USER MOD reduce.3.24.130724 H: found=0, std=0, add=401, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 404 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 63 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 72 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 2.1: A 48 MET CE :methyl 165:sc= -0.389 (180deg=-1.08) USER MOD Set 2.2: A 55 TYR OH : rot 30:sc= 0 USER MOD Set 3.1: A 35 LYS NZ :NH3+ 144:sc= 0.938 (180deg=-0.298) USER MOD Set 3.2: A 59 TYR OH : rot 30:sc= 0.812 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.00256 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc=-0.00784 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 19 -2.136 -5.290 23.017 1.00 0.00 N ATOM 2 CA GLY A 19 -0.814 -5.635 22.452 1.00 0.00 C ATOM 3 C GLY A 19 0.132 -4.446 22.503 1.00 0.00 C ATOM 4 O GLY A 19 0.233 -3.775 23.530 1.00 0.00 O ATOM 0 HA2 GLY A 19 -0.385 -6.469 23.007 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -0.932 -5.966 21.420 1.00 0.00 H new ATOM 10 N ASP A 20 0.844 -4.181 21.405 1.00 0.00 N ATOM 11 CA ASP A 20 1.766 -3.041 21.257 1.00 0.00 C ATOM 12 C ASP A 20 1.062 -1.663 21.253 1.00 0.00 C ATOM 13 O ASP A 20 -0.163 -1.567 21.121 1.00 0.00 O ATOM 14 CB ASP A 20 2.610 -3.235 19.986 1.00 0.00 C ATOM 15 CG ASP A 20 1.795 -3.041 18.696 1.00 0.00 C ATOM 16 OD1 ASP A 20 1.127 -4.006 18.251 1.00 0.00 O ATOM 17 OD2 ASP A 20 1.835 -1.926 18.127 1.00 0.00 O ATOM 0 H ASP A 20 0.797 -4.765 20.570 1.00 0.00 H new ATOM 0 HA ASP A 20 2.409 -3.030 22.137 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.441 -2.529 19.995 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.042 -4.236 19.991 1.00 0.00 H new ATOM 22 N LYS A 21 1.855 -0.588 21.387 1.00 0.00 N ATOM 23 CA LYS A 21 1.409 0.819 21.491 1.00 0.00 C ATOM 24 C LYS A 21 2.121 1.777 20.516 1.00 0.00 C ATOM 25 O LYS A 21 1.960 2.994 20.619 1.00 0.00 O ATOM 26 CB LYS A 21 1.541 1.286 22.960 1.00 0.00 C ATOM 27 CG LYS A 21 0.630 0.546 23.958 1.00 0.00 C ATOM 28 CD LYS A 21 -0.860 0.865 23.757 1.00 0.00 C ATOM 29 CE LYS A 21 -1.711 0.115 24.788 1.00 0.00 C ATOM 30 NZ LYS A 21 -3.153 0.441 24.642 1.00 0.00 N ATOM 0 H LYS A 21 2.870 -0.675 21.428 1.00 0.00 H new ATOM 0 HA LYS A 21 0.363 0.853 21.187 1.00 0.00 H new ATOM 0 HB2 LYS A 21 2.577 1.161 23.274 1.00 0.00 H new ATOM 0 HB3 LYS A 21 1.319 2.352 23.009 1.00 0.00 H new ATOM 0 HG2 LYS A 21 0.784 -0.528 23.855 1.00 0.00 H new ATOM 0 HG3 LYS A 21 0.920 0.813 24.974 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -1.025 1.938 23.852 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -1.166 0.583 22.749 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -1.566 -0.959 24.670 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -1.378 0.373 25.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -3.701 -0.083 25.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -3.294 1.462 24.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -3.475 0.172 23.691 1.00 0.00 H new ATOM 44 N GLU A 22 2.904 1.253 19.570 1.00 0.00 N ATOM 45 CA GLU A 22 3.573 2.034 18.518 1.00 0.00 C ATOM 46 C GLU A 22 2.554 2.748 17.605 1.00 0.00 C ATOM 47 O GLU A 22 1.565 2.156 17.166 1.00 0.00 O ATOM 48 CB GLU A 22 4.497 1.111 17.709 1.00 0.00 C ATOM 49 CG GLU A 22 5.351 1.877 16.689 1.00 0.00 C ATOM 50 CD GLU A 22 6.352 0.936 15.996 1.00 0.00 C ATOM 51 OE1 GLU A 22 5.977 0.279 14.996 1.00 0.00 O ATOM 52 OE2 GLU A 22 7.522 0.851 16.444 1.00 0.00 O ATOM 0 H GLU A 22 3.097 0.253 19.510 1.00 0.00 H new ATOM 0 HA GLU A 22 4.172 2.814 18.988 1.00 0.00 H new ATOM 0 HB2 GLU A 22 5.152 0.570 18.392 1.00 0.00 H new ATOM 0 HB3 GLU A 22 3.895 0.367 17.187 1.00 0.00 H new ATOM 0 HG2 GLU A 22 4.705 2.341 15.943 1.00 0.00 H new ATOM 0 HG3 GLU A 22 5.889 2.682 17.190 1.00 0.00 H new ATOM 59 N GLU A 23 2.786 4.032 17.325 1.00 0.00 N ATOM 60 CA GLU A 23 1.855 4.909 16.600 1.00 0.00 C ATOM 61 C GLU A 23 1.677 4.505 15.132 1.00 0.00 C ATOM 62 O GLU A 23 0.552 4.355 14.648 1.00 0.00 O ATOM 63 CB GLU A 23 2.312 6.381 16.669 1.00 0.00 C ATOM 64 CG GLU A 23 2.717 6.876 18.064 1.00 0.00 C ATOM 65 CD GLU A 23 4.238 6.775 18.313 1.00 0.00 C ATOM 66 OE1 GLU A 23 4.747 5.651 18.540 1.00 0.00 O ATOM 67 OE2 GLU A 23 4.933 7.821 18.286 1.00 0.00 O ATOM 0 H GLU A 23 3.646 4.505 17.601 1.00 0.00 H new ATOM 0 HA GLU A 23 0.891 4.798 17.097 1.00 0.00 H new ATOM 0 HB2 GLU A 23 3.158 6.514 15.994 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.505 7.013 16.297 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.401 7.912 18.183 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.190 6.293 18.819 1.00 0.00 H new ATOM 74 N CYS A 24 2.802 4.348 14.429 1.00 0.00 N ATOM 75 CA CYS A 24 2.896 4.095 12.984 1.00 0.00 C ATOM 76 C CYS A 24 1.988 5.025 12.133 1.00 0.00 C ATOM 77 O CYS A 24 1.369 4.606 11.151 1.00 0.00 O ATOM 78 CB CYS A 24 2.674 2.596 12.719 1.00 0.00 C ATOM 79 SG CYS A 24 3.352 2.048 11.120 1.00 0.00 S ATOM 0 H CYS A 24 3.719 4.396 14.872 1.00 0.00 H new ATOM 0 HA CYS A 24 3.901 4.353 12.651 1.00 0.00 H new ATOM 0 HB2 CYS A 24 3.136 2.019 13.520 1.00 0.00 H new ATOM 0 HB3 CYS A 24 1.606 2.382 12.747 1.00 0.00 H new ATOM 84 N THR A 25 1.871 6.297 12.534 1.00 0.00 N ATOM 85 CA THR A 25 0.988 7.305 11.918 1.00 0.00 C ATOM 86 C THR A 25 1.336 7.543 10.442 1.00 0.00 C ATOM 87 O THR A 25 2.510 7.543 10.062 1.00 0.00 O ATOM 88 CB THR A 25 1.084 8.639 12.684 1.00 0.00 C ATOM 89 OG1 THR A 25 1.048 8.414 14.080 1.00 0.00 O ATOM 90 CG2 THR A 25 -0.062 9.603 12.375 1.00 0.00 C ATOM 0 H THR A 25 2.404 6.668 13.321 1.00 0.00 H new ATOM 0 HA THR A 25 -0.030 6.918 11.972 1.00 0.00 H new ATOM 0 HB THR A 25 2.026 9.082 12.360 1.00 0.00 H new ATOM 0 HG1 THR A 25 1.112 9.271 14.551 1.00 0.00 H new ATOM 0 HG21 THR A 25 0.070 10.521 12.949 1.00 0.00 H new ATOM 0 HG22 THR A 25 -0.063 9.837 11.311 1.00 0.00 H new ATOM 0 HG23 THR A 25 -1.011 9.139 12.645 1.00 0.00 H new ATOM 98 N VAL A 26 0.317 7.801 9.615 1.00 0.00 N ATOM 99 CA VAL A 26 0.439 8.053 8.167 1.00 0.00 C ATOM 100 C VAL A 26 -0.180 9.420 7.817 1.00 0.00 C ATOM 101 O VAL A 26 -1.342 9.489 7.404 1.00 0.00 O ATOM 