276 1.00 0.00 H new ATOM 0 HA LYS A 33 2.236 1.334 15.285 1.00 0.00 H new ATOM 0 HB2 LYS A 33 3.838 -0.219 14.542 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.479 -1.156 15.132 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.706 -1.462 12.778 1.00 0.00 H new ATOM 0 HG3 LYS A 33 3.119 -0.588 12.221 1.00 0.00 H new ATOM 0 HD2 LYS A 33 4.603 -2.279 13.238 1.00 0.00 H new ATOM 0 HD3 LYS A 33 3.219 -3.132 13.893 1.00 0.00 H new ATOM 0 HE2 LYS A 33 3.970 -4.247 11.852 1.00 0.00 H new ATOM 0 HE3 LYS A 33 2.379 -3.560 11.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 3.170 -2.395 9.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 4.324 -1.641 10.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 4.697 -3.106 10.125 1.00 0.00 H new ATOM 534 N CYS A 34 1.602 1.352 12.050 1.00 0.00 N ATOM 535 CA CYS A 34 1.846 2.131 10.843 1.00 0.00 C ATOM 536 C CYS A 34 1.393 3.579 11.024 1.00 0.00 C ATOM 537 O CYS A 34 2.147 4.518 10.742 1.00 0.00 O ATOM 538 CB CYS A 34 1.152 1.505 9.632 1.00 0.00 C ATOM 539 SG CYS A 34 1.489 2.348 8.065 1.00 0.00 S ATOM 0 H CYS A 34 0.953 0.573 11.938 1.00 0.00 H new ATOM 0 HA CYS A 34 2.921 2.127 10.661 1.00 0.00 H new ATOM 0 HB2 CYS A 34 1.464 0.464 9.546 1.00 0.00 H new ATOM 0 HB3 CYS A 34 0.076 1.502 9.806 1.00 0.00 H new ATOM 0 HG CYS A 34 1.235 1.544 7.076 1.00 0.00 H new ATOM 545 N ALA A 35 0.169 3.754 11.509 1.00 0.00 N ATOM 546 CA ALA A 35 -0.378 5.081 11.723 1.00 0.00 C ATOM 547 C ALA A 35 0.390 5.845 12.798 1.00 0.00 C ATOM 548 O ALA A 35 0.778 6.969 12.592 1.00 0.00 O ATOM 549 CB ALA A 35 -1.852 4.990 12.092 1.00 0.00 C ATOM 0 H ALA A 35 -0.460 2.991 11.760 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.275 5.634 10.789 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -2.250 5.992 12.250 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -2.400 4.505 11.284 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -1.963 4.407 13.007 1.00 0.00 H new ATOM 555 N LEU A 36 0.628 5.211 13.936 1.00 0.00 N ATOM 556 CA LEU A 36 1.336 5.870 15.026 1.00 0.00 C ATOM 557 C LEU A 36 2.766 6.217 14.642 1.00 0.00 C ATOM 558 O LEU A 36 3.265 7.287 14.984 1.00 0.00 O ATOM 559 CB LEU A 36 1.314 5.025 16.299 1.00 0.00 C ATOM 560 CG LEU A 36 -0.051 4.887 16.988 1.00 0.00 C ATOM 561 CD1 LEU A 36 0.030 3.895 18.139 1.00 0.00 C ATOM 562 CD2 LEU A 36 -0.544 6.240 17.484 1.00 0.00 C ATOM 0 H LEU A 36 0.345 4.250 14.129 1.00 0.00 H new ATOM 0 HA LEU A 36 0.808 6.802 15.227 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.679 4.027 16.056 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.017 5.457 17.011 1.00 0.00 H new ATOM 0 HG LEU A 36 -0.766 4.510 16.256 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.947 3.810 18.616 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.334 2.920 17.758 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.761 4.243 18.869 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -1.513 6.119 17.969 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.171 6.648 18.198 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.644 6.923 16.640 1.00 0.00 H new ATOM 574 N LYS A 37 3.418 5.318 13.936 1.00 0.00 N ATOM 575 CA LYS A 37 4.795 5.527 13.522 1.00 0.00 C ATOM 576 C LYS A 37 4.953 6.679 12.507 1.00 0.00 C ATOM 577 O LYS A 37 5.907 7.442 12.592 1.00 0.00 O ATOM 578 CB LYS A 37 5.390 4.227 12.961 1.00 0.00 C ATOM 579 CG LYS A 37 5.599 3.142 14.020 1.00 0.00 C ATOM 580 CD LYS A 37 6.066 1.833 13.411 1.00 0.00 C ATOM 581 CE LYS A 37 7.451 1.971 12.793 1.00 0.00 C ATOM 582 NZ LYS A 37 7.964 0.684 12.269 1.00 0.00 N ATOM 0 H LYS A 37 3.017 4.430 13.634 1.00 0.00 H new ATOM 0 HA LYS A 37 5.348 5.822 14.414 1.00 0.00 H new ATOM 0 HB2 LYS A 37 4.731 3.842 12.183 1.00 0.00 H new ATOM 0 HB3 LYS A 37 6.346 4.450 12.487 1.00 0.00 H new ATOM 0 HG2 LYS A 37 6.333 3.484 14.749 1.00 0.00 H new ATOM 0 HG3 LYS A 37 4.666 2.978 14.560 1.00 0.00 H new ATOM 0 HD2 LYS A 37 6.084 1.059 14.178 1.00 0.00 H new ATOM 0 HD3 LYS A 37 5.356 1.511 12.649 1.00 0.00 H new ATOM 0 HE2 LYS A 37 7.414 2.701 11.984 1.00 0.00 H new ATOM 0 HE3 LYS A 37 8.143 2.358 13.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 8.909 0.828 11.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 8.025 -0.007 13.