USER MOD reduce.3.24.130724 H: found=0, std=0, add=456, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 455 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 Single : A 10 THR OG1 : rot 180:sc= 0.0711 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ -146:sc= 0 (180deg=-0.063) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 162:sc= 0.0603 (180deg=-0.35) USER MOD Single : A 19 LYS NZ :NH3+ 134:sc= -0.179 (180deg=-1.07) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 93:sc= 0.831 USER MOD Single : A 28 ASN : amide:sc= -8.03! C(o=-8!,f=-6!) USER MOD Single : A 29 THR OG1 : rot -48:sc= -0.491 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 CYS SG : rot 180:sc= -0.769 USER MOD Single : A 39 CYS SG : rot 150:sc= -4.2! USER MOD Single : A 44 HIS : no HD1:sc= -0.0187 X(o=-0.019,f=-0.028) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= -2.17 K(o=-2.2,f=-0.68) USER MOD Single : A 54 LYS NZ :NH3+ -131:sc= -0.144 (180deg=-1.07) USER MOD Single : A 55 SER OG : rot 180:sc= -0.197 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -6.02! K(o=-6!,f=-0.86) USER MOD Single : A 58 LYS NZ :NH3+ -119:sc= -0.474 (180deg=-1.84!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 9 5.295 4.435 14.732 1.00 0.00 N ATOM 2 CA GLY A 9 6.388 3.489 14.542 1.00 0.00 C ATOM 3 C GLY A 9 7.618 4.184 13.970 1.00 0.00 C ATOM 4 O GLY A 9 7.648 5.408 13.843 1.00 0.00 O ATOM 0 HA2 GLY A 9 6.639 3.022 15.494 1.00 0.00 H new ATOM 0 HA3 GLY A 9 6.071 2.692 13.870 1.00 0.00 H new ATOM 8 N THR A 10 8.631 3.396 13.626 1.00 0.00 N ATOM 9 CA THR A 10 9.858 3.944 13.068 1.00 0.00 C ATOM 10 C THR A 10 9.655 4.330 11.607 1.00 0.00 C ATOM 11 O THR A 10 8.692 3.905 10.971 1.00 0.00 O ATOM 12 CB THR A 10 10.978 2.905 13.179 1.00 0.00 C ATOM 13 OG1 THR A 10 10.451 1.614 12.917 1.00 0.00 O ATOM 14 CG2 THR A 10 11.574 2.938 14.588 1.00 0.00 C ATOM 0 H THR A 10 8.625 2.381 13.724 1.00 0.00 H new ATOM 0 HA THR A 10 10.131 4.838 13.628 1.00 0.00 H new ATOM 0 HB THR A 10 11.758 3.135 12.453 1.00 0.00 H new ATOM 0 HG1 THR A 10 11.167 0.948 12.986 1.00 0.00 H new ATOM 0 HG21 THR A 10 12.370 2.198 14.664 1.00 0.00 H new ATOM 0 HG22 THR A 10 11.980 3.930 14.788 1.00 0.00 H new ATOM 0 HG23 THR A 10 10.797 2.710 15.317 1.00 0.00 H new ATOM 22 N LYS A 11 10.570 5.139 11.080 1.00 0.00 N ATOM 23 CA LYS A 11 10.481 5.578 9.692 1.00 0.00 C ATOM 24 C LYS A 11 11.087 4.533 8.759 1.00 0.00 C ATOM 25 O LYS A 11 11.650 4.869 7.717 1.00 0.00 O ATOM 26 CB LYS A 11 11.219 6.907 9.517 1.00 0.00 C ATOM 27 CG LYS A 11 10.656 7.936 10.502 1.00 0.00 C ATOM 28 CD LYS A 11 11.114 9.337 10.094 1.00 0.00 C ATOM 29 CE LYS A 11 12.637 9.432 10.201 1.00 0.00 C ATOM 30 NZ LYS A 11 13.047 10.864 10.202 1.00 0.00 N ATOM 0 H LYS A 11 11.376 5.501 11.589 1.00 0.00 H new ATOM 0 HA LYS A 11 9.429 5.709 9.439 1.00 0.00 H new ATOM 0 HB2 LYS A 11 12.286 6.768 9.690 1.00 0.00 H new ATOM 0 HB3 LYS A 11 11.106 7.267 8.494 1.00 0.00 H new ATOM 0 HG2 LYS A 11 9.567 7.887 10.513 1.00 0.00 H new ATOM 0 HG3 LYS A 11 10.996 7.711 11.513 1.00 0.00 H new ATOM 0 HD2 LYS A 11 10.797 9.551 9.073 1.00 0.00 H new ATOM 0 HD3 LYS A 11 10.647 10.084 10.736 1.00 0.00 H new ATOM 0 HE2 LYS A 11 12.979 8.944 11.114 1.00 0.00 H new ATOM 0 HE3 LYS A 11 13.104 8.910 9.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 14.082 10.929 10.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 12.733 11.316 9.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 12.612 11.349 11.013 1.00 0.00 H new ATOM 44 N LYS A 12 10.967 3.266 9.139 1.00 0.00 N ATOM 45 CA LYS A 12 11.506 2.181 8.327 1.00 0.00 C ATOM 46 C LYS A 12 11.021 2.299 6.886 1.00 0.00 C ATOM 47 O LYS A 12 11.821 2.327 5.952 1.00 0.00 O ATOM 48 CB LYS A 12 11.073 0.830 8.906 1.00 0.00 C ATOM 49 CG LYS A 12 11.771 0.593 10.253 1.00 0.00 C ATOM 50 CD LYS A 12 13.134 -0.076 10.026 1.00 0.00 C ATOM 51 CE LYS A 12 12.958 -1.597 9.956 1.00 0.00 C ATOM 52 NZ LYS A 12 12.806 -2.144 11.333 1.00 0.00 N ATOM 0 H LYS A 12 10.505 2.966 9.997 1.00 0.00 H new ATOM 0 HA LYS A 12 12.594 2.249 8.339 1.00 0.00 H new ATOM 0 HB2 LYS A 12 9.991 0.811 9.038 1.00 0.00 H new ATOM 0 HB3 LYS A 12 11.323 0.029 8.210 1.00 0.00 H new ATOM 0 HG2 LYS A 12 11.904 1.541 10.775 1.00 0.00 H new ATOM 0 HG3 LYS A 12 11.149 -0.037 10.889 1.00 0.00 H new ATOM 0 HD2 LYS A 12 13.581 0.291 9.102 1.00 0.00 H new ATOM 0 HD3 LYS A 12 13.817 0.184 10.835 1.00 0.00 H new ATOM 0 HE2 LYS A 12 12.082 -1.845 9.356 1.00 0.00 H new ATOM 0 HE3 LYS A 12 13.819 -2.051 9.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 13.244 -3.086 11.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 13.272 -1.509 12.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 11.795 -2.220 11.567 1.00 0.00 H new ATOM 66 N TYR A 13 9.703 2.370 6.715 1.00 0.00 N ATOM 67 CA TYR A 13 9.116 2.488 5.383 1.00 0.00 C ATOM 68 C TYR A 13 7.967 3.491 5.396 1.00 0.00 C ATOM 69 O TYR A 13 7.295 3.669 6.413 1.00 0.00 O ATOM 70 CB TYR A 13 8.602 1.119 4.914 1.00 0.00 C ATOM 71 CG TYR A 13 9.696 0.392 4.166 1.00 0.00 C ATOM 72 CD1 TYR A 13 10.760 -0.188 4.867 1.00 0.00 C ATOM 73 CD2 TYR A 13 9.645 0.301 2.771 1.00 0.00 C ATOM 74 CE1 TYR A 13 11.774 -0.858 4.171 1.00 0.00 C ATOM 75 CE2 TYR A 13 10.657 -0.370 2.076 1.00 0.00 C ATOM 76 CZ TYR A 13 11.722 -0.948 2.776 1.00 0.00 C ATOM 77 OH TYR A 13 12.721 -1.610 2.090 1.00 0.00 O ATOM 0 H TYR A 13 9.025 2.348 7.477 1.00 0.00 H new ATOM 0 HA TYR A 13 9.884 2.840 4.694 1.00 0.00 H new ATOM 0 HB2 TYR A 13 8.280 0.528 5.771 1.00 0.00 H new ATOM 0 HB3 TYR A 13 7.732 1.248 4.270 1.00 0.00 H new ATOM 0 HD1 TYR A 13 10.799 -0.119 5.944 1.00 0.00 H new ATOM 0 HD2 TYR A 13 8.824 0.749 2.230 1.00 0.00 H new ATOM 0 HE1 TYR A 13 12.596 -1.305 4.711 1.00 0.00 H new ATOM 0 HE2 TYR A 13 10.616 -0.442 0.999 1.00 0.00 H new ATOM 0 HH TYR A 13 12.532 -1.581 1.129 1.00 0.00 H new ATOM 87 N ASP A 14 7.747 4.144 4.260 1.00 0.00 N ATOM 88 CA ASP A 14 6.677 5.129 4.145 1.00 0.00 C ATOM 89 C ASP A 14 6.121 5.147 2.726 1.00 0.00 C ATOM 90 O ASP A 14 6.789 5.594 1.793 1.00 0.00 O ATOM 91 CB ASP A 14 7.204 6.518 4.507 1.00 0.00 C ATOM 92 CG ASP A 14 6.100 7.555 4.339 1.00 0.00 C ATOM 93 OD1 ASP A 14 5.797 7.892 3.205 1.00 0.00 O ATOM 94 OD2 ASP A 14 5.572 7.998 5.345 1.00 0.00 O ATOM 0 H ASP A 14 8.293 4.010 3.409 1.00 0.00 H new ATOM 0 HA ASP A 14 5.878 4.855 4.834 1.00 0.00 H new ATOM 0 HB2 ASP A 14 7.565 6.522 5.536 1.00 0.00 H new ATOM 0 HB3 ASP A 14 8.052 6.771 3.871 1.00 0.00 H new ATOM 99 N LEU A 15 4.895 4.658 2.570 1.00 0.00 N ATOM 100 CA LEU A 15 4.251 4.618 1.260 1.00 0.00 C ATOM 101 C LEU A 15 2.923 5.369 1.298 1.00 0.00 C ATOM 102 O LEU A 15 1.868 4.794 1.040 1.00 0.00 O ATOM 103 CB LEU A 15 3.998 3.165 0.838 