USER MOD reduce.3.24.130724 H: found=0, std=0, add=588, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 589 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 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.166) USER MOD Single : A 14 LYS NZ :NH3+ 153:sc= -0.403 (180deg=-1.2) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 TYR OH : rot 98:sc= 1.2 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot -105:sc= -2.23! USER MOD Single : A 28 ASN : amide:sc= -2.06! C(o=-2.1!,f=-1.6!) USER MOD Single : A 32 SER OG : rot 180:sc= -0.385 USER MOD Single : A 35 LYS NZ :NH3+ 170:sc= 1.15 (180deg=1.03) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.338 K(o=-0.34,f=-3.2!) USER MOD Single : A 43 SER OG : rot -68:sc= -0.142 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 113:sc= -5.43! USER MOD Single : A 61 HIS : no HD1:sc= -6.14! C(o=-6.1!,f=-5.7!) USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl 159:sc= -1.05 (180deg=-1.39!) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 CYS SG : rot 102:sc= -0.801! USER MOD Single : B 109 ASN : amide:sc= -5.22! C(o=-5.2!,f=-14!) USER MOD ----------------------------------------------------------------- ATOM 39 N ALA A 8 1.162 3.263 -18.716 1.00 0.00 N ATOM 40 CA ALA A 8 1.127 1.804 -18.412 1.00 0.00 C ATOM 41 C ALA A 8 -0.306 1.378 -18.083 1.00 0.00 C ATOM 42 O ALA A 8 -0.702 0.255 -18.324 1.00 0.00 O ATOM 43 CB ALA A 8 2.034 1.627 -17.196 1.00 0.00 C ATOM 0 HA ALA A 8 1.459 1.195 -19.253 1.00 0.00 H new ATOM 0 HB1 ALA A 8 2.060 0.575 -16.911 1.00 0.00 H new ATOM 0 HB2 ALA A 8 3.042 1.961 -17.442 1.00 0.00 H new ATOM 0 HB3 ALA A 8 1.649 2.219 -16.366 1.00 0.00 H new ATOM 49 N VAL A 9 -1.088 2.275 -17.550 1.00 0.00 N ATOM 50 CA VAL A 9 -2.500 1.929 -17.221 1.00 0.00 C ATOM 51 C VAL A 9 -3.397 2.279 -18.414 1.00 0.00 C ATOM 52 O VAL A 9 -3.054 3.113 -19.229 1.00 0.00 O ATOM 53 CB VAL A 9 -2.851 2.780 -15.998 1.00 0.00 C ATOM 54 CG1 VAL A 9 -4.371 2.901 -15.867 1.00 0.00 C ATOM 55 CG2 VAL A 9 -2.288 2.111 -14.741 1.00 0.00 C ATOM 0 H VAL A 9 -0.812 3.231 -17.328 1.00 0.00 H new ATOM 0 HA VAL A 9 -2.639 0.868 -17.012 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.420 3.774 -16.115 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -4.614 3.508 -14.995 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -4.777 3.373 -16.762 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.806 1.908 -15.751 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -2.535 2.713 -13.867 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -2.723 1.117 -14.632 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.205 2.026 -14.828 1.00 0.00 H new ATOM 65 N LYS A 10 -4.533 1.649 -18.538 1.00 0.00 N ATOM 66 CA LYS A 10 -5.424 1.954 -19.695 1.00 0.00 C ATOM 67 C LYS A 10 -6.667 2.722 -19.231 1.00 0.00 C ATOM 68 O LYS A 10 -6.944 2.801 -18.052 1.00 0.00 O ATOM 69 CB LYS A 10 -5.813 0.583 -20.255 1.00 0.00 C ATOM 70 CG LYS A 10 -4.639 -0.002 -21.042 1.00 0.00 C ATOM 71 CD LYS A 10 -4.454 0.780 -22.344 1.00 0.00 C ATOM 72 CE LYS A 10 -4.959 -0.062 -23.519 1.00 0.00 C ATOM 73 NZ LYS A 10 -5.847 0.850 -24.292 1.00 0.00 N ATOM 0 H LYS A 10 -4.882 0.940 -17.893 1.00 0.00 H new ATOM 0 HA LYS A 10 -4.935 2.581 -20.441 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -6.089 -0.088 -19.442 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -6.686 0.677 -20.901 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -3.728 0.045 -20.445 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -4.823 -1.054 -21.261 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -5.000 1.722 -22.296 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -3.402 1.028 -22.486 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -4.132 -0.421 -24.132 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -5.502 -0.940 -23.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -6.069 0.420 -25.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -6.728 1.008 -23.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -5.365 1.759 -24.442 1.00 0.00 H new ATOM 87 N PRO A 11 -7.379 3.259 -20.187 1.00 0.00 N ATOM 88 CA PRO A 11 -8.615 4.025 -19.882 1.00 0.00 C ATOM 89 C PRO A 11 -9.700 3.077 -19.378 1.00 0.00 C ATOM 90 O PRO A 11 -10.521 3.430 -18.554 1.00 0.00 O ATOM 91 CB PRO A 11 -9.001 4.631 -21.227 1.00 0.00 C ATOM 92 CG PRO A 11 -8.376 3.736 -22.246 1.00 0.00 C ATOM 93 CD PRO A 11 -7.110 3.201 -21.629 1.00 0.00 C ATOM 0 HA PRO A 11 -8.480 4.781 -19.108 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -10.084 4.670 -21.346 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -8.633 5.653 -21.320 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -9.051 2.923 -22.513 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -8.159 4.284 -23.163 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -6.903 2.183 -21.958 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -6.245 3.806 -21.900 1.00 0.00 H new ATOM 101 N GLU A 12 -9.693 1.867 -19.858 1.00 0.00 N ATOM 102 CA GLU A 12 -10.706 0.873 -19.404 1.00 0.00 C ATOM 103 C GLU A 12 -10.271 0.311 -18.055 1.00 0.00 C ATOM 104 O GLU A 12 -11.080 -0.003 -17.204 1.00 0.00 O ATOM 105 CB GLU A 12 -10.700 -0.228 -20.465 1.00 0.00 C ATOM 106 CG GLU A 12 -10.700 0.402 -21.857 1.00 0.00 C ATOM 107 CD GLU A 12 -11.944 1.276 -22.025 1.00 0.00 C ATOM 108 OE1 GLU A 12 -12.911 1.039 -21.320 1.00 0.00 O ATOM 109 OE2 GLU A 12 -11.910 2.169 -22.857 1.00 0.00 O ATOM 0 H GLU A 12 -9.027 1.521 -20.548 1.00 0.00 H new ATOM 0 HA GLU A 12 -11.700 1.305 -19.287 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -9.822 -0.861 -20.341 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -11.574 -0.868 -20.344 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -9.800 1.002 -21.996 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -10.685 -0.377 -22.620 1.00 0.00 H new ATOM 116 N ASP A 13 -8.989 0.204 -17.852 1.00 0.00 N ATOM 117 CA ASP A 13 -8.478 -0.312 -16.555 1.00 0.00 C ATOM 118 C ASP A 13 -8.558 0.803 -15.521 1.00 0.00 C ATOM 119 O ASP A 13 -8.827 0.575 -14.359 1.00 0.00 O ATOM 120 CB ASP A 13 -7.024 -0.703 -16.816 1.00 0.00 C ATOM 121 CG ASP A 13 -6.935 -2.210 -17.059 1.00 0.00 C ATOM 122 OD1 ASP A 13 -7.553 -2.677 -18.002 1.00 0.00 O ATOM 123 OD2 ASP A 13 -6.250 -2.874 -16.298 1.00 0.00 O ATOM 0 H ASP A 13 -8.271 0.453 -18.532 1.00 0.00 H new ATOM 0 HA ASP A 13 -9.050 -1.160 -16.180 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -6.641 -0.162 -17.681 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -6.403 -0.424 -15.965 1.00 0.00 H new ATOM 128 N LYS A 14 -8.342 2.016 -15.944 1.00 0.00 N ATOM 129 CA LYS A 14 -8.423 3.155 -14.996 1.00 0.00 C ATOM 130 C LYS A 14 -9.886 3.402 -14.638 1.00 0.00 C ATOM 131 O LYS A 14 -10.202 4.027 -13.645 1.00 0.00 O ATOM 132 CB LYS A 14 -7.843 4.350 -15.748 1.00 0.00 C ATOM 133 CG LYS A 14 -7.990 5.610 -14.895 1.00 0.00 C ATOM 134 CD LYS A 14 -6.999 5.560 -13.730 1.00 0.00 C ATOM 135 CE LYS A 14 -7.060 6.874 -12.950 1.00 0.00 C ATOM 136 NZ LYS A 14 -8.441 6.929 -12.396 1.00 0.00 N ATOM 0 H LYS A 14 -8.113 2.266 -16.906 1.00 0.00 H new ATOM 0 HA LYS A 14 -7.881 2.972 -14.068 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -6.792 4.174 -15.977 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -8.359 4.480 -16.699 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -7.808 6.496 -15.503 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -9.009 5.688 -14.516 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -7.236 4.724 -13.073 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -5.989 5.394 -14.105 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -6.315 6.896 -12.155 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -6.860 7.727 -13.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -8.444 7.499 -11.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -9.078 7.361 -13.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -8.767 5.965 -12.179 1.00 0.00 H new ATOM 150 N ALA A 15 -10.780 2.898 -15.443 1.00 0.00 N ATOM 151 CA ALA A 15 -12.229 3.079 -15.158 1.00 0.00 C ATOM 152 C ALA A 15 -12.618 2.175 -13.995 1.00 0.00 C ATOM 153 O ALA A 15 -13.321 2.575 -13.087 1.00 0.00 O ATOM 154 CB ALA A 15 -12.948 2.651 -16.439 1.00 0.00 C ATOM 0 H ALA A 15 -10.568 2.367 -16.288 1.00 0.00 H new ATOM 0 HA ALA A 15 -12.485 4.103 -14.885 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -14.024 2.757 -16.305 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -12.622 3.280 -17.267 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -12.711 1.610 -16.659 1.00 0.00 H new ATOM 160 N LYS A 16 -12.139 0.961 -14.000 1.00 0.00 N ATOM 161 CA LYS A 16 -12.452 0.040 -12.881 1.00 0.00 C ATOM 162 C LYS A 16 -11.608 0.449 -11.673 1.00 0.00 C ATOM 163 O LYS A 16 -11.970 0.220 -10.536 1.00 0.00 O ATOM 164 CB LYS A 16 -12.092 -1.356 -13.408 1.00 0.00 C ATOM 165 CG LYS A 16 -10.667 -1.731 -13.007 1.00 0.00 C ATOM 166 CD LYS A 16 -10.335 -3.129 -13.530 1.00 0.00 C ATOM 167 CE LYS A 16 -9.855 -3.031 -14.979 1.00 0.00 C ATOM 168 NZ LYS A 16 -9.878 -4.431 -15.487 1.00 0.00 N ATOM 0 H LYS A 16 -11.545 0.571 -14.732 1.00 0.00 H new ATOM 0 HA LYS A 16 -13.493 0.062 -12.559 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -12.792 -2.092 -13.012 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -12.187 -1.377 -14.494 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -9.962 -1.004 -13.411 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -10.565 -1.705 -11.922 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -9.564 -3.587 -12.910 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -11.215 -3.770 -13.470 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -10.507 -2.386 -15.568 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -8.852 -2.607 -15.