USER MOD reduce.3.24.130724 H: found=0, std=0, add=608, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 608 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 37 HIS : no HE2:sc= -11.2! C(o=-11!,f=-15!) USER MOD Set 1.2: A 49 TYR OH : rot 30:sc= 0.0315 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -134:sc= 0 (180deg=-0.584) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot -63:sc= 0.618 USER MOD Single : A 8 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00949) USER MOD Single : A 12 LYS NZ :NH3+ -105:sc= 0 (180deg=-0.696) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -0.361 X(o=-0.36,f=0) USER MOD Single : A 20 TYR OH : rot 130:sc= -0.0146 USER MOD Single : A 29 SER OG : rot -139:sc= 0.584 USER MOD Single : A 31 GLN : amide:sc= -0.117 K(o=-0.12,f=-0.92) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 48:sc= 1.93 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 64:sc= 1.22 USER MOD Single : A 50 THR OG1 : rot -87:sc= 0.0687 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 170:sc= -0.0396 (180deg=-0.121) USER MOD Single : A 63 SER OG : rot 180:sc= -0.173 USER MOD Single : A 64 TYR OH : rot 156:sc= -0.941 USER MOD Single : A 66 HIS :FLIP no HE2:sc= -0.149 F(o=-1.5,f=-0.15) USER MOD Single : A 68 LYS NZ :NH3+ -138:sc= -0.633 (180deg=-3.21!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.421 12.975 12.415 1.00 0.00 N ATOM 2 CA MET A 1 -12.652 12.672 11.639 1.00 0.00 C ATOM 3 C MET A 1 -12.510 13.101 10.183 1.00 0.00 C ATOM 4 O MET A 1 -11.876 14.113 9.884 1.00 0.00 O ATOM 5 CB MET A 1 -13.830 13.398 12.292 1.00 0.00 C ATOM 6 CG MET A 1 -15.176 12.746 12.016 1.00 0.00 C ATOM 7 SD MET A 1 -16.426 13.927 11.470 1.00 0.00 S ATOM 8 CE MET A 1 -17.158 14.393 13.036 1.00 0.00 C ATOM 0 H1 MET A 1 -11.163 12.150 12.993 1.00 0.00 H new ATOM 0 H2 MET A 1 -10.643 13.195 11.760 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.594 13.792 13.035 1.00 0.00 H new ATOM 0 HA MET A 1 -12.822 11.595 11.646 1.00 0.00 H new ATOM 0 HB2 MET A 1 -13.669 13.438 13.369 1.00 0.00 H new ATOM 0 HB3 MET A 1 -13.854 14.428 11.935 1.00 0.00 H new ATOM 0 HG2 MET A 1 -15.052 11.976 11.254 1.00 0.00 H new ATOM 0 HG3 MET A 1 -15.525 12.247 12.920 1.00 0.00 H new ATOM 0 HE1 MET A 1 -17.951 15.121 12.865 1.00 0.00 H new ATOM 0 HE2 MET A 1 -17.575 13.510 13.520 1.00 0.00 H new ATOM 0 HE3 MET A 1 -16.395 14.832 13.678 1.00 0.00 H new ATOM 20 N THR A 2 -13.103 12.319 9.280 1.00 0.00 N ATOM 21 CA THR A 2 -13.049 12.605 7.845 1.00 0.00 C ATOM 22 C THR A 2 -11.648 13.029 7.412 1.00 0.00 C ATOM 23 O THR A 2 -11.313 14.213 7.426 1.00 0.00 O ATOM 24 CB THR A 2 -14.065 13.688 7.472 1.00 0.00 C ATOM 25 OG1 THR A 2 -13.873 14.115 6.137 1.00 0.00 O ATOM 26 CG2 THR A 2 -13.998 14.915 8.359 1.00 0.00 C ATOM 0 H THR A 2 -13.629 11.478 9.518 1.00 0.00 H new ATOM 0 HA THR A 2 -13.302 11.685 7.318 1.00 0.00 H new ATOM 0 HB THR A 2 -15.041 13.221 7.605 1.00 0.00 H new ATOM 0 HG1 THR A 2 -14.532 14.806 5.916 1.00 0.00 H new ATOM 0 HG21 THR A 2 -14.746 15.639 8.036 1.00 0.00 H new ATOM 0 HG22 THR A 2 -14.193 14.628 9.392 1.00 0.00 H new ATOM 0 HG23 THR A 2 -13.006 15.362 8.288 1.00 0.00 H new ATOM 34 N ARG A 3 -10.832 12.052 7.027 1.00 0.00 N ATOM 35 CA ARG A 3 -9.467 12.322 6.591 1.00 0.00 C ATOM 36 C ARG A 3 -8.998 11.272 5.589 1.00 0.00 C ATOM 37 O ARG A 3 -8.526 11.604 4.501 1.00 0.00 O ATOM 38 CB ARG A 3 -8.522 12.355 7.792 1.00 0.00 C ATOM 39 CG ARG A 3 -8.705 11.183 8.745 1.00 0.00 C ATOM 40 CD ARG A 3 -8.555 11.611 10.196 1.00 0.00 C ATOM 41 NE ARG A 3 -7.731 10.678 10.961 1.00 0.00 N ATOM 42 CZ ARG A 3 -7.537 10.767 12.276 1.00 0.00 C ATOM 43 NH1 ARG A 3 -8.102 11.745 12.973 1.00 0.00 N ATOM 44 NH2 ARG A 3 -6.772 9.876 12.894 1.00 0.00 N ATOM 0 H ARG A 3 -11.093 11.066 7.008 1.00 0.00 H new ATOM 0 HA ARG A 3 -9.455 13.296 6.102 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -7.493 12.363 7.433 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -8.676 13.285 8.339 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -9.691 10.742 8.595 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -7.972 10.409 8.516 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -8.109 12.605 10.236 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -9.541 11.685 10.656 1.00 0.00 H new ATOM 0 HE ARG A 3 -7.278 9.914 10.459 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -8.689 12.434 12.502 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -7.950 11.808 13.980 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -6.333 9.124 12.362 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -6.623 9.943 13.901 1.00 0.00 H new ATOM 58 N TRP A 4 -9.134 10.004 5.961 1.00 0.00 N ATOM 59 CA TRP A 4 -8.725 8.903 5.096 1.00 0.00 C ATOM 60 C TRP A 4 -9.733 7.760 5.165 1.00 0.00 C ATOM 61 O TRP A 4 -10.779 7.878 5.804 1.00 0.00 O ATOM 62 CB TRP A 4 -7.333 8.404 5.495 1.00 0.00 C ATOM 63 CG TRP A 4 -6.306 8.580 4.417 1.00 0.00 C ATOM 64 CD1 TRP A 4 -6.198 9.625 3.553 1.00 0.00 C ATOM 65 CD2 TRP A 4 -5.246 7.680 4.091 1.00 0.00 C ATOM 66 NE1 TRP A 4 -5.132 9.433 2.708 1.00 0.00 N ATOM 67 CE2 TRP A 4 -4.531 8.242 3.019 1.00 0.00 C ATOM 68 CE3 TRP A 4 -4.834 6.454 4.606 1.00 0.00 C ATOM 69 CZ2 TRP A 4 -3.424 7.616 2.452 1.00 0.00 C ATOM 70 CZ3 TRP A 4 -3.737 5.829 4.045 1.00 0.00 C ATOM 71 CH2 TRP A 4 -3.041 6.411 2.976 1.00 0.00 C ATOM 0 H TRP A 4 -9.525 9.713 6.857 1.00 0.00 H new ATOM 0 HA TRP A 4 -8.688 9.269 4.070 1.00 0.00 H new ATOM 0 HB2 TRP A 4 -7.006 8.937 6.388 1.00 0.00 H new ATOM 0 HB3 TRP A 4 -7.395 7.348 5.758 1.00 0.00 H new ATOM 0 HD1 TRP A 4 -6.855 10.482 3.534 1.00 0.00 H new ATOM 0 HE1 TRP A 4 -4.837 10.072 1.970 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -5.363 5.999 5.430 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -2.887 8.065 1.629 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 -3.410 4.877 4.436 1.00 0.00 H new ATOM 0 HH2 TRP A 4 -2.187 5.899 2.558 1.00 0.00 H new ATOM 82 N VAL A 5 -9.412 6.651 4.505 1.00 0.00 N ATOM 83 CA VAL A 5 -10.292 5.488 4.494 1.00 0.00 C ATOM 84 C VAL A 5 -9.533 4.222 4.889 1.00 0.00 C ATOM 85 O VAL A 5 -8.423 3.983 4.412 1.00 0.00 O ATOM 86 CB VAL A 5 -10.930 5.277 3.107 1.00 0.00 C ATOM 87 CG1 VAL A 5 -12.007 4.206 3.171 1.00 0.00 C ATOM 88 CG2 VAL A 5 -11.499 6.583 2.575 1.00 0.00 C ATOM 0 H VAL A 5 -8.550 6.534 3.972 1.00 0.00 H new ATOM 0 HA VAL A 5 -11.080 5.681 5.222 1.00 0.00 H new ATOM 0 HB VAL A 5 -10.154 4.939 2.420 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -12.446 4.071 2.182 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -11.566 3.266 3.503 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -12.783 4.511 3.873 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -11.945 6.413 1.595 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -12.261 6.954 3.261 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -10.700 7.319 2.487 1.00 0.00 H new ATOM 98 N PRO A 6 -10.120 3.392 5.772 1.00 0.00 N ATOM 99 CA PRO A 6 -9.493 2.156 6.231 1.00 0.00 C ATOM 100 C PRO A 6 -9.800 0.963 5.325 1.00 0.00 C ATOM 101 O PRO A 6 -9.753 -0.184 5.767 1.00 0.00 O ATOM 102 CB PRO A 6 -10.134 1.959 7.601 1.00 0.00 C ATOM 103 CG PRO A 6 -11.514 2.509 7.449 1.00 0.00 C ATOM 104 CD PRO A 6 -11.437 3.598 6.404 1.00 0.00 C ATOM 0 HA PRO A 6 -8.405 2.221 6.240 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -10.155 0.906 7.882 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -9.580 2.485 8.378 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -12.210 1.728 7.143 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -11.878 2.907 8.396 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -12.246 3.513 5.678 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -11.514 4.588 6.853 1.00 0.00 H new ATOM 112 N THR A 7 -10.111 1.243 4.059 1.00 0.00 N ATOM 113 CA THR A 7 -10.428 0.195 3.087 1.00 0.00 C ATOM 114 C THR A 7 -11.334 -0.874 3.693 1.00 0.00 C ATOM 115 O THR A 7 -11.004 -2.060 3.692 1.00 0.00 O ATOM 116 CB THR A 7 -9.142 -0.443 2.553 1.00 0.00 C ATOM 117 OG1 THR A 7 -9.439 -1.569 1.746 1.00 0.00 O ATOM 118 CG2 THR A 7 -8.198 -0.901 3.645 1.00 0.00 C ATOM 0 H THR A 7 -10.150 2.190 3.681 1.00 0.00 H new ATOM 0 HA THR A 7 -10.965 0.660 2.260 1.00 0.00 H new ATOM 0 HB THR A 7 -8.651 0.341 1.977 1.00 0.00 H new ATOM 0 HG1 THR A 7 -9.874 -2.257 2.292 1.00 0.00 H new ATOM 0 HG21 THR A 7 -7.309 -1.343 3.196 1.00 0.00 H new ATOM 0 HG22 THR A 7 -7.909 -0.047 4.258 1.00 0.00 H new ATOM 0 HG23 THR A 7 -8.696 -1.643 4.269 1.00 0.00 H new ATOM 126 N LYS A 8 -12.478 -0.443 4.214 1.00 0.00 N ATOM 127 CA LYS A 8 -13.434 -1.360 4.827 1.00 0.00 C ATOM 128 C LYS A 8 -13.970 -2.353 3.802 1.00 0.00 C ATOM 129 O LYS A 8 -13.730 -2.213 2.602 1.00 0.00 O ATOM 130 CB LYS A 8 -14.590 -0.579 5.454 1.00 0.00 C ATOM 131 CG LYS A 8 -15.236 -1.292 6.631 1.00 0.00 C ATOM 132 CD LYS A 8 -15.436 -0.354 7.812 1.00 0.00 C ATOM 133 CE LYS A 8 -16.751 -0.628 8.525 1.00 0.00 C ATOM 134 NZ LYS A 8 -16.779 -1.984 9.138 1.00 0.00 N ATOM 0 H LYS A 8 -12.766 0.535 4.224 1.00 0.00 H new ATOM 0 HA LYS A 8 -12.916 -1.918 5.608 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -14.224 0.393 5.785 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -15.347 -0.392 4.692 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -16.198 -1.703 6.325 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -14.612 -2.133 6.935 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -14.610 -0.469 8.513 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -15.418 0.679 7.465 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -16.908 0.123 9.299 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -17.574 -0.533 7.