USER MOD reduce.3.24.130724 H: found=0, std=0, add=800, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 799 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 62 TYR OH : rot 30:sc= 0 USER MOD Set 1.2: A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 49 THR OG1 : rot 160:sc= -0.26 USER MOD Set 2.2: A 52 HIS : no HE2:sc= -1.03 K(o=-1.3,f=-9!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 TYR OH : rot 165:sc= -0.865 USER MOD Single : A 10 GLN :FLIP amide:sc= 0.0389 F(o=-0.6,f=0.039) USER MOD Single : A 14 LYS NZ :NH3+ -171:sc= -0.0425 (180deg=-0.0489) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 MET CE :methyl -179:sc= -0.714 (180deg=-0.724) USER MOD Single : A 25 GLN : amide:sc= -0.212 K(o=-0.21,f=-2.9!) USER MOD Single : A 26 ASN : amide:sc= -0.803 K(o=-0.8,f=-1.5) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= -0.237 K(o=-0.24,f=-2.5!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 MET CE :methyl -177:sc= -1.3 (180deg=-1.35) USER MOD Single : A 54 LYS NZ :NH3+ -122:sc=-0.00989 (180deg=-0.262) USER MOD Single : A 57 LYS NZ :NH3+ 146:sc= -0.481 (180deg=-2.43!) USER MOD Single : A 58 TYR OH : rot -30:sc= -1.44 USER MOD Single : A 65 THR OG1 : rot 180:sc=-0.000178 USER MOD Single : A 68 THR OG1 : rot -170:sc= -1.94! USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot -24:sc= 0.0871! USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -0.396 K(o=-0.4,f=-3.6!) USER MOD Single : A 92 SER OG : rot 33:sc= 1.04 USER MOD Single : A 96 HIS :FLIP no HD1:sc= -0.622 F(o=-2.6,f=-0.62) USER MOD Single : A 100 LYS NZ :NH3+ -149:sc= -0.132 (180deg=-0.478) USER MOD ----------------------------------------------------------------- ATOM 34 N VAL A 3 -25.520 -12.523 7.279 1.00 0.00 N ATOM 35 CA VAL A 3 -24.976 -13.618 6.425 1.00 0.00 C ATOM 36 C VAL A 3 -23.460 -13.463 6.270 1.00 0.00 C ATOM 37 O VAL A 3 -22.887 -12.462 6.654 1.00 0.00 O ATOM 38 CB VAL A 3 -25.673 -13.453 5.075 1.00 0.00 C ATOM 39 CG1 VAL A 3 -27.184 -13.355 5.289 1.00 0.00 C ATOM 40 CG2 VAL A 3 -25.171 -12.175 4.397 1.00 0.00 C ATOM 0 HA VAL A 3 -25.152 -14.604 6.855 1.00 0.00 H new ATOM 0 HB VAL A 3 -25.451 -14.313 4.443 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -27.681 -13.237 4.326 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -27.542 -14.263 5.774 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -27.407 -12.495 5.920 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -25.667 -12.055 3.434 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -25.394 -11.316 5.029 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -24.094 -12.243 4.245 1.00 0.00 H new ATOM 50 N LYS A 4 -22.807 -14.445 5.712 1.00 0.00 N ATOM 51 CA LYS A 4 -21.329 -14.352 5.536 1.00 0.00 C ATOM 52 C LYS A 4 -20.958 -14.552 4.064 1.00 0.00 C ATOM 53 O LYS A 4 -21.061 -15.639 3.530 1.00 0.00 O ATOM 54 CB LYS A 4 -20.755 -15.481 6.392 1.00 0.00 C ATOM 55 CG LYS A 4 -21.440 -15.484 7.760 1.00 0.00 C ATOM 56 CD LYS A 4 -20.382 -15.608 8.860 1.00 0.00 C ATOM 57 CE LYS A 4 -20.730 -14.664 10.013 1.00 0.00 C ATOM 58 NZ LYS A 4 -20.142 -13.351 9.627 1.00 0.00 N ATOM 0 H LYS A 4 -23.232 -15.307 5.370 1.00 0.00 H new ATOM 0 HA LYS A 4 -20.939 -13.378 5.832 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -20.905 -16.440 5.896 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -19.680 -15.350 6.512 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -22.013 -14.567 7.894 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -22.145 -16.313 7.824 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -20.335 -16.636 9.219 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -19.397 -15.364 8.461 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -21.809 -14.589 10.149 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -20.314 -15.021 10.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -20.339 -12.650 10.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -19.113 -13.452 9.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -20.562 -13.033 8.730 1.00 0.00 H new ATOM 72 N CYS A 5 -20.525 -13.512 3.405 1.00 0.00 N ATOM 73 CA CYS A 5 -20.147 -13.644 1.968 1.00 0.00 C ATOM 74 C CYS A 5 -18.701 -14.144 1.847 1.00 0.00 C ATOM 75 O CYS A 5 -17.884 -13.875 2.705 1.00 0.00 O ATOM 76 CB CYS A 5 -20.278 -12.234 1.393 1.00 0.00 C ATOM 77 SG CYS A 5 -21.998 -11.685 1.526 1.00 0.00 S ATOM 0 H CYS A 5 -20.416 -12.577 3.799 1.00 0.00 H new ATOM 0 HA CYS A 5 -20.776 -14.359 1.438 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -19.624 -11.548 1.931 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -19.962 -12.224 0.350 1.00 0.00 H new ATOM 82 N PRO A 6 -18.424 -14.856 0.779 1.00 0.00 N ATOM 83 CA PRO A 6 -19.457 -15.160 -0.244 1.00 0.00 C ATOM 84 C PRO A 6 -20.401 -16.257 0.257 1.00 0.00 C ATOM 85 O PRO A 6 -20.094 -16.976 1.187 1.00 0.00 O ATOM 86 CB PRO A 6 -18.645 -15.652 -1.437 1.00 0.00 C ATOM 87 CG PRO A 6 -17.371 -16.178 -0.855 1.00 0.00 C ATOM 88 CD PRO A 6 -17.121 -15.434 0.433 1.00 0.00 C ATOM 0 HA PRO A 6 -20.086 -14.303 -0.484 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -19.179 -16.430 -1.983 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -18.451 -14.843 -2.142 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -17.447 -17.250 -0.670 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -16.543 -16.032 -1.549 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -16.763 -16.103 1.215 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -16.364 -14.660 0.304 1.00 0.00 H new ATOM 96 N GLY A 7 -21.547 -16.388 -0.352 1.00 0.00 N ATOM 97 CA GLY A 7 -22.509 -17.438 0.089 1.00 0.00 C ATOM 98 C GLY A 7 -23.713 -17.454 -0.854 1.00 0.00 C ATOM 99 O GLY A 7 -24.001 -16.484 -1.526 1.00 0.00 O ATOM 0 H GLY A 7 -21.859 -15.814 -1.135 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -22.023 -18.414 0.092 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -22.836 -17.241 1.110 1.00 0.00 H new ATOM 103 N GLU A 8 -24.421 -18.550 -0.912 1.00 0.00 N ATOM 104 CA GLU A 8 -25.606 -18.625 -1.813 1.00 0.00 C ATOM 105 C GLU A 8 -26.894 -18.412 -1.014 1.00 0.00 C ATOM 106 O GLU A 8 -27.102 -19.016 0.018 1.00 0.00 O ATOM 107 CB GLU A 8 -25.567 -20.036 -2.403 1.00 0.00 C ATOM 108 CG GLU A 8 -26.204 -20.025 -3.794 1.00 0.00 C ATOM 109 CD GLU A 8 -25.382 -20.903 -4.739 1.00 0.00 C ATOM 110 OE1 GLU A 8 -25.565 -22.109 -4.706 1.00 0.00 O ATOM 111 OE2 GLU A 8 -24.584 -20.354 -5.480 1.00 0.00 O ATOM 0 H GLU A 8 -24.230 -19.396 -0.375 1.00 0.00 H new ATOM 0 HA GLU A 8 -25.584 -17.859 -2.588 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -24.537 -20.387 -2.466 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -26.101 -20.729 -1.752 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -27.229 -20.392 -3.739 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -26.250 -19.005 -4.176 1.00 0.00 H new ATOM 118 N TYR A 9 -27.759 -17.557 -1.486 1.00 0.00 N ATOM 119 CA TYR A 9 -29.034 -17.304 -0.755 1.00 0.00 C ATOM 120 C TYR A 9 -30.204 -17.251 -1.740 1.00 0.00 C ATOM 121 O TYR A 9 -30.072 -16.778 -2.852 1.00 0.00 O ATOM 122 CB TYR A 9 -28.841 -15.946 -0.080 1.00 0.00 C ATOM 123 CG TYR A 9 -27.908 -16.095 1.098 1.00 0.00 C ATOM 124 CD1 TYR A 9 -28.395 -16.567 2.323 1.00 0.00 C ATOM 125 CD2 TYR A 9 -26.554 -15.759 0.964 1.00 0.00 C ATOM 126 CE1 TYR A 9 -27.528 -16.705 3.416 1.00 0.00 C ATOM 127 CE2 TYR A 9 -25.687 -15.897 2.056 1.00 0.00 C ATOM 128 CZ TYR A 9 -26.174 -16.369 3.282 1.00 0.00 C ATOM 129 OH TYR A 9 -25.321 -16.504 4.358 1.00 0.00 O ATOM 0 H TYR A 9 -27.639 -17.022 -2.346 1.00 0.00 H new ATOM 0 HA TYR A 9 -29.260 -18.089 -0.033 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -28.432 -15.229 -0.792 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -29.802 -15.553 0.252 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -29.439 -16.825 2.426 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -26.179 -15.394 0.019 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -27.903 -17.070 4.361 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -24.643 -15.640 1.953 1.00 0.00 H new ATOM 0 HH TYR A 9 -24.393 -16.464 4.047 1.00 0.00 H new ATOM 139 N GLN A 10 -31.350 -17.733 -1.342 1.00 0.00 N ATOM 140 CA GLN A 10 -32.526 -17.709 -2.257 1.00 0.00 C ATOM 141 C GLN A 10 -33.591 -16.747 -1.721 1.00 0.00 C ATOM 142 O GLN A 10 -34.009 -16.841 -0.584 1.00 0.00 O ATOM 143 CB GLN A 10 -33.053 -19.144 -2.265 1.00 0.00 C ATOM 144 CG GLN A 10 -34.323 -19.218 -3.113 1.00 0.00 C ATOM 145 CD GLN A 10 -35.231 -20.327 -2.578 1.00 0.00 C ATOM 146 OE1 GLN A 10 -36.313 -20.006 -1.919 1.00 0.00 O flip ATOM 147 NE2 GLN A 10 -34.955 -21.496 -2.759 1.00 0.00 N flip ATOM 0 H GLN A 10 -31.522 -18.142 -0.424 1.00 0.00 H new ATOM 0 HA GLN A 10 -32.264 -17.368 -3.258 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -32.296 -19.818 -2.666 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -33.264 -19.471 -1.247 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -34.846 -18.262 -3.088 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -34.067 -19.414 -4.154 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -34.111 -21.747 -3.273 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -35.568 -22.227 -2.397 1.00 0.00 H new ATOM 156 N VAL A 11 -34.033 -15.824 -2.530 1.00 0.00 N ATOM 157 CA VAL A 11 -35.070 -14.859 -2.061 1.00 0.00 C ATOM 158 C VAL A 11 -36.414 -15.153 -2.732 1.00 0.00 C ATOM 159 O VAL A 11 -36.690 -14.689 -3.819 1.00 0.00 O ATOM 160 CB VAL A 11 -34.551 -13.485 -2.484 1.00 0.00 C ATOM 161 CG1 VAL A 11 -35.532 -12.405 -2.024 1.00 0.00 C ATOM 162 CG2 VAL A 11 -33.184 -13.236 -1.843 1.00 0.00 C ATOM 0 H VAL A 11 -33.723 -15.695 -3.493 1.00 0.00 H new ATOM 0 HA VAL A 11 -35.234 -14.922 -0.985 1.00 0.00 H new ATOM 0 HB VAL A 11 -34.456 -13.452 -3.569 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -35.162 -11.425 -2.326 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -36.507 -12.581 -2.479 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -35.627 -12.439 -0.939 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -32.814 -12.256 -2.145 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -33.280 -13.270 -0.758 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -32.484 -14.005 -2.169 1.00 0.00 H new ATOM 172 N ASP A 12 -37.255 -15.913 -2.088 1.00 0.00 N ATOM 173 CA ASP A 12 -38.585 -16.229 -2.688 1.00 0.00 C ATOM 174 C ASP A 12 -38.415 -16.962 -4.022 1.00 0.00 C ATOM 175 O ASP A 12 -38.673 -16.417 -5.078 1.00 0.00 O ATOM 176 CB ASP A 12 -39.252 -14.871 -2.904 1.00 0.00 C ATOM 177 CG ASP A 12 -40.742 -15.073 -3.186 1.00 0.00 C ATOM 178 OD1 ASP A 12 -41.243 -16.143 -2.880 1.00 0.00 O ATOM 179 OD2 ASP A 12 -41.357 -14.155 -3.704 1.00 0.00 O ATOM 0 H ASP A 12 -37.081 -16.329 -1.173 1.00 0.00 H new ATOM 0 HA ASP A 12 -39.178 -16.881 -2.047 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -39.120 -14.245 -2.022 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -38.780 -14.351 -3.738 1.00 0.00 H new ATOM 184 N GLY A 13 -37.992 -18.196 -3.983 1.00 0.00 N ATOM 185 CA GLY A 13 -37.816 -18.968 -5.246 1.00 0.00 C ATOM 186 C GLY A 13 -36.819 -18.257 -6.164 1.00 0.00 C ATOM 187 O GLY A 13 -36.716 -18.564 -7.336 1.00 0.00 O ATOM 0 H GLY A 13 -37.760 -18.704 -3.129 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -37.461 -19.973 -5.020 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -38.775 -19.075 -5.752 1.00 0.00 H new ATOM 191 N LYS A 14 -36.081 -17.314 -5.648 1.00 0.00 N ATOM 192 CA LYS A 14 -35.091 -16.596 -6.504 1.00 0.00 C ATOM 193 C LYS A 14 -33.667 -17.004 -6.117 1.00 0.00 C ATOM 194 O LYS A 14 -33.402 -17.372 -4.990 1.00 0.00 O ATOM 195 CB LYS A 14 -35.320 -15.110 -6.223 1.00 0.00 C ATOM 196 CG LYS A 14 -36.772 -14.749 -6.543 1.00 0.00 C ATOM 197 CD LYS A 14 -36.836 -14.035 -7.894 1.00 0.00 C ATOM 198 CE LYS A 14 -38.269 -13.568 -8.157 1.00 0.00 C ATOM 199 NZ LYS A 14 -38.127 -12.235 -8.806 1.00 0.00 N ATOM 0 H LYS A 14 -36.119 -17.009 -4.675 1.00 0.00 H new ATOM 0 HA LYS A 14 -35.214 -16.831 -7.561 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -35.100 -14.888 -5.179 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -34.642 -14.506 -6.826 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -37.385 -15.650 -6.567 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -37.179 -14.107 -5.761 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -36.158 -13.182 -7.899 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -36.510 -14.707 -8.688 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -38.800 -14.267 -8.803 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -38.837 -13.497 -7.