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -9.561 -4.446 -16.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -9.243 -5.020 -14.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -10.846 -4.806 -15.428 1.00 0.00 H new ATOM 182 N TYR A 17 -10.492 1.084 -11.922 1.00 0.00 N ATOM 183 CA TYR A 17 -9.627 1.547 -10.804 1.00 0.00 C ATOM 184 C TYR A 17 -10.295 2.741 -10.130 1.00 0.00 C ATOM 185 O TYR A 17 -10.245 2.910 -8.927 1.00 0.00 O ATOM 186 CB TYR A 17 -8.319 2.002 -11.455 1.00 0.00 C ATOM 187 CG TYR A 17 -7.590 0.838 -12.089 1.00 0.00 C ATOM 188 CD1 TYR A 17 -8.164 -0.438 -12.108 1.00 0.00 C ATOM 189 CD2 TYR A 17 -6.334 1.046 -12.668 1.00 0.00 C ATOM 190 CE1 TYR A 17 -7.481 -1.505 -12.706 1.00 0.00 C ATOM 191 CE2 TYR A 17 -5.648 -0.019 -13.263 1.00 0.00 C ATOM 192 CZ TYR A 17 -6.221 -1.294 -13.282 1.00 0.00 C ATOM 193 OH TYR A 17 -5.548 -2.345 -13.872 1.00 0.00 O ATOM 0 H TYR A 17 -10.144 1.301 -12.856 1.00 0.00 H new ATOM 0 HA TYR A 17 -9.460 0.768 -10.060 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -8.530 2.758 -12.211 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -7.680 2.470 -10.706 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -9.134 -0.600 -11.662 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -5.892 2.031 -12.656 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -7.925 -2.489 -12.723 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -4.677 0.144 -13.707 1.00 0.00 H new ATOM 0 HH TYR A 17 -5.696 -2.326 -14.841 1.00 0.00 H new ATOM 203 N ASP A 18 -10.916 3.576 -10.917 1.00 0.00 N ATOM 204 CA ASP A 18 -11.594 4.780 -10.358 1.00 0.00 C ATOM 205 C ASP A 18 -12.950 4.399 -9.766 1.00 0.00 C ATOM 206 O ASP A 18 -13.596 5.188 -9.105 1.00 0.00 O ATOM 207 CB ASP A 18 -11.771 5.713 -11.553 1.00 0.00 C ATOM 208 CG ASP A 18 -12.686 6.875 -11.170 1.00 0.00 C ATOM 209 OD1 ASP A 18 -13.889 6.670 -11.134 1.00 0.00 O ATOM 210 OD2 ASP A 18 -12.171 7.951 -10.916 1.00 0.00 O ATOM 0 H ASP A 18 -10.983 3.475 -11.930 1.00 0.00 H new ATOM 0 HA ASP A 18 -11.022 5.245 -9.555 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -10.802 6.092 -11.877 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -12.196 5.165 -12.394 1.00 0.00 H new ATOM 215 N ALA A 19 -13.373 3.186 -9.973 1.00 0.00 N ATOM 216 CA ALA A 19 -14.670 2.745 -9.394 1.00 0.00 C ATOM 217 C ALA A 19 -14.361 2.042 -8.083 1.00 0.00 C ATOM 218 O ALA A 19 -15.092 2.131 -7.116 1.00 0.00 O ATOM 219 CB ALA A 19 -15.268 1.776 -10.413 1.00 0.00 C ATOM 0 H ALA A 19 -12.877 2.481 -10.518 1.00 0.00 H new ATOM 0 HA ALA A 19 -15.367 3.560 -9.197 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -16.228 1.411 -10.048 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -15.412 2.290 -11.363 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -14.591 0.934 -10.555 1.00 0.00 H new ATOM 225 N ILE A 20 -13.240 1.382 -8.044 1.00 0.00 N ATOM 226 CA ILE A 20 -12.809 0.705 -6.807 1.00 0.00 C ATOM 227 C ILE A 20 -12.276 1.780 -5.861 1.00 0.00 C ATOM 228 O ILE A 20 -12.419 1.704 -4.657 1.00 0.00 O ATOM 229 CB ILE A 20 -11.690 -0.225 -7.263 1.00 0.00 C ATOM 230 CG1 ILE A 20 -12.275 -1.383 -8.076 1.00 0.00 C ATOM 231 CG2 ILE A 20 -10.964 -0.777 -6.049 1.00 0.00 C ATOM 232 CD1 ILE A 20 -11.137 -2.138 -8.768 1.00 0.00 C ATOM 0 H ILE A 20 -12.599 1.285 -8.832 1.00 0.00 H new ATOM 0 HA ILE A 20 -13.596 0.155 -6.291 1.00 0.00 H new ATOM 0 HB ILE A 20 -10.991 0.334 -7.885 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -12.831 -2.057 -7.424 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -12.979 -1.004 -8.817 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -10.164 -1.442 -6.375 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -10.540 0.046 -5.473 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -11.666 -1.332 -5.426 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -11.548 -2.964 -9.348 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -10.601 -1.460 -9.432 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -10.450 -2.529 -8.017 1.00 0.00 H new ATOM 244 N PHE A 21 -11.681 2.799 -6.427 1.00 0.00 N ATOM 245 CA PHE A 21 -11.149 3.918 -5.606 1.00 0.00 C ATOM 246 C PHE A 21 -12.326 4.655 -4.964 1.00 0.00 C ATOM 247 O PHE A 21 -12.277 5.076 -3.826 1.00 0.00 O ATOM 248 CB PHE A 21 -10.396 4.808 -6.611 1.00 0.00 C ATOM 249 CG PHE A 21 -10.473 6.265 -6.207 1.00 0.00 C ATOM 250 CD1 PHE A 21 -11.666 6.977 -6.383 1.00 0.00 C ATOM 251 CD2 PHE A 21 -9.351 6.904 -5.664 1.00 0.00 C ATOM 252 CE1 PHE A 21 -11.738 8.326 -6.015 1.00 0.00 C ATOM 253 CE2 PHE A 21 -9.423 8.252 -5.298 1.00 0.00 C ATOM 254 CZ PHE A 21 -10.617 8.963 -5.473 1.00 0.00 C ATOM 0 H PHE A 21 -11.542 2.901 -7.432 1.00 0.00 H new ATOM 0 HA PHE A 21 -10.491 3.602 -4.796 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -9.353 4.497 -6.668 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -10.821 4.680 -7.606 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -12.531 6.485 -6.803 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -8.430 6.356 -5.528 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -12.659 8.874 -6.150 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -8.558 8.745 -4.880 1.00 0.00 H new ATOM 0 HZ PHE A 21 -10.672 10.004 -5.189 1.00 0.00 H new ATOM 264 N ASP A 22 -13.390 4.802 -5.692 1.00 0.00 N ATOM 265 CA ASP A 22 -14.582 5.492 -5.138 1.00 0.00 C ATOM 266 C ASP A 22 -15.514 4.471 -4.483 1.00 0.00 C ATOM 267 O ASP A 22 -16.527 4.817 -3.908 1.00 0.00 O ATOM 268 CB ASP A 22 -15.247 6.151 -6.338 1.00 0.00 C ATOM 269 CG ASP A 22 -16.680 6.544 -5.981 1.00 0.00 C ATOM 270 OD1 ASP A 22 -16.859 7.617 -5.429 1.00 0.00 O ATOM 271 OD2 ASP A 22 -17.575 5.765 -6.263 1.00 0.00 O ATOM 0 H ASP A 22 -13.487 4.473 -6.652 1.00 0.00 H new ATOM 0 HA ASP A 22 -14.328 6.223 -4.371 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -14.682 7.033 -6.640 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -15.248 5.467 -7.187 1.00 0.00 H new ATOM 276 N SER A 23 -15.167 3.215 -4.554 1.00 0.00 N ATOM 277 CA SER A 23 -16.017 2.171 -3.922 1.00 0.00 C ATOM 278 C SER A 23 -15.707 2.122 -2.430 1.00 0.00 C ATOM 279 O SER A 23 -16.417 1.522 -1.649 1.00 0.00 O ATOM 280 CB SER A 23 -15.619 0.864 -4.606 1.00 0.00 C ATOM 281 OG SER A 23 -16.117 -0.233 -3.852 1.00 0.00 O ATOM 0 H SER A 23 -14.330 2.868 -5.023 1.00 0.00 H new ATOM 0 HA SER A 23 -17.084 2.362 -4.031 1.00 0.00 H new ATOM 0 HB2 SER A 23 -16.019 0.834 -5.620 1.00 0.00 H new ATOM 0 HB3 SER A 23 -14.534 0.800 -4.689 1.00 0.00 H new ATOM 0 HG SER A 23 -15.864 -1.073 -4.290 1.00 0.00 H new ATOM 287 N LEU A 24 -14.642 2.762 -2.037 1.00 0.00 N ATOM 288 CA LEU A 24 -14.259 2.782 -0.606 1.00 0.00 C ATOM 289 C LEU A 24 -14.798 4.052 0.045 1.00 0.00 C ATOM 290 O LEU A 24 -15.492 4.003 1.040 1.00 0.00 O ATOM 291 CB LEU A 24 -12.728 2.818 -0.600 1.00 0.00 C ATOM 292 CG LEU A 24 -12.153 1.890 -1.673 1.00 0.00 C ATOM 293 CD1 LEU A 24 -10.707 2.290 -1.963 1.00 0.00 C ATOM 294 CD2 LEU A 24 -12.173 0.451 -1.169 1.00 0.00 C ATOM 0 H LEU A 24 -14.016 3.277 -2.656 1.00 0.00 H new ATOM 0 HA LEU A 24 -14.654 1.924 -0.061 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -12.384 3.838 -0.774 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -12.358 2.519 0.381 1.00 0.00 H new ATOM 0 HG LEU A 24 -12.753 1.971 -2.579 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -10.294 1.631 -2.727 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -10.679 3.320 -2.318 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -10.116 2.204 -1.051 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -11.763 -0.208 -1.934 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -11.571 0.374 -0.264 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -13.199 0.157 -0.948 1.00 0.00 H new ATOM 306 N SER A 25 -14.460 5.180 -0.539 1.00 0.00 N ATOM 307 CA SER A 25 -14.894 6.532 -0.029 1.00 0.00 C ATOM 308 C SER A 25 -13.741 7.514 -0.227 1.00 0.00 C ATOM 309 O SER A 25 -12.891 7.657 0.629 1.00 0.00 O ATOM 310 CB SER A 25 -15.198 6.393 1.465 1.00 0.00 C ATOM 311 OG SER A 25 -14.170 5.636 2.087 1.00 0.00 