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -17.664 -2.106 9.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -16.723 -2.704 8.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -15.969 -2.091 9.782 1.00 0.00 H new ATOM 148 N ARG A 9 -14.698 -3.356 4.283 1.00 0.00 N ATOM 149 CA ARG A 9 -15.271 -4.374 3.409 1.00 0.00 C ATOM 150 C ARG A 9 -14.180 -5.098 2.629 1.00 0.00 C ATOM 151 O ARG A 9 -14.397 -5.535 1.498 1.00 0.00 O ATOM 152 CB ARG A 9 -16.272 -3.742 2.441 1.00 0.00 C ATOM 153 CG ARG A 9 -17.688 -3.670 2.990 1.00 0.00 C ATOM 154 CD ARG A 9 -18.562 -4.780 2.428 1.00 0.00 C ATOM 155 NE ARG A 9 -18.211 -6.087 2.979 1.00 0.00 N ATOM 156 CZ ARG A 9 -19.019 -7.145 2.949 1.00 0.00 C ATOM 157 NH1 ARG A 9 -20.222 -7.056 2.395 1.00 0.00 N ATOM 158 NH2 ARG A 9 -18.623 -8.296 3.475 1.00 0.00 N ATOM 0 H ARG A 9 -14.905 -3.486 5.273 1.00 0.00 H new ATOM 0 HA ARG A 9 -15.790 -5.101 4.033 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -15.937 -2.735 2.191 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -16.280 -4.315 1.514 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -17.662 -3.742 4.077 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -18.125 -2.702 2.745 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -19.608 -4.564 2.647 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -18.462 -4.806 1.343 1.00 0.00 H new ATOM 0 HE ARG A 9 -17.294 -6.195 3.412 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -20.532 -6.173 1.989 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -20.836 -7.870 2.375 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -17.700 -8.371 3.902 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -19.242 -9.107 3.452 1.00 0.00 H new ATOM 172 N GLU A 10 -13.006 -5.224 3.238 1.00 0.00 N ATOM 173 CA GLU A 10 -11.881 -5.896 2.601 1.00 0.00 C ATOM 174 C GLU A 10 -11.245 -6.909 3.548 1.00 0.00 C ATOM 175 O GLU A 10 -11.246 -6.724 4.765 1.00 0.00 O ATOM 176 CB GLU A 10 -10.836 -4.870 2.149 1.00 0.00 C ATOM 177 CG GLU A 10 -10.513 -4.944 0.667 1.00 0.00 C ATOM 178 CD GLU A 10 -11.261 -3.905 -0.145 1.00 0.00 C ATOM 179 OE1 GLU A 10 -10.854 -2.724 -0.118 1.00 0.00 O ATOM 180 OE2 GLU A 10 -12.253 -4.271 -0.809 1.00 0.00 O ATOM 0 H GLU A 10 -12.809 -4.869 4.174 1.00 0.00 H new ATOM 0 HA GLU A 10 -12.255 -6.430 1.728 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -11.197 -3.869 2.384 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -9.920 -5.021 2.720 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -9.441 -4.808 0.525 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -10.760 -5.938 0.294 1.00 0.00 H new ATOM 187 N GLU A 11 -10.702 -7.982 2.980 1.00 0.00 N ATOM 188 CA GLU A 11 -10.063 -9.025 3.773 1.00 0.00 C ATOM 189 C GLU A 11 -9.114 -9.856 2.914 1.00 0.00 C ATOM 190 O GLU A 11 -9.034 -11.075 3.061 1.00 0.00 O ATOM 191 CB GLU A 11 -11.118 -9.930 4.409 1.00 0.00 C ATOM 192 CG GLU A 11 -12.129 -10.478 3.416 1.00 0.00 C ATOM 193 CD GLU A 11 -13.395 -9.645 3.354 1.00 0.00 C ATOM 194 OE1 GLU A 11 -14.189 -9.699 4.317 1.00 0.00 O ATOM 195 OE2 GLU A 11 -13.593 -8.939 2.344 1.00 0.00 O ATOM 0 H GLU A 11 -10.692 -8.151 1.974 1.00 0.00 H new ATOM 0 HA GLU A 11 -9.484 -8.544 4.562 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -10.619 -10.763 4.904 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -11.646 -9.371 5.181 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -11.675 -10.518 2.426 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -12.385 -11.501 3.691 1.00 0.00 H new ATOM 202 N LYS A 12 -8.397 -9.188 2.017 1.00 0.00 N ATOM 203 CA LYS A 12 -7.455 -9.865 1.134 1.00 0.00 C ATOM 204 C LYS A 12 -6.146 -9.087 1.034 1.00 0.00 C ATOM 205 O LYS A 12 -5.964 -8.070 1.701 1.00 0.00 O ATOM 206 CB LYS A 12 -8.063 -10.040 -0.258 1.00 0.00 C ATOM 207 CG LYS A 12 -9.488 -10.572 -0.238 1.00 0.00 C ATOM 208 CD LYS A 12 -10.224 -10.238 -1.525 1.00 0.00 C ATOM 209 CE LYS A 12 -11.329 -11.243 -1.811 1.00 0.00 C ATOM 210 NZ LYS A 12 -10.936 -12.213 -2.871 1.00 0.00 N ATOM 0 H LYS A 12 -8.450 -8.178 1.882 1.00 0.00 H new ATOM 0 HA LYS A 12 -7.243 -10.847 1.557 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -8.050 -9.080 -0.774 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -7.438 -10.721 -0.835 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -9.472 -11.653 -0.096 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -10.025 -10.147 0.610 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -10.650 -9.237 -1.453 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -9.519 -10.225 -2.356 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -11.574 -11.784 -0.897 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -12.231 -10.714 -2.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -11.425 -11.975 -3.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -9.908 -12.167 -3.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -11.201 -13.175 -2.577 1.00 0.00 H new ATOM 224 N TYR A 13 -5.239 -9.577 0.195 1.00 0.00 N ATOM 225 CA TYR A 13 -3.944 -8.930 0.004 1.00 0.00 C ATOM 226 C TYR A 13 -3.820 -8.384 -1.414 1.00 0.00 C ATOM 227 O TYR A 13 -4.736 -8.516 -2.224 1.00 0.00 O ATOM 228 CB TYR A 13 -2.804 -9.916 0.281 1.00 0.00 C ATOM 229 CG TYR A 13 -3.124 -10.944 1.344 1.00 0.00 C ATOM 230 CD1 TYR A 13 -3.486 -10.556 2.628 1.00 0.00 C ATOM 231 CD2 TYR A 13 -3.064 -12.303 1.062 1.00 0.00 C ATOM 232 CE1 TYR A 13 -3.779 -11.492 3.601 1.00 0.00 C ATOM 233 CE2 TYR A 13 -3.357 -13.247 2.030 1.00 0.00 C ATOM 234 CZ TYR A 13 -3.713 -12.836 3.297 1.00 0.00 C ATOM 235 OH TYR A 13 -4.005 -13.772 4.262 1.00 0.00 O ATOM 0 H TYR A 13 -5.376 -10.419 -0.364 1.00 0.00 H new ATOM 0 HA TYR A 13 -3.874 -8.101 0.708 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -2.551 -10.433 -0.645 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -1.920 -9.357 0.586 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -3.539 -9.505 2.870 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -2.784 -12.628 0.071 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -4.058 -11.173 4.594 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -3.307 -14.300 1.795 1.00 0.00 H new ATOM 0 HH TYR A 13 -3.912 -14.671 3.884 1.00 0.00 H new ATOM 245 N GLY A 14 -2.678 -7.769 -1.707 1.00 0.00 N ATOM 246 CA GLY A 14 -2.454 -7.211 -3.027 1.00 0.00 C ATOM 247 C GLY A 14 -0.997 -7.269 -3.440 1.00 0.00 C ATOM 248 O GLY A 14 -0.130 -7.607 -2.634 1.00 0.00 O ATOM 0 H GLY A 14 -1.904 -7.648 -1.053 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -3.057 -7.754 -3.755 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -2.792 -6.175 -3.042 1.00 0.00 H new ATOM 252 N VAL A 15 -0.727 -6.936 -4.697 1.00 0.00 N ATOM 253 CA VAL A 15 0.638 -6.949 -5.213 1.00 0.00 C ATOM 254 C VAL A 15 1.023 -5.587 -5.780 1.00 0.00 C ATOM 255 O VAL A 15 0.239 -4.951 -6.484 1.00 0.00 O ATOM 256 CB VAL A 15 0.817 -8.018 -6.308 1.00 0.00 C ATOM 257 CG1 VAL A 15 2.273 -8.104 -6.745 1.00 0.00 C ATOM 258 CG2 VAL A 15 0.321 -9.370 -5.819 1.00 0.00 C ATOM 0 H VAL A 15 -1.433 -6.654 -5.377 1.00 0.00 H new ATOM 0 HA VAL A 15 1.291 -7.189 -4.374 1.00 0.00 H new ATOM 0 HB VAL A 15 0.221 -7.726 -7.173 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.376 -8.865 -7.519 1.00 0.00 H new ATOM 0 HG12 VAL A 15 2.592 -7.139 -7.140 1.00 0.00 H new ATOM 0 HG13 VAL A 15 2.895 -8.369 -5.890 1.00 0.00 H new ATOM 0 HG21 VAL A 15 0.455 -10.113 -6.605 1.00 0.00 H new ATOM 0 HG22 VAL A 15 0.888 -9.668 -4.937 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.736 -9.299 -5.563 1.00 0.00 H new ATOM 268 N ALA A 16 2.238 -5.151 -5.472 1.00 0.00 N ATOM 269 CA ALA A 16 2.736 -3.868 -5.950 1.00 0.00 C ATOM 270 C ALA A 16 3.897 -4.064 -6.917 1.00 0.00 C ATOM 271 O ALA A 16 4.926 -4.634 -6.556 1.00 0.00 O ATOM 272 CB ALA A 16 3.166 -3.002 -4.777 1.00 0.00 C ATOM 0 H ALA A 16 2.898 -5.669 -4.892 1.00 0.00 H new ATOM 0 HA ALA A 16 1.930 -3.364 -6.483 1.00 0.00 H new ATOM 0 HB1 ALA A 16 3.536 -2.046 -5.147 1.00 0.00 H new ATOM 0 HB2 ALA A 16 2.314 -2.831 -4.119 1.00 0.00 H new ATOM 0 HB3 ALA A 16 3.957 -3.507 -4.222 1.00 0.00 H new ATOM 278 N PHE A 17 3.733 -3.588 -8.148 1.00 0.00 N ATOM 279 CA PHE A 17 4.781 -3.719 -9.153 1.00 0.00 C ATOM 280 C PHE A 17 5.384 -2.361 -9.495 1.00 0.00 C ATOM 281 O PHE A 17 4.896 -1.657 -10.378 1.00 0.00 O ATOM 282 CB PHE A 