USER MOD reduce.3.24.130724 H: found=0, std=0, add=660, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 649 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 69 CYS SG : rot 156:sc= 0.254 USER MOD Set 1.2: A 72 CYS SG : rot -40:sc= -0.432 USER MOD Set 1.3: A 91 HIS : no HE2:sc= -0.803 K(o=-1.5,f=-6.8!) USER MOD Set 1.4: A 94 CYS SG : rot 39:sc= -0.543 USER MOD Set 2.1: A 36 CYS SG : rot 150:sc= -0.454 USER MOD Set 2.2: A 39 CYS SG : rot -59:sc= 0.569 USER MOD Set 2.3: A 57 CYS SG : rot -129:sc= -0.419 USER MOD Set 2.4: A 60 CYS SG : rot 147:sc= -1.12 USER MOD Set 3.1: A 24 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 25 LYS NZ :NH3+ -165:sc= 0.394 (180deg=0.313) USER MOD Set 4.1: A 8 CYS SG : rot -149:sc= -0.281 USER MOD Set 4.2: A 11 CYS SG : rot 180:sc= -1.37 USER MOD Set 4.3: A 30 HIS : no HE2:sc= -3.05! C(o=-7.4!,f=-14!) USER MOD Set 4.4: A 33 CYS SG : rot -71:sc= -2.67! USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot -68:sc= 0.136 USER MOD Single : A 20 LYS NZ :NH3+ -171:sc= -1.09 (180deg=-1.37) USER MOD Single : A 23 HIS : no HE2:sc= -1.05 K(o=-1.1,f=-0.46) USER MOD Single : A 26 ASN : amide:sc= -1.07 K(o=-1.1,f=-4.6!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 HIS : no HD1:sc= -2.41 K(o=-2.4,f=-1.3) USER MOD Single : A 45 ASN : amide:sc=-0.00253 X(o=-0.0025,f=-0.0025) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -152:sc=-0.00657 (180deg=-0.514) USER MOD Single : A 53 ASN : amide:sc= -0.0503 K(o=-0.05,f=-1.7) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= 0.752 K(o=0.75,f=-3.8!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot -17:sc= -0.221 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= -1.42 K(o=-1.4,f=-0.73) USER MOD Single : A 82 ASN : amide:sc= -0.375 X(o=-0.37,f=-0.013) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ -152:sc= -0.0015 (180deg=-0.0699) USER MOD Single : A 88 THR OG1 : rot 40:sc= 0.0537 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -4.821 17.746 -12.537 1.00 0.00 N ATOM 60 CA GLY A 7 -5.272 17.145 -11.295 1.00 0.00 C ATOM 61 C GLY A 7 -4.874 15.687 -11.180 1.00 0.00 C ATOM 62 O GLY A 7 -4.110 15.177 -11.999 1.00 0.00 O ATOM 0 HA2 GLY A 7 -4.856 17.700 -10.454 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.357 17.229 -11.227 1.00 0.00 H new ATOM 66 N CYS A 8 -5.392 15.013 -10.158 1.00 0.00 N ATOM 67 CA CYS A 8 -5.086 13.605 -9.935 1.00 0.00 C ATOM 68 C CYS A 8 -6.292 12.728 -10.257 1.00 0.00 C ATOM 69 O CYS A 8 -7.436 13.116 -10.019 1.00 0.00 O ATOM 70 CB CYS A 8 -4.649 13.380 -8.487 1.00 0.00 C ATOM 71 SG CYS A 8 -3.885 11.754 -8.185 1.00 0.00 S ATOM 0 H CYS A 8 -6.026 15.420 -9.471 1.00 0.00 H new ATOM 0 HA CYS A 8 -4.269 13.327 -10.601 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -3.941 14.160 -8.207 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -5.516 13.489 -7.836 1.00 0.00 H new ATOM 0 HG CYS A 8 -4.145 11.371 -6.970 1.00 0.00 H new ATOM 76 N VAL A 9 -6.028 11.544 -10.800 1.00 0.00 N ATOM 77 CA VAL A 9 -7.091 10.611 -11.153 1.00 0.00 C ATOM 78 C VAL A 9 -7.329 9.601 -10.036 1.00 0.00 C ATOM 79 O VAL A 9 -8.223 8.760 -10.127 1.00 0.00 O ATOM 80 CB VAL A 9 -6.765 9.854 -12.454 1.00 0.00 C ATOM 81 CG1 VAL A 9 -6.510 10.832 -13.591 1.00 0.00 C ATOM 82 CG2 VAL A 9 -5.568 8.937 -12.250 1.00 0.00 C ATOM 0 H VAL A 9 -5.087 11.208 -11.005 1.00 0.00 H new ATOM 0 HA VAL A 9 -7.994 11.203 -11.303 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.624 9.239 -12.722 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -6.281 10.279 -14.502 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -7.398 11.444 -13.751 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -5.668 11.475 -13.336 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.351 8.410 -13.179 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.701 9.530 -11.958 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -5.793 8.214 -11.466 1.00 0.00 H new ATOM 92 N GLU A 10 -6.523 9.690 -8.983 1.00 0.00 N ATOM 93 CA GLU A 10 -6.646 8.783 -7.848 1.00 0.00 C ATOM 94 C GLU A 10 -7.553 9.376 -6.773 1.00 0.00 C ATOM 95 O GLU A 10 -8.538 8.759 -6.367 1.00 0.00 O ATOM 96 CB GLU A 10 -5.268 8.479 -7.257 1.00 0.00 C ATOM 97 CG GLU A 10 -5.162 7.094 -6.641 1.00 0.00 C ATOM 98 CD GLU A 10 -5.729 7.036 -5.236 1.00 0.00 C ATOM 99 OE1 GLU A 10 -6.968 7.110 -5.092 1.00 0.00 O ATOM 100 OE2 GLU A 10 -4.935 6.916 -4.280 1.00 0.00 O ATOM 0 H GLU A 10 -5.778 10.381 -8.892 1.00 0.00 H new ATOM 0 HA GLU A 10 -7.093 7.855 -8.205 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -4.516 8.578 -8.040 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -5.036 9.224 -6.496 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -5.690 6.379 -7.272 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -4.116 6.789 -6.620 1.00 0.00 H new ATOM 107 N CYS A 11 -7.213 10.576 -6.317 1.00 0.00 N ATOM 108 CA CYS A 11 -7.993 11.253 -5.289 1.00 0.00 C ATOM 109 C CYS A 11 -8.786 12.414 -5.884 1.00 0.00 C ATOM 110 O CYS A 11 -9.321 13.251 -5.157 1.00 0.00 O ATOM 111 CB CYS A 11 -7.076 11.765 -4.176 1.00 0.00 C ATOM 112 SG CYS A 11 -5.662 12.748 -4.772 1.00 0.00 S ATOM 0 H CYS A 11 -6.401 11.100 -6.644 1.00 0.00 H new ATOM 0 HA CYS A 11 -8.695 10.533 -4.869 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -7.663 12.373 -3.487 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -6.700 10.913 -3.609 1.00 0.00 H new ATOM 0 HG CYS A 11 -4.947 13.138 -3.759 1.00 0.00 H new ATOM 117 N ARG A 12 -8.856 12.456 -7.210 1.00 0.00 N ATOM 118 CA ARG A 12 -9.581 13.514 -7.904 1.00 0.00 C ATOM 119 C ARG A 12 -9.253 14.880 -7.307 1.00 0.00 C ATOM 120 O ARG A 12 -10.112 15.759 -7.231 1.00 0.00 O ATOM 121 CB ARG A 12 -11.088 13.262 -7.829 1.00 0.00 C ATOM 122 CG ARG A 12 -11.629 12.449 -8.994 1.00 0.00 C ATOM 123 CD ARG A 12 -11.006 11.062 -9.042 1.00 0.00 C ATOM 124 NE ARG A 12 -11.636 10.214 -10.051 1.00 0.00 N ATOM 125 CZ ARG A 12 -12.770 9.551 -9.849 1.00 0.00 C ATOM 126 NH1 ARG A 12 -13.394 9.638 -8.683 1.00 0.00 N ATOM 127 NH2 ARG A 12 -13.281 8.800 -10.816 1.00 0.00 N ATOM 0 H ARG A 12 -8.420 11.770 -7.826 1.00 0.00 H new ATOM 0 HA ARG A 12 -9.270 13.509 -8.949 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -11.315 12.742 -6.898 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -11.607 14.220 -7.794 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -12.712 12.360 -8.905 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -11.428 12.972 -9.929 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -9.941 11.150 -9.256 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -11.096 10.590 -8.064 1.00 0.00 H new ATOM 0 HE ARG A 12 -11.181 10.126 -10.960 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -13.004 10.215 -7.938 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -14.264 9.128 -8.531 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -12.804 8.731 -11.715 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -14.151 8.291 -10.661 1.00 0.00 H new ATOM 141 N LYS A 13 -8.005 15.050 -6.884 1.00 0.00 N ATOM 142 CA LYS A 13 -7.562 16.308 -6.295 1.00 0.00 C ATOM 143 C LYS A 13 -6.541 17.000 -7.192 1.00 0.00 C ATOM 144 O LYS A 13 -5.853 16.366 -7.994 1.00 0.00 O ATOM 145 CB LYS A 13 -6.956 16.061 -4.911 1.00 0.00 C ATOM 146 CG LYS A 13 -7.984 15.705 -3.852 1.00 0.00 C ATOM 147 CD LYS A 13 -8.480 16.940 -3.118 1.00 0.00 C ATOM 148 CE LYS A 13 -9.226 16.570 -1.845 1.00 0.00 C ATOM 149 NZ LYS A 13 -10.252 17.589 -1.488 1.00 0.00 N ATOM 0 H LYS A 13 -7.282 14.332 -6.938 1.00 0.00 H new ATOM 0 HA LYS A 13 -8.431 16.959 -6.194 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -6.226 15.255 -4.982 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -6.416 16.954 -4.596 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -8.827 15.195 -4.319 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -7.546 15.008 -3.138 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -7.634 17.582 -2.872 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -9.137 17.514 -3.772 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -9.707 15.600 -1.974 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -8.516 16.467 -1.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -10.738 17.301 -0.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -9.790 18.509 -1.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -10.944 17.670 -2.260 1.00 0.00 H new ATOM 163 N PRO A 14 -6.437 18.330 -7.056 1.00 0.00 N ATOM 164 CA PRO A 14 -5.501 19.136 -7.846 1.00 0.00 C ATOM 165 C PRO A 14 -4.048 18.884 -7.456 1.00 0.00 C ATOM 166 O PRO A 14 -3.731 18.719 -6.278 1.00 0.00 O ATOM 167 CB PRO A 14 -5.902 20.575 -7.512 1.00 0.00 C ATOM 168 CG PRO A 14 -6.540 20.488 -6.169 1.00 0.00 C ATOM 169 CD PRO A 14 -7.225 19.150 -6.121 1.00 0.00 C ATOM 0 HA PRO A 14 -5.556 18.900 -8.909 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -5.034 21.234 -7.496 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -6.593 20.976 -8.254 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -5.796 20.574 -5.377 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -7.255 21.298 -6.024 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -7.218 18.731 -5.115 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -8.268 19.221 -6.430 1.00 0.00 H new ATOM 177 N ILE A 15 -3.170 18.855 -8.453 1.00 0.00 N ATOM 178 CA ILE A 15 -1.750 18.625 -8.213 1.00 0.00 C ATOM 179 C ILE A 15 -0.955 19.920 -8.335 1.00 0.00 C ATOM 180 O ILE A 15 -1.038 20.619 -9.344 1.00 0.00 O ATOM 181 CB ILE A 15 -1.174 17.587 -9.195 1.00 0.00 C ATOM 182 CG1 ILE A 15 -1.970 16.283 -9.117 1.00 0.00 C ATOM 183 CG2 ILE A 15 0.296 17.335 -8.897 1.00 0.00 C ATOM 184 CD1 ILE A 15 -1.632 15.302 -10.218 1.00 0.00 C ATOM 0 H ILE A 15 -3.416 18.988 -9.434 1.00 0.00 H new ATOM 0 HA ILE A 15 -1.660 18.241 -7.197 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.257 17.981 -10.208 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.785 15.811 -8.152 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.034 16.513 -9.161 1.00 0.00 H new ATOM 0 HG21 ILE A 15 0.689 16.599 -9.599 1.00 0.00 H new ATOM 0 HG22 ILE A 15 0.853 18.267 -8.998 1.00 0.00 H new ATOM 0 HG23 ILE A 15 0.402 16.958 -7.880 