102 CB VAL A 26 -0.164 6.899 7.336 1.00 0.00 C ATOM 103 CG1 VAL A 26 0.133 7.080 5.842 1.00 0.00 C ATOM 104 CG2 VAL A 26 0.399 5.530 7.745 1.00 0.00 C ATOM 0 H VAL A 26 -0.648 7.842 9.941 1.00 0.00 H new ATOM 0 HA VAL A 26 1.496 8.090 7.905 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.237 6.929 7.527 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -0.303 6.253 5.282 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -0.298 8.020 5.497 1.00 0.00 H new ATOM 0 HG13 VAL A 26 1.211 7.096 5.685 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -0.056 4.752 7.132 1.00 0.00 H new ATOM 0 HG22 VAL A 26 1.479 5.522 7.599 1.00 0.00 H new ATOM 0 HG23 VAL A 26 0.174 5.343 8.795 1.00 0.00 H new ATOM 114 N PRO A 27 0.558 10.529 8.018 1.00 0.00 N ATOM 115 CA PRO A 27 0.118 11.865 7.617 1.00 0.00 C ATOM 116 C PRO A 27 0.229 12.063 6.095 1.00 0.00 C ATOM 117 O PRO A 27 0.972 11.355 5.412 1.00 0.00 O ATOM 118 CB PRO A 27 1.048 12.818 8.379 1.00 0.00 C ATOM 119 CG PRO A 27 2.357 12.032 8.467 1.00 0.00 C ATOM 120 CD PRO A 27 1.878 10.589 8.630 1.00 0.00 C ATOM 0 HA PRO A 27 -0.932 12.040 7.851 1.00 0.00 H new ATOM 0 HB2 PRO A 27 1.180 13.761 7.849 1.00 0.00 H new ATOM 0 HB3 PRO A 27 0.656 13.059 9.367 1.00 0.00 H new ATOM 0 HG2 PRO A 27 2.965 12.157 7.571 1.00 0.00 H new ATOM 0 HG3 PRO A 27 2.966 12.354 9.312 1.00 0.00 H new ATOM 0 HD2 PRO A 27 2.564 9.894 8.146 1.00 0.00 H new ATOM 0 HD3 PRO A 27 1.832 10.310 9.683 1.00 0.00 H new ATOM 128 N ILE A 28 -0.443 13.094 5.567 1.00 0.00 N ATOM 129 CA ILE A 28 -0.380 13.496 4.146 1.00 0.00 C ATOM 130 C ILE A 28 1.051 13.801 3.658 1.00 0.00 C ATOM 131 O ILE A 28 1.364 13.621 2.480 1.00 0.00 O ATOM 132 CB ILE A 28 -1.350 14.677 3.889 1.00 0.00 C ATOM 133 CG1 ILE A 28 -1.453 15.100 2.406 1.00 0.00 C ATOM 134 CG2 ILE A 28 -0.983 15.923 4.716 1.00 0.00 C ATOM 135 CD1 ILE A 28 -1.960 13.991 1.476 1.00 0.00 C ATOM 0 H ILE A 28 -1.059 13.687 6.122 1.00 0.00 H new ATOM 0 HA ILE A 28 -0.702 12.642 3.551 1.00 0.00 H new ATOM 0 HB ILE A 28 -2.319 14.287 4.201 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -2.120 15.958 2.329 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -0.472 15.428 2.063 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -1.691 16.723 4.502 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.021 15.679 5.778 1.00 0.00 H new ATOM 0 HG23 ILE A 28 0.024 16.250 4.455 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -2.004 14.366 0.453 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -1.281 13.139 1.521 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -2.955 13.679 1.791 1.00 0.00 H new ATOM 147 N GLY A 29 1.942 14.211 4.567 1.00 0.00 N ATOM 148 CA GLY A 29 3.349 14.505 4.280 1.00 0.00 C ATOM 149 C GLY A 29 4.265 13.276 4.159 1.00 0.00 C ATOM 150 O GLY A 29 5.442 13.439 3.824 1.00 0.00 O ATOM 0 H GLY A 29 1.698 14.351 5.547 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.403 15.071 3.350 1.00 0.00 H new ATOM 0 HA3 GLY A 29 3.736 15.150 5.068 1.00 0.00 H new ATOM 154 N TRP A 30 3.775 12.056 4.423 1.00 0.00 N ATOM 155 CA TRP A 30 4.523 10.815 4.193 1.00 0.00 C ATOM 156 C TRP A 30 4.658 10.511 2.685 1.00 0.00 C ATOM 157 O TRP A 30 3.873 10.992 1.864 1.00 0.00 O ATOM 158 CB TRP A 30 3.821 9.670 4.943 1.00 0.00 C ATOM 159 CG TRP A 30 4.634 8.419 5.064 1.00 0.00 C ATOM 160 CD1 TRP A 30 4.615 7.389 4.191 1.00 0.00 C ATOM 161 CD2 TRP A 30 5.630 8.070 6.074 1.00 0.00 C ATOM 162 NE1 TRP A 30 5.563 6.451 4.554 1.00 0.00 N ATOM 163 CE2 TRP A 30 6.228 6.829 5.701 1.00 0.00 C ATOM 164 CE3 TRP A 30 6.105 8.686 7.252 1.00 0.00 C ATOM 165 CZ2 TRP A 30 7.272 6.250 6.437 1.00 0.00 C ATOM 166 CZ3 TRP A 30 7.135 8.099 8.015 1.00 0.00 C ATOM 167 CH2 TRP A 30 7.724 6.887 7.606 1.00 0.00 C ATOM 0 H TRP A 30 2.842 11.903 4.805 1.00 0.00 H new ATOM 0 HA TRP A 30 5.537 10.925 4.576 1.00 0.00 H new ATOM 0 HB2 TRP A 30 3.557 10.015 5.943 1.00 0.00 H new ATOM 0 HB3 TRP A 30 2.888 9.434 4.430 1.00 0.00 H new ATOM 0 HD1 TRP A 30 3.958 7.310 3.338 1.00 0.00 H new ATOM 0 HE1 TRP A 30 5.747 5.590 4.039 1.00 0.00 H new ATOM 0 HE3 TRP A 30 5.673 9.622 7.574 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 7.724 5.325 6.109 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 7.475 8.582 8.919 1.00 0.00 H new ATOM 0 HH2 TRP A 30 8.521 6.448 8.189 1.00 0.00 H new ATOM 178 N SER A 31 5.626 9.671 2.305 1.00 0.00 N ATOM 179 CA SER A 31 5.834 9.187 0.924 1.00 0.00 C ATOM 180 C SER A 31 4.833 8.077 0.537 1.00 0.00 C ATOM 181 O SER A 31 5.211 6.967 0.158 1.00 0.00 O ATOM 182 CB SER A 31 7.287 8.722 0.740 1.00 0.00 C ATOM 183 OG SER A 31 8.191 9.808 0.903 1.00 0.00 O ATOM 0 H SER A 31 6.309 9.295 2.963 1.00 0.00 H new ATOM 0 HA SER A 31 5.646 10.020 0.247 1.00 0.00 H new ATOM 0 HB2 SER A 31 7.517 7.940 1.463 1.00 0.00 H new ATOM 0 HB3 SER A 31 7.411 8.286 -0.251 1.00 0.00 H new ATOM 0 HG SER A 31 9.110 9.489 0.783 1.00 0.00 H new ATOM 189 N GLU A 32 3.534 8.357 0.669 1.00 0.00 N ATOM 190 CA GLU A 32 2.433 7.450 0.306 1.00 0.00 C ATOM 191 C GLU A 32 2.317 7.195 -1.218 1.00 0.00 C ATOM 192 O GLU A 32 2.756 8.030 -2.021 1.00 0.00 O ATOM 193 CB GLU A 32 1.109 7.982 0.895 1.00 0.00 C ATOM 194 CG GLU A 32 0.711 9.385 0.411 1.00 0.00 C ATOM 195 CD GLU A 32 -0.705 9.769 0.893 1.00 0.00 C ATOM 196 OE1 GLU A 32 -0.927 9.887 2.121 1.00 0.00 O ATOM 197 OE2 GLU A 32 -1.606 9.969 0.041 1.00 0.00 O ATOM 0 H GLU A 32 3.205 9.247 1.043 1.00 0.00 H new ATOM 0 HA GLU A 32 2.659 6.476 0.741 1.00 0.00 H new ATOM 0 HB2 GLU A 32 0.309 7.285 0.644 1.00 0.00 H new ATOM 0 HB3 GLU A 32 1.190 7.996 1.982 1.00 0.00 H new ATOM 0 HG2 GLU A 32 1.432 10.116 0.778 1.00 0.00 H new ATOM 0 HG3 GLU A 32 0.748 9.420 -0.678 1.00 0.00 H new ATOM 204 N PRO A 33 1.712 6.063 -1.642 1.00 0.00 N ATOM 205 CA PRO A 33 1.450 5.778 -3.057 1.00 0.00 C ATOM 206 C PRO A 33 0.325 6.654 -3.644 1.00 0.00 C ATOM 207 O PRO A 33 -0.386 7.355 -2.920 1.00 0.00 O ATOM 208 CB PRO A 33 1.098 4.288 -3.090 1.00 0.00 C ATOM 209 CG PRO A 33 0.443 4.045 -1.733 1.00 0.00 C ATOM 210 CD PRO A 33 1.267 4.945 -0.814 1.00 0.00 C ATOM 0 HA PRO A 33 2.314 6.011 -3.679 1.00 0.00 H new ATOM 0 HB2 PRO A 33 0.420 4.054 -3.910 1.00 0.00 H new ATOM 0 HB3 PRO A 33 1.985 3.669 -3.224 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -0.612 4.320 -1.734 1.00 0.00 H new ATOM 0 HG3 PRO A 33 0.499 2.998 -1.435 1.00 0.00 H new ATOM 0 HD2 PRO A 33 0.669 5.296 0.027 1.00 0.00 H new ATOM 0 HD3 PRO A 33 2.117 4.405 -0.398 1.00 0.00 H new ATOM 218 N VAL A 34 0.138 6.589 -4.968 1.00 0.00 N ATOM 219 CA VAL A 34 -0.859 7.373 -5.726 1.00 0.00 C ATOM 220 C VAL A 34 -1.829 6.471 -6.498 1.00 0.00 C ATOM 221 O VAL A 34 -1.422 5.518 -7.167 1.00 0.00 O ATOM 222 CB VAL A 34 -0.169 8.423 -6.621 1.00 0.00 C ATOM 223 CG1 VAL A 34 0.664 7.821 -7.757 1.00 0.00 C ATOM 224 CG2 VAL A 34 -1.174 9.413 -7.220 1.00 0.00 C ATOM 0 H VAL A 34 0.690 5.972 -5.564 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.472 7.922 -5.011 1.00 0.00 H new ATOM 0 HB VAL A 34 0.512 8.944 -5.948 1.00 0.00 H new ATOM 0 HG11 VAL A 34 1.117 8.623 -8.341 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.448 7.190 -7.338 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.021 7.221 -8.401 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -0.646 10.135 -7.843 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.900 8.872 -7.827 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.691 9.937 -6.416 1.00 0.00 H new ATOM 234 N LYS A 35 -3.130 6.766 -6.386 1.00 0.00 N ATOM 235 CA LYS A 35 -4.220 6.073 -7.092 1.00 0.00 C ATOM 236 C LYS A 35 -4.409 6.660 -8.501 1.00 0.00 C ATOM 237 O LYS A 35 -4.382 7.879 -8.675 1.00 0.00 O ATOM 238 CB LYS A 35 -5.506 6.200 -6.248 1.00 0.00 C ATOM 239 CG LYS A 35 -6.551 5.124 -6.594 1.00 0.00 C ATOM 240 CD LYS A 35 -7.966 5.411 -6.056 1.00 0.00 C ATOM 241 CE LYS A 35 -8.233 5.036 -4.586 1.00 0.00 C ATOM 242 NZ LYS A 35 -7.617 5.973 -3.610 1.00 0.00 N ATOM 0 H LYS A 35 -3.466 7.517 -5.783 1.00 0.00 H new ATOM 0 HA LYS A 35 -3.977 5.018 -7.217 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -5.251 6.126 -5.191 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -5.942 7.187 -6.403 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -6.602 5.021 -7.678 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -6.213 4.166 -6.198 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -8.168 6.475 -6.178 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -8.683 4.877 -6.680 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -9.309 5.006 -4.418 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -7.853 4.031 -4.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -8.246 6.082 -2.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -6.701 5.594 -3.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -7.473 6.899 -4.061 1.00 0.00 H new ATOM 256 N GLY A 36 -4.657 5.811 -9.496 1.00 0.00 N ATOM 257 CA GLY A 36 -4.901 6.192 -10.898 1.00 0.00 C ATOM 258 C GLY A 36 -6.346 6.594 -11.251 1.00 0.00 C ATOM 259 O GLY A 36 -6.602 6.967 -12.395 1.00 0.00 O ATOM 0 H GLY A 36 -4.696 4.802 -9.350 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -4.243 7.025 -11.146 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -4.612 5.356 -11.536 1.00 0.00 H new ATOM 263 N LEU A 37 -7.291 6.519 -10.297 1.00 0.00 N ATOM 264 CA LEU A 37 -8.729 6.845 -10.442 1.00 0.00 C ATOM 265 C LEU A 37 -9.442 6.095 -11.601 1.00 0.00 C ATOM 266 O LEU A 37 -10.436 6.568 -12.160 1.00 0.00 O ATOM 267 CB LEU A 37 -8.931 8.385 -10.469 1.00 0.00 C ATOM 268 CG LEU A 37 -8.859 9.152 -9.132 1.00 0.00 C ATOM 269 CD1 LEU A 37 -9.942 8.712 -8.144 1.00 0.00 C ATOM 270 CD2 LEU A 37 -7.503 9.068 -8.437 1.00 0.00 C ATOM 0 H LEU A 37 -7.064 6.213 -9.351 1.00 0.00 H new ATOM 0 HA LEU A 37 -9.237 6.461 -9.557 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -8.180 8.808 -11.137 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -9.905 8.586 -10.916 1.00 0.00 H new ATOM 0 HG LEU A 37 -9.025 10.190 -9.422 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -9.846 9.283 -7.221 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -10.925 8.889 -8.579 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -9.827 7.650 -7.927 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -7.536 9.633 -7.505 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -7.269 8.026 -8.221 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -6.734 9.485 -9.087 1.00 0.00 H new ATOM 282 N CYS A 38 -8.945 4.908 -11.961 1.00 0.00 N ATOM 283 CA CYS A 38 -9.492 4.032 -13.005 1.00 0.00 C ATOM 284 C CYS A 38 -10.897 3.482 -12.657 1.00 0.00 C ATOM 285 O CYS A 38 -11.367 3.579 -11.520 1.00 0.00 O ATOM 286 CB CYS A 38 -8.511 2.868 -13.236 1.00 0.00 C ATOM 287 SG CYS A 38 -6.752 3.313 -13.225 1.00 0.00 S ATOM 0 H CYS A 38 -8.116 4.514 -11.516 1.00 0.00 H new ATOM 0 HA CYS A 38 -9.610 4.626 -13.911 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -8.682 2.114 -12.467 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -8.744 2.404 -14.194 1.00 0.00 H new ATOM 292 N LYS A 39 -11.546 2.826 -13.630 1.00 0.00 N ATOM 293 CA LYS A 39 -12.865 2.171 -13.491 1.00 0.00 C ATOM 294 C LYS A 39 -12.848 0.835 -12.713 1.00 0.00 C ATOM 295 O LYS A 39 -13.905 0.228 -12.529 1.00 0.00 O ATOM 296 CB LYS A 39 -13.500 2.004 -14.888 1.00 0.00 C ATOM 297 CG LYS A 39 -13.837 3.367 -15.525 1.00 0.00 C ATOM 298 CD LYS A 39 -14.639 3.239 -16.832 1.00 0.00 C ATOM 299 CE LYS A 39 -13.856 2.623 -18.001 1.00 0.00 C ATOM 300 NZ LYS A 39 -12.807 3.539 -18.528 1.00 0.00 N ATOM 0 H LYS A 39 -11.158 2.731 -14.569 1.00 0.00 H new ATOM 0 HA LYS A 39 -13.476 2.830 -12.874 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -12.815 1.458 -15.537 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -14.407 1.405 -14.807 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -14.407 3.964 -14.813 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -12.912 3.907 -15.725 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -15.523 2.631 -16.643 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -14.990 4.228 -17.127 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -13.391 1.693 -17.673 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -14.548 2.368 -18.