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 7.319 0.326 11.536 1.00 0.00 H new ATOM 596 N TYR A 38 4.027 6.796 11.543 1.00 0.00 N ATOM 597 CA TYR A 38 4.160 7.819 10.485 1.00 0.00 C ATOM 598 C TYR A 38 2.975 8.797 10.371 1.00 0.00 C ATOM 599 O TYR A 38 2.814 9.439 9.343 1.00 0.00 O ATOM 600 CB TYR A 38 4.408 7.131 9.142 1.00 0.00 C ATOM 601 CG TYR A 38 5.774 6.481 9.039 1.00 0.00 C ATOM 602 CD1 TYR A 38 5.985 5.179 9.478 1.00 0.00 C ATOM 603 CD2 TYR A 38 6.851 7.174 8.504 1.00 0.00 C ATOM 604 CE1 TYR A 38 7.232 4.587 9.383 1.00 0.00 C ATOM 605 CE2 TYR A 38 8.098 6.590 8.406 1.00 0.00 C ATOM 606 CZ TYR A 38 8.284 5.298 8.845 1.00 0.00 C ATOM 607 OH TYR A 38 9.528 4.716 8.750 1.00 0.00 O ATOM 0 H TYR A 38 3.194 6.211 11.470 1.00 0.00 H new ATOM 0 HA TYR A 38 5.010 8.438 10.773 1.00 0.00 H new ATOM 0 HB2 TYR A 38 3.641 6.373 8.984 1.00 0.00 H new ATOM 0 HB3 TYR A 38 4.302 7.864 8.342 1.00 0.00 H new ATOM 0 HD1 TYR A 38 5.162 4.621 9.900 1.00 0.00 H new ATOM 0 HD2 TYR A 38 6.711 8.188 8.158 1.00 0.00 H new ATOM 0 HE1 TYR A 38 7.381 3.574 9.728 1.00 0.00 H new ATOM 0 HE2 TYR A 38 8.925 7.144 7.987 1.00 0.00 H new ATOM 0 HH TYR A 38 10.156 5.351 8.347 1.00 0.00 H new ATOM 617 N HIS A 39 2.173 8.933 11.411 1.00 0.00 N ATOM 618 CA HIS A 39 1.030 9.871 11.353 1.00 0.00 C ATOM 619 C HIS A 39 1.502 11.325 11.200 1.00 0.00 C ATOM 620 O HIS A 39 2.459 11.740 11.851 1.00 0.00 O ATOM 621 CB HIS A 39 0.121 9.739 12.593 1.00 0.00 C ATOM 622 CG HIS A 39 0.796 10.016 13.907 1.00 0.00 C ATOM 623 ND1 HIS A 39 0.109 10.344 15.052 1.00 0.00 N ATOM 624 CD2 HIS A 39 2.101 9.968 14.261 1.00 0.00 C ATOM 625 CE1 HIS A 39 0.959 10.484 16.047 1.00 0.00 C ATOM 626 NE2 HIS A 39 2.173 10.257 15.594 1.00 0.00 N ATOM 0 H HIS A 39 2.273 8.428 12.291 1.00 0.00 H new ATOM 0 HA HIS A 39 0.448 9.602 10.472 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -0.721 10.423 12.483 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -0.290 8.730 12.618 1.00 0.00 H new ATOM 0 HD1 HIS A 39 -0.902 10.461 15.120 1.00 0.00 H new ATOM 0 HD2 HIS A 39 2.932 9.743 13.610 1.00 0.00 H new ATOM 0 HE1 HIS A 39 0.703 10.742 17.064 1.00 0.00 H new ATOM 634 N PRO A 40 0.798 12.119 10.365 1.00 0.00 N ATOM 635 CA PRO A 40 1.152 13.531 10.077 1.00 0.00 C ATOM 636 C PRO A 40 1.198 14.418 11.325 1.00 0.00 C ATOM 637 O PRO A 40 1.898 15.429 11.352 1.00 0.00 O ATOM 638 CB PRO A 40 0.022 13.994 9.154 1.00 0.00 C ATOM 639 CG PRO A 40 -0.489 12.746 8.535 1.00 0.00 C ATOM 640 CD PRO A 40 -0.397 11.702 9.603 1.00 0.00 C ATOM 0 HA PRO A 40 2.152 13.605 9.649 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -0.760 14.509 9.712 1.00 0.00 H new ATOM 0 HB3 PRO A 40 0.387 14.691 8.399 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -1.517 12.869 8.195 1.00 0.00 H new ATOM 0 HG3 PRO A 40 0.104 12.469 7.664 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -1.290 11.683 10.228 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -0.281 10.703 9.183 1.00 0.00 H new ATOM 648 N ASP A 41 0.451 14.033 12.348 1.00 0.00 N ATOM 649 CA ASP A 41 0.360 14.819 13.586 1.00 0.00 C ATOM 650 C ASP A 41 1.698 14.938 14.307 1.00 0.00 C ATOM 651 O ASP A 41 1.920 15.887 15.059 1.00 0.00 O ATOM 652 CB ASP A 41 -0.687 14.235 14.528 1.00 0.00 C ATOM 653 CG ASP A 41 -2.092 14.393 14.004 1.00 0.00 C ATOM 654 OD1 ASP A 41 -2.434 15.501 13.533 1.00 0.00 O ATOM 655 OD2 ASP A 41 -2.857 13.413 14.054 1.00 0.00 O ATOM 0 H ASP A 41 -0.106 13.179 12.353 1.00 0.00 H new ATOM 0 HA ASP A 41 0.058 15.823 13.289 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -0.479 13.177 14.685 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -0.609 14.723 15.500 1.00 0.00 H new ATOM 660 N LYS A 42 2.590 13.995 14.070 1.00 0.00 N ATOM 661 CA LYS A 42 3.894 14.004 14.720 1.00 0.00 C ATOM 662 C LYS A 42 5.001 13.799 13.692 1.00 0.00 C ATOM 663 O LYS A 42 6.161 14.111 13.936 1.00 0.00 O ATOM 664 CB LYS A 42 3.967 12.960 15.840 1.00 0.00 C ATOM 665 CG LYS A 42 3.043 13.265 17.012 1.00 0.00 C ATOM 666 CD LYS A 42 3.176 12.229 18.116 1.00 0.00 C ATOM 667 CE LYS A 42 2.254 12.537 19.285 1.00 0.00 C ATOM 668 NZ LYS A 42 2.372 11.527 20.368 1.00 0.00 N ATOM 0 H LYS A 42 2.439 13.212 13.434 1.00 0.00 H new ATOM 0 HA LYS A 42 4.038 14.980 15.183 1.00 0.00 H new ATOM 0 HB2 LYS A 42 3.713 11.982 15.432 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.993 12.898 16.202 1.00 0.00 H new ATOM 0 HG2 LYS A 42 3.274 14.253 17.410 1.00 0.00 H new ATOM 0 HG3 LYS A 42 2.011 13.295 16.663 1.00 0.00 H new ATOM 0 HD2 LYS A 42 2.944 11.241 17.719 1.00 0.00 H new ATOM 0 HD3 LYS A 42 4.208 12.198 18.464 1.00 0.00 H new ATOM 0 HE2 LYS A 42 2.490 13.524 19.683 1.00 0.00 H new ATOM 0 HE3 LYS A 42 1.223 12.573 18.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 1.727 11.774 21.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 2.122 10.588 19.