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.234 14.401 -10.100 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.843 15.755 -11.187 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.575 15.042 -10.162 1.00 0.00 H new ATOM 196 N GLY A 16 -0.181 20.233 -7.300 1.00 0.00 N ATOM 197 CA GLY A 16 0.620 21.443 -7.312 1.00 0.00 C ATOM 198 C GLY A 16 1.854 21.313 -8.183 1.00 0.00 C ATOM 199 O GLY A 16 2.132 20.242 -8.720 1.00 0.00 O ATOM 0 H GLY A 16 -0.095 19.670 -6.454 1.00 0.00 H new ATOM 0 HA2 GLY A 16 0.012 22.274 -7.670 1.00 0.00 H new ATOM 0 HA3 GLY A 16 0.922 21.685 -6.293 1.00 0.00 H new ATOM 203 N ALA A 17 2.594 22.408 -8.325 1.00 0.00 N ATOM 204 CA ALA A 17 3.804 22.411 -9.137 1.00 0.00 C ATOM 205 C ALA A 17 4.985 21.834 -8.364 1.00 0.00 C ATOM 206 O ALA A 17 5.762 21.043 -8.898 1.00 0.00 O ATOM 207 CB ALA A 17 4.119 23.823 -9.609 1.00 0.00 C ATOM 0 H ALA A 17 2.376 23.304 -7.888 1.00 0.00 H new ATOM 0 HA ALA A 17 3.629 21.779 -10.008 1.00 0.00 H new ATOM 0 HB1 ALA A 17 5.025 23.811 -10.214 1.00 0.00 H new ATOM 0 HB2 ALA A 17 3.289 24.201 -10.206 1.00 0.00 H new ATOM 0 HB3 ALA A 17 4.269 24.471 -8.745 1.00 0.00 H new ATOM 213 N ASP A 18 5.115 22.236 -7.104 1.00 0.00 N ATOM 214 CA ASP A 18 6.202 21.759 -6.257 1.00 0.00 C ATOM 215 C ASP A 18 6.093 20.254 -6.031 1.00 0.00 C ATOM 216 O ASP A 18 7.103 19.559 -5.912 1.00 0.00 O ATOM 217 CB ASP A 18 6.190 22.491 -4.915 1.00 0.00 C ATOM 218 CG ASP A 18 6.947 21.738 -3.838 1.00 0.00 C ATOM 219 OD1 ASP A 18 6.435 20.700 -3.368 1.00 0.00 O ATOM 220 OD2 ASP A 18 8.051 22.186 -3.466 1.00 0.00 O ATOM 0 H ASP A 18 4.481 22.891 -6.647 1.00 0.00 H new ATOM 0 HA ASP A 18 7.144 21.965 -6.765 1.00 0.00 H new ATOM 0 HB2 ASP A 18 6.630 23.480 -5.040 1.00 0.00 H new ATOM 0 HB3 ASP A 18 5.159 22.639 -4.594 1.00 0.00 H new ATOM 225 N SER A 19 4.862 19.757 -5.971 1.00 0.00 N ATOM 226 CA SER A 19 4.621 18.335 -5.753 1.00 0.00 C ATOM 227 C SER A 19 5.073 17.517 -6.959 1.00 0.00 C ATOM 228 O SER A 19 4.882 17.922 -8.106 1.00 0.00 O ATOM 229 CB SER A 19 3.137 18.084 -5.479 1.00 0.00 C ATOM 230 OG SER A 19 2.425 17.868 -6.685 1.00 0.00 O ATOM 0 H SER A 19 4.016 20.318 -6.070 1.00 0.00 H new ATOM 0 HA SER A 19 5.201 18.022 -4.885 1.00 0.00 H new ATOM 0 HB2 SER A 19 3.026 17.217 -4.827 1.00 0.00 H new ATOM 0 HB3 SER A 19 2.712 18.937 -4.950 1.00 0.00 H new ATOM 0 HG SER A 19 2.403 18.698 -7.205 1.00 0.00 H new ATOM 236 N LYS A 20 5.674 16.363 -6.691 1.00 0.00 N ATOM 237 CA LYS A 20 6.154 15.485 -7.752 1.00 0.00 C ATOM 238 C LYS A 20 5.012 14.652 -8.327 1.00 0.00 C ATOM 239 O LYS A 20 4.570 13.682 -7.712 1.00 0.00 O ATOM 240 CB LYS A 20 7.254 14.564 -7.222 1.00 0.00 C ATOM 241 CG LYS A 20 8.577 15.271 -6.984 1.00 0.00 C ATOM 242 CD LYS A 20 8.691 15.775 -5.555 1.00 0.00 C ATOM 243 CE LYS A 20 9.299 14.723 -4.640 1.00 0.00 C ATOM 244 NZ LYS A 20 8.455 13.498 -4.566 1.00 0.00 N ATOM 0 H LYS A 20 5.841 16.013 -5.747 1.00 0.00 H new ATOM 0 HA LYS A 20 6.563 16.108 -8.548 1.00 0.00 H new ATOM 0 HB2 LYS A 20 6.920 14.113 -6.288 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.409 13.751 -7.931 1.00 0.00 H new ATOM 0 HG2 LYS A 20 9.399 14.588 -7.196 1.00 0.00 H new ATOM 0 HG3 LYS A 20 8.672 16.109 -7.675 1.00 0.00 H new ATOM 0 HD2 LYS A 20 9.304 16.676 -5.534 1.00 0.00 H new ATOM 0 HD3 LYS A 20 7.704 16.053 -5.186 1.00 0.00 H new ATOM 0 HE2 LYS A 20 10.293 14.458 -5.001 1.00 0.00 H new ATOM 0 HE3 LYS A 20 9.424 15.139 -3.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 8.819 12.870 -3.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 7.474 13.765 -4.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 8.481 13.003 -5.480 1.00 0.00 H new ATOM 258 N GLU A 21 4.540 15.038 -9.508 1.00 0.00 N ATOM 259 CA GLU A 21 3.450 14.325 -10.165 1.00 0.00 C ATOM 260 C GLU A 21 3.987 13.360 -11.217 1.00 0.00 C ATOM 261 O GLU A 21 5.129 13.481 -11.662 1.00 0.00 O ATOM 262 CB GLU A 21 2.481 15.316 -10.813 1.00 0.00 C ATOM 263 CG GLU A 21 2.961 15.850 -12.151 1.00 0.00 C ATOM 264 CD GLU A 21 2.333 17.184 -12.507 1.00 0.00 C ATOM 265 OE1 GLU A 21 2.278 18.068 -11.626 1.00 0.00 O ATOM 266 OE2 GLU A 21 1.896 17.343 -13.666 1.00 0.00 O ATOM 0 H GLU A 21 4.895 15.840 -10.029 1.00 0.00 H new ATOM 0 HA GLU A 21 2.918 13.749 -9.408 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.515 14.830 -10.951 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.322 16.153 -10.133 1.00 0.00 H new ATOM 0 HG2 GLU A 21 4.045 15.958 -12.127 1.00 0.00 H new ATOM 0 HG3 GLU A 21 2.730 15.125 -12.931 1.00 0.00 H new ATOM 273 N VAL A 22 3.156 12.400 -11.610 1.00 0.00 N ATOM 274 CA VAL A 22 3.546 11.413 -12.611 1.00 0.00 C ATOM 275 C VAL A 22 2.572 11.406 -13.784 1.00 0.00 C ATOM 276 O VAL A 22 1.447 10.918 -13.667 1.00 0.00 O ATOM 277 CB VAL A 22 3.616 9.998 -12.006 1.00 0.00 C ATOM 278 CG1 VAL A 22 4.062 8.991 -13.055 1.00 0.00 C ATOM 279 CG2 VAL A 22 4.549 9.978 -10.805 1.00 0.00 C ATOM 0 H VAL A 22 2.208 12.284 -11.251 1.00 0.00 H new ATOM 0 HA VAL A 22 4.536 11.697 -12.967 1.00 0.00 H new ATOM 0 HB VAL A 22 2.619 9.716 -11.667 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.106 7.997 -12.610 1.00 0.00 H new ATOM 0 HG12 VAL A 22 3.351 8.987 -13.881 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.049 9.266 -13.427 1.00 0.00 H new ATOM 0 HG21 VAL A 22 4.586 8.971 -10.390 1.00 0.00 H new ATOM 0 HG22 VAL A 22 5.549 10.280 -11.116 1.00 0.00 H new ATOM 0 HG23 VAL A 22 4.181 10.669 -10.047 1.00 0.00 H new ATOM 289 N HIS A 23 3.012 11.949 -14.914 1.00 0.00 N ATOM 290 CA HIS A 23 2.179 12.003 -16.111 1.00 0.00 C ATOM 291 C HIS A 23 2.396 10.769 -16.981 1.00 0.00 C ATOM 292 O HIS A 23 3.514 10.494 -17.417 1.00 0.00 O ATOM 293 CB HIS A 23 2.485 13.268 -16.913 1.00 0.00 C ATOM 294 CG HIS A 23 1.922 13.248 -18.301 1.00 0.00 C ATOM 295 ND1 HIS A 23 2.530 13.873 -19.369 1.00 0.00 N ATOM 296 CD2 HIS A 23 0.801 12.671 -18.793 1.00 0.00 C ATOM 297 CE1 HIS A 23 1.806 13.683 -20.458 1.00 0.00 C ATOM 298 NE2 HIS A 23 0.751 12.956 -20.136 1.00 0.00 N ATOM 0 H HIS A 23 3.940 12.358 -15.027 1.00 0.00 H new ATOM 0 HA HIS A 23 1.135 12.024 -15.797 1.00 0.00 H new ATOM 0 HB2 HIS A 23 2.086 14.131 -16.380 1.00 0.00 H new ATOM 0 HB3 HIS A 23 3.566 13.400 -16.970 1.00 0.00 H new ATOM 0 HD1 HIS A 23 3.402 14.400 -19.325 1.00 0.00 H new ATOM 0 HD2 HIS A 23 0.080 12.094 -18.234 1.00 0.00 H new ATOM 0 HE1 HIS A 23 2.037 14.058 -21.444 1.00 0.00 H new ATOM 307 N TYR A 24 1.321 10.029 -17.228 1.00 0.00 N ATOM 308 CA TYR A 24 1.395 8.823 -18.044 1.00 0.00 C ATOM 309 C TYR A 24 0.058 8.541 -18.723 1.00 0.00 C ATOM 310 O TYR A 24 -0.991 8.543 -18.079 1.00 0.00 O ATOM 311 CB TYR A 24 1.805 7.626 -17.184 1.00 0.00 C ATOM 312 CG TYR A 24 2.299 6.444 -17.988 1.00 0.00 C ATOM 313 CD1 TYR A 24 3.463 6.530 -18.742 1.00 0.00 C ATOM 314 CD2 TYR A 24 1.602 5.243 -17.995 1.00 0.00 C ATOM 315 CE1 TYR A 24 3.918 5.453 -19.479 1.00 0.00 C ATOM 316 CE2 TYR A 24 2.050 4.161 -18.727 1.00 0.00 C ATOM 317 CZ TYR A 24 3.209 4.271 -19.468 1.00 0.00 C ATOM 318 OH TYR A 24 3.658 3.196 -20.200 1.00 0.00 O ATOM 0 H TYR A 24 0.388 10.243 -16.875 1.00 0.00 H new ATOM 0 HA TYR A 24 2.147 8.983 -18.816 1.00 0.00 H new ATOM 0 HB2 TYR A 24 2.588 7.937 -16.493 1.00 0.00 H new ATOM 0 HB3 TYR A 24 0.953 7.314 -16.581 1.00 0.00 H new ATOM 0 HD1 TYR A 24 4.022 7.454 -18.752 1.00 0.00 H new ATOM 0 HD2 TYR A 24 0.694 5.153 -17.418 1.00 0.00 H new ATOM 0 HE1 TYR A 24 4.824 5.537 -20.060 1.00 0.00 H new ATOM 0 HE2 TYR A 24 1.496 3.234 -18.720 1.00 0.00 H new ATOM 0 HH TYR A 24 3.044 2.441 -20.083 1.00 0.00 H new ATOM 328 N LYS A 25 0.105 8.300 -20.029 1.00 0.00 N ATOM 329 CA LYS A 25 -1.100 8.014 -20.798 1.00 0.00 C ATOM 330 C LYS A 25 -2.130 9.127 -20.630 1.00 0.00 C ATOM 331 O LYS A 25 -3.310 8.865 -20.403 1.00 0.00 O ATOM 332 CB LYS A 25 -1.704 6.677 -20.362 1.00 0.00 C ATOM 333 CG LYS A 25 -0.726 5.517 -20.430 1.00 0.00 C ATOM 334 CD LYS A 25 -0.718 4.875 -21.807 1.00 0.00 C ATOM 335 CE LYS A 25 0.361 5.476 -22.696 1.00 0.00 C ATOM 336 NZ LYS A 25 1.701 4.891 -22.414 1.00 0.00 N ATOM 0 H LYS A 25 0.965 8.297 -20.577 1.00 0.00 H new ATOM 0 HA LYS A 25 -0.823 7.955 -21.850 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -2.073 6.771 -19.341 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.564 6.453 -20.993 1.00 0.00 H new ATOM 0 HG2 LYS A 25 0.276 5.870 -20.186 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.992 4.771 -19.681 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -0.554 3.802 -21.708 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -1.693 5.006 -22.277 1.00 0.00 H new ATOM 0 HE2 LYS A 25 0.105 5.309 -23.742 1.00 0.00 H new ATOM 0 HE3 LYS A 25 0.397 6.555 -22.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 2.437 5.487 -22.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 1.850 4.843 -21.