O ATOM 0 H SER A 25 -13.881 5.224 -1.378 1.00 0.00 H new ATOM 0 HA SER A 25 -15.776 6.891 -0.560 1.00 0.00 H new ATOM 0 HB2 SER A 25 -15.269 7.378 1.926 1.00 0.00 H new ATOM 0 HB3 SER A 25 -16.162 5.904 1.607 1.00 0.00 H new ATOM 0 HG SER A 25 -14.502 4.736 2.286 1.00 0.00 H new ATOM 317 N PRO A 26 -13.742 8.144 -1.365 1.00 0.00 N ATOM 318 CA PRO A 26 -12.670 9.106 -1.702 1.00 0.00 C ATOM 319 C PRO A 26 -12.853 10.416 -0.938 1.00 0.00 C ATOM 320 O PRO A 26 -13.953 10.813 -0.609 1.00 0.00 O ATOM 321 CB PRO A 26 -12.843 9.323 -3.200 1.00 0.00 C ATOM 322 CG PRO A 26 -14.278 9.009 -3.479 1.00 0.00 C ATOM 323 CD PRO A 26 -14.737 8.023 -2.433 1.00 0.00 C ATOM 0 HA PRO A 26 -11.677 8.743 -1.437 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -12.603 10.349 -3.479 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -12.180 8.673 -3.771 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -14.883 9.915 -3.444 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -14.391 8.589 -4.478 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -15.738 8.261 -2.074 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -14.774 7.009 -2.830 1.00 0.00 H new ATOM 331 N VAL A 27 -11.774 11.089 -0.665 1.00 0.00 N ATOM 332 CA VAL A 27 -11.856 12.381 0.067 1.00 0.00 C ATOM 333 C VAL A 27 -11.115 13.455 -0.727 1.00 0.00 C ATOM 334 O VAL A 27 -9.903 13.452 -0.814 1.00 0.00 O ATOM 335 CB VAL A 27 -11.166 12.124 1.407 1.00 0.00 C ATOM 336 CG1 VAL A 27 -11.331 13.348 2.307 1.00 0.00 C ATOM 337 CG2 VAL A 27 -11.803 10.906 2.084 1.00 0.00 C ATOM 0 H VAL A 27 -10.830 10.797 -0.920 1.00 0.00 H new ATOM 0 HA VAL A 27 -12.881 12.726 0.207 1.00 0.00 H new ATOM 0 HB VAL A 27 -10.106 11.935 1.239 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -10.839 13.166 3.263 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -10.880 14.216 1.827 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -12.391 13.536 2.475 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -11.311 10.722 3.039 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -12.863 11.096 2.252 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -11.688 10.032 1.443 1.00 0.00 H new ATOM 347 N ASN A 28 -11.835 14.365 -1.321 1.00 0.00 N ATOM 348 CA ASN A 28 -11.175 15.431 -2.125 1.00 0.00 C ATOM 349 C ASN A 28 -10.318 14.801 -3.227 1.00 0.00 C ATOM 350 O ASN A 28 -9.406 15.414 -3.747 1.00 0.00 O ATOM 351 CB ASN A 28 -10.304 16.201 -1.131 1.00 0.00 C ATOM 352 CG ASN A 28 -9.434 17.206 -1.889 1.00 0.00 C ATOM 353 OD1 ASN A 28 -9.881 18.286 -2.219 1.00 0.00 O ATOM 354 ND2 ASN A 28 -8.201 16.893 -2.179 1.00 0.00 N ATOM 0 H ASN A 28 -12.853 14.417 -1.284 1.00 0.00 H new ATOM 0 HA ASN A 28 -11.894 16.085 -2.618 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -10.932 16.720 -0.407 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -9.675 15.510 -0.570 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -7.612 17.556 -2.683 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -7.826 15.986 -1.901 1.00 0.00 H new ATOM 361 N GLY A 29 -10.611 13.580 -3.591 1.00 0.00 N ATOM 362 CA GLY A 29 -9.823 12.907 -4.665 1.00 0.00 C ATOM 363 C GLY A 29 -8.683 12.096 -4.046 1.00 0.00 C ATOM 364 O GLY A 29 -7.586 12.056 -4.567 1.00 0.00 O ATOM 0 H GLY A 29 -11.363 13.019 -3.190 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -10.471 12.253 -5.248 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -9.420 13.651 -5.352 1.00 0.00 H new ATOM 368 N PHE A 30 -8.926 11.453 -2.937 1.00 0.00 N ATOM 369 CA PHE A 30 -7.843 10.650 -2.294 1.00 0.00 C ATOM 370 C PHE A 30 -8.401 9.465 -1.516 1.00 0.00 C ATOM 371 O PHE A 30 -9.492 9.503 -0.982 1.00 0.00 O ATOM 372 CB PHE A 30 -7.162 11.606 -1.322 1.00 0.00 C ATOM 373 CG PHE A 30 -6.382 12.614 -2.110 1.00 0.00 C ATOM 374 CD1 PHE A 30 -5.075 12.326 -2.500 1.00 0.00 C ATOM 375 CD2 PHE A 30 -6.971 13.832 -2.456 1.00 0.00 C ATOM 376 CE1 PHE A 30 -4.345 13.265 -3.239 1.00 0.00 C ATOM 377 CE2 PHE A 30 -6.248 14.771 -3.193 1.00 0.00 C ATOM 378 CZ PHE A 30 -4.933 14.490 -3.585 1.00 0.00 C ATOM 0 H PHE A 30 -9.822 11.447 -2.449 1.00 0.00 H new ATOM 0 HA PHE A 30 -7.167 10.244 -3.047 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -7.905 12.105 -0.699 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -6.501 11.057 -0.651 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -4.626 11.381 -2.233 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -7.985 14.047 -2.153 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -3.332 13.046 -3.542 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -6.702 15.714 -3.461 1.00 0.00 H new ATOM 0 HZ PHE A 30 -4.372 15.217 -4.154 1.00 0.00 H new ATOM 388 N LEU A 31 -7.624 8.430 -1.411 1.00 0.00 N ATOM 389 CA LEU A 31 -8.053 7.244 -0.626 1.00 0.00 C ATOM 390 C LEU A 31 -7.014 7.008 0.456 1.00 0.00 C ATOM 391 O LEU A 31 -5.834 7.160 0.227 1.00 0.00 O ATOM 392 CB LEU A 31 -8.068 6.063 -1.594 1.00 0.00 C ATOM 393 CG LEU A 31 -9.406 5.978 -2.320 1.00 0.00 C ATOM 394 CD1 LEU A 31 -9.498 4.606 -2.974 1.00 0.00 C ATOM 395 CD2 LEU A 31 -10.556 6.129 -1.323 1.00 0.00 C ATOM 0 H LEU A 31 -6.701 8.353 -1.839 1.00 0.00 H new ATOM 0 HA LEU A 31 -9.033 7.377 -0.168 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -7.261 6.171 -2.319 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.885 5.137 -1.049 1.00 0.00 H new ATOM 0 HG LEU A 31 -9.475 6.772 -3.063 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -10.448 4.517 -3.502 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -8.677 4.484 -3.681 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -9.435 3.833 -2.208 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -11.507 6.067 -1.852 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -10.501 5.333 -0.581 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -10.481 7.095 -0.824 1.00 0.00 H new ATOM 407 N SER A 32 -7.421 6.649 1.630 1.00 0.00 N ATOM 408 CA SER A 32 -6.418 6.426 2.699 1.00 0.00 C ATOM 409 C SER A 32 -5.965 4.976 2.704 1.00 0.00 C ATOM 410 O SER A 32 -6.747 4.076 2.496 1.00 0.00 O ATOM 411 CB SER A 32 -7.133 6.776 3.999 1.00 0.00 C ATOM 412 OG SER A 32 -7.935 5.676 4.402 1.00 0.00 O ATOM 0 H SER A 32 -8.394 6.501 1.898 1.00 0.00 H new ATOM 0 HA SER A 32 -5.524 7.032 2.556 1.00 0.00 H new ATOM 0 HB2 SER A 32 -6.406 7.015 4.775 1.00 0.00 H new ATOM 0 HB3 SER A 32 -7.753 7.662 3.860 1.00 0.00 H new ATOM 0 HG SER A 32 -8.395 5.896 5.239 1.00 0.00 H new ATOM 418 N GLY A 33 -4.703 4.745 2.943 1.00 0.00 N ATOM 419 CA GLY A 33 -4.196 3.342 2.975 1.00 0.00 C ATOM 420 C GLY A 33 -5.213 2.464 3.704 1.00 0.00 C ATOM 421 O GLY A 33 -5.327 1.282 3.452 1.00 0.00 O ATOM 0 H GLY A 33 -4.002 5.465 3.117 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -4.039 2.975 1.961 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -3.232 3.301 3.481 1.00 0.00 H new ATOM 425 N ASP A 34 -5.962 3.047 4.602 1.00 0.00 N ATOM 426 CA ASP A 34 -6.987 2.267 5.347 1.00 0.00 C ATOM 427 C ASP A 34 -8.025 1.699 4.374 1.00 0.00 C ATOM 428 O ASP A 34 -8.616 0.665 4.619 1.00 0.00 O ATOM 429 CB ASP A 34 -7.634 3.271 6.297 1.00 0.00 C ATOM 430 CG ASP A 34 -7.772 2.645 7.687 1.00 0.00 C ATOM 431 OD1 ASP A 34 -6.855 1.955 8.100 1.00 0.00 O ATOM 432 OD2 ASP A 34 -8.794 2.869 8.316 1.00 0.00 O ATOM 0 H ASP A 34 -5.906 4.035 4.851 1.00 0.00 H new ATOM 0 HA ASP A 34 -6.557 1.421 5.882 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -7.029 4.176 6.353 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -8.614 3.565 5.920 1.00 0.00 H new ATOM 437 N LYS A 35 -8.244 2.359 3.266 1.00 0.00 N ATOM 438 CA LYS A 35 -9.228 1.848 2.278 1.00 0.00 C ATOM 439 C LYS A 35 -8.485 1.063 1.206 1.00 0.00 C ATOM 440 O LYS A 35 -8.980 0.091 0.670 1.00 0.00 O ATOM 441 CB LYS A 35 -9.882 3.098 1.691 1.00 0.00 C ATOM 442 CG LYS A 35 -10.457 3.947 2.825 1.00 0.00 C ATOM 443 CD LYS A 35 -11.333 5.057 2.245 1.00 0.00 C ATOM 444 CE LYS A 35 -11.436 6.207 3.251 1.00 0.00 C ATOM 445 NZ LYS A 35 -11.059 7.425 2.482 1.00 0.00 N ATOM 0 H LYS A 35 -7.781 3.230 3.007 1.00 0.00 H new ATOM 0 HA LYS A 35 -9.973 1.182 2.714 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -9.150 3.674 1.125 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -10.672 2.816 0.995 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -11.044 3.322 3.498 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -9.648 4.379 3.414 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -10.909 5.417 1.308 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -12.326 4.669 2.017 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -12.446 6.291 3.653 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -10.767 6.052 4.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -11.267 8.272 3.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -10.043 7.396 2.