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 3.350 11.510 20.722 1.00 0.00 H new ATOM 682 N ASN A 43 4.621 13.265 12.543 1.00 0.00 N ATOM 683 CA ASN A 43 5.529 13.074 11.429 1.00 0.00 C ATOM 684 C ASN A 43 5.124 14.015 10.306 1.00 0.00 C ATOM 685 O ASN A 43 4.116 13.798 9.641 1.00 0.00 O ATOM 686 CB ASN A 43 5.495 11.620 10.959 1.00 0.00 C ATOM 687 CG ASN A 43 5.949 10.668 12.036 1.00 0.00 C ATOM 688 OD1 ASN A 43 7.145 10.436 12.217 1.00 0.00 O ATOM 689 ND2 ASN A 43 5.004 10.115 12.754 1.00 0.00 N ATOM 0 H ASN A 43 3.668 12.951 12.358 1.00 0.00 H new ATOM 0 HA ASN A 43 6.550 13.298 11.739 1.00 0.00 H new ATOM 0 HB2 ASN A 43 4.482 11.362 10.651 1.00 0.00 H new ATOM 0 HB3 ASN A 43 6.133 11.507 10.083 1.00 0.00 H new ATOM 0 HD21 ASN A 43 5.246 9.462 13.499 1.00 0.00 H new ATOM 0 HD22 ASN A 43 4.026 10.337 12.568 1.00 0.00 H new ATOM 696 N PRO A 44 5.898 15.082 10.099 1.00 0.00 N ATOM 697 CA PRO A 44 5.564 16.141 9.134 1.00 0.00 C ATOM 698 C PRO A 44 5.690 15.729 7.665 1.00 0.00 C ATOM 699 O PRO A 44 5.130 16.393 6.787 1.00 0.00 O ATOM 700 CB PRO A 44 6.573 17.241 9.466 1.00 0.00 C ATOM 701 CG PRO A 44 7.742 16.515 10.029 1.00 0.00 C ATOM 702 CD PRO A 44 7.176 15.352 10.791 1.00 0.00 C ATOM 0 HA PRO A 44 4.518 16.432 9.227 1.00 0.00 H new ATOM 0 HB2 PRO A 44 6.849 17.809 8.577 1.00 0.00 H new ATOM 0 HB3 PRO A 44 6.164 17.952 10.184 1.00 0.00 H new ATOM 0 HG2 PRO A 44 8.409 16.175 9.237 1.00 0.00 H new ATOM 0 HG3 PRO A 44 8.326 17.163 10.682 1.00 0.00 H new ATOM 0 HD2 PRO A 44 7.841 14.489 10.760 1.00 0.00 H new ATOM 0 HD3 PRO A 44 7.021 15.597 11.842 1.00 0.00 H new ATOM 710 N SER A 45 6.411 14.652 7.400 1.00 0.00 N ATOM 711 CA SER A 45 6.672 14.233 6.036 1.00 0.00 C ATOM 712 C SER A 45 5.399 13.869 5.306 1.00 0.00 C ATOM 713 O SER A 45 4.510 13.200 5.844 1.00 0.00 O ATOM 714 CB SER A 45 7.586 13.047 6.020 1.00 0.00 C ATOM 715 OG SER A 45 8.679 13.233 6.907 1.00 0.00 O ATOM 0 H SER A 45 6.826 14.052 8.113 1.00 0.00 H new ATOM 0 HA SER A 45 7.139 15.077 5.529 1.00 0.00 H new ATOM 0 HB2 SER A 45 7.031 12.153 6.304 1.00 0.00 H new ATOM 0 HB3 SER A 45 7.958 12.884 5.008 1.00 0.00 H new ATOM 0 HG SER A 45 9.260 12.444 6.880 1.00 0.00 H new ATOM 721 N GLU A 46 5.337 14.303 4.090 1.00 0.00 N ATOM 722 CA GLU A 46 4.219 14.033 3.212 1.00 0.00 C ATOM 723 C GLU A 46 4.121 12.548 2.918 1.00 0.00 C ATOM 724 O GLU A 46 3.035 11.991 2.866 1.00 0.00 O ATOM 725 CB GLU A 46 4.362 14.823 1.914 1.00 0.00 C ATOM 726 CG GLU A 46 4.210 16.319 2.094 1.00 0.00 C ATOM 727 CD GLU A 46 2.860 16.699 2.654 1.00 0.00 C ATOM 728 OE1 GLU A 46 1.841 16.376 2.020 1.00 0.00 O ATOM 729 OE2 GLU A 46 2.812 17.327 3.728 1.00 0.00 O ATOM 0 H GLU A 46 6.070 14.867 3.660 1.00 0.00 H new ATOM 0 HA GLU A 46 3.303 14.347 3.712 1.00 0.00 H new ATOM 0 HB2 GLU A 46 5.339 14.616 1.478 1.00 0.00 H new ATOM 0 HB3 GLU A 46 3.615 14.474 1.202 1.00 0.00 H new ATOM 0 HG2 GLU A 46 4.992 16.683 2.761 1.00 0.00 H new ATOM 0 HG3 GLU A 46 4.354 16.814 1.134 1.00 0.00 H new ATOM 736 N GLU A 47 5.271 11.916 2.731 1.00 0.00 N ATOM 737 CA GLU A 47 5.346 10.488 2.464 1.00 0.00 C ATOM 738 C GLU A 47 4.852 9.701 3.654 1.00 0.00 C ATOM 739 O GLU A 47 4.204 8.668 3.507 1.00 0.00 O ATOM 740 CB GLU A 47 6.767 10.092 2.143 1.00 0.00 C ATOM 741 CG GLU A 47 7.275 10.677 0.839 1.00 0.00 C ATOM 742 CD GLU A 47 8.630 10.145 0.452 1.00 0.00 C ATOM 743 OE1 GLU A 47 9.646 10.609 1.016 1.00 0.00 O ATOM 744 OE2 GLU A 47 8.690 9.259 -0.422 1.00 0.00 O ATOM 0 H GLU A 47 6.179 12.380 2.760 1.00 0.00 H new ATOM 0 HA GLU A 47 4.711 10.264 1.607 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.418 10.414 2.955 1.00 0.00 H new ATOM 0 HB3 GLU A 47 6.831 9.005 2.095 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.562 10.456 0.044 1.00 0.00 H new ATOM 0 HG3 GLU A 47 7.327 11.762 0.928 1.00 0.00 H new ATOM 751 N ALA A 48 5.189 10.183 4.832 1.00 0.00 N ATOM 752 CA ALA A 48 4.739 9.567 6.071 1.00 0.00 C ATOM 753 C ALA A 48 3.240 9.624 6.126 1.00 0.00 C ATOM 754 O ALA A 48 2.566 8.670 6.515 1.00 0.00 O ATOM 755 CB ALA A 48 5.354 10.272 7.272 1.00 0.00 C ATOM 0 H ALA A 48 5.778 11.006 4.962 1.00 0.00 H new ATOM 0 HA ALA A 48 5.060 8.526 6.100 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.006 9.798 8.190 1.00 0.00 H new ATOM 0 HB2 ALA A 48 6.440 10.203 7.217 1.00 0.00 H new ATOM 0 HB3 ALA A 48 5.056 11.321 7.270 1.00 0.00 H new ATOM 761 N ALA A 49 2.738 10.745 5.702 1.00 0.00 N ATOM 762 CA ALA A 49 1.308 10.982 5.607 1.00 0.00 C ATOM 763 C ALA A 49 0.684 10.028 4.596 1.00 0.00 C ATOM 764 O ALA A 49 -0.424 9.524 4.795 1.00 0.00 O ATOM 765 CB ALA A 49 1.024 12.431 5.232 1.00 0.00 C ATOM 0 H ALA A 49 3.308 11.538 5.406 1.00 0.00 H new ATOM 0 HA ALA A 49 0.859 10.795 6.583 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -0.053 12.585 5.167 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.440 13.092 5.993 1.00 0.00 H new ATOM 0 HB3 ALA A 49 1.482 12.654 4.268 1.00 0.00 H new ATOM 771 N GLU A 50 1.411 9.791 3.501 1.00 0.00 N ATOM 772 CA GLU A 50 0.963 8.874 2.464 1.00 0.00 C ATOM 773 C GLU A 50 0.837 7.484 3.044 1.00 0.00 C ATOM 774 O GLU A 50 -0.113 6.761 2.765 1.00 0.00 O ATOM 775 CB GLU A 50 1.958 8.830 1.311 1.00 0.00 C ATOM 776 CG GLU A 50 2.189 10.162 0.646 1.00 0.00 C ATOM 777 CD GLU A 50 2.833 10.012 -0.709 1.00 0.00 C ATOM 778 OE1 GLU A 50 4.064 10.179 -0.819 1.00 0.00 O ATOM 779 OE2 GLU A 50 2.101 9.718 -1.681 1.00 0.00 O ATOM 0 H GLU A 50 2.315 10.226 3.315 1.00 0.00 H new ATOM 0 HA GLU A 50 0.000 9.223 2.091 1.00 0.00 H new ATOM 0 HB2 GLU A 50 2.910 8.451 1.682 1.00 0.00 H