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 1.753 3.933 -22.816 1.00 0.00 H new ATOM 350 N ASN A 26 -1.674 10.371 -20.744 1.00 0.00 N ATOM 351 CA ASN A 26 -2.556 11.524 -20.605 1.00 0.00 C ATOM 352 C ASN A 26 -3.220 11.539 -19.231 1.00 0.00 C ATOM 353 O ASN A 26 -4.381 11.926 -19.096 1.00 0.00 O ATOM 354 CB ASN A 26 -3.624 11.510 -21.700 1.00 0.00 C ATOM 355 CG ASN A 26 -3.074 11.055 -23.039 1.00 0.00 C ATOM 356 OD1 ASN A 26 -2.792 9.874 -23.237 1.00 0.00 O ATOM 357 ND2 ASN A 26 -2.920 11.995 -23.964 1.00 0.00 N ATOM 0 H ASN A 26 -0.699 10.606 -20.932 1.00 0.00 H new ATOM 0 HA ASN A 26 -1.953 12.426 -20.707 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -4.438 10.849 -21.401 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -4.046 12.509 -21.804 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -2.554 11.750 -24.884 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -3.168 12.962 -23.754 1.00 0.00 H new ATOM 364 N ARG A 27 -2.475 11.116 -18.216 1.00 0.00 N ATOM 365 CA ARG A 27 -2.991 11.080 -16.853 1.00 0.00 C ATOM 366 C ARG A 27 -2.002 11.715 -15.880 1.00 0.00 C ATOM 367 O ARG A 27 -0.949 12.210 -16.283 1.00 0.00 O ATOM 368 CB ARG A 27 -3.281 9.638 -16.432 1.00 0.00 C ATOM 369 CG ARG A 27 -4.320 8.948 -17.300 1.00 0.00 C ATOM 370 CD ARG A 27 -5.730 9.199 -16.788 1.00 0.00 C ATOM 371 NE ARG A 27 -6.176 8.148 -15.877 1.00 0.00 N ATOM 372 CZ ARG A 27 -6.738 7.014 -16.282 1.00 0.00 C ATOM 373 NH1 ARG A 27 -6.920 6.786 -17.576 1.00 0.00 N ATOM 374 NH2 ARG A 27 -7.117 6.105 -15.393 1.00 0.00 N ATOM 0 H ARG A 27 -1.512 10.793 -18.311 1.00 0.00 H new ATOM 0 HA ARG A 27 -3.918 11.652 -16.828 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -2.354 9.065 -16.465 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -3.623 9.632 -15.397 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -4.235 9.307 -18.326 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -4.125 7.876 -17.320 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -5.764 10.161 -16.276 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -6.416 9.262 -17.632 1.00 0.00 H new ATOM 0 HE ARG A 27 -6.049 8.292 -14.875 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -6.628 7.482 -18.262 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -7.352 5.915 -17.885 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -6.977 6.276 -14.397 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -7.548 5.235 -15.705 1.00 0.00 H new ATOM 388 N PHE A 28 -2.348 11.699 -14.597 1.00 0.00 N ATOM 389 CA PHE A 28 -1.492 12.275 -13.566 1.00 0.00 C ATOM 390 C PHE A 28 -1.829 11.698 -12.194 1.00 0.00 C ATOM 391 O PHE A 28 -2.982 11.729 -11.763 1.00 0.00 O ATOM 392 CB PHE A 28 -1.640 13.798 -13.543 1.00 0.00 C ATOM 393 CG PHE A 28 -1.616 14.423 -14.908 1.00 0.00 C ATOM 394 CD1 PHE A 28 -2.782 14.558 -15.644 1.00 0.00 C ATOM 395 CD2 PHE A 28 -0.427 14.878 -15.456 1.00 0.00 C ATOM 396 CE1 PHE A 28 -2.763 15.133 -16.900 1.00 0.00 C ATOM 397 CE2 PHE A 28 -0.401 15.454 -16.712 1.00 0.00 C ATOM 398 CZ PHE A 28 -1.571 15.582 -17.435 1.00 0.00 C ATOM 0 H PHE A 28 -3.216 11.293 -14.246 1.00 0.00 H new ATOM 0 HA PHE A 28 -0.459 12.021 -13.803 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -2.577 14.057 -13.050 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -0.836 14.224 -12.943 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -3.717 14.210 -15.231 1.00 0.00 H new ATOM 0 HD2 PHE A 28 0.491 14.781 -14.895 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -3.679 15.231 -17.463 1.00 0.00 H new ATOM 0 HE2 PHE A 28 0.533 15.803 -17.128 1.00 0.00 H new ATOM 0 HZ PHE A 28 -1.554 16.032 -18.417 1.00 0.00 H new ATOM 408 N TRP A 29 -0.816 11.173 -11.515 1.00 0.00 N ATOM 409 CA TRP A 29 -1.005 10.589 -10.192 1.00 0.00 C ATOM 410 C TRP A 29 -0.060 11.223 -9.177 1.00 0.00 C ATOM 411 O TRP A 29 1.078 11.565 -9.503 1.00 0.00 O ATOM 412 CB TRP A 29 -0.778 9.077 -10.243 1.00 0.00 C ATOM 413 CG TRP A 29 -1.820 8.347 -11.035 1.00 0.00 C ATOM 414 CD1 TRP A 29 -2.981 7.807 -10.561 1.00 0.00 C ATOM 415 CD2 TRP A 29 -1.793 8.075 -12.440 1.00 0.00 C ATOM 416 NE1 TRP A 29 -3.678 7.216 -11.587 1.00 0.00 N ATOM 417 CE2 TRP A 29 -2.971 7.367 -12.750 1.00 0.00 C ATOM 418 CE3 TRP A 29 -0.891 8.362 -13.468 1.00 0.00 C ATOM 419 CZ2 TRP A 29 -3.266 6.943 -14.043 1.00 0.00 C ATOM 420 CZ3 TRP A 29 -1.185 7.941 -14.750 1.00 0.00 C ATOM 421 CH2 TRP A 29 -2.365 7.238 -15.029 1.00 0.00 C ATOM 0 H TRP A 29 0.144 11.140 -11.858 1.00 0.00 H new ATOM 0 HA TRP A 29 -2.030 10.786 -9.878 1.00 0.00 H new ATOM 0 HB2 TRP A 29 0.203 8.878 -10.676 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -0.763 8.684 -9.226 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -3.304 7.840 -9.531 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -4.576 6.742 -11.497 1.00 0.00 H new ATOM 0 HE3 TRP A 29 0.021 8.904 -13.263 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -4.174 6.400 -14.260 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -0.494 8.157 -15.551 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -2.567 6.923 -16.042 1.00 0.00 H new ATOM 432 N HIS A 30 -0.537 11.378 -7.946 1.00 0.00 N ATOM 433 CA HIS A 30 0.267 11.971 -6.883 1.00 0.00 C ATOM 434 C HIS A 30 1.422 11.052 -6.499 1.00 0.00 C ATOM 435 O HIS A 30 1.403 9.857 -6.796 1.00 0.00 O ATOM 436 CB HIS A 30 -0.602 12.257 -5.658 1.00 0.00 C ATOM 437 CG HIS A 30 -1.378 13.534 -5.759 1.00 0.00 C ATOM 438 ND1 HIS A 30 -2.755 13.577 -5.802 1.00 0.00 N ATOM 439 CD2 HIS A 30 -0.961 14.821 -5.825 1.00 0.00 C ATOM 440 CE1 HIS A 30 -3.153 14.833 -5.891 1.00 0.00 C ATOM 441 NE2 HIS A 30 -2.083 15.608 -5.906 1.00 0.00 N ATOM 0 H HIS A 30 -1.476 11.101 -7.660 1.00 0.00 H new ATOM 0 HA HIS A 30 0.680 12.909 -7.253 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -1.297 11.430 -5.515 1.00 0.00 H new ATOM 0 HB3 HIS A 30 0.033 12.297 -4.773 1.00 0.00 H new ATOM 0 HD1 HIS A 30 -3.371 12.765 -5.770 1.00 0.00 H new ATOM 0 HD2 HIS A 30 0.063 15.164 -5.816 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -4.178 15.169 -5.943 1.00 0.00 H new ATOM 449 N ASP A 31 2.426 11.617 -5.838 1.00 0.00 N ATOM 450 CA ASP A 31 3.590 10.848 -5.413 1.00 0.00 C ATOM 451 C ASP A 31 3.190 9.757 -4.424 1.00 0.00 C ATOM 452 O ASP A 31 3.949 8.821 -4.174 1.00 0.00 O ATOM 453 CB ASP A 31 4.633 11.770 -4.779 1.00 0.00 C ATOM 454 CG ASP A 31 4.083 12.535 -3.591 1.00 0.00 C ATOM 455 OD1 ASP A 31 3.063 13.236 -3.758 1.00 0.00 O ATOM 456 OD2 ASP A 31 4.674 12.434 -2.495 1.00 0.00 O ATOM 0 H ASP A 31 2.457 12.605 -5.585 1.00 0.00 H new ATOM 0 HA ASP A 31 4.022 10.374 -6.294 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.491 11.178 -4.461 1.00 0.00 H new ATOM 0 HB3 ASP A 31 4.992 12.476 -5.527 1.00 0.00 H new ATOM 461 N THR A 32 1.991 9.885 -3.863 1.00 0.00 N ATOM 462 CA THR A 32 1.490 8.912 -2.901 1.00 0.00 C ATOM 463 C THR A 32 0.271 8.178 -3.445 1.00 0.00 C ATOM 464 O THR A 32 -0.410 7.456 -2.715 1.00 0.00 O ATOM 465 CB THR A 32 1.117 9.584 -1.566 1.00 0.00 C ATOM 466 OG1 THR A 32 0.182 10.643 -1.795 1.00 0.00 O ATOM 467 CG2 THR A 32 2.355 10.133 -0.872 1.00 0.00 C ATOM 0 H THR A 32 1.349 10.653 -4.059 1.00 0.00 H new ATOM 0 HA THR A 32 2.294 8.196 -2.728 1.00 0.00 H new ATOM 0 HB THR A 32 0.662 8.833 -0.921 1.00 0.00 H new ATOM 0 HG1 THR A 32 -0.051 11.064 -0.941 1.00 0.00 H new ATOM 0 HG21 THR A 32 2.067 10.603 0.068 1.00 0.00 H new ATOM 0 HG22 THR A 32 3.051 9.319 -0.672 1.00 0.00 H new ATOM 0 HG23 THR A 32 2.835 10.871 -1.514 1.00 0.00 H new ATOM 475 N CYS A 33 -0.001 8.365 -4.733 1.00 0.00 N ATOM 476 CA CYS A 33 -1.139 7.720 -5.376 1.00 0.00 C ATOM 477 C CYS A 33 -0.673 6.714 -6.425 1.00 0.00 C ATOM 478 O CYS A 33 -1.290 5.665 -6.612 1.00 0.00 O ATOM 479 CB CYS A 33 -2.046 8.767 -6.026 1.00 0.00 C ATOM 480 SG CYS A 33 -3.070 9.700 -4.843 1.00 0.00 S ATOM 0 H CYS A 33 0.552 8.958 -5.352 1.00 0.00 H new ATOM 0 HA CYS A 33 -1.702 7.186 -4.610 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -1.429 9.468 -6.588 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -2.699 8.271 -6.744 1.00 0.00 H new ATOM 0 HG CYS A 33 -3.990 8.921 -4.357 1.00 0.00 H new ATOM 485 N PHE A 34 0.420 7.042 -7.106 1.00 0.00 N ATOM 486 CA PHE A 34 0.969 6.168 -8.136 1.00 0.00 C ATOM 487 C PHE A 34 1.617 4.935 -7.515 1.00 0.00 C ATOM 488 O PHE A 34 2.712 5.010 -6.957 1.00 0.00 O ATOM 489 CB PHE A 34 1.995 6.925 -8.983 1.00 0.00 C ATOM 490 CG PHE A 34 2.445 6.167 -10.199 1.00 0.00 C ATOM 491 CD1 PHE A 34 1.525 5.717 -11.131 1.00 0.00 C ATOM 492 CD2 PHE A 34 3.789 5.904 -10.409 1.00 0.00 C ATOM 493 CE1 PHE A 34 1.936 5.019 -12.252 1.00 0.00 C ATOM 494 CE2 PHE A 34 4.206 5.207 -11.527 1.00 0.00 C ATOM 495 CZ PHE A 34 3.278 4.763 -12.449 1.00 0.00 C ATOM 0 H PHE A 34 0.943 7.906 -6.963 1.00 0.00 H new ATOM 0 HA PHE A 34 0.149 5.842 -8.776 1.00 0.00 H new ATOM 0 HB2 PHE A 34 1.565 7.876 -9.296 1.00 0.00 H new ATOM 0 HB3 PHE A 34 2.864 7.156 -8.367 1.00 0.00 H new ATOM 0 HD1 PHE A 34 0.474 5.913 -10.981 1.00 0.00 H new ATOM 0 HD2 PHE A 34 4.519 6.248 -9.691 1.00 0.00 H new ATOM 0 HE1 PHE A 34 1.208 4.675 -12.972 1.00 0.00 H new ATOM 0 HE2 PHE A 34 5.257 5.010 -11.680 1.00 0.00 H new ATOM 0 HZ PHE A 34 3.602 4.217 -13.322 1.00 0.00 H new ATOM 505 N ARG A 35 0.933 3.800 -7.616 1.00 0.00 N ATOM 506 CA ARG A 35 1.440 2.550 -7.062 1.00 0.00 C ATOM 507 C ARG A 35 0.833 1.350 -7.784 1.00 0.00 C ATOM 508 O ARG A 35 -0.029 1.504 -8.649 1.00 0.00 O ATOM 509 CB ARG A 35 1.132 2.468 -5.566 1.00 0.00 C ATOM 510 CG ARG A 35 -0.354 2.404 -5.252 1.00 0.00 C ATOM 511 CD ARG A 35 -0.601 2.177 -3.769 1.00 0.00 C ATOM 512 NE ARG A 35 -0.539 3.421 -3.007 1.00 0.00 N ATOM 513 CZ ARG A 35 0.592 3.948 -2.551 1.00 0.00 C ATOM 514 NH1 ARG A 35 1.749 3.342 -2.779 1.00 0.00 N ATOM 515 NH2 ARG A 35 0.566 5.083 -1.865 1.00 0.00 N ATOM 0 H ARG A 35 0.026 3.720 -8.076 1.00 0.00 H new ATOM 0 HA ARG A 35 2.520 2.530 -7.205 1.00 0.00 H new ATOM 0 HB2 ARG A 35 1.621 1.586 -5.151 1.00 0.00 H new ATOM 0 HB3 ARG A 35 1.563 3.336 -5.067 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.833 3.332 -5.564 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -0.814 1.599 -5.826 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -1.579 1.716 -3.631 1.00 0.00 H new ATOM 0 HD3 ARG A 35 0.139 1.477 -3.381 1.00 0.00 H new ATOM 0 HE ARG A 35 -1.412 3.912 -2.814 1.00 0.00 H new ATOM 0 HH11 ARG A 35 1.772 2.469 -3.306 1.00 0.00 H new ATOM 0 HH12 ARG A 35 2.616 3.749 -2.428 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -0.323 5.551 -1.687 1.00 0.00 H new ATOM 0 HH22 ARG A 35 1.435 5.487 -1.515 1.00 0.00 H new ATOM 529 N CYS A 36 1.289 0.156 -7.422 1.00 0.00 N ATOM 530 CA CYS A 36 0.793 -1.070 -8.035 1.00 0.00 C ATOM 531 C CYS A 36 -0.654 -1.334 -7.630 1.00 0.00 C ATOM 532 O CYS A 36 -1.161 -0.741 -6.678 1.00 0.00 O ATOM 533 CB CYS A 36 1.671 -2.257 -7.632 1.00 0.00 C ATOM 534 SG CYS A 36 1.497 -3.711 -8.716 1.00 0.00 S ATOM 0 H CYS A 36 2.002 0.011 -6.707 1.00 0.00 H new ATOM 0 HA CYS A 36 0.832 -0.947 -9.117 1.00 0.00 H new ATOM 0 HB2 CYS A 36 2.714 -1.940 -7.631 1.00 0.00 H new ATOM 0 HB3 CYS A 36 1.425 -2.547 -6.610 1.00 0.00 H new ATOM 0 HG CYS A 36 2.619 -4.366 -8.746 1.00 0.00 H new ATOM 539 N ALA A 37 -1.314 -2.227 -8.360 1.00 0.00 N ATOM 540 CA ALA A 37 -2.702 -2.570 -8.077 1.00 0.00 C ATOM 541 C ALA A 37 -2.807 -3.955 -7.446 1.00 0.00 C ATOM 542 O ALA A 37 -3.871 -4.355 -6.974 1.00 0.00 O ATOM 543 CB ALA A 37 -3.533 -2.503 -9.349 1.00 0.00 C ATOM 0 H ALA A 37 -0.909 -2.726 -9.152 1.00 0.00 H new ATOM 0 HA ALA A 37 -3.092 -1.844 -7.364 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -4.567 -2.762 -9.122 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -3.493 -1.493 -9.757 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -3.135 -3.206 -10.081 1.00 0.00 H new ATOM 549 N LYS A 38 -1.696 -4.684 -7.442 1.00 0.00 N ATOM 550 CA LYS A 38 -1.661 -6.024 -6.869 1.00 0.00 C ATOM 551 C LYS A 38 -0.938 -6.024 -5.526 1.00 0.00 C ATOM 552 O LYS A 38 -1.433 -6.575 -4.543 1.00 0.00 O ATOM 553 CB LYS A 38 -0.972 -6.995 -7.831 1.00 0.00 C ATOM 554 CG LYS A 38 -1.935 -7.727 -8.750 1.00 0.00 C ATOM 555 CD LYS A 38 -1.215 -8.335 -9.942 1.00 0.00 C ATOM 556 CE LYS A 38 -0.696 -9.730 -9.628 1.00 0.00 C ATOM 557 NZ LYS A 38 -0.385 -10.498 -10.865 1.00 0.00 N ATOM 0 H LYS A 38 -0.807 -4.369 -7.830 1.00 0.00 H new ATOM 0 HA LYS A 38 -2.689 -6.349 -6.708 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -0.253 -6.444 -8.437 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -0.408 -7.727 -7.253 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -2.445 -8.513 -8.193 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -2.701 -7.036 -9.101 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -1.894 -8.381 -10.793 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -0.383 -7.693 -10.232 1.00 0.00 H new ATOM 0 HE2 LYS A 38 0.201 -9.654 -9.013 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -1.439 -10.271 -9.