17 4.227 -4.377 -10.419 1.00 0.00 C ATOM 283 CG PHE A 17 2.959 -3.747 -10.922 1.00 0.00 C ATOM 284 CD1 PHE A 17 1.735 -4.081 -10.365 1.00 0.00 C ATOM 285 CD2 PHE A 17 2.991 -2.823 -11.954 1.00 0.00 C ATOM 286 CE1 PHE A 17 0.567 -3.504 -10.825 1.00 0.00 C ATOM 287 CE2 PHE A 17 1.826 -2.242 -12.419 1.00 0.00 C ATOM 288 CZ PHE A 17 0.613 -2.584 -11.854 1.00 0.00 C ATOM 0 H PHE A 17 2.891 -3.112 -8.471 1.00 0.00 H new ATOM 0 HA PHE A 17 5.567 -4.350 -8.738 1.00 0.00 H new ATOM 0 HB2 PHE A 17 4.982 -4.328 -11.203 1.00 0.00 H new ATOM 0 HB3 PHE A 17 4.043 -5.433 -10.219 1.00 0.00 H new ATOM 0 HD1 PHE A 17 1.694 -4.801 -9.561 1.00 0.00 H new ATOM 0 HD2 PHE A 17 3.937 -2.554 -12.400 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -0.380 -3.772 -10.381 1.00 0.00 H new ATOM 0 HE2 PHE A 17 1.864 -1.522 -13.223 1.00 0.00 H new ATOM 0 HZ PHE A 17 -0.299 -2.132 -12.217 1.00 0.00 H new ATOM 298 N TYR A 18 6.454 -2.006 -8.792 1.00 0.00 N ATOM 299 CA TYR A 18 7.136 -0.738 -9.022 1.00 0.00 C ATOM 300 C TYR A 18 8.547 -0.764 -8.446 1.00 0.00 C ATOM 301 O TYR A 18 8.931 -1.709 -7.758 1.00 0.00 O ATOM 302 CB TYR A 18 6.340 0.415 -8.408 1.00 0.00 C ATOM 303 CG TYR A 18 6.169 1.597 -9.336 1.00 0.00 C ATOM 304 CD1 TYR A 18 5.126 1.639 -10.252 1.00 0.00 C ATOM 305 CD2 TYR A 18 7.053 2.668 -9.297 1.00 0.00 C ATOM 306 CE1 TYR A 18 4.965 2.716 -11.103 1.00 0.00 C ATOM 307 CE2 TYR A 18 6.899 3.750 -10.144 1.00 0.00 C ATOM 308 CZ TYR A 18 5.855 3.768 -11.045 1.00 0.00 C ATOM 309 OH TYR A 18 5.699 4.842 -11.890 1.00 0.00 O ATOM 0 H TYR A 18 6.868 -2.580 -8.057 1.00 0.00 H new ATOM 0 HA TYR A 18 7.208 -0.585 -10.099 1.00 0.00 H new ATOM 0 HB2 TYR A 18 5.356 0.050 -8.114 1.00 0.00 H new ATOM 0 HB3 TYR A 18 6.841 0.747 -7.499 1.00 0.00 H new ATOM 0 HD1 TYR A 18 4.429 0.816 -10.300 1.00 0.00 H new ATOM 0 HD2 TYR A 18 7.873 2.655 -8.594 1.00 0.00 H new ATOM 0 HE1 TYR A 18 4.148 2.734 -11.809 1.00 0.00 H new ATOM 0 HE2 TYR A 18 7.593 4.577 -10.100 1.00 0.00 H new ATOM 0 HH TYR A 18 6.408 5.497 -11.721 1.00 0.00 H new ATOM 319 N ASN A 19 9.309 0.287 -8.720 1.00 0.00 N ATOM 320 CA ASN A 19 10.673 0.397 -8.219 1.00 0.00 C ATOM 321 C ASN A 19 10.795 1.589 -7.272 1.00 0.00 C ATOM 322 O ASN A 19 11.646 2.460 -7.456 1.00 0.00 O ATOM 323 CB ASN A 19 11.658 0.545 -9.381 1.00 0.00 C ATOM 324 CG ASN A 19 11.698 -0.686 -10.266 1.00 0.00 C ATOM 325 OD1 ASN A 19 12.483 -1.605 -10.037 1.00 0.00 O ATOM 326 ND2 ASN A 19 10.848 -0.708 -11.286 1.00 0.00 N ATOM 0 H ASN A 19 9.005 1.078 -9.288 1.00 0.00 H new ATOM 0 HA ASN A 19 10.914 -0.513 -7.670 1.00 0.00 H new ATOM 0 HB2 ASN A 19 11.380 1.412 -9.981 1.00 0.00 H new ATOM 0 HB3 ASN A 19 12.655 0.738 -8.986 1.00 0.00 H new ATOM 0 HD21 ASN A 19 10.829 -1.509 -11.917 1.00 0.00 H new ATOM 0 HD22 ASN A 19 10.214 0.076 -11.439 1.00 0.00 H new ATOM 333 N TYR A 20 9.926 1.622 -6.266 1.00 0.00 N ATOM 334 CA TYR A 20 9.920 2.710 -5.294 1.00 0.00 C ATOM 335 C TYR A 20 10.881 2.429 -4.143 1.00 0.00 C ATOM 336 O TYR A 20 11.023 1.288 -3.702 1.00 0.00 O ATOM 337 CB TYR A 20 8.502 2.921 -4.752 1.00 0.00 C ATOM 338 CG TYR A 20 8.344 4.160 -3.896 1.00 0.00 C ATOM 339 CD1 TYR A 20 9.080 5.311 -4.153 1.00 0.00 C ATOM 340 CD2 TYR A 20 7.453 4.177 -2.830 1.00 0.00 C ATOM 341 CE1 TYR A 20 8.933 6.442 -3.372 1.00 0.00 C ATOM 342 CE2 TYR A 20 7.300 5.304 -2.045 1.00 0.00 C ATOM 343 CZ TYR A 20 8.041 6.433 -2.320 1.00 0.00 C ATOM 344 OH TYR A 20 7.891 7.557 -1.541 1.00 0.00 O ATOM 0 H TYR A 20 9.217 0.907 -6.103 1.00 0.00 H new ATOM 0 HA TYR A 20 10.253 3.616 -5.800 1.00 0.00 H new ATOM 0 HB2 TYR A 20 7.809 2.982 -5.591 1.00 0.00 H new ATOM 0 HB3 TYR A 20 8.216 2.048 -4.165 1.00 0.00 H new ATOM 0 HD1 TYR A 20 9.778 5.322 -4.977 1.00 0.00 H new ATOM 0 HD2 TYR A 20 6.870 3.295 -2.611 1.00 0.00 H new ATOM 0 HE1 TYR A 20 9.513 7.328 -3.584 1.00 0.00 H new ATOM 0 HE2 TYR A 20 6.603 5.300 -1.220 1.00 0.00 H new ATOM 0 HH TYR A 20 6.939 7.773 -1.459 1.00 0.00 H new ATOM 354 N ASP A 21 11.538 3.481 -3.662 1.00 0.00 N ATOM 355 CA ASP A 21 12.485 3.355 -2.561 1.00 0.00 C ATOM 356 C ASP A 21 12.165 4.356 -1.455 1.00 0.00 C ATOM 357 O ASP A 21 12.198 5.567 -1.674 1.00 0.00 O ATOM 358 CB ASP A 21 13.914 3.571 -3.061 1.00 0.00 C ATOM 359 CG ASP A 21 14.917 2.682 -2.353 1.00 0.00 C ATOM 360 OD1 ASP A 21 14.544 1.552 -1.975 1.00 0.00 O ATOM 361 OD2 ASP A 21 16.074 3.117 -2.175 1.00 0.00 O ATOM 0 H ASP A 21 11.431 4.431 -4.019 1.00 0.00 H new ATOM 0 HA ASP A 21 12.399 2.348 -2.154 1.00 0.00 H new ATOM 0 HB2 ASP A 21 13.954 3.376 -4.133 1.00 0.00 H new ATOM 0 HB3 ASP A 21 14.192 4.615 -2.916 1.00 0.00 H new ATOM 366 N ALA A 22 11.852 3.843 -0.270 1.00 0.00 N ATOM 367 CA ALA A 22 11.524 4.694 0.867 1.00 0.00 C ATOM 368 C ALA A 22 12.735 5.501 1.318 1.00 0.00 C ATOM 369 O ALA A 22 13.859 4.998 1.336 1.00 0.00 O ATOM 370 CB ALA A 22 10.992 3.854 2.019 1.00 0.00 C ATOM 0 H ALA A 22 11.819 2.843 -0.072 1.00 0.00 H new ATOM 0 HA ALA A 22 10.750 5.394 0.552 1.00 0.00 H new ATOM 0 HB1 ALA A 22 10.751 4.503 2.861 1.00 0.00 H new ATOM 0 HB2 ALA A 22 10.094 3.326 1.699 1.00 0.00 H new ATOM 0 HB3 ALA A 22 11.749 3.131 2.323 1.00 0.00 H new ATOM 376 N ARG A 23 12.497 6.755 1.686 1.00 0.00 N ATOM 377 CA ARG A 23 13.566 7.634 2.142 1.00 0.00 C ATOM 378 C ARG A 23 13.609 7.698 3.668 1.00 0.00 C ATOM 379 O ARG A 23 14.629 8.068 4.253 1.00 0.00 O ATOM 380 CB ARG A 23 13.380 9.040 1.567 1.00 0.00 C ATOM 381 CG ARG A 23 14.683 9.711 1.165 1.00 0.00 C ATOM 382 CD ARG A 23 14.640 11.209 1.421 1.00 0.00 C ATOM 383 NE ARG A 23 15.783 11.898 0.827 1.00 0.00 N ATOM 384 CZ ARG A 23 17.025 11.816 1.299 1.00 0.00 C ATOM 385 NH1 ARG A 23 17.288 11.077 2.370 1.00 0.00 N ATOM 386 NH2 ARG A 23 18.008 12.475 0.699 1.00 0.00 N ATOM 0 H ARG A 23 11.572 7.185 1.677 1.00 0.00 H new ATOM 0 HA ARG A 23 14.512 7.225 1.787 1.00 0.00 H new ATOM 0 HB2 ARG A 23 12.727 8.984 0.696 1.00 0.00 H new ATOM 0 HB3 ARG A 23 12.874 9.661 2.306 1.00 0.00 H new ATOM 0 HG2 ARG A 23 15.508 9.269 1.723 1.00 0.00 H new ATOM 0 HG3 ARG A 23 14.878 9.527 0.108 1.00 0.00 H new ATOM 0 HD2 ARG A 23 13.717 11.620 1.013 1.00 0.00 H new ATOM 0 HD3 ARG A 23 14.624 11.393 2.495 1.00 0.00 H new ATOM 0 HE ARG A 23 15.620 12.476 0.002 1.00 0.00 H new ATOM 0 HH11 ARG A 23 16.536 10.568 2.836 1.00 0.00 H new ATOM 0 HH12 ARG A 23 18.242 11.018 2.727 1.00 0.00 H new ATOM 0 HH21 ARG A 23 17.812 13.045 -0.124 1.00 0.00 H new ATOM 0 HH22 ARG A 23 18.960 12.412 1.061 1.00 0.00 H new ATOM 400 N GLY A 24 12.500 7.337 4.307 1.00 0.00 N ATOM 401 CA GLY A 24 12.439 7.361 5.757 1.00 0.00 C ATOM 402 C GLY A 24 11.492 6.316 6.313 1.00 0.00 C ATOM 403 O GLY A 24 11.005 5.457 5.579 1.00 0.00 O ATOM 0 H GLY A 24 11.644 7.029 3.847 1.00 0.00 H new ATOM 0 HA2 GLY A 24 13.437 7.195 6.163 1.00 0.00 H new ATOM 0 HA3 GLY A 24 12.120 8.349 6.088 1.00 0.00 H new ATOM 407 N ALA A 25 11.232 6.390 7.615 1.00 0.00 N ATOM 408 CA ALA A 25 10.339 5.442 8.270 1.00 0.00 C ATOM 409 C ALA A 25 8.886 5.695 7.879 1.00 0.00 C ATOM 410 O ALA A 25 8.075 4.770 7.838 1.00 0.00 O ATOM 411 CB ALA A 25 10.501 5.520 9.781 1.00 0.00 C ATOM 0 H ALA A 25 11.627 7.096 8.236 1.00 0.00 H new ATOM 0 HA ALA A 25 10.609 4.439 7.938 1.00 0.00 H new ATOM 0 HB1 ALA A 25 9.828 4.807 10.256 1.00 0.00 H new ATOM 0 HB2 ALA A 25 11.530 5.282 10.049 1.00 0.00 H new ATOM 0 HB3 ALA A 25 10.261 6.527 10.121 1.00 0.00 H new ATOM 417 N ASP A 26 8.564 6.953 7.593 1.00 0.00 N ATOM 418 CA ASP A 26 7.210 7.327 7.206 1.00 0.00 C ATOM 419 C ASP A 26 6.773 6.575 5.953 1.00 0.00 C ATOM 420 O ASP A 26 5.593 6.269 5.781 1.00 0.00 O ATOM 421 CB ASP A 26 7.124 8.837 6.970 1.00 0.00 C ATOM 422 CG ASP A 26 6.173 9.521 7.933 1.00 0.00 C ATOM 423 OD1 ASP A 26 5.060 8.994 8.143 1.00 0.00 O ATOM 424 OD2 ASP A 26 6.541 10.584 8.477 1.00 0.00 O ATOM 0 H ASP A 26 9.224 7.730 7.622 1.00 0.00 H new ATOM 0 HA ASP A 26 6.538 7.056 8.020 1.00 0.00 H new ATOM 0 HB2 ASP A 26 8.117 9.275 7.072 1.00 0.00 H new ATOM 0 HB3 ASP A 26 6.797 9.024 5.947 1.00 0.00 H new ATOM 429 N GLU A 27 7.731 6.282 5.079 1.00 0.00 N ATOM 430 CA GLU A 27 7.444 5.568 3.841 1.00 0.00 C ATOM 431 C GLU A 27 8.057 4.172 3.865 1.00 0.00 C ATOM 432 O GLU A 27 8.784 3.816 4.793 1.00 0.00 O ATOM 433 CB GLU A 27 7.975 6.355 2.640 1.00 0.00 C ATOM 434 CG GLU A 27 6.882 6.855 1.708 1.00 0.00 C ATOM 435 CD GLU A 27 6.662 8.351 1.815 1.00 0.00 C ATOM 436 OE1 GLU A 27 6.331 8.825 2.922 1.00 0.00 O ATOM 437 OE2 GLU A 27 6.823 9.048 0.791 1.00 0.00 O ATOM 0 H GLU A 27 8.713 6.528 5.206 1.00 0.00 H new ATOM 0 HA GLU A 27 6.363 5.467 3.749 1.00 0.00 H new ATOM 0 HB2 GLU A 27 8.551 7.207 3.001 1.00 0.00 H new ATOM 0 HB3 GLU A 27 8.660 5.722 2.076 1.00 0.00 H new ATOM 0 HG2 GLU A 27 7.143 6.603 0.680 1.00 0.00 H new ATOM 0 HG3 GLU A 27 5.950 6.337 1.937 1.00 0.00 H new ATOM 444 N LEU A 28 7.759 3.382 2.837 1.00 0.00 N ATOM 445 CA LEU A 28 8.281 2.025 2.739 1.00 0.00 C ATOM 446 C LEU A 28 8.672 1.697 1.302 1.00 0.00 C ATOM 447 O LEU A 28 7.892 1.905 0.372 1.00 0.00 O ATOM 448 CB LEU A 28 7.242 1.019 3.240 1.00 0.00 C ATOM 