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -12.307 3.078 -19.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -13.251 4.417 -18.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -12.130 3.763 -17.771 1.00 0.00 H new ATOM 314 N ALA A 40 -11.683 0.384 -12.240 1.00 0.00 N ATOM 315 CA ALA A 40 -11.481 -0.846 -11.463 1.00 0.00 C ATOM 316 C ALA A 40 -10.829 -0.584 -10.086 1.00 0.00 C ATOM 317 O ALA A 40 -10.232 0.472 -9.850 1.00 0.00 O ATOM 318 CB ALA A 40 -10.650 -1.816 -12.315 1.00 0.00 C ATOM 0 H ALA A 40 -10.811 0.890 -12.395 1.00 0.00 H new ATOM 0 HA ALA A 40 -12.452 -1.287 -11.236 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -10.486 -2.739 -11.759 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -11.184 -2.039 -13.239 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -9.689 -1.360 -12.553 1.00 0.00 H new ATOM 324 N ARG A 41 -10.922 -1.573 -9.185 1.00 0.00 N ATOM 325 CA ARG A 41 -10.464 -1.527 -7.782 1.00 0.00 C ATOM 326 C ARG A 41 -9.641 -2.766 -7.407 1.00 0.00 C ATOM 327 O ARG A 41 -10.161 -3.753 -6.886 1.00 0.00 O ATOM 328 CB ARG A 41 -11.646 -1.265 -6.824 1.00 0.00 C ATOM 329 CG ARG A 41 -12.893 -2.135 -7.046 1.00 0.00 C ATOM 330 CD ARG A 41 -13.890 -1.952 -5.898 1.00 0.00 C ATOM 331 NE ARG A 41 -15.161 -2.624 -6.217 1.00 0.00 N ATOM 332 CZ ARG A 41 -16.075 -3.090 -5.383 1.00 0.00 C ATOM 333 NH1 ARG A 41 -15.948 -2.995 -4.090 1.00 0.00 N ATOM 334 NH2 ARG A 41 -17.149 -3.668 -5.840 1.00 0.00 N ATOM 0 H ARG A 41 -11.339 -2.473 -9.423 1.00 0.00 H new ATOM 0 HA ARG A 41 -9.783 -0.682 -7.674 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -11.300 -1.414 -5.801 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -11.936 -0.218 -6.913 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -13.366 -1.868 -7.991 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -12.603 -3.183 -7.119 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -13.475 -2.361 -4.977 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -14.065 -0.890 -5.724 1.00 0.00 H new ATOM 0 HE ARG A 41 -15.362 -2.746 -7.210 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -15.122 -2.549 -3.690 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -16.674 -3.366 -3.478 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -17.288 -3.763 -6.846 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -17.851 -4.026 -5.192 1.00 0.00 H new ATOM 348 N PHE A 42 -8.343 -2.716 -7.699 1.00 0.00 N ATOM 349 CA PHE A 42 -7.372 -3.749 -7.310 1.00 0.00 C ATOM 350 C PHE A 42 -7.072 -3.705 -5.799 1.00 0.00 C ATOM 351 O PHE A 42 -7.471 -2.768 -5.103 1.00 0.00 O ATOM 352 CB PHE A 42 -6.077 -3.582 -8.130 1.00 0.00 C ATOM 353 CG PHE A 42 -6.269 -3.295 -9.612 1.00 0.00 C ATOM 354 CD1 PHE A 42 -7.151 -4.072 -10.389 1.00 0.00 C ATOM 355 CD2 PHE A 42 -5.571 -2.230 -10.214 1.00 0.00 C ATOM 356 CE1 PHE A 42 -7.352 -3.771 -11.747 1.00 0.00 C ATOM 357 CE2 PHE A 42 -5.771 -1.929 -11.572 1.00 0.00 C ATOM 358 CZ PHE A 42 -6.665 -2.697 -12.338 1.00 0.00 C ATOM 0 H PHE A 42 -7.925 -1.946 -8.221 1.00 0.00 H new ATOM 0 HA PHE A 42 -7.807 -4.725 -7.524 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -5.494 -2.771 -7.694 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -5.484 -4.491 -8.028 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -7.675 -4.902 -9.939 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -4.879 -1.642 -9.629 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -8.035 -4.365 -12.336 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -5.238 -1.107 -12.027 1.00 0.00 H new ATOM 0 HZ PHE A 42 -6.824 -2.462 -13.380 1.00 0.00 H new ATOM 368 N THR A 43 -6.322 -4.687 -5.293 1.00 0.00 N ATOM 369 CA THR A 43 -5.842 -4.749 -3.898 1.00 0.00 C ATOM 370 C THR A 43 -4.316 -4.821 -3.893 1.00 0.00 C ATOM 371 O THR A 43 -3.744 -5.807 -4.366 1.00 0.00 O ATOM 372 CB THR A 43 -6.443 -5.949 -3.143 1.00 0.00 C ATOM 373 OG1 THR A 43 -7.853 -5.952 -3.248 1.00 0.00 O ATOM 374 CG2 THR A 43 -6.129 -5.900 -1.648 1.00 0.00 C ATOM 0 H THR A 43 -6.020 -5.485 -5.852 1.00 0.00 H new ATOM 0 HA THR A 43 -6.168 -3.847 -3.379 1.00 0.00 H new ATOM 0 HB THR A 43 -6.003 -6.837 -3.597 1.00 0.00 H new ATOM 0 HG1 THR A 43 -8.215 -6.723 -2.763 1.00 0.00 H new ATOM 0 HG21 THR A 43 -6.572 -6.765 -1.155 1.00 0.00 H new ATOM 0 HG22 THR A 43 -5.049 -5.913 -1.502 1.00 0.00 H new ATOM 0 HG23 THR A 43 -6.542 -4.987 -1.219 1.00 0.00 H new ATOM 382 N ARG A 44 -3.648 -3.774 -3.394 1.00 0.00 N ATOM 383 CA ARG A 44 -2.183 -3.698 -3.232 1.00 0.00 C ATOM 384 C ARG A 44 -1.808 -3.527 -1.761 1.00 0.00 C ATOM 385 O ARG A 44 -2.643 -3.153 -0.943 1.00 0.00 O ATOM 386 CB ARG A 44 -1.613 -2.544 -4.076 1.00 0.00 C ATOM 387 CG ARG A 44 -1.718 -2.755 -5.590 1.00 0.00 C ATOM 388 CD ARG A 44 -1.156 -4.126 -5.995 1.00 0.00 C ATOM 389 NE ARG A 44 -0.545 -4.097 -7.324 1.00 0.00 N ATOM 390 CZ ARG A 44 -1.026 -4.558 -8.465 1.00 0.00 C ATOM 391 NH1 ARG A 44 -2.227 -5.055 -8.558 1.00 0.00 N ATOM 392 NH2 ARG A 44 -0.313 -4.510 -9.551 1.00 0.00 N ATOM 0 H ARG A 44 -4.123 -2.927 -3.081 1.00 0.00 H new ATOM 0 HA ARG A 44 -1.748 -4.633 -3.584 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -2.136 -1.625 -3.812 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -0.565 -2.401 -3.813 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -2.760 -2.679 -5.900 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -1.173 -1.967 -6.109 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -0.415 -4.445 -5.262 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -1.957 -4.865 -5.980 1.00 0.00 H new ATOM 0 HE ARG A 44 0.376 -3.662 -7.377 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -2.827 -5.097 -7.734 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -2.567 -5.402 -9.455 1.00 0.00 H new ATOM 0 HH21 ARG A 44 0.627 -4.114 -9.527 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -0.693 -4.868 -10.427 1.00 0.00 H new ATOM 406 N TYR A 45 -0.542 -3.758 -1.437 1.00 0.00 N ATOM 407 CA TYR A 45 0.025 -3.661 -0.093 1.00 0.00 C ATOM 408 C TYR A 45 1.310 -2.820 -0.125 1.00 0.00 C ATOM 409 O TYR A 