USER MOD reduce.3.24.130724 H: found=0, std=0, add=660, rem=0, adj=25 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 170:sc= -0.605 USER MOD Set 1.2: A 72 CYS SG : rot -46:sc= 0.124 USER MOD Set 1.3: A 82 ASN : amide:sc= -2.21! C(o=-3.7!,f=-8.1!) USER MOD Set 1.4: A 91 HIS : no HE2:sc= -0.189 K(o=-3.7,f=-7.6) USER MOD Set 1.5: A 94 CYS SG : rot -170:sc= -0.848 USER MOD Set 2.1: A 36 CYS SG : rot 155:sc= -0.617 USER MOD Set 2.2: A 39 CYS SG : rot -53:sc= 0.958 USER MOD Set 2.3: A 57 CYS SG : rot -128:sc= -0.184 USER MOD Set 2.4: A 60 CYS SG : rot 86:sc= -1.29 USER MOD Set 3.1: A 47 THR OG1 : rot -110:sc= -2.05! USER MOD Set 3.2: A 58 ASN : amide:sc= -2.73! C(o=-4.8!,f=-9.5!) USER MOD Set 4.1: A 8 CYS SG : rot 150:sc= 1.1 USER MOD Set 4.2: A 11 CYS SG : rot -53:sc= -0.643 USER MOD Set 4.3: A 30 HIS : no HE2:sc= -1.31! C(o=-2.1!,f=-8.4!) USER MOD Set 4.4: A 33 CYS SG : rot 180:sc= -1.26 USER MOD Single : A 13 LYS NZ :NH3+ -162:sc= -0.0184 (180deg=-0.191) USER MOD Single : A 19 SER OG : rot -10:sc= 0.813! USER MOD Single : A 20 LYS NZ :NH3+ 155:sc= 0.107 (180deg=0.00311) USER MOD Single : A 23 HIS : no HD1:sc= -1.91 K(o=-1.9,f=-0.46) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -0.983 K(o=-0.98,f=-5.3!) USER MOD Single : A 32 THR OG1 : rot -21:sc= 0.106 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 HIS : no HD1:sc= -0.755 X(o=-0.76,f=-0.31) USER MOD Single : A 45 ASN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 51 LYS NZ :NH3+ -157:sc= -0.0643 (180deg=-0.409) USER MOD Single : A 53 ASN : amide:sc= -0.149 X(o=-0.15,f=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot -30:sc= 0.403 USER MOD Single : A 68 LYS NZ :NH3+ -163:sc= -0.0336 (180deg=-0.262) 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= -0.333 K(o=-0.33,f=-2.5!) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0531) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0608) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -4.585 17.532 -12.800 1.00 0.00 N ATOM 60 CA GLY A 7 -5.146 16.966 -11.587 1.00 0.00 C ATOM 61 C GLY A 7 -4.925 15.470 -11.490 1.00 0.00 C ATOM 62 O GLY A 7 -4.426 14.846 -12.427 1.00 0.00 O ATOM 0 HA2 GLY A 7 -4.698 17.453 -10.721 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.215 17.175 -11.553 1.00 0.00 H new ATOM 66 N CYS A 8 -5.296 14.891 -10.352 1.00 0.00 N ATOM 67 CA CYS A 8 -5.135 13.459 -10.134 1.00 0.00 C ATOM 68 C CYS A 8 -6.403 12.703 -10.521 1.00 0.00 C ATOM 69 O CYS A 8 -7.514 13.207 -10.354 1.00 0.00 O ATOM 70 CB CYS A 8 -4.788 13.180 -8.670 1.00 0.00 C ATOM 71 SG CYS A 8 -4.250 11.470 -8.346 1.00 0.00 S ATOM 0 H CYS A 8 -5.710 15.393 -9.567 1.00 0.00 H new ATOM 0 HA CYS A 8 -4.319 13.111 -10.767 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -3.998 13.863 -8.358 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -5.660 13.398 -8.053 1.00 0.00 H new ATOM 0 HG CYS A 8 -3.416 11.459 -7.349 1.00 0.00 H new ATOM 76 N VAL A 9 -6.229 11.491 -11.038 1.00 0.00 N ATOM 77 CA VAL A 9 -7.358 10.665 -11.447 1.00 0.00 C ATOM 78 C VAL A 9 -7.738 9.672 -10.353 1.00 0.00 C ATOM 79 O VAL A 9 -8.810 9.069 -10.394 1.00 0.00 O ATOM 80 CB VAL A 9 -7.048 9.891 -12.742 1.00 0.00 C ATOM 81 CG1 VAL A 9 -6.578 10.841 -13.832 1.00 0.00 C ATOM 82 CG2 VAL A 9 -6.009 8.811 -12.480 1.00 0.00 C ATOM 0 H VAL A 9 -5.316 11.059 -11.183 1.00 0.00 H new ATOM 0 HA VAL A 9 -8.194 11.340 -11.628 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.963 9.408 -13.085 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -6.364 10.276 -14.739 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -7.358 11.574 -14.037 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -5.675 11.355 -13.502 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.801 8.274 -13.405 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.091 9.270 -12.114 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -6.389 8.114 -11.733 1.00 0.00 H new ATOM 92 N GLU A 10 -6.851 9.509 -9.376 1.00 0.00 N ATOM 93 CA GLU A 10 -7.094 8.589 -8.271 1.00 0.00 C ATOM 94 C GLU A 10 -7.886 9.271 -7.159 1.00 0.00 C ATOM 95 O GLU A 10 -8.951 8.800 -6.762 1.00 0.00 O ATOM 96 CB GLU A 10 -5.769 8.060 -7.718 1.00 0.00 C ATOM 97 CG GLU A 10 -5.875 6.675 -7.104 1.00 0.00 C ATOM 98 CD GLU A 10 -6.812 6.635 -5.912 1.00 0.00 C ATOM 99 OE1 GLU A 10 -8.034 6.488 -6.122 1.00 0.00 O ATOM 100 OE2 GLU A 10 -6.321 6.751 -4.769 1.00 0.00 O ATOM 0 H GLU A 10 -5.959 10.001 -9.327 1.00 0.00 H new ATOM 0 HA GLU A 10 -7.681 7.753 -8.651 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -5.033 8.036 -8.522 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -5.396 8.754 -6.965 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -6.225 5.972 -7.860 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -4.884 6.342 -6.794 1.00 0.00 H new ATOM 107 N CYS A 11 -7.356 10.383 -6.661 1.00 0.00 N ATOM 108 CA CYS A 11 -8.011 11.131 -5.594 1.00 0.00 C ATOM 109 C CYS A 11 -8.874 12.252 -6.166 1.00 0.00 C ATOM 110 O CYS A 11 -9.538 12.978 -5.426 1.00 0.00 O ATOM 111 CB CYS A 11 -6.969 11.712 -4.637 1.00 0.00 C ATOM 112 SG CYS A 11 -5.695 12.728 -5.452 1.00 0.00 S ATOM 0 H CYS A 11 -6.475 10.786 -6.979 1.00 0.00 H new ATOM 0 HA CYS A 11 -8.656 10.444 -5.045 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -7.478 12.319 -3.888 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -6.482 10.894 -4.107 1.00 0.00 H new ATOM 0 HG CYS A 11 -5.157 12.052 -6.423 1.00 0.00 H new ATOM 117 N ARG A 12 -8.858 12.387 -7.488 1.00 0.00 N ATOM 118 CA ARG A 12 -9.638 13.420 -8.160 1.00 0.00 C ATOM 119 C ARG A 12 -9.350 14.794 -7.561 1.00 0.00 C ATOM 120 O ARG A 12 -10.213 15.673 -7.554 1.00 0.00 O ATOM 121 CB ARG A 12 -11.132 13.109 -8.056 1.00 0.00 C ATOM 122 CG ARG A 12 -11.663 12.277 -9.212 1.00 0.00 C ATOM 123 CD ARG A 12 -11.689 13.074 -10.507 1.00 0.00 C ATOM 124 NE ARG A 12 -12.277 12.313 -11.606 1.00 0.00 N ATOM 125 CZ ARG A 12 -12.584 12.842 -12.785 1.00 0.00 C ATOM 126 NH1 ARG A 12 -12.359 14.128 -13.017 1.00 0.00 N ATOM 127 NH2 ARG A 12 -13.116 12.084 -13.736 1.00 0.00 N ATOM 0 H ARG A 12 -8.314 11.794 -8.115 1.00 0.00 H new ATOM 0 HA ARG A 12 -9.349 13.433 -9.211 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -11.320 12.580 -7.122 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -11.687 14.046 -8.009 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -11.040 11.392 -9.341 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -12.669 11.928 -8.978 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -12.258 13.992 -10.357 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -10.673 13.368 -10.772 1.00 0.00 H new ATOM 0 HE ARG A 12 -12.462 11.321 -11.460 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -11.949 14.713 -12.289 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -12.596 14.532 -13.923 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -13.290 11.094 -13.562 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -13.351 12.491 -14.641 1.00 0.00 H new ATOM 141 N LYS A 13 -8.133 14.972 -7.059 1.00 0.00 N ATOM 142 CA LYS A 13 -7.730 16.238 -6.459 1.00 0.00 C ATOM 143 C LYS A 13 -6.686 16.941 -7.321 1.00 0.00 C ATOM 144 O LYS A 13 -5.972 16.317 -8.106 1.00 0.00 O ATOM 145 CB LYS A 13 -7.173 16.004 -5.053 1.00 0.00 C ATOM 146 CG LYS A 13 -8.240 15.683 -4.021 1.00 0.00 C ATOM 147 CD LYS A 13 -8.738 16.939 -3.325 1.00 0.00 C ATOM 148 CE LYS A 13 -7.843 17.320 -2.156 1.00 0.00 C ATOM 149 NZ LYS A 13 -8.000 16.384 -1.009 1.00 0.00 N ATOM 0 H LYS A 13 -7.408 14.255 -7.056 1.00 0.00 H new ATOM 0 HA LYS A 13 -8.610 16.877 -6.393 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -6.455 15.185 -5.088 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -6.628 16.893 -4.735 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -9.076 15.179 -4.505 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -7.836 14.992 -3.281 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -8.775 17.762 -4.039 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -9.756 16.780 -2.969 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -6.803 17.324 -2.481 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -8.080 18.334 -1.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -7.627 16.827 -0.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -9.008 16.163 -0.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -7.476 15.507 -1.202 1.00 0.00 H new ATOM 163 N PRO A 14 -6.592 18.271 -7.171 1.00 0.00 N ATOM 164 CA PRO A 14 -5.637 19.087 -7.926 1.00 0.00 C ATOM 165 C PRO A 14 -4.195 18.838 -7.496 1.00 0.00 C ATOM 166 O PRO A 14 -3.913 18.663 -6.310 1.00 0.00 O ATOM 167 CB PRO A 14 -6.054 20.521 -7.593 1.00 0.00 C ATOM 168 CG PRO A 14 -6.732 20.421 -6.270 1.00 0.00 C ATOM 169 CD PRO A 14 -7.412 19.080 -6.253 1.00 0.00 C ATOM 0 HA PRO A 14 -5.659 18.859 -8.992 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -5.190 21.184 -7.546 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -6.724 20.925 -8.352 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -6.012 20.504 -5.456 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -7.455 21.227 -6.140 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -7.433 18.653 -5.250 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -8.446 19.149 -6.592 1.00 0.00 H new ATOM 177 N ILE A 15 -3.287 18.824 -8.466 1.00 0.00 N ATOM 178 CA ILE A 15 -1.874 18.599 -8.186 1.00 0.00 C ATOM 179 C ILE A 15 -1.082 19.898 -8.278 1.00 0.00 C ATOM 180 O ILE A 15 -1.304 20.712 -9.173 1.00 0.00 O ATOM 181 CB ILE A 15 -1.266 17.569 -9.156 1.00 0.00 C ATOM 182 CG1 ILE A 15 -2.017 16.240 -9.060 1.00 0.00 C ATOM 183 CG2 ILE A 15 0.213 17.371 -8.858 1.00 0.00 C ATOM 184 CD1 ILE A 15 -1.701 15.284 -10.190 1.00 0.00 C ATOM 0 H ILE A 15 -3.504 18.966 -9.452 1.00 0.00 H new ATOM 0 HA ILE A 15 -1.811 18.210 -7.170 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.365 17.947 -10.174 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.773 15.762 -8.111 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.089 16.437 -9.051 1.00 0.00 H new ATOM 0 HG21 ILE A 15 0.629 16.640 -9.551 1.00 0.00 H new ATOM 0 HG22 ILE A 15 0.737 18.320 -8.972 1.00 0.00 H new ATOM 0 HG23 ILE A 15 0.333 17.011 -7.836 