449 CG LEU A 28 7.728 -0.431 3.321 1.00 0.00 C ATOM 450 CD1 LEU A 28 7.432 -1.021 4.692 1.00 0.00 C ATOM 451 CD2 LEU A 28 7.086 -1.272 2.228 1.00 0.00 C ATOM 0 H LEU A 28 7.159 3.660 2.061 1.00 0.00 H new ATOM 0 HA LEU A 28 9.172 1.958 3.364 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.906 1.329 4.230 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.374 1.059 2.582 1.00 0.00 H new ATOM 0 HG LEU A 28 8.808 -0.438 3.171 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.785 -2.052 4.729 1.00 0.00 H new ATOM 0 HD12 LEU A 28 7.941 -0.436 5.458 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.357 -0.999 4.873 1.00 0.00 H new ATOM 0 HD21 LEU A 28 7.444 -2.299 2.302 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.002 -1.256 2.345 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.351 -0.865 1.252 1.00 0.00 H new ATOM 463 N SER A 29 9.886 1.186 1.128 1.00 0.00 N ATOM 464 CA SER A 29 10.385 0.830 -0.195 1.00 0.00 C ATOM 465 C SER A 29 9.512 -0.241 -0.838 1.00 0.00 C ATOM 466 O SER A 29 9.275 -1.297 -0.252 1.00 0.00 O ATOM 467 CB SER A 29 11.830 0.335 -0.101 1.00 0.00 C ATOM 468 OG SER A 29 12.745 1.415 -0.157 1.00 0.00 O ATOM 0 H SER A 29 10.543 1.009 1.888 1.00 0.00 H new ATOM 0 HA SER A 29 10.352 1.723 -0.819 1.00 0.00 H new ATOM 0 HB2 SER A 29 11.969 -0.215 0.830 1.00 0.00 H new ATOM 0 HB3 SER A 29 12.033 -0.360 -0.916 1.00 0.00 H new ATOM 0 HG SER A 29 13.513 1.164 -0.711 1.00 0.00 H new ATOM 474 N LEU A 30 9.036 0.038 -2.047 1.00 0.00 N ATOM 475 CA LEU A 30 8.189 -0.906 -2.769 1.00 0.00 C ATOM 476 C LEU A 30 8.931 -1.501 -3.961 1.00 0.00 C ATOM 477 O LEU A 30 9.520 -0.776 -4.764 1.00 0.00 O ATOM 478 CB LEU A 30 6.904 -0.216 -3.238 1.00 0.00 C ATOM 479 CG LEU A 30 5.605 -0.859 -2.749 1.00 0.00 C ATOM 480 CD1 LEU A 30 5.612 -2.357 -3.015 1.00 0.00 C ATOM 481 CD2 LEU A 30 5.399 -0.581 -1.268 1.00 0.00 C ATOM 0 H LEU A 30 9.221 0.908 -2.547 1.00 0.00 H new ATOM 0 HA LEU A 30 7.927 -1.717 -2.089 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.925 0.822 -2.905 1.00 0.00 H new ATOM 0 HB3 LEU A 30 6.896 -0.201 -4.328 1.00 0.00 H new ATOM 0 HG LEU A 30 4.776 -0.419 -3.302 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.679 -2.794 -2.659 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.712 -2.536 -4.086 1.00 0.00 H new ATOM 0 HD13 LEU A 30 6.450 -2.816 -2.491 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.470 -1.045 -0.936 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.234 -0.993 -0.701 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.345 0.495 -1.104 1.00 0.00 H new ATOM 493 N GLN A 31 8.897 -2.826 -4.069 1.00 0.00 N ATOM 494 CA GLN A 31 9.566 -3.520 -5.163 1.00 0.00 C ATOM 495 C GLN A 31 8.591 -4.426 -5.907 1.00 0.00 C ATOM 496 O GLN A 31 7.596 -4.882 -5.343 1.00 0.00 O ATOM 497 CB GLN A 31 10.737 -4.347 -4.629 1.00 0.00 C ATOM 498 CG GLN A 31 11.922 -3.506 -4.181 1.00 0.00 C ATOM 499 CD GLN A 31 12.680 -4.136 -3.029 1.00 0.00 C ATOM 500 OE1 GLN A 31 12.086 -4.730 -2.129 1.00 0.00 O ATOM 501 NE2 GLN A 31 14.003 -4.008 -3.052 1.00 0.00 N ATOM 0 H GLN A 31 8.414 -3.439 -3.413 1.00 0.00 H new ATOM 0 HA GLN A 31 9.944 -2.771 -5.858 1.00 0.00 H new ATOM 0 HB2 GLN A 31 10.392 -4.950 -3.789 1.00 0.00 H new ATOM 0 HB3 GLN A 31 11.066 -5.039 -5.404 1.00 0.00 H new ATOM 0 HG2 GLN A 31 12.600 -3.363 -5.022 1.00 0.00 H new ATOM 0 HG3 GLN A 31 11.570 -2.518 -3.883 1.00 0.00 H new ATOM 0 HE21 GLN A 31 14.454 -3.507 -3.818 1.00 0.00 H new ATOM 0 HE22 GLN A 31 14.567 -4.411 -2.304 1.00 0.00 H new ATOM 510 N ILE A 32 8.883 -4.682 -7.178 1.00 0.00 N ATOM 511 CA ILE A 32 8.030 -5.533 -8.000 1.00 0.00 C ATOM 512 C ILE A 32 8.088 -6.984 -7.533 1.00 0.00 C ATOM 513 O ILE A 32 9.158 -7.502 -7.212 1.00 0.00 O ATOM 514 CB ILE A 32 8.431 -5.463 -9.488 1.00 0.00 C ATOM 515 CG1 ILE A 32 8.513 -4.007 -9.948 1.00 0.00 C ATOM 516 CG2 ILE A 32 7.440 -6.238 -10.345 1.00 0.00 C ATOM 517 CD1 ILE A 32 9.299 -3.819 -11.227 1.00 0.00 C ATOM 0 H ILE A 32 9.702 -4.313 -7.661 1.00 0.00 H new ATOM 0 HA ILE A 32 7.011 -5.161 -7.891 1.00 0.00 H new ATOM 0 HB ILE A 32 9.414 -5.919 -9.604 1.00 0.00 H new ATOM 0 HG12 ILE A 32 7.503 -3.623 -10.092 1.00 0.00 H new ATOM 0 HG13 ILE A 32 8.971 -3.411 -9.159 1.00 0.00 H new ATOM 0 HG21 ILE A 32 7.739 -6.178 -11.391 1.00 0.00 H new ATOM 0 HG22 ILE A 32 7.426 -7.282 -10.031 1.00 0.00 H new ATOM 0 HG23 ILE A 32 6.444 -5.810 -10.227 1.00 0.00 H new ATOM 0 HD11 ILE A 32 9.315 -2.762 -11.492 1.00 0.00 H new ATOM 0 HD12 ILE A 32 10.320 -4.172 -11.082 1.00 0.00 H new ATOM 0 HD13 ILE A 32 8.829 -4.387 -12.030 1.00 0.00 H new ATOM 529 N GLY A 33 6.929 -7.631 -7.493 1.00 0.00 N ATOM 530 CA GLY A 33 6.866 -9.014 -7.058 1.00 0.00 C ATOM 531 C GLY A 33 6.599 -9.149 -5.569 1.00 0.00 C ATOM 532 O GLY A 33 6.468 -10.259 -5.056 1.00 0.00 O ATOM 0 H GLY A 33 6.032 -7.223 -7.754 1.00 0.00 H new ATOM 0 HA2 GLY A 33 6.081 -9.529 -7.612 1.00 0.00 H new ATOM 0 HA3 GLY A 33 7.806 -9.510 -7.301 1.00 0.00 H new ATOM 536 N ASP A 34 6.522 -8.016 -4.873 1.00 0.00 N ATOM 537 CA ASP A 34 6.272 -8.017 -3.438 1.00 0.00 C ATOM 538 C ASP A 34 4.788 -7.833 -3.138 1.00 0.00 C ATOM 539 O ASP A 34 4.129 -6.974 -3.723 1.00 0.00 O ATOM 540 CB ASP A 34 7.077 -6.904 -2.763 1.00 0.00 C ATOM 541 CG ASP A 34 8.537 -7.273 -2.584 1.00 0.00 C ATOM 542 OD1 ASP A 34 9.087 -7.963 -3.466 1.00 0.00 O ATOM 543 OD2 ASP A 34 9.128 -6.870 -1.560 1.00 0.00 O ATOM 0 H ASP A 34 6.629 -7.088 -5.282 1.00 0.00 H new ATOM 0 HA ASP A 34 6.586 -8.983 -3.042 1.00 0.00 H new ATOM 0 HB2 ASP A 34 7.006 -5.995 -3.360 1.00 0.00 H new ATOM 0 HB3 ASP A 34 6.639 -6.682 -1.790 1.00 0.00 H new ATOM 548 N THR A 35 4.271 -8.639 -2.218 1.00 0.00 N ATOM 549 CA THR A 35 2.867 -8.557 -1.833 1.00 0.00 C ATOM 550 C THR A 35 2.697 -7.617 -0.645 1.00 0.00 C ATOM 551 O THR A 35 3.537 -7.578 0.253 1.00 0.00 O ATOM 552 CB THR A 35 2.326 -9.944 -1.485 1.00 0.00 C ATOM 553 OG1 THR A 35 2.586 -10.861 -2.533 1.00 0.00 O ATOM 554 CG2 THR A 35 0.835 -9.955 -1.227 1.00 0.00 C ATOM 0 H THR A 35 4.803 -9.356 -1.725 1.00 0.00 H new ATOM 0 HA THR A 35 2.302 -8.163 -2.677 1.00 0.00 H new ATOM 0 HB THR A 35 2.841 -10.234 -0.569 1.00 0.00 H new ATOM 0 HG1 THR A 35 2.234 -11.743 -2.291 1.00 0.00 H new ATOM 0 HG21 THR A 35 0.515 -10.969 -0.986 1.00 0.00 H new ATOM 0 HG22 THR A 35 0.605 -9.293 -0.392 1.00 0.00 H new ATOM 0 HG23 THR A 35 0.309 -9.611 -2.118 1.00 0.00 H new ATOM 562 N VAL A 36 1.609 -6.853 -0.648 1.00 0.00 N ATOM 563 CA VAL A 36 1.344 -5.910 0.431 1.00 0.00 C ATOM 564 C VAL A 36 -0.099 -5.998 0.915 1.00 0.00 C ATOM 565 O VAL A 36 -1.018 -6.223 0.128 1.00 0.00 O ATOM 566 CB VAL A 36 1.630 -4.463 -0.012 1.00 0.00 C ATOM 567 CG1 VAL A 36 3.101 -4.287 -0.348 1.00 0.00 C ATOM 568 CG2 VAL A 36 0.755 -4.084 -1.199 1.00 0.00 C ATOM 0 H VAL A 36 0.901 -6.869 -1.382 1.00 0.00 H new ATOM 0 HA VAL A 36 2.011 -6.180 1.250 1.00 0.00 H new ATOM 0 HB VAL A 36 1.389 -3.796 0.816 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.283 -3.258 -0.659 1.00 0.00 H new ATOM 0 HG12 VAL A 36 3.705 -4.512 0.531 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.373 -4.964 -1.158 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.971 -3.058 -1.498 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.961 -4.756 -2.032 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.295 -4.166 -0.918 1.00 0.00 H new ATOM 578 N HIS A 37 -0.288 -5.806 2.216 1.00 0.00 N ATOM 579 CA HIS A 37 -1.618 -5.849 2.810 1.00 0.00 C ATOM 580 C HIS A 37 -2.164 -4.436 2.978 1.00 0.00 C ATOM 581 O HIS A 37 -1.698 -3.676 3.826 1.00 0.00 O ATOM 582 CB HIS A 37 -1.574 -6.559 4.164 1.00 0.00 C ATOM 583 CG HIS A 37 -1.290 -8.025 4.062 1.00 0.00 C ATOM 584 ND1 HIS A 37 -1.345 -8.881 5.142 1.00 0.00 N ATOM 585 CD2 HIS A 37 -0.946 -8.789 2.997 1.00 0.00 C ATOM 586 CE1 HIS A 37 -1.047 -10.107 4.748 1.00 0.00 C ATOM 587 NE2 HIS A 37 -0.801 -10.077 3.452 1.00 0.00 N ATOM 0 H HIS A 37 0.464 -5.619 2.879 1.00 0.00 H new ATOM 0 HA HIS A 37 -2.278 -6.406 2.145 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -0.810 -6.092 4.785 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -2.528 -6.417 4.671 1.00 0.00 H new ATOM 0 HD1 HIS A 37 -1.579 -8.610 6.097 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -0.811 -8.449 1.981 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -1.011 -10.983 5.379 1.00 0.00 H new ATOM 596 N ILE A 38 -3.148 -4.088 2.157 1.00 0.00 N ATOM 597 CA ILE A 38 -3.751 -2.762 2.204 1.00 0.00 C ATOM 598 C ILE A 38 -4.497 -2.538 3.516 1.00 0.00 C ATOM 599 O ILE A 38 -5.501 -3.194 3.794 1.00 0.00 O ATOM 600 CB ILE A 38 -4.717 -2.547 1.020 1.00 0.00 C ATOM 601 CG1 ILE A 38 -4.002 -2.834 -0.305 1.00 0.00 C ATOM 602 CG2 ILE A 38 -5.271 -1.127 1.034 1.00 0.00 C ATOM 603 CD1 ILE A 38 -4.687 -3.888 -1.146 1.00 0.00 C ATOM 0 H ILE A 38 -3.545 -4.707 1.450 1.00 0.00 H new ATOM 0 HA ILE A 38 -2.938 -2.039 2.134 1.00 0.00 H new ATOM 0 HB ILE A 38 -5.552 -3.240 1.121 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -3.934 -1.910 -0.879 