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -39.061 -11.783 -8.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -37.496 -11.637 -8.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -37.725 -12.353 -9.758 1.00 0.00 H new ATOM 213 N LYS A 15 -32.749 -16.944 -7.042 1.00 0.00 N ATOM 214 CA LYS A 15 -31.345 -17.333 -6.723 1.00 0.00 C ATOM 215 C LYS A 15 -30.458 -16.088 -6.628 1.00 0.00 C ATOM 216 O LYS A 15 -30.537 -15.193 -7.445 1.00 0.00 O ATOM 217 CB LYS A 15 -30.903 -18.220 -7.887 1.00 0.00 C ATOM 218 CG LYS A 15 -29.739 -19.106 -7.439 1.00 0.00 C ATOM 219 CD LYS A 15 -29.823 -20.460 -8.147 1.00 0.00 C ATOM 220 CE LYS A 15 -29.040 -21.504 -7.349 1.00 0.00 C ATOM 221 NZ LYS A 15 -28.761 -22.601 -8.317 1.00 0.00 N ATOM 0 H LYS A 15 -32.909 -16.643 -8.003 1.00 0.00 H new ATOM 0 HA LYS A 15 -31.268 -17.850 -5.766 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -31.735 -18.838 -8.224 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -30.600 -17.604 -8.733 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -28.790 -18.622 -7.670 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -29.771 -19.247 -6.359 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -30.864 -20.767 -8.244 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -29.419 -20.380 -9.156 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -28.116 -21.085 -6.951 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -29.618 -21.866 -6.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -28.226 -23.355 -7.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -29.659 -22.986 -8.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -28.203 -22.229 -9.112 1.00 0.00 H new ATOM 235 N VAL A 16 -29.610 -16.030 -5.638 1.00 0.00 N ATOM 236 CA VAL A 16 -28.712 -14.848 -5.489 1.00 0.00 C ATOM 237 C VAL A 16 -27.319 -15.302 -5.046 1.00 0.00 C ATOM 238 O VAL A 16 -27.148 -15.868 -3.985 1.00 0.00 O ATOM 239 CB VAL A 16 -29.366 -13.987 -4.407 1.00 0.00 C ATOM 240 CG1 VAL A 16 -28.743 -12.589 -4.421 1.00 0.00 C ATOM 241 CG2 VAL A 16 -30.867 -13.877 -4.681 1.00 0.00 C ATOM 0 H VAL A 16 -29.500 -16.751 -4.925 1.00 0.00 H new ATOM 0 HA VAL A 16 -28.588 -14.300 -6.423 1.00 0.00 H new ATOM 0 HB VAL A 16 -29.206 -14.447 -3.432 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -29.209 -11.975 -3.650 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -27.673 -12.665 -4.227 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -28.903 -12.129 -5.396 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -31.334 -13.264 -3.910 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -31.026 -13.417 -5.656 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -31.312 -14.872 -4.672 1.00 0.00 H new ATOM 251 N ILE A 17 -26.321 -15.063 -5.854 1.00 0.00 N ATOM 252 CA ILE A 17 -24.943 -15.488 -5.477 1.00 0.00 C ATOM 253 C ILE A 17 -24.144 -14.300 -4.934 1.00 0.00 C ATOM 254 O ILE A 17 -23.876 -13.346 -5.637 1.00 0.00 O ATOM 255 CB ILE A 17 -24.319 -16.002 -6.776 1.00 0.00 C ATOM 256 CG1 ILE A 17 -25.261 -17.021 -7.424 1.00 0.00 C ATOM 257 CG2 ILE A 17 -22.978 -16.670 -6.469 1.00 0.00 C ATOM 258 CD1 ILE A 17 -25.827 -16.441 -8.721 1.00 0.00 C ATOM 0 H ILE A 17 -26.400 -14.593 -6.756 1.00 0.00 H new ATOM 0 HA ILE A 17 -24.948 -16.247 -4.695 1.00 0.00 H new ATOM 0 HB ILE A 17 -24.160 -15.167 -7.459 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -24.725 -17.947 -7.631 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -26.072 -17.269 -6.739 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -22.534 -17.036 -7.394 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -22.308 -15.945 -6.007 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -23.135 -17.505 -5.787 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -26.497 -17.166 -9.182 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -26.378 -15.527 -8.501 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -25.010 -16.216 -9.406 1.00 0.00 H new ATOM 270 N LEU A 18 -23.760 -14.353 -3.687 1.00 0.00 N ATOM 271 CA LEU A 18 -22.975 -13.230 -3.099 1.00 0.00 C ATOM 272 C LEU A 18 -21.477 -13.538 -3.183 1.00 0.00 C ATOM 273 O LEU A 18 -20.995 -14.485 -2.594 1.00 0.00 O ATOM 274 CB LEU A 18 -23.426 -13.150 -1.641 1.00 0.00 C ATOM 275 CG LEU A 18 -24.793 -12.469 -1.564 1.00 0.00 C ATOM 276 CD1 LEU A 18 -25.191 -12.285 -0.099 1.00 0.00 C ATOM 277 CD2 LEU A 18 -24.718 -11.101 -2.247 1.00 0.00 C ATOM 0 H LEU A 18 -23.956 -15.125 -3.050 1.00 0.00 H new ATOM 0 HA LEU A 18 -23.138 -12.290 -3.625 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -23.482 -14.150 -1.212 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -22.697 -12.592 -1.054 1.00 0.00 H new ATOM 0 HG LEU A 18 -25.536 -13.088 -2.066 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -26.165 -11.800 -0.045 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -25.243 -13.258 0.389 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -24.449 -11.666 0.405 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -25.692 -10.614 -2.193 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -23.975 -10.483 -1.743 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -24.434 -11.231 -3.291 1.00 0.00 H new ATOM 289 N ASP A 19 -20.738 -12.749 -3.914 1.00 0.00 N ATOM 290 CA ASP A 19 -19.273 -13.003 -4.036 1.00 0.00 C ATOM 291 C ASP A 19 -18.501 -12.163 -3.015 1.00 0.00 C ATOM 292 O ASP A 19 -19.060 -11.655 -2.065 1.00 0.00 O ATOM 293 CB ASP A 19 -18.916 -12.578 -5.461 1.00 0.00 C ATOM 294 CG ASP A 19 -18.293 -13.761 -6.206 1.00 0.00 C ATOM 295 OD1 ASP A 19 -17.341 -14.324 -5.690 1.00 0.00 O ATOM 296 OD2 ASP A 19 -18.779 -14.083 -7.277 1.00 0.00 O ATOM 0 H ASP A 19 -21.084 -11.941 -4.431 1.00 0.00 H new ATOM 0 HA ASP A 19 -19.018 -14.045 -3.845 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -19.809 -12.235 -5.984 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -18.218 -11.741 -5.438 1.00 0.00 H new ATOM 301 N GLU A 20 -17.218 -12.015 -3.207 1.00 0.00 N ATOM 302 CA GLU A 20 -16.407 -11.210 -2.249 1.00 0.00 C ATOM 303 C GLU A 20 -17.158 -9.935 -1.858 1.00 0.00 C ATOM 304 O GLU A 20 -17.579 -9.167 -2.701 1.00 0.00 O ATOM 305 CB GLU A 20 -15.124 -10.866 -3.008 1.00 0.00 C ATOM 306 CG GLU A 20 -15.481 -10.286 -4.377 1.00 0.00 C ATOM 307 CD GLU A 20 -15.129 -8.798 -4.410 1.00 0.00 C ATOM 308 OE1 GLU A 20 -14.098 -8.441 -3.865 1.00 0.00 O ATOM 309 OE2 GLU A 20 -15.898 -8.040 -4.979 1.00 0.00 O ATOM 0 H GLU A 20 -16.696 -12.417 -3.986 1.00 0.00 H new ATOM 0 HA GLU A 20 -16.202 -11.752 -1.326 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -14.534 -10.147 -2.439 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -14.510 -11.758 -3.128 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -14.939 -10.816 -5.160 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -16.544 -10.423 -4.576 1.00 0.00 H new ATOM 316 N ASP A 21 -17.332 -9.704 -0.586 1.00 0.00 N ATOM 317 CA ASP A 21 -18.057 -8.480 -0.141 1.00 0.00 C ATOM 318 C ASP A 21 -19.510 -8.529 -0.618 1.00 0.00 C ATOM 319 O ASP A 21 -20.073 -7.532 -1.026 1.00 0.00 O ATOM 320 CB ASP A 21 -17.313 -7.317 -0.800 1.00 0.00 C ATOM 321 CG ASP A 21 -17.069 -6.216 0.233 1.00 0.00 C ATOM 322 OD1 ASP A 21 -16.097 -6.323 0.964 1.00 0.00 O ATOM 323 OD2 ASP A 21 -17.856 -5.285 0.275 1.00 0.00 O ATOM 0 H ASP A 21 -17.003 -10.310 0.165 1.00 0.00 H new ATOM 0 HA ASP A 21 -18.081 -8.383 0.944 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -16.364 -7.664 -1.209 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -17.895 -6.925 -1.634 1.00 0.00 H new ATOM 328 N CYS A 22 -20.121 -9.681 -0.572 1.00 0.00 N ATOM 329 CA CYS A 22 -21.536 -9.792 -1.024 1.00 0.00 C ATOM 330 C CYS A 22 -21.708 -9.111 -2.384 1.00 0.00 C ATOM 331 O CYS A 22 -22.593 -8.302 -2.578 1.00 0.00 O ATOM 332 CB CYS A 22 -22.352 -9.070 0.047 1.00 0.00 C ATOM 333 SG CYS A 22 -21.868 -9.675 1.683 1.00 0.00 S ATOM 0 H CYS A 22 -19.701 -10.550 -0.241 1.00 0.00 H new ATOM 0 HA CYS A 22 -21.853 -10.828 -1.145 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -22.187 -7.995 -0.018 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -23.416 -9.240 -0.115 1.00 0.00 H new ATOM 338 N PHE A 23 -20.864 -9.432 -3.327 1.00 0.00 N ATOM 339 CA PHE A 23 -20.973 -8.803 -4.675 1.00 0.00 C ATOM 340 C PHE A 23 -22.016 -9.539 -5.521 1.00 0.00 C ATOM 341 O PHE A 23 -21.841 -10.687 -5.879 1.00 0.00 O ATOM 342 CB PHE A 23 -19.581 -8.952 -5.290 1.00 0.00 C ATOM 343 CG PHE A 23 -19.157 -7.638 -5.903 1.00 0.00 C ATOM 344 CD1 PHE A 23 -19.118 -6.479 -5.118 1.00 0.00 C ATOM 345 CD2 PHE A 23 -18.803 -7.580 -7.257 1.00 0.00 C ATOM 346 CE1 PHE A 23 -18.724 -5.260 -5.687 1.00 0.00 C ATOM 347 CE2 PHE A 23 -18.409 -6.362 -7.827 1.00 0.00 C ATOM 348 CZ PHE A 23 -18.370 -5.202 -7.042 1.00 0.00 C ATOM 0 H PHE A 23 -20.103 -10.103 -3.222 1.00 0.00 H new ATOM 0 HA PHE A 23 -21.288 -7.761 -4.622 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -18.865 -9.257 -4.526 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -19.589 -9.734 -6.049 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -19.391 -6.524 -4.074 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -18.834 -8.474 -7.862 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -18.693 -4.366 -5.082 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -18.136 -6.317 -8.871 1.00 0.00 H new ATOM 0 HZ PHE A 23 -18.067 -4.263 -7.481 1.00 0.00 H new ATOM 358 N MET A 24 -23.099 -8.886 -5.845 1.00 0.00 N ATOM 359 CA MET A 24 -24.151 -9.550 -6.668 1.00 0.00 C ATOM 360 C MET A 24 -23.526 -10.179 -7.916 1.00 0.00 C ATOM 361 O MET A 24 -22.579 -9.662 -8.476 1.00 0.00 O ATOM 362 CB MET A 24 -25.115 -8.428 -7.058 1.00 0.00 C ATOM 363 CG MET A 24 -26.493 -9.020 -7.358 1.00 0.00 C ATOM 364 SD MET A 24 -27.259 -9.582 -5.818 1.00 0.00 S ATOM 365 CE MET A 24 -28.962 -9.650 -6.422 1.00 0.00 C ATOM 0 H MET A 24 -23.301 -7.923 -5.576 1.00 0.00 H new ATOM 0 HA MET A 24 -24.655 -10.351 -6.127 1.00 0.00 H new ATOM 0 HB2 MET A 24 -25.188 -7.700 -6.250 1.00 0.00 H new ATOM 0 HB3 MET A 24 -24.737 -7.897 -7.932 1.00 0.00 H new ATOM 0 HG2 MET A 24 -27.124 -8.273 -7.839 1.00 0.00 H new ATOM 0 HG3 MET A 24 -26.399 -9.853 -8.054 1.00 0.00 H new ATOM 0 HE1 MET A 24 -29.623 -9.963 -5.614 1.00 0.00 H new ATOM 0 HE2 MET A 24 -29.263 -8.663 -6.775 1.00 0.00 H new ATOM 0 HE3 MET A 24 -29.029 -10.364 -7.243 1.00 0.00 H new ATOM 375 N GLN A 25 -24.049 -11.291 -8.356 1.00 0.00 N ATOM 376 CA GLN A 25 -23.483 -11.953 -9.568 1.00 0.00 C ATOM 377 C GLN A 25 -24.605 -12.574 -10.403 1.00 0.00 C ATOM 378 O GLN A 25 -24.372 -13.425 -11.238 1.00 0.00 O ATOM 379 CB GLN A 25 -22.552 -13.039 -9.028 1.00 0.00 C ATOM 380 CG GLN A 25 -21.578 -13.470 -10.126 1.00 0.00 C ATOM 381 CD GLN A 25 -20.312 -12.613 -10.053 1.00 0.00 C ATOM 382 OE1 GLN A 25 -20.181 -11.777 -9.182 1.00 0.00 O ATOM 383 NE2 GLN A 25 -19.369 -12.788 -10.938 1.00 0.00 N ATOM 0 H GLN A 25 -24.843 -11.770 -7.930 1.00 0.00 H new ATOM 0 HA GLN A 25 -22.957 -11.251 -10.215 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -22.001 -12.664 -8.165 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -23.134 -13.895 -8.687 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -21.324 -14.523 -10.008 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -22.046 -13.363 -11.104 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -19.480 -13.490 -11.669 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -18.521 -12.222 -10.898 1.00 0.00 H new ATOM 392 N ASN A 26 -25.821 -12.155 -10.185 1.00 0.00 N ATOM 393 CA ASN A 26 -26.957 -12.722 -10.968 1.00 0.00 C ATOM 394 C ASN A 26 -27.745 -11.600 -11.647 1.00 0.00 C ATOM 395 O ASN A 26 -28.923 -11.433 -11.404 1.00 0.00 O ATOM 396 CB ASN A 26 -27.827 -13.442 -9.937 1.00 0.00 C ATOM 397 CG ASN A 26 -29.125 -13.907 -10.599 1.00 0.00 C ATOM 398 OD1 ASN A 26 -29.136 -14.258 -11.763 1.00 0.00 O ATOM 399 ND2 ASN A 26 -30.228 -13.925 -9.902 1.00 0.00 N ATOM 0 H ASN A 26 -26.078 -11.445 -9.499 1.00 0.00 H new ATOM 0 HA ASN A 26 -26.620 -13.394 -11.758 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -27.290 -14.297 -9.526 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -28.050 -12.775 -9.104 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -31.099 -14.234 -10.334 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -30.219 -13.631 -8.925 1.00 0.00 H new ATOM 406 N PRO A 27 -27.062 -10.866 -12.482 1.00 0.00 N ATOM 407 CA PRO A 27 -27.699 -9.744 -13.212 1.00 0.00 C ATOM 408 C PRO A 27 -28.627 -10.279 -14.308 1.00 0.00 C ATOM 409 O PRO A 27 -29.371 -9.539 -14.921 1.00 0.00 O ATOM 410 CB PRO A 27 -26.518 -8.992 -13.817 1.00 0.00 C ATOM 411 CG PRO A 27 -25.426 -10.010 -13.926 1.00 0.00 C ATOM 412 CD PRO A 27 -25.642 -11.012 -12.823 1.00 0.00 C ATOM 0 HA PRO A 27 -28.316 -9.112 -12.573 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -26.771 -8.579 -14.793 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -26.217 -8.156 -13.186 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -25.451 -10.498 -14.900 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -24.448 -9.538 -13.831 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -25.413 -12.025 -13.154 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -25.002 -10.805 -11.965 1.00 0.00 H new ATOM 420 N GLU A 28 -28.587 -11.559 -14.558 1.00 0.00 N ATOM 421 CA GLU A 28 -29.466 -12.140 -15.613 1.00 0.00 C ATOM 422 C GLU A 28 -30.921 -11.726 -15.378 1.00 0.00 C ATOM 423 O GLU A 28 -31.666 -11.489 -16.307 1.00 0.00 O ATOM 424 CB GLU A 28 -29.309 -13.655 -15.468 1.00 0.00 C ATOM 425 CG GLU A 28 -28.370 -14.178 -16.558 1.00 0.00 C ATOM 426 CD GLU A 28 -27.396 -15.189 -15.951 1.00 0.00 C ATOM 427 OE1 GLU A 28 -27.251 -15.189 -14.740 1.00 0.00 O ATOM 428 OE2 GLU A 28 -26.812 -15.948 -16.708 1.00 0.00 O ATOM 0 H GLU A 28 -27.984 -12.227 -14.078 1.00 0.00 H new ATOM 0 HA GLU A 28 -29.196 -11.795 -16.611 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -28.910 -13.897 -14.483 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -30.281 -14.141 -15.547 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -28.947 -14.646 -17.356 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -27.820 -13.351 -17.006 1.00 0.00 H new ATOM 435 N ASP A 29 -31.328 -11.635 -14.142 1.00 0.00 N ATOM 436 CA ASP A 29 -32.735 -11.235 -13.848 1.00 0.00 C ATOM 437 C ASP A 29 -32.762 -9.893 -13.112 1.00 0.00 C ATOM 438 O ASP A 29 -33.039 -8.862 -13.692 1.00 0.00 O ATOM 439 CB ASP A 29 -33.284 -12.348 -12.954 1.00 0.00 C ATOM 440 CG ASP A 29 -34.307 -13.175 -13.735 1.00 0.00 C ATOM 441 OD1 ASP A 29 -34.860 -12.650 -14.688 1.00 0.00 O ATOM 442 OD2 ASP A 29 -34.520 -14.318 -13.368 1.00 0.00 O ATOM 0 H ASP A 29 -30.749 -11.820 -13.323 1.00 0.00 H new ATOM 0 HA ASP A 29 -33.327 -11.111 -14.755 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -32.471 -12.987 -12.611 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -33.749 -11.919 -12.066 1.00 0.00 H new ATOM 447 N TRP A 30 -32.476 -9.899 -11.839 1.00 0.00 N ATOM 448 CA TRP A 30 -32.486 -8.622 -11.066 1.00 0.00 C ATOM 449 C TRP A 30 -33.883 -7.998 -11.093 1.00 0.00 C ATOM 450 O TRP A 30 -34.324 -7.484 -12.102 1.00 0.00 O ATOM 451 CB TRP A 30 -31.480 -7.719 -11.782 1.00 0.00 C ATOM 452 CG TRP A 30 -31.027 -6.641 -10.850 1.00 0.00 C ATOM 453 CD1 TRP A 30 -29.841 -6.627 -10.197 1.00 0.00 C ATOM 454 CD2 TRP A 30 -31.725 -5.424 -10.457 1.00 0.00 C ATOM 455 NE1 TRP A 30 -29.768 -5.479 -9.428 1.00 0.00 N ATOM 456 CE2 TRP A 30 -30.905 -4.706 -9.555 1.00 0.00 C ATOM 457 CE3 TRP A 30 -32.979 -4.880 -10.794 1.00 0.00 C ATOM 458 CZ2 TRP A 30 -31.314 -3.489 -9.005 1.00 0.00 C ATOM 459 CZ3 TRP A 30 -33.395 -3.655 -10.242 1.00 0.00 C ATOM 460 CH2 TRP A 30 -32.564 -2.963 -9.350 1.00 0.00 C ATOM 0 H TRP A 30 -32.236 -10.731 -11.300 1.00 0.00 H new ATOM 0 HA TRP A 30 -32.226 -8.771 -10.018 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -30.625 -8.305 -12.120 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -31.936 -7.280 -12.669 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -29.077 -7.387 -10.265 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -28.972 -5.234 -8.839 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -33.625 -5.406 -11.481 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -30.671 -2.958 -8.319 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -34.359 -3.246 -10.507 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -32.889 -2.023 -8.929 1.00 0.00 H new ATOM 471 N ASP A 31 -34.584 -8.038 -9.993 1.00 0.00 N ATOM 472 CA ASP A 31 -35.951 -7.447 -9.959 1.00 0.00 C ATOM 473 C ASP A 31 -36.053 -6.411 -8.835 1.00 0.00 C ATOM 474 O ASP A 31 -35.095 -6.139 -8.140 1.00 0.00 O ATOM 475 CB ASP A 31 -36.885 -8.627 -9.686 1.00 0.00 C ATOM 476 CG ASP A 31 -37.244 -9.310 -11.007 1.00 0.00 C ATOM 477 OD1 ASP A 31 -36.853 -8.795 -12.042 1.00 0.00 O ATOM 478 OD2 ASP A 31 -37.902 -10.335 -10.961 1.00 0.00 O ATOM 0 H ASP A 31 -34.269 -8.454 -9.117 1.00 0.00 H new ATOM 0 HA ASP A 31 -36.202 -6.934 -10.887 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -36.403 -9.339 -9.016 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -37.789 -8.281 -9.186 1.00 0.00 H new ATOM 483 N GLU A 32 -37.208 -5.830 -8.655 1.00 0.00 N ATOM 484 CA GLU A 32 -37.371 -4.811 -7.579 1.00 0.00 C ATOM 485 C GLU A 32 -37.228 -5.466 -6.202 1.00 0.00 C ATOM 486 O GLU A 32 -36.545 -4.963 -5.333 1.00 0.00 O ATOM 487 CB GLU A 32 -38.786 -4.263 -7.765 1.00 0.00 C ATOM 488 CG GLU A 32 -38.717 -2.891 -8.440 1.00 0.00 C ATOM 489 CD GLU A 32 -38.526 -3.071 -9.947 1.00 0.00 C ATOM 490 OE1 GLU A 32 -37.953 -4.076 -10.335 1.00 0.00 O ATOM 491 OE2 GLU A 32 -38.956 -2.202 -10.687 1.00 0.00 O ATOM 0 H GLU A 32 -38.046 -6.017 -9.206 1.00 0.00 H new ATOM 0 HA GLU A 32 -36.617 -4.026 -7.637 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -39.376 -4.949 -8.372 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -39.285 -4.181 -6.800 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -39.631 -2.331 -8.243 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -37.892 -2.311 -8.025 1.00 0.00 H new ATOM 498 N LYS A 33 -37.867 -6.584 -5.998 1.00 0.00 N ATOM 499 CA LYS A 33 -37.770 -7.270 -4.677 1.00 0.00 C ATOM 500 C LYS A 33 -36.319 -7.670 -4.392 1.00 0.00 C ATOM 501 O LYS A 33 -35.867 -7.636 -3.264 1.00 0.00 O ATOM 502 CB LYS A 33 -38.651 -8.512 -4.811 1.00 0.00 C ATOM 503 CG LYS A 33 -39.439 -8.722 -3.518 1.00 0.00 C ATOM 504 CD LYS A 33 -38.486 -9.160 -2.404 1.00 0.00 C ATOM 505 CE LYS A 33 -39.129 -8.883 -1.043 1.00 0.00 C ATOM 506 NZ LYS A 33 -39.787 -10.164 -0.662 1.00 0.00 N ATOM 0 H LYS A 33 -38.453 -7.053 -6.689 1.00 0.00 H new ATOM 0 HA LYS A 33 -38.089 -6.629 -3.855 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -39.335 -8.396 -5.651 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -38.035 -9.387 -5.020 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -39.946 -7.800 -3.235 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -40.211 -9.477 -3.669 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -38.259 -10.222 -2.502 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -37.541 -8.623 -2.488 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -38.382 -8.588 -0.306 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -39.853 -8.071 -1.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -40.251 -10.054 0.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -40.497 -10.416 -1.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -39.072 -10.917 -0.603 1.00 0.00 H new ATOM 520 N VAL A 34 -35.588 -8.050 -5.403 1.00 0.00 N ATOM 521 CA VAL A 34 -34.168 -8.453 -5.187 1.00 0.00 C ATOM 522 C VAL A 34 -33.337 -7.251 -4.727 1.00 0.00 C ATOM 523 O VAL A 34 -32.675 -7.296 -3.709 1.00 0.00 O ATOM 524 CB VAL A 34 -33.686 -8.948 -6.551 1.00 0.00 C ATOM 525 CG1 VAL A 34 -32.159 -9.040 -6.550 1.00 0.00 C ATOM 526 CG2 VAL A 34 -34.279 -10.330 -6.829 1.00 0.00 C ATOM 0 H VAL A 34 -35.911 -8.099 -6.369 1.00 0.00 H new ATOM 0 HA VAL A 34 -34.069 -9.218 -4.416 1.00 0.00 H new ATOM 0 HB VAL A 34 -34.007 -8.251 -7.325 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -31.815 -9.393 -7.522 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -31.735 -8.056 -6.351 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -31.837 -9.737 -5.776 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -33.936 -10.684 -7.801 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -33.957 -11.027 -6.055 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -35.367 -10.266 -6.829 1.00 0.00 H new ATOM 536 N ALA A 35 -33.362 -6.181 -5.472 1.00 0.00 N ATOM 537 CA ALA A 35 -32.570 -4.979 -5.079 1.00 0.00 C ATOM 538 C ALA A 35 -32.964 -4.519 -3.672 1.00 0.00 C ATOM 539 O ALA A 35 -32.127 -4.143 -2.876 1.00 0.00 O ATOM 540 CB ALA A 35 -32.933 -3.912 -6.112 1.00 0.00 C ATOM 0 H ALA A 35 -33.896 -6.086 -6.336 1.00 0.00 H new ATOM 0 HA ALA A 35 -31.499 -5.180 -5.058 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -32.390 -2.993 -5.892 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -32.664 -4.263 -7.108 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -34.005 -3.718 -6.073 1.00 0.00 H new ATOM 546 N GLU A 36 -34.231 -4.543 -3.361 1.00 0.00 N ATOM 547 CA GLU A 36 -34.676 -4.103 -2.007 1.00 0.00 C ATOM 548 C GLU A 36 -34.026 -4.970 -0.925 1.00 0.00 C ATOM 549 O GLU A 36 -33.277 -4.488 -0.096 1.00 0.00 O ATOM 550 CB GLU A 36 -36.192 -4.297 -2.010 1.00 0.00 C ATOM 551 CG GLU A 36 -36.839 -3.291 -1.056 1.00 0.00 C ATOM 552 CD GLU A 36 -37.542 -4.040 0.077 1.00 0.00 C ATOM 553 OE1 GLU A 36 -37.168 -5.172 0.334 1.00 0.00 O ATOM 554 OE2 GLU A 36 -38.444 -3.469 0.669 1.00 0.00 O ATOM 0 H GLU A 36 -34.978 -4.848 -3.985 1.00 0.00 H new ATOM 0 HA GLU A 36 -34.395 -3.071 -1.795 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -36.584 -4.162 -3.018 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -36.439 -5.314 -1.705 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -36.082 -2.622 -0.648 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -37.555 -2.671 -1.595 1.00 0.00 H new ATOM 561 N TRP A 37 -34.308 -6.243 -0.922 1.00 0.00 N ATOM 562 CA TRP A 37 -33.709 -7.139 0.110 1.00 0.00 C ATOM 563 C TRP A 37 -32.190 -6.949 0.165 1.00 0.00 C ATOM 564 O TRP A 37 -31.573 -7.110 1.199 1.00 0.00 O ATOM 565 CB TRP A 37 -34.055 -8.555 -0.350 1.00 0.00 C ATOM 566 CG TRP A 37 -33.239 -9.545 0.419 1.00 0.00 C ATOM 567 CD1 TRP A 37 -33.533 -9.997 1.659 1.00 0.00 C ATOM 568 CD2 TRP A 37 -32.005 -10.210 0.022 1.00 0.00 C ATOM 569 NE1 TRP A 37 -32.558 -10.897 2.050 1.00 0.00 N ATOM 570 CE2 TRP A 37 -31.595 -11.063 1.075 1.00 0.00 C ATOM 571 CE3 TRP A 37 -31.209 -10.159 -1.139 1.00 0.00 C ATOM 572 CZ2 TRP A 37 -30.437 -11.836 0.980 1.00 0.00 C ATOM 573 CZ3 TRP A 37 -30.042 -10.935 -1.239 1.00 0.00 C ATOM 574 CH2 TRP A 37 -29.657 -11.772 -0.180 1.00 0.00 C ATOM 0 H TRP A 37 -34.927 -6.703 -1.589 1.00 0.00 H new ATOM 0 HA TRP A 37 -34.089 -6.928 1.110 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -35.117 -8.748 -0.199 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -33.861 -8.659 -1.417 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -34.389 -9.703 2.248 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -32.551 -11.379 2.949 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -31.498 -9.518 -1.959 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -30.145 -12.480 1.797 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -29.439 -10.887 -2.134 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -28.759 -12.366 -0.260 1.00 0.00 H new ATOM 585 N LEU A 38 -31.582 -6.612 -0.939 1.00 0.00 N ATOM 586 CA LEU A 38 -30.104 -6.416 -0.947 1.00 0.00 C ATOM 587 C LEU A 38 -29.720 -5.219 -0.071 1.00 0.00 C ATOM 588 O LEU A 38 -28.876 -5.320 0.797 1.00 0.00 O ATOM 589 CB LEU A 38 -29.749 -6.146 -2.409 1.00 0.00 C ATOM 590 CG LEU A 38 -28.938 -7.318 -2.963 1.00 0.00 C ATOM 591 CD1 LEU A 38 -28.418 -6.966 -4.358 1.00 0.00 C ATOM 592 CD2 LEU A 38 -27.755 -7.602 -2.036 1.00 0.00 C ATOM 0 H LEU A 38 -32.044 -6.464 -1.836 1.00 0.00 H new ATOM 0 HA LEU A 38 -29.572 -7.281 -0.550 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -30.658 -6.010 -2.995 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -29.175 -5.223 -2.490 1.00 0.00 H new ATOM 0 HG LEU A 38 -29.573 -8.202 -3.025 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -27.840 -7.802 -4.752 