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.269 14.363 -10.057 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.971 15.743 -11.141 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.635 15.057 -10.187 1.00 0.00 H new ATOM 196 N GLY A 16 -0.153 20.086 -7.345 1.00 0.00 N ATOM 197 CA GLY A 16 0.661 21.287 -7.340 1.00 0.00 C ATOM 198 C GLY A 16 1.840 21.193 -8.288 1.00 0.00 C ATOM 199 O GLY A 16 2.097 20.138 -8.867 1.00 0.00 O ATOM 0 H GLY A 16 0.050 19.428 -6.593 1.00 0.00 H new ATOM 0 HA2 GLY A 16 0.044 22.142 -7.617 1.00 0.00 H new ATOM 0 HA3 GLY A 16 1.025 21.471 -6.329 1.00 0.00 H new ATOM 203 N ALA A 17 2.557 22.301 -8.451 1.00 0.00 N ATOM 204 CA ALA A 17 3.714 22.339 -9.336 1.00 0.00 C ATOM 205 C ALA A 17 4.939 21.727 -8.664 1.00 0.00 C ATOM 206 O ALA A 17 5.674 20.953 -9.279 1.00 0.00 O ATOM 207 CB ALA A 17 4.004 23.770 -9.763 1.00 0.00 C ATOM 0 H ALA A 17 2.356 23.184 -7.981 1.00 0.00 H new ATOM 0 HA ALA A 17 3.484 21.747 -10.221 1.00 0.00 H new ATOM 0 HB1 ALA A 17 4.871 23.784 -10.424 1.00 0.00 H new ATOM 0 HB2 ALA A 17 3.140 24.175 -10.289 1.00 0.00 H new ATOM 0 HB3 ALA A 17 4.210 24.378 -8.882 1.00 0.00 H new ATOM 213 N ASP A 18 5.153 22.078 -7.401 1.00 0.00 N ATOM 214 CA ASP A 18 6.289 21.562 -6.646 1.00 0.00 C ATOM 215 C ASP A 18 6.113 20.077 -6.346 1.00 0.00 C ATOM 216 O ASP A 18 7.079 19.314 -6.351 1.00 0.00 O ATOM 217 CB ASP A 18 6.458 22.342 -5.341 1.00 0.00 C ATOM 218 CG ASP A 18 7.404 21.657 -4.375 1.00 0.00 C ATOM 219 OD1 ASP A 18 6.979 20.682 -3.719 1.00 0.00 O ATOM 220 OD2 ASP A 18 8.569 22.094 -4.276 1.00 0.00 O ATOM 0 H ASP A 18 4.555 22.718 -6.878 1.00 0.00 H new ATOM 0 HA ASP A 18 7.185 21.688 -7.254 1.00 0.00 H new ATOM 0 HB2 ASP A 18 6.832 23.341 -5.564 1.00 0.00 H new ATOM 0 HB3 ASP A 18 5.485 22.465 -4.866 1.00 0.00 H new ATOM 225 N SER A 19 4.874 19.674 -6.084 1.00 0.00 N ATOM 226 CA SER A 19 4.572 18.281 -5.776 1.00 0.00 C ATOM 227 C SER A 19 4.978 17.370 -6.930 1.00 0.00 C ATOM 228 O SER A 19 4.489 17.511 -8.051 1.00 0.00 O ATOM 229 CB SER A 19 3.080 18.114 -5.480 1.00 0.00 C ATOM 230 OG SER A 19 2.339 17.937 -6.675 1.00 0.00 O ATOM 0 H SER A 19 4.063 20.292 -6.079 1.00 0.00 H new ATOM 0 HA SER A 19 5.144 17.997 -4.893 1.00 0.00 H new ATOM 0 HB2 SER A 19 2.930 17.256 -4.825 1.00 0.00 H new ATOM 0 HB3 SER A 19 2.712 18.990 -4.947 1.00 0.00 H new ATOM 0 HG SER A 19 2.916 18.114 -7.447 1.00 0.00 H new ATOM 236 N LYS A 20 5.877 16.433 -6.648 1.00 0.00 N ATOM 237 CA LYS A 20 6.350 15.496 -7.660 1.00 0.00 C ATOM 238 C LYS A 20 5.241 14.532 -8.070 1.00 0.00 C ATOM 239 O LYS A 20 4.900 13.613 -7.327 1.00 0.00 O ATOM 240 CB LYS A 20 7.553 14.710 -7.134 1.00 0.00 C ATOM 241 CG LYS A 20 8.817 15.544 -7.009 1.00 0.00 C ATOM 242 CD LYS A 20 8.816 16.370 -5.733 1.00 0.00 C ATOM 243 CE LYS A 20 10.130 17.116 -5.552 1.00 0.00 C ATOM 244 NZ LYS A 20 10.186 18.349 -6.384 1.00 0.00 N ATOM 0 H LYS A 20 6.293 16.302 -5.726 1.00 0.00 H new ATOM 0 HA LYS A 20 6.652 16.069 -8.536 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.305 14.293 -6.158 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.747 13.869 -7.800 1.00 0.00 H new ATOM 0 HG2 LYS A 20 9.688 14.889 -7.019 1.00 0.00 H new ATOM 0 HG3 LYS A 20 8.905 16.205 -7.871 1.00 0.00 H new ATOM 0 HD2 LYS A 20 7.992 17.083 -5.760 1.00 0.00 H new ATOM 0 HD3 LYS A 20 8.645 15.718 -4.876 1.00 0.00 H new ATOM 0 HE2 LYS A 20 10.256 17.380 -4.502 1.00 0.00 H new ATOM 0 HE3 LYS A 20 10.959 16.461 -5.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 10.846 19.028 -5.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 10.513 18.107 -7.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 9.238 18.774 -6.439 1.00 0.00 H new ATOM 258 N GLU A 21 4.684 14.750 -9.257 1.00 0.00 N ATOM 259 CA GLU A 21 3.613 13.900 -9.765 1.00 0.00 C ATOM 260 C GLU A 21 4.126 12.984 -10.873 1.00 0.00 C ATOM 261 O GLU A 21 5.274 13.094 -11.304 1.00 0.00 O ATOM 262 CB GLU A 21 2.457 14.754 -10.289 1.00 0.00 C ATOM 263 CG GLU A 21 2.841 15.647 -11.458 1.00 0.00 C ATOM 264 CD GLU A 21 3.336 14.859 -12.655 1.00 0.00 C ATOM 265 OE1 GLU A 21 2.552 14.056 -13.203 1.00 0.00 O ATOM 266 OE2 GLU A 21 4.508 15.045 -13.044 1.00 0.00 O ATOM 0 H GLU A 21 4.956 15.507 -9.884 1.00 0.00 H new ATOM 0 HA GLU A 21 3.253 13.282 -8.942 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.642 14.098 -10.596 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.078 15.375 -9.477 1.00 0.00 H new ATOM 0 HG2 GLU A 21 1.978 16.245 -11.753 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.617 16.343 -11.139 1.00 0.00 H new ATOM 273 N VAL A 22 3.266 12.079 -11.330 1.00 0.00 N ATOM 274 CA VAL A 22 3.630 11.144 -12.388 1.00 0.00 C ATOM 275 C VAL A 22 2.669 11.247 -13.567 1.00 0.00 C ATOM 276 O VAL A 22 1.527 10.792 -13.493 1.00 0.00 O ATOM 277 CB VAL A 22 3.641 9.692 -11.874 1.00 0.00 C ATOM 278 CG1 VAL A 22 4.154 8.748 -12.952 1.00 0.00 C ATOM 279 CG2 VAL A 22 4.483 9.580 -10.612 1.00 0.00 C ATOM 0 H VAL A 22 2.312 11.974 -10.984 1.00 0.00 H new ATOM 0 HA VAL A 22 4.634 11.413 -12.717 1.00 0.00 H new ATOM 0 HB VAL A 22 2.619 9.404 -11.628 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.155 7.727 -12.571 1.00 0.00 H new ATOM 0 HG12 VAL A 22 3.507 8.808 -13.827 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.169 9.032 -13.231 1.00 0.00 H new ATOM 0 HG21 VAL A 22 4.480 8.547 -10.263 1.00 0.00 H new ATOM 0 HG22 VAL A 22 5.506 9.886 -10.829 1.00 0.00 H new ATOM 0 HG23 VAL A 22 4.067 10.226 -9.839 1.00 0.00 H new ATOM 289 N HIS A 23 3.139 11.848 -14.656 1.00 0.00 N ATOM 290 CA HIS A 23 2.321 12.010 -15.853 1.00 0.00 C ATOM 291 C HIS A 23 2.495 10.822 -16.794 1.00 0.00 C ATOM 292 O HIS A 23 3.593 10.563 -17.288 1.00 0.00 O ATOM 293 CB HIS A 23 2.689 13.306 -16.576 1.00 0.00 C ATOM 294 CG HIS A 23 2.148 13.388 -17.970 1.00 0.00 C ATOM 295 ND1 HIS A 23 2.950 13.543 -19.080 1.00 0.00 N ATOM 296 CD2 HIS A 23 0.876 13.335 -18.431 1.00 0.00 C ATOM 297 CE1 HIS A 23 2.196 13.583 -20.164 1.00 0.00 C ATOM 298 NE2 HIS A 23 0.933 13.458 -19.797 1.00 0.00 N ATOM 0 H HIS A 23 4.081 12.231 -14.734 1.00 0.00 H new ATOM 0 HA HIS A 23 1.276 12.058 -15.546 1.00 0.00 H new ATOM 0 HB2 HIS A 23 2.316 14.153 -16.000 1.00 0.00 H new ATOM 0 HB3 HIS A 23 3.775 13.398 -16.610 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -0.017 13.218 -17.835 1.00 0.00 H new ATOM 0 HE1 HIS A 23 2.551 13.698 -21.177 1.00 0.00 H new ATOM 0 HE2 HIS A 23 0.130 13.454 -20.427 1.00 0.00 H new ATOM 307 N TYR A 24 1.405 10.102 -17.037 1.00 0.00 N ATOM 308 CA TYR A 24 1.437 8.939 -17.917 1.00 0.00 C ATOM 309 C TYR A 24 0.074 8.705 -18.560 1.00 0.00 C ATOM 310 O TYR A 24 -0.961 8.795 -17.900 1.00 0.00 O ATOM 311 CB TYR A 24 1.867 7.696 -17.137 1.00 0.00 C ATOM 312 CG TYR A 24 2.365 6.571 -18.016 1.00 0.00 C ATOM 313 CD1 TYR A 24 3.551 6.695 -18.730 1.00 0.00 C ATOM 314 CD2 TYR A 24 1.651 5.386 -18.134 1.00 0.00 C ATOM 315 CE1 TYR A 24 4.011 5.671 -19.535 1.00 0.00 C ATOM 316 CE2 TYR A 24 2.103 4.356 -18.936 1.00 0.00 C ATOM 317 CZ TYR A 24 3.284 4.504 -19.635 1.00 0.00 C ATOM 318 OH TYR A 24 3.737 3.481 -20.435 1.00 0.00 O ATOM 0 H TYR A 24 0.488 10.303 -16.637 1.00 0.00 H new ATOM 0 HA TYR A 24 2.162 9.132 -18.708 1.00 0.00 H new ATOM 0 HB2 TYR A 24 2.653 7.972 -16.435 1.00 0.00 H new ATOM 0 HB3 TYR A 24 1.024 7.338 -16.547 1.00 0.00 H new ATOM 0 HD1 TYR A 24 4.123 7.608 -18.654 1.00 0.00 H new ATOM 0 HD2 TYR A 24 0.726 5.267 -17.589 1.00 0.00 H new ATOM 0 HE1 TYR A 24 4.935 5.784 -20.083 1.00 0.00 H new ATOM 0 HE2 TYR A 24 1.536 3.440 -19.016 1.00 0.00 H new ATOM 0 HH TYR A 24 3.109 2.730 -20.393 1.00 0.00 H new ATOM 328 N LYS A 25 0.082 8.401 -19.854 1.00 0.00 N ATOM 329 CA LYS A 25 -1.152 8.151 -20.589 1.00 0.00 C ATOM 330 C LYS A 25 -2.147 9.289 -20.385 1.00 0.00 C ATOM 331 O LYS A 25 -3.325 9.055 -20.116 1.00 0.00 O ATOM 332 CB LYS A 25 -1.776 6.827 -20.142 1.00 0.00 C ATOM 333 CG LYS A 25 -0.829 5.644 -20.242 1.00 0.00 C ATOM 334 CD LYS A 25 -0.636 5.204 -21.684 1.00 0.00 C ATOM 335 CE LYS A 25 0.603 5.835 -22.299 1.00 0.00 C ATOM 336 NZ LYS A 25 0.634 5.669 -23.779 1.00 0.00 N ATOM 0 H LYS A 25 0.930 8.322 -20.415 1.00 0.00 H new ATOM 0 HA LYS A 25 -0.908 8.091 -21.650 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -2.115 6.924 -19.110 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.659 6.628 -20.750 1.00 0.00 H new ATOM 0 HG2 LYS A 25 0.135 5.911 -19.810 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -1.221 4.812 -19.656 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -0.551 4.118 -21.726 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -1.514 5.478 -22.269 1.00 0.00 H new ATOM 0 HE2 LYS A 25 0.631 6.896 -22.052 1.00 0.00 H new ATOM 0 HE3 LYS A 25 1.495 5.383 -21.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 1.494 6.113 -24.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 0.633 4.656 -24.