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -11.604 7.459 1.597 1.00 0.00 H new ATOM 459 N VAL A 36 -7.285 1.470 0.902 1.00 0.00 N ATOM 460 CA VAL A 36 -6.494 0.740 -0.124 1.00 0.00 C ATOM 461 C VAL A 36 -5.926 -0.551 0.473 1.00 0.00 C ATOM 462 O VAL A 36 -5.959 -1.599 -0.139 1.00 0.00 O ATOM 463 CB VAL A 36 -5.359 1.684 -0.501 1.00 0.00 C ATOM 464 CG1 VAL A 36 -4.459 0.993 -1.522 1.00 0.00 C ATOM 465 CG2 VAL A 36 -5.933 2.967 -1.106 1.00 0.00 C ATOM 0 H VAL A 36 -6.819 2.276 1.319 1.00 0.00 H new ATOM 0 HA VAL A 36 -7.099 0.463 -0.987 1.00 0.00 H new ATOM 0 HB VAL A 36 -4.782 1.938 0.388 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.643 1.661 -1.799 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -4.050 0.081 -1.088 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -5.040 0.744 -2.410 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -5.118 3.639 -1.374 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -6.510 2.722 -1.998 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -6.581 3.455 -0.377 1.00 0.00 H new ATOM 475 N LYS A 37 -5.400 -0.478 1.668 1.00 0.00 N ATOM 476 CA LYS A 37 -4.820 -1.693 2.313 1.00 0.00 C ATOM 477 C LYS A 37 -5.703 -2.920 2.050 1.00 0.00 C ATOM 478 O LYS A 37 -5.244 -3.905 1.509 1.00 0.00 O ATOM 479 CB LYS A 37 -4.771 -1.358 3.808 1.00 0.00 C ATOM 480 CG LYS A 37 -4.675 -2.645 4.634 1.00 0.00 C ATOM 481 CD LYS A 37 -4.708 -2.297 6.124 1.00 0.00 C ATOM 482 CE LYS A 37 -4.795 -3.581 6.954 1.00 0.00 C ATOM 483 NZ LYS A 37 -4.651 -3.134 8.368 1.00 0.00 N ATOM 0 H LYS A 37 -5.347 0.374 2.227 1.00 0.00 H new ATOM 0 HA LYS A 37 -3.834 -1.939 1.920 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -3.914 -0.718 4.017 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -5.663 -0.800 4.093 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -5.501 -3.311 4.387 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -3.754 -3.176 4.394 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -3.813 -1.737 6.396 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -5.563 -1.656 6.338 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -5.746 -4.090 6.796 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -4.008 -4.283 6.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -4.700 -3.959 9.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -3.734 -2.659 8.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -5.418 -2.472 8.603 1.00 0.00 H new ATOM 497 N PRO A 38 -6.950 -2.821 2.431 1.00 0.00 N ATOM 498 CA PRO A 38 -7.894 -3.948 2.218 1.00 0.00 C ATOM 499 C PRO A 38 -8.102 -4.172 0.721 1.00 0.00 C ATOM 500 O PRO A 38 -8.261 -5.286 0.262 1.00 0.00 O ATOM 501 CB PRO A 38 -9.176 -3.471 2.899 1.00 0.00 C ATOM 502 CG PRO A 38 -9.065 -1.983 2.907 1.00 0.00 C ATOM 503 CD PRO A 38 -7.603 -1.677 3.076 1.00 0.00 C ATOM 0 HA PRO A 38 -7.545 -4.899 2.620 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -10.061 -3.800 2.354 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -9.259 -3.868 3.911 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -9.448 -1.558 1.979 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -9.650 -1.553 3.720 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -7.330 -0.735 2.600 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -7.327 -1.594 4.127 1.00 0.00 H new ATOM 511 N VAL A 39 -8.085 -3.117 -0.045 1.00 0.00 N ATOM 512 CA VAL A 39 -8.263 -3.256 -1.518 1.00 0.00 C ATOM 513 C VAL A 39 -7.109 -4.082 -2.103 1.00 0.00 C ATOM 514 O VAL A 39 -7.288 -4.850 -3.026 1.00 0.00 O ATOM 515 CB VAL A 39 -8.235 -1.815 -2.049 1.00 0.00 C ATOM 516 CG1 VAL A 39 -7.669 -1.780 -3.472 1.00 0.00 C ATOM 517 CG2 VAL A 39 -9.658 -1.251 -2.059 1.00 0.00 C ATOM 0 H VAL A 39 -7.955 -2.161 0.287 1.00 0.00 H new ATOM 0 HA VAL A 39 -9.186 -3.768 -1.790 1.00 0.00 H new ATOM 0 HB VAL A 39 -7.599 -1.213 -1.400 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -7.656 -0.752 -3.833 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -6.654 -2.177 -3.470 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -8.294 -2.387 -4.127 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -9.641 -0.228 -2.435 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -10.288 -1.864 -2.703 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -10.059 -1.258 -1.046 1.00 0.00 H new ATOM 527 N LEU A 40 -5.928 -3.921 -1.571 1.00 0.00 N ATOM 528 CA LEU A 40 -4.762 -4.688 -2.093 1.00 0.00 C ATOM 529 C LEU A 40 -4.698 -6.057 -1.425 1.00 0.00 C ATOM 530 O LEU A 40 -4.228 -7.020 -2.000 1.00 0.00 O ATOM 531 CB LEU A 40 -3.540 -3.857 -1.714 1.00 0.00 C ATOM 532 CG LEU A 40 -3.754 -2.408 -2.140 1.00 0.00 C ATOM 533 CD1 LEU A 40 -2.592 -1.557 -1.625 1.00 0.00 C ATOM 534 CD2 LEU A 40 -3.810 -2.335 -3.667 1.00 0.00 C ATOM 0 H LEU A 40 -5.720 -3.291 -0.796 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.825 -4.855 -3.168 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.372 -3.909 -0.638 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.650 -4.261 -2.196 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.690 -2.033 -1.726 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.739 -0.520 -1.926 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.551 -1.617 -0.537 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.656 -1.927 -2.044 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.963 -1.301 -3.976 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.873 -2.704 -4.084 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.635 -2.948 -4.031 1.00 0.00 H new ATOM 546 N LEU A 41 -5.175 -6.157 -0.218 1.00 0.00 N ATOM 547 CA LEU A 41 -5.151 -7.466 0.479 1.00 0.00 C ATOM 548 C LEU A 41 -6.178 -8.388 -0.162 1.00 0.00 C ATOM 549 O LEU A 41 -6.183 -9.584 0.054 1.00 0.00 O ATOM 550 CB LEU A 41 -5.540 -7.164 1.922 1.00 0.00 C ATOM 551 CG LEU A 41 -4.389 -6.450 2.623 1.00 0.00 C ATOM 552 CD1 LEU A 41 -4.922 -5.754 3.876 1.00 0.00 C ATOM 553 CD2 LEU A 41 -3.327 -7.479 3.018 1.00 0.00 C ATOM 0 H LEU A 41 -5.580 -5.387 0.315 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.178 -7.954 0.422 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -6.435 -6.543 1.946 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -5.780 -8.089 2.446 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.947 -5.710 1.956 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.105 -5.241 4.383 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -5.685 -5.029 3.593 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -5.357 -6.495 4.547 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.501 -6.975 3.520 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.766 -8.215 3.692 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.957 -7.981 2.124 1.00 0.00 H new ATOM 565 N ASN A 42 -7.053 -7.833 -0.952 1.00 0.00 N ATOM 566 CA ASN A 42 -8.084 -8.669 -1.610 1.00 0.00 C ATOM 567 C ASN A 42 -7.473 -9.395 -2.808 1.00 0.00 C ATOM 568 O ASN A 42 -8.059 -10.301 -3.369 1.00 0.00 O ATOM 569 CB ASN A 42 -9.159 -7.684 -2.068 1.00 0.00 C ATOM 570 CG ASN A 42 -10.542 -8.315 -1.904 1.00 0.00 C ATOM 571 OD1 ASN A 42 -10.689 -9.330 -1.253 1.00 0.00 O ATOM 572 ND2 ASN A 42 -11.573 -7.750 -2.474 1.00 0.00 N ATOM 0 H ASN A 42 -7.096 -6.837 -1.168 1.00 0.00 H new ATOM 0 HA ASN A 42 -8.491 -9.431 -0.946 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -9.096 -6.766 -1.484 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -8.995 -7.411 -3.110 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -12.501 -8.161 -2.372 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -11.450 -6.898 -3.021 1.00 0.00 H new ATOM 579 N SER A 43 -6.294 -8.999 -3.204 1.00 0.00 N ATOM 580 CA SER A 43 -5.631 -9.656 -4.363 1.00 0.00 C ATOM 581 C SER A 43 -4.956 -10.956 -3.916 1.00 0.00 C ATOM 582 O SER A 43 -4.295 -11.623 -4.687 1.00 0.00 O ATOM 583 CB SER A 43 -4.589 -8.645 -4.836 1.00 0.00 C ATOM 584 OG SER A 43 -3.527 -8.587 -3.893 1.00 0.00 O ATOM 0 H SER A 43 -5.760 -8.245 -2.772 1.00 0.00 H new ATOM 0 HA SER A 43 -6.334 -9.920 -5.153 1.00 0.00 H new ATOM 0 HB2 SER A 43 -4.206 -8.932 -5.815 1.00 0.00 H new ATOM 0 HB3 SER A 43 -5.045 -7.661 -4.948 1.00 0.00 H new ATOM 0 HG SER A 43 -3.853 -8.194 -3.057 1.00 0.00 H new ATOM 590 N LYS A 44 -5.118 -11.320 -2.672 1.00 0.00 N ATOM 591 CA LYS A 44 -4.485 -12.574 -2.167 1.00 0.00 C ATOM 592 C LYS A 44 -2.962 -12.414 -2.118 1.00 0.00 C ATOM 593 O LYS A 44 -2.229 -13.378 -2.019 1.00 0.00 O ATOM 594 CB LYS A 44 -4.884 -13.660 -3.170 1.00 0.00 C ATOM 595 CG LYS A 44 -5.161 -14.965 -2.421 1.00 0.00 C ATOM 596 CD LYS A 44 -5.160 -16.134 -3.409 1.00 0.00 C ATOM 597 CE LYS A 44 -6.472 -16.135 -4.198 1.00 0.00 C ATOM 598 NZ LYS A 44 -7.019 -17.512 -4.033 1.00 0.00 N ATOM 0 H LYS A 44 -5.662 -10.802 -1.982 1.00 0.00 H new ATOM 0 HA LYS A 44 -4.810 -12.821 -1.156 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -5.770 -13.351 -3.725 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -4.087 -13.808 -3.899 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.403 -15.124 -1.654 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -6.123 -14.907 -1.912 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.313 -16.048 -4.090 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.044 -17.077 -2.874 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -7.165 -15.386 -3.813 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -6.301 -15.901 -5.