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -29.260 -6.763 -5.020 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -27.783 -6.082 -4.297 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -27.176 -8.437 -2.430 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -27.120 -6.718 -1.975 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -28.124 -7.853 -1.042 1.00 0.00 H new ATOM 604 N ALA A 39 -30.328 -4.087 -0.294 1.00 0.00 N ATOM 605 CA ALA A 39 -29.993 -2.886 0.525 1.00 0.00 C ATOM 606 C ALA A 39 -30.324 -3.137 1.998 1.00 0.00 C ATOM 607 O ALA A 39 -29.691 -2.600 2.886 1.00 0.00 O ATOM 608 CB ALA A 39 -30.868 -1.766 -0.039 1.00 0.00 C ATOM 0 H ALA A 39 -31.042 -3.941 -1.007 1.00 0.00 H new ATOM 0 HA ALA A 39 -28.933 -2.638 0.478 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -30.680 -0.845 0.512 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -30.630 -1.614 -1.092 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -31.918 -2.040 0.060 1.00 0.00 H new ATOM 614 N ARG A 40 -31.313 -3.946 2.267 1.00 0.00 N ATOM 615 CA ARG A 40 -31.683 -4.227 3.684 1.00 0.00 C ATOM 616 C ARG A 40 -30.661 -5.170 4.325 1.00 0.00 C ATOM 617 O ARG A 40 -30.432 -5.134 5.517 1.00 0.00 O ATOM 618 CB ARG A 40 -33.057 -4.895 3.610 1.00 0.00 C ATOM 619 CG ARG A 40 -33.894 -4.478 4.820 1.00 0.00 C ATOM 620 CD ARG A 40 -34.205 -5.709 5.676 1.00 0.00 C ATOM 621 NE ARG A 40 -34.153 -5.221 7.082 1.00 0.00 N ATOM 622 CZ ARG A 40 -33.000 -4.988 7.650 1.00 0.00 C ATOM 623 NH1 ARG A 40 -32.001 -5.805 7.458 1.00 0.00 N ATOM 624 NH2 ARG A 40 -32.848 -3.937 8.409 1.00 0.00 N ATOM 0 H ARG A 40 -31.880 -4.424 1.567 1.00 0.00 H new ATOM 0 HA ARG A 40 -31.701 -3.322 4.291 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -33.563 -4.608 2.688 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -32.945 -5.979 3.588 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -33.354 -3.738 5.411 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -34.820 -4.008 4.490 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -35.186 -6.119 5.436 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -33.477 -6.503 5.506 1.00 0.00 H new ATOM 0 HE ARG A 40 -35.018 -5.069 7.601 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -32.120 -6.626 6.864 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -31.101 -5.623 7.902 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -33.629 -3.298 8.558 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -31.948 -3.754 8.853 1.00 0.00 H new ATOM 638 N GLU A 41 -30.047 -6.016 3.543 1.00 0.00 N ATOM 639 CA GLU A 41 -29.043 -6.961 4.111 1.00 0.00 C ATOM 640 C GLU A 41 -27.723 -6.234 4.385 1.00 0.00 C ATOM 641 O GLU A 41 -27.053 -6.494 5.365 1.00 0.00 O ATOM 642 CB GLU A 41 -28.852 -8.030 3.033 1.00 0.00 C ATOM 643 CG GLU A 41 -28.468 -9.356 3.694 1.00 0.00 C ATOM 644 CD GLU A 41 -28.144 -10.390 2.613 1.00 0.00 C ATOM 645 OE1 GLU A 41 -27.721 -9.985 1.542 1.00 0.00 O ATOM 646 OE2 GLU A 41 -28.323 -11.567 2.874 1.00 0.00 O ATOM 0 H GLU A 41 -30.197 -6.094 2.537 1.00 0.00 H new ATOM 0 HA GLU A 41 -29.370 -7.389 5.058 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -29.770 -8.150 2.458 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -28.075 -7.722 2.333 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -27.606 -9.213 4.346 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -29.286 -9.713 4.320 1.00 0.00 H new ATOM 653 N LEU A 42 -27.343 -5.327 3.528 1.00 0.00 N ATOM 654 CA LEU A 42 -26.066 -4.587 3.742 1.00 0.00 C ATOM 655 C LEU A 42 -26.268 -3.461 4.759 1.00 0.00 C ATOM 656 O LEU A 42 -25.620 -3.416 5.786 1.00 0.00 O ATOM 657 CB LEU A 42 -25.704 -4.014 2.372 1.00 0.00 C ATOM 658 CG LEU A 42 -24.183 -3.909 2.249 1.00 0.00 C ATOM 659 CD1 LEU A 42 -23.560 -5.294 2.431 1.00 0.00 C ATOM 660 CD2 LEU A 42 -23.822 -3.367 0.863 1.00 0.00 C ATOM 0 H LEU A 42 -27.861 -5.066 2.689 1.00 0.00 H new ATOM 0 HA LEU A 42 -25.279 -5.230 4.135 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -26.100 -4.653 1.583 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -26.159 -3.031 2.245 1.00 0.00 H new ATOM 0 HG LEU A 42 -23.801 -3.235 3.016 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -22.476 -5.220 2.343 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -23.819 -5.683 3.416 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -23.941 -5.968 1.664 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -22.738 -3.291 0.773 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -24.203 -4.043 0.097 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -24.267 -2.381 0.731 1.00 0.00 H new ATOM 672 N GLU A 43 -27.161 -2.550 4.483 1.00 0.00 N ATOM 673 CA GLU A 43 -27.400 -1.427 5.434 1.00 0.00 C ATOM 674 C GLU A 43 -28.578 -1.757 6.355 1.00 0.00 C ATOM 675 O GLU A 43 -28.403 -2.232 7.459 1.00 0.00 O ATOM 676 CB GLU A 43 -27.731 -0.223 4.552 1.00 0.00 C ATOM 677 CG GLU A 43 -26.486 0.193 3.767 1.00 0.00 C ATOM 678 CD GLU A 43 -26.778 1.477 2.988 1.00 0.00 C ATOM 679 OE1 GLU A 43 -27.531 1.407 2.030 1.00 0.00 O ATOM 680 OE2 GLU A 43 -26.245 2.508 3.364 1.00 0.00 O ATOM 0 H GLU A 43 -27.735 -2.535 3.640 1.00 0.00 H new ATOM 0 HA GLU A 43 -26.538 -1.238 6.074 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -28.540 -0.473 3.865 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -28.080 0.607 5.167 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -25.650 0.351 4.448 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -26.193 -0.602 3.081 1.00 0.00 H new ATOM 687 N GLY A 44 -29.779 -1.506 5.909 1.00 0.00 N ATOM 688 CA GLY A 44 -30.967 -1.804 6.758 1.00 0.00 C ATOM 689 C GLY A 44 -32.150 -0.951 6.297 1.00 0.00 C ATOM 690 O GLY A 44 -32.921 -0.458 7.096 1.00 0.00 O ATOM 0 H GLY A 44 -29.988 -1.108 4.994 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -31.220 -2.862 6.690 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -30.741 -1.597 7.804 1.00 0.00 H new ATOM 694 N ILE A 45 -32.301 -0.774 5.013 1.00 0.00 N ATOM 695 CA ILE A 45 -33.435 0.048 4.501 1.00 0.00 C ATOM 696 C ILE A 45 -34.726 -0.776 4.496 1.00 0.00 C ATOM 697 O ILE A 45 -35.066 -1.407 3.515 1.00 0.00 O ATOM 698 CB ILE A 45 -33.038 0.430 3.075 1.00 0.00 C ATOM 699 CG1 ILE A 45 -31.919 1.473 3.121 1.00 0.00 C ATOM 700 CG2 ILE A 45 -34.248 1.017 2.347 1.00 0.00 C ATOM 701 CD1 ILE A 45 -30.785 1.047 2.186 1.00 0.00 C ATOM 0 H ILE A 45 -31.688 -1.163 4.296 1.00 0.00 H new ATOM 0 HA ILE A 45 -33.620 0.925 5.121 1.00 0.00 H new ATOM 0 HB ILE A 45 -32.690 -0.457 2.545 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -32.304 2.448 2.822 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -31.545 1.576 4.140 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -33.964 1.289 1.330 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -35.048 0.277 2.315 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -34.596 1.904 2.876 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -29.988 1.790 2.219 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -30.394 0.081 2.505 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -31.164 0.966 1.167 1.00 0.00 H new ATOM 713 N GLN A 46 -35.448 -0.774 5.583 1.00 0.00 N ATOM 714 CA GLN A 46 -36.715 -1.556 5.636 1.00 0.00 C ATOM 715 C GLN A 46 -37.526 -1.333 4.357 1.00 0.00 C ATOM 716 O GLN A 46 -38.257 -2.197 3.914 1.00 0.00 O ATOM 717 CB GLN A 46 -37.467 -1.011 6.852 1.00 0.00 C ATOM 718 CG GLN A 46 -36.699 -1.361 8.128 1.00 0.00 C ATOM 719 CD GLN A 46 -37.069 -0.373 9.235 1.00 0.00 C ATOM 720 OE1 GLN A 46 -37.494 0.731 8.962 1.00 0.00 O ATOM 721 NE2 GLN A 46 -36.925 -0.727 10.483 1.00 0.00 N ATOM 0 H GLN A 46 -35.215 -0.265 6.436 1.00 0.00 H new ATOM 0 HA GLN A 46 -36.537 -2.628 5.716 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -37.580 0.070 6.768 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -38.471 -1.434 6.892 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -36.936 -2.378 8.440 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -35.626 -1.327 7.940 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -36.568 -1.655 10.712 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -37.170 -0.076 11.229 1.00 0.00 H new ATOM 730 N LYS A 47 -37.402 -0.180 3.759 1.00 0.00 N ATOM 731 CA LYS A 47 -38.164 0.099 2.508 1.00 0.00 C ATOM 732 C LYS A 47 -37.386 1.078 1.624 1.00 0.00 C ATOM 733 O LYS A 47 -37.203 2.229 1.967 1.00 0.00 O ATOM 734 CB LYS A 47 -39.478 0.725 2.976 1.00 0.00 C ATOM 735 CG LYS A 47 -40.457 -0.381 3.373 1.00 0.00 C ATOM 736 CD LYS A 47 -41.796 0.243 3.774 1.00 0.00 C ATOM 737 CE LYS A 47 -42.413 -0.565 4.918 1.00 0.00 C ATOM 738 NZ LYS A 47 -42.219 0.277 6.131 1.00 0.00 N ATOM 0 H LYS A 47 -36.806 0.582 4.082 1.00 0.00 H new ATOM 0 HA LYS A 47 -38.331 -0.800 1.915 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -39.297 1.386 3.823 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -39.906 1.336 2.181 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -40.600 -1.071 2.541 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -40.051 -0.961 4.202 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -41.649 1.278 4.083 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -42.472 0.259 2.919 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -43.470 -0.761 4.738 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -41.924 -1.533 5.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -42.617 -0.210 6.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -41.203 0.441 6.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -42.701 1.189 6.001 1.00 0.00 H new ATOM 752 N MET A 48 -36.926 0.629 0.488 1.00 0.00 N ATOM 753 CA MET A 48 -36.160 1.534 -0.417 1.00 0.00 C ATOM 754 C MET A 48 -36.834 2.908 -0.488 1.00 0.00 C ATOM 755 O MET A 48 -37.977 3.030 -0.878 1.00 0.00 O ATOM 756 CB MET A 48 -36.194 0.849 -1.784 1.00 0.00 C ATOM 757 CG MET A 48 -35.143 -0.262 -1.825 1.00 0.00 C ATOM 758 SD MET A 48 -33.512 0.462 -2.128 1.00 0.00 S ATOM 759 CE MET A 48 -33.768 0.881 -3.869 1.00 0.00 C ATOM 0 H MET A 48 -37.047 -0.325 0.147 1.00 0.00 H new ATOM 0 HA MET A 48 -35.140 1.699 -0.069 1.00 0.00 H new ATOM 0 HB2 MET A 48 -37.185 0.434 -1.970 1.00 0.00 H new ATOM 0 HB3 MET A 48 -36.000 1.577 -2.572 1.00 0.00 H new ATOM 0 HG2 MET A 48 -35.140 -0.810 -0.883 1.00 0.00 H new ATOM 0 HG3 MET A 48 -35.386 -0.979 -2.609 1.00 0.00 H new ATOM 0 HE1 MET A 48 -32.850 1.300 -4.281 1.00 0.00 H new ATOM 0 HE2 MET A 48 -34.037 -0.018 -4.424 1.00 0.00 H new ATOM 0 HE3 MET A 48 -34.571 1.613 -3.953 1.00 0.00 H new ATOM 769 N THR A 49 -36.131 3.943 -0.114 1.00 0.00 N ATOM 770 CA THR A 49 -36.731 5.307 -0.160 1.00 0.00 C ATOM 771 C THR A 49 -37.001 5.718 -1.610 1.00 0.00 C ATOM 772 O THR A 49 -36.321 5.293 -2.523 1.00 0.00 O ATOM 773 CB THR A 49 -35.680 6.224 0.469 1.00 0.00 C ATOM 774 OG1 THR A 49 -34.404 5.922 -0.076 1.00 0.00 O ATOM 775 CG2 THR A 49 -35.655 6.011 1.983 1.00 0.00 C ATOM 0 H THR A 49 -35.168 3.903 0.221 1.00 0.00 H new ATOM 0 HA THR A 49 -37.684 5.356 0.367 1.00 0.00 H new ATOM 0 HB THR A 49 -35.929 7.263 0.256 1.00 0.00 H new ATOM 0 HG1 THR A 49 -33.801 6.681 0.064 1.00 0.00 H new ATOM 0 HG21 THR A 49 -34.906 6.665 2.430 1.00 0.00 H new ATOM 0 HG22 THR A 49 -36.635 6.244 2.399 1.00 0.00 H new ATOM 0 HG23 THR A 49 -35.406 4.972 2.200 1.00 0.00 H new ATOM 783 N GLU A 50 -37.989 6.541 -1.829 1.00 0.00 N ATOM 784 CA GLU A 50 -38.301 6.979 -3.220 1.00 0.00 C ATOM 785 C GLU A 50 -37.041 7.521 -3.899 1.00 0.00 C ATOM 786 O GLU A 50 -36.827 7.327 -5.079 1.00 0.00 O ATOM 787 CB GLU A 50 -39.344 8.085 -3.064 1.00 0.00 C ATOM 788 CG GLU A 50 -40.422 7.926 -4.137 1.00 0.00 C ATOM 789 CD GLU A 50 -41.795 7.824 -3.471 1.00 0.00 C ATOM 790 OE1 GLU A 50 -41.916 8.260 -2.337 1.00 0.00 O ATOM 791 OE2 GLU A 50 -42.703 7.313 -4.106 1.00 0.00 O ATOM 0 H GLU A 50 -38.594 6.929 -1.106 1.00 0.00 H new ATOM 0 HA GLU A 50 -38.667 6.159 -3.838 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -39.794 8.038 -2.072 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -38.869 9.062 -3.153 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -40.399 8.776 -4.819 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -40.228 7.034 -4.733 1.00 0.00 H new ATOM 798 N GLU A 51 -36.203 8.200 -3.162 1.00 0.00 N ATOM 799 CA GLU A 51 -34.958 8.752 -3.767 1.00 0.00 C ATOM 800 C GLU A 51 -34.018 7.613 -4.167 1.00 0.00 C ATOM 801 O GLU A 51 -33.391 