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -0.204 6.122 -24.197 1.00 0.00 H new ATOM 350 N ASN A 26 -1.666 10.521 -20.516 1.00 0.00 N ATOM 351 CA ASN A 26 -2.514 11.695 -20.347 1.00 0.00 C ATOM 352 C ASN A 26 -3.158 11.706 -18.963 1.00 0.00 C ATOM 353 O ASN A 26 -4.286 12.170 -18.796 1.00 0.00 O ATOM 354 CB ASN A 26 -3.598 11.726 -21.426 1.00 0.00 C ATOM 355 CG ASN A 26 -3.032 11.534 -22.820 1.00 0.00 C ATOM 356 OD1 ASN A 26 -2.246 10.618 -23.062 1.00 0.00 O ATOM 357 ND2 ASN A 26 -3.429 12.401 -23.744 1.00 0.00 N ATOM 0 H ASN A 26 -0.693 10.732 -20.739 1.00 0.00 H new ATOM 0 HA ASN A 26 -1.888 12.582 -20.444 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -4.331 10.945 -21.224 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -4.126 12.678 -21.379 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -3.081 12.323 -24.700 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -4.082 13.145 -23.498 1.00 0.00 H new ATOM 364 N ARG A 27 -2.433 11.192 -17.975 1.00 0.00 N ATOM 365 CA ARG A 27 -2.933 11.142 -16.607 1.00 0.00 C ATOM 366 C ARG A 27 -1.907 11.711 -15.632 1.00 0.00 C ATOM 367 O ARG A 27 -0.834 12.162 -16.035 1.00 0.00 O ATOM 368 CB ARG A 27 -3.277 9.703 -16.219 1.00 0.00 C ATOM 369 CG ARG A 27 -4.318 9.061 -17.122 1.00 0.00 C ATOM 370 CD ARG A 27 -5.111 7.992 -16.387 1.00 0.00 C ATOM 371 NE ARG A 27 -6.110 7.363 -17.247 1.00 0.00 N ATOM 372 CZ ARG A 27 -5.834 6.379 -18.096 1.00 0.00 C ATOM 373 NH1 ARG A 27 -4.597 5.914 -18.198 1.00 0.00 N ATOM 374 NH2 ARG A 27 -6.798 5.858 -18.845 1.00 0.00 N ATOM 0 H ARG A 27 -1.497 10.804 -18.097 1.00 0.00 H new ATOM 0 HA ARG A 27 -3.836 11.751 -16.555 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -2.368 9.102 -16.242 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -3.642 9.690 -15.192 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -4.998 9.826 -17.497 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -3.826 8.619 -17.989 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -4.429 7.231 -16.008 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -5.605 8.437 -15.523 1.00 0.00 H new ATOM 0 HE ARG A 27 -7.072 7.697 -17.193 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -3.854 6.312 -17.624 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -4.388 5.158 -18.851 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -7.751 6.213 -18.769 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -6.586 5.103 -19.497 1.00 0.00 H new ATOM 388 N PHE A 28 -2.243 11.688 -14.346 1.00 0.00 N ATOM 389 CA PHE A 28 -1.352 12.203 -13.313 1.00 0.00 C ATOM 390 C PHE A 28 -1.702 11.615 -11.950 1.00 0.00 C ATOM 391 O PHE A 28 -2.853 11.669 -11.516 1.00 0.00 O ATOM 392 CB PHE A 28 -1.429 13.730 -13.258 1.00 0.00 C ATOM 393 CG PHE A 28 -1.312 14.385 -14.604 1.00 0.00 C ATOM 394 CD1 PHE A 28 -2.429 14.554 -15.406 1.00 0.00 C ATOM 395 CD2 PHE A 28 -0.085 14.832 -15.068 1.00 0.00 C ATOM 396 CE1 PHE A 28 -2.324 15.156 -16.646 1.00 0.00 C ATOM 397 CE2 PHE A 28 0.026 15.436 -16.307 1.00 0.00 C ATOM 398 CZ PHE A 28 -1.095 15.599 -17.096 1.00 0.00 C ATOM 0 H PHE A 28 -3.126 11.318 -13.995 1.00 0.00 H new ATOM 0 HA PHE A 28 -0.334 11.907 -13.566 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -2.375 14.022 -12.802 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -0.635 14.103 -12.611 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -3.393 14.212 -15.059 1.00 0.00 H new ATOM 0 HD2 PHE A 28 0.795 14.707 -14.455 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -3.202 15.280 -17.263 1.00 0.00 H new ATOM 0 HE2 PHE A 28 0.988 15.780 -16.657 1.00 0.00 H new ATOM 0 HZ PHE A 28 -1.012 16.072 -18.063 1.00 0.00 H new ATOM 408 N TRP A 29 -0.703 11.054 -11.280 1.00 0.00 N ATOM 409 CA TRP A 29 -0.905 10.454 -9.965 1.00 0.00 C ATOM 410 C TRP A 29 0.055 11.050 -8.942 1.00 0.00 C ATOM 411 O TRP A 29 1.227 11.286 -9.239 1.00 0.00 O ATOM 412 CB TRP A 29 -0.715 8.938 -10.038 1.00 0.00 C ATOM 413 CG TRP A 29 -1.764 8.248 -10.857 1.00 0.00 C ATOM 414 CD1 TRP A 29 -2.944 7.728 -10.407 1.00 0.00 C ATOM 415 CD2 TRP A 29 -1.725 8.000 -12.266 1.00 0.00 C ATOM 416 NE1 TRP A 29 -3.641 7.172 -11.452 1.00 0.00 N ATOM 417 CE2 TRP A 29 -2.915 7.327 -12.604 1.00 0.00 C ATOM 418 CE3 TRP A 29 -0.802 8.283 -13.277 1.00 0.00 C ATOM 419 CZ2 TRP A 29 -3.203 6.933 -13.908 1.00 0.00 C ATOM 420 CZ3 TRP A 29 -1.089 7.892 -14.570 1.00 0.00 C ATOM 421 CH2 TRP A 29 -2.282 7.223 -14.877 1.00 0.00 C ATOM 0 H TRP A 29 0.256 11.001 -11.625 1.00 0.00 H new ATOM 0 HA TRP A 29 -1.925 10.670 -9.648 1.00 0.00 H new ATOM 0 HB2 TRP A 29 0.266 8.722 -10.460 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -0.725 8.528 -9.028 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -3.280 7.751 -9.381 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -4.551 6.717 -11.382 1.00 0.00 H new ATOM 0 HE3 TRP A 29 0.120 8.799 -13.051 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -4.121 6.417 -14.146 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -0.382 8.105 -15.358 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -2.478 6.931 -15.898 1.00 0.00 H new ATOM 432 N HIS A 30 -0.448 11.292 -7.735 1.00 0.00 N ATOM 433 CA HIS A 30 0.367 11.860 -6.667 1.00 0.00 C ATOM 434 C HIS A 30 1.476 10.895 -6.257 1.00 0.00 C ATOM 435 O HIS A 30 1.326 9.679 -6.371 1.00 0.00 O ATOM 436 CB HIS A 30 -0.504 12.198 -5.457 1.00 0.00 C ATOM 437 CG HIS A 30 -1.239 13.496 -5.591 1.00 0.00 C ATOM 438 ND1 HIS A 30 -2.614 13.589 -5.557 1.00 0.00 N ATOM 439 CD2 HIS A 30 -0.782 14.759 -5.759 1.00 0.00 C ATOM 440 CE1 HIS A 30 -2.972 14.853 -5.700 1.00 0.00 C ATOM 441 NE2 HIS A 30 -1.878 15.583 -5.824 1.00 0.00 N ATOM 0 H HIS A 30 -1.415 11.104 -7.473 1.00 0.00 H new ATOM 0 HA HIS A 30 0.826 12.775 -7.042 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -1.226 11.396 -5.304 1.00 0.00 H new ATOM 0 HB3 HIS A 30 0.124 12.236 -4.567 1.00 0.00 H new ATOM 0 HD1 HIS A 30 -3.255 12.804 -5.440 1.00 0.00 H new ATOM 0 HD2 HIS A 30 0.252 15.062 -5.829 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -3.986 15.226 -5.713 1.00 0.00 H new ATOM 449 N ASP A 31 2.587 11.446 -5.782 1.00 0.00 N ATOM 450 CA ASP A 31 3.721 10.635 -5.355 1.00 0.00 C ATOM 451 C ASP A 31 3.273 9.540 -4.392 1.00 0.00 C ATOM 452 O ASP A 31 3.988 8.561 -4.171 1.00 0.00 O ATOM 453 CB ASP A 31 4.783 11.512 -4.692 1.00 0.00 C ATOM 454 CG ASP A 31 4.187 12.492 -3.700 1.00 0.00 C ATOM 455 OD1 ASP A 31 3.493 12.041 -2.764 1.00 0.00 O ATOM 456 OD2 ASP A 31 4.416 13.709 -3.858 1.00 0.00 O ATOM 0 H ASP A 31 2.727 12.451 -5.683 1.00 0.00 H new ATOM 0 HA ASP A 31 4.152 10.164 -6.238 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.507 10.877 -4.181 1.00 0.00 H new ATOM 0 HB3 ASP A 31 5.327 12.062 -5.460 1.00 0.00 H new ATOM 461 N THR A 32 2.086 9.712 -3.819 1.00 0.00 N ATOM 462 CA THR A 32 1.544 8.740 -2.878 1.00 0.00 C ATOM 463 C THR A 32 0.432 7.917 -3.516 1.00 0.00 C ATOM 464 O THR A 32 0.056 6.861 -3.007 1.00 0.00 O ATOM 465 CB THR A 32 0.996 9.429 -1.613 1.00 0.00 C ATOM 466 OG1 THR A 32 0.503 8.446 -0.695 1.00 0.00 O ATOM 467 CG2 THR A 32 -0.116 10.404 -1.967 1.00 0.00 C ATOM 0 H THR A 32 1.482 10.516 -3.990 1.00 0.00 H new ATOM 0 HA THR A 32 2.365 8.080 -2.598 1.00 0.00 H new ATOM 0 HB THR A 32 1.809 9.985 -1.147 1.00 0.00 H new ATOM 0 HG1 THR A 32 0.306 7.617 -1.178 1.00 0.00 H new ATOM 0 HG21 THR A 32 -0.487 10.878 -1.058 1.00 0.00 H new ATOM 0 HG22 THR A 32 0.271 11.167 -2.643 1.00 0.00 H new ATOM 0 HG23 THR A 32 -0.930 9.867 -2.454 1.00 0.00 H new ATOM 475 N CYS A 33 -0.092 8.406 -4.636 1.00 0.00 N ATOM 476 CA CYS A 33 -1.162 7.715 -5.345 1.00 0.00 C ATOM 477 C CYS A 33 -0.593 6.722 -6.354 1.00 0.00 C ATOM 478 O CYS A 33 -1.032 5.574 -6.426 1.00 0.00 O ATOM 479 CB CYS A 33 -2.063 8.725 -6.060 1.00 0.00 C ATOM 480 SG CYS A 33 -3.152 9.668 -4.946 1.00 0.00 S ATOM 0 H CYS A 33 0.208 9.278 -5.072 1.00 0.00 H new ATOM 0 HA CYS A 33 -1.753 7.164 -4.613 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -1.438 9.423 -6.617 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -2.677 8.196 -6.789 1.00 0.00 H new ATOM 0 HG CYS A 33 -3.872 10.496 -5.642 1.00 0.00 H new ATOM 485 N PHE A 34 0.388 7.171 -7.130 1.00 0.00 N ATOM 486 CA PHE A 34 1.017 6.322 -8.135 1.00 0.00 C ATOM 487 C PHE A 34 1.645 5.090 -7.491 1.00 0.00 C ATOM 488 O PHE A 34 2.698 5.175 -6.859 1.00 0.00 O ATOM 489 CB PHE A 34 2.082 7.109 -8.903 1.00 0.00 C ATOM 490 CG PHE A 34 2.606 6.386 -10.111 1.00 0.00 C ATOM 491 CD1 PHE A 34 1.755 6.028 -11.144 1.00 0.00 C ATOM 492 CD2 PHE A 34 3.950 6.064 -10.213 1.00 0.00 C ATOM 493 CE1 PHE A 34 2.234 5.363 -12.257 1.00 0.00 C ATOM 494 CE2 PHE A 34 4.435 5.399 -11.323 1.00 0.00 C ATOM 495 CZ PHE A 34 3.576 5.048 -12.346 1.00 0.00 C ATOM 0 H PHE A 34 0.765 8.118 -7.082 1.00 0.00 H new ATOM 0 HA PHE A 34 0.245 5.993 -8.831 1.00 0.00 H new ATOM 0 HB2 PHE A 34 1.661 8.065 -9.215 1.00 0.00 H new ATOM 0 HB3 PHE A 34 2.913 7.330 -8.233 1.00 0.00 H new ATOM 0 HD1 PHE A 34 0.705 6.271 -11.079 1.00 0.00 H new ATOM 0 HD2 PHE A 34 4.626 6.336 -9.416 1.00 0.00 H new ATOM 0 HE1 PHE A 34 1.560 5.090 -13.056 1.00 0.00 H new ATOM 0 HE2 PHE A 34 5.485 5.154 -11.391 1.00 0.00 H new ATOM 0 HZ PHE A 34 3.953 4.528 -13.214 1.00 0.00 H new ATOM 505 N ARG A 35 0.990 3.945 -7.655 1.00 0.00 N ATOM 506 CA ARG A 35 1.482 2.696 -7.088 1.00 0.00 C ATOM 507 C ARG A 35 0.796 1.497 -7.737 1.00 0.00 C ATOM 508 O ARG A 35 -0.190 1.648 -8.460 1.00 0.00 O ATOM 509 CB ARG A 35 1.251 2.671 -5.576 1.00 0.00 C ATOM 510 CG ARG A 35 -0.209 2.518 -5.185 1.00 0.00 C ATOM 511 CD ARG A 35 -0.362 2.247 -3.696 1.00 0.00 C ATOM 512 NE ARG A 35 -1.654 2.699 -3.187 1.00 0.00 N ATOM 513 CZ ARG A 35 -1.968 2.724 -1.897 1.00 0.00 C ATOM 514 NH1 ARG A 35 -1.087 2.325 -0.989 1.00 0.00 N ATOM 515 NH2 ARG A 35 -3.165 3.148 -1.512 1.00 0.00 N ATOM 0 H ARG A 35 0.117 3.857 -8.176 1.00 0.00 H new ATOM 0 HA ARG A 35 2.552 2.633 -7.287 1.00 0.00 H new ATOM 0 HB2 ARG A 35 1.822 1.849 -5.143 1.00 0.00 H new ATOM 0 HB3 ARG A 35 1.640 3.592 -5.142 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.754 3.424 -5.449 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -0.655 1.701 -5.752 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -0.252 1.179 -3.509 1.00 0.00 H new ATOM 0 HD3 ARG A 35 0.438 2.750 -3.152 1.00 0.00 H new ATOM 0 HE ARG A 35 -2.354 3.013 -3.859 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -0.166 1.998 -1.281 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -1.331 2.345 0.001 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -3.845 3.455 -2.207 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -3.405 3.167 -0.521 1.00 0.00 H new ATOM 529 N CYS A 36 1.324 0.306 -7.475 1.00 0.00 N ATOM 530 CA CYS A 36 0.765 -0.919 -8.034 1.00 0.00 C ATOM 531 C CYS A 36 -0.658 -1.146 -7.531 1.00 0.00 C ATOM 532 O CYS A 36 -1.106 -0.492 -6.590 1.00 0.00 O ATOM 533 CB CYS A 36 1.644 -2.117 -7.671 1.00 0.00 C ATOM 534 SG CYS A 36 1.362 -3.587 -8.709 1.00 0.00 S ATOM 0 H CYS A 36 2.139 0.163 -6.879 1.00 0.00 H new ATOM 0 HA CYS A 36 0.736 -0.814 -9.119 1.00 0.00 H new ATOM 0 HB2 CYS A 36 2.691 -1.824 -7.752 1.00 0.00 H new ATOM 0 HB3 CYS A 36 1.466 -2.382 -6.629 1.00 0.00 H new ATOM 0 HG CYS A 36 2.436 -4.319 -8.726 1.00 0.00 H new ATOM 539 N ALA A 37 -1.362 -2.078 -8.165 1.00 0.00 N ATOM 540 CA ALA A 37 -2.732 -2.394 -7.780 1.00 0.00 C ATOM 541 C ALA A 37 -2.809 -3.747 -7.081 1.00 0.00 C ATOM 542 O ALA A 37 -3.843 -4.110 -6.521 1.00 0.00 O ATOM 543 CB ALA A 37 -3.640 -2.376 -9.001 1.00 0.00 C ATOM 0 H ALA A 37 -1.006 -2.627 -8.947 1.00 0.00 H new ATOM 0 HA ALA A 37 -3.070 -1.633 -7.077 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -4.660 -2.614 -8.699 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -3.618 -1.386 -9.457 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -3.294 -3.115 -9.723 1.00 0.00 H new ATOM 549 N LYS A 38 -1.707 -4.490 -7.119 1.00 0.00 N ATOM 550 CA LYS A 38 -1.649 -5.803 -6.488 1.00 0.00 C ATOM 551 C LYS A 38 -0.856 -5.747 -5.186 1.00 0.00 C ATOM 552 O LYS A 38 -1.303 -6.248 -4.154 1.00 0.00 O ATOM 553 CB LYS A 38 -1.015 -6.820 -7.440 1.00 0.00 C ATOM 554 CG LYS A 38 -1.506 -8.241 -7.226 1.00 0.00 C ATOM 555 CD LYS A 38 -1.293 -9.097 -8.464 1.00 0.00 C ATOM 556 CE LYS A 38 -2.379 -8.855 -9.502 1.00 0.00 C ATOM 557 NZ LYS A 38 -3.604 -9.652 -9.219 1.00 0.00 N ATOM 0 H LYS A 38 -0.843 -4.205 -7.580 1.00 0.00 H new ATOM 0 HA LYS A 38 -2.668 -6.114 -6.259 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -1.224 -6.523 -8.468 1.00 0.00 H new ATOM 0 HB3 LYS A 38 0.068 -6.796 -7.316 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -0.980 -8.685 -6.381 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -2.566 -8.226 -6.971 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -0.318 -8.875 -8.898 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -1.285 -10.150 -8.183 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -2.632 -7.795 -9.522 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -2.000 -9.111 -10.