new ATOM 0 HB3 GLU A 50 1.601 8.120 0.564 1.00 0.00 H new ATOM 0 HG2 GLU A 50 1.238 10.684 0.540 1.00 0.00 H new ATOM 0 HG3 GLU A 50 2.823 10.780 1.282 1.00 0.00 H new ATOM 786 N LYS A 51 1.804 7.129 3.863 1.00 0.00 N ATOM 787 CA LYS A 51 1.808 5.845 4.542 1.00 0.00 C ATOM 788 C LYS A 51 0.604 5.727 5.461 1.00 0.00 C ATOM 789 O LYS A 51 -0.011 4.672 5.568 1.00 0.00 O ATOM 790 CB LYS A 51 3.080 5.692 5.352 1.00 0.00 C ATOM 791 CG LYS A 51 4.326 5.535 4.509 1.00 0.00 C ATOM 792 CD LYS A 51 5.561 5.496 5.378 1.00 0.00 C ATOM 793 CE LYS A 51 5.567 4.269 6.291 1.00 0.00 C ATOM 794 NZ LYS A 51 5.595 2.991 5.520 1.00 0.00 N ATOM 0 H LYS A 51 2.608 7.718 4.078 1.00 0.00 H new ATOM 0 HA LYS A 51 1.759 5.057 3.791 1.00 0.00 H new ATOM 0 HB2 LYS A 51 3.196 6.563 5.996 1.00 0.00 H new ATOM 0 HB3 LYS A 51 2.982 4.824 6.004 1.00 0.00 H new ATOM 0 HG2 LYS A 51 4.260 4.619 3.922 1.00 0.00 H new ATOM 0 HG3 LYS A 51 4.399 6.362 3.803 1.00 0.00 H new ATOM 0 HD2 LYS A 51 6.450 5.486 4.748 1.00 0.00 H new ATOM 0 HD3 LYS A 51 5.610 6.401 5.983 1.00 0.00 H new ATOM 0 HE2 LYS A 51 6.434 4.313 6.950 1.00 0.00 H new ATOM 0 HE3 LYS A 51 4.682 4.288 6.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 5.819 2.203 6.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 4.665 2.829 5.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 6.321 3.049 4.777 1.00 0.00 H new ATOM 808 N PHE A 52 0.291 6.818 6.128 1.00 0.00 N ATOM 809 CA PHE A 52 -0.852 6.874 7.013 1.00 0.00 C ATOM 810 C PHE A 52 -2.159 6.609 6.245 1.00 0.00 C ATOM 811 O PHE A 52 -2.970 5.777 6.653 1.00 0.00 O ATOM 812 CB PHE A 52 -0.903 8.239 7.713 1.00 0.00 C ATOM 813 CG PHE A 52 -2.094 8.421 8.620 1.00 0.00 C ATOM 814 CD1 PHE A 52 -2.069 7.961 9.923 1.00 0.00 C ATOM 815 CD2 PHE A 52 -3.244 9.047 8.157 1.00 0.00 C ATOM 816 CE1 PHE A 52 -3.165 8.123 10.750 1.00 0.00 C ATOM 817 CE2 PHE A 52 -4.339 9.210 8.978 1.00 0.00 C ATOM 818 CZ PHE A 52 -4.301 8.748 10.277 1.00 0.00 C ATOM 0 H PHE A 52 0.820 7.688 6.072 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.746 6.093 7.766 1.00 0.00 H new ATOM 0 HB2 PHE A 52 0.008 8.370 8.297 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.913 9.023 6.956 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -1.184 7.470 10.299 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -3.281 9.411 7.141 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -3.132 7.760 11.767 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -5.226 9.699 8.604 1.00 0.00 H new ATOM 0 HZ PHE A 52 -5.158 8.875 10.922 1.00 0.00 H new ATOM 828 N LYS A 53 -2.349 7.313 5.123 1.00 0.00 N ATOM 829 CA LYS A 53 -3.575 7.173 4.326 1.00 0.00 C ATOM 830 C LYS A 53 -3.686 5.808 3.645 1.00 0.00 C ATOM 831 O LYS A 53 -4.786 5.270 3.492 1.00 0.00 O ATOM 832 CB LYS A 53 -3.699 8.300 3.297 1.00 0.00 C ATOM 833 CG LYS A 53 -2.556 8.372 2.304 1.00 0.00 C ATOM 834 CD LYS A 53 -2.703 9.548 1.349 1.00 0.00 C ATOM 835 CE LYS A 53 -3.911 9.398 0.434 1.00 0.00 C ATOM 836 NZ LYS A 53 -3.790 8.224 -0.464 1.00 0.00 N ATOM 0 H LYS A 53 -1.675 7.981 4.748 1.00 0.00 H new ATOM 0 HA LYS A 53 -4.406 7.248 5.027 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -4.633 8.173 2.749 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -3.766 9.251 3.825 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -1.613 8.459 2.843 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -2.513 7.445 1.733 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -2.796 10.470 1.923 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -1.800 9.638 0.745 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -4.813 9.300 1.038 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -4.026 10.301 -0.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -4.523 8.273 -1.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -2.851 8.224 -0.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -3.911 7.351 0.088 1.00 0.00 H new ATOM 850 N GLU A 54 -2.575 5.252 3.214 1.00 0.00 N ATOM 851 CA GLU A 54 -2.613 3.923 2.618 1.00 0.00 C ATOM 852 C GLU A 54 -2.899 2.878 3.695 1.00 0.00 C ATOM 853 O GLU A 54 -3.578 1.879 3.448 1.00 0.00 O ATOM 854 CB GLU A 54 -1.317 3.606 1.844 1.00 0.00 C ATOM 855 CG GLU A 54 -0.063 3.621 2.690 1.00 0.00 C ATOM 856 CD GLU A 54 1.201 3.415 1.882 1.00 0.00 C ATOM 857 OE1 GLU A 54 1.560 4.304 1.082 1.00 0.00 O ATOM 858 OE2 GLU A 54 1.858 2.372 2.057 1.00 0.00 O ATOM 0 H GLU A 54 -1.651 5.682 3.260 1.00 0.00 H new ATOM 0 HA GLU A 54 -3.422 3.896 1.888 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -1.416 2.624 1.381 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.204 4.330 1.037 1.00 0.00 H new ATOM 0 HG2 GLU A 54 0.001 4.573 3.217 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.134 2.841 3.448 1.00 0.00 H new ATOM 865 N ALA A 55 -2.404 3.142 4.904 1.00 0.00 N ATOM 866 CA ALA A 55 -2.641 2.274 6.043 1.00 0.00 C ATOM 867 C ALA A 55 -4.103 2.310 6.449 1.00 0.00 C ATOM 868 O ALA A 55 -4.690 1.287 6.785 1.00 0.00 O ATOM 869 CB ALA A 55 -1.765 2.672 7.217 1.00 0.00 C ATOM 0 H ALA A 55 -1.832 3.960 5.114 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.384 1.257 5.748 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -1.960 2.007 8.059 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -0.716 2.596 6.931 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -1.989 3.699 7.506 1.00 0.00 H new ATOM 875 N SER A 56 -4.691 3.504 6.409 1.00 0.00 N ATOM 876 CA SER A 56 -6.067 3.680 6.788 1.00 0.00 C ATOM 877 C SER A 56 -7.006 2.971 5.816 1.00 0.00 C ATOM 878 O SER A 56 -8.014 2.416 6.223 1.00 0.00 O ATOM 879 CB SER A 56 -6.404 5.169 6.932 1.00 0.00 C ATOM 880 OG SER A 56 -6.177 5.879 5.732 1.00 0.00 O ATOM 0 H SER A 56 -4.222 4.360 6.114 1.00 0.00 H new ATOM 0 HA SER A 56 -6.214 3.216 7.763 1.00 0.00 H new ATOM 0 HB2 SER A 56 -7.448 5.278 7.226 1.00 0.00 H new ATOM 0 HB3 SER A 56 -5.801 5.602 7.730 1.00 0.00 H new ATOM 0 HG SER A 56 -5.713 5.300 5.092 1.00 0.00 H new ATOM 886 N ALA A 57 -6.670 3.001 4.528 1.00 0.00 N ATOM 887 CA ALA A 57 -7.454 2.288 3.518 1.00 0.00 C ATOM 888 C ALA A 57 -7.336 0.781 3.714 1.00 0.00 C ATOM 889 O ALA A 57 -8.314 0.034 3.587 1.00 0.00 O ATOM 890 CB ALA A 57 -7.021 2.689 2.118 1.00 0.00 C ATOM 0 H ALA A 57 -5.865 3.508 4.159 1.00 0.00 H new ATOM 0 HA ALA A 57 -8.501 2.565 3.638 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -7.617 2.147 1.384 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -7.168 3.761 1.985 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -5.967 2.447 1.980 1.00 0.00 H new ATOM 896 N ALA A 58 -6.132 0.344 4.031 1.00 0.00 N ATOM 897 CA ALA A 58 -5.895 -1.045 4.316 1.00 0.00 C ATOM 898 C ALA A 58 -6.735 -1.436 5.500 1.00 0.00 C ATOM 899 O ALA A 58 -7.409 -2.440 5.487 1.00 0.00 O ATOM 900 CB ALA A 58 -4.425 -1.274 4.623 1.00 0.00 C ATOM 0 H ALA A 58 -5.305 0.938 4.096 1.00 0.00 H new ATOM 0 HA ALA A 58 -6.162 -1.652 3.451 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -4.258 -2.330 4.837 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -3.823 -0.979 3.763 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -4.137 -0.678 5.489 1.00 0.00 H new ATOM 906 N TYR A 59 -6.723 -0.584 6.496 1.00 0.00 N ATOM 907 CA TYR A 59 -7.502 -0.762 7.695 1.00 0.00 C ATOM 908 C TYR A 59 -8.997 -0.791 7.402 1.00 0.00 C ATOM 909 O TYR A 59 -9.689 -1.652 7.878 1.00 0.00 O ATOM 910 CB TYR A 59 -7.167 0.342 8.692 1.00 0.00 C ATOM 911 CG TYR A 59 -7.976 0.322 9.969 1.00 0.00 C ATOM 912 CD1 TYR A 59 -7.704 -0.597 10.971 1.00 0.00 C ATOM 913 CD2 TYR A 59 -8.997 1.238 10.180 1.00 0.00 C ATOM 914 CE1 TYR A 59 -8.428 -0.604 12.144 1.00 0.00 C ATOM 915 CE2 TYR A 59 -9.727 1.235 11.349 1.00 0.00 C ATOM 916 CZ TYR A 59 -9.438 0.314 12.329 1.00 0.00 C ATOM 917 OH TYR A 59 -10.165 0.307 13.499 1.00 0.00 O ATOM 0 H TYR A 59 -6.161 0.267 6.495 1.00 0.00 H new ATOM 0 HA TYR A 59 -7.244 -1.729 8.127 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -6.110 0.269 8.949 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -7.311 1.306 8.204 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -6.913 -1.318 10.830 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -9.223 1.966 9.415 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -8.204 -1.326 12.915 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -10.522 1.952 11.495 1.00 0.00 H new ATOM 0 HH TYR A 59 -10.838 1.019 13.470 1.00 0.00 H new ATOM 927 N GLU A 60 -9.483 0.147 6.604 1.00 0.00 N ATOM 928 CA GLU A 60 -10.916 0.250 6.370 1.00 0.00 C ATOM 929 C GLU A 60 -11.503 -1.032 5.766 1.00 0.00 C ATOM 930 O GLU A 60 -12.652 -1.380 6.050 1.00 0.00 O ATOM 931 CB GLU A 60 -11.276 1.489 5.524 1.00 0.00 C ATOM 932 CG GLU A 60 -10.808 1.449 4.088 1.00 0.00 C ATOM 933 CD GLU A 60 -10.998 2.774 3.384 1.00 0.00 C ATOM 934 OE1 GLU A 60 -10.180 3.692 3.593 1.00 0.00 O ATOM 935 OE2 GLU A 60 -11.965 2.912 2.624 1.00 0.00 O ATOM 0 H GLU A 60 -8.916 0.839 6.113 1.00 0.00 H new ATOM 0 HA GLU A 60 -11.378 0.380 7.349 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -12.359 1.612 5.533 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -10.851 2.371 6.003 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -9.754 1.173 4.060 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -11.355 0.674 3.552 1.00 0.00 H new ATOM 942 N ILE A 61 -10.721 -1.735 4.945 1.00 0.00 N ATOM 943 CA ILE A 61 -11.192 -2.986 4.377 1.00 0.00 C ATOM 944 C ILE A 61 -10.783 -4.176 5.223 1.00 0.00 C ATOM 945 O ILE A 61 -11.597 -5.020 5.555 1.00 0.00 O ATOM 946 CB ILE A 61 -10.742 -3.177 2.910 1.00 0.00 C ATOM 947 CG1 ILE A 61 -9.224 -3.041 2.771 1.00 0.00 C ATOM 948 CG2 ILE A 61 -11.460 -2.189 1.998 1.00 0.00 C ATOM 949 CD1 ILE A 61 -8.711 -3.368 1.391 1.00 0.00 C ATOM 0 H ILE A 61 -9.779 -1.462 4.666 1.00 0.00 H new ATOM 0 HA ILE A 61 -12.280 -2.928 