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -0.034 -11.443 -10.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -1.246 -10.593 -11.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 0.343 -9.995 -11.412 1.00 0.00 H new ATOM 571 N CYS A 39 0.235 -5.401 -5.491 1.00 0.00 N ATOM 572 CA CYS A 39 1.026 -5.327 -4.269 1.00 0.00 C ATOM 573 C CYS A 39 0.902 -3.950 -3.623 1.00 0.00 C ATOM 574 O CYS A 39 1.325 -3.746 -2.484 1.00 0.00 O ATOM 575 CB CYS A 39 2.495 -5.632 -4.569 1.00 0.00 C ATOM 576 SG CYS A 39 3.289 -4.436 -5.691 1.00 0.00 S ATOM 0 H CYS A 39 0.659 -4.940 -6.296 1.00 0.00 H new ATOM 0 HA CYS A 39 0.642 -6.071 -3.571 1.00 0.00 H new ATOM 0 HB2 CYS A 39 3.049 -5.656 -3.631 1.00 0.00 H new ATOM 0 HB3 CYS A 39 2.566 -6.628 -5.007 1.00 0.00 H new ATOM 0 HG CYS A 39 2.646 -4.407 -6.820 1.00 0.00 H new ATOM 581 N LEU A 40 0.320 -3.009 -4.357 1.00 0.00 N ATOM 582 CA LEU A 40 0.140 -1.650 -3.857 1.00 0.00 C ATOM 583 C LEU A 40 1.482 -1.017 -3.505 1.00 0.00 C ATOM 584 O LEU A 40 1.675 -0.523 -2.393 1.00 0.00 O ATOM 585 CB LEU A 40 -0.772 -1.655 -2.629 1.00 0.00 C ATOM 586 CG LEU A 40 -2.237 -2.014 -2.883 1.00 0.00 C ATOM 587 CD1 LEU A 40 -2.894 -0.975 -3.777 1.00 0.00 C ATOM 588 CD2 LEU A 40 -2.347 -3.400 -3.502 1.00 0.00 C ATOM 0 H LEU A 40 -0.036 -3.161 -5.301 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.324 -1.057 -4.645 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.367 -2.360 -1.903 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.735 -0.667 -2.170 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.760 -2.023 -1.927 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.936 -1.247 -3.947 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.848 0.001 -3.295 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.370 -0.933 -4.732 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.396 -3.639 -3.676 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.809 -3.419 -4.450 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.915 -4.136 -2.824 1.00 0.00 H new ATOM 600 N HIS A 41 2.407 -1.033 -4.459 1.00 0.00 N ATOM 601 CA HIS A 41 3.731 -0.457 -4.251 1.00 0.00 C ATOM 602 C HIS A 41 3.986 0.686 -5.228 1.00 0.00 C ATOM 603 O HIS A 41 3.670 0.603 -6.415 1.00 0.00 O ATOM 604 CB HIS A 41 4.808 -1.531 -4.411 1.00 0.00 C ATOM 605 CG HIS A 41 6.195 -1.032 -4.143 1.00 0.00 C ATOM 606 ND1 HIS A 41 6.870 -1.281 -2.967 1.00 0.00 N ATOM 607 CD2 HIS A 41 7.034 -0.297 -4.909 1.00 0.00 C ATOM 608 CE1 HIS A 41 8.064 -0.719 -3.020 1.00 0.00 C ATOM 609 NE2 HIS A 41 8.189 -0.116 -4.189 1.00 0.00 N ATOM 0 H HIS A 41 2.264 -1.439 -5.384 1.00 0.00 H new ATOM 0 HA HIS A 41 3.772 -0.060 -3.237 1.00 0.00 H new ATOM 0 HB2 HIS A 41 4.590 -2.356 -3.733 1.00 0.00 H new ATOM 0 HB3 HIS A 41 4.764 -1.930 -5.424 1.00 0.00 H new ATOM 0 HD2 HIS A 41 6.833 0.078 -5.902 1.00 0.00 H new ATOM 0 HE1 HIS A 41 8.811 -0.747 -2.241 1.00 0.00 H new ATOM 0 HE2 HIS A 41 9.010 0.400 -4.505 1.00 0.00 H new ATOM 618 N PRO A 42 4.572 1.780 -4.720 1.00 0.00 N ATOM 619 CA PRO A 42 4.883 2.961 -5.531 1.00 0.00 C ATOM 620 C PRO A 42 6.008 2.702 -6.526 1.00 0.00 C ATOM 621 O PRO A 42 7.093 2.256 -6.149 1.00 0.00 O ATOM 622 CB PRO A 42 5.315 4.001 -4.493 1.00 0.00 C ATOM 623 CG PRO A 42 5.811 3.200 -3.339 1.00 0.00 C ATOM 624 CD PRO A 42 4.977 1.949 -3.314 1.00 0.00 C ATOM 0 HA PRO A 42 4.033 3.273 -6.139 1.00 0.00 H new ATOM 0 HB2 PRO A 42 6.095 4.653 -4.887 1.00 0.00 H new ATOM 0 HB3 PRO A 42 4.481 4.640 -4.202 1.00 0.00 H new ATOM 0 HG2 PRO A 42 6.868 2.962 -3.455 1.00 0.00 H new ATOM 0 HG3 PRO A 42 5.710 3.755 -2.406 1.00 0.00 H new ATOM 0 HD2 PRO A 42 5.548 1.093 -2.955 1.00 0.00 H new ATOM 0 HD3 PRO A 42 4.114 2.055 -2.657 1.00 0.00 H new ATOM 632 N LEU A 43 5.745 2.983 -7.797 1.00 0.00 N ATOM 633 CA LEU A 43 6.736 2.780 -8.848 1.00 0.00 C ATOM 634 C LEU A 43 7.345 4.109 -9.286 1.00 0.00 C ATOM 635 O LEU A 43 7.781 4.257 -10.427 1.00 0.00 O ATOM 636 CB LEU A 43 6.101 2.077 -10.048 1.00 0.00 C ATOM 637 CG LEU A 43 5.523 0.686 -9.782 1.00 0.00 C ATOM 638 CD1 LEU A 43 6.430 -0.099 -8.847 1.00 0.00 C ATOM 639 CD2 LEU A 43 4.120 0.793 -9.202 1.00 0.00 C ATOM 0 H LEU A 43 4.853 3.353 -8.125 1.00 0.00 H new ATOM 0 HA LEU A 43 7.531 2.151 -8.446 1.00 0.00 H new ATOM 0 HB2 LEU A 43 5.304 2.712 -10.436 1.00 0.00 H new ATOM 0 HB3 LEU A 43 6.852 1.992 -10.834 1.00 0.00 H new ATOM 0 HG LEU A 43 5.463 0.151 -10.730 1.00 0.00 H new ATOM 0 HD11 LEU A 43 6.003 -1.086 -8.669 1.00 0.00 H new ATOM 0 HD12 LEU A 43 7.415 -0.207 -9.301 1.00 0.00 H new ATOM 0 HD13 LEU A 43 6.523 0.432 -7.900 1.00 0.00 H new ATOM 0 HD21 LEU A 43 3.725 -0.206 -9.019 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.155 1.347 -8.264 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.474 1.315 -9.907 1.00 0.00 H new ATOM 651 N ALA A 44 7.373 5.072 -8.370 1.00 0.00 N ATOM 652 CA ALA A 44 7.932 6.386 -8.661 1.00 0.00 C ATOM 653 C ALA A 44 9.403 6.283 -9.050 1.00 0.00 C ATOM 654 O ALA A 44 9.795 6.690 -10.142 1.00 0.00 O ATOM 655 CB ALA A 44 7.764 7.308 -7.462 1.00 0.00 C ATOM 0 H ALA A 44 7.015 4.966 -7.421 1.00 0.00 H new ATOM 0 HA ALA A 44 7.388 6.806 -9.507 1.00 0.00 H new ATOM 0 HB1 ALA A 44 8.186 8.286 -7.693 1.00 0.00 H new ATOM 0 HB2 ALA A 44 6.704 7.415 -7.231 1.00 0.00 H new ATOM 0 HB3 ALA A 44 8.281 6.884 -6.602 1.00 0.00 H new ATOM 661 N ASN A 45 10.212 5.738 -8.147 1.00 0.00 N ATOM 662 CA ASN A 45 11.640 5.583 -8.396 1.00 0.00 C ATOM 663 C ASN A 45 11.923 4.291 -9.157 1.00 0.00 C ATOM 664 O ASN A 45 12.986 4.134 -9.758 1.00 0.00 O ATOM 665 CB ASN A 45 12.413 5.589 -7.076 1.00 0.00 C ATOM 666 CG ASN A 45 11.870 6.610 -6.093 1.00 0.00 C ATOM 667 OD1 ASN A 45 11.749 7.792 -6.413 1.00 0.00 O ATOM 668 ND2 ASN A 45 11.542 6.155 -4.890 1.00 0.00 N ATOM 0 H ASN A 45 9.903 5.397 -7.237 1.00 0.00 H new ATOM 0 HA ASN A 45 11.970 6.424 -9.007 1.00 0.00 H new ATOM 0 HB2 ASN A 45 12.368 4.597 -6.627 1.00 0.00 H new ATOM 0 HB3 ASN A 45 13.463 5.802 -7.274 1.00 0.00 H new ATOM 0 HD21 ASN A 45 11.172 6.794 -4.186 1.00 0.00 H new ATOM 0 HD22 ASN A 45 11.660 5.166 -4.669 1.00 0.00 H new ATOM 675 N GLU A 46 10.965 3.371 -9.127 1.00 0.00 N ATOM 676 CA GLU A 46 11.111 2.093 -9.815 1.00 0.00 C ATOM 677 C GLU A 46 10.314 2.080 -11.116 1.00 0.00 C ATOM 678 O GLU A 46 9.576 3.020 -11.415 1.00 0.00 O ATOM 679 CB GLU A 46 10.652 0.947 -8.911 1.00 0.00 C ATOM 680 CG GLU A 46 11.764 0.363 -8.056 1.00 0.00 C ATOM 681 CD GLU A 46 13.048 0.151 -8.834 1.00 0.00 C ATOM 682 OE1 GLU A 46 13.035 -0.653 -9.791 1.00 0.00 O ATOM 683 OE2 GLU A 46 14.065 0.787 -8.488 1.00 0.00 O ATOM 0 H GLU A 46 10.079 3.486 -8.634 1.00 0.00 H new ATOM 0 HA GLU A 46 12.166 1.957 -10.055 1.00 0.00 H new ATOM 0 HB2 GLU A 46 9.855 1.306 -8.260 1.00 0.00 H new ATOM 0 HB3 GLU A 46 10.227 0.156 -9.529 1.00 0.00 H new ATOM 0 HG2 GLU A 46 11.959 1.029 -7.215 1.00 0.00 H new ATOM 0 HG3 GLU A 46 11.435 -0.589 -7.639 1.00 0.00 H new ATOM 690 N THR A 47 10.468 1.008 -11.887 1.00 0.00 N ATOM 691 CA THR A 47 9.765 0.873 -13.156 1.00 0.00 C ATOM 692 C THR A 47 8.341 0.370 -12.945 1.00 0.00 C ATOM 693 O THR A 47 8.070 -0.382 -12.008 1.00 0.00 O ATOM 694 CB THR A 47 10.502 -0.090 -14.106 1.00 0.00 C ATOM 695 OG1 THR A 47 11.909 0.174 -14.076 1.00 0.00 O ATOM 696 CG2 THR A 47 9.984 0.053 -15.530 1.00 0.00 C ATOM 0 H THR A 47 11.073 0.221 -11.654 1.00 0.00 H new ATOM 0 HA THR A 47 9.734 1.865 -13.608 1.00 0.00 H new ATOM 0 HB THR A 47 10.317 -1.110 -13.770 1.00 0.00 H new ATOM 0 HG1 THR A 47 12.371 -0.443 -14.681 1.00 0.00 H new ATOM 0 HG21 THR A 47 10.519 -0.637 -16.183 1.00 0.00 H new ATOM 0 HG22 THR A 47 8.919 -0.177 -15.554 1.00 0.00 H new ATOM 0 HG23 THR A 47 10.143 1.075 -15.874 1.00 0.00 H new ATOM 704 N PHE A 48 7.435 0.787 -13.823 1.00 0.00 N ATOM 705 CA PHE A 48 6.038 0.379 -13.732 1.00 0.00 C ATOM 706 C PHE A 48 5.564 -0.233 -15.047 1.00 0.00 C ATOM 707 O PHE A 48 6.191 -0.052 -16.091 1.00 0.00 O ATOM 708 CB PHE A 48 5.157 1.576 -13.367 1.00 0.00 C ATOM 709 CG PHE A 48 5.266 2.718 -14.336 1.00 0.00 C ATOM 710 CD1 PHE A 48 4.444 2.779 -15.449 1.00 0.00 C ATOM 711 CD2 PHE A 48 6.189 3.731 -14.132 1.00 0.00 C ATOM 712 CE1 PHE A 48 4.543 3.829 -16.343 1.00 0.00 C ATOM 713 CE2 PHE A 48 6.292 4.783 -15.023 1.00 0.00 C ATOM 714 CZ PHE A 48 5.467 4.833 -16.129 1.00 0.00 C ATOM 0 H PHE A 48 7.643 1.407 -14.606 1.00 0.00 H new ATOM 0 HA PHE A 48 5.956 -0.375 -12.949 1.00 0.00 H new ATOM 0 HB2 PHE A 48 4.118 1.250 -13.317 1.00 0.00 H new ATOM 0 HB3 PHE A 48 5.429 1.927 -12.372 1.00 0.00 H new ATOM 0 HD1 PHE A 48 3.718 1.998 -15.620 1.00 0.00 H new ATOM 0 HD2 PHE A 48 6.835 3.698 -13.267 1.00 0.00 H new ATOM 0 HE1 PHE A 48 3.898 3.864 -17.208 1.00 0.00 H new ATOM 0 HE2 PHE A 48 7.017 5.565 -14.854 1.00 0.00 H new ATOM 0 HZ PHE A 48 5.544 5.655 -16.825 1.00 0.00 H new ATOM 724 N VAL A 49 4.452 -0.960 -14.988 1.00 0.00 N ATOM 725 CA VAL A 49 3.893 -1.599 -16.173 1.00 0.00 C ATOM 726 C VAL A 49 2.397 -1.329 -16.288 1.00 0.00 C ATOM 727 O