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -4.320 -9.459 -9.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -3.368 -10.665 -9.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -3.981 -9.389 -8.286 1.00 0.00 H new ATOM 571 N CYS A 39 0.321 -5.133 -5.242 1.00 0.00 N ATOM 572 CA CYS A 39 1.176 -5.010 -4.067 1.00 0.00 C ATOM 573 C CYS A 39 1.118 -3.595 -3.498 1.00 0.00 C ATOM 574 O CYS A 39 1.633 -3.329 -2.411 1.00 0.00 O ATOM 575 CB CYS A 39 2.620 -5.370 -4.421 1.00 0.00 C ATOM 576 SG CYS A 39 3.351 -4.321 -5.718 1.00 0.00 S ATOM 0 H CYS A 39 0.705 -4.713 -6.089 1.00 0.00 H new ATOM 0 HA CYS A 39 0.811 -5.703 -3.309 1.00 0.00 H new ATOM 0 HB2 CYS A 39 3.232 -5.297 -3.522 1.00 0.00 H new ATOM 0 HB3 CYS A 39 2.655 -6.410 -4.747 1.00 0.00 H new ATOM 0 HG CYS A 39 2.574 -4.315 -6.760 1.00 0.00 H new ATOM 581 N LEU A 40 0.487 -2.691 -4.239 1.00 0.00 N ATOM 582 CA LEU A 40 0.361 -1.303 -3.809 1.00 0.00 C ATOM 583 C LEU A 40 1.732 -0.681 -3.565 1.00 0.00 C ATOM 584 O LEU A 40 1.967 -0.058 -2.529 1.00 0.00 O ATOM 585 CB LEU A 40 -0.485 -1.217 -2.537 1.00 0.00 C ATOM 586 CG LEU A 40 -1.986 -1.449 -2.712 1.00 0.00 C ATOM 587 CD1 LEU A 40 -2.638 -0.245 -3.374 1.00 0.00 C ATOM 588 CD2 LEU A 40 -2.240 -2.710 -3.525 1.00 0.00 C ATOM 0 H LEU A 40 0.055 -2.894 -5.140 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.133 -0.746 -4.605 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.106 -1.947 -1.822 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.339 -0.232 -2.094 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.431 -1.581 -1.726 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.706 -0.428 -3.491 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.487 0.638 -2.753 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.189 -0.081 -4.354 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.314 -2.859 -3.639 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.781 -2.607 -4.508 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.807 -3.568 -3.010 1.00 0.00 H new ATOM 600 N HIS A 41 2.634 -0.853 -4.526 1.00 0.00 N ATOM 601 CA HIS A 41 3.982 -0.307 -4.417 1.00 0.00 C ATOM 602 C HIS A 41 4.162 0.885 -5.351 1.00 0.00 C ATOM 603 O HIS A 41 3.814 0.838 -6.531 1.00 0.00 O ATOM 604 CB HIS A 41 5.019 -1.383 -4.738 1.00 0.00 C ATOM 605 CG HIS A 41 6.431 -0.943 -4.505 1.00 0.00 C ATOM 606 ND1 HIS A 41 7.207 -1.418 -3.469 1.00 0.00 N ATOM 607 CD2 HIS A 41 7.209 -0.066 -5.183 1.00 0.00 C ATOM 608 CE1 HIS A 41 8.399 -0.852 -3.518 1.00 0.00 C ATOM 609 NE2 HIS A 41 8.426 -0.027 -4.550 1.00 0.00 N ATOM 0 H HIS A 41 2.456 -1.366 -5.389 1.00 0.00 H new ATOM 0 HA HIS A 41 4.128 0.032 -3.391 1.00 0.00 H new ATOM 0 HB2 HIS A 41 4.817 -2.264 -4.129 1.00 0.00 H new ATOM 0 HB3 HIS A 41 4.908 -1.683 -5.780 1.00 0.00 H new ATOM 0 HD2 HIS A 41 6.925 0.498 -6.059 1.00 0.00 H new ATOM 0 HE1 HIS A 41 9.213 -1.033 -2.832 1.00 0.00 H new ATOM 0 HE2 HIS A 41 9.222 0.546 -4.830 1.00 0.00 H new ATOM 618 N PRO A 42 4.718 1.981 -4.813 1.00 0.00 N ATOM 619 CA PRO A 42 4.957 3.207 -5.582 1.00 0.00 C ATOM 620 C PRO A 42 6.062 3.035 -6.618 1.00 0.00 C ATOM 621 O PRO A 42 7.220 2.795 -6.271 1.00 0.00 O ATOM 622 CB PRO A 42 5.377 4.219 -4.513 1.00 0.00 C ATOM 623 CG PRO A 42 5.939 3.392 -3.409 1.00 0.00 C ATOM 624 CD PRO A 42 5.157 2.108 -3.413 1.00 0.00 C ATOM 0 HA PRO A 42 4.079 3.509 -6.152 1.00 0.00 H new ATOM 0 HB2 PRO A 42 6.118 4.919 -4.900 1.00 0.00 H new ATOM 0 HB3 PRO A 42 4.527 4.810 -4.172 1.00 0.00 H new ATOM 0 HG2 PRO A 42 7.001 3.202 -3.565 1.00 0.00 H new ATOM 0 HG3 PRO A 42 5.844 3.904 -2.451 1.00 0.00 H new ATOM 0 HD2 PRO A 42 5.772 1.262 -3.106 1.00 0.00 H new ATOM 0 HD3 PRO A 42 4.310 2.151 -2.728 1.00 0.00 H new ATOM 632 N LEU A 43 5.699 3.159 -7.890 1.00 0.00 N ATOM 633 CA LEU A 43 6.662 3.019 -8.977 1.00 0.00 C ATOM 634 C LEU A 43 7.347 4.349 -9.274 1.00 0.00 C ATOM 635 O LEU A 43 7.820 4.580 -10.386 1.00 0.00 O ATOM 636 CB LEU A 43 5.966 2.498 -10.236 1.00 0.00 C ATOM 637 CG LEU A 43 5.375 1.091 -10.144 1.00 0.00 C ATOM 638 CD1 LEU A 43 6.260 0.196 -9.289 1.00 0.00 C ATOM 639 CD2 LEU A 43 3.962 1.141 -9.581 1.00 0.00 C ATOM 0 H LEU A 43 4.745 3.356 -8.194 1.00 0.00 H new ATOM 0 HA LEU A 43 7.422 2.303 -8.666 1.00 0.00 H new ATOM 0 HB2 LEU A 43 5.165 3.190 -10.497 1.00 0.00 H new ATOM 0 HB3 LEU A 43 6.683 2.516 -11.057 1.00 0.00 H new ATOM 0 HG LEU A 43 5.329 0.670 -11.149 1.00 0.00 H new ATOM 0 HD11 LEU A 43 5.824 -0.802 -9.234 1.00 0.00 H new ATOM 0 HD12 LEU A 43 7.253 0.134 -9.734 1.00 0.00 H new ATOM 0 HD13 LEU A 43 6.338 0.613 -8.285 1.00 0.00 H new ATOM 0 HD21 LEU A 43 3.558 0.130 -9.523 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.983 1.581 -8.584 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.332 1.747 -10.232 1.00 0.00 H new ATOM 651 N ALA A 44 7.397 5.219 -8.270 1.00 0.00 N ATOM 652 CA ALA A 44 8.028 6.524 -8.422 1.00 0.00 C ATOM 653 C ALA A 44 9.526 6.384 -8.671 1.00 0.00 C ATOM 654 O ALA A 44 10.118 7.167 -9.413 1.00 0.00 O ATOM 655 CB ALA A 44 7.774 7.380 -7.191 1.00 0.00 C ATOM 0 H ALA A 44 7.008 5.043 -7.343 1.00 0.00 H new ATOM 0 HA ALA A 44 7.586 7.014 -9.289 1.00 0.00 H new ATOM 0 HB1 ALA A 44 8.251 8.352 -7.319 1.00 0.00 H new ATOM 0 HB2 ALA A 44 6.701 7.517 -7.058 1.00 0.00 H new ATOM 0 HB3 ALA A 44 8.188 6.885 -6.312 1.00 0.00 H new ATOM 661 N ASN A 45 10.134 5.381 -8.045 1.00 0.00 N ATOM 662 CA ASN A 45 11.564 5.140 -8.198 1.00 0.00 C ATOM 663 C ASN A 45 11.820 3.797 -8.876 1.00 0.00 C ATOM 664 O ASN A 45 12.957 3.468 -9.212 1.00 0.00 O ATOM 665 CB ASN A 45 12.257 5.175 -6.834 1.00 0.00 C ATOM 666 CG ASN A 45 12.095 6.512 -6.138 1.00 0.00 C ATOM 667 OD1 ASN A 45 12.004 7.555 -6.785 1.00 0.00 O ATOM 668 ND2 ASN A 45 12.057 6.487 -4.810 1.00 0.00 N ATOM 0 H ASN A 45 9.659 4.723 -7.428 1.00 0.00 H new ATOM 0 HA ASN A 45 11.975 5.929 -8.828 1.00 0.00 H new ATOM 0 HB2 ASN A 45 11.848 4.387 -6.201 1.00 0.00 H new ATOM 0 HB3 ASN A 45 13.318 4.962 -6.963 1.00 0.00 H new ATOM 0 HD21 ASN A 45 11.949 7.356 -4.286 1.00 0.00 H new ATOM 0 HD22 ASN A 45 12.136 5.599 -4.314 1.00 0.00 H new ATOM 675 N GLU A 46 10.754 3.028 -9.075 1.00 0.00 N ATOM 676 CA GLU A 46 10.863 1.722 -9.713 1.00 0.00 C ATOM 677 C GLU A 46 10.023 1.666 -10.986 1.00 0.00 C ATOM 678 O GLU A 46 8.978 2.309 -11.083 1.00 0.00 O ATOM 679 CB GLU A 46 10.421 0.620 -8.748 1.00 0.00 C ATOM 680 CG GLU A 46 10.032 -0.676 -9.441 1.00 0.00 C ATOM 681 CD GLU A 46 10.299 -1.898 -8.584 1.00 0.00 C ATOM 682 OE1 GLU A 46 11.477 -2.295 -8.467 1.00 0.00 O ATOM 683 OE2 GLU A 46 9.330 -2.458 -8.031 1.00 0.00 O ATOM 0 H GLU A 46 9.806 3.287 -8.804 1.00 0.00 H new ATOM 0 HA GLU A 46 11.908 1.563 -9.981 1.00 0.00 H new ATOM 0 HB2 GLU A 46 11.230 0.418 -8.045 1.00 0.00 H new ATOM 0 HB3 GLU A 46 9.573 0.979 -8.164 1.00 0.00 H new ATOM 0 HG2 GLU A 46 8.974 -0.642 -9.699 1.00 0.00 H new ATOM 0 HG3 GLU A 46 10.586 -0.764 -10.376 1.00 0.00 H new ATOM 690 N THR A 47 10.489 0.892 -11.961 1.00 0.00 N ATOM 691 CA THR A 47 9.783 0.752 -13.229 1.00 0.00 C ATOM 692 C THR A 47 8.319 0.391 -13.006 1.00 0.00 C ATOM 693 O THR A 47 7.925 0.005 -11.905 1.00 0.00 O ATOM 694 CB THR A 47 10.435 -0.323 -14.119 1.00 0.00 C ATOM 695 OG1 THR A 47 10.641 -1.523 -13.367 1.00 0.00 O ATOM 696 CG2 THR A 47 11.763 0.168 -14.675 1.00 0.00 C ATOM 0 H THR A 47 11.352 0.352 -11.897 1.00 0.00 H new ATOM 0 HA THR A 47 9.844 1.717 -13.733 1.00 0.00 H new ATOM 0 HB THR A 47 9.764 -0.529 -14.953 1.00 0.00 H new ATOM 0 HG1 THR A 47 11.600 -1.654 -13.216 1.00 0.00 H new ATOM 0 HG21 THR A 47 12.205 -0.608 -15.300 1.00 0.00 H new ATOM 0 HG22 THR A 47 11.598 1.065 -15.272 1.00 0.00 H new ATOM 0 HG23 THR A 47 12.439 0.399 -13.852 1.00 0.00 H new ATOM 704 N PHE A 48 7.516 0.519 -14.057 1.00 0.00 N ATOM 705 CA PHE A 48 6.094 0.207 -13.976 1.00 0.00 C ATOM 706 C PHE A 48 5.591 -0.384 -15.290 1.00 0.00 C ATOM 707 O PHE A 48 6.252 -0.281 -16.323 1.00 0.00 O ATOM 708 CB PHE A 48 5.293 1.464 -13.630 1.00 0.00 C ATOM 709 CG PHE A 48 5.307 2.502 -14.715 1.00 0.00 C ATOM 710 CD1 PHE A 48 4.423 2.421 -15.780 1.00 0.00 C ATOM 711 CD2 PHE A 48 6.203 3.558 -14.671 1.00 0.00 C ATOM 712 CE1 PHE A 48 4.435 3.375 -16.780 1.00 0.00 C ATOM 713 CE2 PHE A 48 6.218 4.514 -15.669 1.00 0.00 C ATOM 714 CZ PHE A 48 5.332 4.423 -16.724 1.00 0.00 C ATOM 0 H PHE A 48 7.826 0.837 -14.975 1.00 0.00 H new ATOM 0 HA PHE A 48 5.955 -0.533 -13.188 1.00 0.00 H new ATOM 0 HB2 PHE A 48 4.261 1.182 -13.422 1.00 0.00 H new ATOM 0 HB3 PHE A 48 5.695 1.901 -12.716 1.00 0.00 H new ATOM 0 HD1 PHE A 48 3.718 1.604 -15.829 1.00 0.00 H new ATOM 0 HD2 PHE A 48 6.898 3.635 -13.848 1.00 0.00 H new ATOM 0 HE1 PHE A 48 3.743 3.301 -17.605 1.00 0.00 H new ATOM 0 HE2 PHE A 48 6.922 5.332 -15.624 1.00 0.00 H new ATOM 0 HZ PHE A 48 5.341 5.170 -17.504 1.00 0.00 H new ATOM 724 N VAL A 49 4.417 -1.006 -15.241 1.00 0.00 N ATOM 725 CA VAL A 49 3.824 -1.613 -16.426 1.00 0.00 C ATOM 726 C VAL A 49 2.314 -1.404 -16.454 1.00 0.00 C ATOM 727 O VAL A 49 1.626 -1.638 -15.461 1.00 0.00 O ATOM 728 CB VAL A 49 4.123 -3.123 -16.492 1.00 0.00 C ATOM 729 CG1 VAL A 49 3.610 -3.713 -17.797 1.00 0.00 C ATOM 730 CG2 VAL A 49 5.614 -3.378 -16.333 1.00 0.00 C ATOM 0 H VAL A 49 3.858 -1.102 -14.393 1.00 0.00 H new ATOM 0 HA VAL A 49 4.272 -1.123 -17.290 1.00 0.00 H new ATOM 0 HB VAL A 49 3.603 -3.614 -15.670 1.00 0.00 H new ATOM 0 HG11 VAL A 49 3.830 -4.780 -17.825 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.533 -3.563 -17.865 1.00 0.00 H new ATOM 0 HG13 VAL A 49 4.099 -3.219 -18.637 1.00 0.00 H new ATOM 0 HG21 VAL A 49 5.807 -4.450 -16.382 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.157 -2.874 -17.133 1.00 0.00 H new ATOM 0 HG23 VAL A 49 5.948 -2.993 -15.370 1.00 0.00 H new ATOM 740 N ALA A 50 1.805 -0.961 -17.599 1.00 0.00 N ATOM 741 CA ALA A 50 0.376 -0.723 -17.758 1.00 0.00 C ATOM 742 C ALA A 50 -0.232 -1.683 -18.775 1.00 0.00 C ATOM 743 O ALA A 50 0.080 -1.625 -19.964 1.00 0.00 O ATOM 744 CB ALA A 50 0.125 0.719 -18.176 1.00 0.00 C ATOM 0 H ALA A 50 2.361 -0.760 -18.430 1.00 0.00 H new ATOM 0 HA ALA A 50 -0.106 -0.901 -16.797 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -0.946 0.883 -18.291 1.00 0.00 H new ATOM 0 HB2 ALA A 50 0.515 1.392 -17.413 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.626 0.916 -19.124 1.00 0.00 H new ATOM 750 N LYS A 51 -1.101 -2.569 -18.299 1.00 0.00 N ATOM 751 CA LYS A 51 -1.753 -3.543 -19.166 1.00 0.00 C ATOM 752 C LYS A 51 -3.242 -3.645 -18.846 1.00 0.00 C ATOM 753 O LYS A 51 -3.636 -3.663 -17.680 1.00 0.00 O ATOM 754 CB LYS A 51 -1.093 -4.915 -19.013 1.00 0.00 C ATOM 755 CG LYS A 51 -0.001 -5.181 -20.035 1.00 0.00 C ATOM 756 CD LYS A 51 1.307 -4.517 -19.639 1.00 0.00 C ATOM 757 CE LYS A 51 2.502 -5.231 -20.252 1.00 0.00 C ATOM 758 NZ LYS A 51 2.687 -6.594 -19.681 1.00 0.00 N ATOM 0 H LYS A 51 -1.370 -2.632 -17.317 1.00 0.00 H new ATOM 0 HA LYS A 51 -1.642 -3.206 -20.197 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -0.670 -4.996 -18.012 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -1.857 -5.688 -19.100 1.00 0.00 H new ATOM 0 HG2 LYS A 51 0.151 -6.256 -20.135 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -0.317 -4.812 -21.011 1.00 0.00 H new ATOM 0 HD2 LYS A 51 1.300 -3.476 -19.961 1.00 0.00 H new ATOM 0 HD3 LYS A 51 1.401 -4.515 -18.553 1.00 0.00 H new ATOM 0 HE2 LYS A 51 2.367 -5.305 -21.331 1.00 0.00 H new ATOM 0 HE3 LYS A 51 3.403 -4.641 -20.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 3.676 -6.891 -19.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 2.455 -6.580 -18.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 2.060 -7.264 -20.171 1.00 0.00 H new ATOM 772 N ASP A 52 -4.062 -3.712 -19.888 1.00 0.00 N ATOM 773 CA ASP A 52 -5.507 -3.815 -19.719 1.00 0.00 C ATOM 774 C ASP A 52 -6.037 -2.667 -18.865 1.00 0.00 C ATOM 775 O ASP A 52 -6.872 -2.870 -17.984 1.00 0.00 O ATOM 776 CB ASP A 52 -5.873 -5.155 -19.077 1.00 0.00 C ATOM 777 CG ASP A 52 -5.939 -6.282 -20.089 1.00 0.00 C ATOM 778 OD1 ASP A 52 -7.024 -6.493 -20.672 1.00 0.00 O ATOM 779 OD2 ASP A 52 -4.907 -6.952 -20.300 1.00 0.00 O ATOM 0 H ASP A 52 -3.751 -3.697 -20.859 1.00 0.00 H new ATOM 0 HA ASP A 52 -5.968 -3.755 -20.705 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -5.137 -5.401 -18.311 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -6.837 -5.063 -18.576 1.00 0.00 H new ATOM 784 N ASN A 53 -5.544 -1.462 -19.131 1.00 0.00 N ATOM 785 CA ASN A 53 -5.967 -0.282 -18.386 1.00 0.00 C ATOM 786 C ASN A 53 -5.763 -0.482 -16.888 1.00 0.00 C ATOM 787 O ASN A 53 -6.593 -0.074 -16.076 1.00 0.00 O ATOM 788 CB ASN A 53 -7.437 0.030 -18.675 1.00 0.00 C ATOM 789 CG ASN A 53 -7.616 0.868 -19.925 1.00 0.00 C ATOM 790 OD1 ASN A 53 -8.165 1.969 -19.875 1.00 0.00 O ATOM 791 ND2 ASN A 53 -7.152 0.350 -21.056 1.00 0.00 N ATOM 0 H ASN A 53 -4.851 -1.277 -19.857 1.00 0.00 H new ATOM 0 HA ASN A 53 -5.354 0.559 -18.709 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -7.989 -0.904 -18.785 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -7.868 0.556 -17.823 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -7.244 0.868 -21.930 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -6.704 -0.566 -21.051 1.00 0.00 H new ATOM 798 N LYS A 54 -4.650 -1.114 -16.527 1.00 0.00 N ATOM 799 CA LYS A 54 -4.334 -1.368 -15.127 1.00 0.00 C ATOM 800 C LYS A 54 -2.841 -1.195 -14.866 1.00 0.00 C ATOM 801 O LYS A 54 -2.008 -1.684 -15.630 1.00 0.00 O ATOM 802 CB LYS A 54 -4.771 -2.780 -14.732 1.00 0.00 C ATOM 803 CG LYS A 54 -6.278 -2.968 -14.715 1.00 0.00 C ATOM 804 CD LYS A 54 -6.665 -4.316 -14.131 1.00 0.00 C ATOM 805 CE LYS A 54 -8.133 -4.351 -13.736 1.00 0.00 C ATOM 806 NZ LYS A 54 -8.350 -3.829 -12.358 1.00 0.00 N ATOM 0 H LYS A 54 -3.952 -1.459 -17.186 1.00 0.00 H new ATOM 0 HA LYS A 54 -4.877 -0.643 -14.521 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -4.332 -3.495 -15.428 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -4.373 -3.011 -13.744 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.738 -2.171 -14.130 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -6.667 -2.885 -15.730 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -6.465 -5.101 -14.860 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -6.047 -4.527 -13.258 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -8.714 -3.759 -14.444 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -8.501 -5.375 -13.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -9.363 -3.870 -12.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -7.816 -4.409 -11.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -8.022 -2.844 -12.304 1.00 0.00 H new ATOM 820 N ILE A 55 -2.511 -0.498 -13.784 1.00 0.00 N ATOM 821 CA ILE A 55 -1.118 -0.263 -13.423 1.00 0.00 C ATOM 822 C ILE A 55 -0.570 -1.407 -12.577 1.00 0.00 C ATOM 823 O ILE A 55 -1.197 -1.832 -11.605 1.00 0.00 O ATOM 824 CB ILE A 55 -0.952 1.058 -12.650 1.00 0.00 C ATOM 825 CG1 ILE A 55 -1.568 2.216 -13.437 1.00 0.00 C ATOM 826 CG2 ILE A 55 0.519 1.325 -12.368 1.00 0.00 C ATOM 827 CD1 ILE A 55 -0.859 2.505 -14.741 1.00 0.00 C ATOM 0 H ILE A 55 -3.189 -0.086 -13.142 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.556 -0.201 -14.355 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.475 0.973 -11.697 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.614 1.988 -13.644 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.554 3.113 -12.818 1.00 0.00 H new ATOM 0 HG21 ILE A 55 0.620 2.262 -11.821 1.00 0.00 H new ATOM 0 HG22 ILE A 55 0.929 0.510 -11.771 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.063 1.394 -13.310 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -1.350 3.337 -15.245 1.00 0.00 H new ATOM 0 HD12 ILE A 55 0.181 2.764 -14.540 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -0.896 1.622 -15.379 1.00 0.00 H new ATOM 839 N LEU A 56 0.605 -1.902 -12.950 1.00 0.00 N ATOM 840 CA LEU A 56 1.241 -2.996 -12.225 1.00 0.00 C ATOM 841 C LEU A 56 2.760 -2.872 -12.273 1.00 0.00 C ATOM 842 O LEU A 56 3.311 -2.196 -13.142 1.00 0.00 O ATOM 843 CB LEU A 56 0.809 -4.341 -12.810 1.00 0.00 C ATOM 844 CG LEU A 56 -0.663 -4.713 -12.624 1.00 0.00 C ATOM 845 CD1 LEU A 56 -1.024 -5.913 -13.485 1.00 0.00 C ATOM 846 CD2 LEU A 56 -0.960 -4.997 -11.159 1.00 0.00 C ATOM 0 H LEU A 56 1.137 -1.563 -13.751 1.00 0.00 H new ATOM 0 HA LEU A 56 0.924 -2.941 -11.184 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.030 -4.338 -13.877 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.420 -5.123 -12.360 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.274 -3.868 -12.941 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -2.075 -6.163 -13.339 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.850 -5.674 -14.534 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.406 -6.764 -13.200 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.012 -5.260 -11.045 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.340 -5.825 -10.816 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -0.742 -4.110 -10.565 1.00 0.00 H new ATOM 858 N CYS A 57 3.433 -3.531 -11.336 1.00 0.00 N ATOM 859 CA CYS A 57 4.889 -3.497 -11.272 1.00 0.00 C ATOM 860 C CYS A 57 5.491 -4.743 -11.913 1.00 0.00 C ATOM 861 O CYS A 57 4.796 -5.731 -12.147 1.00 0.00 O ATOM 862 CB CYS A 57 5.354 -3.382 -9.818 1.00 0.00 C ATOM 863 SG CYS A 57 5.096 -4.893 -8.834 1.00 0.00 S ATOM 0 H CYS A 57 2.993 -4.096 -10.610 1.00 0.00 H new ATOM 0 HA CYS A 57 5.232 -2.623 -11.826 1.00 0.00 H new ATOM 0 HB2 CYS A 57 6.414 -3.130 -9.806 1.00 0.00 H new ATOM 0 HB3 CYS A 57 4.824 -2.557 -9.342 1.00 0.00 H new ATOM 0 HG CYS A 57 4.466 -4.594 -7.737 1.00 0.00 H new ATOM 868 N ASN A 58 6.789 -4.689 -12.195 1.00 0.00 N ATOM 869 CA ASN A 58 7.485 -5.813 -12.810 1.00 0.00 C ATOM 870 C ASN A 58 7.443 -7.040 -11.905 1.00 0.00 C ATOM 871 O ASN A 58 7.381 -8.175 -12.380 1.00 0.00 O ATOM 872 CB ASN A 58 8.938 -5.437 -13.111 1.00 0.00 C ATOM 873 CG ASN A 58 9.539 -4.549 -12.039 1.00 0.00 C ATOM 874 OD1 ASN A 58 9.057 -4.511 -10.907 1.00 0.00 O ATOM 875 ND2 ASN A 58 10.597 -3.828 -12.393 1.00 0.00 N ATOM 0 H ASN A 58 7.380 -3.879 -12.007 1.00 0.00 H new ATOM 0 HA ASN A 58 6.978 -6.055 -13.744 1.00 0.00 H new ATOM 0 HB2 ASN A 58 9.534 -6.345 -13.203 1.00 0.00 H new ATOM 0 HB3 ASN A 58 8.986 -4.925 -14.072 1.00 0.00 H new ATOM 0 HD21 ASN A 58 11.044 -3.211 -11.715 1.00 0.00 H new ATOM 0 HD22 ASN A 58 10.963 -3.891 -13.343 1.00 0.00 H new ATOM 882 N LYS A 59 7.476 -6.805 -10.597 1.00 0.00 N ATOM 883 CA LYS A 59 7.439 -7.890 -9.623 1.00 0.00 C ATOM 884 C LYS A 59 6.139 -8.679 -9.737 1.00 0.00 C ATOM 885 O LYS A 59 6.106 -9.882 -9.473 1.00 0.00 O ATOM 886 CB LYS A 59 7.590 -7.335 -8.205 1.00 0.00 C ATOM 887 CG LYS A 59 9.029 -7.275 -7.725 1.00 0.00 C ATOM 888 CD LYS A 59 9.124 -6.719 -6.314 1.00 0.00 C ATOM 889 CE LYS A 59 8.946 -7.811 -5.271 1.00 0.00 C ATOM 890 NZ LYS A 59 8.802 -7.251 -3.899 1.00 0.00 N ATOM 0 H LYS A 59 7.528 -5.872 -10.187 1.00 0.00 H new ATOM 0 HA LYS A 59 8.271 -8.563 -9.833 1.00 0.00 H new ATOM 0 HB2 LYS A 59 7.162 -6.333 -8.169 1.00 0.00 H new ATOM 0 HB3 LYS A 59 7.012 -7.954 -7.518 1.00 0.00 H new ATOM 0 HG2 LYS A 59 9.465 -8.274 -7.754 1.00 0.00 H new ATOM 0 HG3 LYS A 59 9.614 -6.653 -8.402 1.00 0.00 H new ATOM 0 HD2 LYS A 59 10.092 -6.237 -6.176 1.00 0.00 H new ATOM 0 HD3 LYS A 59 8.363 -5.952 -6.172 1.00 0.00 H new ATOM 0 HE2 LYS A 59 8.065 -8.405 -5.515 1.00 0.00 H new ATOM 0 HE3 LYS A 59 9.803 -8.484 -5.