7.648 -5.208 1.00 0.00 O ATOM 802 CB GLU A 51 -34.327 9.608 -2.669 1.00 0.00 C ATOM 803 CG GLU A 51 -34.472 11.088 -3.030 1.00 0.00 C ATOM 804 CD GLU A 51 -35.881 11.565 -2.677 1.00 0.00 C ATOM 805 OE1 GLU A 51 -36.661 10.751 -2.209 1.00 0.00 O ATOM 806 OE2 GLU A 51 -36.158 12.735 -2.880 1.00 0.00 O ATOM 0 H GLU A 51 -36.327 8.396 -2.169 1.00 0.00 H new ATOM 0 HA GLU A 51 -35.158 9.332 -4.668 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -34.810 9.407 -1.713 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -33.274 9.352 -2.554 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -33.731 11.679 -2.491 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -34.283 11.234 -4.094 1.00 0.00 H new ATOM 813 N HIS A 52 -33.916 6.600 -3.351 1.00 0.00 N ATOM 814 CA HIS A 52 -33.019 5.458 -3.687 1.00 0.00 C ATOM 815 C HIS A 52 -33.410 4.868 -5.045 1.00 0.00 C ATOM 816 O HIS A 52 -32.605 4.781 -5.951 1.00 0.00 O ATOM 817 CB HIS A 52 -33.244 4.436 -2.573 1.00 0.00 C ATOM 818 CG HIS A 52 -32.003 4.332 -1.730 1.00 0.00 C ATOM 819 ND1 HIS A 52 -31.992 4.667 -0.372 1.00 0.00 N ATOM 820 CD2 HIS A 52 -30.718 3.934 -2.030 1.00 0.00 C ATOM 821 CE1 HIS A 52 -30.740 4.467 0.089 1.00 0.00 C ATOM 822 NE2 HIS A 52 -29.956 4.027 -0.883 1.00 0.00 N ATOM 0 H HIS A 52 -34.415 6.514 -2.466 1.00 0.00 H new ATOM 0 HA HIS A 52 -31.973 5.758 -3.757 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -34.091 4.735 -1.956 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -33.488 3.464 -3.001 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -32.787 5.002 0.172 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -30.367 3.606 -2.997 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -30.422 4.641 1.106 1.00 0.00 H new ATOM 830 N TRP A 53 -34.643 4.466 -5.194 1.00 0.00 N ATOM 831 CA TRP A 53 -35.085 3.886 -6.493 1.00 0.00 C ATOM 832 C TRP A 53 -34.896 4.910 -7.615 1.00 0.00 C ATOM 833 O TRP A 53 -34.683 4.559 -8.759 1.00 0.00 O ATOM 834 CB TRP A 53 -36.568 3.565 -6.301 1.00 0.00 C ATOM 835 CG TRP A 53 -36.712 2.157 -5.821 1.00 0.00 C ATOM 836 CD1 TRP A 53 -37.419 1.774 -4.732 1.00 0.00 C ATOM 837 CD2 TRP A 53 -36.151 0.939 -6.392 1.00 0.00 C ATOM 838 NE1 TRP A 53 -37.327 0.401 -4.598 1.00 0.00 N ATOM 839 CE2 TRP A 53 -36.557 -0.160 -5.598 1.00 0.00 C ATOM 840 CE3 TRP A 53 -35.337 0.685 -7.513 1.00 0.00 C ATOM 841 CZ2 TRP A 53 -36.168 -1.465 -5.903 1.00 0.00 C ATOM 842 CZ3 TRP A 53 -34.943 -0.628 -7.824 1.00 0.00 C ATOM 843 CH2 TRP A 53 -35.359 -1.700 -7.021 1.00 0.00 C ATOM 0 H TRP A 53 -35.362 4.514 -4.473 1.00 0.00 H new ATOM 0 HA TRP A 53 -34.512 3.001 -6.769 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -37.010 4.254 -5.581 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -37.105 3.698 -7.240 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -37.966 2.434 -4.075 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -37.773 -0.132 -3.852 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -35.013 1.504 -8.138 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -36.489 -2.288 -5.281 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -34.317 -0.812 -8.685 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -35.055 -2.707 -7.265 1.00 0.00 H new ATOM 854 N LYS A 54 -34.967 6.173 -7.295 1.00 0.00 N ATOM 855 CA LYS A 54 -34.784 7.217 -8.344 1.00 0.00 C ATOM 856 C LYS A 54 -33.346 7.185 -8.867 1.00 0.00 C ATOM 857 O LYS A 54 -33.103 7.295 -10.052 1.00 0.00 O ATOM 858 CB LYS A 54 -35.069 8.543 -7.638 1.00 0.00 C ATOM 859 CG LYS A 54 -35.822 9.477 -8.588 1.00 0.00 C ATOM 860 CD LYS A 54 -37.105 8.792 -9.064 1.00 0.00 C ATOM 861 CE LYS A 54 -38.153 9.854 -9.410 1.00 0.00 C ATOM 862 NZ LYS A 54 -38.709 10.286 -8.098 1.00 0.00 N ATOM 0 H LYS A 54 -35.143 6.527 -6.355 1.00 0.00 H new ATOM 0 HA LYS A 54 -35.440 7.065 -9.201 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -35.660 8.369 -6.739 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -34.135 9.006 -7.321 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -36.062 10.412 -8.082 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -35.193 9.729 -9.442 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -36.897 8.173 -9.937 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -37.486 8.129 -8.287 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -37.705 10.692 -9.944 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -38.932 9.445 -10.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -39.737 10.128 -8.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -38.266 9.735 -7.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -38.513 11.297 -7.954 1.00 0.00 H new ATOM 876 N LEU A 55 -32.392 7.029 -7.990 1.00 0.00 N ATOM 877 CA LEU A 55 -30.970 6.984 -8.435 1.00 0.00 C ATOM 878 C LEU A 55 -30.713 5.703 -9.232 1.00 0.00 C ATOM 879 O LEU A 55 -29.989 5.702 -10.208 1.00 0.00 O ATOM 880 CB LEU A 55 -30.152 6.987 -7.143 1.00 0.00 C ATOM 881 CG LEU A 55 -28.894 7.834 -7.338 1.00 0.00 C ATOM 882 CD1 LEU A 55 -29.270 9.317 -7.322 1.00 0.00 C ATOM 883 CD2 LEU A 55 -27.907 7.546 -6.204 1.00 0.00 C ATOM 0 H LEU A 55 -32.536 6.931 -6.985 1.00 0.00 H new ATOM 0 HA LEU A 55 -30.709 7.821 -9.083 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -30.749 7.387 -6.323 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -29.878 5.968 -6.871 1.00 0.00 H new ATOM 0 HG LEU A 55 -28.433 7.587 -8.294 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -28.373 9.921 -7.461 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -29.975 9.522 -8.128 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -29.730 9.565 -6.366 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -27.009 8.149 -6.341 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -28.368 7.794 -5.248 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -27.639 6.489 -6.214 1.00 0.00 H new ATOM 895 N VAL A 56 -31.304 4.613 -8.824 1.00 0.00 N ATOM 896 CA VAL A 56 -31.097 3.333 -9.560 1.00 0.00 C ATOM 897 C VAL A 56 -31.689 3.436 -10.969 1.00 0.00 C ATOM 898 O VAL A 56 -31.120 2.952 -11.928 1.00 0.00 O ATOM 899 CB VAL A 56 -31.843 2.280 -8.739 1.00 0.00 C ATOM 900 CG1 VAL A 56 -32.038 1.018 -9.580 1.00 0.00 C ATOM 901 CG2 VAL A 56 -31.026 1.939 -7.490 1.00 0.00 C ATOM 0 H VAL A 56 -31.921 4.553 -8.014 1.00 0.00 H new ATOM 0 HA VAL A 56 -30.042 3.086 -9.675 1.00 0.00 H new ATOM 0 HB VAL A 56 -32.816 2.672 -8.444 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -32.570 0.269 -8.994 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -32.618 1.260 -10.471 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -31.066 0.624 -9.876 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -31.555 1.189 -6.903 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -30.053 1.547 -7.787 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -30.887 2.838 -6.889 1.00 0.00 H new ATOM 911 N LYS A 57 -32.826 4.062 -11.099 1.00 0.00 N ATOM 912 CA LYS A 57 -33.453 4.197 -12.445 1.00 0.00 C ATOM 913 C LYS A 57 -32.570 5.059 -13.352 1.00 0.00 C ATOM 914 O LYS A 57 -32.238 4.676 -14.456 1.00 0.00 O ATOM 915 CB LYS A 57 -34.794 4.885 -12.190 1.00 0.00 C ATOM 916 CG LYS A 57 -35.764 3.893 -11.544 1.00 0.00 C ATOM 917 CD LYS A 57 -37.144 4.036 -12.186 1.00 0.00 C ATOM 918 CE LYS A 57 -37.259 3.077 -13.373 1.00 0.00 C ATOM 919 NZ LYS A 57 -37.039 1.722 -12.795 1.00 0.00 N ATOM 0 H LYS A 57 -33.348 4.486 -10.332 1.00 0.00 H new ATOM 0 HA LYS A 57 -33.578 3.235 -12.943 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -34.654 5.748 -11.539 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -35.208 5.256 -13.127 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -35.397 2.875 -11.670 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -35.829 4.078 -10.472 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -37.921 3.819 -11.453 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -37.297 5.063 -12.519 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -38.238 3.150 -13.846 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -36.517 3.305 -14.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -37.621 1.028 -13.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -36.035 1.465 -12.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -37.307 1.726 -11.790 1.00 0.00 H new ATOM 933 N TYR A 58 -32.188 6.220 -12.893 1.00 0.00 N ATOM 934 CA TYR A 58 -31.327 7.103 -13.730 1.00 0.00 C ATOM 935 C TYR A 58 -30.041 6.369 -14.119 1.00 0.00 C ATOM 936 O TYR A 58 -29.578 6.459 -15.239 1.00 0.00 O ATOM 937 CB TYR A 58 -31.008 8.305 -12.840 1.00 0.00 C ATOM 938 CG TYR A 58 -30.870 9.541 -13.696 1.00 0.00 C ATOM 939 CD1 TYR A 58 -32.002 10.104 -14.302 1.00 0.00 C ATOM 940 CD2 TYR A 58 -29.611 10.126 -13.885 1.00 0.00 C ATOM 941 CE1 TYR A 58 -31.874 11.250 -15.096 1.00 0.00 C ATOM 942 CE2 TYR A 58 -29.484 11.273 -14.680 1.00 0.00 C ATOM 943 CZ TYR A 58 -30.615 11.835 -15.286 1.00 0.00 C ATOM 944 OH TYR A 58 -30.489 12.964 -16.068 1.00 0.00 O ATOM 0 H TYR A 58 -32.434 6.594 -11.977 1.00 0.00 H new ATOM 0 HA TYR A 58 -31.818 7.401 -14.657 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -31.799 8.446 -12.103 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -30.086 8.127 -12.287 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -32.973 9.654 -14.156 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -28.739 9.693 -13.418 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -32.746 11.683 -15.562 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -28.514 11.724 -14.826 1.00 0.00 H new ATOM 0 HH TYR A 58 -31.179 12.959 -16.763 1.00 0.00 H new ATOM 954 N LEU A 59 -29.463 5.641 -13.204 1.00 0.00 N ATOM 955 CA LEU A 59 -28.208 4.900 -13.523 1.00 0.00 C ATOM 956 C LEU A 59 -28.483 3.836 -14.589 1.00 0.00 C ATOM 957 O LEU A 59 -27.657 3.566 -15.439 1.00 0.00 O ATOM 958 CB LEU A 59 -27.788 4.245 -12.207 1.00 0.00 C ATOM 959 CG LEU A 59 -26.777 5.141 -11.492 1.00 0.00 C ATOM 960 CD1 LEU A 59 -27.341 5.568 -10.135 1.00 0.00 C ATOM 961 CD2 LEU A 59 -25.473 4.369 -11.279 1.00 0.00 C ATOM 0 H LEU A 59 -29.804 5.527 -12.250 1.00 0.00 H new ATOM 0 HA LEU A 59 -27.430 5.554 -13.918 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -28.660 4.085 -11.573 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -27.350 3.266 -12.399 1.00 0.00 H new ATOM 0 HG LEU A 59 -26.583 6.025 -12.100 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -26.619 6.207 -9.626 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -28.271 6.117 -10.284 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -27.535 4.684 -9.527 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -24.751 5.007 -10.769 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -25.668 3.485 -10.672 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -25.069 4.064 -12.244 1.00 0.00 H new ATOM 973 N ARG A 60 -29.638 3.229 -14.550 1.00 0.00 N ATOM 974 CA ARG A 60 -29.965 2.183 -15.561 1.00 0.00 C ATOM 975 C ARG A 60 -29.849 2.761 -16.975 1.00 0.00 C ATOM 976 O ARG A 60 -29.428 2.093 -17.897 1.00 0.00 O ATOM 977 CB ARG A 60 -31.409 1.782 -15.263 1.00 0.00 C ATOM 978 CG ARG A 60 -31.426 0.429 -14.548 1.00 0.00 C ATOM 979 CD ARG A 60 -31.424 -0.698 -15.583 1.00 0.00 C ATOM 980 NE ARG A 60 -32.569 -0.393 -16.484 1.00 0.00 N ATOM 981 CZ ARG A 60 -33.783 -0.717 -16.130 1.00 0.00 C ATOM 982 NH1 ARG A 60 -34.474 0.079 -15.362 1.00 0.00 N ATOM 983 NH2 ARG A 60 -34.306 -1.839 -16.545 1.00 0.00 N ATOM 0 H ARG A 60 -30.369 3.412 -13.862 1.00 0.00 H new ATOM 0 HA ARG A 60 -29.287 1.331 -15.509 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -31.887 2.539 -14.642 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -31.980 1.723 -16.190 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -30.557 0.340 -13.896 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -32.309 0.352 -13.914 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -30.484 -0.726 -16.134 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -31.544 -1.671 -15.107 1.00 0.00 H new ATOM 0 HE ARG A 60 -32.405 0.069 -17.378 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -34.066 0.956 -15.037 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -35.423 -0.175 -15.086 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -33.766 -2.462 -17.146 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -35.255 -2.093 -16.269 1.00 0.00 H new ATOM 