1.00 0.00 C ATOM 104 CG LEU A 15 5.246 2.315 1.101 1.00 0.00 C ATOM 105 CD1 LEU A 15 4.888 0.833 0.963 1.00 0.00 C ATOM 106 CD2 LEU A 15 6.337 2.665 0.085 1.00 0.00 C ATOM 0 H LEU A 15 4.328 4.285 3.331 1.00 0.00 H new ATOM 0 HA LEU A 15 4.914 5.095 0.538 1.00 0.00 H new ATOM 0 HB2 LEU A 15 3.150 2.760 1.390 1.00 0.00 H new ATOM 0 HB3 LEU A 15 3.738 3.125 -0.220 1.00 0.00 H new ATOM 0 HG LEU A 15 5.611 2.516 2.108 1.00 0.00 H new ATOM 0 HD11 LEU A 15 5.774 0.226 1.150 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.114 0.577 1.686 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.521 0.640 -0.045 1.00 0.00 H new ATOM 0 HD21 LEU A 15 7.221 2.058 0.277 1.00 0.00 H new ATOM 0 HD22 LEU A 15 5.973 2.467 -0.923 1.00 0.00 H new ATOM 0 HD23 LEU A 15 6.595 3.720 0.177 1.00 0.00 H new ATOM 118 N SER A 16 2.984 6.659 1.626 1.00 0.00 N ATOM 119 CA SER A 16 1.779 7.482 1.695 1.00 0.00 C ATOM 120 C SER A 16 0.820 7.116 0.567 1.00 0.00 C ATOM 121 O SER A 16 -0.361 6.862 0.799 1.00 0.00 O ATOM 122 CB SER A 16 2.150 8.961 1.594 1.00 0.00 C ATOM 123 OG SER A 16 1.052 9.685 1.057 1.00 0.00 O ATOM 0 H SER A 16 3.849 7.153 1.847 1.00 0.00 H new ATOM 0 HA SER A 16 1.288 7.298 2.650 1.00 0.00 H new ATOM 0 HB2 SER A 16 2.411 9.350 2.578 1.00 0.00 H new ATOM 0 HB3 SER A 16 3.027 9.085 0.959 1.00 0.00 H new ATOM 0 HG SER A 16 1.286 10.634 0.992 1.00 0.00 H new ATOM 129 N LYS A 17 1.344 7.081 -0.652 1.00 0.00 N ATOM 130 CA LYS A 17 0.538 6.731 -1.813 1.00 0.00 C ATOM 131 C LYS A 17 1.447 6.392 -2.987 1.00 0.00 C ATOM 132 O LYS A 17 2.341 7.164 -3.336 1.00 0.00 O ATOM 133 CB LYS A 17 -0.379 7.902 -2.185 1.00 0.00 C ATOM 134 CG LYS A 17 -1.120 7.596 -3.491 1.00 0.00 C ATOM 135 CD LYS A 17 -1.867 6.264 -3.368 1.00 0.00 C ATOM 136 CE LYS A 17 -3.009 6.218 -4.386 1.00 0.00 C ATOM 137 NZ LYS A 17 -2.496 6.622 -5.726 1.00 0.00 N ATOM 0 H LYS A 17 2.320 7.290 -0.861 1.00 0.00 H new ATOM 0 HA LYS A 17 -0.076 5.863 -1.573 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -1.096 8.081 -1.384 1.00 0.00 H new ATOM 0 HB3 LYS A 17 0.209 8.813 -2.296 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -1.823 8.398 -3.716 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -0.412 7.551 -4.319 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -1.181 5.434 -3.538 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -2.262 6.149 -2.359 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -3.428 5.213 -4.433 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -3.814 6.885 -4.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -3.161 6.308 -6.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -2.401 7.657 -5.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -1.567 6.183 -5.889 1.00 0.00 H new ATOM 151 N TRP A 18 1.213 5.231 -3.592 1.00 0.00 N ATOM 152 CA TRP A 18 2.015 4.783 -4.727 1.00 0.00 C ATOM 153 C TRP A 18 1.116 4.545 -5.939 1.00 0.00 C ATOM 154 O TRP A 18 -0.106 4.469 -5.808 1.00 0.00 O ATOM 155 CB TRP A 18 2.741 3.478 -4.363 1.00 0.00 C ATOM 156 CG TRP A 18 4.112 3.764 -3.817 1.00 0.00 C ATOM 157 CD1 TRP A 18 4.431 4.792 -2.996 1.00 0.00 C ATOM 158 CD2 TRP A 18 5.347 3.020 -4.035 1.00 0.00 C ATOM 159 NE1 TRP A 18 5.781 4.729 -2.702 1.00 0.00 N ATOM 160 CE2 TRP A 18 6.388 3.655 -3.319 1.00 0.00 C ATOM 161 CE3 TRP A 18 5.661 1.870 -4.778 1.00 0.00 C ATOM 162 CZ2 TRP A 18 7.695 3.164 -3.339 1.00 0.00 C ATOM 163 CZ3 TRP A 18 6.973 1.373 -4.801 1.00 0.00 C ATOM 164 CH2 TRP A 18 7.988 2.020 -4.084 1.00 0.00 C ATOM 0 H TRP A 18 0.475 4.583 -3.316 1.00 0.00 H new ATOM 0 HA TRP A 18 2.748 5.552 -4.970 1.00 0.00 H new ATOM 0 HB2 TRP A 18 2.159 2.926 -3.625 1.00 0.00 H new ATOM 0 HB3 TRP A 18 2.821 2.843 -5.245 1.00 0.00 H new ATOM 0 HD1 TRP A 18 3.743 5.540 -2.630 1.00 0.00 H new ATOM 0 HE1 TRP A 18 6.268 5.395 -2.102 1.00 0.00 H new ATOM 0 HE3 TRP A 18 4.887 1.364 -5.336 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 8.473 3.665 -2.783 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 7.202 0.487 -5.375 1.00 0.00 H new ATOM 0 HH2 TRP A 18 8.996 1.634 -4.108 1.00 0.00 H new ATOM 175 N LYS A 19 1.725 4.423 -7.115 1.00 0.00 N ATOM 176 CA LYS A 19 0.963 4.187 -8.338 1.00 0.00 C ATOM 177 C LYS A 19 1.013 2.710 -8.719 1.00 0.00 C ATOM 178 O LYS A 19 1.852 1.958 -8.221 1.00 0.00 O ATOM 179 CB LYS A 19 1.529 5.035 -9.483 1.00 0.00 C ATOM 180 CG LYS A 19 1.905 6.421 -8.956 1.00 0.00 C ATOM 181 CD LYS A 19 0.676 7.083 -8.329 1.00 0.00 C ATOM 182 CE LYS A 19 0.948 8.573 -8.119 1.00 0.00 C ATOM 183 NZ LYS A 19 1.197 9.224 -9.436 1.00 0.00 N ATOM 0 H LYS A 19 2.735 4.483 -7.247 1.00 0.00 H new ATOM 0 HA LYS A 19 -0.074 4.471 -8.160 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.405 4.548 -9.912 1.00 0.00 H new ATOM 0 HB3 LYS A 19 0.792 5.126 -10.281 1.00 0.00 H new ATOM 0 HG2 LYS A 19 2.702 6.336 -8.217 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.288 7.038 -9.768 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -0.191 6.949 -8.975 1.00 0.00 H new ATOM 0 HD3 LYS A 19 0.441 6.608 -7.377 1.00 0.00 H new ATOM 0 HE2 LYS A 19 0.098 9.042 -7.624 1.00 0.00 H new ATOM 0 HE3 LYS A 19 1.810 8.707 -7.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 0.654 10.109 -9.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 2.211 9.433 -9.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 0.900 8.585 -10.201 1.00 0.00 H new ATOM 197 N TYR A 20 0.107 2.298 -9.599 1.00 0.00 N ATOM 198 CA TYR A 20 0.056 0.907 -10.035 1.00 0.00 C ATOM 199 C TYR A 20 1.312 0.544 -10.822 1.00 0.00 C ATOM 200 O TYR A 20 1.852 -0.554 -10.680 1.00 0.00 O ATOM 201 CB TYR A 20 -1.180 0.679 -10.908 1.00 0.00 C ATOM 202 CG TYR A 20 -1.189 -0.745 -11.409 1.00 0.00 C ATOM 203 CD1 TYR A 20 -1.633 -1.778 -10.574 1.00 0.00 C ATOM 204 CD2 TYR A 20 -0.751 -1.034 -12.708 1.00 0.00 C ATOM 205 CE1 TYR A 20 -1.641 -3.098 -11.039 1.00 0.00 C ATOM 206 CE2 TYR A 20 -0.760 -2.355 -13.172 1.00 0.00 C ATOM 207 CZ TYR A 20 -1.204 -3.386 -12.337 1.00 0.00 C ATOM 208 OH TYR A 20 -1.213 -4.689 -12.795 1.00 0.00 O ATOM 0 H TYR A 20 -0.597 2.902 -10.022 1.00 0.00 H new ATOM 0 HA TYR A 20 -0.000 0.271 -9.152 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -2.085 0.879 -10.334 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -1.176 1.372 -11.750 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -1.969 -1.556 -9.572 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -0.406 -0.238 -13.351 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -1.985 -3.895 -10.396 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -0.424 -2.578 -14.174 1.00 0.00 H new ATOM 0 HH TYR A 20 -0.880 -4.714 -13.716 1.00 0.00 H new ATOM 218 N ALA A 21 1.767 1.474 -11.656 1.00 0.00 N ATOM 219 CA ALA A 