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 8.683 -8.028 -3.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 9.653 -6.705 -3.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 7.969 -6.629 -3.864 1.00 0.00 H new ATOM 904 N CYS A 60 5.070 -7.996 -10.131 1.00 0.00 N ATOM 905 CA CYS A 60 3.767 -8.633 -10.281 1.00 0.00 C ATOM 906 C CYS A 60 3.571 -9.142 -11.706 1.00 0.00 C ATOM 907 O CYS A 60 3.113 -10.266 -11.919 1.00 0.00 O ATOM 908 CB CYS A 60 2.651 -7.649 -9.921 1.00 0.00 C ATOM 909 SG CYS A 60 2.452 -7.374 -8.132 1.00 0.00 S ATOM 0 H CYS A 60 5.080 -7.000 -10.352 1.00 0.00 H new ATOM 0 HA CYS A 60 3.726 -9.484 -9.601 1.00 0.00 H new ATOM 0 HB2 CYS A 60 2.854 -6.693 -10.404 1.00 0.00 H new ATOM 0 HB3 CYS A 60 1.710 -8.019 -10.328 1.00 0.00 H new ATOM 0 HG CYS A 60 3.273 -6.445 -7.742 1.00 0.00 H new ATOM 914 N THR A 61 3.921 -8.308 -12.680 1.00 0.00 N ATOM 915 CA THR A 61 3.783 -8.673 -14.085 1.00 0.00 C ATOM 916 C THR A 61 4.147 -10.136 -14.311 1.00 0.00 C ATOM 917 O THR A 61 3.442 -10.861 -15.014 1.00 0.00 O ATOM 918 CB THR A 61 4.668 -7.790 -14.984 1.00 0.00 C ATOM 919 OG1 THR A 61 6.047 -7.971 -14.643 1.00 0.00 O ATOM 920 CG2 THR A 61 4.293 -6.323 -14.839 1.00 0.00 C ATOM 0 H THR A 61 4.302 -7.375 -12.522 1.00 0.00 H new ATOM 0 HA THR A 61 2.738 -8.517 -14.351 1.00 0.00 H new ATOM 0 HB THR A 61 4.508 -8.089 -16.020 1.00 0.00 H new ATOM 0 HG1 THR A 61 6.123 -8.187 -13.690 1.00 0.00 H new ATOM 0 HG21 THR A 61 4.932 -5.719 -15.483 1.00 0.00 H new ATOM 0 HG22 THR A 61 3.251 -6.184 -15.127 1.00 0.00 H new ATOM 0 HG23 THR A 61 4.427 -6.014 -13.802 1.00 0.00 H new ATOM 1004 N PRO A 67 -4.286 -18.377 -9.552 1.00 0.00 N ATOM 1005 CA PRO A 67 -5.656 -18.360 -10.075 1.00 0.00 C ATOM 1006 C PRO A 67 -6.666 -17.876 -9.040 1.00 0.00 C ATOM 1007 O PRO A 67 -6.506 -18.112 -7.843 1.00 0.00 O ATOM 1008 CB PRO A 67 -5.916 -19.826 -10.432 1.00 0.00 C ATOM 1009 CG PRO A 67 -5.002 -20.600 -9.547 1.00 0.00 C ATOM 1010 CD PRO A 67 -3.777 -19.746 -9.368 1.00 0.00 C ATOM 0 HA PRO A 67 -5.763 -17.676 -10.917 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -6.958 -20.097 -10.259 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -5.707 -20.020 -11.484 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -5.474 -20.811 -8.587 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -4.746 -21.560 -9.995 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -3.334 -19.881 -8.381 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -3.007 -19.990 -10.099 1.00 0.00 H new ATOM 1018 N LYS A 68 -7.708 -17.198 -9.510 1.00 0.00 N ATOM 1019 CA LYS A 68 -8.746 -16.682 -8.626 1.00 0.00 C ATOM 1020 C LYS A 68 -10.131 -17.087 -9.120 1.00 0.00 C ATOM 1021 O LYS A 68 -10.381 -17.143 -10.324 1.00 0.00 O ATOM 1022 CB LYS A 68 -8.653 -15.157 -8.532 1.00 0.00 C ATOM 1023 CG LYS A 68 -7.305 -14.660 -8.038 1.00 0.00 C ATOM 1024 CD LYS A 68 -7.378 -13.213 -7.581 1.00 0.00 C ATOM 1025 CE LYS A 68 -7.399 -12.256 -8.763 1.00 0.00 C ATOM 1026 NZ LYS A 68 -6.095 -12.231 -9.480 1.00 0.00 N ATOM 0 H LYS A 68 -7.856 -16.993 -10.498 1.00 0.00 H new ATOM 0 HA LYS A 68 -8.592 -17.111 -7.636 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -8.852 -14.728 -9.514 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -9.433 -14.794 -7.862 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -6.965 -15.286 -7.213 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -6.567 -14.754 -8.835 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -8.273 -13.066 -6.976 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -6.523 -12.988 -6.944 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -8.188 -12.551 -9.455 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -7.640 -11.252 -8.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -6.045 -11.383 -10.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -5.319 -12.211 -8.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -6.009 -13.081 -10.073 1.00 0.00 H new ATOM 1040 N CYS A 69 -11.030 -17.367 -8.182 1.00 0.00 N ATOM 1041 CA CYS A 69 -12.391 -17.766 -8.521 1.00 0.00 C ATOM 1042 C CYS A 69 -13.231 -16.554 -8.913 1.00 0.00 C ATOM 1043 O CYS A 69 -12.831 -15.410 -8.696 1.00 0.00 O ATOM 1044 CB CYS A 69 -13.041 -18.492 -7.341 1.00 0.00 C ATOM 1045 SG CYS A 69 -14.552 -19.412 -7.775 1.00 0.00 S ATOM 0 H CYS A 69 -10.840 -17.325 -7.181 1.00 0.00 H new ATOM 0 HA CYS A 69 -12.343 -18.444 -9.373 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -12.317 -19.185 -6.911 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -13.282 -17.763 -6.568 1.00 0.00 H new ATOM 0 HG CYS A 69 -14.908 -20.160 -6.773 1.00 0.00 H new ATOM 1050 N LYS A 70 -14.399 -16.814 -9.491 1.00 0.00 N ATOM 1051 CA LYS A 70 -15.298 -15.746 -9.912 1.00 0.00 C ATOM 1052 C LYS A 70 -16.595 -15.778 -9.109 1.00 0.00 C ATOM 1053 O LYS A 70 -17.287 -14.768 -8.988 1.00 0.00 O ATOM 1054 CB LYS A 70 -15.608 -15.872 -11.405 1.00 0.00 C ATOM 1055 CG LYS A 70 -15.910 -14.544 -12.078 1.00 0.00 C ATOM 1056 CD LYS A 70 -17.127 -13.871 -11.464 1.00 0.00 C ATOM 1057 CE LYS A 70 -17.787 -12.913 -12.443 1.00 0.00 C ATOM 1058 NZ LYS A 70 -17.008 -11.654 -12.598 1.00 0.00 N ATOM 0 H LYS A 70 -14.745 -17.755 -9.679 1.00 0.00 H new ATOM 0 HA LYS A 70 -14.801 -14.793 -9.729 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -14.760 -16.339 -11.905 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -16.461 -16.538 -11.535 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -15.046 -13.886 -11.990 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -16.081 -14.705 -13.142 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -17.846 -14.629 -11.155 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -16.830 -13.328 -10.567 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -17.889 -13.399 -13.413 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -18.793 -12.677 -12.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -17.491 -11.028 -13.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -16.932 -11.177 -11.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -16.056 -11.876 -12.952 1.00 0.00 H new ATOM 1072 N GLY A 71 -16.917 -16.945 -8.559 1.00 0.00 N ATOM 1073 CA GLY A 71 -18.128 -17.085 -7.773 1.00 0.00 C ATOM 1074 C GLY A 71 -17.959 -16.586 -6.351 1.00 0.00 C ATOM 1075 O GLY A 71 -18.897 -16.056 -5.755 1.00 0.00 O ATOM 0 H GLY A 71 -16.361 -17.796 -8.644 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -18.935 -16.533 -8.254 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -18.425 -18.133 -7.754 1.00 0.00 H new ATOM 1079 N CYS A 72 -16.759 -16.757 -5.806 1.00 0.00 N ATOM 1080 CA CYS A 72 -16.469 -16.322 -4.445 1.00 0.00 C ATOM 1081 C CYS A 72 -15.280 -15.366 -4.421 1.00 0.00 C ATOM 1082 O CYS A 72 -15.067 -14.647 -3.444 1.00 0.00 O ATOM 1083 CB CYS A 72 -16.183 -17.531 -3.551 1.00 0.00 C ATOM 1084 SG CYS A 72 -14.782 -18.552 -4.108 1.00 0.00 S ATOM 0 H CYS A 72 -15.972 -17.194 -6.286 1.00 0.00 H new ATOM 0 HA CYS A 72 -17.344 -15.795 -4.064 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -15.984 -17.181 -2.538 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -17.076 -18.154 -3.503 1.00 0.00 H new ATOM 0 HG CYS A 72 -14.880 -18.763 -5.387 1.00 0.00 H new ATOM 1089 N PHE A 73 -14.509 -15.363 -5.503 1.00 0.00 N ATOM 1090 CA PHE A 73 -13.341 -14.496 -5.607 1.00 0.00 C ATOM 1091 C PHE A 73 -12.315 -14.834 -4.530 1.00 0.00 C ATOM 1092 O PHE A 73 -11.816 -13.952 -3.831 1.00 0.00 O ATOM 1093 CB PHE A 73 -13.756 -13.028 -5.488 1.00 0.00 C ATOM 1094 CG PHE A 73 -14.157 -12.410 -6.797 1.00 0.00 C ATOM 1095 CD1 PHE A 73 -13.239 -12.282 -7.827 1.00 0.00 C ATOM 1096 CD2 PHE A 73 -15.451 -11.956 -6.997 1.00 0.00 C ATOM 1097 CE1 PHE A 73 -13.604 -11.715 -9.033 1.00 0.00 C ATOM 1098 CE2 PHE A 73 -15.822 -11.388 -8.201 1.00 0.00 C ATOM 1099 CZ PHE A 73 -14.897 -11.266 -9.220 1.00 0.00 C ATOM 0 H PHE A 73 -14.672 -15.951 -6.320 1.00 0.00 H new ATOM 0 HA PHE A 73 -12.885 -14.660 -6.583 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -14.588 -12.950 -4.788 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -12.929 -12.458 -5.065 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -12.226 -12.630 -7.685 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -16.178 -12.047 -6.203 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -12.879 -11.623 -9.828 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -16.834 -11.040 -8.345 1.00 0.00 H new ATOM 0 HZ PHE A 73 -15.184 -10.820 -10.161 1.00 0.00 H new ATOM 1109 N LYS A 74 -12.003 -16.120 -4.401 1.00 0.00 N ATOM 1110 CA LYS A 74 -11.037 -16.578 -3.410 1.00 0.00 C ATOM 1111 C LYS A 74 -9.848 -17.256 -4.083 1.00 0.00 C ATOM 1112 O LYS A 74 -9.991 -17.884 -5.132 1.00 0.00 O ATOM 1113 CB LYS A 74 -11.701 -17.546 -2.429 1.00 0.00 C ATOM 1114 CG LYS A 74 -12.728 -16.886 -1.525 1.00 0.00 C ATOM 1115 CD LYS A 74 -13.438 -17.906 -0.650 1.00 0.00 C ATOM 1116 CE LYS A 74 -14.618 -17.287 0.083 1.00 0.00 C ATOM 1117 NZ LYS A 74 -14.178 -16.299 1.107 1.00 0.00 N ATOM 0 H LYS A 74 -12.406 -16.863 -4.971 1.00 0.00 H new ATOM 0 HA LYS A 74 -10.675 -15.708 -2.863 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -12.184 -18.345 -2.991 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -10.931 -18.010 -1.812 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -12.237 -16.144 -0.895 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -13.460 -16.354 -2.132 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -13.785 -18.736 -1.266 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -12.735 -18.318 0.073 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -15.275 -16.797 -0.635 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -15.200 -18.073 0.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -15.011 -15.900 1.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -13.571 -16.771 1.