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -2.981 -3.155 -0.096 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -5.950 -0.993 0.192 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -5.810 -0.956 1.966 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -4.449 -0.415 0.954 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -4.126 -4.039 -2.068 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -4.731 -4.825 -0.590 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -5.699 -3.561 -1.386 1.00 0.00 H new ATOM 615 N LEU A 39 -3.998 -1.599 4.313 1.00 0.00 N ATOM 616 CA LEU A 39 -4.610 -1.275 5.596 1.00 0.00 C ATOM 617 C LEU A 39 -5.560 -0.089 5.455 1.00 0.00 C ATOM 618 O LEU A 39 -6.629 -0.059 6.065 1.00 0.00 O ATOM 619 CB LEU A 39 -3.528 -0.958 6.632 1.00 0.00 C ATOM 620 CG LEU A 39 -4.037 -0.741 8.058 1.00 0.00 C ATOM 621 CD1 LEU A 39 -2.911 -0.940 9.060 1.00 0.00 C ATOM 622 CD2 LEU A 39 -4.642 0.647 8.200 1.00 0.00 C ATOM 0 H LEU A 39 -3.169 -1.048 4.092 1.00 0.00 H new ATOM 0 HA LEU A 39 -5.182 -2.140 5.932 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.806 -1.774 6.641 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -2.993 -0.063 6.314 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.814 -1.477 8.265 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -3.290 -0.782 10.070 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.522 -1.954 8.973 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -2.113 -0.226 8.856 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.999 0.785 9.220 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.885 1.399 7.976 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -5.476 0.753 7.506 1.00 0.00 H new ATOM 634 N GLU A 40 -5.163 0.883 4.640 1.00 0.00 N ATOM 635 CA GLU A 40 -5.974 2.071 4.406 1.00 0.00 C ATOM 636 C GLU A 40 -5.957 2.447 2.927 1.00 0.00 C ATOM 637 O GLU A 40 -4.954 2.251 2.241 1.00 0.00 O ATOM 638 CB GLU A 40 -5.462 3.242 5.247 1.00 0.00 C ATOM 639 CG GLU A 40 -5.890 3.179 6.705 1.00 0.00 C ATOM 640 CD GLU A 40 -6.694 4.392 7.131 1.00 0.00 C ATOM 641 OE1 GLU A 40 -6.077 5.423 7.473 1.00 0.00 O ATOM 642 OE2 GLU A 40 -7.940 4.311 7.122 1.00 0.00 O ATOM 0 H GLU A 40 -4.280 0.870 4.129 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.999 1.848 4.700 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -4.373 3.265 5.198 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.821 4.175 4.812 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -6.484 2.279 6.867 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -5.005 3.095 7.336 1.00 0.00 H new ATOM 649 N THR A 41 -7.071 2.984 2.438 1.00 0.00 N ATOM 650 CA THR A 41 -7.171 3.377 1.036 1.00 0.00 C ATOM 651 C THR A 41 -7.788 4.765 0.891 1.00 0.00 C ATOM 652 O THR A 41 -8.050 5.450 1.881 1.00 0.00 O ATOM 653 CB THR A 41 -8.000 2.355 0.258 1.00 0.00 C ATOM 654 OG1 THR A 41 -8.011 2.665 -1.123 1.00 0.00 O ATOM 655 CG2 THR A 41 -9.438 2.276 0.722 1.00 0.00 C ATOM 0 H THR A 41 -7.913 3.156 2.988 1.00 0.00 H new ATOM 0 HA THR A 41 -6.162 3.409 0.626 1.00 0.00 H new ATOM 0 HB THR A 41 -7.521 1.393 0.442 1.00 0.00 H new ATOM 0 HG1 THR A 41 -7.096 2.843 -1.425 1.00 0.00 H new ATOM 0 HG21 THR A 41 -9.971 1.533 0.129 1.00 0.00 H new ATOM 0 HG22 THR A 41 -9.466 1.990 1.773 1.00 0.00 H new ATOM 0 HG23 THR A 41 -9.914 3.249 0.598 1.00 0.00 H new ATOM 663 N TYR A 42 -8.014 5.175 -0.356 1.00 0.00 N ATOM 664 CA TYR A 42 -8.597 6.480 -0.643 1.00 0.00 C ATOM 665 C TYR A 42 -8.819 6.649 -2.145 1.00 0.00 C ATOM 666 O TYR A 42 -9.957 6.733 -2.610 1.00 0.00 O ATOM 667 CB TYR A 42 -7.687 7.594 -0.122 1.00 0.00 C ATOM 668 CG TYR A 42 -8.403 8.904 0.116 1.00 0.00 C ATOM 669 CD1 TYR A 42 -9.630 8.938 0.765 1.00 0.00 C ATOM 670 CD2 TYR A 42 -7.850 10.106 -0.307 1.00 0.00 C ATOM 671 CE1 TYR A 42 -10.287 10.134 0.987 1.00 0.00 C ATOM 672 CE2 TYR A 42 -8.501 11.307 -0.089 1.00 0.00 C ATOM 673 CZ TYR A 42 -9.719 11.315 0.558 1.00 0.00 C ATOM 674 OH TYR A 42 -10.370 12.507 0.776 1.00 0.00 O ATOM 0 H TYR A 42 -7.801 4.619 -1.184 1.00 0.00 H new ATOM 0 HA TYR A 42 -9.561 6.544 -0.137 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -7.226 7.268 0.810 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -6.880 7.756 -0.837 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -10.078 8.015 1.102 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -6.897 10.103 -0.814 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -11.241 10.143 1.494 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -8.058 12.233 -0.424 1.00 0.00 H new ATOM 0 HH TYR A 42 -9.835 13.243 0.413 1.00 0.00 H new ATOM 684 N GLU A 43 -7.724 6.697 -2.894 1.00 0.00 N ATOM 685 CA GLU A 43 -7.786 6.851 -4.344 1.00 0.00 C ATOM 686 C GLU A 43 -6.433 6.538 -4.971 1.00 0.00 C ATOM 687 O GLU A 43 -6.288 5.564 -5.712 1.00 0.00 O ATOM 688 CB GLU A 43 -8.216 8.274 -4.712 1.00 0.00 C ATOM 689 CG GLU A 43 -8.601 8.434 -6.173 1.00 0.00 C ATOM 690 CD GLU A 43 -10.071 8.759 -6.358 1.00 0.00 C ATOM 691 OE1 GLU A 43 -10.491 9.863 -5.949 1.00 0.00 O ATOM 692 OE2 GLU A 43 -10.801 7.911 -6.913 1.00 0.00 O ATOM 0 H GLU A 43 -6.777 6.631 -2.520 1.00 0.00 H new ATOM 0 HA GLU A 43 -8.524 6.149 -4.732 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -9.062 8.562 -4.088 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -7.402 8.962 -4.482 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -7.999 9.226 -6.619 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -8.366 7.515 -6.709 1.00 0.00 H new ATOM 699 N GLY A 44 -5.442 7.364 -4.659 1.00 0.00 N ATOM 700 CA GLY A 44 -4.103 7.163 -5.183 1.00 0.00 C ATOM 701 C GLY A 44 -3.061 7.196 -4.087 1.00 0.00 C ATOM 702 O GLY A 44 -1.929 7.633 -4.302 1.00 0.00 O ATOM 0 H GLY A 44 -5.542 8.175 -4.048 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -4.055 6.205 -5.701 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -3.881 7.935 -5.919 1.00 0.00 H new ATOM 706 N TRP A 45 -3.452 6.741 -2.902 1.00 0.00 N ATOM 707 CA TRP A 45 -2.561 6.723 -1.747 1.00 0.00 C ATOM 708 C TRP A 45 -3.088 5.753 -0.692 1.00 0.00 C ATOM 709 O TRP A 45 -4.045 6.063 0.018 1.00 0.00 O ATOM 710 CB TRP A 45 -2.460 8.132 -1.157 1.00 0.00 C ATOM 711 CG TRP A 45 -1.104 8.537 -0.641 1.00 0.00 C ATOM 712 CD1 TRP A 45 -0.842 9.653 0.103 1.00 0.00 C ATOM 713 CD2 TRP A 45 0.166 7.871 -0.815 1.00 0.00 C ATOM 714 NE1 TRP A 45 0.496 9.729 0.396 1.00 0.00 N ATOM 715 CE2 TRP A 45 1.135 8.652 -0.151 1.00 0.00 C ATOM 716 CE3 TRP A 45 0.587 6.700 -1.463 1.00 0.00 C ATOM 717 CZ2 TRP A 45 2.484 8.304 -0.116 1.00 0.00 C ATOM 718 CZ3 TRP A 45 1.926 6.360 -1.423 1.00 0.00 C ATOM 719 CH2 TRP A 45 2.859 7.159 -0.756 1.00 0.00 C ATOM 0 H TRP A 45 -4.386 6.377 -2.715 1.00 0.00 H new ATOM 0 HA TRP A 45 -1.572 6.392 -2.063 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -2.764 8.847 -1.921 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -3.177 8.214 -0.340 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -1.583 10.373 0.416 1.00 0.00 H new ATOM 0 HE1 TRP A 45 0.942 10.471 0.936 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -0.123 6.075 -1.984 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 3.207 8.919 0.399 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 2.258 5.459 -1.917 1.00 0.00 H new ATOM 0 HH2 TRP A 45 3.898 6.864 -0.747 1.00 0.00 H new ATOM 730 N TYR A 46 -2.472 4.577 -0.595 1.00 0.00 N ATOM 731 CA TYR A 46 -2.905 3.576 0.374 1.00 0.00 C ATOM 732 C TYR A 46 -1.793 3.239 1.361 1.00 0.00 C ATOM 733 O TYR A 46 -0.609 3.365 1.049 1.00 0.00 O ATOM 734 CB TYR A 46 -3.355 2.293 -0.337 1.00 0.00 C ATOM 735 CG TYR A 46 -4.261 2.520 -1.527 1.00 0.00 C ATOM 736 CD1 TYR A 46 -5.114 3.615 -1.587 1.00 0.00 C ATOM 737 CD2 TYR A 46 -4.266 1.627 -2.592 1.00 0.00 C ATOM 738 CE1 TYR A 46 -5.946 3.814 -2.673 1.00 0.00 C ATOM 739 CE2 TYR A 46 -5.094 1.819 -3.682 1.00 0.00 C ATOM 740 CZ TYR A 46 -5.932 2.914 -3.717 1.00 0.00 C ATOM 741 OH TYR A 46 -6.759 3.109 -4.799 1.00 0.00 O ATOM 0 H TYR A 46 -1.678 4.296 -1.171 1.00 0.00 H new ATOM 0 HA TYR A 46 -3.745 4.001 0.924 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -2.471 1.747 -0.668 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.872 1.657 0.381 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -5.127 4.323 -0.771 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -3.612 0.768 -2.567 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -6.604 4.670 -2.703 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -5.085 1.116 -4.502 1.00 0.00 H new ATOM 0 HH TYR A 46 -6.506 3.936 -5.259 1.00 0.00 H new ATOM 751 N ARG A 47 -2.189 2.805 2.553 1.00 0.00 N ATOM 752 CA ARG A 47 -1.239 2.440 3.596 1.00 0.00 C ATOM 753 C ARG A 47 -1.399 0.972 3.973 1.00 0.00 C ATOM 754 O ARG A 47 -2.510 0.509 4.237 1.00 0.00 O ATOM 755 CB ARG A 47 -1.444 3.319 4.832 1.00 0.00 C ATOM 756 CG ARG A 47 -0.371 3.136 5.895 1.00 0.00 C ATOM 757 CD ARG A 47 -0.977 3.004 7.284 1.00 0.00 C ATOM 758 NE ARG A 47 0.011 3.234 8.335 1.00 0.00 N ATOM 759 CZ ARG A 47 -0.279 3.254 9.634 