21 2.956 1.245 -12.470 1.00 0.00 C ATOM 220 C ALA A 21 4.170 0.945 -11.596 1.00 0.00 C ATOM 221 O ALA A 21 4.810 -0.098 -11.749 1.00 0.00 O ATOM 222 CB ALA A 21 3.239 2.477 -13.331 1.00 0.00 C ATOM 0 H ALA A 21 1.333 2.388 -11.786 1.00 0.00 H new ATOM 0 HA ALA A 21 2.769 0.382 -13.110 1.00 0.00 H new ATOM 0 HB1 ALA A 21 4.128 2.301 -13.937 1.00 0.00 H new ATOM 0 HB2 ALA A 21 2.387 2.668 -13.983 1.00 0.00 H new ATOM 0 HB3 ALA A 21 3.404 3.341 -12.687 1.00 0.00 H new ATOM 228 N GLU A 22 4.492 1.863 -10.692 1.00 0.00 N ATOM 229 CA GLU A 22 5.642 1.680 -9.812 1.00 0.00 C ATOM 230 C GLU A 22 5.443 0.477 -8.896 1.00 0.00 C ATOM 231 O GLU A 22 6.389 -0.256 -8.609 1.00 0.00 O ATOM 232 CB GLU A 22 5.870 2.939 -8.971 1.00 0.00 C ATOM 233 CG GLU A 22 4.645 3.199 -8.097 1.00 0.00 C ATOM 234 CD GLU A 22 4.750 4.575 -7.448 1.00 0.00 C ATOM 235 OE1 GLU A 22 4.984 5.532 -8.168 1.00 0.00 O ATOM 236 OE2 GLU A 22 4.596 4.653 -6.240 1.00 0.00 O ATOM 0 H GLU A 22 3.980 2.733 -10.549 1.00 0.00 H new ATOM 0 HA GLU A 22 6.518 1.499 -10.435 1.00 0.00 H new ATOM 0 HB2 GLU A 22 6.755 2.817 -8.347 1.00 0.00 H new ATOM 0 HB3 GLU A 22 6.054 3.795 -9.621 1.00 0.00 H new ATOM 0 HG2 GLU A 22 3.739 3.140 -8.700 1.00 0.00 H new ATOM 0 HG3 GLU A 22 4.567 2.430 -7.328 1.00 0.00 H new ATOM 243 N LEU A 23 4.210 0.275 -8.436 1.00 0.00 N ATOM 244 CA LEU A 23 3.920 -0.850 -7.552 1.00 0.00 C ATOM 245 C LEU A 23 4.348 -2.161 -8.204 1.00 0.00 C ATOM 246 O LEU A 23 5.133 -2.921 -7.639 1.00 0.00 O ATOM 247 CB LEU A 23 2.415 -0.898 -7.240 1.00 0.00 C ATOM 248 CG LEU A 23 2.131 -0.225 -5.890 1.00 0.00 C ATOM 249 CD1 LEU A 23 0.669 0.228 -5.842 1.00 0.00 C ATOM 250 CD2 LEU A 23 2.389 -1.218 -4.752 1.00 0.00 C ATOM 0 H LEU A 23 3.408 0.865 -8.656 1.00 0.00 H new ATOM 0 HA LEU A 23 4.478 -0.716 -6.625 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.856 -0.395 -8.030 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.074 -1.933 -7.217 1.00 0.00 H new ATOM 0 HG LEU A 23 2.787 0.638 -5.775 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.467 0.706 -4.883 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.481 0.938 -6.648 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.016 -0.637 -5.961 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.186 -0.736 -3.796 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.736 -2.083 -4.868 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.429 -1.543 -4.781 1.00 0.00 H new ATOM 262 N ARG A 24 3.827 -2.417 -9.400 1.00 0.00 N ATOM 263 CA ARG A 24 4.160 -3.641 -10.120 1.00 0.00 C ATOM 264 C ARG A 24 5.651 -3.699 -10.426 1.00 0.00 C ATOM 265 O ARG A 24 6.314 -4.702 -10.161 1.00 0.00 O ATOM 266 CB ARG A 24 3.364 -3.711 -11.427 1.00 0.00 C ATOM 267 CG ARG A 24 3.388 -5.146 -11.978 1.00 0.00 C ATOM 268 CD ARG A 24 2.156 -5.916 -11.489 1.00 0.00 C ATOM 269 NE ARG A 24 2.203 -6.080 -10.039 1.00 0.00 N ATOM 270 CZ ARG A 24 1.093 -6.249 -9.328 1.00 0.00 C ATOM 271 NH1 ARG A 24 -0.067 -6.269 -9.924 1.00 0.00 N ATOM 272 NH2 ARG A 24 1.164 -6.396 -8.033 1.00 0.00 N ATOM 0 H ARG A 24 3.178 -1.799 -9.888 1.00 0.00 H new ATOM 0 HA ARG A 24 3.900 -4.491 -9.489 1.00 0.00 H new ATOM 0 HB2 ARG A 24 2.335 -3.396 -11.254 1.00 0.00 H new ATOM 0 HB3 ARG A 24 3.789 -3.024 -12.159 1.00 0.00 H new ATOM 0 HG2 ARG A 24 3.405 -5.126 -13.068 1.00 0.00 H new ATOM 0 HG3 ARG A 24 4.297 -5.654 -11.654 1.00 0.00 H new ATOM 0 HD2 ARG A 24 1.249 -5.382 -11.772 1.00 0.00 H new ATOM 0 HD3 ARG A 24 2.114 -6.893 -11.971 1.00 0.00 H new ATOM 0 HE ARG A 24 3.105 -6.065 -9.563 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -0.122 -6.155 -10.936 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -0.919 -6.399 -9.378 1.00 0.00 H new ATOM 0 HH21 ARG A 24 2.071 -6.381 -7.567 1.00 0.00 H new ATOM 0 HH22 ARG A 24 0.312 -6.526 -7.487 1.00 0.00 H new ATOM 286 N ASP A 25 6.177 -2.620 -10.990 1.00 0.00 N ATOM 287 CA ASP A 25 7.592 -2.567 -11.333 1.00 0.00 C ATOM 288 C ASP A 25 8.457 -2.846 -10.108 1.00 0.00 C ATOM 289 O ASP A 25 9.315 -3.727 -10.133 1.00 0.00 O ATOM 290 CB ASP A 25 7.938 -1.190 -11.902 1.00 0.00 C ATOM 291 CG ASP A 25 9.325 -1.222 -12.535 1.00 0.00 C ATOM 292 OD1 ASP A 25 9.460 -1.822 -13.589 1.00 0.00 O ATOM 293 OD2 ASP A 25 10.232 -0.646 -11.956 1.00 0.00 O ATOM 0 H ASP A 25 5.651 -1.776 -11.218 1.00 0.00 H new ATOM 0 HA ASP A 25 7.792 -3.333 -12.082 1.00 0.00 H new ATOM 0 HB2 ASP A 25 7.196 -0.898 -12.645 1.00 0.00 H new ATOM 0 HB3 ASP A 25 7.908 -0.442 -11.110 1.00 0.00 H new ATOM 298 N THR A 26 8.231 -2.088 -9.042 1.00 0.00 N ATOM 299 CA THR A 26 9.005 -2.258 -7.819 1.00 0.00 C ATOM 300 C THR A 26 8.879 -3.677 -7.272 1.00 0.00 C ATOM 301 O THR A 26 9.833 -4.220 -6.717 1.00 0.00 O ATOM 302 CB THR A 26 8.535 -1.261 -6.760 1.00 0.00 C ATOM 303 OG1 THR A 26 8.370 0.017 -7.355 1.00 0.00 O ATOM 304 CG2 THR A 26 9.579 -1.179 -5.644 1.00 0.00 C ATOM 0 H THR A 26 7.523 -1.355 -8.999 1.00 0.00 H new ATOM 0 HA THR A 26 10.052 -2.075 -8.060 1.00 0.00 H new ATOM 0 HB THR A 26 7.583 -1.590 -6.343 1.00 0.00 H new ATOM 0 HG1 THR A 26 7.442 0.123 -7.651 1.00 0.00 H new ATOM 0 HG21 THR A 26 9.247 -0.469 -4.887 1.00 0.00 H new ATOM 0 HG22 THR A 26 9.704 -2.162 -5.190 1.00 0.00 H new ATOM 0 HG23 THR A 26 10.531 -0.848 -6.060 1.00 0.00 H new ATOM 312 N ILE A 27 7.700 -4.276 -7.420 1.00 0.00 N ATOM 313 CA ILE A 27 7.488 -5.632 -6.917 1.00 0.00 C ATOM 314 C ILE A 27 8.106 -6.663 -7.861 1.00 0.00 C ATOM 315 O ILE A 27 8.384 -7.793 -7.459 1.00 0.00 O ATOM 316 CB ILE A 27 5.980 -5.899 -6.729 1.00 0.00 C ATOM 317 CG1 ILE A 27 5.744 -6.560 -5.365 1.00 0.00 C ATOM 318 CG2 ILE A 27 5.446 -6.818 -7.836 1.00 0.00 C ATOM 319 CD1 ILE A 27 4.274 -6.968 -5.233 1.00 0.00 C ATOM 0 H ILE A 27 6.890 -3.854 -7.875 1.00 0.00 H new ATOM 0 HA ILE A 27 7.981 -5.724 -5.949 1.00 0.00 H new ATOM 0 HB ILE A 27 5.452 -4.947 -6.780 1.00 0.00 H new ATOM 0 HG12 ILE A 27 6.385 -7.435 -5.259 1.00 0.00 H new ATOM 0 HG13 ILE A 27 6.013 -5.870 -4.565 1.00 0.00 H new ATOM 0 HG21 ILE A 27 4.381 -6.992 -7.682 1.00 0.00 H new ATOM 0 HG22 ILE A 27 5.600 -6.346 -8.806 1.00 0.00 H new ATOM 0 HG23 ILE A 27 5.977 -7.770 -7.807 1.00 0.00 H new ATOM 0 HD11 ILE A 27 4.112 -7.437 -4.262 1.00 0.00 H new ATOM 0 HD12 ILE A 27 3.642 -6.084 -5.319 1.00 0.00 H new ATOM 0 HD13 ILE A 27 4.020 -7.674 -6.024 1.00 0.00 H new ATOM 331 N ASN A 28 8.315 -6.273 -9.118 1.00 0.00 N ATOM 332 CA ASN A 28 8.896 -7.182 -10.104 1.00 0.00 C ATOM 333 C ASN A 28 10.352 -6.818 -10.396 1.00 0.00 C ATOM 334 O ASN A 28 11.028 -7.506 -11.161 1.00 0.00 O ATOM 335 CB ASN A 28 8.065 -7.146 -11.400 1.00 0.00 C ATOM 336 CG ASN A 28 8.810 -6.400 -12.503 1.00 0.00 C ATOM 337 OD1 ASN A 28 9.015 -6.939 -13.591 1.00 0.00 O ATOM 338 ND2 ASN A 28 