VAL A 49 1.670 -1.375 -15.296 1.00 0.00 O ATOM 728 CB VAL A 49 4.130 -3.120 -16.155 1.00 0.00 C ATOM 729 CG1 VAL A 49 3.473 -3.778 -17.359 1.00 0.00 C ATOM 730 CG2 VAL A 49 5.619 -3.427 -16.116 1.00 0.00 C ATOM 0 H VAL A 49 3.921 -1.121 -14.132 1.00 0.00 H new ATOM 0 HA VAL A 49 4.404 -1.170 -17.035 1.00 0.00 H new ATOM 0 HB VAL A 49 3.674 -3.530 -15.254 1.00 0.00 H new ATOM 0 HG11 VAL A 49 3.652 -4.853 -17.329 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.400 -3.588 -17.337 1.00 0.00 H new ATOM 0 HG13 VAL A 49 3.896 -3.366 -18.275 1.00 0.00 H new ATOM 0 HG21 VAL A 49 5.768 -4.507 -16.104 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.101 -3.004 -16.998 1.00 0.00 H new ATOM 0 HG23 VAL A 49 6.057 -2.990 -15.219 1.00 0.00 H new ATOM 740 N ALA A 50 1.943 -1.049 -17.505 1.00 0.00 N ATOM 741 CA ALA A 50 0.533 -0.775 -17.750 1.00 0.00 C ATOM 742 C ALA A 50 -0.039 -1.730 -18.793 1.00 0.00 C ATOM 743 O ALA A 50 0.294 -1.647 -19.975 1.00 0.00 O ATOM 744 CB ALA A 50 0.345 0.668 -18.195 1.00 0.00 C ATOM 0 H ALA A 50 2.532 -1.006 -18.337 1.00 0.00 H new ATOM 0 HA ALA A 50 -0.009 -0.930 -16.817 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -0.713 0.858 -18.374 1.00 0.00 H new ATOM 0 HB2 ALA A 50 0.708 1.339 -17.416 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.906 0.842 -19.113 1.00 0.00 H new ATOM 750 N LYS A 51 -0.901 -2.638 -18.347 1.00 0.00 N ATOM 751 CA LYS A 51 -1.520 -3.610 -19.241 1.00 0.00 C ATOM 752 C LYS A 51 -2.992 -3.807 -18.894 1.00 0.00 C ATOM 753 O LYS A 51 -3.332 -4.147 -17.761 1.00 0.00 O ATOM 754 CB LYS A 51 -0.782 -4.948 -19.162 1.00 0.00 C ATOM 755 CG LYS A 51 0.284 -5.120 -20.230 1.00 0.00 C ATOM 756 CD LYS A 51 1.573 -4.412 -19.850 1.00 0.00 C ATOM 757 CE LYS A 51 2.791 -5.136 -20.403 1.00 0.00 C ATOM 758 NZ LYS A 51 3.065 -6.401 -19.668 1.00 0.00 N ATOM 0 H LYS A 51 -1.187 -2.721 -17.371 1.00 0.00 H new ATOM 0 HA LYS A 51 -1.453 -3.225 -20.259 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -0.318 -5.040 -18.180 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -1.506 -5.758 -19.250 1.00 0.00 H new ATOM 0 HG2 LYS A 51 0.482 -6.181 -20.381 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -0.083 -4.726 -21.178 1.00 0.00 H new ATOM 0 HD2 LYS A 51 1.553 -3.390 -20.228 1.00 0.00 H new ATOM 0 HD3 LYS A 51 1.648 -4.349 -18.764 1.00 0.00 H new ATOM 0 HE2 LYS A 51 2.634 -5.356 -21.459 1.00 0.00 H new ATOM 0 HE3 LYS A 51 3.662 -4.483 -20.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 4.082 -6.615 -19.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 2.777 -6.294 -18.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 2.528 -7.178 -20.102 1.00 0.00 H new ATOM 772 N ASP A 52 -3.860 -3.594 -19.876 1.00 0.00 N ATOM 773 CA ASP A 52 -5.296 -3.751 -19.676 1.00 0.00 C ATOM 774 C ASP A 52 -5.854 -2.612 -18.827 1.00 0.00 C ATOM 775 O ASP A 52 -6.684 -2.831 -17.946 1.00 0.00 O ATOM 776 CB ASP A 52 -5.595 -5.094 -19.009 1.00 0.00 C ATOM 777 CG ASP A 52 -6.959 -5.637 -19.388 1.00 0.00 C ATOM 778 OD1 ASP A 52 -7.217 -5.801 -20.598 1.00 0.00 O ATOM 779 OD2 ASP A 52 -7.769 -5.898 -18.473 1.00 0.00 O ATOM 0 H ASP A 52 -3.594 -3.312 -20.820 1.00 0.00 H new ATOM 0 HA ASP A 52 -5.780 -3.723 -20.652 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -4.828 -5.816 -19.292 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -5.541 -4.979 -17.926 1.00 0.00 H new ATOM 784 N ASN A 53 -5.391 -1.396 -19.099 1.00 0.00 N ATOM 785 CA ASN A 53 -5.842 -0.223 -18.360 1.00 0.00 C ATOM 786 C ASN A 53 -5.670 -0.428 -16.857 1.00 0.00 C ATOM 787 O ASN A 53 -6.470 0.058 -16.058 1.00 0.00 O ATOM 788 CB ASN A 53 -7.308 0.075 -18.681 1.00 0.00 C ATOM 789 CG ASN A 53 -7.596 0.025 -20.169 1.00 0.00 C ATOM 790 OD1 ASN A 53 -7.679 -1.052 -20.760 1.00 0.00 O ATOM 791 ND2 ASN A 53 -7.749 1.193 -20.781 1.00 0.00 N ATOM 0 H ASN A 53 -4.704 -1.198 -19.826 1.00 0.00 H new ATOM 0 HA ASN A 53 -5.230 0.626 -18.666 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -7.943 -0.646 -18.166 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -7.568 1.061 -18.296 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -7.944 1.223 -21.782 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -7.672 2.061 -20.250 1.00 0.00 H new ATOM 798 N LYS A 54 -4.620 -1.150 -16.481 1.00 0.00 N ATOM 799 CA LYS A 54 -4.340 -1.418 -15.075 1.00 0.00 C ATOM 800 C LYS A 54 -2.852 -1.265 -14.778 1.00 0.00 C ATOM 801 O LYS A 54 -2.009 -1.833 -15.472 1.00 0.00 O ATOM 802 CB LYS A 54 -4.803 -2.829 -14.702 1.00 0.00 C ATOM 803 CG LYS A 54 -6.310 -2.957 -14.558 1.00 0.00 C ATOM 804 CD LYS A 54 -6.754 -2.731 -13.123 1.00 0.00 C ATOM 805 CE LYS A 54 -7.064 -1.265 -12.859 1.00 0.00 C ATOM 806 NZ LYS A 54 -7.746 -1.069 -11.550 1.00 0.00 N ATOM 0 H LYS A 54 -3.949 -1.560 -17.130 1.00 0.00 H new ATOM 0 HA LYS A 54 -4.889 -0.691 -14.476 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -4.459 -3.528 -15.464 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -4.331 -3.121 -13.764 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.801 -2.235 -15.210 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -6.625 -3.948 -14.886 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -7.638 -3.334 -12.915 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -5.972 -3.067 -12.442 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -6.139 -0.689 -12.876 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -7.695 -0.878 -13.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -7.940 -0.057 -11.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -8.642 -1.598 -11.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -7.133 -1.415 -10.784 1.00 0.00 H new ATOM 820 N ILE A 55 -2.537 -0.495 -13.742 1.00 0.00 N ATOM 821 CA ILE A 55 -1.151 -0.269 -13.352 1.00 0.00 C ATOM 822 C ILE A 55 -0.624 -1.422 -12.504 1.00 0.00 C ATOM 823 O ILE A 55 -1.280 -1.863 -11.559 1.00 0.00 O ATOM 824 CB ILE A 55 -0.994 1.045 -12.565 1.00 0.00 C ATOM 825 CG1 ILE A 55 -1.517 2.224 -13.389 1.00 0.00 C ATOM 826 CG2 ILE A 55 0.463 1.264 -12.184 1.00 0.00 C ATOM 827 CD1 ILE A 55 -0.755 2.445 -14.678 1.00 0.00 C ATOM 0 H ILE A 55 -3.223 -0.017 -13.158 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.571 -0.203 -14.273 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.582 0.975 -11.650 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.568 2.056 -13.622 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.465 3.130 -12.786 1.00 0.00 H new ATOM 0 HG21 ILE A 55 0.557 2.197 -11.628 1.00 0.00 H new ATOM 0 HG22 ILE A 55 0.805 0.436 -11.564 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.071 1.316 -13.087 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -1.180 3.296 -15.210 1.00 0.00 H new ATOM 0 HD12 ILE A 55 0.292 2.645 -14.452 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -0.828 1.554 -15.301 1.00 0.00 H new ATOM 839 N LEU A 56 0.565 -1.906 -12.846 1.00 0.00 N ATOM 840 CA LEU A 56 1.183 -3.007 -12.115 1.00 0.00 C ATOM 841 C LEU A 56 2.701 -2.862 -12.094 1.00 0.00 C ATOM 842 O LEU A 56 3.265 -2.022 -12.795 1.00 0.00 O ATOM 843 CB LEU A 56 0.795 -4.345 -12.747 1.00 0.00 C ATOM 844 CG LEU A 56 -0.693 -4.697 -12.712 1.00 0.00 C ATOM 845 CD1 LEU A 56 -0.970 -5.924 -13.567 1.00 0.00 C ATOM 846 CD2 LEU A 56 -1.154 -4.927 -11.280 1.00 0.00 C ATOM 0 H LEU A 56 1.121 -1.553 -13.625 1.00 0.00 H new ATOM 0 HA LEU A 56 0.820 -2.979 -11.088 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.123 -4.342 -13.787 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.347 -5.137 -12.241 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.255 -3.858 -13.122 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -2.033 -6.160 -13.531 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.678 -5.723 -14.598 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.397 -6.770 -13.186 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.215 -5.176 -11.275 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.586 -5.748 -10.842 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -0.991 -4.021 -10.696 1.00 0.00 H new ATOM 858 N CYS A 57 3.357 -3.689 -11.287 1.00 0.00 N ATOM 859 CA CYS A 57 4.810 -3.656 -11.174 1.00 0.00 C ATOM 860 C CYS A 57 5.432 -4.907 -11.787 1.00 0.00 C ATOM 861 O CYS A 57 4.736 -5.877 -12.084 1.00 0.00 O ATOM 862 CB CYS A 57 5.227 -3.532 -9.707 1.00 0.00 C ATOM 863 SG CYS A 57 5.192 -5.105 -8.790 1.00 0.00 S ATOM 0 H CYS A 57 2.905 -4.391 -10.701 1.00 0.00 H new ATOM 0 HA CYS A 57 5.172 -2.786 -11.722 1.00 0.00 H new ATOM 0 HB2 CYS A 57 6.235 -3.119 -9.660 1.00 0.00 H new ATOM 0 HB3 CYS A 57 4.567 -2.820 -9.212 1.00 0.00 H new ATOM 0 HG CYS A 57 4.517 -4.951 -7.689 1.00 0.00 H new ATOM 868 N ASN A 58 6.748 -4.878 -11.974 1.00 0.00 N ATOM 869 CA ASN A 58 7.464 -6.009 -12.551 1.00 0.00 C ATOM 870 C ASN A 58 7.312 -7.252 -11.679 1.00 0.00 C ATOM 871 O ASN A 58 7.045 -8.345 -12.178 1.00 0.00 O ATOM 872 CB ASN A 58 8.946 -5.669 -12.720 1.00 0.00 C ATOM 873 CG ASN A 58 9.163 -4.238 -13.171 1.00 0.00 C ATOM 874 OD1 ASN A 58 8.840 -3.292 -12.452 1.00 0.00 O ATOM 875 ND2 ASN A 58 9.712 -4.072 -14.369 1.00 0.00 N ATOM 0 H ASN A 58 7.340 -4.083 -11.734 1.00 0.00 H new ATOM 0 HA ASN A 58 7.032 -6.219 -13.530 1.00 0.00 H new ATOM 0 HB2 ASN A 58 9.463 -5.831 -11.774 1.00 0.00 H new ATOM 0 HB3 ASN A 58 9.391 -6.348 -13.448 1.00 0.00 H new ATOM 0 HD21 ASN A 58 9.881 -3.132 -14.727 1.00 0.00 H new ATOM 0 HD22 ASN A 58 9.964 -4.885 -14.931 1.00 0.00 H new ATOM 882 N LYS A 59 7.482 -7.076 -10.373 1.00 0.00 N ATOM 883 CA LYS A 59 7.363 -8.181 -9.430 1.00 0.00 C ATOM 884 C LYS A 59 6.034 -8.909 -9.610 1.00 0.00 C ATOM 885 O LYS A 59 5.946 -10.120 -9.407 1.00 0.00 O ATOM 886 CB LYS A 59 7.484 -7.668 -7.993 1.00 0.00 C ATOM 887 CG LYS A 59 8.910 -7.655 -7.470 1.00 0.00 C ATOM 888 CD LYS A 59 9.320 -9.017 -6.936 1.00 0.00 C ATOM 889 CE LYS A 59 9.970 -9.867 -8.017 1.00 0.00 C ATOM 890 NZ LYS A 59 10.846 -10.924 -7.440 1.00 0.00 N ATOM 0 H LYS A 59 7.703 -6.178 -9.944 1.00 0.00 H new ATOM 0 HA LYS A 59 8.173 -8.883 -9.628 1.00 0.00 H new ATOM 0 HB2 LYS A 59 7.078 -6.658 -7.941 1.00 0.00 H new ATOM 0 HB3 LYS A 59 6.872 -8.291 -7.341 1.00 0.00 H new ATOM 0 HG2 LYS A 59 9.589 -7.357 -8.269 1.00 0.00 H new ATOM 0 HG3 LYS A 59 9.002 -6.910 -6.679 1.00 0.00 H new ATOM 0 HD2 LYS A 59 10.014 -8.889 -6.105 1.00 0.00 H new ATOM 0 HD3 LYS A 59 8.444 -9.534 -6.543 1.00 0.00 H new ATOM 0 HE2 LYS A 59 9.196 -10.331 -8.629 1.00 0.00 H new ATOM 0 HE3 LYS A 59 10.558 -9.229 -8.