1.00 0.00 C ATOM 760 NH1 ARG A 47 -1.527 3.058 10.046 1.00 0.00 N ATOM 761 NH2 ARG A 47 0.679 3.469 10.524 1.00 0.00 N ATOM 0 H ARG A 47 -3.167 2.697 2.821 1.00 0.00 H new ATOM 0 HA ARG A 47 -0.231 2.597 3.212 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -1.464 4.365 4.525 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -2.418 3.096 5.268 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.219 2.248 5.669 1.00 0.00 H new ATOM 0 HG3 ARG A 47 0.312 3.986 5.874 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -1.794 3.717 7.392 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -1.405 2.008 7.400 1.00 0.00 H new ATOM 0 HE ARG A 47 0.980 3.388 8.057 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -2.268 2.891 9.366 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -1.744 3.074 11.043 1.00 0.00 H new ATOM 0 HH21 ARG A 47 1.639 3.619 10.214 1.00 0.00 H new ATOM 0 HH22 ARG A 47 0.456 3.484 11.519 1.00 0.00 H new ATOM 775 N GLY A 48 -0.290 0.242 3.996 1.00 0.00 N ATOM 776 CA GLY A 48 -0.340 -1.166 4.341 1.00 0.00 C ATOM 777 C GLY A 48 0.994 -1.695 4.828 1.00 0.00 C ATOM 778 O GLY A 48 1.897 -0.922 5.148 1.00 0.00 O ATOM 0 H GLY A 48 0.641 0.599 3.782 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.092 -1.320 5.115 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.657 -1.739 3.470 1.00 0.00 H new ATOM 782 N TYR A 49 1.117 -3.016 4.886 1.00 0.00 N ATOM 783 CA TYR A 49 2.352 -3.649 5.339 1.00 0.00 C ATOM 784 C TYR A 49 2.681 -4.873 4.491 1.00 0.00 C ATOM 785 O TYR A 49 1.838 -5.748 4.293 1.00 0.00 O ATOM 786 CB TYR A 49 2.232 -4.050 6.810 1.00 0.00 C ATOM 787 CG TYR A 49 1.038 -4.932 7.102 1.00 0.00 C ATOM 788 CD1 TYR A 49 -0.217 -4.382 7.339 1.00 0.00 C ATOM 789 CD2 TYR A 49 1.165 -6.315 7.141 1.00 0.00 C ATOM 790 CE1 TYR A 49 -1.309 -5.184 7.606 1.00 0.00 C ATOM 791 CE2 TYR A 49 0.076 -7.124 7.408 1.00 0.00 C ATOM 792 CZ TYR A 49 -1.157 -6.554 7.640 1.00 0.00 C ATOM 793 OH TYR A 49 -2.242 -7.358 7.905 1.00 0.00 O ATOM 0 H TYR A 49 0.378 -3.670 4.626 1.00 0.00 H new ATOM 0 HA TYR A 49 3.162 -2.928 5.230 1.00 0.00 H new ATOM 0 HB2 TYR A 49 3.141 -4.571 7.111 1.00 0.00 H new ATOM 0 HB3 TYR A 49 2.165 -3.149 7.419 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -0.340 -3.309 7.314 1.00 0.00 H new ATOM 0 HD2 TYR A 49 2.130 -6.765 6.960 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -2.277 -4.741 7.787 1.00 0.00 H new ATOM 0 HE2 TYR A 49 0.191 -8.198 7.435 1.00 0.00 H new ATOM 0 HH TYR A 49 -3.059 -6.922 7.583 1.00 0.00 H new ATOM 803 N THR A 50 3.911 -4.928 3.994 1.00 0.00 N ATOM 804 CA THR A 50 4.352 -6.046 3.168 1.00 0.00 C ATOM 805 C THR A 50 4.364 -7.342 3.973 1.00 0.00 C ATOM 806 O THR A 50 4.344 -7.322 5.203 1.00 0.00 O ATOM 807 CB THR A 50 5.745 -5.769 2.598 1.00 0.00 C ATOM 808 OG1 THR A 50 6.413 -4.778 3.360 1.00 0.00 O ATOM 809 CG2 THR A 50 5.719 -5.300 1.159 1.00 0.00 C ATOM 0 H THR A 50 4.621 -4.212 4.148 1.00 0.00 H new ATOM 0 HA THR A 50 3.648 -6.158 2.343 1.00 0.00 H new ATOM 0 HB THR A 50 6.270 -6.723 2.645 1.00 0.00 H new ATOM 0 HG1 THR A 50 6.177 -3.890 3.020 1.00 0.00 H new ATOM 0 HG21 THR A 50 6.738 -5.122 0.816 1.00 0.00 H new ATOM 0 HG22 THR A 50 5.255 -6.064 0.536 1.00 0.00 H new ATOM 0 HG23 THR A 50 5.145 -4.376 1.088 1.00 0.00 H new ATOM 817 N LEU A 51 4.399 -8.469 3.269 1.00 0.00 N ATOM 818 CA LEU A 51 4.413 -9.775 3.916 1.00 0.00 C ATOM 819 C LEU A 51 5.790 -10.079 4.498 1.00 0.00 C ATOM 820 O LEU A 51 5.906 -10.686 5.561 1.00 0.00 O ATOM 821 CB LEU A 51 4.012 -10.865 2.921 1.00 0.00 C ATOM 822 CG LEU A 51 2.504 -11.067 2.756 1.00 0.00 C ATOM 823 CD1 LEU A 51 1.851 -11.336 4.103 1.00 0.00 C ATOM 824 CD2 LEU A 51 1.875 -9.853 2.090 1.00 0.00 C ATOM 0 H LEU A 51 4.418 -8.503 2.250 1.00 0.00 H new ATOM 0 HA LEU A 51 3.691 -9.757 4.732 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.440 -10.623 1.948 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.457 -11.808 3.239 1.00 0.00 H new ATOM 0 HG LEU A 51 2.340 -11.934 2.116 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.779 -11.477 3.966 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.282 -12.235 4.543 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.024 -10.489 4.767 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.802 -10.013 1.980 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.049 -8.970 2.705 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.322 -9.705 1.107 1.00 0.00 H new ATOM 836 N ARG A 52 6.833 -9.651 3.792 1.00 0.00 N ATOM 837 CA ARG A 52 8.204 -9.879 4.240 1.00 0.00 C ATOM 838 C ARG A 52 8.478 -9.143 5.546 1.00 0.00 C ATOM 839 O ARG A 52 9.246 -9.612 6.386 1.00 0.00 O ATOM 840 CB ARG A 52 9.196 -9.425 3.168 1.00 0.00 C ATOM 841 CG ARG A 52 9.469 -10.480 2.107 1.00 0.00 C ATOM 842 CD ARG A 52 10.769 -10.207 1.368 1.00 0.00 C ATOM 843 NE ARG A 52 11.937 -10.353 2.235 1.00 0.00 N ATOM 844 CZ ARG A 52 12.508 -9.345 2.895 1.00 0.00 C ATOM 845 NH1 ARG A 52 12.020 -8.113 2.804 1.00 0.00 N ATOM 846 NH2 ARG A 52 13.572 -9.573 3.653 1.00 0.00 N ATOM 0 H ARG A 52 6.756 -9.146 2.909 1.00 0.00 H new ATOM 0 HA ARG A 52 8.330 -10.948 4.412 1.00 0.00 H new ATOM 0 HB2 ARG A 52 8.811 -8.527 2.685 1.00 0.00 H new ATOM 0 HB3 ARG A 52 10.136 -9.151 3.647 1.00 0.00 H new ATOM 0 HG2 ARG A 52 9.515 -11.464 2.575 1.00 0.00 H new ATOM 0 HG3 ARG A 52 8.643 -10.504 1.396 1.00 0.00 H new ATOM 0 HD2 ARG A 52 10.857 -10.892 0.525 1.00 0.00 H new ATOM 0 HD3 ARG A 52 10.747 -9.197 0.958 1.00 0.00 H new ATOM 0 HE ARG A 52 12.340 -11.284 2.342 1.00 0.00 H new ATOM 0 HH11 ARG A 52 11.200 -7.931 2.225 1.00 0.00 H new ATOM 0 HH12 ARG A 52 12.465 -7.349 3.313 1.00 0.00 H new ATOM 0 HH21 ARG A 52 13.951 -10.517 3.730 1.00 0.00 H new ATOM 0 HH22 ARG A 52 14.012 -8.804 4.159 1.00 0.00 H new ATOM 860 N LYS A 53 7.844 -7.986 5.714 1.00 0.00 N ATOM 861 CA LYS A 53 8.020 -7.185 6.920 1.00 0.00 C ATOM 862 C LYS A 53 6.683 -6.639 7.409 1.00 0.00 C ATOM 863 O LYS A 53 6.254 -5.561 6.999 1.00 0.00 O ATOM 864 CB LYS A 53 8.991 -6.033 6.657 1.00 0.00 C ATOM 865 CG LYS A 53 8.624 -5.192 5.444 1.00 0.00 C ATOM 866 CD LYS A 53 9.806 -4.367 4.961 1.00 0.00 C ATOM 867 CE LYS A 53 9.503 -3.680 3.638 1.00 0.00 C ATOM 868 NZ LYS A 53 10.523 -2.647 3.304 1.00 0.00 N ATOM 0 H LYS A 53 7.204 -7.583 5.030 1.00 0.00 H new ATOM 0 HA LYS A 53 8.435 -7.828 7.696 1.00 0.00 H new ATOM 0 HB2 LYS A 53 9.026 -5.391 7.537 1.00 0.00 H new ATOM 0 HB3 LYS A 53 9.993 -6.438 6.518 1.00 0.00 H new ATOM 0 HG2 LYS A 53 8.280 -5.842 4.640 1.00 0.00 H new ATOM 0 HG3 LYS A 53 7.795 -4.530 5.696 1.00 0.00 H new ATOM 0 HD2 LYS A 53 10.059 -3.618 5.711 1.00 0.00 H new ATOM 0 HD3 LYS A 53 10.678 -5.011 4.846 1.00 0.00 H new ATOM 0 HE2 LYS A 53 9.465 -4.424 2.842 1.00 0.00 H new ATOM 0 HE3 LYS A 53 8.518 -3.216 3.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 10.282 -2.202 2.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 10.541 -1.923 4.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 11.459 -3.094 3.232 1.00 0.00 H new ATOM 882 N LYS A 54 6.029 -7.391 8.290 1.00 0.00 N ATOM 883 CA LYS A 54 4.741 -6.982 8.835 1.00 0.00 C ATOM 884 C LYS A 54 4.914 -5.867 9.863 1.00 0.00 C ATOM 885 O LYS A 54 4.043 -5.013 10.020 1.00 0.00 O ATOM 886 CB LYS A 54 4.031 -8.176 9.477 1.00 0.00 C ATOM 887 CG LYS A 54 3.545 -9.208 8.472 1.00 0.00 C ATOM 888 CD LYS A 54 2.848 -10.370 9.162 1.00 0.00 C ATOM 889 CE LYS A 54 2.225 -11.324 8.156 1.00 0.00 C ATOM 890 NZ LYS A 54 3.028 -12.568 8.000 1.00 0.00 N ATOM 0 H LYS A 54 6.371 -8.286 8.641 1.00 0.00 H new ATOM 0 HA LYS A 54 4.132 -6.605 8.014 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.711 -8.658 10.179 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.180 -7.814 10.054 1.00 0.00 H new ATOM 0 HG2 LYS A 54 2.859 -8.737 7.768 1.00 0.00 H new ATOM 0 HG3 LYS A 54 4.390 -9.581 7.893 1.00 0.00 H new ATOM 0 HD2 LYS A 54 3.565 -10.910 9.781 1.00 0.00 H new ATOM 0 HD3 LYS A 54 2.075 -9.988 9.829 1.00 0.00 H new ATOM 0 HE2 LYS A 54 1.215 -11.581 8.477 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.136 -10.826 7.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 2.570 -13.192 7.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 3.984 -12.325 7.