4.377 1.00 0.00 H new ATOM 0 HB ILE A 61 -11.012 -4.188 2.605 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -8.935 -2.021 3.025 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -8.741 -3.699 3.494 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -11.131 -2.338 0.970 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -12.536 -2.351 2.062 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -11.227 -1.171 2.310 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -7.628 -3.250 1.368 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -8.969 -4.397 1.141 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -9.165 -2.694 0.665 1.00 0.00 H new ATOM 961 N LEU A 62 -9.524 -4.224 5.572 1.00 0.00 N ATOM 962 CA LEU A 62 -8.967 -5.326 6.333 1.00 0.00 C ATOM 963 C LEU A 62 -9.537 -5.441 7.760 1.00 0.00 C ATOM 964 O LEU A 62 -9.770 -6.542 8.242 1.00 0.00 O ATOM 965 CB LEU A 62 -7.459 -5.210 6.340 1.00 0.00 C ATOM 966 CG LEU A 62 -6.799 -5.358 4.969 1.00 0.00 C ATOM 967 CD1 LEU A 62 -5.298 -5.171 5.065 1.00 0.00 C ATOM 968 CD2 LEU A 62 -7.134 -6.698 4.338 1.00 0.00 C ATOM 0 H LEU A 62 -8.847 -3.498 5.338 1.00 0.00 H new ATOM 0 HA LEU A 62 -9.262 -6.252 5.840 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -7.185 -4.241 6.757 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -7.053 -5.970 7.007 1.00 0.00 H new ATOM 0 HG LEU A 62 -7.199 -4.575 4.325 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.854 -5.281 4.076 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -5.079 -4.176 5.452 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -4.880 -5.921 5.736 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -6.650 -6.773 3.364 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -6.779 -7.502 4.982 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -8.214 -6.782 4.214 1.00 0.00 H new ATOM 980 N SER A 63 -9.767 -4.305 8.420 1.00 0.00 N ATOM 981 CA SER A 63 -10.336 -4.288 9.783 1.00 0.00 C ATOM 982 C SER A 63 -11.779 -4.803 9.770 1.00 0.00 C ATOM 983 O SER A 63 -12.403 -4.981 10.817 1.00 0.00 O ATOM 984 CB SER A 63 -10.284 -2.870 10.363 1.00 0.00 C ATOM 985 OG SER A 63 -10.657 -2.843 11.733 1.00 0.00 O ATOM 0 H SER A 63 -9.570 -3.380 8.038 1.00 0.00 H new ATOM 0 HA SER A 63 -9.740 -4.947 10.414 1.00 0.00 H new ATOM 0 HB2 SER A 63 -9.276 -2.470 10.253 1.00 0.00 H new ATOM 0 HB3 SER A 63 -10.948 -2.220 9.793 1.00 0.00 H new ATOM 0 HG SER A 63 -10.151 -2.143 12.196 1.00 0.00 H new ATOM 991 N ASP A 64 -12.303 -5.016 8.580 1.00 0.00 N ATOM 992 CA ASP A 64 -13.626 -5.561 8.411 1.00 0.00 C ATOM 993 C ASP A 64 -13.499 -6.895 7.747 1.00 0.00 C ATOM 994 O ASP A 64 -13.254 -6.962 6.584 1.00 0.00 O ATOM 995 CB ASP A 64 -14.529 -4.640 7.585 1.00 0.00 C ATOM 996 CG ASP A 64 -15.299 -3.654 8.433 1.00 0.00 C ATOM 997 OD1 ASP A 64 -16.179 -4.095 9.211 1.00 0.00 O ATOM 998 OD2 ASP A 64 -15.063 -2.439 8.315 1.00 0.00 O ATOM 0 H ASP A 64 -11.820 -4.814 7.705 1.00 0.00 H new ATOM 0 HA ASP A 64 -14.094 -5.660 9.391 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -13.920 -4.094 6.865 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -15.232 -5.246 7.014 1.00 0.00 H new ATOM 1003 N PRO A 65 -13.690 -7.969 8.493 1.00 0.00 N ATOM 1004 CA PRO A 65 -13.482 -9.351 8.012 1.00 0.00 C ATOM 1005 C PRO A 65 -14.231 -9.638 6.728 1.00 0.00 C ATOM 1006 O PRO A 65 -13.762 -10.378 5.873 1.00 0.00 O ATOM 1007 CB PRO A 65 -14.050 -10.193 9.140 1.00 0.00 C ATOM 1008 CG PRO A 65 -13.904 -9.337 10.340 1.00 0.00 C ATOM 1009 CD PRO A 65 -14.132 -7.935 9.877 1.00 0.00 C ATOM 0 HA PRO A 65 -12.435 -9.549 7.783 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -15.094 -10.450 8.959 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -13.505 -11.131 9.251 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -14.625 -9.616 11.108 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -12.912 -9.446 10.779 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -15.181 -7.649 9.958 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -13.560 -7.218 10.466 1.00 0.00 H new ATOM 1017 N GLU A 66 -15.369 -9.016 6.585 1.00 0.00 N ATOM 1018 CA GLU A 66 -16.205 -9.218 5.429 1.00 0.00 C ATOM 1019 C GLU A 66 -15.604 -8.529 4.222 1.00 0.00 C ATOM 1020 O GLU A 66 -15.661 -9.033 3.115 1.00 0.00 O ATOM 1021 CB GLU A 66 -17.604 -8.696 5.711 1.00 0.00 C ATOM 1022 CG GLU A 66 -17.611 -7.251 6.169 1.00 0.00 C ATOM 1023 CD GLU A 66 -18.993 -6.709 6.384 1.00 0.00 C ATOM 1024 OE1 GLU A 66 -19.793 -6.717 5.424 1.00 0.00 O ATOM 1025 OE2 GLU A 66 -19.282 -6.253 7.507 1.00 0.00 O ATOM 0 H GLU A 66 -15.745 -8.355 7.265 1.00 0.00 H new ATOM 0 HA GLU A 66 -16.269 -10.284 5.212 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -18.210 -8.790 4.810 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -18.071 -9.317 6.475 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -17.046 -7.168 7.097 