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -7.920 -17.592 -4.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -6.341 -18.203 -4.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -7.178 -17.704 -3.023 1.00 0.00 H new ATOM 612 N LEU A 45 -2.483 -11.201 -2.183 1.00 0.00 N ATOM 613 CA LEU A 45 -1.011 -10.972 -2.135 1.00 0.00 C ATOM 614 C LEU A 45 -0.578 -10.651 -0.704 1.00 0.00 C ATOM 615 O LEU A 45 -1.353 -10.139 0.078 1.00 0.00 O ATOM 616 CB LEU A 45 -0.768 -9.770 -3.049 1.00 0.00 C ATOM 617 CG LEU A 45 -0.604 -10.245 -4.492 1.00 0.00 C ATOM 618 CD1 LEU A 45 -0.487 -9.028 -5.412 1.00 0.00 C ATOM 619 CD2 LEU A 45 0.663 -11.096 -4.609 1.00 0.00 C ATOM 0 H LEU A 45 -3.049 -10.357 -2.267 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.444 -11.847 -2.453 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.603 -9.073 -2.978 1.00 0.00 H new ATOM 0 HB3 LEU A 45 0.125 -9.232 -2.729 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.469 -10.842 -4.781 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.370 -9.361 -6.443 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.388 -8.420 -5.327 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.380 -8.434 -5.122 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.780 -11.435 -5.638 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.529 -10.500 -4.323 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.583 -11.960 -3.949 1.00 0.00 H new ATOM 631 N PRO A 46 0.652 -10.965 -0.410 1.00 0.00 N ATOM 632 CA PRO A 46 1.197 -10.707 0.939 1.00 0.00 C ATOM 633 C PRO A 46 1.465 -9.211 1.133 1.00 0.00 C ATOM 634 O PRO A 46 1.320 -8.420 0.224 1.00 0.00 O ATOM 635 CB PRO A 46 2.491 -11.514 0.962 1.00 0.00 C ATOM 636 CG PRO A 46 2.897 -11.654 -0.467 1.00 0.00 C ATOM 637 CD PRO A 46 1.641 -11.581 -1.298 1.00 0.00 C ATOM 0 HA PRO A 46 0.516 -10.991 1.741 1.00 0.00 H new ATOM 0 HB2 PRO A 46 3.261 -11.005 1.541 1.00 0.00 H new ATOM 0 HB3 PRO A 46 2.338 -12.489 1.424 1.00 0.00 H new ATOM 0 HG2 PRO A 46 3.591 -10.862 -0.749 1.00 0.00 H new ATOM 0 HG3 PRO A 46 3.411 -12.601 -0.630 1.00 0.00 H new ATOM 0 HD2 PRO A 46 1.794 -10.984 -2.197 1.00 0.00 H new ATOM 0 HD3 PRO A 46 1.321 -12.571 -1.623 1.00 0.00 H new ATOM 645 N VAL A 47 1.855 -8.822 2.313 1.00 0.00 N ATOM 646 CA VAL A 47 2.134 -7.388 2.587 1.00 0.00 C ATOM 647 C VAL A 47 3.414 -6.969 1.867 1.00 0.00 C ATOM 648 O VAL A 47 3.774 -5.809 1.832 1.00 0.00 O ATOM 649 CB VAL A 47 2.318 -7.338 4.106 1.00 0.00 C ATOM 650 CG1 VAL A 47 2.990 -6.028 4.519 1.00 0.00 C ATOM 651 CG2 VAL A 47 0.951 -7.445 4.782 1.00 0.00 C ATOM 0 H VAL A 47 1.994 -9.445 3.109 1.00 0.00 H new ATOM 0 HA VAL A 47 1.347 -6.716 2.244 1.00 0.00 H new ATOM 0 HB VAL A 47 2.952 -8.169 4.415 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.114 -6.008 5.602 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.967 -5.954 4.041 1.00 0.00 H new ATOM 0 HG13 VAL A 47 2.369 -5.187 4.209 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.077 -7.410 5.864 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.321 -6.615 4.463 1.00 0.00 H new ATOM 0 HG23 VAL A 47 0.479 -8.387 4.502 1.00 0.00 H new ATOM 661 N ASP A 48 4.102 -7.910 1.284 1.00 0.00 N ATOM 662 CA ASP A 48 5.353 -7.574 0.567 1.00 0.00 C ATOM 663 C ASP A 48 5.018 -7.029 -0.816 1.00 0.00 C ATOM 664 O ASP A 48 5.704 -6.176 -1.345 1.00 0.00 O ATOM 665 CB ASP A 48 6.115 -8.890 0.468 1.00 0.00 C ATOM 666 CG ASP A 48 6.911 -9.117 1.754 1.00 0.00 C ATOM 667 OD1 ASP A 48 6.291 -9.246 2.795 1.00 0.00 O ATOM 668 OD2 ASP A 48 8.129 -9.158 1.675 1.00 0.00 O ATOM 0 H ASP A 48 3.848 -8.898 1.276 1.00 0.00 H new ATOM 0 HA ASP A 48 5.941 -6.810 1.076 1.00 0.00 H new ATOM 0 HB2 ASP A 48 5.420 -9.714 0.308 1.00 0.00 H new ATOM 0 HB3 ASP A 48 6.787 -8.869 -0.390 1.00 0.00 H new ATOM 673 N ILE A 49 3.953 -7.500 -1.401 1.00 0.00 N ATOM 674 CA ILE A 49 3.564 -6.989 -2.741 1.00 0.00 C ATOM 675 C ILE A 49 2.781 -5.697 -2.563 1.00 0.00 C ATOM 676 O ILE A 49 2.901 -4.763 -3.331 1.00 0.00 O ATOM 677 CB ILE A 49 2.667 -8.058 -3.359 1.00 0.00 C ATOM 678 CG1 ILE A 49 3.238 -9.444 -3.079 1.00 0.00 C ATOM 679 CG2 ILE A 49 2.592 -7.833 -4.867 1.00 0.00 C ATOM 680 CD1 ILE A 49 4.693 -9.499 -3.529 1.00 0.00 C ATOM 0 H ILE A 49 3.338 -8.214 -1.010 1.00 0.00 H new ATOM 0 HA ILE A 49 4.429 -6.788 -3.373 1.00 0.00 H new ATOM 0 HB ILE A 49 1.670 -7.991 -2.923 1.00 0.00 H new ATOM 0 HG12 ILE A 49 3.167 -9.669 -2.015 1.00 0.00 H new ATOM 0 HG13 ILE A 49 2.656 -10.201 -3.604 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.953 -8.593 -5.317 1.00 0.00 H new ATOM 0 HG22 ILE A 49 2.177 -6.845 -5.067 1.00 0.00 H new ATOM 0 HG23 ILE A 49 3.592 -7.900 -5.295 1.00 0.00 H new ATOM 0 HD11 ILE A 49 5.099 -10.490 -3.328 1.00 0.00 H new ATOM 0 HD12 ILE A 49 4.751 -9.293 -4.598 1.00 0.00 H new ATOM 0 HD13 ILE A 49 5.271 -8.753 -2.984 1.00 0.00 H new ATOM 692 N LEU A 50 1.985 -5.646 -1.536 1.00 0.00 N ATOM 693 CA LEU A 50 1.186 -4.427 -1.266 1.00 0.00 C ATOM 694 C LEU A 50 2.101 -3.349 -0.697 1.00 0.00 C ATOM 695 O LEU A 50 1.860 -2.167 -0.847 1.00 0.00 O ATOM 696 CB LEU A 50 0.155 -4.857 -0.230 1.00 0.00 C ATOM 697 CG LEU A 50 -0.519 -6.158 -0.676 1.00 0.00 C ATOM 698 CD1 LEU A 50 -1.603 -6.543 0.330 1.00 0.00 C ATOM 699 CD2 LEU A 50 -1.146 -5.963 -2.059 1.00 0.00 C ATOM 0 H LEU A 50 1.854 -6.405 -0.867 1.00 0.00 H new ATOM 0 HA LEU A 50 0.712 -4.020 -2.159 1.00 0.00 H new ATOM 0 HB2 LEU A 50 0.636 -4.999 0.738 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.593 -4.075 -0.102 1.00 0.00 H new ATOM 0 HG LEU A 50 0.225 -6.953 -0.727 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.082 -7.469 0.012 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.153 -6.686 1.313 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.348 -5.749 0.384 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.625 -6.890 -2.375 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.890 -5.167 -2.012 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.370 -5.693 -2.775 1.00 0.00 H new ATOM 711 N GLY A 51 3.167 -3.752 -0.063 1.00 0.00 N ATOM 712 CA GLY A 51 4.115 -2.749 0.490 1.00 0.00 C ATOM 713 C GLY A 51 4.835 -2.107 -0.687 1.00 0.00 C ATOM 714 O GLY A 51 5.305 -0.990 -0.621 1.00 0.00 O ATOM 0 H GLY A 51 3.421 -4.727 0.095 1.00 0.00 H new ATOM 0 HA2 GLY A 51 3.582 -1.996 1.071 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.828 -3.225 1.163 1.00 0.00 H new ATOM 718 N ARG A 52 4.906 -2.821 -1.775 1.00 0.00 N ATOM 719 CA ARG A 52 5.573 -2.289 -2.990 1.00 0.00 C ATOM 720 C ARG A 52 4.527 -1.789 -3.979 1.00 0.00 C ATOM 721 O ARG A 52 4.757 -0.850 -4.716 1.00 0.00 O ATOM 722 CB ARG A 52 6.325 -3.482 -3.570 1.00 0.00 C ATOM 723 CG ARG A 52 7.827 -3.235 -3.470 1.00 0.00 C ATOM 724 CD ARG A 52 8.568 -4.242 -4.350 1.00 0.00 C ATOM 725 NE ARG A 52 9.308 -5.114 -3.397 1.00 0.00 N ATOM 726 CZ ARG A 52 9.231 -6.411 -3.503 1.00 0.00 C ATOM 727 NH1 ARG A 52 9.909 -7.031 -4.432 1.00 0.00 N ATOM 728 NH2 ARG A 52 8.476 -7.087 -2.684 1.00 0.00 N ATOM 0 H ARG A 52 4.525 -3.762 -1.873 1.00 0.00 H new ATOM 0 HA ARG A 52 6.235 -1.451 -2.772 1.00 0.00 H new ATOM 0 HB2 ARG A 52 6.059 -4.391 -3.030 1.00 0.00 H new ATOM 0 HB3 ARG A 52 6.039 -3.634 -4.611 1.00 0.00 H new ATOM 0 HG2 ARG A 52 8.061 -2.218 -3.786 1.00 0.00 H new ATOM 0 HG3 ARG A 52 8.154 -3.331 -2.435 1.00 0.00 H new ATOM 0 HD2 ARG A 52 7.873 -4.822 -4.958 1.00 0.00 H new ATOM 0 HD3 ARG A 52 9.250 -3.740 -5.037 1.00 0.00 H new ATOM 0 HE ARG A 52 9.876 -4.696 -2.660 1.00 0.00 H new ATOM 0 HH11 ARG A 52 10.498 -6.500 -5.074 1.00 0.00 H new ATOM 0 HH12 ARG A 52 9.849 -8.046 -4.516 1.00 0.00 H new ATOM 0 HH21 ARG A 52 7.946 -6.601 -1.961 1.00 0.00 H new ATOM 0 HH22 ARG A 52 8.415 -8.102 -2.766 1.00 0.00 H new ATOM 742 N VAL A 53 3.374 -2.398 -4.002 1.00 0.00 N ATOM 743 CA VAL A 53 2.329 -1.931 -4.949 1.00 0.00 C ATOM 744 C VAL A 53 1.798 -0.586 -4.475 1.00 0.00 C ATOM 745 O VAL A 53 1.521 0.298 -5.261 1.00 0.00 O ATOM 746 CB VAL A 53 1.242 -3.004 -4.921 1.00 0.00 C ATOM 747 CG1 VAL A 53 -0.081 -2.413 -5.418 1.00 0.00 C ATOM 748 CG2 VAL A 53 1.658 -4.157 -5.837 1.00 0.00 C ATOM 0 H VAL A 53 3.114 -3.189 -3.413 1.00 0.00 H new ATOM 0 HA VAL A 53 2.703 -1.792 -5.963 1.00 0.00 H new ATOM 0 HB VAL A 53 1.112 -3.367 -3.901 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -0.854 -3.182 -5.397 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -0.375 -1.585 -4.773 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.043 -2.051 -6.439 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.888 -4.928 -5.824 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.783 -3.786 -6.854 1.00 0.00 H new ATOM 0 