45 2.102 -2.919 -1.066 1.00 0.00 O ATOM 410 CB TYR A 45 0.267 -5.082 0.441 1.00 0.00 C ATOM 411 CG TYR A 45 -0.994 -5.919 0.606 1.00 0.00 C ATOM 412 CD1 TYR A 45 -1.739 -5.845 1.801 1.00 0.00 C ATOM 413 CD2 TYR A 45 -1.430 -6.767 -0.435 1.00 0.00 C ATOM 414 CE1 TYR A 45 -2.902 -6.624 1.959 1.00 0.00 C ATOM 415 CE2 TYR A 45 -2.597 -7.538 -0.282 1.00 0.00 C ATOM 416 CZ TYR A 45 -3.337 -7.472 0.917 1.00 0.00 C ATOM 417 OH TYR A 45 -4.459 -8.227 1.060 1.00 0.00 O ATOM 0 H TYR A 45 0.151 -4.031 -2.134 1.00 0.00 H new ATOM 0 HA TYR A 45 -0.666 -3.156 0.582 1.00 0.00 H new ATOM 0 HB2 TYR A 45 0.945 -5.600 -0.237 1.00 0.00 H new ATOM 0 HB3 TYR A 45 0.771 -5.013 1.405 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -1.417 -5.190 2.597 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -0.865 -6.824 -1.354 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -3.463 -6.572 2.880 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -2.927 -8.182 -1.084 1.00 0.00 H new ATOM 0 HH TYR A 45 -4.608 -8.749 0.244 1.00 0.00 H new ATOM 427 N TYR A 46 1.514 -1.976 0.889 1.00 0.00 N ATOM 428 CA TYR A 46 2.638 -1.036 0.982 1.00 0.00 C ATOM 429 C TYR A 46 3.149 -0.930 2.427 1.00 0.00 C ATOM 430 O TYR A 46 2.354 -0.858 3.365 1.00 0.00 O ATOM 431 CB TYR A 46 2.187 0.350 0.484 1.00 0.00 C ATOM 432 CG TYR A 46 1.919 0.454 -1.010 1.00 0.00 C ATOM 433 CD1 TYR A 46 0.659 0.105 -1.539 1.00 0.00 C ATOM 434 CD2 TYR A 46 2.928 0.934 -1.869 1.00 0.00 C ATOM 435 CE1 TYR A 46 0.402 0.241 -2.918 1.00 0.00 C ATOM 436 CE2 TYR A 46 2.677 1.071 -3.247 1.00 0.00 C ATOM 437 CZ TYR A 46 1.414 0.726 -3.772 1.00 0.00 C ATOM 438 OH TYR A 46 1.181 0.857 -5.104 1.00 0.00 O ATOM 0 H TYR A 46 0.886 -1.925 1.691 1.00 0.00 H new ATOM 0 HA TYR A 46 3.453 -1.405 0.360 1.00 0.00 H new ATOM 0 HB2 TYR A 46 1.280 0.631 1.019 1.00 0.00 H new ATOM 0 HB3 TYR A 46 2.953 1.079 0.750 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -0.114 -0.269 -0.883 1.00 0.00 H new ATOM 0 HD2 TYR A 46 3.896 1.197 -1.469 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -0.565 -0.025 -3.319 1.00 0.00 H new ATOM 0 HE2 TYR A 46 3.452 1.440 -3.903 1.00 0.00 H new ATOM 0 HH TYR A 46 1.985 1.205 -5.544 1.00 0.00 H new ATOM 448 N CYS A 47 4.472 -0.910 2.625 1.00 0.00 N ATOM 449 CA CYS A 47 5.077 -0.762 3.952 1.00 0.00 C ATOM 450 C CYS A 47 5.168 0.719 4.368 1.00 0.00 C ATOM 451 O CYS A 47 6.088 1.440 3.971 1.00 0.00 O ATOM 452 CB CYS A 47 6.439 -1.467 4.017 1.00 0.00 C ATOM 453 SG CYS A 47 6.878 -1.863 5.730 1.00 0.00 S ATOM 0 H CYS A 47 5.152 -0.996 1.870 1.00 0.00 H new ATOM 0 HA CYS A 47 4.425 -1.251 4.676 1.00 0.00 H new ATOM 0 HB2 CYS A 47 6.409 -2.381 3.424 1.00 0.00 H new ATOM 0 HB3 CYS A 47 7.206 -0.828 3.579 1.00 0.00 H new ATOM 458 N MET A 48 4.199 1.190 5.155 1.00 0.00 N ATOM 459 CA MET A 48 4.098 2.575 5.637 1.00 0.00 C ATOM 460 C MET A 48 5.005 2.789 6.865 1.00 0.00 C ATOM 461 O MET A 48 4.551 2.899 8.005 1.00 0.00 O ATOM 462 CB MET A 48 2.622 2.922 5.902 1.00 0.00 C ATOM 463 CG MET A 48 1.735 2.702 4.663 1.00 0.00 C ATOM 464 SD MET A 48 2.290 3.480 3.116 1.00 0.00 S ATOM 465 CE MET A 48 2.020 5.221 3.532 1.00 0.00 C ATOM 0 H MET A 48 3.436 0.601 5.487 1.00 0.00 H new ATOM 0 HA MET A 48 4.458 3.264 4.873 1.00 0.00 H new ATOM 0 HB2 MET A 48 2.250 2.311 6.725 1.00 0.00 H new ATOM 0 HB3 MET A 48 2.547 3.962 6.219 1.00 0.00 H new ATOM 0 HG2 MET A 48 1.648 1.629 4.493 1.00 0.00 H new ATOM 0 HG3 MET A 48 0.735 3.071 4.890 1.00 0.00 H new ATOM 0 HE1 MET A 48 2.546 5.852 2.816 1.00 0.00 H new ATOM 0 HE2 MET A 48 0.953 5.443 3.496 1.00 0.00 H new ATOM 0 HE3 MET A 48 2.398 5.418 4.535 1.00 0.00 H new ATOM 475 N GLY A 49 6.319 2.808 6.629 1.00 0.00 N ATOM 476 CA GLY A 49 7.365 2.982 7.644 1.00 0.00 C ATOM 477 C GLY A 49 7.670 1.695 8.415 1.00 0.00 C ATOM 478 O GLY A 49 8.652 1.013 8.117 1.00 0.00 O ATOM 0 H GLY A 49 6.700 2.698 5.689 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.277 3.335 7.162 1.00 0.00 H new ATOM 0 HA3 GLY A 49 7.056 3.756 8.347 1.00 0.00 H new ATOM 482 N ASN A 50 6.828 1.361 9.397 1.00 0.00 N ATOM 483 CA ASN A 50 7.027 0.231 10.319 1.00 0.00 C ATOM 484 C ASN A 50 5.892 -0.812 10.292 1.00 0.00 C ATOM 485 O ASN A 50 6.054 -1.901 10.842 1.00 0.00 O ATOM 486 CB ASN A 50 7.251 0.778 11.740 1.00 0.00 C ATOM 487 CG ASN A 50 8.564 1.531 11.885 1.00 0.00 C ATOM 488 OD1 ASN A 50 8.684 2.700 11.544 1.00 0.00 O ATOM 489 ND2 ASN A 50 9.594 0.891 12.392 1.00 0.00 N ATOM 0 H ASN A 50 5.968 1.878 9.580 1.00 0.00 H new ATOM 0 HA ASN A 50 7.909 -0.312 9.979 1.00 0.00 H new ATOM 0 HB2 ASN A 50 6.427 1.441 12.002 1.00 0.00 H new ATOM 0 HB3 ASN A 50 7.232 -0.049 12.449 1.00 0.00 H new ATOM 0 HD21 ASN A 50 10.489 1.369 12.500 1.00 0.00 H new ATOM 0 HD22 ASN A 50 9.499 -0.084 12.678 1.00 0.00 H new ATOM 496 N CYS A 51 4.773 -0.511 9.629 1.00 0.00 N ATOM 497 CA CYS A 51 3.594 -1.369 9.517 1.00 0.00 C ATOM 498 C CYS A 51 3.114 -1.433 8.055 1.00 0.00 C ATOM 499 O CYS A 51 3.076 -0.416 7.357 1.00 0.00 O ATOM 500 CB CYS A 51 2.505 -0.863 10.484 1.00 0.00 C ATOM 501 SG CYS A 51 1.929 0.851 10.266 1.00 0.00 S ATOM 0 H CYS A 51 4.660 0.374 9.135 1.00 0.00 H new ATOM 0 HA CYS A 51 3.842 -2.391 9.804 1.00 0.00 H new ATOM 0 HB2 CYS A 51 1.642 -1.523 10.396 1.00 0.00 H new ATOM 0 HB3 CYS A 51 2.882 -0.966 11.501 1.00 0.00 H new ATOM 506 N CYS A 52 2.759 -2.627 7.566 1.00 0.00 N ATOM 507 CA CYS A 52 2.140 -2.759 6.245 1.00 0.00 C ATOM 508 C CYS A 52 0.687 -2.244 6.265 1.00 0.00 C ATOM 509 O CYS A 52 -0.039 -2.443 7.244 1.00 0.00 O ATOM 510 CB CYS A 52 2.196 -4.213 5.759 1.00 0.00 C ATOM 511 SG CYS A 52 1.817 -4.344 3.991 1.00 0.00 S ATOM 0 H CYS A 52 2.889 -3.509 8.062 1.00 0.00 H new ATOM 0 HA CYS A 52 2.706 -2.145 5.544 1.00 0.00 H new ATOM 0 HB2 CYS A 52 3.188 -4.623 5.950 1.00 0.00 H new ATOM 0 HB3 CYS A 52 1.488 -4.815 6.329 1.00 0.00 H new ATOM 516 N LYS A 53 0.252 -1.624 5.164 1.00 0.00 N ATOM 517 CA LYS A 53 -1.109 -1.123 4.936 1.00 0.00 C ATOM 518 C LYS A 53 -1.609 -1.556 3.556 1.00 0.00 C ATOM 519 O LYS A 53 -0.893 -1.432 2.561 1.00 0.00 O ATOM 520 CB LYS A 53 -1.099 0.406 5.108 1.00 0.00 C ATOM 521 CG LYS A 53 -2.504 1.022 5.063 1.00 0.00 C ATOM 522 CD LYS A 53 -2.457 2.522 5.390 1.00 0.00 C ATOM 523 CE LYS A 53 -3.822 3.201 5.206 1.00 0.00 C ATOM 524 NZ LYS A 53 -4.816 2.775 6.229 1.00 0.00 N ATOM 0 H LYS A 53 0.867 -1.449 4.369 1.00 0.00 H new ATOM 0 HA LYS A 53 -1.803 -1.546 5.662 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -0.628 0.656 6.059 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -0.488 0.851 4.323 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -2.938 0.875 4.074 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -3.152 0.511 5.775 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -2.122 2.657 6.418 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -1.722 3.009 4.749 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -3.695 4.282 5.256 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -4.207 2.971 4.