9.229 -5.185 -12.285 1.00 0.00 N ATOM 0 H ASN A 28 8.093 -5.343 -9.475 1.00 0.00 H new ATOM 0 HA ASN A 28 8.879 -8.192 -9.695 1.00 0.00 H new ATOM 0 HB2 ASN A 28 7.848 -8.163 -11.726 1.00 0.00 H new ATOM 0 HB3 ASN A 28 7.108 -6.661 -11.210 1.00 0.00 H new ATOM 0 HD21 ASN A 28 9.728 -4.679 -13.017 1.00 0.00 H new ATOM 0 HD22 ASN A 28 9.058 -4.741 -11.383 1.00 0.00 H new ATOM 345 N THR A 29 10.833 -5.738 -9.779 1.00 0.00 N ATOM 346 CA THR A 29 12.216 -5.305 -9.982 1.00 0.00 C ATOM 347 C THR A 29 12.992 -5.376 -8.672 1.00 0.00 C ATOM 348 O THR A 29 14.097 -5.917 -8.621 1.00 0.00 O ATOM 349 CB THR A 29 12.254 -3.867 -10.514 1.00 0.00 C ATOM 350 OG1 THR A 29 11.476 -3.032 -9.669 1.00 0.00 O ATOM 351 CG2 THR A 29 11.693 -3.814 -11.943 1.00 0.00 C ATOM 0 H THR A 29 10.293 -5.153 -9.142 1.00 0.00 H new ATOM 0 HA THR A 29 12.676 -5.971 -10.711 1.00 0.00 H new ATOM 0 HB THR A 29 13.287 -3.520 -10.527 1.00 0.00 H new ATOM 0 HG1 THR A 29 10.609 -3.456 -9.498 1.00 0.00 H new ATOM 0 HG21 THR A 29 11.726 -2.788 -12.309 1.00 0.00 H new ATOM 0 HG22 THR A 29 12.293 -4.450 -12.593 1.00 0.00 H new ATOM 0 HG23 THR A 29 10.661 -4.166 -11.942 1.00 0.00 H new ATOM 359 N SER A 30 12.405 -4.830 -7.613 1.00 0.00 N ATOM 360 CA SER A 30 13.047 -4.838 -6.303 1.00 0.00 C ATOM 361 C SER A 30 12.611 -6.069 -5.512 1.00 0.00 C ATOM 362 O SER A 30 11.669 -6.763 -5.897 1.00 0.00 O ATOM 363 CB SER A 30 12.680 -3.565 -5.537 1.00 0.00 C ATOM 364 OG SER A 30 13.737 -2.624 -5.661 1.00 0.00 O ATOM 0 H SER A 30 11.491 -4.378 -7.635 1.00 0.00 H new ATOM 0 HA SER A 30 14.128 -4.873 -6.438 1.00 0.00 H new ATOM 0 HB2 SER A 30 11.754 -3.144 -5.930 1.00 0.00 H new ATOM 0 HB3 SER A 30 12.504 -3.796 -4.486 1.00 0.00 H new ATOM 0 HG SER A 30 13.506 -1.806 -5.173 1.00 0.00 H new ATOM 370 N CYS A 31 13.299 -6.332 -4.407 1.00 0.00 N ATOM 371 CA CYS A 31 12.966 -7.483 -3.574 1.00 0.00 C ATOM 372 C CYS A 31 13.490 -7.291 -2.156 1.00 0.00 C ATOM 373 O CYS A 31 14.684 -7.079 -1.946 1.00 0.00 O ATOM 374 CB CYS A 31 13.570 -8.753 -4.177 1.00 0.00 C ATOM 375 SG CYS A 31 12.945 -10.197 -3.284 1.00 0.00 S ATOM 0 H CYS A 31 14.082 -5.772 -4.069 1.00 0.00 H new ATOM 0 HA CYS A 31 11.881 -7.578 -3.535 1.00 0.00 H new ATOM 0 HB2 CYS A 31 13.312 -8.825 -5.234 1.00 0.00 H new ATOM 0 HB3 CYS A 31 14.658 -8.716 -4.116 1.00 0.00 H new ATOM 0 HG CYS A 31 13.455 -11.278 -3.796 1.00 0.00 H new ATOM 381 N ASP A 32 12.586 -7.377 -1.188 1.00 0.00 N ATOM 382 CA ASP A 32 12.958 -7.220 0.214 1.00 0.00 C ATOM 383 C ASP A 32 11.752 -7.498 1.107 1.00 0.00 C ATOM 384 O ASP A 32 10.662 -6.980 0.868 1.00 0.00 O ATOM 385 CB ASP A 32 13.479 -5.798 0.470 1.00 0.00 C ATOM 386 CG ASP A 32 14.585 -5.823 1.521 1.00 0.00 C ATOM 387 OD1 ASP A 32 14.344 -6.351 2.593 1.00 0.00 O ATOM 388 OD2 ASP A 32 15.656 -5.313 1.236 1.00 0.00 O ATOM 0 H ASP A 32 11.594 -7.554 -1.346 1.00 0.00 H new ATOM 0 HA ASP A 32 13.749 -7.933 0.448 1.00 0.00 H new ATOM 0 HB2 ASP A 32 13.858 -5.369 -0.458 1.00 0.00 H new ATOM 0 HB3 ASP A 32 12.663 -5.159 0.806 1.00 0.00 H new ATOM 393 N ILE A 33 11.955 -8.319 2.133 1.00 0.00 N ATOM 394 CA ILE A 33 10.875 -8.657 3.052 1.00 0.00 C ATOM 395 C ILE A 33 9.993 -7.439 3.319 1.00 0.00 C ATOM 396 O ILE A 33 8.771 -7.556 3.416 1.00 0.00 O ATOM 397 CB ILE A 33 11.457 -9.167 4.375 1.00 0.00 C ATOM 398 CG1 ILE A 33 12.680 -8.318 4.762 1.00 0.00 C ATOM 399 CG2 ILE A 33 11.878 -10.632 4.218 1.00 0.00 C ATOM 400 CD1 ILE A 33 12.799 -8.245 6.285 1.00 0.00 C ATOM 0 H ILE A 33 12.850 -8.759 2.347 1.00 0.00 H new ATOM 0 HA ILE A 33 10.266 -9.438 2.595 1.00 0.00 H new ATOM 0 HB ILE A 33 10.701 -9.089 5.157 1.00 0.00 H new ATOM 0 HG12 ILE A 33 13.585 -8.753 4.338 1.00 0.00 H new ATOM 0 HG13 ILE A 33 12.584 -7.315 4.347 1.00 0.00 H new ATOM 0 HG21 ILE A 33 12.292 -10.994 5.159 1.00 0.00 H new ATOM 0 HG22 ILE A 33 11.010 -11.233 3.948 1.00 0.00 H new ATOM 0 HG23 ILE A 33 12.632 -10.712 3.435 1.00 0.00 H new ATOM 0 HD11 ILE A 33 13.667 -7.643 6.554 1.00 0.00 H new ATOM 0 HD12 ILE A 33 11.899 -7.790 6.699 1.00 0.00 H new ATOM 0 HD13 ILE A 33 12.916 -9.250 6.689 1.00 0.00 H new ATOM 412 N GLU A 34 10.622 -6.274 3.441 1.00 0.00 N ATOM 413 CA GLU A 34 9.887 -5.043 3.704 1.00 0.00 C ATOM 414 C GLU A 34 9.167 -4.557 2.449 1.00 0.00 C ATOM 415 O GLU A 34 7.964 -4.295 2.477 1.00 0.00 O ATOM 416 CB GLU A 34 10.850 -3.959 4.202 1.00 0.00 C ATOM 417 CG GLU A 34 11.988 -4.607 4.995 1.00 0.00 C ATOM 418 CD GLU A 34 12.597 -3.595 5.962 1.00 0.00 C ATOM 419 OE1 GLU A 34 11.850 -3.028 6.743 1.00 0.00 O ATOM 420 OE2 GLU A 34 13.801 -3.404 5.907 1.00 0.00 O ATOM 0 H GLU A 34 11.632 -6.157 3.362 1.00 0.00 H new ATOM 0 HA GLU A 34 9.140 -5.248 4.471 1.00 0.00 H new ATOM 0 HB2 GLU A 34 11.254 -3.401 3.357 1.00 0.00 H new ATOM 0 HB3 GLU A 34 10.317 -3.245 4.830 1.00 0.00 H new ATOM 0 HG2 GLU A 34 11.612 -5.468 5.547 1.00 0.00 H new ATOM 0 HG3 GLU A 34 12.754 -4.975 4.312 1.00 0.00 H new ATOM 427 N LEU A 35 9.905 -4.434 1.349 1.00 0.00 N ATOM 428 CA LEU A 35 9.312 -3.973 0.098 1.00 0.00 C ATOM 429 C LEU A 35 8.104 -4.835 -0.261 1.00 0.00 C ATOM 430 O LEU A 35 7.015 -4.322 -0.516 1.00 0.00 O ATOM 431 CB LEU A 35 10.347 -4.045 -1.038 1.00 0.00 C ATOM 432 CG LEU A 35 10.154 -2.886 -2.041 1.00 0.00 C ATOM 433 CD1 LEU A 35 8.665 -2.689 -2.355 1.00 0.00 C ATOM 434 CD2 LEU A 35 10.730 -1.583 -1.467 1.00 0.00 C ATOM 0 H LEU A 35 10.902 -4.644 1.298 1.00 0.00 H new ATOM 0 HA LEU A 35 8.991 -2.939 0.228 1.00 0.00 H new ATOM 0 HB2 LEU A 35 11.353 -4.005 -0.620 1.00 0.00 H new ATOM 0 HB3 LEU A 35 10.255 -4.999 -1.558 1.00 0.00 H new ATOM 0 HG LEU A 35 10.682 -3.140 -2.960 1.00 0.00 H new ATOM 0 HD11 LEU A 35 8.548 -1.869 -3.063 1.00 0.00 H new ATOM 0 HD12 LEU A 35 8.261 -3.603 -2.789 1.00 0.00 H new ATOM 0 HD13 LEU A 35 8.127 -2.455 -1.436 1.00 0.00 H new ATOM 0 HD21 LEU A 35 10.587 -0.775 -2.184 1.00 0.00 H new ATOM 0 HD22 LEU A 35 10.218 -1.337 -0.537 1.00 0.00 H new ATOM 0 HD23 LEU A 35 11.795 -1.711 -1.272 1.00 0.00 H new ATOM 446 N LEU A 36 8.311 -6.149 -0.283 1.00 0.00 N ATOM 447 CA LEU A 36 7.235 -7.076 -0.618 1.00 0.00 C ATOM 448 C LEU A 36 6.122 -7.013 0.422 1.00 0.00 C ATOM 449 O LEU A 36 4.953 -6.835 0.079 1.00 0.00 O ATOM 450 CB LEU A 36 7.784 -8.502 -0.705 1.00 0.00 C ATOM 451 CG LEU A 36 9.041 -8.516 -1.579 1.00 0.00 C ATOM 452 CD1 LEU A 36 9.536 -9.956 -1.733 1.00 0.00 C ATOM 453 CD2 LEU A 36 8.718 -7.938 -2.962 1.00 0.00 C ATOM 0 H LEU A 36 9.206 -6.592 -0.075 1.00 0.00 H new ATOM 0 HA LEU A 36 6.821 -6.788 -1.584 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.018 -8.874 0.293 1.00 0.00 H new ATOM 0 HB3 LEU A 36 7.030 -9.168 -1.124 1.00 0.00 H new ATOM 0 HG LEU A 36 9.815 -7.910 -1.107 1.00 0.00 H new ATOM 0 HD11 LEU A 36 10.431 -9.969 -2.355 1.00 0.00 H new ATOM 0 HD12 LEU A 36 9.771 -10.367 -0.751 1.00 0.00 H new ATOM 0 HD13 LEU A 36 8.759 -10.559 -2.203 1.00 0.00 H new ATOM 0 HD21 LEU A 36 9.616 -7.950 -3.580 1.00 0.00 H new ATOM 0 HD22 LEU A 36 7.943 -8.540 -3.436 1.00 0.00 H new ATOM 0 HD23 LEU A 36 8.365 -6.912 -2.854 1.00 0.00 H new ATOM 465 N ALA A 37 6.485 -7.157 1.693 1.00 0.00 N ATOM 466 CA ALA A 37 5.493 -7.111 2.761 1.00 0.00 C ATOM 467 C ALA A 37 4.661 -5.839 2.648 1.00 0.00 C ATOM 468 O ALA A 37 3.431 -5.884 2.674 1.00 0.00 O ATOM 469 CB ALA A 37 6.181 -7.153 4.126 1.00 0.00 C ATOM 0 H ALA A 37 7.445 -7.304 2.005 1.00 0.00 H new ATOM 0 HA ALA A 37 4.840 -7.978 2.665 1.00 0.00 H new ATOM 0 HB1 ALA A 37 5.429 -7.118 4.914 1.00 0.00 H new ATOM 0 HB2 ALA A 37 6.757 -8.074 4.215 1.00 0.00 H new ATOM 0 HB3 ALA A 37 6.849 -6.297 4.223 1.00 0.00 H new ATOM 475 N ALA A 38 5.342 -4.706 2.519 1.00 0.00 N ATOM 476 CA ALA A 38 4.658 -3.425 2.397 1.00 0.00 C ATOM 477 C ALA A 38 3.777 -3.408 1.150 1.00 0.00 C ATOM 478 O ALA A 38 2.605 -3.042 1.213 1.00 0.00 O ATOM 479 CB ALA A 38 5.682 -2.291 2.323 1.00 0.00 C ATOM 0 H ALA A 38 6.360 -4.648 2.496 1.00 0.00 H new ATOM 0 HA ALA A 38 4.027 -3.283 3.274 1.00 0.00 H new ATOM 0 HB1 ALA A 38 5.163 -1.337 2.232 1.00 0.00 H new ATOM 0 HB2 ALA A 38 6.289 -2.289 3.229 1.00 0.00 H new ATOM 0 HB3 ALA A 38 6.326 -2.438 1.456 1.00 0.00 H new ATOM 485 N CYS A 39 4.350 -3.813 0.021 1.00 0.00 N ATOM 486 CA CYS A 39 3.604 -3.843 -1.232 1.00 0.00 C ATOM 487 C CYS A 39 2.292 -4.599 -1.044 1.00 0.00 C ATOM 488 O CYS A 39 1.229 -4.129 -1.450 1.00 0.00 O ATOM 489 CB CYS A 39 4.434 -4.521 -2.325 1.00 0.00 C ATOM 490 SG CYS A 39 3.757 -4.091 -3.947 1.00 0.00 S ATOM 0 H CYS A 39 5.319 -4.122 -0.052 1.00 0.00 H new ATOM 0 HA CYS A 39 3.387 -2.818 -1.532 1.00 0.00 H new ATOM 0 HB2 CYS A 39 5.474 -4.203 -2.257 1.00 0.00 H new ATOM 0 HB3 CYS A 39 4.422 -5.602 -2.188 1.00 0.00 H new ATOM 0 HG CYS A 39 4.713 -4.084 -4.828 1.00 0.00 H new ATOM 496 N ARG A 40 2.378 -5.771 -0.424 1.00 0.00 N ATOM 497 CA ARG A 40 1.192 -6.584 -0.182 1.00 0.00 C ATOM 498 C ARG A 40 0.195 -5.823 0.684 1.00 0.00 C ATOM 499 O ARG A 40 -0.996 -5.769 0.377 1.00 0.00 O ATOM 500 CB ARG A 40 1.584 -7.889 0.512 1.00 0.00 C ATOM 501 CG ARG A 40 2.375 -8.768 -0.459 1.00 0.00 C ATOM 502 CD ARG A 40 2.905 -9.998 0.279 1.00 0.00 C ATOM 503 NE ARG A 40 3.782 -10.771 -0.593 1.00 0.00 N ATOM 504 CZ ARG A 40 4.533 -11.757 -0.112 1.00 0.00 C ATOM 505 NH1 ARG A 40 4.493 -12.048 1.159 1.00 0.00 N ATOM 506 NH2 ARG A 40 5.310 -12.434 -0.913 1.00 0.00 N ATOM 0 H ARG A 40 3.249 -6.177 -0.082 1.00 0.00 H new ATOM 0 HA ARG A 40 0.726 -6.812 -1.141 1.00 0.00 H new ATOM 0 HB2 ARG A 40 2.184 -7.676 1.397 1.00 0.00 H new ATOM 0 HB3 ARG A 40 0.691 -8.415 0.851 1.00 0.00 H new ATOM 0 HG2 ARG A 40 1.738 -9.075 -1.289 1.00 0.00 H new ATOM 0 HG3 ARG A 40 3.203 -8.202 -0.886 1.00 0.00 H new ATOM 0 HD2 ARG A 40 3.449 -9.689 1.172 1.00 0.00 H new ATOM 0 HD3 ARG A 40 2.073 -10.618 0.611 1.00 0.00 H new ATOM 0 HE ARG A 40 3.820 -10.552 -1.588 1.00 0.00 H new ATOM 0 HH11 ARG A 40 3.885 -11.519 1.784 1.00 0.00 H new ATOM 0 HH12 ARG A 40 5.069 -12.805 1.527 1.00 0.00 H new ATOM 0 HH21 ARG A 40 5.341 -12.206 -1.907 1.00 0.00 H new ATOM 0 HH22 ARG A 40 5.887 -13.191 -0.545 1.00 0.00 H new ATOM 520 N GLU A 41 0.692 -5.230 1.766 1.00 0.00 N ATOM 521 CA GLU A 41 -0.166 -4.470 2.667 1.00 0.00 C ATOM 522 C GLU A 41 -0.926 -3.398 1.895 1.00 0.00 C ATOM 523 O GLU A 41 -2.088 -3.114 2.186 1.00 0.00 O ATOM 524 CB GLU A 41 0.677 -3.814 3.765 1.00 0.00 C ATOM 525 CG GLU A 41 1.118 -4.872 4.778 1.00 0.00 C ATOM 526 CD GLU A 41 1.857 -4.208 5.935 1.00 0.00 C ATOM 527 OE1 GLU A 41 1.252 -3.390 6.606 1.00 0.00 O ATOM 528 OE2 GLU A 41 3.017 -4.530 6.133 1.00 0.00 O ATOM 0 H GLU A 41 1.675 -5.261 2.038 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.882 -5.153 3.123 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.550 -3.330 3.327 1.00 0.00 H new ATOM 0 HB3 GLU A 41 0.099 -3.037 4.265 1.00 0.00 H new ATOM 0 HG2 GLU A 41 0.249 -5.413 5.153 1.00 0.00 H new ATOM 0 HG3 GLU A 41 1.765 -5.604 4.294 1.00 0.00 H new ATOM 535 N GLU A 42 -0.262 -2.808 0.907 1.00 0.00 N ATOM 536 CA GLU A 42 -0.886 -1.770 0.094 1.00 0.00 C ATOM 537 C GLU A 42 -1.979 -2.367 -0.785 1.00 0.00 C ATOM 538 O GLU A 42 -3.092 -1.841 -0.852 1.00 0.00 O ATOM 539 CB GLU A 42 0.166 -1.091 -0.786 1.00 0.00 C ATOM 540 CG GLU A 42 1.154 -0.323 0.097 1.00 0.00 C ATOM 541 CD GLU A 42 0.463 0.884 0.722 1.00 0.00 C ATOM 542 OE1 GLU A 42 -0.112 0.728 1.787 1.00 0.00 O ATOM 543 OE2 GLU A 42 0.518 1.948 0.126 1.00 0.00 O ATOM 0 H GLU A 42 0.700 -3.028 0.651 1.00 0.00 H new ATOM 0 HA GLU A 42 -1.332 -1.031 0.760 1.00 0.00 H new ATOM 0 HB2 GLU A 42 0.696 -1.837 -1.379 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.316 -0.410 -1.487 1.00 0.00 H new ATOM 0 HG2 GLU A 42 1.540 -0.977 0.879 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.008 0.003 -0.497 1.00 0.00 H new ATOM 550 N PHE A 43 -1.658 -3.470 -1.456 1.00 0.00 N ATOM 551 CA PHE A 43 -2.625 -4.131 -2.325 1.00 0.00 C ATOM 552 C PHE A 43 -3.876 -4.508 -1.534 1.00 0.00 C ATOM 553 O PHE A 43 -4.993 -4.170 -1.924 1.00 0.00 O ATOM 554 CB PHE A 43 -1.997 -5.390 -2.942 1.00 0.00 C ATOM 555 CG PHE A 43 -1.624 -5.126 -4.384 1.00 0.00 C ATOM 556 CD1 PHE A 43 -0.850 -4.008 -4.714 1.00 0.00 C ATOM 557 CD2 PHE A 43 -2.055 -6.000 -5.391 1.00 0.00 C ATOM 558 CE1 PHE A 43 -0.507 -3.762 -6.049 1.00 0.00 C ATOM 559 CE2 PHE A 43 -1.711 -5.756 -6.725 1.00 0.00 C ATOM 560 CZ PHE A 43 -0.937 -4.637 -7.055 1.00 0.00 C ATOM 0 H PHE A 43 -0.744 -3.921 -1.415 1.00 0.00 H new ATOM 0 HA PHE A 43 -2.908 -3.444 -3.123 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -1.112 -5.680 -2.376 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -2.699 -6.222 -2.885 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -0.517 -3.334 -3.938 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -2.653 -6.863 -5.137 1.00 0.00 H new ATOM 0 HE1 PHE A 43 0.089 -2.898 -6.303 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -2.043 -6.431 -7.500 1.00 0.00 H new ATOM 0 HZ PHE A 43 -0.672 -4.448 -8.085 1.00 0.00 H new ATOM 570 N HIS A 44 -3.679 -5.207 -0.421 1.00 0.00 N ATOM 571 CA HIS A 44 -4.798 -5.622 0.415 1.00 0.00 C ATOM 572 C HIS A 44 -5.598 -4.408 0.878 1.00 0.00 C ATOM 573 O HIS A 44 -6.821 -4.372 0.748 1.00 0.00 O ATOM 574 CB HIS A 44 -4.285 -6.395 1.634 1.00 0.00 C ATOM 575 CG HIS A 44 -3.868 -7.777 1.215 1.00 0.00 C ATOM 576 ND1 HIS A 44 -4.789 -8.765 0.902 1.00 0.00 N ATOM 577 CD2 HIS A 44 -2.632 -8.354 1.052 1.00 0.00 C ATOM 578 CE1 HIS A 44 -4.101 -9.872 0.571 1.00 0.00 C ATOM 579 NE2 HIS A 44 -2.782 -9.676 0.646 1.00 