HG23 VAL A 53 2.600 -4.579 -5.486 1.00 0.00 H new ATOM 758 N TRP A 54 1.673 -0.413 -3.189 1.00 0.00 N ATOM 759 CA TRP A 54 1.182 0.891 -2.679 1.00 0.00 C ATOM 760 C TRP A 54 2.262 1.955 -2.879 1.00 0.00 C ATOM 761 O TRP A 54 1.999 3.022 -3.380 1.00 0.00 O ATOM 762 CB TRP A 54 0.908 0.700 -1.180 1.00 0.00 C ATOM 763 CG TRP A 54 0.906 2.048 -0.528 1.00 0.00 C ATOM 764 CD1 TRP A 54 2.016 2.761 -0.235 1.00 0.00 C ATOM 765 CD2 TRP A 54 -0.226 2.863 -0.112 1.00 0.00 C ATOM 766 NE1 TRP A 54 1.642 3.965 0.318 1.00 0.00 N ATOM 767 CE2 TRP A 54 0.269 4.074 0.427 1.00 0.00 C ATOM 768 CE3 TRP A 54 -1.618 2.673 -0.149 1.00 0.00 C ATOM 769 CZ2 TRP A 54 -0.588 5.062 0.911 1.00 0.00 C ATOM 770 CZ3 TRP A 54 -2.484 3.667 0.340 1.00 0.00 C ATOM 771 CH2 TRP A 54 -1.969 4.856 0.869 1.00 0.00 C ATOM 0 H TRP A 54 1.888 -1.112 -2.478 1.00 0.00 H new ATOM 0 HA TRP A 54 0.283 1.213 -3.204 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -0.051 0.204 -1.029 1.00 0.00 H new ATOM 0 HB3 TRP A 54 1.671 0.063 -0.733 1.00 0.00 H new ATOM 0 HD1 TRP A 54 3.032 2.438 -0.407 1.00 0.00 H new ATOM 0 HE1 TRP A 54 2.298 4.688 0.611 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -2.025 1.759 -0.555 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -0.187 5.980 1.315 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -3.552 3.512 0.307 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -2.640 5.615 1.245 1.00 0.00 H new ATOM 782 N GLU A 55 3.473 1.684 -2.463 1.00 0.00 N ATOM 783 CA GLU A 55 4.543 2.711 -2.611 1.00 0.00 C ATOM 784 C GLU A 55 4.681 3.121 -4.072 1.00 0.00 C ATOM 785 O GLU A 55 4.569 4.283 -4.410 1.00 0.00 O ATOM 786 CB GLU A 55 5.809 2.048 -2.088 1.00 0.00 C ATOM 787 CG GLU A 55 5.602 1.670 -0.622 1.00 0.00 C ATOM 788 CD GLU A 55 5.909 2.879 0.266 1.00 0.00 C ATOM 789 OE1 GLU A 55 7.079 3.155 0.472 1.00 0.00 O ATOM 790 OE2 GLU A 55 4.969 3.506 0.724 1.00 0.00 O ATOM 0 H GLU A 55 3.763 0.806 -2.032 1.00 0.00 H new ATOM 0 HA GLU A 55 4.324 3.625 -2.060 1.00 0.00 H new ATOM 0 HB2 GLU A 55 6.040 1.160 -2.677 1.00 0.00 H new ATOM 0 HB3 GLU A 55 6.657 2.726 -2.186 1.00 0.00 H new ATOM 0 HG2 GLU A 55 4.576 1.339 -0.462 1.00 0.00 H new ATOM 0 HG3 GLU A 55 6.251 0.836 -0.356 1.00 0.00 H new ATOM 797 N LEU A 56 4.883 2.184 -4.951 1.00 0.00 N ATOM 798 CA LEU A 56 4.978 2.552 -6.391 1.00 0.00 C ATOM 799 C LEU A 56 3.634 3.154 -6.828 1.00 0.00 C ATOM 800 O LEU A 56 3.510 3.724 -7.894 1.00 0.00 O ATOM 801 CB LEU A 56 5.270 1.244 -7.138 1.00 0.00 C ATOM 802 CG LEU A 56 6.600 0.650 -6.655 1.00 0.00 C ATOM 803 CD1 LEU A 56 6.496 -0.875 -6.647 1.00 0.00 C ATOM 804 CD2 LEU A 56 7.735 1.073 -7.598 1.00 0.00 C ATOM 0 H LEU A 56 4.986 1.191 -4.741 1.00 0.00 H new ATOM 0 HA LEU A 56 5.756 3.288 -6.594 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.462 0.532 -6.971 1.00 0.00 H new ATOM 0 HB3 LEU A 56 5.314 1.430 -8.211 1.00 0.00 H new ATOM 0 HG LEU A 56 6.812 1.014 -5.650 1.00 0.00 H new ATOM 0 HD11 LEU A 56 7.439 -1.302 -6.305 1.00 0.00 H new ATOM 0 HD12 LEU A 56 5.694 -1.181 -5.976 1.00 0.00 H new ATOM 0 HD13 LEU A 56 6.282 -1.230 -7.655 1.00 0.00 H new ATOM 0 HD21 LEU A 56 8.676 0.648 -7.249 1.00 0.00 H new ATOM 0 HD22 LEU A 56 7.525 0.712 -8.605 1.00 0.00 H new ATOM 0 HD23 LEU A 56 7.811 2.160 -7.611 1.00 0.00 H new ATOM 816 N SER A 57 2.629 3.037 -5.993 1.00 0.00 N ATOM 817 CA SER A 57 1.290 3.602 -6.323 1.00 0.00 C ATOM 818 C SER A 57 1.114 4.967 -5.644 1.00 0.00 C ATOM 819 O SER A 57 0.538 5.880 -6.202 1.00 0.00 O ATOM 820 CB SER A 57 0.297 2.592 -5.757 1.00 0.00 C ATOM 821 OG SER A 57 0.123 1.536 -6.692 1.00 0.00 O ATOM 0 H SER A 57 2.684 2.569 -5.089 1.00 0.00 H new ATOM 0 HA SER A 57 1.153 3.759 -7.393 1.00 0.00 H new ATOM 0 HB2 SER A 57 0.661 2.198 -4.808 1.00 0.00 H new ATOM 0 HB3 SER A 57 -0.658 3.077 -5.555 1.00 0.00 H new ATOM 0 HG SER A 57 0.489 0.706 -6.320 1.00 0.00 H new ATOM 827 N ASP A 58 1.609 5.112 -4.441 1.00 0.00 N ATOM 828 CA ASP A 58 1.473 6.411 -3.723 1.00 0.00 C ATOM 829 C ASP A 58 2.335 7.476 -4.403 1.00 0.00 C ATOM 830 O ASP A 58 3.475 7.693 -4.039 1.00 0.00 O ATOM 831 CB ASP A 58 1.973 6.139 -2.305 1.00 0.00 C ATOM 832 CG ASP A 58 1.128 6.940 -1.311 1.00 0.00 C ATOM 833 OD1 ASP A 58 0.387 7.805 -1.754 1.00 0.00 O ATOM 834 OD2 ASP A 58 1.237 6.677 -0.124 1.00 0.00 O ATOM 0 H ASP A 58 2.103 4.383 -3.925 1.00 0.00 H new ATOM 0 HA ASP A 58 0.447 6.780 -3.725 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.907 5.074 -2.081 1.00 0.00 H new ATOM 0 HB3 ASP A 58 3.023 6.419 -2.217 1.00 0.00 H new ATOM 839 N ILE A 59 1.802 8.138 -5.392 1.00 0.00 N ATOM 840 CA ILE A 59 2.592 9.183 -6.101 1.00 0.00 C ATOM 841 C ILE A 59 3.063 10.257 -5.115 1.00 0.00 C ATOM 842 O ILE A 59 4.083 10.887 -5.313 1.00 0.00 O ATOM 843 CB ILE A 59 1.627 9.782 -7.123 1.00 0.00 C ATOM 844 CG1 ILE A 59 1.157 8.684 -8.081 1.00 0.00 C ATOM 845 CG2 ILE A 59 2.341 10.880 -7.913 1.00 0.00 C ATOM 846 CD1 ILE A 59 2.372 8.018 -8.726 1.00 0.00 C ATOM 0 H ILE A 59 0.853 8.000 -5.740 1.00 0.00 H new ATOM 0 HA ILE A 59 3.486 8.774 -6.572 1.00 0.00 H new ATOM 0 HB ILE A 59 0.766 10.208 -6.608 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.567 7.944 -7.541 1.00 0.00 H new ATOM 0 HG13 ILE A 59 0.511 9.109 -8.849 1.00 0.00 H new ATOM 0 HG21 ILE A 59 1.654 11.309 -8.643 1.00 0.00 H new ATOM 0 HG22 ILE A 59 2.677 11.660 -7.230 1.00 0.00 H new ATOM 0 HG23 ILE A 59 3.201 10.455 -8.430 1.00 0.00 H new ATOM 0 HD11 ILE A 59 2.039 7.236 -9.408 1.00 0.00 H new ATOM 0 HD12 ILE A 59 2.944 8.763 -9.279 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.001 7.580 -7.951 1.00 0.00 H new ATOM 858 N ASP A 60 2.329 10.471 -4.056 1.00 0.00 N ATOM 859 CA ASP A 60 2.740 11.508 -3.065 1.00 0.00 C ATOM 860 C ASP A 60 3.151 10.855 -1.743 1.00 0.00 C ATOM 861 O ASP A 60 3.494 11.528 -0.791 1.00 0.00 O ATOM 862 CB ASP A 60 1.502 12.387 -2.870 1.00 0.00 C ATOM 863 CG ASP A 60 0.407 11.585 -2.162 1.00 0.00 C ATOM 864 OD1 ASP A 60 0.641 10.422 -1.877 1.00 0.00 O ATOM 865 OD2 ASP A 60 -0.646 12.148 -1.920 1.00 0.00 O ATOM 0 H ASP A 60 1.466 9.975 -3.835 1.00 0.00 H new ATOM 0 HA ASP A 60 3.599 12.084 -3.409 1.00 0.00 H new ATOM 0 HB2 ASP A 60 1.759 13.268 -2.282 1.00 0.00 H new ATOM 0 HB3 ASP A 60 1.140 12.742 -3.835 1.00 0.00 H new ATOM 870 N HIS A 61 3.114 9.547 -1.675 1.00 0.00 N ATOM 871 CA HIS A 61 3.497 8.838 -0.416 1.00 0.00 C ATOM 872 C HIS A 61 2.973 9.593 0.804 1.00 0.00 C ATOM 873 O HIS A 61 3.702 9.877 1.733 1.00 0.00 O ATOM 874 CB HIS A 61 5.033 8.776 -0.405 1.00 0.00 C ATOM 875 CG HIS A 61 5.620 10.112 -0.771 1.00 0.00 C ATOM 876 ND1 HIS A 61 5.940 11.068 0.181 1.00 0.00 N ATOM 877 CD2 HIS A 61 5.952 10.665 -1.982 1.00 0.00 C ATOM 878 CE1 HIS A 61 6.441 12.134 -0.468 1.00 0.00 C ATOM 879 NE2 HIS A 61 6.470 11.941 -1.790 1.00 0.00 N ATOM 0 H HIS A 61 2.833 8.937 -2.443 1.00 0.00 H new ATOM 0 HA HIS A 61 3.066 7.838 -0.377 1.00 0.00 H new ATOM 0 HB2 HIS A 61 5.383 8.477 0.583 1.00 0.00 H new ATOM 0 HB3 HIS A 61 5.377 8.017 -1.108 1.00 0.00 H new ATOM 0 HD2 HIS A 61 5.829 10.182 -2.940 1.00 0.00 H new ATOM 0 HE1 HIS A 61 6.779 13.036 0.020 1.00 0.00 H new ATOM 0 HE2 HIS A 61 6.801 12.590 -2.504 1.00 0.00 H new ATOM 887 N ASP A 62 1.706 9.899 0.814 1.00 0.00 N ATOM 888 CA ASP A 62 1.117 10.613 1.977 1.00 0.00 C ATOM 889 C ASP A 62 0.155 9.668 2.689 1.00 0.00 C ATOM 890 O ASP A 62 -0.775 10.085 3.350 1.00 0.00 O ATOM 891 CB ASP A 62 0.362 11.802 1.380 1.00 0.00 C ATOM 892 CG ASP A 62 -0.858 11.297 0.605 1.00 0.00 C ATOM 893 OD1 ASP A 62 -0.752 10.248 -0.010 1.00 0.00 O ATOM 894 OD2 ASP A 62 -1.876 11.968 0.639 1.00 0.00 O ATOM 0 H ASP A 62 1.051 9.684 0.062 1.00 0.00 H new ATOM 0 HA ASP A 62 1.863 10.944 2.700 1.00 0.00 H new ATOM 0 HB2 ASP A 62 0.047 12.481 2.172 1.00 0.00 H new ATOM 0 HB3 ASP A 62 1.018 12.367 0.718 1.00 0.00 H new ATOM 899 N GLY A 63 0.369 8.389 2.538 1.00 0.00 N ATOM 900 CA GLY A 63 -0.533 7.400 3.184 1.00 0.00 C ATOM 901 C GLY A 63 -1.881 7.420 2.465 1.00 0.00 C ATOM 902 O GLY A 63 -2.914 7.185 3.062 1.00 0.00 O ATOM 0 H GLY A 63 1.132 7.988 1.993 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -0.095 6.403 3.137 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -0.664 7.641 4.239 1.00 0.00 H new ATOM 906 N MET A 64 -1.888 7.706 1.186 1.00 0.00 N ATOM 907 CA MET A 64 -3.185 7.744 0.446 1.00 0.00 C ATOM 908 C MET A 64 -2.996 7.400 -1.034 1.00 0.00 C ATOM 909 O MET A 64 -1.910 7.482 -1.570 1.00 0.00 O ATOM 910 CB MET A 64 -3.678 9.183 0.572 1.00 0.00 C ATOM 911 CG MET A 64 -4.212 9.434 1.978 1.00 0.00 C ATOM 912 SD MET A 64 -4.686 11.172 2.140 1.00 0.00 S ATOM 913 CE MET A 64 -6.441 10.891 2.490 1.00 0.00 C ATOM 0 H MET A 64 -1.060 7.913 0.628 1.00 0.00 H new ATOM 0 HA MET A 64 -3.887 7.017 0.854 1.00 0.00 H new ATOM 0 HB2 MET A 64 -2.864 9.875 0.355 1.00 0.00 H new ATOM 0 HB3 MET A 64 -4.461 9.373 -0.162 1.00 0.00 H new ATOM 0 HG2 MET A 64 -5.071 8.792 2.173 1.00 0.00 H new ATOM 0 HG3 MET A 64 -3.452 9.183 2.718 1.00 0.00 