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -5.719 3.262 6.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -4.960 1.747 6.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -4.464 3.018 7.177 1.00 0.00 H new ATOM 538 N VAL A 54 -2.833 -2.083 3.500 1.00 0.00 N ATOM 539 CA VAL A 54 -3.533 -2.387 2.243 1.00 0.00 C ATOM 540 C VAL A 54 -4.086 -1.102 1.606 1.00 0.00 C ATOM 541 O VAL A 54 -4.569 -0.204 2.298 1.00 0.00 O ATOM 542 CB VAL A 54 -4.623 -3.455 2.470 1.00 0.00 C ATOM 543 CG1 VAL A 54 -5.839 -2.958 3.253 1.00 0.00 C ATOM 544 CG2 VAL A 54 -5.119 -4.065 1.156 1.00 0.00 C ATOM 0 H VAL A 54 -3.375 -2.315 4.332 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.821 -2.810 1.534 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.119 -4.211 3.072 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -6.555 -3.771 3.367 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -5.522 -2.613 4.237 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -6.308 -2.135 2.714 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.885 -4.811 1.367 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.540 -3.281 0.527 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -4.285 -4.538 0.637 1.00 0.00 H new ATOM 554 N TYR A 55 -4.028 -1.028 0.279 1.00 0.00 N ATOM 555 CA TYR A 55 -4.506 0.072 -0.556 1.00 0.00 C ATOM 556 C TYR A 55 -5.399 -0.482 -1.674 1.00 0.00 C ATOM 557 O TYR A 55 -4.929 -1.097 -2.636 1.00 0.00 O ATOM 558 CB TYR A 55 -3.319 0.893 -1.079 1.00 0.00 C ATOM 559 CG TYR A 55 -2.797 1.914 -0.082 1.00 0.00 C ATOM 560 CD1 TYR A 55 -3.383 3.194 -0.036 1.00 0.00 C ATOM 561 CD2 TYR A 55 -1.749 1.596 0.805 1.00 0.00 C ATOM 562 CE1 TYR A 55 -2.912 4.163 0.870 1.00 0.00 C ATOM 563 CE2 TYR A 55 -1.269 2.564 1.709 1.00 0.00 C ATOM 564 CZ TYR A 55 -1.847 3.851 1.743 1.00 0.00 C ATOM 565 OH TYR A 55 -1.393 4.779 2.628 1.00 0.00 O ATOM 0 H TYR A 55 -3.621 -1.780 -0.277 1.00 0.00 H new ATOM 0 HA TYR A 55 -5.118 0.756 0.032 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -2.510 0.214 -1.348 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -3.619 1.409 -1.991 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -4.200 3.434 -0.701 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -1.313 0.608 0.792 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -3.364 5.143 0.897 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -0.457 2.321 2.378 1.00 0.00 H new ATOM 0 HH TYR A 55 -2.129 5.373 2.885 1.00 0.00 H new ATOM 575 N GLU A 56 -6.711 -0.318 -1.504 1.00 0.00 N ATOM 576 CA GLU A 56 -7.744 -0.731 -2.461 1.00 0.00 C ATOM 577 C GLU A 56 -7.982 0.375 -3.507 1.00 0.00 C ATOM 578 O GLU A 56 -8.423 1.479 -3.173 1.00 0.00 O ATOM 579 CB GLU A 56 -9.050 -1.081 -1.728 1.00 0.00 C ATOM 580 CG GLU A 56 -8.894 -2.288 -0.791 1.00 0.00 C ATOM 581 CD GLU A 56 -10.241 -2.647 -0.138 1.00 0.00 C ATOM 582 OE1 GLU A 56 -10.625 -2.002 0.870 1.00 0.00 O ATOM 583 OE2 GLU A 56 -10.932 -3.577 -0.619 1.00 0.00 O ATOM 0 H GLU A 56 -7.100 0.121 -0.669 1.00 0.00 H new ATOM 0 HA GLU A 56 -7.397 -1.624 -2.981 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -9.381 -0.218 -1.151 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -9.829 -1.292 -2.461 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -8.516 -3.143 -1.351 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -8.158 -2.063 -0.019 1.00 0.00 H new ATOM 590 N GLY A 57 -7.664 0.101 -4.774 1.00 0.00 N ATOM 591 CA GLY A 57 -7.770 1.055 -5.883 1.00 0.00 C ATOM 592 C GLY A 57 -6.839 0.736 -7.055 1.00 0.00 C ATOM 593 O GLY A 57 -6.112 -0.257 -7.050 1.00 0.00 O ATOM 0 H GLY A 57 -7.317 -0.813 -5.066 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -8.799 1.071 -6.241 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -7.546 2.056 -5.513 1.00 0.00 H new ATOM 597 N CYS A 58 -6.833 1.606 -8.065 1.00 0.00 N ATOM 598 CA CYS A 58 -5.959 1.516 -9.241 1.00 0.00 C ATOM 599 C CYS A 58 -4.532 2.023 -8.938 1.00 0.00 C ATOM 600 O CYS A 58 -4.063 3.003 -9.518 1.00 0.00 O ATOM 601 CB CYS A 58 -6.621 2.273 -10.399 1.00 0.00 C ATOM 602 SG CYS A 58 -5.936 1.882 -12.034 1.00 0.00 S ATOM 0 H CYS A 58 -7.452 2.416 -8.091 1.00 0.00 H new ATOM 0 HA CYS A 58 -5.837 0.471 -9.528 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -7.688 2.049 -10.402 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -6.521 3.344 -10.222 1.00 0.00 H new ATOM 607 N TYR A 59 -3.852 1.396 -7.976 1.00 0.00 N ATOM 608 CA TYR A 59 -2.504 1.786 -7.535 1.00 0.00 C ATOM 609 C TYR A 59 -1.381 1.164 -8.383 1.00 0.00 C ATOM 610 O TYR A 59 -0.361 1.810 -8.614 1.00 0.00 O ATOM 611 CB TYR A 59 -2.344 1.407 -6.060 1.00 0.00 C ATOM 612 CG TYR A 59 -3.068 2.354 -5.129 1.00 0.00 C ATOM 613 CD1 TYR A 59 -2.403 3.509 -4.682 1.00 0.00 C ATOM 614 CD2 TYR A 59 -4.398 2.111 -4.742 1.00 0.00 C ATOM 615 CE1 TYR A 59 -3.049 4.415 -3.825 1.00 0.00 C ATOM 616 CE2 TYR A 59 -5.062 3.029 -3.905 1.00 0.00 C ATOM 617 CZ TYR A 59 -4.384 4.176 -3.436 1.00 0.00 C ATOM 618 OH TYR A 59 -5.033 5.072 -2.645 1.00 0.00 O ATOM 0 H TYR A 59 -4.224 0.591 -7.472 1.00 0.00 H new ATOM 0 HA TYR A 59 -2.408 2.864 -7.667 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -2.720 0.396 -5.907 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -1.284 