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -17.098 -6.638 5.427 1.00 0.00 H new ATOM 1032 N LYS A 67 -14.987 -7.401 4.468 1.00 0.00 N ATOM 1033 CA LYS A 67 -14.363 -6.617 3.448 1.00 0.00 C ATOM 1034 C LYS A 67 -12.985 -7.159 3.195 1.00 0.00 C ATOM 1035 O LYS A 67 -12.419 -7.008 2.119 1.00 0.00 O ATOM 1036 CB LYS A 67 -14.291 -5.177 3.928 1.00 0.00 C ATOM 1037 CG LYS A 67 -15.647 -4.510 4.108 1.00 0.00 C ATOM 1038 CD LYS A 67 -16.418 -4.447 2.796 1.00 0.00 C ATOM 1039 CE LYS A 67 -17.760 -3.758 2.975 1.00 0.00 C ATOM 1040 NZ LYS A 67 -18.544 -3.723 1.712 1.00 0.00 N ATOM 0 H LYS A 67 -14.906 -7.000 5.402 1.00 0.00 H new ATOM 0 HA LYS A 67 -14.933 -6.659 2.520 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -13.756 -5.149 4.877 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -13.705 -4.597 3.215 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -16.229 -5.061 4.847 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -15.509 -3.502 4.498 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -15.829 -3.912 2.051 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -16.573 -5.456 2.415 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -18.334 -4.277 3.743 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -17.600 -2.740 3.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -19.452 -3.244 1.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -18.009 -3.206 0.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -18.720 -4.695 1.386 1.00 0.00 H new ATOM 1054 N ARG A 68 -12.471 -7.799 4.208 1.00 0.00 N ATOM 1055 CA ARG A 68 -11.188 -8.402 4.198 1.00 0.00 C ATOM 1056 C ARG A 68 -11.246 -9.633 3.317 1.00 0.00 C ATOM 1057 O ARG A 68 -10.355 -9.882 2.533 1.00 0.00 O ATOM 1058 CB ARG A 68 -10.831 -8.803 5.625 1.00 0.00 C ATOM 1059 CG ARG A 68 -9.350 -8.920 5.888 1.00 0.00 C ATOM 1060 CD ARG A 68 -9.031 -10.190 6.665 1.00 0.00 C ATOM 1061 NE ARG A 68 -9.611 -11.379 6.033 1.00 0.00 N ATOM 1062 CZ ARG A 68 -8.921 -12.301 5.364 1.00 0.00 C ATOM 1063 NH1 ARG A 68 -7.598 -12.204 5.251 1.00 0.00 N ATOM 1064 NH2 ARG A 68 -9.556 -13.323 4.812 1.00 0.00 N ATOM 0 H ARG A 68 -12.963 -7.914 5.094 1.00 0.00 H new ATOM 0 HA ARG A 68 -10.436 -7.712 3.815 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -11.253 -8.069 6.312 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -11.304 -9.759 5.850 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -8.808 -8.923 4.942 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -9.007 -8.051 6.449 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -7.950 -10.309 6.738 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -9.411 -10.098 7.682 1.00 0.00 H new ATOM 0 HE ARG A 68 -10.619 -11.510 6.112 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -7.106 -11.420 5.678 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -7.077 -12.914 4.737 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -10.569 -13.402 4.900 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -9.032 -14.032 4.299 1.00 0.00 H new ATOM 1078 N ASP A 69 -12.331 -10.407 3.475 1.00 0.00 N ATOM 1079 CA ASP A 69 -12.561 -11.598 2.665 1.00 0.00 C ATOM 1080 C ASP A 69 -12.802 -11.207 1.247 1.00 0.00 C ATOM 1081 O ASP A 69 -12.311 -11.842 0.326 1.00 0.00 O ATOM 1082 CB ASP A 69 -13.733 -12.426 3.198 1.00 0.00 C ATOM 1083 CG ASP A 69 -13.406 -13.127 4.497 1.00 0.00 C ATOM 1084 OD1 ASP A 69 -12.213 -13.429 4.731 1.00 0.00 O ATOM 1085 OD2 ASP A 69 -14.327 -13.378 5.294 1.00 0.00 O ATOM 0 H ASP A 69 -13.062 -10.222 4.162 1.00 0.00 H new ATOM 0 HA ASP A 69 -11.669 -12.222 2.720 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -14.595 -11.775 3.347 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -14.019 -13.167 2.451 1.00 0.00 H new ATOM 1090 N ILE A 70 -13.548 -10.135 1.078 1.00 0.00 N ATOM 1091 CA ILE A 70 -13.807 -9.588 -0.227 1.00 0.00 C ATOM 1092 C ILE A 70 -12.493 -9.173 -0.874 1.00 0.00 C ATOM 1093 O ILE A 70 -12.212 -9.532 -2.023 1.00 0.00 O ATOM 1094 CB ILE A 70 -14.769 -8.385 -0.124 1.00 0.00 C ATOM 1095 CG1 ILE A 70 -16.191 -8.853 0.232 1.00 0.00 C ATOM 1096 CG2 ILE A 70 -14.768 -7.545 -1.398 1.00 0.00 C ATOM 1097 CD1 ILE A 70 -16.812 -9.790 -0.788 1.00 0.00 C ATOM 0 H ILE A 70 -13.988 -9.623 1.843 1.00 0.00 H new ATOM 0 HA ILE A 70 -14.282 -10.348 -0.848 1.00 0.00 H new ATOM 0 HB ILE A 70 -14.408 -7.745 0.681 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -16.165 -9.354 1.200 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -16.832 -7.978 0.343 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -15.458 -6.709 -1.283 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -13.764 -7.164 -1.582 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -15.082 -8.161 -2.240 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -17.813 -10.072 -0.461 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -16.874 -9.288 -1.753 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -16.196 -10.684 -0.883 1.00 0.00 H new ATOM 1109 N TYR A 71 -11.668 -8.461 -0.115 1.00 0.00 N ATOM 1110 CA TYR A 71 -10.350 -8.073 -0.592 1.00 0.00 C ATOM 1111 C TYR A 71 -9.520 -9.309 -0.921 1.00 0.00 C ATOM 1112 O TYR A 71 -8.880 -9.372 -1.948 1.00 0.00 O ATOM 1113 CB TYR A 71 -9.612 -7.193 0.423 1.00 0.00 C ATOM 1114 CG TYR A 71 -8.202 -6.853 -0.010 1.00 0.00 C ATOM 1115 CD1 TYR A 71 -7.965 -5.898 -0.991 1.00 0.00 C ATOM 1116 CD2 TYR A 71 -7.111 -7.505 0.546 1.00 0.00 C ATOM 1117 CE1 TYR A 71 -6.680 -5.608 -1.403 1.00 0.00 C ATOM 1118 CE2 TYR A 71 -5.826 -7.215 0.142 1.00 0.00 C ATOM 1119 CZ TYR A 71 -5.615 -6.269 -0.831 1.00 0.00 C ATOM 1120 OH TYR A 71 -4.329 -5.998 -1.248 1.00 0.00 O ATOM 0 H TYR A 71 -11.889 -8.143 0.829 1.00 0.00 H new ATOM 0 HA TYR A 71 -10.490 -7.484 -1.498 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -10.173 -6.271 0.573 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -9.578 -7.706 1.384 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -8.798 -5.375 -1.437 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -7.272 -8.253 1.309 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -6.510 -4.867 -2.170 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -4.988 -7.730 0.589 1.00 0.00 H new ATOM 0 HH TYR A 71 -3.698 -6.550 -0.741 1.00 0.00 H new ATOM 1130 N ASP A 72 -9.560 -10.281 -0.027 1.00 0.00 N ATOM 1131 CA ASP A 72 -8.814 -11.534 -0.159 1.00 0.00 C ATOM 1132 C ASP A 72 -9.147 -12.265 -1.462 1.00 0.00 C ATOM 1133 O ASP A 72 -8.259 -12.801 -2.115 1.00 0.00 O ATOM 1134 CB ASP A 72 -9.120 -12.429 1.049 1.00 0.00 C ATOM 1135 CG ASP A 72 -8.435 -13.777 0.999 1.00 0.00 C ATOM 1136 OD1 ASP A 72 -7.194 -13.827 1.101 1.00 0.00 O ATOM 1137 OD2 ASP A 72 -9.148 -14.802 0.902 1.00 0.00 O ATOM 0 H ASP A 72 -10.118 -10.228 0.825 1.00 0.00 H new ATOM 0 HA ASP A 72 -7.750 -11.298 -0.189 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -8.817 -11.911 1.959 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -10.197 -12.581 1.113 1.00 0.00 H new ATOM 1142 N GLN A 73 -10.421 -12.284 -1.836 1.00 0.00 N ATOM 1143 CA GLN A 73 -10.853 -12.930 -3.063 1.00 0.00 C ATOM 1144 C GLN A 73 -10.223 -12.260 -4.263 1.00 0.00 C ATOM 1145 O GLN A 73 -9.737 -12.923 -5.186 1.00 0.00 O ATOM 1146 CB GLN A 73 -12.343 -12.794 -3.158 1.00 0.00 C ATOM 1147 CG GLN A 73 -13.040 -13.448 -2.014 1.00 0.00 C ATOM 1148 CD GLN A 73 -12.861 -14.942 -1.996 1.00 0.00 C ATOM 1149 OE1 GLN A 73 -12.792 -15.586 -3.044 1.00 0.00 O ATOM 1150 NE2 GLN A 73 -12.734 -15.495 -0.813 1.00 0.00 N ATOM 0 H GLN A 73 -11.176 -11.855 -1.300 1.00 0.00 H new ATOM 0 HA GLN A 73 -10.553 -13.978 -3.050 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -12.609 -11.737 -3.188 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -12.688 -13.236 -4.093 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -12.664 -13.031 -1.080 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -14.104 -13.215 -2.062 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -12.798 -14.921 0.028 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -12.571 -16.499 -0.734 1.00 0.00 H new ATOM 1159 N PHE A 74 -10.241 -10.941 -4.252 1.00 0.00 N ATOM 1160 CA PHE A 74 -9.625 -10.166 -5.319 1.00 0.00 C ATOM 1161 C PHE A 74 -8.100 -10.203 -5.218 1.00 0.00 C ATOM 1162 O PHE A 74 -7.399 -10.161 -6.226 1.00 0.00 O ATOM 1163 CB PHE A 74 -10.137 -8.723 -5.311 1.00 0.00 C ATOM 1164 CG PHE A 74 -11.578 -8.600 -5.722 1.00 0.00 C ATOM 1165 CD1 PHE A 74 -12.588 -8.628 -4.779 1.00 0.00 C ATOM 1166 CD2 PHE A 74 -11.921 -8.464 -7.056 1.00 0.00 C ATOM 1167 CE1 PHE A 74 -13.911 -8.525 -5.154 1.00 0.00 C ATOM 1168 CE2 PHE A 74 -13.243 -8.358 -7.438 1.00 0.00 C ATOM 1169 CZ PHE A 74 -14.239 -8.389 -6.484 1.00 0.00 C ATOM 0 H PHE A 74 -10.674 -10.381 -3.518 1.00 0.00 H new ATOM 0 HA PHE A 74 -9.908 -10.621 -6.268 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -10.015 -8.307 -4.311 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -9.523 -8.123 -5.982 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -12.338 -8.732 -3.734 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -11.145 -8.441 -7.807 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -14.689 -8.551 -4.405 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -13.497 -8.251 -8.482 1.00 0.00 H new ATOM 0 HZ PHE A 74 -15.274 -8.307 -6.780 1.00 0.00 H new ATOM 1179 N GLY A 75 -7.602 -10.316 -4.006 1.00 0.00 N ATOM 1180 CA GLY A 75 -6.169 -10.357 -3.782 1.00 0.00 C ATOM 1181 C GLY A 75 -5.593 -8.986 -3.457 1.00 0.00 C ATOM 1182 O GLY A 75 -4.618 -8.913 -2.672 1.00 0.00 O ATOM 1183 OXT GLY A 75 -6.101 -7.978 -3.994 1.00 0.00 O ATOM 0 H GLY A 75 -8.166 -10.381 -3.159 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -5.951 -11.043 -2.963 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -5.676 -10.754 -4.670 1.00 0.00 H new TER 1187 GLY A 75