H new ATOM 0 HE1 MET A 64 -6.942 11.849 2.629 1.00 0.00 H new ATOM 0 HE2 MET A 64 -6.898 10.360 1.655 1.00 0.00 H new ATOM 0 HE3 MET A 64 -6.540 10.295 3.397 1.00 0.00 H new ATOM 923 N LEU A 65 -4.060 7.043 -1.703 1.00 0.00 N ATOM 924 CA LEU A 65 -3.964 6.726 -3.157 1.00 0.00 C ATOM 925 C LEU A 65 -4.972 7.578 -3.933 1.00 0.00 C ATOM 926 O LEU A 65 -6.161 7.325 -3.902 1.00 0.00 O ATOM 927 CB LEU A 65 -4.330 5.245 -3.287 1.00 0.00 C ATOM 928 CG LEU A 65 -3.103 4.364 -3.043 1.00 0.00 C ATOM 929 CD1 LEU A 65 -3.424 2.937 -3.488 1.00 0.00 C ATOM 930 CD2 LEU A 65 -1.915 4.887 -3.853 1.00 0.00 C ATOM 0 H LEU A 65 -4.994 6.957 -1.303 1.00 0.00 H new ATOM 0 HA LEU A 65 -2.970 6.931 -3.553 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -5.113 4.994 -2.571 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -4.733 5.050 -4.281 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.848 4.381 -1.983 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.556 2.299 -3.319 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -4.270 2.559 -2.914 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.675 2.934 -4.549 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -1.046 4.254 -3.674 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.163 4.871 -4.914 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.689 5.909 -3.549 1.00 0.00 H new ATOM 942 N ASP A 66 -4.520 8.583 -4.630 1.00 0.00 N ATOM 943 CA ASP A 66 -5.477 9.431 -5.397 1.00 0.00 C ATOM 944 C ASP A 66 -6.060 8.636 -6.563 1.00 0.00 C ATOM 945 O ASP A 66 -5.540 7.609 -6.951 1.00 0.00 O ATOM 946 CB ASP A 66 -4.658 10.602 -5.927 1.00 0.00 C ATOM 947 CG ASP A 66 -5.568 11.815 -6.128 1.00 0.00 C ATOM 948 OD1 ASP A 66 -6.595 11.661 -6.769 1.00 0.00 O ATOM 949 OD2 ASP A 66 -5.221 12.879 -5.639 1.00 0.00 O ATOM 0 H ASP A 66 -3.539 8.853 -4.702 1.00 0.00 H new ATOM 0 HA ASP A 66 -6.307 9.765 -4.775 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.859 10.846 -5.227 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -4.184 10.330 -6.870 1.00 0.00 H new ATOM 954 N ARG A 67 -7.133 9.108 -7.125 1.00 0.00 N ATOM 955 CA ARG A 67 -7.753 8.386 -8.272 1.00 0.00 C ATOM 956 C ARG A 67 -6.671 7.903 -9.239 1.00 0.00 C ATOM 957 O ARG A 67 -6.768 6.839 -9.816 1.00 0.00 O ATOM 958 CB ARG A 67 -8.646 9.420 -8.951 1.00 0.00 C ATOM 959 CG ARG A 67 -7.797 10.610 -9.391 1.00 0.00 C ATOM 960 CD ARG A 67 -8.664 11.868 -9.427 1.00 0.00 C ATOM 961 NE ARG A 67 -8.928 12.111 -10.871 1.00 0.00 N ATOM 962 CZ ARG A 67 -10.147 12.319 -11.284 1.00 0.00 C ATOM 963 NH1 ARG A 67 -10.916 13.157 -10.646 1.00 0.00 N ATOM 964 NH2 ARG A 67 -10.596 11.687 -12.332 1.00 0.00 N ATOM 0 H ARG A 67 -7.610 9.964 -6.841 1.00 0.00 H new ATOM 0 HA ARG A 67 -8.312 7.507 -7.952 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -9.145 8.976 -9.813 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -9.427 9.749 -8.265 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -6.963 10.750 -8.703 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -7.370 10.421 -10.376 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -9.593 11.724 -8.875 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -8.150 12.715 -8.971 1.00 0.00 H new ATOM 0 HE ARG A 67 -8.156 12.115 -11.537 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -10.564 13.649 -9.825 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -11.870 13.321 -10.968 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -9.994 11.030 -12.828 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -11.550 11.849 -12.656 1.00 0.00 H new ATOM 978 N ASP A 68 -5.641 8.680 -9.416 1.00 0.00 N ATOM 979 CA ASP A 68 -4.549 8.271 -10.344 1.00 0.00 C ATOM 980 C ASP A 68 -3.584 7.328 -9.628 1.00 0.00 C ATOM 981 O ASP A 68 -3.041 6.414 -10.218 1.00 0.00 O ATOM 982 CB ASP A 68 -3.844 9.571 -10.729 1.00 0.00 C ATOM 983 CG ASP A 68 -3.856 9.728 -12.251 1.00 0.00 C ATOM 984 OD1 ASP A 68 -3.778 8.718 -12.930 1.00 0.00 O ATOM 985 OD2 ASP A 68 -3.943 10.855 -12.710 1.00 0.00 O ATOM 0 H ASP A 68 -5.507 9.582 -8.958 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.925 7.741 -11.219 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.343 10.420 -10.261 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.818 9.563 -10.362 1.00 0.00 H new ATOM 990 N GLU A 69 -3.375 7.532 -8.359 1.00 0.00 N ATOM 991 CA GLU A 69 -2.455 6.632 -7.610 1.00 0.00 C ATOM 992 C GLU A 69 -3.157 5.300 -7.362 1.00 0.00 C ATOM 993 O GLU A 69 -2.584 4.242 -7.524 1.00 0.00 O ATOM 994 CB GLU A 69 -2.163 7.351 -6.294 1.00 0.00 C ATOM 995 CG GLU A 69 -1.785 8.804 -6.585 1.00 0.00 C ATOM 996 CD GLU A 69 -1.112 9.420 -5.356 1.00 0.00 C ATOM 997 OE1 GLU A 69 -0.441 8.693 -4.643 1.00 0.00 O ATOM 998 OE2 GLU A 69 -1.280 10.611 -5.149 1.00 0.00 O ATOM 0 H GLU A 69 -3.799 8.279 -7.809 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.533 6.422 -8.152 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.037 7.314 -5.644 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.351 6.851 -5.765 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -1.112 8.850 -7.441 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.675 9.375 -6.848 1.00 0.00 H new ATOM 1005 N PHE A 70 -4.407 5.348 -6.993 1.00 0.00 N ATOM 1006 CA PHE A 70 -5.162 4.088 -6.761 1.00 0.00 C ATOM 1007 C PHE A 70 -5.176 3.275 -8.055 1.00 0.00 C ATOM 1008 O PHE A 70 -5.260 2.062 -8.043 1.00 0.00 O ATOM 1009 CB PHE A 70 -6.573 4.541 -6.382 1.00 0.00 C ATOM 1010 CG PHE A 70 -7.331 3.390 -5.766 1.00 0.00 C ATOM 1011 CD1 PHE A 70 -8.079 2.531 -6.579 1.00 0.00 C ATOM 1012 CD2 PHE A 70 -7.289 3.186 -4.382 1.00 0.00 C ATOM 1013 CE1 PHE A 70 -8.785 1.467 -6.007 1.00 0.00 C ATOM 1014 CE2 PHE A 70 -7.996 2.123 -3.811 1.00 0.00 C ATOM 1015 CZ PHE A 70 -8.743 1.264 -4.623 1.00 0.00 C ATOM 0 H PHE A 70 -4.937 6.206 -6.842 1.00 0.00 H new ATOM 0 HA PHE A 70 -4.726 3.459 -5.985 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -6.521 5.372 -5.679 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -7.098 4.903 -7.266 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -8.111 2.689 -7.647 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -6.711 3.849 -3.755 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -9.362 0.803 -6.633 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -7.965 1.966 -2.743 1.00 0.00 H new ATOM 0 HZ PHE A 70 -9.288 0.443 -4.182 1.00 0.00 H new ATOM 1025 N ALA A 71 -5.074 3.943 -9.173 1.00 0.00 N ATOM 1026 CA ALA A 71 -5.058 3.222 -10.477 1.00 0.00 C ATOM 1027 C ALA A 71 -3.725 2.504 -10.635 1.00 0.00 C ATOM 1028 O ALA A 71 -3.664 1.322 -10.909 1.00 0.00 O ATOM 1029 CB ALA A 71 -5.197 4.313 -11.536 1.00 0.00 C ATOM 0 H ALA A 71 -5.001 4.958 -9.239 1.00 0.00 H new ATOM 0 HA ALA A 71 -5.850 2.478 -10.557 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -5.193 3.860 -12.527 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -6.134 4.849 -11.385 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -4.363 5.010 -11.452 1.00 0.00 H new ATOM 1035 N VAL A 72 -2.659 3.220 -10.450 1.00 0.00 N ATOM 1036 CA VAL A 72 -1.316 2.603 -10.571 1.00 0.00 C ATOM 1037 C VAL A 72 -1.219 1.400 -9.629 1.00 0.00 C ATOM 1038 O VAL A 72 -0.468 0.470 -9.859 1.00 0.00 O ATOM 1039 CB VAL A 72 -0.357 3.710 -10.138 1.00 0.00 C ATOM 1040 CG1 VAL A 72 1.046 3.130 -9.956 1.00 0.00 C ATOM 1041 CG2 VAL A 72 -0.336 4.811 -11.205 1.00 0.00 C ATOM 0 H VAL A 72 -2.660 4.213 -10.218 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.096 2.239 -11.575 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.691 4.135 -9.191 1.00 0.00 H new ATOM 0 HG11 VAL A 72 1.729 3.921 -9.647 1.00 0.00 H new ATOM 0 HG12 VAL A 72 1.022 2.352 -9.193 1.00 0.00 H new ATOM 0 HG13 VAL A 72 1.388 2.703 -10.899 1.00 0.00 H new ATOM 0 HG21 VAL A 72 0.348 5.602 -10.898 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -0.003 4.391 -12.154 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -1.338 5.223 -11.322 1.00 0.00 H new ATOM 1051 N ALA A 73 -1.979 1.418 -8.568 1.00 0.00 N ATOM 1052 CA ALA A 73 -1.949 0.291 -7.593 1.00 0.00 C ATOM 1053 C ALA A 73 -2.971 -0.779 -7.972 1.00 0.00 C ATOM 1054 O ALA A 73 -3.064 -1.805 -7.340 1.00 0.00 O ATOM 1055 CB ALA A 73 -2.319 0.928 -6.255 1.00 0.00 C ATOM 0 H ALA A 73 -2.625 2.172 -8.333 1.00 0.00 H new ATOM 0 HA ALA A 73 -0.977 -0.202 -7.566 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -2.321 0.165 -5.477 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -1.590 1.699 -6.005 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -3.310 1.375 -6.327 1.00 0.00 H new ATOM 1061 N MET A 74 -3.741 -0.559 -8.996 1.00 0.00 N ATOM 1062 CA MET A 74 -4.742 -1.592 -9.382 1.00 0.00 C ATOM 1063 C MET A 74 -4.123 -2.565 -10.379 1.00 0.00 C ATOM 1064 O MET A 74 -4.276 -3.765 -10.267 1.00 0.00 O ATOM 1065 CB MET A 74 -5.899 -0.818 -10.013 1.00 0.00 C ATOM 1066 CG MET A 74 -6.735 -0.159 -8.914 1.00 0.00 C ATOM 1067 SD MET A 74 -8.070 -1.280 -8.423 1.00 0.00 