1.395 -5.806 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -1.389 3.701 -5.000 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -4.909 1.223 -5.085 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -2.527 5.290 -3.466 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -6.090 2.856 -3.622 1.00 0.00 H new ATOM 0 HH TYR A 59 -4.684 5.972 -2.816 1.00 0.00 H new ATOM 628 N THR A 60 -1.575 -0.088 -8.820 1.00 0.00 N ATOM 629 CA THR A 60 -0.732 -0.964 -9.678 1.00 0.00 C ATOM 630 C THR A 60 0.729 -1.207 -9.256 1.00 0.00 C ATOM 631 O THR A 60 1.351 -2.157 -9.737 1.00 0.00 O ATOM 632 CB THR A 60 -0.823 -0.593 -11.176 1.00 0.00 C ATOM 633 OG1 THR A 60 -0.398 0.728 -11.451 1.00 0.00 O ATOM 634 CG2 THR A 60 -2.255 -0.714 -11.700 1.00 0.00 C ATOM 0 H THR A 60 -2.428 -0.580 -8.553 1.00 0.00 H new ATOM 0 HA THR A 60 -1.199 -1.934 -9.507 1.00 0.00 H new ATOM 0 HB THR A 60 -0.159 -1.300 -11.673 1.00 0.00 H new ATOM 0 HG1 THR A 60 -0.477 0.904 -12.412 1.00 0.00 H new ATOM 0 HG21 THR A 60 -2.280 -0.445 -12.756 1.00 0.00 H new ATOM 0 HG22 THR A 60 -2.601 -1.740 -11.578 1.00 0.00 H new ATOM 0 HG23 THR A 60 -2.905 -0.043 -11.139 1.00 0.00 H new ATOM 642 N GLY A 61 1.266 -0.430 -8.318 1.00 0.00 N ATOM 643 CA GLY A 61 2.624 -0.519 -7.772 1.00 0.00 C ATOM 644 C GLY A 61 2.731 -1.391 -6.514 1.00 0.00 C ATOM 645 O GLY A 61 1.863 -2.226 -6.236 1.00 0.00 O ATOM 0 H GLY A 61 0.733 0.327 -7.890 1.00 0.00 H new ATOM 0 HA2 GLY A 61 3.288 -0.920 -8.538 1.00 0.00 H new ATOM 0 HA3 GLY A 61 2.978 0.485 -7.538 1.00 0.00 H new ATOM 649 N GLY A 62 3.814 -1.183 -5.758 1.00 0.00 N ATOM 650 CA GLY A 62 4.047 -1.783 -4.440 1.00 0.00 C ATOM 651 C GLY A 62 4.107 -3.309 -4.467 1.00 0.00 C ATOM 652 O GLY A 62 4.745 -3.907 -5.341 1.00 0.00 O ATOM 0 H GLY A 62 4.576 -0.574 -6.056 1.00 0.00 H new ATOM 0 HA2 GLY A 62 4.983 -1.398 -4.034 1.00 0.00 H new ATOM 0 HA3 GLY A 62 3.253 -1.470 -3.762 1.00 0.00 H new ATOM 656 N TYR A 63 3.453 -3.934 -3.490 1.00 0.00 N ATOM 657 CA TYR A 63 3.392 -5.381 -3.306 1.00 0.00 C ATOM 658 C TYR A 63 1.994 -5.911 -3.653 1.00 0.00 C ATOM 659 O TYR A 63 0.976 -5.319 -3.288 1.00 0.00 O ATOM 660 CB TYR A 63 3.802 -5.702 -1.864 1.00 0.00 C ATOM 661 CG TYR A 63 5.182 -5.182 -1.501 1.00 0.00 C ATOM 662 CD1 TYR A 63 6.321 -5.709 -2.141 1.00 0.00 C ATOM 663 CD2 TYR A 63 5.321 -4.128 -0.574 1.00 0.00 C ATOM 664 CE1 TYR A 63 7.596 -5.184 -1.858 1.00 0.00 C ATOM 665 CE2 TYR A 63 6.595 -3.600 -0.288 1.00 0.00 C ATOM 666 CZ TYR A 63 7.735 -4.124 -0.936 1.00 0.00 C ATOM 667 OH TYR A 63 8.967 -3.600 -0.701 1.00 0.00 O ATOM 0 H TYR A 63 2.931 -3.425 -2.777 1.00 0.00 H new ATOM 0 HA TYR A 63 4.084 -5.883 -3.983 1.00 0.00 H new ATOM 0 HB2 TYR A 63 3.069 -5.273 -1.181 1.00 0.00 H new ATOM 0 HB3 TYR A 63 3.779 -6.782 -1.719 1.00 0.00 H new ATOM 0 HD1 TYR A 63 6.216 -6.517 -2.850 1.00 0.00 H new ATOM 0 HD2 TYR A 63 4.448 -3.725 -0.082 1.00 0.00 H new ATOM 0 HE1 TYR A 63 8.468 -5.592 -2.346 1.00 0.00 H new ATOM 0 HE2 TYR A 63 6.700 -2.796 0.425 1.00 0.00 H new ATOM 0 HH TYR A 63 8.895 -2.878 -0.042 1.00 0.00 H new ATOM 677 N SER A 64 1.935 -7.033 -4.369 1.00 0.00 N ATOM 678 CA SER A 64 0.684 -7.685 -4.783 1.00 0.00 C ATOM 679 C SER A 64 0.005 -8.432 -3.623 1.00 0.00 C ATOM 680 O SER A 64 -1.213 -8.633 -3.628 1.00 0.00 O ATOM 681 CB SER A 64 0.989 -8.655 -5.933 1.00 0.00 C ATOM 682 OG SER A 64 -0.200 -9.042 -6.602 1.00 0.00 O ATOM 0 H SER A 64 2.769 -7.527 -4.686 1.00 0.00 H new ATOM 0 HA SER A 64 -0.012 -6.913 -5.111 1.00 0.00 H new ATOM 0 HB2 SER A 64 1.671 -8.183 -6.640 1.00 0.00 H new ATOM 0 HB3 SER A 64 1.495 -9.538 -5.544 1.00 0.00 H new ATOM 0 HG SER A 64 0.021 -9.659 -7.331 1.00 0.00 H new ATOM 688 N ARG A 65 0.782 -8.806 -2.593 1.00 0.00 N ATOM 689 CA ARG A 65 0.356 -9.590 -1.425 1.00 0.00 C ATOM 690 C ARG A 65 0.935 -9.059 -0.112 1.00 0.00 C ATOM 691 O ARG A 65 2.029 -8.495 -0.083 1.00 0.00 O ATOM 692 CB ARG A 65 0.767 -11.059 -1.677 1.00 0.00 C ATOM 693 CG ARG A 65 -0.400 -12.044 -1.529 1.00 0.00 C ATOM 694 CD ARG A 65 -0.490 -12.669 -0.130 1.00 0.00 C ATOM 695 NE ARG A 65 -1.479 -13.764 -0.090 1.00 0.00 N ATOM 696 CZ ARG A 65 -1.639 -14.670 0.861 1.00 0.00 C ATOM 697 NH1 ARG A 65 -0.931 -14.666 1.956 1.00 0.00 N ATOM 698 NH2 ARG A 65 -2.524 -15.615 0.728 1.00 0.00 N ATOM 0 H ARG A 65 1.770 -8.558 -2.551 1.00 0.00 H new ATOM 0 HA ARG A 65 -0.725 -9.509 -1.310 1.00 0.00 H new ATOM 0 HB2 ARG A 65 1.184 -11.147 -2.680 1.00 0.00 H new ATOM 0 HB3 ARG A 65 1.557 -11.334 -0.979 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -1.334 -11.527 -1.750 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -0.293 -12.838 -2.268 1.00 0.00 H new ATOM 0 HD2 ARG A 65 0.488 -13.050 0.163 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -0.764 -11.903 0.595 1.00 0.00 H new ATOM 0 HE ARG A 65 -2.112 -13.830 -0.887 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -0.223 -13.946 2.103 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -1.085 -15.382 2.665 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -3.099 -15.660 -0.113 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -2.642 -16.310 1.465 1.00 0.00 H new ATOM 712 N MET A 66 0.244 -9.334 0.994 1.00 0.00 N ATOM 713 CA MET A 66 0.714 -9.037 2.353 1.00 0.00 C ATOM 714 C MET A 66 2.047 -9.731 2.680 1.00 0.00 C ATOM 715 O MET A 66 2.879 -9.152 3.369 1.00 0.00 O ATOM 716 CB MET A 66 -0.385 -9.426 3.354 1.00 0.00 C ATOM 717 CG MET A 66 -0.043 -9.019 4.796 1.00 0.00 C ATOM 718 SD MET A 66 -1.385 -9.287 5.988 1.00 0.00 S ATOM 719 CE MET A 66 -2.381 -7.800 5.693 1.00 0.00 C ATOM 0 H MET A 66 -0.674 -9.777 0.974 1.00 0.00 H new ATOM 0 HA MET A 66 0.913 -7.968 2.426 1.00 0.00 H new ATOM 0 HB2 MET A 66 -1.322 -8.954 3.060 1.00 0.00 H new ATOM 0 HB3 MET A 66 -0.544 -10.504 3.313 1.00 0.00 H new ATOM 0 HG2 MET A 66 0.833 -9.580 5.121 1.00 0.00 H new ATOM 0 HG3 MET A 66 0.232 -7.964 4.808 1.00 0.00 H new ATOM 0 HE1 MET A 66 -3.251 -7.808 6.350 1.00 0.00 H new ATOM 0 HE2 MET A 66 -1.781 -6.913 5.897 1.00 0.00 H new ATOM 0 HE3 MET A 66 -2.711 -7.783 4.654 1.00 0.00 H new ATOM 729 N GLY A 67 