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -13.644 -15.535 0.645 1.00 0.00 H new ATOM 1131 N ALA A 75 -8.674 -17.125 -3.473 1.00 0.00 N ATOM 1132 CA ALA A 75 -7.462 -17.729 -4.012 1.00 0.00 C ATOM 1133 C ALA A 75 -7.654 -19.221 -4.260 1.00 0.00 C ATOM 1134 O ALA A 75 -7.823 -19.999 -3.321 1.00 0.00 O ATOM 1135 CB ALA A 75 -6.292 -17.496 -3.067 1.00 0.00 C ATOM 0 H ALA A 75 -8.537 -16.606 -2.606 1.00 0.00 H new ATOM 0 HA ALA A 75 -7.244 -17.254 -4.969 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -5.393 -17.952 -3.482 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.132 -16.425 -2.944 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -6.512 -17.944 -2.098 1.00 0.00 H new ATOM 1141 N ILE A 76 -7.630 -19.612 -5.530 1.00 0.00 N ATOM 1142 CA ILE A 76 -7.801 -21.012 -5.900 1.00 0.00 C ATOM 1143 C ILE A 76 -6.492 -21.782 -5.762 1.00 0.00 C ATOM 1144 O ILE A 76 -5.408 -21.210 -5.873 1.00 0.00 O ATOM 1145 CB ILE A 76 -8.316 -21.152 -7.345 1.00 0.00 C ATOM 1146 CG1 ILE A 76 -9.696 -20.506 -7.484 1.00 0.00 C ATOM 1147 CG2 ILE A 76 -8.369 -22.618 -7.748 1.00 0.00 C ATOM 1148 CD1 ILE A 76 -10.215 -20.487 -8.904 1.00 0.00 C ATOM 0 H ILE A 76 -7.494 -18.980 -6.319 1.00 0.00 H new ATOM 0 HA ILE A 76 -8.539 -21.431 -5.216 1.00 0.00 H new ATOM 0 HB ILE A 76 -7.626 -20.636 -8.012 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -10.405 -21.044 -6.854 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -9.649 -19.483 -7.110 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -8.735 -22.701 -8.771 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -7.370 -23.049 -7.684 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -9.040 -23.155 -7.078 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -11.197 -20.015 -8.926 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -9.527 -19.924 -9.535 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -10.295 -21.508 -9.276 1.00 0.00 H new ATOM 1160 N VAL A 77 -6.601 -23.084 -5.519 1.00 0.00 N ATOM 1161 CA VAL A 77 -5.427 -23.935 -5.368 1.00 0.00 C ATOM 1162 C VAL A 77 -5.450 -25.086 -6.367 1.00 0.00 C ATOM 1163 O VAL A 77 -6.511 -25.613 -6.697 1.00 0.00 O ATOM 1164 CB VAL A 77 -5.329 -24.509 -3.942 1.00 0.00 C ATOM 1165 CG1 VAL A 77 -4.095 -25.387 -3.803 1.00 0.00 C ATOM 1166 CG2 VAL A 77 -5.312 -23.385 -2.916 1.00 0.00 C ATOM 0 H VAL A 77 -7.491 -23.573 -5.422 1.00 0.00 H new ATOM 0 HA VAL A 77 -4.556 -23.309 -5.560 1.00 0.00 H new ATOM 0 HB VAL A 77 -6.208 -25.127 -3.756 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -4.043 -25.783 -2.789 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.154 -26.212 -4.513 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -3.203 -24.795 -4.008 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -5.242 -23.808 -1.914 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -4.453 -22.739 -3.098 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -6.229 -22.801 -3.001 1.00 0.00 H new ATOM 1176 N ALA A 78 -4.271 -25.471 -6.844 1.00 0.00 N ATOM 1177 CA ALA A 78 -4.155 -26.562 -7.804 1.00 0.00 C ATOM 1178 C ALA A 78 -4.839 -27.823 -7.287 1.00 0.00 C ATOM 1179 O ALA A 78 -5.749 -28.353 -7.923 1.00 0.00 O ATOM 1180 CB ALA A 78 -2.691 -26.842 -8.111 1.00 0.00 C ATOM 0 H ALA A 78 -3.383 -25.044 -6.581 1.00 0.00 H new ATOM 0 HA ALA A 78 -4.656 -26.259 -8.723 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.620 -27.659 -8.829 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -2.230 -25.948 -8.531 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -2.173 -27.120 -7.193 1.00 0.00 H new ATOM 1186 N GLY A 79 -4.393 -28.300 -6.128 1.00 0.00 N ATOM 1187 CA GLY A 79 -4.973 -29.496 -5.546 1.00 0.00 C ATOM 1188 C GLY A 79 -6.467 -29.366 -5.322 1.00 0.00 C ATOM 1189 O GLY A 79 -7.221 -30.309 -5.560 1.00 0.00 O ATOM 0 H GLY A 79 -3.641 -27.879 -5.582 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -4.779 -30.346 -6.201 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -4.483 -29.708 -4.596 1.00 0.00 H new ATOM 1193 N ASP A 80 -6.894 -28.196 -4.861 1.00 0.00 N ATOM 1194 CA ASP A 80 -8.308 -27.946 -4.603 1.00 0.00 C ATOM 1195 C ASP A 80 -9.143 -28.215 -5.851 1.00 0.00 C ATOM 1196 O ASP A 80 -8.646 -28.126 -6.973 1.00 0.00 O ATOM 1197 CB ASP A 80 -8.516 -26.505 -4.136 1.00 0.00 C ATOM 1198 CG ASP A 80 -8.176 -26.316 -2.671 1.00 0.00 C ATOM 1199 OD1 ASP A 80 -7.095 -26.778 -2.248 1.00 0.00 O ATOM 1200 OD2 ASP A 80 -8.990 -25.706 -1.947 1.00 0.00 O ATOM 0 H ASP A 80 -6.282 -27.406 -4.658 1.00 0.00 H new ATOM 0 HA ASP A 80 -8.634 -28.625 -3.816 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -7.899 -25.838 -4.738 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -9.554 -26.218 -4.305 1.00 0.00 H new ATOM 1205 N GLN A 81 -10.414 -28.545 -5.646 1.00 0.00 N ATOM 1206 CA GLN A 81 -11.318 -28.829 -6.755 1.00 0.00 C ATOM 1207 C GLN A 81 -11.849 -27.538 -7.368 1.00 0.00 C ATOM 1208 O GLN A 81 -12.423 -26.700 -6.674 1.00 0.00 O ATOM 1209 CB GLN A 81 -12.483 -29.700 -6.281 1.00 0.00 C ATOM 1210 CG GLN A 81 -12.045 -31.019 -5.666 1.00 0.00 C ATOM 1211 CD GLN A 81 -11.458 -31.973 -6.687 1.00 0.00 C ATOM 1212 OE1 GLN A 81 -11.348 -31.645 -7.869 1.00 0.00 O ATOM 1213 NE2 GLN A 81 -11.075 -33.162 -6.236 1.00 0.00 N ATOM 0 H GLN A 81 -10.841 -28.622 -4.723 1.00 0.00 H new ATOM 0 HA GLN A 81 -10.758 -29.369 -7.519 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -13.067 -29.143 -5.548 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -13.141 -29.903 -7.126 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -11.306 -30.825 -4.889 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -12.900 -31.492 -5.182 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -11.184 -33.392 -5.248 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -10.671 -33.845 -6.877 1.00 0.00 H new ATOM 1222 N ASN A 82 -11.652 -27.384 -8.674 1.00 0.00 N ATOM 1223 CA ASN A 82 -12.111 -26.194 -9.381 1.00 0.00 C ATOM 1224 C ASN A 82 -12.693 -26.561 -10.742 1.00 0.00 C ATOM 1225 O ASN A 82 -12.416 -27.633 -11.280 1.00 0.00 O ATOM 1226 CB ASN A 82 -10.958 -25.204 -9.557 1.00 0.00 C ATOM 1227 CG ASN A 82 -9.929 -25.312 -8.448 1.00 0.00 C ATOM 1228 OD1 ASN A 82 -10.185 -24.925 -7.308 1.00 0.00 O ATOM 1229 ND2 ASN A 82 -8.756 -25.841 -8.780 1.00 0.00 N ATOM 0 H ASN A 82 -11.178 -28.068 -9.263 1.00 0.00 H new ATOM 0 HA ASN A 82 -12.895 -25.727 -8.785 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -10.473 -25.382 -10.517 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -11.355 -24.189 -9.583 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -8.024 -25.940 -8.077 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -8.588 -26.148 -9.738 1.00 0.00 H new ATOM 1236 N VAL A 83 -13.502 -25.662 -11.296 1.00 0.00 N ATOM 1237 CA VAL A 83 -14.123 -25.890 -12.595 1.00 0.00 C ATOM 1238 C VAL A 83 -13.755 -24.786 -13.581 1.00 0.00 C ATOM 1239 O VAL A 83 -14.222 -23.654 -13.462 1.00 0.00 O ATOM 1240 CB VAL A 83 -15.656 -25.969 -12.479 1.00 0.00 C ATOM 1241 CG1 VAL A 83 -16.274 -26.358 -13.813 1.00 0.00 C ATOM 1242 CG2 VAL A 83 -16.058 -26.952 -11.390 1.00 0.00 C ATOM 0 H VAL A 83 -13.742 -24.769 -10.865 1.00 0.00 H new ATOM 0 HA VAL A 83 -13.745 -26.844 -12.963 1.00 0.00 H new ATOM 0 HB VAL A 83 -16.033 -24.984 -12.205 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -17.358 -26.409 -13.711 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -16.015 -25.613 -14.565 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -15.893 -27.332 -14.121 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -17.145 -26.995 -11.322 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -15.670 -27.942 -11.632 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -15.647 -26.625 -10.435 1.00 0.00 H new ATOM 1252 N GLU A 84 -12.915 -25.125 -14.554 1.00 0.00 N ATOM 1253 CA GLU A 84 -12.484 -24.162 -15.560 1.00 0.00 C ATOM 1254 C GLU A 84 -13.396 -24.208 -16.783 1.00 0.00 C ATOM 1255 O GLU A 84 -13.716 -25.283 -17.291 1.00 0.00 O ATOM 1256 CB GLU A 84 -11.038 -24.438 -15.977 1.00 0.00 C ATOM 1257 CG GLU A 84 -10.482 -23.419 -16.958 1.00 0.00 C ATOM 1258 CD GLU A 84 -9.132 -23.824 -17.516 1.00 0.00 C ATOM 1259 OE1 GLU A 84 -9.064 -24.851 -18.222 1.00 0.00 O ATOM 1260 OE2 GLU A 84 -8.142 -23.111 -17.246 1.00 0.00 O ATOM 0 H GLU A 84 -12.520 -26.059 -14.667 1.00 0.00 H new ATOM 0 HA GLU A 84 -12.543 -23.166 -15.121 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -10.409 -24.454 -15.087 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -10.981 -25.430 -16.425 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -11.186 -23.289 -17.780 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -10.391 -22.453 -16.461 1.00 0.00 H new ATOM 1267 N TYR A 85 -13.811 -23.035 -17.249 1.00 0.00 N ATOM 1268 CA TYR A 85 -14.688 -22.941 -18.410 1.00 0.00 C ATOM 1269 C TYR A 85 -14.095 -22.013 -19.466 1.00 0.00 C ATOM 1270 O TYR A 85 -13.552 -22.466 -20.474 1.00 0.00 O ATOM 1271 CB TYR A 85 -16.070 -22.438 -17.991 1.00 0.00 C ATOM 1272 CG TYR A 85 -16.984 -22.139 -19.158 1.00 0.00 C ATOM 1273 CD1 TYR A 85 -17.218 -23.089 -20.145 1.00 0.00 C ATOM 1274 CD2 TYR A 85 -17.614 -20.906 -19.274 1.00 0.00 C ATOM 1275 CE1 TYR A 85 -18.051 -22.819 -21.213 1.00 0.00 C ATOM 1276 CE2 TYR A 85 -18.451 -20.628 -20.337 1.00 0.00 C ATOM 1277 CZ TYR A 85 -18.666 -21.588 -21.304 1.00 0.00 C ATOM 1278 OH TYR A 85 -19.497 -21.314 -22.366 1.00 0.00 O ATOM 0 H TYR A 85 -13.554 -22.136 -16.841 1.00 0.00 H new ATOM 0 HA TYR A 85 -14.787 -23.937 -18.842 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -16.542 -23.185 -17.353 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -15.953 -21.535 -17.391 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -16.740 -24.055 -20.076 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -17.446 -20.152 -18.520 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -18.220 -23.568 -21.973 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -18.934 -19.665 -20.411 1.00 0.00 H new ATOM 0 HH TYR A 85 -19.850 -20.404 -22.279 1.00 0.00 H new ATOM 1288 N LYS A 86 -14.203 -20.711 -19.228 1.00 0.00 N ATOM 1289 CA LYS A 86 -13.678 -19.716 -20.155 1.00 0.00 C ATOM 1290 C LYS A 86 -12.693 -18.785 -19.455 1.00 0.00 C ATOM 1291 O LYS A 86 -13.073 -17.729 -18.952 1.00 0.00 O ATOM 1292 CB LYS A 86 -14.821 -18.901 -20.764 1.00 0.00 C ATOM 1293 CG LYS A 86 -15.395 -19.510 -22.031 1.00 0.00 C ATOM 1294 CD LYS A 86 -16.715 -18.862 -22.414 1.00 0.00 C ATOM 1295 CE LYS A 86 -16.532 -17.397 -22.777 1.00 0.00 C ATOM 1296 NZ LYS A 86 -15.812 -17.231 -24.070 1.00 0.00 N ATOM 0 H LYS A 86 -14.650 -20.319 -18.399 1.00 0.00 H new ATOM 0 HA LYS A 86 -13.151 -20.242 -20.951 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -15.617 -18.800 -20.026 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -14.462 -17.896 -20.985 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -14.682 -19.394 -22.847 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -15.543 -20.580 -21.887 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -17.152 -19.395 -23.258 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -17.418 -18.948 -21.585 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -17.507 -16.914 -22.840 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -15.977 -16.893 -21.