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 11.270 -11.481 -8.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 11.600 -10.481 -6.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 10.281 -11.549 -6.831 1.00 0.00 H new ATOM 904 N CYS A 60 5.004 -8.163 -9.994 1.00 0.00 N ATOM 905 CA CYS A 60 3.680 -8.737 -10.203 1.00 0.00 C ATOM 906 C CYS A 60 3.542 -9.285 -11.620 1.00 0.00 C ATOM 907 O CYS A 60 3.249 -10.465 -11.816 1.00 0.00 O ATOM 908 CB CYS A 60 2.599 -7.686 -9.944 1.00 0.00 C ATOM 909 SG CYS A 60 2.255 -7.392 -8.179 1.00 0.00 S ATOM 0 H CYS A 60 5.061 -7.159 -10.167 1.00 0.00 H new ATOM 0 HA CYS A 60 3.553 -9.560 -9.500 1.00 0.00 H new ATOM 0 HB2 CYS A 60 2.903 -6.746 -10.405 1.00 0.00 H new ATOM 0 HB3 CYS A 60 1.678 -7.999 -10.435 1.00 0.00 H new ATOM 0 HG CYS A 60 1.923 -6.147 -8.003 1.00 0.00 H new ATOM 914 N THR A 61 3.756 -8.420 -12.607 1.00 0.00 N ATOM 915 CA THR A 61 3.656 -8.816 -14.006 1.00 0.00 C ATOM 916 C THR A 61 4.245 -10.205 -14.228 1.00 0.00 C ATOM 917 O THR A 61 3.714 -10.999 -15.005 1.00 0.00 O ATOM 918 CB THR A 61 4.375 -7.813 -14.927 1.00 0.00 C ATOM 919 OG1 THR A 61 5.762 -7.734 -14.578 1.00 0.00 O ATOM 920 CG2 THR A 61 3.742 -6.434 -14.824 1.00 0.00 C ATOM 0 H THR A 61 4.000 -7.440 -12.463 1.00 0.00 H new ATOM 0 HA THR A 61 2.595 -8.830 -14.255 1.00 0.00 H new ATOM 0 HB THR A 61 4.279 -8.164 -15.955 1.00 0.00 H new ATOM 0 HG1 THR A 61 5.896 -8.111 -13.683 1.00 0.00 H new ATOM 0 HG21 THR A 61 4.267 -5.743 -15.483 1.00 0.00 H new ATOM 0 HG22 THR A 61 2.694 -6.492 -15.119 1.00 0.00 H new ATOM 0 HG23 THR A 61 3.811 -6.078 -13.796 1.00 0.00 H new ATOM 1004 N PRO A 67 -4.317 -19.522 -12.217 1.00 0.00 N ATOM 1005 CA PRO A 67 -5.420 -19.212 -13.131 1.00 0.00 C ATOM 1006 C PRO A 67 -5.664 -17.713 -13.257 1.00 0.00 C ATOM 1007 O PRO A 67 -5.043 -16.911 -12.559 1.00 0.00 O ATOM 1008 CB PRO A 67 -6.624 -19.898 -12.480 1.00 0.00 C ATOM 1009 CG PRO A 67 -6.279 -19.975 -11.033 1.00 0.00 C ATOM 1010 CD PRO A 67 -4.787 -20.153 -10.972 1.00 0.00 C ATOM 0 HA PRO A 67 -5.216 -19.553 -14.146 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -7.539 -19.327 -12.639 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -6.790 -20.890 -12.901 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -6.586 -19.069 -10.510 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -6.791 -20.809 -10.553 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -4.361 -19.672 -10.092 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -4.509 -21.206 -10.926 1.00 0.00 H new ATOM 1018 N LYS A 68 -6.574 -17.339 -14.150 1.00 0.00 N ATOM 1019 CA LYS A 68 -6.903 -15.935 -14.366 1.00 0.00 C ATOM 1020 C LYS A 68 -8.406 -15.751 -14.554 1.00 0.00 C ATOM 1021 O LYS A 68 -9.118 -16.693 -14.905 1.00 0.00 O ATOM 1022 CB LYS A 68 -6.156 -15.398 -15.589 1.00 0.00 C ATOM 1023 CG LYS A 68 -4.652 -15.594 -15.518 1.00 0.00 C ATOM 1024 CD LYS A 68 -3.920 -14.633 -16.439 1.00 0.00 C ATOM 1025 CE LYS A 68 -2.416 -14.860 -16.400 1.00 0.00 C ATOM 1026 NZ LYS A 68 -2.006 -16.010 -17.253 1.00 0.00 N ATOM 0 H LYS A 68 -7.097 -17.989 -14.736 1.00 0.00 H new ATOM 0 HA LYS A 68 -6.594 -15.375 -13.484 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -6.537 -15.893 -16.483 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -6.371 -14.335 -15.697 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -4.313 -15.446 -14.493 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -4.405 -16.620 -15.791 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -4.282 -14.759 -17.460 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -4.142 -13.607 -16.146 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -1.904 -13.958 -16.736 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -2.103 -15.041 -15.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -0.975 -16.132 -17.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -2.475 -16.876 -16.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -2.282 -15.827 -18.239 1.00 0.00 H new ATOM 1040 N CYS A 69 -8.882 -14.533 -14.319 1.00 0.00 N ATOM 1041 CA CYS A 69 -10.300 -14.225 -14.463 1.00 0.00 C ATOM 1042 C CYS A 69 -10.593 -13.648 -15.845 1.00 0.00 C ATOM 1043 O CYS A 69 -9.681 -13.258 -16.574 1.00 0.00 O ATOM 1044 CB CYS A 69 -10.741 -13.236 -13.382 1.00 0.00 C ATOM 1045 SG CYS A 69 -12.546 -13.040 -13.246 1.00 0.00 S ATOM 0 H CYS A 69 -8.306 -13.743 -14.028 1.00 0.00 H new ATOM 0 HA CYS A 69 -10.861 -15.152 -14.349 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -10.349 -13.567 -12.420 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -10.295 -12.263 -13.591 1.00 0.00 H new ATOM 0 HG CYS A 69 -12.850 -12.636 -12.048 1.00 0.00 H new ATOM 1050 N LYS A 70 -11.873 -13.597 -16.199 1.00 0.00 N ATOM 1051 CA LYS A 70 -12.289 -13.067 -17.492 1.00 0.00 C ATOM 1052 C LYS A 70 -13.100 -11.787 -17.320 1.00 0.00 C ATOM 1053 O LYS A 70 -13.148 -10.945 -18.216 1.00 0.00 O ATOM 1054 CB LYS A 70 -13.115 -14.108 -18.252 1.00 0.00 C ATOM 1055 CG LYS A 70 -13.123 -13.898 -19.756 1.00 0.00 C ATOM 1056 CD LYS A 70 -11.944 -14.588 -20.422 1.00 0.00 C ATOM 1057 CE LYS A 70 -11.775 -14.134 -21.863 1.00 0.00 C ATOM 1058 NZ LYS A 70 -10.432 -14.489 -22.402 1.00 0.00 N ATOM 0 H LYS A 70 -12.640 -13.917 -15.608 1.00 0.00 H new ATOM 0 HA LYS A 70 -11.392 -12.834 -18.066 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -12.722 -15.101 -18.034 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -14.141 -14.084 -17.885 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -14.054 -14.283 -20.173 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -13.092 -12.831 -19.975 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -11.033 -14.375 -19.863 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -12.090 -15.668 -20.394 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -12.547 -14.592 -22.481 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -11.917 -13.055 -21.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -10.356 -14.163 -23.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -9.695 -14.032 -21.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -10.306 -15.521 -22.369 1.00 0.00 H new ATOM 1072 N GLY A 71 -13.737 -11.646 -16.161 1.00 0.00 N ATOM 1073 CA GLY A 71 -14.536 -10.465 -15.892 1.00 0.00 C ATOM 1074 C GLY A 71 -13.687 -9.253 -15.563 1.00 0.00 C ATOM 1075 O GLY A 71 -13.984 -8.141 -16.000 1.00 0.00 O ATOM 0 H GLY A 71 -13.714 -12.329 -15.404 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -15.157 -10.245 -16.760 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -15.211 -10.668 -15.061 1.00 0.00 H new ATOM 1079 N CYS A 72 -12.628 -9.466 -14.789 1.00 0.00 N ATOM 1080 CA CYS A 72 -11.734 -8.383 -14.399 1.00 0.00 C ATOM 1081 C CYS A 72 -10.309 -8.656 -14.872 1.00 0.00 C ATOM 1082 O CYS A 72 -9.459 -7.766 -14.862 1.00 0.00 O ATOM 1083 CB CYS A 72 -11.753 -8.199 -12.881 1.00 0.00 C ATOM 1084 SG CYS A 72 -11.231 -9.673 -11.947 1.00 0.00 S ATOM 0 H CYS A 72 -12.368 -10.380 -14.419 1.00 0.00 H new ATOM 0 HA CYS A 72 -12.086 -7.467 -14.873 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -11.101 -7.366 -12.619 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -12.761 -7.924 -12.572 1.00 0.00 H new ATOM 0 HG CYS A 72 -11.728 -10.738 -12.503 1.00 0.00 H new ATOM 1089 N PHE A 73 -10.057 -9.894 -15.285 1.00 0.00 N ATOM 1090 CA PHE A 73 -8.735 -10.286 -15.761 1.00 0.00 C ATOM 1091 C PHE A 73 -7.692 -10.130 -14.658 1.00 0.00 C ATOM 1092 O PHE A 73 -6.613 -9.580 -14.881 1.00 0.00 O ATOM 1093 CB PHE A 73 -8.338 -9.446 -16.977 1.00 0.00 C ATOM 1094 CG PHE A 73 -9.160 -9.735 -18.200 1.00 0.00 C ATOM 1095 CD1 PHE A 73 -8.929 -10.874 -18.953 1.00 0.00 C ATOM 1096 CD2 PHE A 73 -10.165 -8.867 -18.596 1.00 0.00 C ATOM 1097 CE1 PHE A 73 -9.684 -11.143 -20.079 1.00 0.00 C ATOM 1098 CE2 PHE A 73 -10.924 -9.131 -19.720 1.00 0.00 C ATOM 1099 CZ PHE A 73 -10.683 -10.270 -20.464 1.00 0.00 C ATOM 0 H PHE A 73 -10.750 -10.642 -15.300 1.00 0.00 H new ATOM 0 HA PHE A 73 -8.777 -11.336 -16.051 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -8.434 -8.390 -16.726 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -7.287 -9.625 -17.205 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -8.150 -11.560 -18.657 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -10.357 -7.974 -18.020 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -9.493 -12.035 -20.657 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -11.705 -8.447 -20.017 1.00 0.00 H new ATOM 0 HZ PHE A 73 -11.274 -10.477 -21.344 1.00 0.00 H new ATOM 1109 N LYS A 74 -8.021 -10.619 -13.467 1.00 0.00 N ATOM 1110 CA LYS A 74 -7.115 -10.536 -12.329 1.00 0.00 C ATOM 1111 C LYS A 74 -6.699 -11.927 -11.862 1.00 0.00 C ATOM 1112 O LYS A 74 -7.390 -12.912 -12.122 1.00 0.00 O ATOM 1113 CB LYS A 74 -7.778 -9.777 -11.177 1.00 0.00 C ATOM 1114 CG LYS A 74 -7.890 -8.282 -11.418 1.00 0.00 C ATOM 1115 CD LYS A 74 -8.280 -7.540 -10.151 1.00 0.00 C ATOM 1116 CE LYS A 74 -8.988 -6.231 -10.466 1.00 0.00 C ATOM 1117 NZ LYS A 74 -8.035 -5.182 -10.926 1.00 0.00 N ATOM 0 H LYS A 74 -8.910 -11.077 -13.265 1.00 0.00 H new ATOM 0 HA LYS A 74 -6.223 -9.996 -12.646 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -8.775 -10.185 -11.010 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -7.207 -9.948 -10.264 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -6.938 -7.900 -11.786 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -8.631 -8.092 -12.194 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -8.931 -8.170 -9.545 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -7.388 -7.339 -9.557 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -9.740 -6.401 -11.236 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -9.514 -5.880 -9.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -8.556 -4.305 -11.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -7.332 -5.001 -10.