0.00 N ATOM 0 H HIS A 44 -2.762 -5.496 -0.079 1.00 0.00 H new ATOM 0 HA HIS A 44 -5.448 -6.269 -0.175 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -3.441 -5.870 2.082 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -5.064 -6.454 2.394 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -1.687 -7.857 1.214 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -4.559 -10.806 0.280 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -2.043 -10.351 0.448 1.00 0.00 H new ATOM 587 N ARG A 45 -4.897 -3.414 1.417 1.00 0.00 N ATOM 588 CA ARG A 45 -5.553 -2.204 1.893 1.00 0.00 C ATOM 589 C ARG A 45 -6.307 -1.521 0.756 1.00 0.00 C ATOM 590 O ARG A 45 -7.507 -1.262 0.862 1.00 0.00 O ATOM 591 CB ARG A 45 -4.517 -1.240 2.472 1.00 0.00 C ATOM 592 CG ARG A 45 -5.224 0.005 3.016 1.00 0.00 C ATOM 593 CD ARG A 45 -4.309 0.721 4.013 1.00 0.00 C ATOM 594 NE ARG A 45 -4.366 0.060 5.312 1.00 0.00 N ATOM 595 CZ ARG A 45 -3.867 0.639 6.399 1.00 0.00 C ATOM 596 NH1 ARG A 45 -3.313 1.818 6.314 1.00 0.00 N ATOM 597 NH2 ARG A 45 -3.929 0.029 7.552 1.00 0.00 N ATOM 0 H ARG A 45 -3.884 -3.423 1.534 1.00 0.00 H new ATOM 0 HA ARG A 45 -6.264 -2.481 2.671 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -3.955 -1.729 3.268 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -3.799 -0.956 1.703 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -5.482 0.676 2.197 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -6.158 -0.278 3.502 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -3.284 0.722 3.642 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -4.613 1.763 4.113 1.00 0.00 H new ATOM 0 HE ARG A 45 -4.796 -0.862 5.387 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -3.263 2.294 5.413 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -2.930 2.263 7.148 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -4.361 -0.893 7.619 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -3.546 0.474 8.386 1.00 0.00 H new ATOM 611 N ARG A 46 -5.597 -1.234 -0.329 1.00 0.00 N ATOM 612 CA ARG A 46 -6.209 -0.582 -1.481 1.00 0.00 C ATOM 613 C ARG A 46 -7.470 -1.326 -1.909 1.00 0.00 C ATOM 614 O ARG A 46 -8.459 -0.713 -2.312 1.00 0.00 O ATOM 615 CB ARG A 46 -5.217 -0.545 -2.647 1.00 0.00 C ATOM 616 CG ARG A 46 -4.052 0.395 -2.309 1.00 0.00 C ATOM 617 CD ARG A 46 -4.406 1.830 -2.711 1.00 0.00 C ATOM 618 NE ARG A 46 -3.283 2.720 -2.441 1.00 0.00 N ATOM 619 CZ ARG A 46 -2.972 3.077 -1.199 1.00 0.00 C ATOM 620 NH1 ARG A 46 -3.676 2.630 -0.196 1.00 0.00 N ATOM 621 NH2 ARG A 46 -1.963 3.876 -0.983 1.00 0.00 N ATOM 0 H ARG A 46 -4.604 -1.441 -0.435 1.00 0.00 H new ATOM 0 HA ARG A 46 -6.478 0.436 -1.199 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -4.840 -1.548 -2.848 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -5.719 -0.206 -3.553 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -3.835 0.350 -1.242 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -3.151 0.074 -2.831 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -4.662 1.866 -3.770 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -5.285 2.164 -2.159 1.00 0.00 H new ATOM 0 HE ARG A 46 -2.726 3.075 -3.219 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -4.465 2.006 -0.365 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -3.437 2.904 0.757 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -1.413 4.227 -1.767 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -1.724 4.150 -0.030 1.00 0.00 H new ATOM 635 N LEU A 47 -7.426 -2.650 -1.821 1.00 0.00 N ATOM 636 CA LEU A 47 -8.568 -3.472 -2.205 1.00 0.00 C ATOM 637 C LEU A 47 -9.700 -3.334 -1.189 1.00 0.00 C ATOM 638 O LEU A 47 -10.875 -3.298 -1.556 1.00 0.00 O ATOM 639 CB LEU A 47 -8.144 -4.942 -2.303 1.00 0.00 C ATOM 640 CG LEU A 47 -9.174 -5.729 -3.127 1.00 0.00 C ATOM 641 CD1 LEU A 47 -8.831 -5.631 -4.617 1.00 0.00 C ATOM 642 CD2 LEU A 47 -9.152 -7.199 -2.701 1.00 0.00 C ATOM 0 H LEU A 47 -6.617 -3.175 -1.489 1.00 0.00 H new ATOM 0 HA LEU A 47 -8.926 -3.130 -3.176 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -7.161 -5.016 -2.768 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -8.058 -5.372 -1.305 1.00 0.00 H new ATOM 0 HG LEU A 47 -10.165 -5.310 -2.955 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -9.565 -6.191 -5.197 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -8.846 -4.586 -4.926 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -7.838 -6.046 -4.790 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -9.883 -7.758 -3.285 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -8.158 -7.612 -2.872 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -9.400 -7.275 -1.642 1.00 0.00 H new ATOM 654 N LYS A 48 -9.338 -3.263 0.088 1.00 0.00 N ATOM 655 CA LYS A 48 -10.334 -3.134 1.146 1.00 0.00 C ATOM 656 C LYS A 48 -11.064 -1.799 1.040 1.00 0.00 C ATOM 657 O LYS A 48 -12.295 -1.756 1.001 1.00 0.00 O ATOM 658 CB LYS A 48 -9.660 -3.242 2.516 1.00 0.00 C ATOM 659 CG LYS A 48 -9.291 -4.702 2.793 1.00 0.00 C ATOM 660 CD LYS A 48 -8.481 -4.796 4.090 1.00 0.00 C ATOM 661 CE LYS A 48 -9.421 -4.708 5.298 1.00 0.00 C ATOM 662 NZ LYS A 48 -8.663 -5.029 6.540 1.00 0.00 N ATOM 0 H LYS A 48 -8.372 -3.292 0.413 1.00 0.00 H new ATOM 0 HA LYS A 48 -11.059 -3.940 1.033 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.766 -2.619 2.543 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.330 -2.872 3.292 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -10.195 -5.306 2.873 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -8.712 -5.104 1.962 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.927 -5.735 4.116 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.747 -3.991 4.130 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -9.848 -3.708 5.368 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -10.253 -5.402 5.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -9.300 -4.970 7.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -8.276 -5.992 6.