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.092 -13.057 8.916 1.00 0.00 H new ATOM 904 N SER A 55 6.044 -5.886 10.564 1.00 0.00 N ATOM 905 CA SER A 55 6.332 -4.879 11.578 1.00 0.00 C ATOM 906 C SER A 55 6.364 -3.483 10.965 1.00 0.00 C ATOM 907 O SER A 55 5.608 -2.599 11.368 1.00 0.00 O ATOM 908 CB SER A 55 7.668 -5.179 12.259 1.00 0.00 C ATOM 909 OG SER A 55 7.618 -4.863 13.641 1.00 0.00 O ATOM 0 H SER A 55 6.775 -6.588 10.448 1.00 0.00 H new ATOM 0 HA SER A 55 5.536 -4.911 12.322 1.00 0.00 H new ATOM 0 HB2 SER A 55 7.916 -6.233 12.132 1.00 0.00 H new ATOM 0 HB3 SER A 55 8.461 -4.605 11.780 1.00 0.00 H new ATOM 0 HG SER A 55 8.483 -5.065 14.054 1.00 0.00 H new ATOM 915 N LYS A 56 7.246 -3.290 9.989 1.00 0.00 N ATOM 916 CA LYS A 56 7.378 -2.002 9.320 1.00 0.00 C ATOM 917 C LYS A 56 6.178 -1.731 8.418 1.00 0.00 C ATOM 918 O LYS A 56 5.811 -2.562 7.587 1.00 0.00 O ATOM 919 CB LYS A 56 8.671 -1.958 8.503 1.00 0.00 C ATOM 920 CG LYS A 56 9.704 -0.987 9.049 1.00 0.00 C ATOM 921 CD LYS A 56 10.772 -0.670 8.015 1.00 0.00 C ATOM 922 CE LYS A 56 11.588 0.549 8.411 1.00 0.00 C ATOM 923 NZ LYS A 56 12.558 0.936 7.350 1.00 0.00 N ATOM 0 H LYS A 56 7.880 -4.011 9.644 1.00 0.00 H new ATOM 0 HA LYS A 56 7.415 -1.225 10.084 1.00 0.00 H new ATOM 0 HB2 LYS A 56 9.105 -2.957 8.472 1.00 0.00 H new ATOM 0 HB3 LYS A 56 8.432 -1.682 7.476 1.00 0.00 H new ATOM 0 HG2 LYS A 56 9.211 -0.066 9.358 1.00 0.00 H new ATOM 0 HG3 LYS A 56 10.171 -1.412 9.937 1.00 0.00 H new ATOM 0 HD2 LYS A 56 11.433 -1.529 7.898 1.00 0.00 H new ATOM 0 HD3 LYS A 56 10.302 -0.496 7.047 1.00 0.00 H new ATOM 0 HE2 LYS A 56 10.918 1.385 8.613 1.00 0.00 H new ATOM 0 HE3 LYS A 56 12.126 0.341 9.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 13.095 1.771 7.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 13.214 0.148 7.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 12.044 1.159 6.474 1.00 0.00 H new ATOM 937 N LYS A 57 5.571 -0.559 8.585 1.00 0.00 N ATOM 938 CA LYS A 57 4.414 -0.175 7.785 1.00 0.00 C ATOM 939 C LYS A 57 4.781 0.926 6.796 1.00 0.00 C ATOM 940 O LYS A 57 5.799 1.601 6.953 1.00 0.00 O ATOM 941 CB LYS A 57 3.272 0.293 8.692 1.00 0.00 C ATOM 942 CG LYS A 57 2.191 -0.755 8.901 1.00 0.00 C ATOM 943 CD LYS A 57 1.203 -0.332 9.976 1.00 0.00 C ATOM 944 CE LYS A 57 1.474 -1.042 11.293 1.00 0.00 C ATOM 945 NZ LYS A 57 2.866 -0.815 11.771 1.00 0.00 N ATOM 0 H LYS A 57 5.862 0.141 9.268 1.00 0.00 H new ATOM 0 HA LYS A 57 4.084 -1.048 7.222 1.00 0.00 H new ATOM 0 HB2 LYS A 57 3.682 0.578 9.661 1.00 0.00 H new ATOM 0 HB3 LYS A 57 2.821 1.187 8.262 1.00 0.00 H new ATOM 0 HG2 LYS A 57 1.660 -0.923 7.964 1.00 0.00 H new ATOM 0 HG3 LYS A 57 2.651 -1.703 9.181 1.00 0.00 H new ATOM 0 HD2 LYS A 57 1.264 0.746 10.124 1.00 0.00 H new ATOM 0 HD3 LYS A 57 0.188 -0.552 9.645 1.00 0.00 H new ATOM 0 HE2 LYS A 57 0.770 -0.690 12.047 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.302 -2.111 11.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 2.961 -1.169 12.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 3.532 -1.320 11.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 3.078 0.203 11.751 1.00 0.00 H new ATOM 959 N GLY A 58 3.949 1.102 5.774 1.00 0.00 N ATOM 960 CA GLY A 58 4.210 2.123 4.775 1.00 0.00 C ATOM 961 C GLY A 58 3.018 2.373 3.873 1.00 0.00 C ATOM 962 O GLY A 58 1.934 1.839 4.100 1.00 0.00 O ATOM 0 H GLY A 58 3.101 0.557 5.620 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.485 3.052 5.274 1.00 0.00 H new ATOM 0 HA3 GLY A 58 5.064 1.822 4.168 1.00 0.00 H new ATOM 966 N ILE A 59 3.223 3.190 2.844 1.00 0.00 N ATOM 967 CA ILE A 59 2.160 3.513 1.899 1.00 0.00 C ATOM 968 C ILE A 59 2.649 3.384 0.463 1.00 0.00 C ATOM 969 O ILE A 59 3.844 3.498 0.190 1.00 0.00 O ATOM 970 CB ILE A 59 1.617 4.939 2.119 1.00 0.00 C ATOM 971 CG1 ILE A 59 2.762 5.908 2.426 1.00 0.00 C ATOM 972 CG2 ILE A 59 0.593 4.945 3.244 1.00 0.00 C ATOM 973 CD1 ILE A 59 2.303 7.329 2.674 1.00 0.00 C ATOM 0 H ILE A 59 4.116 3.640 2.644 1.00 0.00 H new ATOM 0 HA ILE A 59 1.355 2.799 2.075 1.00 0.00 H new ATOM 0 HB ILE A 59 1.127 5.270 1.203 1.00 0.00 H new ATOM 0 HG12 ILE A 59 3.303 5.552 3.302 1.00 0.00 H new ATOM 0 HG13 ILE A 59 3.465 5.902 1.593 1.00 0.00 H new ATOM 0 HG21 ILE A 59 0.218 5.958 3.389 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -0.235 4.285 2.986 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.062 4.597 4.164 1.00 0.00 H new ATOM 0 HD11 ILE A 59 3.167 7.959 2.885 1.00 0.00 H new ATOM 0 HD12 ILE A 59 1.787 7.704 1.790 1.00 0.00 H new ATOM 0 HD13 ILE A 59 1.623 7.348 3.526 1.00 0.00 H new ATOM 985 N PHE A 60 1.718 3.146 -0.454 1.00 0.00 N ATOM 986 CA PHE A 60 2.055 3.002 -1.864 1.00 0.00 C ATOM 987 C PHE A 60 0.890 3.438 -2.751 1.00 0.00 C ATOM 988 O PHE A 60 -0.273 3.224 -2.409 1.00 0.00 O ATOM 989 CB PHE A 60 2.428 1.550 -2.171 1.00 0.00 C ATOM 990 CG PHE A 60 1.394 0.559 -1.721 1.00 0.00 C ATOM 991 CD1 PHE A 60 0.155 0.502 -2.339 1.00 0.00 C ATOM 992 CD2 PHE A 60 1.659 -0.313 -0.678 1.00 0.00 C ATOM 993 CE1 PHE A 60 -0.798 -0.407 -1.926 1.00 0.00 C ATOM 994 CE2 PHE A 60 0.708 -1.225 -0.261 1.00 0.00 C ATOM 995 CZ PHE A 60 -0.522 -1.270 -0.887 1.00 0.00 C ATOM 0 H PHE A 60 0.724 3.049 -0.246 1.00 0.00 H new ATOM 0 HA PHE A 60 2.909 3.645 -2.077 1.00 0.00 H new ATOM 0 HB2 PHE A 60 2.581 1.442 -3.245 1.00 0.00 H new ATOM 0 HB3 PHE A 60 3.377 1.317 -1.689 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -0.067 1.176 -3.153 1.00 0.00 H new ATOM 0 HD2 PHE A 60 2.619 -0.280 -0.185 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -1.759 -0.442 -2.417 1.00 0.00 H new ATOM 0 HE2 PHE A 60 0.926 -1.901 0.553 1.00 0.00 H new ATOM 0 HZ PHE A 60 -1.267 -1.981 -0.563 1.00 0.00 H new ATOM 1005 N PRO A 61 1.185 4.061 -3.908 1.00 0.00 N ATOM 1006 CA PRO A 61 0.155 4.523 -4.841 1.00 0.00 C ATOM 1007 C PRO A 61 -0.562 3.361 -5.524 1.00 0.00 C ATOM 1008 O PRO A 61 0.039 2.324 -5.802 1.00 0.00 O ATOM 1009 CB PRO A 61 0.931 5.350 -5.878 1.00 0.00 C ATOM 1010 CG PRO A 61 2.296 5.540 -5.303 1.00 0.00 C ATOM 1011 CD PRO A 61 2.534 4.368 -4.398 1.00 0.00 C ATOM 0 HA PRO A 61 -0.623 5.090 -4.330 1.00 0.00 H new ATOM 0 HB2 PRO A 61 0.978 4.832 -6.836 1.00 0.00 H new ATOM 0 HB3 PRO A 61 0.445 6.309 -6.058 1.00 0.00 H new ATOM 0 HG2 PRO A 61 3.048 5.583 -6.091 1.00 0.00 H new ATOM 0 HG3 PRO A 61 2.359 6.478 -4.751 1.00 0.00 H new ATOM 0 HD2 PRO A 61 2.972 3.525 -4.933 1.00 0.00 H new ATOM 0 HD3 PRO A 61 3.214 4.617 -3.583 1.00 0.00 H new ATOM 1019 N ALA A 62 -1.851 3.545 -5.793 1.00 0.00 N ATOM 1020 CA ALA A 62 -2.656 2.515 -6.445 1.00 0.00 C ATOM 1021 C ALA A 62 -2.267 2.339 -7.914 1.00 0.00 C ATOM 1022 O ALA A 62 -2.718 1.403 -8.574 1.00 0.00 O ATOM 1023 CB ALA A 62 -4.132 2.861 -6.335 1.00 0.00 C ATOM 0 H ALA A 62 -2.362 4.399 -5.569 1.00 0.00 H new ATOM 0 HA ALA A 62 -2.465 1.571 -5.935 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -4.724 2.088 -6.824 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -4.414 2.924 -5.284 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -4.318 3.820 -6.818 1.00 0.00 H new ATOM 1029 N SER A 63 -1.442 3.249 -8.424 1.00 0.00 N ATOM 1030 CA SER A 63 -1.009 3.202 -9.817 1.00 0.00 C ATOM 1031 C SER A 63 -0.431 1.838 -10.195 1.00 0.00 C ATOM 1032 O SER A 63 -0.406 1.476 -11.372 1.00 0.00 O ATOM 1033 CB SER A 63 0.030 4.293 -10.082 1.00 0.00 C ATOM 1034 OG SER A 63 1.206 4.075 -9.323 1.00 0.00 O ATOM 0 H SER A 63 -1.059 4.030 -7.892 1.00 0.00 H new ATOM 0 HA SER A 63 -1.890 3.372 -10.436 1.00 0.00 H new ATOM 0 HB2 SER A 63 0.277 4.313 -11.143 1.00 0.00 H new ATOM 0 HB3 SER A 63 -0.391 5.268 -9.834 1.00 0.00 H new ATOM 0 HG SER A 63 1.854 4.785 -9.512 1.00 0.00 H new ATOM 1040 N TYR A 64 0.047 1.085 -9.207 1.00 0.00 N ATOM 1041 CA TYR A 64 0.630 -0.227 -9.478 1.00 0.00 C ATOM 1042 C TYR A 64 0.222 -1.262 -8.432 1.00 0.00 C ATOM 1043 O TYR A 64 1.033 -2.093 -8.024 1.00 0.00 O ATOM 1044 CB TYR A 64 2.157 -0.125 -9.536 1.00 0.00 C ATOM 1045 CG TYR A 64 2.780 0.434 -8.276 1.00 0.00 C ATOM 1046 CD1 TYR A 64 3.142 -0.401 -7.226 1.00 0.00 C ATOM 1047 CD2 TYR A 64 3.009 1.798 -8.138 1.00 0.00 C ATOM 1048 CE1 TYR A 64 3.714 0.106 -6.076 1.00 0.00 C ATOM 1049 CE2 TYR A 64 3.581 2.312 -6.991 1.00 0.00 C ATOM 1050 CZ TYR A 64 3.932 1.463 -5.962 1.00 0.00 C ATOM 1051 OH TYR A 64 4.502 1.971 -4.818 1.00 0.00 O ATOM 0 H TYR A 64 0.043 1.356 -8.224 1.00 0.00 H new ATOM 0 HA TYR A 64 0.247 -0.559 -10.443 1.00 0.00 H new ATOM 0 HB2 TYR A 64 2.571 -1.115 -9.726 1.00 0.00 H new ATOM 0 HB3 TYR A 64 2.438 0.505 -10.380 1.00 0.00 H new ATOM 0 HD1 TYR A 64 2.973 -1.464 -7.311 1.00 0.00 H new ATOM 0 HD2 TYR A 64 2.735 2.467 -8.941 1.00 0.00 H new ATOM 0 HE1 TYR A 64 3.989 -0.557 -5.269 1.00 0.00 H new ATOM 0 HE2 TYR A 64 3.753 3.374 -6.900 1.00 0.00 H new ATOM 0 HH TYR A 64 4.933 2.828 -5.020 1.00 0.00 H new ATOM 1061 N ILE A 65 -1.036 -1.223 -8.007 1.00 0.00 N ATOM 1062 CA ILE A 65 -1.526 -2.179 -7.018 1.00 0.00 C ATOM 1063 C ILE A 65 -2.564 -3.117 -7.624 1.00 0.00 C ATOM 1064 O ILE A 65 -3.514 -2.677 -8.271 1.00 0.00 O ATOM 1065 CB ILE A 65 -2.136 -1.469 -5.792 1.00 0.00 C ATOM 1066 CG1 ILE A 65 -1.130 -0.493 -5.180 1.00 0.00 C ATOM 1067 CG2 ILE A 65 -2.579 -2.492 -4.754 1.00 0.00 C ATOM 1068 CD1 ILE A 65 0.221 -1.111 -4.891 1.00 0.00 C ATOM 0 H ILE A 65 -1.730 -0.547 -8.327 1.00 0.00 H new ATOM 0 HA ILE A 65 -0.664 -2.761 -6.692 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.008 -0.904 -6.120 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -0.996 0.350 -5.858 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -1.542 -0.094 -4.253 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -3.007 -1.976 -3.895 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -3.328 -3.153 -5.191 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -1.719 -3.080 -4.433 1.00 0.00 