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -15.841 -16.232 -24.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -14.823 -17.531 -23.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -16.269 -17.814 -24.799 1.00 0.00 H new ATOM 1310 N GLY A 87 -11.425 -19.185 -19.427 1.00 0.00 N ATOM 1311 CA GLY A 87 -10.405 -18.374 -18.788 1.00 0.00 C ATOM 1312 C GLY A 87 -10.477 -18.441 -17.275 1.00 0.00 C ATOM 1313 O GLY A 87 -9.458 -18.610 -16.604 1.00 0.00 O ATOM 0 H GLY A 87 -11.086 -20.056 -19.835 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -9.421 -18.707 -19.117 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -10.515 -17.338 -19.109 1.00 0.00 H new ATOM 1317 N THR A 88 -11.684 -18.305 -16.734 1.00 0.00 N ATOM 1318 CA THR A 88 -11.884 -18.348 -15.291 1.00 0.00 C ATOM 1319 C THR A 88 -12.405 -19.710 -14.848 1.00 0.00 C ATOM 1320 O THR A 88 -13.119 -20.385 -15.591 1.00 0.00 O ATOM 1321 CB THR A 88 -12.870 -17.259 -14.828 1.00 0.00 C ATOM 1322 OG1 THR A 88 -12.678 -16.066 -15.597 1.00 0.00 O ATOM 1323 CG2 THR A 88 -12.682 -16.952 -13.350 1.00 0.00 C ATOM 0 H THR A 88 -12.538 -18.164 -17.274 1.00 0.00 H new ATOM 0 HA THR A 88 -10.912 -18.167 -14.832 1.00 0.00 H new ATOM 0 HB THR A 88 -13.884 -17.629 -14.979 1.00 0.00 H new ATOM 0 HG1 THR A 88 -13.310 -15.379 -15.298 1.00 0.00 H new ATOM 0 HG21 THR A 88 -13.389 -16.180 -13.046 1.00 0.00 H new ATOM 0 HG22 THR A 88 -12.857 -17.855 -12.766 1.00 0.00 H new ATOM 0 HG23 THR A 88 -11.665 -16.600 -13.178 1.00 0.00 H new ATOM 1331 N VAL A 89 -12.044 -20.111 -13.633 1.00 0.00 N ATOM 1332 CA VAL A 89 -12.476 -21.393 -13.091 1.00 0.00 C ATOM 1333 C VAL A 89 -13.237 -21.207 -11.783 1.00 0.00 C ATOM 1334 O VAL A 89 -12.758 -20.544 -10.863 1.00 0.00 O ATOM 1335 CB VAL A 89 -11.280 -22.332 -12.847 1.00 0.00 C ATOM 1336 CG1 VAL A 89 -10.142 -22.006 -13.803 1.00 0.00 C ATOM 1337 CG2 VAL A 89 -10.816 -22.239 -11.401 1.00 0.00 C ATOM 0 H VAL A 89 -11.453 -19.566 -13.005 1.00 0.00 H new ATOM 0 HA VAL A 89 -13.136 -21.844 -13.832 1.00 0.00 H new ATOM 0 HB VAL A 89 -11.600 -23.357 -13.036 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -9.306 -22.679 -13.616 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -10.484 -22.129 -14.831 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -9.820 -20.976 -13.648 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -9.970 -22.909 -11.246 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -10.513 -21.215 -11.181 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -11.632 -22.526 -10.738 1.00 0.00 H new ATOM 1347 N TRP A 90 -14.424 -21.798 -11.706 1.00 0.00 N ATOM 1348 CA TRP A 90 -15.252 -21.698 -10.510 1.00 0.00 C ATOM 1349 C TRP A 90 -15.141 -22.962 -9.664 1.00 0.00 C ATOM 1350 O TRP A 90 -15.182 -24.076 -10.187 1.00 0.00 O ATOM 1351 CB TRP A 90 -16.712 -21.453 -10.894 1.00 0.00 C ATOM 1352 CG TRP A 90 -16.878 -20.430 -11.976 1.00 0.00 C ATOM 1353 CD1 TRP A 90 -16.423 -20.514 -13.260 1.00 0.00 C ATOM 1354 CD2 TRP A 90 -17.545 -19.167 -11.866 1.00 0.00 C ATOM 1355 NE1 TRP A 90 -16.767 -19.380 -13.956 1.00 0.00 N ATOM 1356 CE2 TRP A 90 -17.456 -18.539 -13.123 1.00 0.00 C ATOM 1357 CE3 TRP A 90 -18.210 -18.508 -10.829 1.00 0.00 C ATOM 1358 CZ2 TRP A 90 -18.006 -17.283 -13.368 1.00 0.00 C ATOM 1359 CZ3 TRP A 90 -18.755 -17.262 -11.073 1.00 0.00 C ATOM 1360 CH2 TRP A 90 -18.651 -16.660 -12.335 1.00 0.00 C ATOM 0 H TRP A 90 -14.835 -22.352 -12.458 1.00 0.00 H new ATOM 0 HA TRP A 90 -14.893 -20.855 -9.919 1.00 0.00 H new ATOM 0 HB2 TRP A 90 -17.157 -22.393 -11.221 1.00 0.00 H new ATOM 0 HB3 TRP A 90 -17.263 -21.130 -10.011 1.00 0.00 H new ATOM 0 HD1 TRP A 90 -15.873 -21.349 -13.669 1.00 0.00 H new ATOM 0 HE1 TRP A 90 -16.545 -19.195 -14.934 1.00 0.00 H new ATOM 0 HE3 TRP A 90 -18.297 -18.964 -9.854 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 -17.926 -16.817 -14.339 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 -19.270 -16.743 -10.278 1.00 0.00 H new ATOM 0 HH2 TRP A 90 -19.089 -15.686 -12.495 1.00 0.00 H new ATOM 1371 N HIS A 91 -14.999 -22.782 -8.354 1.00 0.00 N ATOM 1372 CA HIS A 91 -14.883 -23.909 -7.436 1.00 0.00 C ATOM 1373 C HIS A 91 -15.947 -24.962 -7.731 1.00 0.00 C ATOM 1374 O HIS A 91 -17.071 -24.634 -8.112 1.00 0.00 O ATOM 1375 CB HIS A 91 -15.009 -23.431 -5.989 1.00 0.00 C ATOM 1376 CG HIS A 91 -13.788 -22.727 -5.483 1.00 0.00 C ATOM 1377 ND1 HIS A 91 -13.838 -21.535 -4.792 1.00 0.00 N ATOM 1378 CD2 HIS A 91 -12.477 -23.056 -5.568 1.00 0.00 C ATOM 1379 CE1 HIS A 91 -12.611 -21.160 -4.476 1.00 0.00 C ATOM 1380 NE2 HIS A 91 -11.767 -22.066 -4.935 1.00 0.00 N ATOM 0 H HIS A 91 -14.962 -21.867 -7.905 1.00 0.00 H new ATOM 0 HA HIS A 91 -13.901 -24.361 -7.577 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -15.864 -22.760 -5.910 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -15.216 -24.288 -5.348 1.00 0.00 H new ATOM 0 HD1 HIS A 91 -14.689 -21.023 -4.561 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -12.066 -23.934 -6.045 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -12.344 -20.265 -3.934 1.00 0.00 H new ATOM 1388 N LYS A 92 -15.585 -26.228 -7.552 1.00 0.00 N ATOM 1389 CA LYS A 92 -16.508 -27.330 -7.798 1.00 0.00 C ATOM 1390 C LYS A 92 -17.918 -26.971 -7.341 1.00 0.00 C ATOM 1391 O LYS A 92 -18.902 -27.346 -7.980 1.00 0.00 O ATOM 1392 CB LYS A 92 -16.032 -28.592 -7.075 1.00 0.00 C ATOM 1393 CG LYS A 92 -16.626 -29.873 -7.633 1.00 0.00 C ATOM 1394 CD LYS A 92 -16.011 -30.235 -8.974 1.00 0.00 C ATOM 1395 CE LYS A 92 -16.713 -31.428 -9.606 1.00 0.00 C ATOM 1396 NZ LYS A 92 -18.069 -31.072 -10.107 1.00 0.00 N ATOM 0 H LYS A 92 -14.659 -26.516 -7.237 1.00 0.00 H new ATOM 0 HA LYS A 92 -16.530 -27.520 -8.871 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -14.945 -28.648 -7.137 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -16.287 -28.513 -6.018 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -16.466 -30.687 -6.926 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -17.704 -29.756 -7.746 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -16.071 -29.379 -9.646 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -14.953 -30.463 -8.841 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -16.110 -31.809 -10.430 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -16.796 -32.231 -8.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -18.446 -31.856 -10.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -18.702 -30.895 -9.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -18.008 -30.216 -10.694 1.00 0.00 H new ATOM 1410 N ASP A 93 -18.009 -26.242 -6.235 1.00 0.00 N ATOM 1411 CA ASP A 93 -19.299 -25.829 -5.694 1.00 0.00 C ATOM 1412 C ASP A 93 -19.848 -24.627 -6.456 1.00 0.00 C ATOM 1413 O ASP A 93 -20.960 -24.667 -6.983 1.00 0.00 O ATOM 1414 CB ASP A 93 -19.169 -25.492 -4.208 1.00 0.00 C ATOM 1415 CG ASP A 93 -19.284 -26.718 -3.324 1.00 0.00 C ATOM 1416 OD1 ASP A 93 -20.368 -27.339 -3.308 1.00 0.00 O ATOM 1417 OD2 ASP A 93 -18.291 -27.057 -2.646 1.00 0.00 O ATOM 0 H ASP A 93 -17.204 -25.924 -5.695 1.00 0.00 H new ATOM 0 HA ASP A 93 -19.996 -26.659 -5.810 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -18.208 -25.009 -4.031 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -19.942 -24.775 -3.932 1.00 0.00 H new ATOM 1422 N CYS A 94 -19.062 -23.557 -6.508 1.00 0.00 N ATOM 1423 CA CYS A 94 -19.469 -22.342 -7.203 1.00 0.00 C ATOM 1424 C CYS A 94 -20.003 -22.665 -8.596 1.00 0.00 C ATOM 1425 O CYS A 94 -20.920 -22.007 -9.088 1.00 0.00 O ATOM 1426 CB CYS A 94 -18.290 -21.372 -7.310 1.00 0.00 C ATOM 1427 SG CYS A 94 -17.662 -20.786 -5.703 1.00 0.00 S ATOM 0 H CYS A 94 -18.139 -23.507 -6.077 1.00 0.00 H new ATOM 0 HA CYS A 94 -20.267 -21.873 -6.627 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -17.478 -21.861 -7.849 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -18.594 -20.511 -7.905 1.00 0.00 H new ATOM 0 HG CYS A 94 -16.814 -19.820 -5.895 1.00 0.00 H new ATOM 1432 N PHE A 95 -19.423 -23.681 -9.225 1.00 0.00 N ATOM 1433 CA PHE A 95 -19.840 -24.092 -10.561 1.00 0.00 C ATOM 1434 C PHE A 95 -21.061 -25.004 -10.493 1.00 0.00 C ATOM 1435 O PHE A 95 -21.026 -26.060 -9.862 1.00 0.00 O ATOM 1436 CB PHE A 95 -18.694 -24.807 -11.279 1.00 0.00 C ATOM 1437 CG PHE A 95 -18.828 -24.801 -12.775 1.00 0.00 C ATOM 1438 CD1 PHE A 95 -18.312 -23.757 -13.526 1.00 0.00 C ATOM 1439 CD2 PHE A 95 -19.468 -25.840 -13.430 1.00 0.00 C ATOM 1440 CE1 PHE A 95 -18.434 -23.749 -14.902 1.00 0.00 C ATOM 1441 CE2 PHE A 95 -19.593 -25.838 -14.807 1.00 0.00 C ATOM 1442 CZ PHE A 95 -19.074 -24.792 -15.544 1.00 0.00 C ATOM 0 H PHE A 95 -18.663 -24.235 -8.831 1.00 0.00 H new ATOM 0 HA PHE A 95 -20.108 -23.197 -11.122 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -17.752 -24.333 -11.005 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -18.645 -25.839 -10.931 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -17.809 -22.940 -13.030 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -19.874 -26.661 -12.858 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -18.029 -22.928 -15.476 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -20.096 -26.653 -15.305 1.00 0.00 H new ATOM 0 HZ PHE A 95 -19.168 -24.789 -16.620 1.00 0.00 H new