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.884 -4.350 6.657 1.00 0.00 H new ATOM 676 N VAL A 49 -10.303 -0.711 0.995 1.00 0.00 N ATOM 677 CA VAL A 49 -10.894 0.618 0.895 1.00 0.00 C ATOM 678 C VAL A 49 -11.642 0.775 -0.426 1.00 0.00 C ATOM 679 O VAL A 49 -12.734 1.340 -0.467 1.00 0.00 O ATOM 680 CB VAL A 49 -9.803 1.685 0.996 1.00 0.00 C ATOM 681 CG1 VAL A 49 -9.054 1.525 2.319 1.00 0.00 C ATOM 682 CG2 VAL A 49 -8.824 1.521 -0.168 1.00 0.00 C ATOM 0 H VAL A 49 -9.284 -0.722 1.026 1.00 0.00 H new ATOM 0 HA VAL A 49 -11.600 0.743 1.716 1.00 0.00 H new ATOM 0 HB VAL A 49 -10.257 2.675 0.954 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -8.276 2.285 2.391 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -9.752 1.640 3.148 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -8.599 0.535 2.362 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -8.045 2.281 -0.098 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -8.370 0.531 -0.125 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -9.358 1.635 -1.111 1.00 0.00 H new ATOM 692 N TYR A 50 -11.047 0.268 -1.503 1.00 0.00 N ATOM 693 CA TYR A 50 -11.670 0.360 -2.817 1.00 0.00 C ATOM 694 C TYR A 50 -13.025 -0.342 -2.817 1.00 0.00 C ATOM 695 O TYR A 50 -14.012 0.196 -3.321 1.00 0.00 O ATOM 696 CB TYR A 50 -10.763 -0.279 -3.873 1.00 0.00 C ATOM 697 CG TYR A 50 -11.456 -0.256 -5.214 1.00 0.00 C ATOM 698 CD1 TYR A 50 -11.534 0.939 -5.941 1.00 0.00 C ATOM 699 CD2 TYR A 50 -12.021 -1.428 -5.731 1.00 0.00 C ATOM 700 CE1 TYR A 50 -12.177 0.960 -7.185 1.00 0.00 C ATOM 701 CE2 TYR A 50 -12.663 -1.405 -6.975 1.00 0.00 C ATOM 702 CZ TYR A 50 -12.741 -0.212 -7.703 1.00 0.00 C ATOM 703 OH TYR A 50 -13.376 -0.190 -8.928 1.00 0.00 O ATOM 0 H TYR A 50 -10.144 -0.206 -1.491 1.00 0.00 H new ATOM 0 HA TYR A 50 -11.818 1.413 -3.055 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -9.818 0.261 -3.931 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -10.527 -1.305 -3.592 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -11.099 1.843 -5.542 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -11.962 -2.349 -5.171 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -12.238 1.881 -7.745 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -13.099 -2.309 -7.374 1.00 0.00 H new ATOM 0 HH TYR A 50 -13.710 -1.087 -9.140 1.00 0.00 H new ATOM 713 N HIS A 51 -13.064 -1.542 -2.249 1.00 0.00 N ATOM 714 CA HIS A 51 -14.304 -2.307 -2.189 1.00 0.00 C ATOM 715 C HIS A 51 -15.248 -1.716 -1.146 1.00 0.00 C ATOM 716 O HIS A 51 -16.468 -1.834 -1.260 1.00 0.00 O ATOM 717 CB HIS A 51 -14.003 -3.766 -1.840 1.00 0.00 C ATOM 718 CG HIS A 51 -15.283 -4.553 -1.825 1.00 0.00 C ATOM 719 ND1 HIS A 51 -15.581 -5.499 -2.794 1.00 0.00 N ATOM 720 CD2 HIS A 51 -16.355 -4.546 -0.967 1.00 0.00 C ATOM 721 CE1 HIS A 51 -16.787 -6.018 -2.497 1.00 0.00 C ATOM 722 NE2 HIS A 51 -17.303 -5.472 -1.394 1.00 0.00 N ATOM 0 H HIS A 51 -12.258 -2.003 -1.827 1.00 0.00 H new ATOM 0 HA HIS A 51 -14.785 -2.260 -3.166 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -13.312 -4.190 -2.568 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -13.516 -3.825 -0.867 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -16.449 -3.918 -0.094 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -17.277 -6.783 -3.080 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -18.199 -5.687 -0.957 1.00 0.00 H new ATOM 730 N ALA A 52 -14.674 -1.081 -0.129 1.00 0.00 N ATOM 731 CA ALA A 52 -15.472 -0.475 0.929 1.00 0.00 C ATOM 732 C ALA A 52 -16.035 0.867 0.474 1.00 0.00 C ATOM 733 O ALA A 52 -17.105 1.286 0.919 1.00 0.00 O ATOM 734 CB ALA A 52 -14.616 -0.273 2.181 1.00 0.00 C ATOM 0 H ALA A 52 -13.666 -0.973 -0.016 1.00 0.00 H new ATOM 0 HA ALA A 52 -16.300 -1.144 1.160 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -15.221 0.180 2.966 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -14.240 -1.237 2.524 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -13.777 0.382 1.946 1.00 0.00 H new ATOM 740 N TRP A 53 -15.310 1.537 -0.415 1.00 0.00 N ATOM 741 CA TRP A 53 -15.749 2.833 -0.922 1.00 0.00 C ATOM 742 C TRP A 53 -17.166 2.731 -1.479 1.00 0.00 C ATOM 743 O TRP A 53 -18.052 3.497 -1.095 1.00 0.00 O ATOM 744 CB TRP A 53 -14.791 3.315 -2.020 1.00 0.00 C ATOM 745 CG TRP A 53 -14.705 4.809 -1.996 1.00 0.00 C ATOM 746 CD1 TRP A 53 -14.267 5.543 -0.946 1.00 0.00 C ATOM 747 CD2 TRP A 53 -15.052 5.760 -3.043 1.00 0.00 C ATOM 748 NE1 TRP A 53 -14.326 6.883 -1.283 1.00 0.00 N ATOM 749 CE2 TRP A 53 -14.803 7.069 -2.566 1.00 0.00 C ATOM 750 CE3 TRP A 53 -15.556 5.615 -4.349 1.00 0.00 C ATOM 751 CZ2 TRP A 53 -15.044 8.193 -3.355 1.00 0.00 C ATOM 752 CZ3 TRP A 53 -15.800 6.746 -5.146 1.00 0.00 C ATOM 753 CH2 TRP A 53 -15.545 8.032 -4.650 1.00 0.00 C ATOM 0 H TRP A 53 -14.423 1.208 -0.797 1.00 0.00 H new ATOM 0 HA TRP A 53 -15.745 3.551 -0.101 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -13.802 2.882 -1.869 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -15.141 2.977 -2.995 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -13.927 5.147 -0.000 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -14.051 7.642 -0.660 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -15.756 4.629 -4.741 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -14.845 9.181 -2.968 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -16.186 6.624 -6.147 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -15.735 8.897 -5.268 1.00 0.00 H new ATOM 764 N LYS A 54 -17.374 1.780 -2.384 1.00 0.00 N ATOM 765 CA LYS A 54 -18.688 1.582 -2.987 1.00 0.00 C ATOM 766 C LYS A 54 -19.549 0.685 -2.104 1.00 0.00 C ATOM 767 O LYS A 54 -20.611 1.093 -1.633 1.00 0.00 O ATOM 768 CB LYS A 54 -18.537 0.950 -4.374 1.00 0.00 C ATOM 769 CG LYS A 54 -19.918 0.779 -5.027 1.00 0.00 C ATOM 770 CD LYS A 54 -20.366 -0.682 -4.929 1.00 0.00 C ATOM 771 CE LYS A 54 -21.813 -0.807 -5.409 1.00 0.00 C ATOM 772 NZ LYS A 54 -22.701 -0.001 -4.522 1.00 0.00 N ATOM 0 H LYS A 54 -16.654 1.137 -2.715 1.00 0.00 H new ATOM 0 HA LYS A 54 -19.175 2.552 -3.084 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -17.904 1.577 -5.002 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -18.043 -0.018 -4.290 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -20.645 1.425 -4.534 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -19.876 1.086 -6.072 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -19.716 -1.314 -5.534 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -20.282 -1.031 -3.900 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -21.897 -0.460 -6.439 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -22.122 -1.852 -5.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -23.513 -0.579 -4.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -22.168 0.305 -3.