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -7.551 -5.506 -11.788 1.00 0.00 H new ATOM 1131 N ALA A 75 -5.566 -12.001 -11.170 1.00 0.00 N ATOM 1132 CA ALA A 75 -5.061 -13.271 -10.664 1.00 0.00 C ATOM 1133 C ALA A 75 -6.019 -13.875 -9.643 1.00 0.00 C ATOM 1134 O ALA A 75 -6.290 -13.277 -8.602 1.00 0.00 O ATOM 1135 CB ALA A 75 -3.682 -13.083 -10.050 1.00 0.00 C ATOM 0 H ALA A 75 -4.981 -11.196 -10.947 1.00 0.00 H new ATOM 0 HA ALA A 75 -4.982 -13.963 -11.503 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -3.317 -14.039 -9.676 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -2.996 -12.703 -10.807 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -3.744 -12.371 -9.227 1.00 0.00 H new ATOM 1141 N ILE A 76 -6.529 -15.064 -9.949 1.00 0.00 N ATOM 1142 CA ILE A 76 -7.456 -15.749 -9.057 1.00 0.00 C ATOM 1143 C ILE A 76 -6.709 -16.542 -7.990 1.00 0.00 C ATOM 1144 O ILE A 76 -5.594 -17.011 -8.218 1.00 0.00 O ATOM 1145 CB ILE A 76 -8.384 -16.702 -9.834 1.00 0.00 C ATOM 1146 CG1 ILE A 76 -9.191 -15.926 -10.877 1.00 0.00 C ATOM 1147 CG2 ILE A 76 -9.311 -17.435 -8.876 1.00 0.00 C ATOM 1148 CD1 ILE A 76 -9.972 -16.814 -11.819 1.00 0.00 C ATOM 0 H ILE A 76 -6.316 -15.572 -10.807 1.00 0.00 H new ATOM 0 HA ILE A 76 -8.059 -14.978 -8.577 1.00 0.00 H new ATOM 0 HB ILE A 76 -7.772 -17.440 -10.352 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -9.882 -15.256 -10.365 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -8.513 -15.301 -11.458 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -9.961 -18.105 -9.439 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -8.718 -18.015 -8.168 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -9.919 -16.711 -8.333 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -10.520 -16.197 -12.531 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -9.285 -17.466 -12.358 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -10.675 -17.420 -11.248 1.00 0.00 H new ATOM 1160 N VAL A 77 -7.332 -16.689 -6.825 1.00 0.00 N ATOM 1161 CA VAL A 77 -6.728 -17.428 -5.723 1.00 0.00 C ATOM 1162 C VAL A 77 -7.619 -18.583 -5.282 1.00 0.00 C ATOM 1163 O VAL A 77 -8.845 -18.486 -5.328 1.00 0.00 O ATOM 1164 CB VAL A 77 -6.457 -16.512 -4.515 1.00 0.00 C ATOM 1165 CG1 VAL A 77 -5.846 -17.305 -3.370 1.00 0.00 C ATOM 1166 CG2 VAL A 77 -5.552 -15.356 -4.916 1.00 0.00 C ATOM 0 H VAL A 77 -8.255 -16.306 -6.620 1.00 0.00 H new ATOM 0 HA VAL A 77 -5.781 -17.824 -6.089 1.00 0.00 H new ATOM 0 HB VAL A 77 -7.406 -16.099 -4.174 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.661 -16.641 -2.525 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -6.533 -18.095 -3.067 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -4.905 -17.748 -3.696 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -5.371 -14.719 -4.051 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -4.603 -15.747 -5.284 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -6.033 -14.773 -5.702 1.00 0.00 H new ATOM 1176 N ALA A 78 -6.995 -19.675 -4.853 1.00 0.00 N ATOM 1177 CA ALA A 78 -7.732 -20.848 -4.400 1.00 0.00 C ATOM 1178 C ALA A 78 -8.801 -20.466 -3.383 1.00 0.00 C ATOM 1179 O ALA A 78 -9.994 -20.653 -3.620 1.00 0.00 O ATOM 1180 CB ALA A 78 -6.778 -21.874 -3.806 1.00 0.00 C ATOM 0 H ALA A 78 -5.981 -19.772 -4.810 1.00 0.00 H new ATOM 0 HA ALA A 78 -8.230 -21.289 -5.263 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -7.342 -22.745 -3.472 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -6.055 -22.179 -4.562 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -6.253 -21.434 -2.958 1.00 0.00 H new ATOM 1186 N GLY A 79 -8.366 -19.929 -2.247 1.00 0.00 N ATOM 1187 CA GLY A 79 -9.299 -19.529 -1.210 1.00 0.00 C ATOM 1188 C GLY A 79 -10.385 -18.608 -1.730 1.00 0.00 C ATOM 1189 O GLY A 79 -11.554 -18.752 -1.373 1.00 0.00 O ATOM 0 H GLY A 79 -7.384 -19.764 -2.027 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.758 -20.417 -0.776 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -8.755 -19.028 -0.410 1.00 0.00 H new ATOM 1193 N ASP A 80 -9.998 -17.659 -2.575 1.00 0.00 N ATOM 1194 CA ASP A 80 -10.947 -16.710 -3.145 1.00 0.00 C ATOM 1195 C ASP A 80 -11.971 -17.425 -4.021 1.00 0.00 C ATOM 1196 O ASP A 80 -11.643 -17.909 -5.104 1.00 0.00 O ATOM 1197 CB ASP A 80 -10.211 -15.648 -3.962 1.00 0.00 C ATOM 1198 CG ASP A 80 -9.599 -14.568 -3.091 1.00 0.00 C ATOM 1199 OD1 ASP A 80 -9.287 -14.858 -1.917 1.00 0.00 O ATOM 1200 OD2 ASP A 80 -9.432 -13.433 -3.584 1.00 0.00 O ATOM 0 H ASP A 80 -9.034 -17.526 -2.880 1.00 0.00 H new ATOM 0 HA ASP A 80 -11.474 -16.224 -2.324 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -9.426 -16.125 -4.549 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -10.905 -15.192 -4.668 1.00 0.00 H new ATOM 1205 N GLN A 81 -13.210 -17.487 -3.545 1.00 0.00 N ATOM 1206 CA GLN A 81 -14.280 -18.145 -4.285 1.00 0.00 C ATOM 1207 C GLN A 81 -14.234 -17.765 -5.761 1.00 0.00 C ATOM 1208 O GLN A 81 -13.988 -16.611 -6.108 1.00 0.00 O ATOM 1209 CB GLN A 81 -15.641 -17.774 -3.693 1.00 0.00 C ATOM 1210 CG GLN A 81 -16.021 -18.602 -2.476 1.00 0.00 C ATOM 1211 CD GLN A 81 -15.003 -18.498 -1.358 1.00 0.00 C ATOM 1212 OE1 GLN A 81 -14.409 -19.495 -0.948 1.00 0.00 O ATOM 1213 NE2 GLN A 81 -14.796 -17.285 -0.857 1.00 0.00 N ATOM 0 H GLN A 81 -13.498 -17.090 -2.651 1.00 0.00 H new ATOM 0 HA GLN A 81 -14.137 -19.222 -4.201 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -15.632 -16.720 -3.417 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -16.407 -17.896 -4.459 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -16.994 -18.275 -2.108 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -16.126 -19.646 -2.770 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -15.311 -16.486 -1.227 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -14.123 -17.153 -0.102 1.00 0.00 H new ATOM 1222 N ASN A 82 -14.474 -18.745 -6.627 1.00 0.00 N ATOM 1223 CA ASN A 82 -14.458 -18.513 -8.067 1.00 0.00 C ATOM 1224 C ASN A 82 -15.518 -19.360 -8.765 1.00 0.00 C ATOM 1225 O ASN A 82 -16.174 -20.193 -8.140 1.00 0.00 O ATOM 1226 CB ASN A 82 -13.076 -18.831 -8.641 1.00 0.00 C ATOM 1227 CG ASN A 82 -12.391 -19.965 -7.904 1.00 0.00 C ATOM 1228 OD1 ASN A 82 -12.844 -21.109 -7.944 1.00 0.00 O ATOM 1229 ND2 ASN A 82 -11.292 -19.652 -7.227 1.00 0.00 N ATOM 0 H ASN A 82 -14.682 -19.706 -6.357 1.00 0.00 H new ATOM 0 HA ASN A 82 -14.683 -17.461 -8.243 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -13.175 -19.093 -9.694 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -12.451 -17.939 -8.592 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -10.787 -20.374 -6.712 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -10.953 -18.690 -7.222 1.00 0.00 H new ATOM 1236 N VAL A 83 -15.680 -19.140 -10.066 1.00 0.00 N ATOM 1237 CA VAL A 83 -16.659 -19.884 -10.851 1.00 0.00 C ATOM 1238 C VAL A 83 -16.065 -20.343 -12.178 1.00 0.00 C ATOM 1239 O VAL A 83 -15.855 -19.539 -13.086 1.00 0.00 O ATOM 1240 CB VAL A 83 -17.915 -19.037 -11.129 1.00 0.00 C ATOM 1241 CG1 VAL A 83 -18.995 -19.884 -11.785 1.00 0.00 C ATOM 1242 CG2 VAL A 83 -18.428 -18.408 -9.842 1.00 0.00 C ATOM 0 H VAL A 83 -15.146 -18.453 -10.599 1.00 0.00 H new ATOM 0 HA VAL A 83 -16.941 -20.756 -10.261 1.00 0.00 H new ATOM 0 HB VAL A 83 -17.647 -18.235 -11.817 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -19.875 -19.269 -11.974 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -18.622 -20.283 -12.728 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -19.263 -20.708 -11.123 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -19.316 -17.813 -10.056 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -18.681 -19.193 -9.129 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -17.656 -17.767 -9.417 1.00 0.00 H new ATOM 1252 N GLU A 84 -15.796 -21.641 -12.283 1.00 0.00 N ATOM 1253 CA GLU A 84 -15.226 -22.206 -13.499 1.00 0.00 C ATOM 1254 C GLU A 84 -16.321 -22.761 -14.407 1.00 0.00 C ATOM 1255 O GLU A 84 -17.191 -23.509 -13.961 1.00 0.00 O ATOM 1256 CB GLU A 84 -14.226 -23.312 -13.155 1.00 0.00 C ATOM 1257 CG GLU A 84 -13.185 -23.549 -14.235 1.00 0.00 C ATOM 1258 CD GLU A 84 -12.563 -24.930 -14.153 1.00 0.00 C ATOM 1259 OE1 GLU A 84 -13.228 -25.906 -14.560 1.00 0.00 O ATOM 1260 OE2 GLU A 84 -11.411 -25.034 -13.681 1.00 0.00 O ATOM 0 H GLU A 84 -15.964 -22.320 -11.541 1.00 0.00 H new ATOM 0 HA GLU A 84 -14.706 -21.408 -14.030 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -13.720 -23.056 -12.224 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -14.770 -24.240 -12.977 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -13.647 -23.420 -15.214 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -12.401 -22.796 -14.151 1.00 0.00 H new ATOM 1267 N TYR A 85 -16.270 -22.388 -15.681 1.00 0.00 N ATOM 1268 CA TYR A 85 -17.258 -22.845 -16.651 1.00 0.00 C ATOM 1269 C TYR A 85 -16.593 -23.627 -17.779 1.00 0.00 C ATOM 1270 O TYR A 85 -16.455 -23.132 -18.897 1.00 0.00 O ATOM 1271 CB TYR A 85 -18.027 -21.654 -17.226 1.00 0.00 C ATOM 1272 CG TYR A 85 -19.039 -22.040 -18.281 1.00 0.00 C ATOM 1273 CD1 TYR A 85 -19.631 -23.297 -18.277 1.00 0.00 C ATOM 1274 CD2 TYR A 85 -19.403 -21.148 -19.282 1.00 0.00 C ATOM 1275 CE1 TYR A 85 -20.555 -23.654 -19.240 1.00 0.00 C ATOM 1276 CE2 TYR A 85 -20.328 -21.496 -20.247 1.00 0.00 C ATOM 1277 CZ TYR A 85 -20.901 -22.750 -20.222 1.00 0.00 C ATOM 1278 OH TYR A 85 -21.821 -23.101 -21.183 1.00 0.00 O ATOM 0 H TYR A 85 -15.555 -21.771 -16.066 1.00 0.00 H new ATOM 0 HA TYR A 85 -17.956 -23.506 -16.137 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -18.539 -21.137 -16.415 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -17.317 -20.947 -17.656 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -19.364 -24.007 -17.508 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -18.955 -20.166 -19.306 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -21.004 -24.636 -19.224 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -20.601 -20.790 -21.017 1.00 0.00 H new ATOM 0 HH TYR A 85 -21.953 -22.350 -21.799 1.00 0.00 H new ATOM 1288 N LYS A 86 -16.182 -24.854 -17.476 1.00 0.00 N ATOM 1289 CA LYS A 86 -15.533 -25.709 -18.463 1.00 0.00 C ATOM 1290 C LYS A 86 -14.380 -24.977 -19.143 1.00 0.00 C ATOM 1291 O LYS A 86 -14.332 -24.877 -20.368 1.00 0.00 O ATOM 1292 CB LYS A 86 -16.546 -26.173 -19.512 1.00 0.00 C ATOM 1293 CG LYS A 86 -17.965 -26.280 -18.982 1.00 0.00 C ATOM 1294 CD LYS A 86 -18.100 -27.410 -17.975 1.00 0.00 C ATOM 1295 CE LYS A 86 -19.280 -27.187 -17.042 1.00 0.00 C ATOM 1296 NZ LYS A 86 -18.886 -26.433 -15.820 1.00 0.00 N ATOM 0 H LYS A 86 -16.287 -25.279 -16.555 1.00 0.00 H new ATOM 0 HA LYS A 86 -15.132 -26.580 -17.944 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -16.532 -25.477 -20.351 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -16.237 -27.144 -19.898 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -18.252 -25.338 -18.514 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -18.653 -26.446 -19.811 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -18.225 -28.356 -18.502 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -17.183 -27.490 -17.391 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -20.062 -26.641 -17.570 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -19.702 -28.150 -16.