997 N GLU A 61 -30.219 4.000 -17.150 1.00 0.00 N ATOM 998 CA GLU A 61 -30.131 4.622 -18.503 1.00 0.00 C ATOM 999 C GLU A 61 -28.665 4.772 -18.920 1.00 0.00 C ATOM 1000 O GLU A 61 -28.320 4.616 -20.074 1.00 0.00 O ATOM 1001 CB GLU A 61 -30.788 5.994 -18.353 1.00 0.00 C ATOM 1002 CG GLU A 61 -32.308 5.845 -18.448 1.00 0.00 C ATOM 1003 CD GLU A 61 -32.971 7.194 -18.167 1.00 0.00 C ATOM 1004 OE1 GLU A 61 -32.881 8.065 -19.017 1.00 0.00 O ATOM 1005 OE2 GLU A 61 -33.557 7.334 -17.107 1.00 0.00 O ATOM 0 H GLU A 61 -30.579 4.609 -16.415 1.00 0.00 H new ATOM 0 HA GLU A 61 -30.620 4.018 -19.268 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -30.515 6.437 -17.395 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -30.429 6.668 -19.131 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -32.588 5.490 -19.440 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -32.657 5.100 -17.732 1.00 0.00 H new ATOM 1012 N TYR A 62 -27.802 5.073 -17.989 1.00 0.00 N ATOM 1013 CA TYR A 62 -26.360 5.232 -18.334 1.00 0.00 C ATOM 1014 C TYR A 62 -25.741 3.871 -18.659 1.00 0.00 C ATOM 1015 O TYR A 62 -24.828 3.769 -19.454 1.00 0.00 O ATOM 1016 CB TYR A 62 -25.717 5.829 -17.082 1.00 0.00 C ATOM 1017 CG TYR A 62 -24.551 6.700 -17.481 1.00 0.00 C ATOM 1018 CD1 TYR A 62 -23.303 6.123 -17.747 1.00 0.00 C ATOM 1019 CD2 TYR A 62 -24.718 8.088 -17.588 1.00 0.00 C ATOM 1020 CE1 TYR A 62 -22.220 6.931 -18.118 1.00 0.00 C ATOM 1021 CE2 TYR A 62 -23.636 8.897 -17.959 1.00 0.00 C ATOM 1022 CZ TYR A 62 -22.387 8.319 -18.225 1.00 0.00 C ATOM 1023 OH TYR A 62 -21.321 9.115 -18.591 1.00 0.00 O ATOM 0 H TYR A 62 -28.032 5.216 -17.006 1.00 0.00 H new ATOM 0 HA TYR A 62 -26.212 5.865 -19.209 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -26.450 6.416 -16.528 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -25.379 5.033 -16.419 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -23.175 5.054 -17.666 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -25.681 8.533 -17.384 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -21.258 6.485 -18.321 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -23.764 9.966 -18.040 1.00 0.00 H new ATOM 0 HH TYR A 62 -20.718 8.607 -19.173 1.00 0.00 H new ATOM 1033 N TRP A 63 -26.229 2.826 -18.051 1.00 0.00 N ATOM 1034 CA TRP A 63 -25.667 1.472 -18.328 1.00 0.00 C ATOM 1035 C TRP A 63 -25.779 1.150 -19.821 1.00 0.00 C ATOM 1036 O TRP A 63 -24.999 0.391 -20.362 1.00 0.00 O ATOM 1037 CB TRP A 63 -26.525 0.510 -17.506 1.00 0.00 C ATOM 1038 CG TRP A 63 -26.124 -0.897 -17.811 1.00 0.00 C ATOM 1039 CD1 TRP A 63 -24.865 -1.301 -18.100 1.00 0.00 C ATOM 1040 CD2 TRP A 63 -26.959 -2.091 -17.861 1.00 0.00 C ATOM 1041 NE1 TRP A 63 -24.875 -2.666 -18.326 1.00 0.00 N ATOM 1042 CE2 TRP A 63 -26.141 -3.198 -18.191 1.00 0.00 C ATOM 1043 CE3 TRP A 63 -28.333 -2.317 -17.657 1.00 0.00 C ATOM 1044 CZ2 TRP A 63 -26.669 -4.485 -18.312 1.00 0.00 C ATOM 1045 CZ3 TRP A 63 -28.868 -3.611 -17.777 1.00 0.00 C ATOM 1046 CH2 TRP A 63 -28.037 -4.692 -18.104 1.00 0.00 C ATOM 0 H TRP A 63 -26.992 2.849 -17.375 1.00 0.00 H new ATOM 0 HA TRP A 63 -24.612 1.401 -18.065 1.00 0.00 H new ATOM 0 HB2 TRP A 63 -26.401 0.713 -16.442 1.00 0.00 H new ATOM 0 HB3 TRP A 63 -27.580 0.658 -17.738 1.00 0.00 H new ATOM 0 HD1 TRP A 63 -23.995 -0.663 -18.147 1.00 0.00 H new ATOM 0 HE1 TRP A 63 -24.047 -3.213 -18.564 1.00 0.00 H new ATOM 0 HE3 TRP A 63 -28.981 -1.490 -17.406 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 -26.026 -5.315 -18.564 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 -29.924 -3.773 -17.617 1.00 0.00 H new ATOM 0 HH2 TRP A 63 -28.453 -5.684 -18.195 1.00 0.00 H new ATOM 1057 N GLU A 64 -26.741 1.722 -20.491 1.00 0.00 N ATOM 1058 CA GLU A 64 -26.902 1.450 -21.948 1.00 0.00 C ATOM 1059 C GLU A 64 -26.208 2.539 -22.769 1.00 0.00 C ATOM 1060 O GLU A 64 -26.611 2.852 -23.871 1.00 0.00 O ATOM 1061 CB GLU A 64 -28.411 1.474 -22.192 1.00 0.00 C ATOM 1062 CG GLU A 64 -29.026 0.154 -21.722 1.00 0.00 C ATOM 1063 CD GLU A 64 -28.645 -0.963 -22.695 1.00 0.00 C ATOM 1064 OE1 GLU A 64 -28.782 -0.754 -23.889 1.00 0.00 O ATOM 1065 OE2 GLU A 64 -28.220 -2.007 -22.230 1.00 0.00 O ATOM 0 H GLU A 64 -27.424 2.367 -20.092 1.00 0.00 H new ATOM 0 HA GLU A 64 -26.457 0.499 -22.242 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -28.863 2.309 -21.657 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -28.616 1.626 -23.252 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -28.673 -0.087 -20.719 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -30.111 0.246 -21.665 1.00 0.00 H new ATOM 1072 N THR A 65 -25.167 3.120 -22.239 1.00 0.00 N ATOM 1073 CA THR A 65 -24.446 4.190 -22.989 1.00 0.00 C ATOM 1074 C THR A 65 -22.933 3.984 -22.880 1.00 0.00 C ATOM 1075 O THR A 65 -22.231 3.941 -23.869 1.00 0.00 O ATOM 1076 CB THR A 65 -24.861 5.496 -22.309 1.00 0.00 C ATOM 1077 OG1 THR A 65 -26.193 5.376 -21.830 1.00 0.00 O ATOM 1078 CG2 THR A 65 -24.779 6.646 -23.314 1.00 0.00 C ATOM 0 H THR A 65 -24.784 2.901 -21.319 1.00 0.00 H new ATOM 0 HA THR A 65 -24.690 4.188 -24.051 1.00 0.00 H new ATOM 0 HB THR A 65 -24.191 5.700 -21.473 1.00 0.00 H new ATOM 0 HG1 THR A 65 -26.460 6.211 -21.393 1.00 0.00 H new ATOM 0 HG21 THR A 65 -25.075 7.576 -22.828 1.00 0.00 H new ATOM 0 HG22 THR A 65 -23.756 6.737 -23.680 1.00 0.00 H new ATOM 0 HG23 THR A 65 -25.447 6.446 -24.151 1.00 0.00 H new ATOM 1086 N PHE A 66 -22.427 3.857 -21.684 1.00 0.00 N ATOM 1087 CA PHE A 66 -20.960 3.655 -21.512 1.00 0.00 C ATOM 1088 C PHE A 66 -20.696 2.465 -20.585 1.00 0.00 C ATOM 1089 O PHE A 66 -20.379 1.378 -21.028 1.00 0.00 O ATOM 1090 CB PHE A 66 -20.453 4.951 -20.880 1.00 0.00 C ATOM 1091 CG PHE A 66 -20.105 5.938 -21.967 1.00 0.00 C ATOM 1092 CD1 PHE A 66 -19.021 5.689 -22.819 1.00 0.00 C ATOM 1093 CD2 PHE A 66 -20.866 7.104 -22.126 1.00 0.00 C ATOM 1094 CE1 PHE A 66 -18.698 6.605 -23.829 1.00 0.00 C ATOM 1095 CE2 PHE A 66 -20.543 8.020 -23.137 1.00 0.00 C ATOM 1096 CZ PHE A 66 -19.459 7.770 -23.988 1.00 0.00 C ATOM 0 H PHE A 66 -22.966 3.884 -20.818 1.00 0.00 H new ATOM 0 HA PHE A 66 -20.459 3.439 -22.456 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -21.215 5.371 -20.224 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -19.577 4.749 -20.263 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -18.434 4.791 -22.697 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -21.702 7.297 -21.469 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -17.862 6.413 -24.485 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -21.130 8.918 -23.260 1.00 0.00 H new ATOM 0 HZ PHE A 66 -19.210 8.476 -24.767 1.00 0.00 H new ATOM 1106 N GLY A 67 -20.824 2.660 -19.301 1.00 0.00 N ATOM 1107 CA GLY A 67 -20.581 1.540 -18.348 1.00 0.00 C ATOM 1108 C GLY A 67 -21.207 1.875 -16.994 1.00 0.00 C ATOM 1109 O GLY A 67 -20.787 1.382 -15.966 1.00 0.00 O ATOM 0 H GLY A 67 -21.086 3.547 -18.871 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -21.008 0.617 -18.739 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -19.510 1.372 -18.234 1.00 0.00 H new ATOM 1113 N THR A 68 -22.208 2.713 -16.984 1.00 0.00 N ATOM 1114 CA THR A 68 -22.860 3.080 -15.694 1.00 0.00 C ATOM 1115 C THR A 68 -21.834 3.693 -14.737 1.00 0.00 C ATOM 1116 O THR A 68 -20.738 4.041 -15.126 1.00 0.00 O ATOM 1117 CB THR A 68 -23.399 1.762 -15.133 1.00 0.00 C ATOM 1118 OG1 THR A 68 -23.678 0.873 -16.205 1.00 0.00 O ATOM 1119 CG2 THR A 68 -24.678 2.028 -14.340 1.00 0.00 C ATOM 0 H THR A 68 -22.602 3.159 -17.812 1.00 0.00 H new ATOM 0 HA THR A 68 -23.650 3.819 -15.826 1.00 0.00 H new ATOM 0 HB THR A 68 -22.654 1.315 -14.475 1.00 0.00 H new ATOM 0 HG1 THR A 68 -24.167 0.095 -15.866 1.00 0.00 H new ATOM 0 HG21 THR A 68 -25.061 1.089 -13.941 1.00 0.00 H new ATOM 0 HG22 THR A 68 -24.461 2.710 -13.518 1.00 0.00 H new ATOM 0 HG23 THR A 68 -25.426 2.476 -14.995 1.00 0.00 H new ATOM 1127 N CYS A 69 -22.183 3.828 -13.486 1.00 0.00 N ATOM 1128 CA CYS A 69 -21.228 4.419 -12.505 1.00 0.00 C ATOM 1129 C CYS A 69 -20.741 5.785 -12.998 1.00 0.00 C ATOM 1130 O CYS A 69 -19.563 5.980 -13.224 1.00 0.00 O ATOM 1131 CB CYS A 69 -20.066 3.428 -12.435 1.00 0.00 C ATOM 1132 SG CYS A 69 -20.248 2.389 -10.964 1.00 0.00 S ATOM 0 H CYS A 69 -23.087 3.555 -13.101 1.00 0.00 H new ATOM 0 HA CYS A 69 -21.685 4.579 -11.529 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -20.048 2.808 -13.331 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -19.118 3.965 -12.399 1.00 0.00 H new ATOM 1137 N PRO A 70 -21.673 6.686 -13.147 1.00 0.00 N ATOM 1138 CA PRO A 70 -21.344 8.055 -13.618 1.00 0.00 C ATOM 1139 C PRO A 70 -20.630 8.843 -12.517 1.00 0.00 C ATOM 1140 O PRO A 70 -20.668 8.469 -11.361 1.00 0.00 O ATOM 1141 CB PRO A 70 -22.709 8.664 -13.927 1.00 0.00 C ATOM 1142 CG PRO A 70 -23.674 7.903 -13.074 1.00 0.00 C ATOM 1143 CD PRO A 70 -23.107 6.519 -12.892 1.00 0.00 C ATOM 0 HA PRO A 70 -20.674 8.064 -14.478 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -22.729 9.728 -13.692 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -22.955 8.566 -14.984 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -23.807 8.395 -12.110 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -24.655 7.858 -13.547 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -23.292 6.141 -11.887 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -23.556 5.809 -13.587 1.00 0.00 H new ATOM 1151 N PRO A 71 -20.004 9.915 -12.918 1.00 0.00 N ATOM 1152 CA PRO A 71 -19.270 10.774 -11.956 1.00 0.00 C ATOM 1153 C PRO A 71 -20.254 11.573 -11.096 1.00 0.00 C ATOM 1154 O PRO A 71 -21.455 11.451 -11.234 1.00 0.00 O ATOM 1155 CB PRO A 71 -18.457 11.702 -12.855 1.00 0.00 C ATOM 1156 CG PRO A 71 -19.205 11.743 -14.149 1.00 0.00 C ATOM 1157 CD PRO A 71 -19.918 10.422 -14.291 1.00 0.00 C ATOM 0 HA PRO A 71 -18.649 10.208 -11.262 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -18.369 12.697 -12.418 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -17.444 11.326 -12.997 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -19.917 12.568 -14.156 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -18.523 11.904 -14.984 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -20.907 10.548 -14.733 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -19.366 9.738 -14.935 1.00 0.00 H new ATOM 1165 N ILE A 72 -19.753 12.388 -10.209 1.00 0.00 N ATOM 1166 CA ILE A 72 -20.660 13.192 -9.341 1.00 0.00 C ATOM 1167 C ILE A 72 -21.008 14.518 -10.024 1.00 0.00 C ATOM 1168 O ILE A 72 -21.275 15.510 -9.376 1.00 0.00 O ATOM 1169 CB ILE A 72 -19.862 13.442 -8.061 1.00 0.00 C ATOM 1170 CG1 ILE A 72 -20.797 13.985 -6.977 1.00 0.00 C ATOM 1171 CG2 ILE A 72 -18.758 14.464 -8.338 1.00 0.00 C ATOM 1172 CD1 ILE A 72 -21.825 12.915 -6.607 1.00 0.00 C ATOM 0 H ILE A 72 -18.756 12.532 -10.048 1.00 0.00 H new ATOM 0 HA ILE A 72 -21.602 12.681 -9.142 1.00 0.00 H new ATOM 0 HB ILE A 72 -19.415 12.507 -7.723 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -20.222 14.272 -6.096 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -21.303 14.882 -7.334 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -18.189 14.642 -7.425 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -18.092 14.080 -9.111 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -19.204 15.399 -8.675 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -22.491 13.301 -5.835 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -22.408 12.650 -7.489 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -21.310 12.030 -6.232 1.00 0.00 H new ATOM 1184 N LYS A 73 -21.007 14.541 -11.330 1.00 0.00 N ATOM 1185 CA LYS A 73 -21.338 15.803 -12.053 1.00 0.00 C ATOM 1186 C LYS A 73 -22.454 15.552 -13.071 1.00 0.00 C ATOM 1187 O LYS A 73 -23.258 16.420 -13.351 1.00 0.00 O ATOM 1188 CB LYS A 73 -20.044 16.203 -12.763 1.00 0.00 C ATOM 1189 CG LYS A 73 -19.818 17.708 -12.601 1.00 0.00 C ATOM 1190 CD LYS A 73 -18.963 18.223 -13.760 1.00 0.00 C ATOM 1191 CE LYS A 73 -19.335 19.678 -14.061 1.00 0.00 C ATOM 1192 NZ LYS A 73 -18.248 20.177 -14.947 1.00 0.00 N ATOM 0 H LYS A 73 -20.792 13.742 -11.926 1.00 0.00 H new ATOM 0 HA LYS A 73 -21.692 16.584 -11.380 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -19.202 15.651 -12.346 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -20.102 15.945 -13.820 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -20.775 18.230 -12.581 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -19.323 17.912 -11.651 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -17.905 18.152 -13.506 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -19.120 17.606 -14.644 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -20.306 19.744 -14.552 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -19.400 20.266 -13.