2.296 -10.929 2.139 1.00 0.00 N ATOM 730 CA GLY A 67 3.565 -11.659 2.300 1.00 0.00 C ATOM 731 C GLY A 67 4.760 -10.973 1.624 1.00 0.00 C ATOM 732 O GLY A 67 5.843 -10.890 2.204 1.00 0.00 O ATOM 0 H GLY A 67 1.614 -11.428 1.568 1.00 0.00 H new ATOM 0 HA2 GLY A 67 3.776 -11.773 3.363 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.452 -12.662 1.888 1.00 0.00 H new ATOM 736 N GLU A 68 4.560 -10.431 0.418 1.00 0.00 N ATOM 737 CA GLU A 68 5.548 -9.614 -0.310 1.00 0.00 C ATOM 738 C GLU A 68 5.866 -8.293 0.421 1.00 0.00 C ATOM 739 O GLU A 68 7.001 -7.817 0.383 1.00 0.00 O ATOM 740 CB GLU A 68 5.024 -9.308 -1.720 1.00 0.00 C ATOM 741 CG GLU A 68 5.021 -10.513 -2.667 1.00 0.00 C ATOM 742 CD GLU A 68 4.436 -10.177 -4.057 1.00 0.00 C ATOM 743 OE1 GLU A 68 3.931 -9.049 -4.275 1.00 0.00 O ATOM 744 OE2 GLU A 68 4.473 -11.063 -4.947 1.00 0.00 O ATOM 0 H GLU A 68 3.686 -10.549 -0.095 1.00 0.00 H new ATOM 0 HA GLU A 68 6.472 -10.189 -0.366 1.00 0.00 H new ATOM 0 HB2 GLU A 68 4.008 -8.920 -1.641 1.00 0.00 H new ATOM 0 HB3 GLU A 68 5.634 -8.518 -2.158 1.00 0.00 H new ATOM 0 HG2 GLU A 68 6.041 -10.880 -2.785 1.00 0.00 H new ATOM 0 HG3 GLU A 68 4.442 -11.321 -2.219 1.00 0.00 H new ATOM 751 N CYS A 69 4.889 -7.729 1.137 1.00 0.00 N ATOM 752 CA CYS A 69 5.081 -6.599 2.049 1.00 0.00 C ATOM 753 C CYS A 69 5.857 -7.012 3.318 1.00 0.00 C ATOM 754 O CYS A 69 6.861 -6.394 3.677 1.00 0.00 O ATOM 755 CB CYS A 69 3.691 -6.040 2.390 1.00 0.00 C ATOM 756 SG CYS A 69 3.640 -4.371 3.080 1.00 0.00 S ATOM 0 H CYS A 69 3.922 -8.052 1.098 1.00 0.00 H new ATOM 0 HA CYS A 69 5.688 -5.831 1.570 1.00 0.00 H new ATOM 0 HB2 CYS A 69 3.086 -6.053 1.483 1.00 0.00 H new ATOM 0 HB3 CYS A 69 3.216 -6.717 3.100 1.00 0.00 H new ATOM 761 N ALA A 70 5.418 -8.079 3.994 1.00 0.00 N ATOM 762 CA ALA A 70 5.940 -8.558 5.275 1.00 0.00 C ATOM 763 C ALA A 70 7.419 -8.990 5.232 1.00 0.00 C ATOM 764 O ALA A 70 8.144 -8.751 6.199 1.00 0.00 O ATOM 765 CB ALA A 70 5.045 -9.704 5.763 1.00 0.00 C ATOM 0 H ALA A 70 4.654 -8.658 3.645 1.00 0.00 H new ATOM 0 HA ALA A 70 5.917 -7.722 5.974 1.00 0.00 H new ATOM 0 HB1 ALA A 70 5.418 -10.075 6.718 1.00 0.00 H new ATOM 0 HB2 ALA A 70 4.025 -9.341 5.888 1.00 0.00 H new ATOM 0 HB3 ALA A 70 5.056 -10.511 5.031 1.00 0.00 H new ATOM 771 N ARG A 71 7.896 -9.567 4.114 1.00 0.00 N ATOM 772 CA ARG A 71 9.334 -9.854 3.900 1.00 0.00 C ATOM 773 C ARG A 71 10.222 -8.598 3.874 1.00 0.00 C ATOM 774 O ARG A 71 11.429 -8.708 4.092 1.00 0.00 O ATOM 775 CB ARG A 71 9.557 -10.704 2.631 1.00 0.00 C ATOM 776 CG ARG A 71 9.142 -9.997 1.332 1.00 0.00 C ATOM 777 CD ARG A 71 9.520 -10.764 0.059 1.00 0.00 C ATOM 778 NE ARG A 71 8.710 -11.985 -0.132 1.00 0.00 N ATOM 779 CZ ARG A 71 8.655 -12.728 -1.224 1.00 0.00 C ATOM 780 NH1 ARG A 71 9.349 -12.446 -2.291 1.00 0.00 N ATOM 781 NH2 ARG A 71 7.893 -13.783 -1.270 1.00 0.00 N ATOM 0 H ARG A 71 7.302 -9.848 3.334 1.00 0.00 H new ATOM 0 HA ARG A 71 9.646 -10.430 4.771 1.00 0.00 H new ATOM 0 HB2 ARG A 71 10.611 -10.974 2.566 1.00 0.00 H new ATOM 0 HB3 ARG A 71 8.995 -11.633 2.724 1.00 0.00 H new ATOM 0 HG2 ARG A 71 8.063 -9.841 1.344 1.00 0.00 H new ATOM 0 HG3 ARG A 71 9.606 -9.011 1.302 1.00 0.00 H new ATOM 0 HD2 ARG A 71 9.395 -10.111 -0.805 1.00 0.00 H new ATOM 0 HD3 ARG A 71 10.575 -11.036 0.103 1.00 0.00 H new ATOM 0 HE ARG A 71 8.137 -12.284 0.657 1.00 0.00 H new ATOM 0 HH11 ARG A 71 9.960 -11.629 -2.301 1.00 0.00 H new ATOM 0 HH12 ARG A 71 9.281 -13.042 -3.116 1.00 0.00 H new ATOM 0 HH21 ARG A 71 7.332 -14.042 -0.459 1.00 0.00 H new ATOM 0 HH22 ARG A 71 7.857 -14.350 -2.117 1.00 0.00 H new ATOM 795 N ASN A 72 9.642 -7.424 3.605 1.00 0.00 N ATOM 796 CA ASN A 72 10.351 -6.153 3.443 1.00 0.00 C ATOM 797 C ASN A 72 10.186 -5.200 4.645 1.00 0.00 C ATOM 798 O ASN A 72 11.130 -4.491 5.001 1.00 0.00 O ATOM 799 CB ASN A 72 9.882 -5.503 2.130 1.00 0.00 C ATOM 800 CG ASN A 72 10.997 -4.672 1.524 1.00 0.00 C ATOM 801 OD1 ASN A 72 11.081 -3.464 1.693 1.00 0.00 O ATOM 802 ND2 ASN A 72 11.911 -5.315 0.830 1.00 0.00 N ATOM 0 H ASN A 72 8.633 -7.330 3.490 1.00 0.00 H new ATOM 0 HA ASN A 72 11.421 -6.359 3.400 1.00 0.00 H new ATOM 0 HB2 ASN A 72 9.571 -6.274 1.426 1.00 0.00 H new ATOM 0 HB3 ASN A 72 9.012 -4.874 2.319 1.00 0.00 H new ATOM 0 HD21 ASN A 72 12.698 -4.806 0.428 1.00 0.00 H new ATOM 0 HD22 ASN A 72 11.833 -6.323 0.694 1.00 0.00 H new ATOM 809 N CYS A 73 9.016 -5.202 5.296 1.00 0.00 N ATOM 810 CA CYS A 73 8.776 -4.494 6.559 1.00 0.00 C ATOM 811 C CYS A 73 9.683 -4.998 7.713 1.00 0.00 C ATOM 812 O CYS A 73 10.161 -6.138 7.672 1.00 0.00 O ATOM 813 CB CYS A 73 7.293 -4.652 6.944 1.00 0.00 C ATOM 814 SG CYS A 73 6.073 -3.721 5.975 1.00 0.00 S ATOM 0 H CYS A 73 8.196 -5.704 4.954 1.00 0.00 H new ATOM 0 HA CYS A 73 9.024 -3.444 6.405 1.00 0.00 H new ATOM 0 HB2 CYS A 73 7.039 -5.710 6.878 1.00 0.00 H new ATOM 0 HB3 CYS A 73 7.184 -4.363 7.989 1.00 0.00 H new ATOM 819 N PRO A 74 9.887 -4.193 8.780 1.00 0.00 N ATOM 820 CA PRO A 74 10.716 -4.582 9.928 1.00 0.00 C ATOM 821 C PRO A 74 10.073 -5.640 10.854 1.00 0.00 C ATOM 822 O PRO A 74 10.784 -6.251 11.657 1.00 0.00 O ATOM 823 CB PRO A 74 11.000 -3.274 10.676 1.00 0.00 C ATOM 824 CG PRO A 74 9.787 -2.405 10.355 1.00 0.00 C ATOM 825 CD PRO A 74 9.444 -2.808 8.923 1.00 0.00 C ATOM 0 HA PRO A 74 11.623 -5.077 9.580 1.00 0.00 H new ATOM 0 HB2 PRO A 74 11.102 -3.440 11.749 1.00 0.00 H new ATOM 0 HB3 PRO A 74 11.926 -2.811 10.336 1.00 0.00 H new ATOM 0 HG2 PRO A 74 8.960 -2.599 11.038 1.00 0.00 H new ATOM 0 HG3 PRO A 74 10.020 -1.343 10.430 1.00 0.00 H new ATOM 0 HD2 PRO A 74 8.373 -2.719 8.738 1.00 0.00 H new ATOM 0 HD3 PRO A 74 9.946 -2.161 8.204 1.00 0.00 H new ATOM 833 N GLY A 75 8.759 -5.885 10.731 1.00 0.00 N ATOM 834 CA GLY A 75 7.987 -6.901 11.470 1.00 0.00 C ATOM 835 C GLY A 75 7.054 -6.298 12.519 1.00 0.00 C ATOM 836 O GLY A 75 7.506 -6.084 13.666 1.00 0.00 O ATOM 837 OXT GLY A 75 5.872 -6.057 12.187 1.00 0.00 O ATOM 0 H GLY A 75 8.176 -5.355 10.083 1.00 0.00 H new ATOM 0 HA2 GLY A 75 7.399 -7.487 10.764 1.00 0.00 H new ATOM 0 HA3 GLY A 75 8.677 -7.589 11.958 1.00 0.00 H new TER 841 GLY A 75