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -19.515 -26.693 -15.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -17.904 -26.667 -15.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -18.963 -25.412 -16.002 1.00 0.00 H new ATOM 1310 N GLY A 87 -13.452 -24.468 -18.338 1.00 0.00 N ATOM 1311 CA GLY A 87 -12.311 -23.753 -18.881 1.00 0.00 C ATOM 1312 C GLY A 87 -12.100 -22.407 -18.215 1.00 0.00 C ATOM 1313 O GLY A 87 -11.280 -22.278 -17.305 1.00 0.00 O ATOM 0 H GLY A 87 -13.470 -24.538 -17.321 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -11.414 -24.360 -18.759 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -12.454 -23.607 -19.952 1.00 0.00 H new ATOM 1317 N THR A 88 -12.840 -21.401 -18.670 1.00 0.00 N ATOM 1318 CA THR A 88 -12.729 -20.058 -18.114 1.00 0.00 C ATOM 1319 C THR A 88 -13.466 -19.950 -16.784 1.00 0.00 C ATOM 1320 O THR A 88 -14.631 -20.332 -16.676 1.00 0.00 O ATOM 1321 CB THR A 88 -13.287 -19.000 -19.085 1.00 0.00 C ATOM 1322 OG1 THR A 88 -14.577 -19.402 -19.558 1.00 0.00 O ATOM 1323 CG2 THR A 88 -12.348 -18.800 -20.265 1.00 0.00 C ATOM 0 H THR A 88 -13.523 -21.491 -19.422 1.00 0.00 H new ATOM 0 HA THR A 88 -11.667 -19.869 -17.954 1.00 0.00 H new ATOM 0 HB THR A 88 -13.375 -18.056 -18.548 1.00 0.00 H new ATOM 0 HG1 THR A 88 -15.087 -19.799 -18.821 1.00 0.00 H new ATOM 0 HG21 THR A 88 -12.763 -18.049 -20.937 1.00 0.00 H new ATOM 0 HG22 THR A 88 -11.375 -18.466 -19.904 1.00 0.00 H new ATOM 0 HG23 THR A 88 -12.232 -19.742 -20.801 1.00 0.00 H new ATOM 1331 N VAL A 89 -12.780 -19.426 -15.773 1.00 0.00 N ATOM 1332 CA VAL A 89 -13.370 -19.266 -14.450 1.00 0.00 C ATOM 1333 C VAL A 89 -13.449 -17.795 -14.058 1.00 0.00 C ATOM 1334 O VAL A 89 -12.462 -17.065 -14.145 1.00 0.00 O ATOM 1335 CB VAL A 89 -12.566 -20.029 -13.380 1.00 0.00 C ATOM 1336 CG1 VAL A 89 -11.096 -20.095 -13.764 1.00 0.00 C ATOM 1337 CG2 VAL A 89 -12.742 -19.377 -12.017 1.00 0.00 C ATOM 0 H VAL A 89 -11.815 -19.105 -15.846 1.00 0.00 H new ATOM 0 HA VAL A 89 -14.377 -19.680 -14.501 1.00 0.00 H new ATOM 0 HB VAL A 89 -12.947 -21.049 -13.321 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -10.544 -20.637 -12.997 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -10.992 -20.610 -14.719 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -10.697 -19.084 -13.852 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -12.167 -19.929 -11.273 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -12.388 -18.347 -12.058 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -13.797 -19.388 -11.742 1.00 0.00 H new ATOM 1347 N TRP A 90 -14.630 -17.367 -13.626 1.00 0.00 N ATOM 1348 CA TRP A 90 -14.838 -15.982 -13.219 1.00 0.00 C ATOM 1349 C TRP A 90 -15.040 -15.881 -11.711 1.00 0.00 C ATOM 1350 O TRP A 90 -15.572 -16.798 -11.084 1.00 0.00 O ATOM 1351 CB TRP A 90 -16.045 -15.390 -13.949 1.00 0.00 C ATOM 1352 CG TRP A 90 -16.054 -15.685 -15.418 1.00 0.00 C ATOM 1353 CD1 TRP A 90 -16.036 -16.917 -16.007 1.00 0.00 C ATOM 1354 CD2 TRP A 90 -16.080 -14.729 -16.484 1.00 0.00 C ATOM 1355 NE1 TRP A 90 -16.050 -16.784 -17.375 1.00 0.00 N ATOM 1356 CE2 TRP A 90 -16.078 -15.452 -17.692 1.00 0.00 C ATOM 1357 CE3 TRP A 90 -16.108 -13.332 -16.534 1.00 0.00 C ATOM 1358 CZ2 TRP A 90 -16.101 -14.824 -18.935 1.00 0.00 C ATOM 1359 CZ3 TRP A 90 -16.130 -12.711 -17.768 1.00 0.00 C ATOM 1360 CH2 TRP A 90 -16.128 -13.456 -18.955 1.00 0.00 C ATOM 0 H TRP A 90 -15.457 -17.958 -13.549 1.00 0.00 H new ATOM 0 HA TRP A 90 -13.947 -15.414 -13.485 1.00 0.00 H new ATOM 0 HB2 TRP A 90 -16.959 -15.781 -13.502 1.00 0.00 H new ATOM 0 HB3 TRP A 90 -16.055 -14.310 -13.803 1.00 0.00 H new ATOM 0 HD1 TRP A 90 -16.014 -17.857 -15.476 1.00 0.00 H new ATOM 0 HE1 TRP A 90 -16.041 -17.553 -18.045 1.00 0.00 H new ATOM 0 HE3 TRP A 90 -16.112 -12.749 -15.625 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 -16.098 -15.397 -19.851 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 -16.149 -11.632 -17.819 1.00 0.00 H new ATOM 0 HH2 TRP A 90 -16.148 -12.941 -19.904 1.00 0.00 H new ATOM 1371 N HIS A 91 -14.613 -14.762 -11.134 1.00 0.00 N ATOM 1372 CA HIS A 91 -14.749 -14.543 -9.699 1.00 0.00 C ATOM 1373 C HIS A 91 -16.207 -14.661 -9.266 1.00 0.00 C ATOM 1374 O HIS A 91 -17.116 -14.257 -9.992 1.00 0.00 O ATOM 1375 CB HIS A 91 -14.202 -13.167 -9.318 1.00 0.00 C ATOM 1376 CG HIS A 91 -12.706 -13.099 -9.306 1.00 0.00 C ATOM 1377 ND1 HIS A 91 -11.993 -12.097 -9.931 1.00 0.00 N ATOM 1378 CD2 HIS A 91 -11.787 -13.915 -8.738 1.00 0.00 C ATOM 1379 CE1 HIS A 91 -10.700 -12.301 -9.750 1.00 0.00 C ATOM 1380 NE2 HIS A 91 -10.549 -13.398 -9.029 1.00 0.00 N ATOM 0 H HIS A 91 -14.170 -13.994 -11.638 1.00 0.00 H new ATOM 0 HA HIS A 91 -14.172 -15.311 -9.184 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -14.585 -12.426 -10.019 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -14.578 -12.896 -8.331 1.00 0.00 H new ATOM 0 HD1 HIS A 91 -12.400 -11.320 -10.452 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -11.990 -14.806 -8.163 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -9.903 -11.678 -10.127 1.00 0.00 H new ATOM 1388 N LYS A 92 -16.424 -15.220 -8.080 1.00 0.00 N ATOM 1389 CA LYS A 92 -17.771 -15.392 -7.550 1.00 0.00 C ATOM 1390 C LYS A 92 -18.589 -14.115 -7.716 1.00 0.00 C ATOM 1391 O LYS A 92 -19.807 -14.164 -7.883 1.00 0.00 O ATOM 1392 CB LYS A 92 -17.713 -15.784 -6.072 1.00 0.00 C ATOM 1393 CG LYS A 92 -19.078 -16.051 -5.460 1.00 0.00 C ATOM 1394 CD LYS A 92 -19.601 -17.426 -5.842 1.00 0.00 C ATOM 1395 CE LYS A 92 -21.080 -17.568 -5.519 1.00 0.00 C ATOM 1396 NZ LYS A 92 -21.938 -16.901 -6.538 1.00 0.00 N ATOM 0 H LYS A 92 -15.683 -15.562 -7.468 1.00 0.00 H new ATOM 0 HA LYS A 92 -18.257 -16.189 -8.113 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -17.095 -16.676 -5.965 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -17.223 -14.988 -5.512 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -19.012 -15.974 -4.375 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -19.782 -15.288 -5.792 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -19.442 -17.594 -6.907 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -19.036 -18.192 -5.311 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -21.339 -18.625 -5.462 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -21.280 -17.137 -4.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -22.939 -17.021 -6.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -21.709 -15.887 -6.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -21.766 -17.329 -7.470 1.00 0.00 H new ATOM 1410 N ASP A 93 -17.910 -12.974 -7.672 1.00 0.00 N ATOM 1411 CA ASP A 93 -18.573 -11.683 -7.820 1.00 0.00 C ATOM 1412 C ASP A 93 -18.779 -11.344 -9.293 1.00 0.00 C ATOM 1413 O ASP A 93 -19.854 -10.898 -9.694 1.00 0.00 O ATOM 1414 CB ASP A 93 -17.756 -10.584 -7.140 1.00 0.00 C ATOM 1415 CG ASP A 93 -16.282 -10.658 -7.490 1.00 0.00 C ATOM 1416 OD1 ASP A 93 -15.573 -11.496 -6.895 1.00 0.00 O ATOM 1417 OD2 ASP A 93 -15.838 -9.877 -8.358 1.00 0.00 O ATOM 0 H ASP A 93 -16.901 -12.916 -7.535 1.00 0.00 H new ATOM 0 HA ASP A 93 -19.550 -11.747 -7.340 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -18.148 -9.610 -7.433 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -17.874 -10.663 -6.059 1.00 0.00 H new ATOM 1422 N CYS A 94 -17.741 -11.558 -10.094 1.00 0.00 N ATOM 1423 CA CYS A 94 -17.806 -11.274 -11.523 1.00 0.00 C ATOM 1424 C CYS A 94 -18.898 -12.102 -12.193 1.00 0.00 C ATOM 1425 O CYS A 94 -19.603 -11.619 -13.079 1.00 0.00 O ATOM 1426 CB CYS A 94 -16.456 -11.561 -12.183 1.00 0.00 C ATOM 1427 SG CYS A 94 -15.137 -10.393 -11.717 1.00 0.00 S ATOM 0 H CYS A 94 -16.844 -11.927 -9.778 1.00 0.00 H new ATOM 0 HA CYS A 94 -18.047 -10.218 -11.648 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -16.142 -12.571 -11.919 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -16.581 -11.538 -13.266 1.00 0.00 H new ATOM 0 HG CYS A 94 -15.242 -10.101 -10.455 1.00 0.00 H new ATOM 1432 N PHE A 95 -19.033 -13.352 -11.763 1.00 0.00 N ATOM 1433 CA PHE A 95 -20.038 -14.249 -12.322 1.00 0.00 C ATOM 1434 C PHE A 95 -21.376 -14.078 -11.607 1.00 0.00 C ATOM 1435 O PHE A 95 -21.631 -14.715 -10.585 1.00 0.00 O ATOM 1436 CB PHE A 95 -19.572 -15.702 -12.216 1.00 0.00 C ATOM 1437 CG PHE A 95 -20.092 -16.580 -13.317 1.00 0.00 C ATOM 1438 CD1 PHE A 95 -21.432 -16.553 -13.670 1.00 0.00 C ATOM 1439 CD2 PHE A 95 -19.241 -17.434 -14.001 1.00 0.00 C ATOM 1440 CE1 PHE A 95 -21.913 -17.359 -14.684 1.00 0.00 C ATOM 1441 CE2 PHE A 95 -19.717 -18.243 -15.016 1.00 0.00 C ATOM 1442 CZ PHE A 95 -21.055 -18.206 -15.357 1.00 0.00 C ATOM 0 H PHE A 95 -18.459 -13.767 -11.029 1.00 0.00 H new ATOM 0 HA PHE A 95 -20.172 -13.995 -13.373 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -18.482 -15.727 -12.226 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -19.891 -16.109 -11.256 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -22.108 -15.894 -13.146 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -18.194 -17.468 -13.738 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -22.959 -17.327 -14.950 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -19.043 -18.903 -15.542 1.00 0.00 H new ATOM 0 HZ PHE A 95 -21.429 -18.838 -16.148 1.00 0.00 H new