H new ATOM 0 HD11 ILE A 65 0.880 -0.358 -4.459 1.00 0.00 H new ATOM 0 HD12 ILE A 65 0.101 -1.935 -4.188 1.00 0.00 H new ATOM 0 HD13 ILE A 65 0.656 -1.485 -5.818 1.00 0.00 H new ATOM 1080 N HIS A 66 -2.372 -4.414 -7.406 1.00 0.00 N ATOM 1081 CA HIS A 66 -3.287 -5.425 -7.924 1.00 0.00 C ATOM 1082 C HIS A 66 -3.637 -6.441 -6.841 1.00 0.00 C ATOM 1083 O HIS A 66 -2.782 -7.206 -6.395 1.00 0.00 O ATOM 1084 CB HIS A 66 -2.664 -6.136 -9.127 1.00 0.00 C ATOM 1085 CG HIS A 66 -3.552 -7.177 -9.733 1.00 0.00 C ATOM 1086 ND1 HIS A 66 -3.931 -8.394 -9.275 1.00 0.00 N flip ATOM 1087 CD2 HIS A 66 -4.164 -7.025 -10.961 1.00 0.00 C flip ATOM 1088 CE1 HIS A 66 -4.757 -8.947 -10.224 1.00 0.00 C flip ATOM 1089 NE2 HIS A 66 -4.882 -8.100 -11.230 1.00 0.00 N flip ATOM 0 H HIS A 66 -1.588 -4.791 -6.872 1.00 0.00 H new ATOM 0 HA HIS A 66 -4.203 -4.927 -8.241 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -2.415 -5.396 -9.887 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -1.729 -6.603 -8.818 1.00 0.00 H new ATOM 0 HD1 HIS A 66 -3.655 -8.821 -8.391 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -4.070 -6.161 -11.602 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -5.228 -9.917 -10.158 1.00 0.00 H new ATOM 1098 N LEU A 67 -4.897 -6.438 -6.419 1.00 0.00 N ATOM 1099 CA LEU A 67 -5.358 -7.358 -5.385 1.00 0.00 C ATOM 1100 C LEU A 67 -5.144 -8.808 -5.804 1.00 0.00 C ATOM 1101 O LEU A 67 -5.371 -9.173 -6.956 1.00 0.00 O ATOM 1102 CB LEU A 67 -6.838 -7.116 -5.085 1.00 0.00 C ATOM 1103 CG LEU A 67 -7.131 -5.887 -4.221 1.00 0.00 C ATOM 1104 CD1 LEU A 67 -6.595 -4.628 -4.886 1.00 0.00 C ATOM 1105 CD2 LEU A 67 -8.623 -5.762 -3.962 1.00 0.00 C ATOM 0 H LEU A 67 -5.617 -5.810 -6.776 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.773 -7.172 -4.484 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -7.372 -7.013 -6.029 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -7.241 -7.997 -4.585 1.00 0.00 H new ATOM 0 HG LEU A 67 -6.626 -6.010 -3.263 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -6.812 -3.764 -4.258 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -5.517 -4.718 -5.019 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -7.071 -4.499 -5.858 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -8.813 -4.883 -3.346 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -9.150 -5.661 -4.911 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -8.978 -6.652 -3.443 1.00 0.00 H new ATOM 1117 N LYS A 68 -4.703 -9.632 -4.858 1.00 0.00 N ATOM 1118 CA LYS A 68 -4.457 -11.044 -5.123 1.00 0.00 C ATOM 1119 C LYS A 68 -5.765 -11.832 -5.120 1.00 0.00 C ATOM 1120 O LYS A 68 -6.845 -11.259 -4.982 1.00 0.00 O ATOM 1121 CB LYS A 68 -3.496 -11.619 -4.081 1.00 0.00 C ATOM 1122 CG LYS A 68 -2.045 -11.222 -4.306 1.00 0.00 C ATOM 1123 CD LYS A 68 -1.431 -11.981 -5.473 1.00 0.00 C ATOM 1124 CE LYS A 68 -0.140 -12.679 -5.072 1.00 0.00 C ATOM 1125 NZ LYS A 68 0.940 -12.474 -6.077 1.00 0.00 N ATOM 0 H LYS A 68 -4.509 -9.344 -3.899 1.00 0.00 H new ATOM 0 HA LYS A 68 -4.004 -11.132 -6.110 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -3.806 -11.286 -3.090 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -3.572 -12.706 -4.090 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -1.986 -10.150 -4.497 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -1.469 -11.417 -3.401 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -2.144 -12.718 -5.843 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -1.232 -11.290 -6.292 1.00 0.00 H new ATOM 0 HE2 LYS A 68 0.190 -12.303 -4.104 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -0.327 -13.746 -4.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 1.452 -13.367 -6.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 0.522 -12.162 -6.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 1.601 -11.749 -5.733 1.00 0.00 H new ATOM 1139 N GLU A 69 -5.658 -13.148 -5.274 1.00 0.00 N ATOM 1140 CA GLU A 69 -6.833 -14.014 -5.289 1.00 0.00 C ATOM 1141 C GLU A 69 -7.258 -14.407 -3.874 1.00 0.00 C ATOM 1142 O GLU A 69 -8.174 -15.209 -3.695 1.00 0.00 O ATOM 1143 CB GLU A 69 -6.552 -15.272 -6.114 1.00 0.00 C ATOM 1144 CG GLU A 69 -7.741 -15.739 -6.937 1.00 0.00 C ATOM 1145 CD GLU A 69 -7.448 -17.004 -7.719 1.00 0.00 C ATOM 1146 OE1 GLU A 69 -6.266 -17.236 -8.050 1.00 0.00 O ATOM 1147 OE2 GLU A 69 -8.400 -17.761 -8.001 1.00 0.00 O ATOM 0 H GLU A 69 -4.771 -13.638 -5.390 1.00 0.00 H new ATOM 0 HA GLU A 69 -7.650 -13.455 -5.745 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -5.712 -15.078 -6.782 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -6.247 -16.075 -5.443 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -8.590 -15.913 -6.276 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -8.033 -14.948 -7.628 1.00 0.00 H new ATOM 1154 N ALA A 70 -6.592 -13.838 -2.870 1.00 0.00 N ATOM 1155 CA ALA A 70 -6.912 -14.137 -1.478 1.00 0.00 C ATOM 1156 C ALA A 70 -6.688 -15.613 -1.167 1.00 0.00 C ATOM 1157 O ALA A 70 -7.631 -16.403 -1.145 1.00 0.00 O ATOM 1158 CB ALA A 70 -8.347 -13.742 -1.169 1.00 0.00 C ATOM 0 H ALA A 70 -5.831 -13.170 -2.995 1.00 0.00 H new ATOM 0 HA ALA A 70 -6.243 -13.554 -0.845 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -8.571 -13.971 -0.127 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -8.475 -12.673 -1.341 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -9.025 -14.298 -1.817 1.00 0.00 H new ATOM 1164 N ILE A 71 -5.432 -15.977 -0.926 1.00 0.00 N ATOM 1165 CA ILE A 71 -5.083 -17.358 -0.614 1.00 0.00 C ATOM 1166 C ILE A 71 -4.596 -17.490 0.825 1.00 0.00 C ATOM 1167 O ILE A 71 -3.645 -16.824 1.233 1.00 0.00 O ATOM 1168 CB ILE A 71 -3.993 -17.893 -1.565 1.00 0.00 C ATOM 1169 CG1 ILE A 71 -2.719 -17.052 -1.447 1.00 0.00 C ATOM 1170 CG2 ILE A 71 -4.501 -17.902 -2.999 1.00 0.00 C ATOM 1171 CD1 ILE A 71 -1.585 -17.770 -0.747 1.00 0.00 C ATOM 0 H ILE A 71 -4.640 -15.335 -0.941 1.00 0.00 H new ATOM 0 HA ILE A 71 -5.989 -17.950 -0.744 1.00 0.00 H new ATOM 0 HB ILE A 71 -3.753 -18.917 -1.279 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -2.392 -16.759 -2.445 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -2.948 -16.135 -0.905 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -3.721 -18.282 -3.659 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -5.380 -18.543 -3.070 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -4.766 -16.888 -3.297 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -0.715 -17.116 -0.699 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -1.893 -18.039 0.263 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.329 -18.673 -1.301 1.00 0.00 H new ATOM 1183 N VAL A 72 -5.256 -18.353 1.590 1.00 0.00 N ATOM 1184 CA VAL A 72 -4.890 -18.572 2.984 1.00 0.00 C ATOM 1185 C VAL A 72 -3.896 -19.722 3.119 1.00 0.00 C ATOM 1186 O VAL A 72 -4.181 -20.851 2.724 1.00 0.00 O ATOM 1187 CB VAL A 72 -6.129 -18.866 3.854 1.00 0.00 C ATOM 1188 CG1 VAL A 72 -6.803 -20.160 3.422 1.00 0.00 C ATOM 1189 CG2 VAL A 72 -5.746 -18.923 5.327 1.00 0.00 C ATOM 0 H VAL A 72 -6.046 -18.912 1.268 1.00 0.00 H new ATOM 0 HA VAL A 72 -4.423 -17.652 3.336 1.00 0.00 H new ATOM 0 HB VAL A 72 -6.842 -18.053 3.715 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -7.674 -20.344 4.051 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -7.118 -20.077 2.382 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -6.101 -20.987 3.523 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -6.633 -19.131 5.926 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -5.010 -19.712 5.481 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -5.321 -17.966 5.630 1.00 0.00 H new ATOM 1199 N GLU A 73 -2.727 -19.425 3.680 1.00 0.00 N ATOM 1200 CA GLU A 73 -1.692 -20.435 3.865 1.00 0.00 C ATOM 1201 C GLU A 73 -1.754 -21.023 5.272 1.00 0.00 C ATOM 1202 O GLU A 73 -1.039 -20.582 6.172 1.00 0.00 O ATOM 1203 CB GLU A 73 -0.309 -19.829 3.613 1.00 0.00 C ATOM 1204 CG GLU A 73 0.190 -20.027 2.191 1.00 0.00 C ATOM 1205 CD GLU A 73 1.291 -21.065 2.098 1.00 0.00 C ATOM 1206 OE1 GLU A 73 2.138 -21.115 3.014 1.00 0.00 O ATOM 1207 OE2 GLU A 73 1.307 -21.829 1.110 1.00 0.00 O ATOM 0 H GLU A 73 -2.474 -18.495 4.013 1.00 0.00 H new ATOM 0 HA GLU A 73 -1.866 -21.236 3.147 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -0.343 -18.762 3.832 1.00 0.00 H new ATOM 0 HB3 GLU A 73 0.406 -20.274 4.306 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -0.643 -20.329 1.556 1.00 0.00 H new ATOM 0 HG3 GLU A 73 0.558 -19.077 1.804 1.00 0.00 H new ATOM 1214 N GLY A 74 -2.613 -22.020 5.452 1.00 0.00 N ATOM 1215 CA GLY A 74 -2.751 -22.653 6.751 1.00 0.00 C ATOM 1216 C GLY A 74 -4.031 -22.253 7.459 1.00 0.00 C ATOM 1217 O GLY A 74 -4.053 -22.282 8.708 1.00 0.00 O ATOM 1218 OXT GLY A 74 -5.010 -21.908 6.764 1.00 0.00 O ATOM 0 H GLY A 74 -3.216 -22.401 4.723 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -2.731 -23.736 6.628 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -1.897 -22.387 7.374 1.00 0.00 H new TER 1222 GLY A 74