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -18.432 21.170 -15.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -17.337 20.108 -14.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -18.215 19.602 -15.813 1.00 0.00 H new ATOM 1206 N MET A 74 -22.510 14.373 -13.626 1.00 0.00 N ATOM 1207 CA MET A 74 -23.575 14.068 -14.625 1.00 0.00 C ATOM 1208 C MET A 74 -24.892 13.749 -13.912 1.00 0.00 C ATOM 1209 O MET A 74 -25.960 13.858 -14.482 1.00 0.00 O ATOM 1210 CB MET A 74 -23.066 12.844 -15.387 1.00 0.00 C ATOM 1211 CG MET A 74 -22.672 13.254 -16.807 1.00 0.00 C ATOM 1212 SD MET A 74 -20.938 12.823 -17.100 1.00 0.00 S ATOM 1213 CE MET A 74 -21.028 12.744 -18.905 1.00 0.00 C ATOM 0 H MET A 74 -21.865 13.607 -13.432 1.00 0.00 H new ATOM 0 HA MET A 74 -23.770 14.909 -15.291 1.00 0.00 H new ATOM 0 HB2 MET A 74 -22.209 12.412 -14.871 1.00 0.00 H new ATOM 0 HB3 MET A 74 -23.839 12.076 -15.420 1.00 0.00 H new ATOM 0 HG2 MET A 74 -23.311 12.751 -17.533 1.00 0.00 H new ATOM 0 HG3 MET A 74 -22.819 14.326 -16.942 1.00 0.00 H new ATOM 0 HE1 MET A 74 -20.048 12.487 -19.307 1.00 0.00 H new ATOM 0 HE2 MET A 74 -21.752 11.984 -19.200 1.00 0.00 H new ATOM 0 HE3 MET A 74 -21.338 13.713 -19.297 1.00 0.00 H new ATOM 1223 N VAL A 75 -24.825 13.356 -12.670 1.00 0.00 N ATOM 1224 CA VAL A 75 -26.073 13.031 -11.922 1.00 0.00 C ATOM 1225 C VAL A 75 -26.903 14.297 -11.702 1.00 0.00 C ATOM 1226 O VAL A 75 -28.068 14.354 -12.042 1.00 0.00 O ATOM 1227 CB VAL A 75 -25.597 12.464 -10.584 1.00 0.00 C ATOM 1228 CG1 VAL A 75 -26.764 12.442 -9.594 1.00 0.00 C ATOM 1229 CG2 VAL A 75 -25.077 11.039 -10.789 1.00 0.00 C ATOM 0 H VAL A 75 -23.960 13.246 -12.140 1.00 0.00 H new ATOM 0 HA VAL A 75 -26.706 12.326 -12.462 1.00 0.00 H new ATOM 0 HB VAL A 75 -24.797 13.090 -10.189 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -26.425 12.038 -8.640 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -27.135 13.456 -9.447 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -27.564 11.816 -9.989 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -24.738 10.635 -9.835 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -25.877 10.413 -11.184 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -24.245 11.053 -11.494 1.00 0.00 H new ATOM 1239 N THR A 76 -26.312 15.315 -11.137 1.00 0.00 N ATOM 1240 CA THR A 76 -27.069 16.578 -10.897 1.00 0.00 C ATOM 1241 C THR A 76 -27.316 17.308 -12.219 1.00 0.00 C ATOM 1242 O THR A 76 -28.270 18.046 -12.362 1.00 0.00 O ATOM 1243 CB THR A 76 -26.168 17.411 -9.984 1.00 0.00 C ATOM 1244 OG1 THR A 76 -26.847 18.602 -9.611 1.00 0.00 O ATOM 1245 CG2 THR A 76 -24.878 17.767 -10.723 1.00 0.00 C ATOM 0 H THR A 76 -25.339 15.327 -10.831 1.00 0.00 H new ATOM 0 HA THR A 76 -28.046 16.395 -10.450 1.00 0.00 H new ATOM 0 HB THR A 76 -25.924 16.836 -9.091 1.00 0.00 H new ATOM 0 HG1 THR A 76 -26.272 19.137 -9.025 1.00 0.00 H new ATOM 0 HG21 THR A 76 -24.237 18.361 -10.071 1.00 0.00 H new ATOM 0 HG22 THR A 76 -24.358 16.853 -11.008 1.00 0.00 H new ATOM 0 HG23 THR A 76 -25.118 18.342 -11.617 1.00 0.00 H new ATOM 1253 N LYS A 77 -26.463 17.110 -13.187 1.00 0.00 N ATOM 1254 CA LYS A 77 -26.651 17.794 -14.498 1.00 0.00 C ATOM 1255 C LYS A 77 -28.124 17.744 -14.914 1.00 0.00 C ATOM 1256 O LYS A 77 -28.653 18.684 -15.473 1.00 0.00 O ATOM 1257 CB LYS A 77 -25.788 17.006 -15.485 1.00 0.00 C ATOM 1258 CG LYS A 77 -26.179 17.380 -16.916 1.00 0.00 C ATOM 1259 CD LYS A 77 -24.941 17.863 -17.675 1.00 0.00 C ATOM 1260 CE LYS A 77 -25.326 19.024 -18.593 1.00 0.00 C ATOM 1261 NZ LYS A 77 -25.834 18.380 -19.837 1.00 0.00 N ATOM 0 H LYS A 77 -25.644 16.504 -13.127 1.00 0.00 H new ATOM 0 HA LYS A 77 -26.367 18.846 -14.459 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -24.733 17.223 -15.316 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -25.922 15.936 -15.328 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -26.615 16.519 -17.422 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -26.939 18.161 -16.904 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -24.171 18.181 -16.972 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -24.519 17.047 -18.261 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -26.089 19.653 -18.135 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -24.468 19.663 -18.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -26.118 19.114 -20.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -25.084 17.793 -20.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -26.655 17.783 -19.609 1.00 0.00 H new ATOM 1275 N GLU A 78 -28.790 16.655 -14.645 1.00 0.00 N ATOM 1276 CA GLU A 78 -30.228 16.547 -15.024 1.00 0.00 C ATOM 1277 C GLU A 78 -31.007 15.799 -13.938 1.00 0.00 C ATOM 1278 O GLU A 78 -31.684 14.827 -14.205 1.00 0.00 O ATOM 1279 CB GLU A 78 -30.235 15.755 -16.332 1.00 0.00 C ATOM 1280 CG GLU A 78 -30.190 16.723 -17.515 1.00 0.00 C ATOM 1281 CD GLU A 78 -31.615 17.011 -17.993 1.00 0.00 C ATOM 1282 OE1 GLU A 78 -32.494 17.102 -17.152 1.00 0.00 O ATOM 1283 OE2 GLU A 78 -31.803 17.137 -19.192 1.00 0.00 O ATOM 0 H GLU A 78 -28.401 15.835 -14.179 1.00 0.00 H new ATOM 0 HA GLU A 78 -30.700 17.523 -15.137 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -29.378 15.082 -16.366 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -31.130 15.135 -16.389 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -29.699 17.651 -17.221 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -29.602 16.295 -18.327 1.00 0.00 H new ATOM 1290 N THR A 79 -30.914 16.245 -12.716 1.00 0.00 N ATOM 1291 CA THR A 79 -31.649 15.559 -11.614 1.00 0.00 C ATOM 1292 C THR A 79 -31.764 16.485 -10.400 1.00 0.00 C ATOM 1293 O THR A 79 -32.766 16.503 -9.714 1.00 0.00 O ATOM 1294 CB THR A 79 -30.800 14.332 -11.275 1.00 0.00 C ATOM 1295 OG1 THR A 79 -30.592 13.564 -12.453 1.00 0.00 O ATOM 1296 CG2 THR A 79 -31.521 13.482 -10.228 1.00 0.00 C ATOM 0 H THR A 79 -30.362 17.054 -12.432 1.00 0.00 H new ATOM 0 HA THR A 79 -32.664 15.285 -11.902 1.00 0.00 H new ATOM 0 HB THR A 79 -29.838 14.654 -10.875 1.00 0.00 H new ATOM 0 HG1 THR A 79 -31.308 13.750 -13.096 1.00 0.00 H new ATOM 0 HG21 THR A 79 -30.915 12.609 -9.988 1.00 0.00 H new ATOM 0 HG22 THR A 79 -31.679 14.073 -9.326 1.00 0.00 H new ATOM 0 HG23 THR A 79 -32.484 13.158 -10.623 1.00 0.00 H new ATOM 1304 N GLY A 80 -30.745 17.255 -10.129 1.00 0.00 N ATOM 1305 CA GLY A 80 -30.797 18.178 -8.961 1.00 0.00 C ATOM 1306 C GLY A 80 -30.394 17.424 -7.693 1.00 0.00 C ATOM 1307 O GLY A 80 -30.895 17.687 -6.617 1.00 0.00 O ATOM 0 H GLY A 80 -29.879 17.284 -10.667 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -30.127 19.023 -9.122 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -31.802 18.585 -8.850 1.00 0.00 H new ATOM 1311 N PHE A 81 -29.492 16.488 -7.810 1.00 0.00 N ATOM 1312 CA PHE A 81 -29.059 15.717 -6.609 1.00 0.00 C ATOM 1313 C PHE A 81 -27.709 16.238 -6.107 1.00 0.00 C ATOM 1314 O PHE A 81 -26.741 16.288 -6.839 1.00 0.00 O ATOM 1315 CB PHE A 81 -28.931 14.272 -7.091 1.00 0.00 C ATOM 1316 CG PHE A 81 -29.913 13.405 -6.341 1.00 0.00 C ATOM 1317 CD1 PHE A 81 -31.289 13.545 -6.567 1.00 0.00 C ATOM 1318 CD2 PHE A 81 -29.450 12.457 -5.417 1.00 0.00 C ATOM 1319 CE1 PHE A 81 -32.200 12.741 -5.871 1.00 0.00 C ATOM 1320 CE2 PHE A 81 -30.360 11.653 -4.721 1.00 0.00 C ATOM 1321 CZ PHE A 81 -31.737 11.794 -4.948 1.00 0.00 C ATOM 0 H PHE A 81 -29.037 16.224 -8.684 1.00 0.00 H new ATOM 0 HA PHE A 81 -29.763 15.809 -5.782 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -29.124 14.216 -8.162 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -27.915 13.912 -6.931 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -31.647 14.274 -7.279 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -28.390 12.347 -5.242 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -33.260 12.851 -6.046 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -30.002 10.924 -4.009 1.00 0.00 H new ATOM 0 HZ PHE A 81 -32.440 11.173 -4.412 1.00 0.00 H new ATOM 1331 N SER A 82 -27.638 16.626 -4.863 1.00 0.00 N ATOM 1332 CA SER A 82 -26.351 17.144 -4.316 1.00 0.00 C ATOM 1333 C SER A 82 -25.597 16.028 -3.588 1.00 0.00 C ATOM 1334 O SER A 82 -26.191 15.129 -3.027 1.00 0.00 O ATOM 1335 CB SER A 82 -26.752 18.247 -3.338 1.00 0.00 C ATOM 1336 OG SER A 82 -25.952 19.398 -3.574 1.00 0.00 O ATOM 0 H SER A 82 -28.415 16.607 -4.202 1.00 0.00 H new ATOM 0 HA SER A 82 -25.689 17.514 -5.099 1.00 0.00 H new ATOM 0 HB2 SER A 82 -27.807 18.492 -3.461 1.00 0.00 H new ATOM 0 HB3 SER A 82 -26.622 17.904 -2.312 1.00 0.00 H new ATOM 0 HG SER A 82 -26.208 20.108 -2.949 1.00 0.00 H new ATOM 1342 N LEU A 83 -24.293 16.080 -3.592 1.00 0.00 N ATOM 1343 CA LEU A 83 -23.502 15.022 -2.900 1.00 0.00 C ATOM 1344 C LEU A 83 -24.011 14.834 -1.469 1.00 0.00 C ATOM 1345 O LEU A 83 -23.888 13.774 -0.889 1.00 0.00 O ATOM 1346 CB LEU A 83 -22.064 15.542 -2.894 1.00 0.00 C ATOM 1347 CG LEU A 83 -21.170 14.561 -2.135 1.00 0.00 C ATOM 1348 CD1 LEU A 83 -20.636 13.503 -3.101 1.00 0.00 C ATOM 1349 CD2 LEU A 83 -19.995 15.320 -1.513 1.00 0.00 C ATOM 0 H LEU A 83 -23.741 16.809 -4.044 1.00 0.00 H new ATOM 0 HA LEU A 83 -23.583 14.055 -3.396 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -21.705 15.661 -3.916 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -22.023 16.525 -2.425 1.00 0.00 H new ATOM 0 HG LEU A 83 -21.749 14.076 -1.349 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -19.999 12.804 -2.559 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -21.471 12.962 -3.546 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -20.057 13.987 -3.887 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -19.357 14.622 -0.971 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -19.417 15.804 -2.300 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -20.373 16.075 -0.824 1.00 0.00 H new ATOM 1361 N GLU A 84 -24.580 15.858 -0.893 1.00 0.00 N ATOM 1362 CA GLU A 84 -25.096 15.738 0.501 1.00 0.00 C ATOM 1363 C GLU A 84 -26.147 14.629 0.585 1.00 0.00 C ATOM 1364 O GLU A 84 -26.127 13.806 1.479 1.00 0.00 O ATOM 1365 CB GLU A 84 -25.725 17.097 0.808 1.00 0.00 C ATOM 1366 CG GLU A 84 -25.864 17.266 2.322 1.00 0.00 C ATOM 1367 CD GLU A 84 -26.585 18.579 2.627 1.00 0.00 C ATOM 1368 OE1 GLU A 84 -26.152 19.601 2.120 1.00 0.00 O ATOM 1369 OE2 GLU A 84 -27.558 18.542 3.361 1.00 0.00 O ATOM 0 H GLU A 84 -24.710 16.772 -1.327 1.00 0.00 H new ATOM 0 HA GLU A 84 -24.309 15.482 1.211 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -25.108 17.896 0.398 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -26.703 17.173 0.332 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -26.420 16.428 2.742 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -24.880 17.262 2.790 1.00 0.00 H new ATOM 1376 N LYS A 85 -27.067 14.599 -0.341 1.00 0.00 N ATOM 1377 CA LYS A 85 -28.119 13.543 -0.314 1.00 0.00 C ATOM 1378 C LYS A 85 -27.488 12.163 -0.513 1.00 0.00 C ATOM 1379 O LYS A 85 -27.843 11.206 0.147 1.00 0.00 O ATOM 1380 CB LYS A 85 -29.049 13.880 -1.478 1.00 0.00 C ATOM 1381 CG LYS A 85 -30.450 14.185 -0.943 1.00 0.00 C ATOM 1382 CD LYS A 85 -30.864 15.593 -1.369 1.00 0.00 C ATOM 1383 CE LYS A 85 -29.799 16.597 -0.923 1.00 0.00 C ATOM 1384 NZ LYS A 85 -30.473 17.924 -0.979 1.00 0.00 N ATOM 0 H LYS A 85 -27.135 15.260 -1.115 1.00 0.00 H new ATOM 0 HA LYS A 85 -28.651 13.515 0.637 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -28.664 14.739 -2.028 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -29.090 13.045 -2.178 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -31.163 13.454 -1.324 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -30.461 14.105 0.144 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -30.988 15.635 -2.451 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -31.827 15.849 -0.928 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -29.445 16.376 0.084 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -28.929 16.568 -1.