S ATOM 1068 CE MET A 74 -7.314 -1.873 -6.891 1.00 0.00 C ATOM 0 H MET A 74 -3.724 0.279 -9.577 1.00 0.00 H new ATOM 0 HA MET A 74 -5.080 -2.184 -8.531 1.00 0.00 H new ATOM 0 HB2 MET A 74 -5.514 -0.060 -10.695 1.00 0.00 H new ATOM 0 HB3 MET A 74 -6.521 -1.491 -10.603 1.00 0.00 H new ATOM 0 HG2 MET A 74 -6.107 0.075 -8.055 1.00 0.00 H new ATOM 0 HG3 MET A 74 -7.149 0.783 -9.272 1.00 0.00 H new ATOM 0 HE1 MET A 74 -8.086 -2.277 -6.237 1.00 0.00 H new ATOM 0 HE2 MET A 74 -6.589 -2.653 -7.121 1.00 0.00 H new ATOM 0 HE3 MET A 74 -6.811 -1.046 -6.390 1.00 0.00 H new ATOM 1078 N PHE A 75 -3.400 -2.066 -11.339 1.00 0.00 N ATOM 1079 CA PHE A 75 -2.754 -2.981 -12.315 1.00 0.00 C ATOM 1080 C PHE A 75 -1.495 -3.561 -11.666 1.00 0.00 C ATOM 1081 O PHE A 75 -0.985 -4.585 -12.072 1.00 0.00 O ATOM 1082 CB PHE A 75 -2.432 -2.121 -13.544 1.00 0.00 C ATOM 1083 CG PHE A 75 -1.109 -1.417 -13.368 1.00 0.00 C ATOM 1084 CD1 PHE A 75 0.086 -2.126 -13.536 1.00 0.00 C ATOM 1085 CD2 PHE A 75 -1.077 -0.058 -13.042 1.00 0.00 C ATOM 1086 CE1 PHE A 75 1.313 -1.475 -13.378 1.00 0.00 C ATOM 1087 CE2 PHE A 75 0.150 0.593 -12.885 1.00 0.00 C ATOM 1088 CZ PHE A 75 1.345 -0.115 -13.053 1.00 0.00 C ATOM 0 H PHE A 75 -3.229 -1.072 -11.489 1.00 0.00 H new ATOM 0 HA PHE A 75 -3.383 -3.821 -12.610 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -2.401 -2.748 -14.435 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -3.223 -1.387 -13.698 1.00 0.00 H new ATOM 0 HD1 PHE A 75 0.060 -3.176 -13.788 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -1.999 0.488 -12.912 1.00 0.00 H new ATOM 0 HE1 PHE A 75 2.235 -2.022 -13.507 1.00 0.00 H new ATOM 0 HE2 PHE A 75 0.176 1.643 -12.634 1.00 0.00 H new ATOM 0 HZ PHE A 75 2.293 0.389 -12.932 1.00 0.00 H new ATOM 1098 N LEU A 76 -1.012 -2.916 -10.635 1.00 0.00 N ATOM 1099 CA LEU A 76 0.191 -3.428 -9.923 1.00 0.00 C ATOM 1100 C LEU A 76 -0.227 -4.571 -8.999 1.00 0.00 C ATOM 1101 O LEU A 76 0.565 -5.420 -8.640 1.00 0.00 O ATOM 1102 CB LEU A 76 0.712 -2.243 -9.112 1.00 0.00 C ATOM 1103 CG LEU A 76 1.949 -1.662 -9.797 1.00 0.00 C ATOM 1104 CD1 LEU A 76 2.411 -0.410 -9.047 1.00 0.00 C ATOM 1105 CD2 LEU A 76 3.069 -2.705 -9.788 1.00 0.00 C ATOM 0 H LEU A 76 -1.403 -2.053 -10.256 1.00 0.00 H new ATOM 0 HA LEU A 76 0.954 -3.811 -10.600 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -0.061 -1.480 -9.025 1.00 0.00 H new ATOM 0 HB3 LEU A 76 0.960 -2.562 -8.100 1.00 0.00 H new ATOM 0 HG LEU A 76 1.704 -1.396 -10.825 1.00 0.00 H new ATOM 0 HD11 LEU A 76 3.293 0.003 -9.537 1.00 0.00 H new ATOM 0 HD12 LEU A 76 1.613 0.332 -9.051 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.657 -0.672 -8.018 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.953 -2.294 -10.276 1.00 0.00 H new ATOM 0 HD22 LEU A 76 3.312 -2.969 -8.759 1.00 0.00 H new ATOM 0 HD23 LEU A 76 2.741 -3.596 -10.323 1.00 0.00 H new ATOM 1117 N VAL A 77 -1.475 -4.597 -8.622 1.00 0.00 N ATOM 1118 CA VAL A 77 -1.966 -5.681 -7.731 1.00 0.00 C ATOM 1119 C VAL A 77 -2.480 -6.845 -8.574 1.00 0.00 C ATOM 1120 O VAL A 77 -2.305 -7.995 -8.227 1.00 0.00 O ATOM 1121 CB VAL A 77 -3.105 -5.044 -6.920 1.00 0.00 C ATOM 1122 CG1 VAL A 77 -4.025 -6.139 -6.368 1.00 0.00 C ATOM 1123 CG2 VAL A 77 -2.514 -4.248 -5.753 1.00 0.00 C ATOM 0 H VAL A 77 -2.178 -3.910 -8.895 1.00 0.00 H new ATOM 0 HA VAL A 77 -1.187 -6.078 -7.081 1.00 0.00 H new ATOM 0 HB VAL A 77 -3.679 -4.381 -7.567 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -4.831 -5.682 -5.794 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.447 -6.710 -7.195 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -3.452 -6.805 -5.722 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -3.320 -3.795 -5.176 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.939 -4.916 -5.111 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.861 -3.466 -6.140 1.00 0.00 H new ATOM 1133 N TYR A 78 -3.108 -6.561 -9.679 1.00 0.00 N ATOM 1134 CA TYR A 78 -3.625 -7.664 -10.533 1.00 0.00 C ATOM 1135 C TYR A 78 -2.495 -8.249 -11.377 1.00 0.00 C ATOM 1136 O TYR A 78 -2.546 -9.390 -11.792 1.00 0.00 O ATOM 1137 CB TYR A 78 -4.697 -7.024 -11.411 1.00 0.00 C ATOM 1138 CG TYR A 78 -6.030 -7.174 -10.725 1.00 0.00 C ATOM 1139 CD1 TYR A 78 -6.417 -8.425 -10.227 1.00 0.00 C ATOM 1140 CD2 TYR A 78 -6.874 -6.069 -10.574 1.00 0.00 C ATOM 1141 CE1 TYR A 78 -7.650 -8.571 -9.580 1.00 0.00 C ATOM 1142 CE2 TYR A 78 -8.107 -6.213 -9.925 1.00 0.00 C ATOM 1143 CZ TYR A 78 -8.494 -7.464 -9.428 1.00 0.00 C ATOM 1144 OH TYR A 78 -9.710 -7.607 -8.789 1.00 0.00 O ATOM 0 H TYR A 78 -3.285 -5.618 -10.026 1.00 0.00 H new ATOM 0 HA TYR A 78 -4.033 -8.487 -9.947 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -4.472 -5.970 -11.575 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -4.719 -7.502 -12.390 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -5.764 -9.277 -10.342 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -6.575 -5.105 -10.958 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -7.950 -9.536 -9.199 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -8.759 -5.360 -9.808 1.00 0.00 H new ATOM 0 HH TYR A 78 -10.172 -6.743 -8.767 1.00 0.00 H new ATOM 1154 N CYS A 79 -1.467 -7.487 -11.621 1.00 0.00 N ATOM 1155 CA CYS A 79 -0.336 -8.020 -12.423 1.00 0.00 C ATOM 1156 C CYS A 79 0.596 -8.816 -11.510 1.00 0.00 C ATOM 1157 O CYS A 79 1.377 -9.630 -11.960 1.00 0.00 O ATOM 1158 CB CYS A 79 0.381 -6.793 -12.986 1.00 0.00 C ATOM 1159 SG CYS A 79 -0.592 -6.095 -14.343 1.00 0.00 S ATOM 0 H CYS A 79 -1.362 -6.524 -11.301 1.00 0.00 H new ATOM 0 HA CYS A 79 -0.666 -8.685 -13.221 1.00 0.00 H new ATOM 0 HB2 CYS A 79 0.519 -6.048 -12.203 1.00 0.00 H new ATOM 0 HB3 CYS A 79 1.374 -7.070 -13.341 1.00 0.00 H new ATOM 0 HG CYS A 79 -1.243 -5.052 -13.919 1.00 0.00 H new ATOM 1165 N ALA A 80 0.504 -8.600 -10.226 1.00 0.00 N ATOM 1166 CA ALA A 80 1.370 -9.360 -9.291 1.00 0.00 C ATOM 1167 C ALA A 80 0.804 -10.768 -9.129 1.00 0.00 C ATOM 1168 O ALA A 80 1.460 -11.668 -8.647 1.00 0.00 O ATOM 1169 CB ALA A 80 1.307 -8.592 -7.969 1.00 0.00 C ATOM 0 H ALA A 80 -0.131 -7.932 -9.789 1.00 0.00 H new ATOM 0 HA ALA A 80 2.398 -9.454 -9.642 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.925 -9.096 -7.226 1.00 0.00 H new ATOM 0 HB2 ALA A 80 1.675 -7.577 -8.120 1.00 0.00 H new ATOM 0 HB3 ALA A 80 0.276 -8.555 -7.618 1.00 0.00 H new ATOM 1521 N ASN B 109 2.876 3.802 3.958 1.00 0.00 N ATOM 1522 CA ASN B 109 2.714 2.412 3.444 1.00 0.00 C ATOM 1523 C ASN B 109 1.990 1.543 4.480 1.00 0.00 C ATOM 1524 O ASN B 109 2.488 1.330 5.567 1.00 0.00 O ATOM 1525 CB ASN B 109 4.141 1.913 3.228 1.00 0.00 C ATOM 1526 CG ASN B 109 4.119 0.653 2.362 1.00 0.00 C ATOM 1527 OD1 ASN B 109 3.133 -0.057 2.326 1.00 0.00 O ATOM 1528 ND2 ASN B 109 5.170 0.344 1.653 1.00 0.00 N ATOM 0 HA ASN B 109 2.120 2.371 2.531 1.00 0.00 H new ATOM 0 HB2 ASN B 109 4.739 2.687 2.746 1.00 0.00 H new ATOM 0 HB3 ASN B 109 4.611 1.699 4.188 1.00 0.00 H new ATOM 0 HD21 ASN B 109 5.164 -0.493 1.069 1.00 0.00 H new ATOM 0 HD22 ASN B 109 5.998 0.939 1.682 1.00 0.00 H new ATOM 1535 N PRO B 110 0.826 1.076 4.105 1.00 0.00 N ATOM 1536 CA PRO B 110 0.018 0.227 5.013 1.00 0.00 C ATOM 1537 C PRO B 110 0.507 -1.229 4.997 1.00 0.00 C ATOM 1538 O PRO B 110 -0.194 -2.128 5.417 1.00 0.00 O ATOM 1539 CB PRO B 110 -1.387 0.326 4.428 1.00 0.00 C ATOM 1540 CG PRO B 110 -1.196 0.654 2.977 1.00 0.00 C ATOM 1541 CD PRO B 110 0.160 1.298 2.818 1.00 0.00 C ATOM 0 HA PRO B 110 0.078 0.548 6.053 1.00 0.00 H new ATOM 0 HB2 PRO B 110 -1.930 -0.611 4.550 1.00 0.00 H new ATOM 0 HB3 PRO B 110 -1.968 1.099 4.932 1.00 0.00 H new ATOM 0 HG2 PRO B 110 -1.262 -0.249 2.370 1.00 0.00 H new ATOM 0 HG3 PRO B 110 -1.980 1.328 2.632 1.00 0.00 H new ATOM 0 HD2 PRO B 110 0.720 0.847 1.999 1.00 0.00 H new ATOM 0 HD3 PRO B 110 0.071 2.361 2.596 1.00 0.00 H new ATOM 1549 N PHE B 111 1.699 -1.474 4.522 1.00 0.00 N ATOM 1550 CA PHE B 111 2.213 -2.876 4.490 1.00 0.00 C ATOM 1551 C PHE B 111 3.693 -2.908 4.883 1.00 0.00 C ATOM 1552 O PHE B 111 4.452 -3.736 4.419 1.00 0.00 O ATOM 1553 CB PHE B 111 2.025 -3.335 3.042 1.00 0.00 C ATOM 1554 CG PHE B 111 0.553 -3.510 2.757 1.00 0.00 C ATOM 1555 CD1 PHE B 111 -0.155 -4.561 3.352 1.00 0.00 C ATOM 1556 CD2 PHE B 111 -0.104 -2.621 1.898 1.00 0.00 C ATOM 1557 CE1 PHE B 111 -1.519 -4.721 3.089 1.00 0.00 C ATOM 1558 CE2 PHE B 111 -1.468 -2.782 1.635 1.00 0.00 C ATOM 1559 CZ PHE B 111 -2.176 -3.833 2.230 1.00 0.00 C ATOM 0 H PHE B 111 2.337 -0.768 4.156 1.00 0.00 H new ATOM 0 HA PHE B 111 1.689 -3.525 5.192 1.00 0.00 H new ATOM 0 HB2 PHE B 111 2.454 -2.602 2.358 1.00 0.00 H new ATOM 0 HB3 PHE B 111 2.553 -4.274 2.875 1.00 0.00 H new ATOM 0 HD1 PHE B 111 0.352 -5.248 4.014 1.00 0.00 H new ATOM 0 HD2 PHE B 111 0.443 -1.811 1.438 1.00 0.00 H new ATOM 0 HE1 PHE B 111 -2.066 -5.531 3.549 1.00 0.00 H new ATOM 0 HE2 PHE B 111 -1.975 -2.096 0.973 1.00 0.00 H new ATOM 0 HZ PHE B 111 -3.229 -3.958 2.026 1.00 0.00 H new