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -23.042 0.835 -5.039 1.00 0.00 H new ATOM 786 N SER A 55 -19.081 -0.541 -1.879 1.00 0.00 N ATOM 787 CA SER A 55 -19.813 -1.490 -1.051 1.00 0.00 C ATOM 788 C SER A 55 -21.306 -1.439 -1.363 1.00 0.00 C ATOM 789 O SER A 55 -21.778 -2.094 -2.292 1.00 0.00 O ATOM 790 CB SER A 55 -19.590 -1.172 0.429 1.00 0.00 C ATOM 791 OG SER A 55 -20.483 -1.947 1.216 1.00 0.00 O ATOM 0 H SER A 55 -18.203 -0.897 -2.257 1.00 0.00 H new ATOM 0 HA SER A 55 -19.443 -2.492 -1.269 1.00 0.00 H new ATOM 0 HB2 SER A 55 -18.559 -1.389 0.708 1.00 0.00 H new ATOM 0 HB3 SER A 55 -19.753 -0.110 0.613 1.00 0.00 H new ATOM 0 HG SER A 55 -20.341 -1.747 2.165 1.00 0.00 H new ATOM 797 N LYS A 56 -22.042 -0.658 -0.579 1.00 0.00 N ATOM 798 CA LYS A 56 -23.482 -0.528 -0.779 1.00 0.00 C ATOM 799 C LYS A 56 -23.980 0.800 -0.218 1.00 0.00 C ATOM 800 O LYS A 56 -23.865 1.063 0.980 1.00 0.00 O ATOM 801 CB LYS A 56 -24.211 -1.681 -0.089 1.00 0.00 C ATOM 802 CG LYS A 56 -25.682 -1.682 -0.513 1.00 0.00 C ATOM 803 CD LYS A 56 -26.455 -2.706 0.323 1.00 0.00 C ATOM 804 CE LYS A 56 -25.914 -4.112 0.047 1.00 0.00 C ATOM 805 NZ LYS A 56 -26.949 -5.121 0.412 1.00 0.00 N ATOM 0 H LYS A 56 -21.669 -0.109 0.196 1.00 0.00 H new ATOM 0 HA LYS A 56 -23.687 -0.559 -1.849 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -23.745 -2.630 -0.353 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -24.134 -1.578 0.993 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -26.111 -0.689 -0.378 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -25.766 -1.924 -1.572 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -26.360 -2.471 1.383 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -27.517 -2.660 0.081 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -25.649 -4.211 -1.006 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -25.004 -4.283 0.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -26.583 -6.077 0.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -27.181 -5.030 1.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -27.805 -4.961 -0.156 1.00 0.00 H new ATOM 819 N ASN A 57 -24.536 1.635 -1.092 1.00 0.00 N ATOM 820 CA ASN A 57 -25.050 2.934 -0.673 1.00 0.00 C ATOM 821 C ASN A 57 -26.088 3.443 -1.668 1.00 0.00 C ATOM 822 O ASN A 57 -26.447 4.621 -1.660 1.00 0.00 O ATOM 823 CB ASN A 57 -23.902 3.941 -0.571 1.00 0.00 C ATOM 824 CG ASN A 57 -23.284 4.170 -1.944 1.00 0.00 C ATOM 825 OD1 ASN A 57 -22.436 5.046 -2.106 1.00 0.00 O ATOM 826 ND2 ASN A 57 -23.660 3.427 -2.950 1.00 0.00 N ATOM 0 H ASN A 57 -24.641 1.437 -2.087 1.00 0.00 H new ATOM 0 HA ASN A 57 -25.522 2.821 0.303 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -24.270 4.884 -0.167 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -23.145 3.572 0.121 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -23.250 3.572 -3.873 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -24.363 2.701 -2.813 1.00 0.00 H new ATOM 833 N LYS A 58 -26.569 2.547 -2.524 1.00 0.00 N ATOM 834 CA LYS A 58 -27.566 2.916 -3.522 1.00 0.00 C ATOM 835 C LYS A 58 -28.933 3.103 -2.870 1.00 0.00 C ATOM 836 O LYS A 58 -29.890 2.407 -3.200 1.00 0.00 O ATOM 837 CB LYS A 58 -27.658 1.829 -4.595 1.00 0.00 C ATOM 838 CG LYS A 58 -26.378 1.833 -5.437 1.00 0.00 C ATOM 839 CD LYS A 58 -26.427 0.686 -6.446 1.00 0.00 C ATOM 840 CE LYS A 58 -25.243 0.803 -7.409 1.00 0.00 C ATOM 841 NZ LYS A 58 -25.379 2.047 -8.215 1.00 0.00 N ATOM 0 H LYS A 58 -26.287 1.567 -2.547 1.00 0.00 H new ATOM 0 HA LYS A 58 -27.262 3.857 -3.981 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -27.796 0.854 -4.129 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -28.525 2.004 -5.232 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -26.276 2.785 -5.958 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -25.506 1.727 -4.792 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -26.394 -0.272 -5.926 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -27.365 0.715 -7.001 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -24.307 0.819 -6.851 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -25.207 -0.066 -8.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -25.446 1.802 -9.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -26.238 2.557 -7.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -24.548 2.653 -8.061 1.00 0.00 H new ATOM 855 N LYS A 59 -29.014 4.051 -1.941 1.00 0.00 N ATOM 856 CA LYS A 59 -30.268 4.323 -1.249 1.00 0.00 C ATOM 857 C LYS A 59 -31.209 5.124 -2.141 1.00 0.00 C ATOM 858 O LYS A 59 -31.580 6.253 -1.816 1.00 0.00 O ATOM 859 CB LYS A 59 -29.996 5.102 0.039 1.00 0.00 C ATOM 860 CG LYS A 59 -28.804 4.482 0.771 1.00 0.00 C ATOM 861 CD LYS A 59 -28.649 5.138 2.144 1.00 0.00 C ATOM 862 CE LYS A 59 -27.537 4.434 2.923 1.00 0.00 C ATOM 863 NZ LYS A 59 -27.173 5.251 4.114 1.00 0.00 N ATOM 0 H LYS A 59 -28.232 4.639 -1.652 1.00 0.00 H new ATOM 0 HA LYS A 59 -30.740 3.371 -1.005 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -29.790 6.147 -0.193 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -30.878 5.085 0.679 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -28.952 3.408 0.884 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -27.894 4.618 0.187 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -28.413 6.196 2.029 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -29.587 5.079 2.695 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -27.868 3.443 3.235 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -26.665 4.292 2.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -26.417 4.773 4.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -26.841 6.187 3.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -28.007 5.364 4.725 1.00 0.00 H new ATOM 877 N ARG A 60 -31.593 4.535 -3.269 1.00 0.00 N ATOM 878 CA ARG A 60 -32.492 5.205 -4.202 1.00 0.00 C ATOM 879 C ARG A 60 -33.864 5.413 -3.569 1.00 0.00 C ATOM 880 O ARG A 60 -34.627 4.461 -3.527 1.00 0.00 O ATOM 881 CB ARG A 60 -32.637 4.370 -5.476 1.00 0.00 C ATOM 882 CG ARG A 60 -31.264 3.847 -5.903 1.00 0.00 C ATOM 883 CD ARG A 60 -31.341 3.319 -7.336 1.00 0.00 C ATOM 884 NE ARG A 60 -30.025 2.872 -7.781 1.00 0.00 N ATOM 885 CZ ARG A 60 -29.743 2.745 -9.074 1.00 0.00 C ATOM 886 NH1 ARG A 60 -30.650 3.022 -9.969 1.00 0.00 N ATOM 887 NH2 ARG A 60 -28.559 2.344 -9.447 1.00 0.00 N ATOM 888 OXT ARG A 60 -34.131 6.520 -3.134 1.00 0.00 O ATOM 0 H ARG A 60 -31.298 3.602 -3.558 1.00 0.00 H new ATOM 0 HA ARG A 60 -32.069 6.178 -4.451 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -33.317 3.536 -5.302 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -33.071 4.975 -6.272 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -30.523 4.644 -5.837 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -30.940 3.054 -5.229 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -32.051 2.493 -7.389 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -31.711 4.100 -8.000 1.00 0.00 H new ATOM 0 HE ARG A 60 -29.309 2.653 -7.088 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -31.575 3.336 -9.677 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -30.434 2.925 -10.961 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -27.850 2.128 -8.747 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -28.343 2.247 -10.439 1.00 0.00 H new TER 902 ARG A 60