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -29.805 18.665 -0.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -30.793 18.110 -1.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -31.293 17.924 -0.339 1.00 0.00 H new ATOM 1398 N ILE A 86 -26.556 12.051 -1.419 1.00 0.00 N ATOM 1399 CA ILE A 86 -25.904 10.733 -1.661 1.00 0.00 C ATOM 1400 C ILE A 86 -25.143 10.280 -0.411 1.00 0.00 C ATOM 1401 O ILE A 86 -24.980 9.102 -0.165 1.00 0.00 O ATOM 1402 CB ILE A 86 -24.937 10.976 -2.820 1.00 0.00 C ATOM 1403 CG1 ILE A 86 -25.731 11.129 -4.119 1.00 0.00 C ATOM 1404 CG2 ILE A 86 -23.979 9.791 -2.946 1.00 0.00 C ATOM 1405 CD1 ILE A 86 -26.079 12.603 -4.335 1.00 0.00 C ATOM 0 H ILE A 86 -26.217 12.816 -2.003 1.00 0.00 H new ATOM 0 HA ILE A 86 -26.628 9.951 -1.891 1.00 0.00 H new ATOM 0 HB ILE A 86 -24.365 11.885 -2.631 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -25.147 10.755 -4.960 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -26.642 10.532 -4.073 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -23.291 9.966 -3.773 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -23.414 9.680 -2.021 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -24.549 8.881 -3.135 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -26.645 12.711 -5.260 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -26.679 12.961 -3.499 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -25.161 13.188 -4.400 1.00 0.00 H new ATOM 1417 N TYR A 87 -24.676 11.208 0.378 1.00 0.00 N ATOM 1418 CA TYR A 87 -23.926 10.831 1.611 1.00 0.00 C ATOM 1419 C TYR A 87 -24.897 10.371 2.703 1.00 0.00 C ATOM 1420 O TYR A 87 -24.616 9.455 3.449 1.00 0.00 O ATOM 1421 CB TYR A 87 -23.200 12.106 2.040 1.00 0.00 C ATOM 1422 CG TYR A 87 -21.716 11.939 1.819 1.00 0.00 C ATOM 1423 CD1 TYR A 87 -21.179 12.078 0.533 1.00 0.00 C ATOM 1424 CD2 TYR A 87 -20.876 11.644 2.902 1.00 0.00 C ATOM 1425 CE1 TYR A 87 -19.802 11.923 0.328 1.00 0.00 C ATOM 1426 CE2 TYR A 87 -19.498 11.489 2.696 1.00 0.00 C ATOM 1427 CZ TYR A 87 -18.961 11.629 1.410 1.00 0.00 C ATOM 1428 OH TYR A 87 -17.604 11.477 1.208 1.00 0.00 O ATOM 0 H TYR A 87 -24.781 12.211 0.223 1.00 0.00 H new ATOM 0 HA TYR A 87 -23.233 10.008 1.436 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -23.570 12.958 1.469 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -23.401 12.315 3.091 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -21.827 12.305 -0.301 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -21.290 11.536 3.894 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -19.388 12.030 -0.664 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -18.850 11.261 3.530 1.00 0.00 H new ATOM 0 HH TYR A 87 -17.167 11.277 2.062 1.00 0.00 H new ATOM 1438 N GLN A 88 -26.034 11.002 2.804 1.00 0.00 N ATOM 1439 CA GLN A 88 -27.019 10.602 3.850 1.00 0.00 C ATOM 1440 C GLN A 88 -27.713 9.296 3.453 1.00 0.00 C ATOM 1441 O GLN A 88 -28.172 8.546 4.291 1.00 0.00 O ATOM 1442 CB GLN A 88 -28.026 11.750 3.907 1.00 0.00 C ATOM 1443 CG GLN A 88 -27.491 12.854 4.820 1.00 0.00 C ATOM 1444 CD GLN A 88 -28.641 13.441 5.641 1.00 0.00 C ATOM 1445 OE1 GLN A 88 -29.737 12.918 5.635 1.00 0.00 O ATOM 1446 NE2 GLN A 88 -28.435 14.516 6.352 1.00 0.00 N ATOM 0 H GLN A 88 -26.324 11.777 2.208 1.00 0.00 H new ATOM 0 HA GLN A 88 -26.546 10.428 4.816 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -28.201 12.144 2.906 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -28.985 11.389 4.279 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -26.725 12.452 5.483 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -27.019 13.636 4.225 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -27.515 14.955 6.357 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -29.194 14.917 6.902 1.00 0.00 H new ATOM 1455 N LEU A 89 -27.794 9.018 2.181 1.00 0.00 N ATOM 1456 CA LEU A 89 -28.459 7.762 1.733 1.00 0.00 C ATOM 1457 C LEU A 89 -27.475 6.590 1.795 1.00 0.00 C ATOM 1458 O LEU A 89 -27.718 5.597 2.451 1.00 0.00 O ATOM 1459 CB LEU A 89 -28.882 8.030 0.288 1.00 0.00 C ATOM 1460 CG LEU A 89 -30.247 8.720 0.274 1.00 0.00 C ATOM 1461 CD1 LEU A 89 -30.499 9.328 -1.106 1.00 0.00 C ATOM 1462 CD2 LEU A 89 -31.338 7.692 0.584 1.00 0.00 C ATOM 0 H LEU A 89 -27.428 9.606 1.432 1.00 0.00 H new ATOM 0 HA LEU A 89 -29.308 7.498 2.364 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -28.141 8.657 -0.208 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -28.931 7.093 -0.267 1.00 0.00 H new ATOM 0 HG LEU A 89 -30.263 9.509 1.026 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -31.472 9.819 -1.115 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -29.721 10.059 -1.329 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -30.484 8.540 -1.859 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -32.312 8.181 0.575 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -31.320 6.904 -0.169 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -31.160 7.258 1.568 1.00 0.00 H new ATOM 1474 N PHE A 90 -26.366 6.698 1.117 1.00 0.00 N ATOM 1475 CA PHE A 90 -25.368 5.591 1.138 1.00 0.00 C ATOM 1476 C PHE A 90 -24.352 5.816 2.260 1.00 0.00 C ATOM 1477 O PHE A 90 -24.305 6.875 2.854 1.00 0.00 O ATOM 1478 CB PHE A 90 -24.683 5.649 -0.228 1.00 0.00 C ATOM 1479 CG PHE A 90 -25.367 4.692 -1.173 1.00 0.00 C ATOM 1480 CD1 PHE A 90 -25.584 3.363 -0.788 1.00 0.00 C ATOM 1481 CD2 PHE A 90 -25.786 5.133 -2.436 1.00 0.00 C ATOM 1482 CE1 PHE A 90 -26.219 2.473 -1.665 1.00 0.00 C ATOM 1483 CE2 PHE A 90 -26.422 4.243 -3.313 1.00 0.00 C ATOM 1484 CZ PHE A 90 -26.638 2.914 -2.927 1.00 0.00 C ATOM 0 H PHE A 90 -26.107 7.505 0.549 1.00 0.00 H new ATOM 0 HA PHE A 90 -25.831 4.621 1.320 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -24.726 6.663 -0.626 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -23.629 5.389 -0.130 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -25.262 3.024 0.185 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -25.619 6.158 -2.733 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -26.385 1.448 -1.368 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -26.745 4.582 -4.286 1.00 0.00 H new ATOM 0 HZ PHE A 90 -27.128 2.229 -3.603 1.00 0.00 H new ATOM 1494 N PRO A 91 -23.572 4.802 2.511 1.00 0.00 N ATOM 1495 CA PRO A 91 -22.541 4.877 3.574 1.00 0.00 C ATOM 1496 C PRO A 91 -21.362 5.738 3.116 1.00 0.00 C ATOM 1497 O PRO A 91 -20.989 6.694 3.766 1.00 0.00 O ATOM 1498 CB PRO A 91 -22.115 3.424 3.759 1.00 0.00 C ATOM 1499 CG PRO A 91 -22.426 2.755 2.457 1.00 0.00 C ATOM 1500 CD PRO A 91 -23.579 3.502 1.834 1.00 0.00 C ATOM 0 HA PRO A 91 -22.906 5.330 4.496 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -21.053 3.352 3.995 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -22.657 2.956 4.581 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -21.557 2.771 1.799 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -22.686 1.708 2.615 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -23.447 3.613 0.758 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -24.522 2.978 1.987 1.00 0.00 H new ATOM 1508 N SER A 92 -20.770 5.407 2.001 1.00 0.00 N ATOM 1509 CA SER A 92 -19.615 6.208 1.504 1.00 0.00 C ATOM 1510 C SER A 92 -19.090 5.625 0.191 1.00 0.00 C ATOM 1511 O SER A 92 -18.421 4.610 0.174 1.00 0.00 O ATOM 1512 CB SER A 92 -18.557 6.096 2.600 1.00 0.00 C ATOM 1513 OG SER A 92 -18.664 7.214 3.473 1.00 0.00 O ATOM 0 H SER A 92 -21.036 4.617 1.413 1.00 0.00 H new ATOM 0 HA SER A 92 -19.888 7.244 1.303 1.00 0.00 H new ATOM 0 HB2 SER A 92 -18.692 5.170 3.158 1.00 0.00 H new ATOM 0 HB3 SER A 92 -17.561 6.059 2.158 1.00 0.00 H new ATOM 0 HG SER A 92 -19.601 7.494 3.532 1.00 0.00 H new ATOM 1519 N GLY A 93 -19.384 6.259 -0.912 1.00 0.00 N ATOM 1520 CA GLY A 93 -18.898 5.740 -2.222 1.00 0.00 C ATOM 1521 C GLY A 93 -20.093 5.397 -3.114 1.00 0.00 C ATOM 1522 O GLY A 93 -20.438 4.245 -3.274 1.00 0.00 O ATOM 0 H GLY A 93 -19.939 7.113 -0.962 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -18.270 6.486 -2.709 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -18.281 4.855 -2.068 1.00 0.00 H new ATOM 1526 N PRO A 94 -20.683 6.420 -3.670 1.00 0.00 N ATOM 1527 CA PRO A 94 -21.852 6.232 -4.562 1.00 0.00 C ATOM 1528 C PRO A 94 -21.410 5.640 -5.903 1.00 0.00 C ATOM 1529 O PRO A 94 -22.220 5.222 -6.707 1.00 0.00 O ATOM 1530 CB PRO A 94 -22.395 7.648 -4.746 1.00 0.00 C ATOM 1531 CG PRO A 94 -21.224 8.544 -4.498 1.00 0.00 C ATOM 1532 CD PRO A 94 -20.321 7.834 -3.524 1.00 0.00 C ATOM 0 HA PRO A 94 -22.595 5.545 -4.156 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -22.796 7.790 -5.750 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -23.205 7.854 -4.047 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -20.697 8.755 -5.428 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -21.551 9.502 -4.093 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -19.270 8.003 -3.758 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -20.481 8.184 -2.504 1.00 0.00 H new ATOM 1540 N ALA A 95 -20.129 5.599 -6.149 1.00 0.00 N ATOM 1541 CA ALA A 95 -19.634 5.033 -7.437 1.00 0.00 C ATOM 1542 C ALA A 95 -19.957 3.539 -7.517 1.00 0.00 C ATOM 1543 O ALA A 95 -20.878 3.128 -8.193 1.00 0.00 O ATOM 1544 CB ALA A 95 -18.122 5.254 -7.412 1.00 0.00 C ATOM 0 H ALA A 95 -19.404 5.933 -5.514 1.00 0.00 H new ATOM 0 HA ALA A 95 -20.100 5.505 -8.302 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -17.682 4.863 -8.329 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -17.911 6.321 -7.335 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -17.693 4.736 -6.554 1.00 0.00 H new ATOM 1550 N HIS A 96 -19.206 2.723 -6.829 1.00 0.00 N ATOM 1551 CA HIS A 96 -19.472 1.256 -6.866 1.00 0.00 C ATOM 1552 C HIS A 96 -20.707 0.919 -6.027 1.00 0.00 C ATOM 1553 O HIS A 96 -21.184 -0.198 -6.025 1.00 0.00 O ATOM 1554 CB HIS A 96 -18.221 0.611 -6.266 1.00 0.00 C ATOM 1555 CG HIS A 96 -18.196 0.845 -4.780 1.00 0.00 C ATOM 1556 ND1 HIS A 96 -18.644 1.888 -4.008 1.00 0.00 N flip ATOM 1557 CD2 HIS A 96 -17.653 -0.075 -3.896 1.00 0.00 C flip ATOM 1558 CE1 HIS A 96 -18.386 1.623 -2.666 1.00 0.00 C flip ATOM 1559 NE2 HIS A 96 -17.788 0.429 -2.655 1.00 0.00 N flip ATOM 0 H HIS A 96 -18.421 3.008 -6.244 1.00 0.00 H new ATOM 0 HA HIS A 96 -19.670 0.898 -7.876 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -18.215 -0.459 -6.476 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -17.327 1.032 -6.726 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -17.204 -1.022 -4.156 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -18.619 2.248 -1.817 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -17.472 -0.044 -1.808 1.00 0.00 H new ATOM 1567 N GLY A 97 -21.229 1.879 -5.311 1.00 0.00 N ATOM 1568 CA GLY A 97 -22.433 1.614 -4.474 1.00 0.00 C ATOM 1569 C GLY A 97 -23.673 1.551 -5.366 1.00 0.00 C ATOM 1570 O GLY A 97 -24.180 0.488 -5.667 1.00 0.00 O ATOM 0 H GLY A 97 -20.873 2.834 -5.270 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -22.313 0.675 -3.933 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -22.549 2.399 -3.727 1.00 0.00 H new ATOM 1574 N ALA A 98 -24.167 2.681 -5.791 1.00 0.00 N ATOM 1575 CA ALA A 98 -25.376 2.686 -6.664 1.00 0.00 C ATOM 1576 C ALA A 98 -25.233 1.637 -7.770 1.00 0.00 C ATOM 1577 O ALA A 98 -26.194 1.015 -8.177 1.00 0.00 O ATOM 1578 CB ALA A 98 -25.427 4.093 -7.262 1.00 0.00 C ATOM 0 H ALA A 98 -23.786 3.602 -5.572 1.00 0.00 H new ATOM 0 HA ALA A 98 -26.285 2.445 -6.113 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -26.292 4.178 -7.919 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -25.507 4.827 -6.460 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -24.518 4.279 -7.834 1.00 0.00 H new ATOM 1584 N CYS A 99 -24.039 1.436 -8.260 1.00 0.00 N ATOM 1585 CA CYS A 99 -23.836 0.428 -9.339 1.00 0.00 C ATOM 1586 C CYS A 99 -24.068 -0.984 -8.796 1.00 0.00 C ATOM 1587 O CYS A 99 -24.907 -1.717 -9.283 1.00 0.00 O ATOM 1588 CB CYS A 99 -22.381 0.603 -9.774 1.00 0.00 C ATOM 1589 SG CYS A 99 -22.238 2.067 -10.829 1.00 0.00 S ATOM 0 H CYS A 99 -23.196 1.926 -7.960 1.00 0.00 H new ATOM 0 HA CYS A 99 -24.530 0.566 -10.169 1.00 0.00 H new ATOM 0 HB2 CYS A 99 -21.739 0.708 -8.899 1.00 0.00 H new ATOM 0 HB3 CYS A 99 -22.043 -0.282 -10.314 1.00 0.00 H new ATOM 1594 N LYS A 100 -23.330 -1.373 -7.793 1.00 0.00 N ATOM 1595 CA LYS A 100 -23.510 -2.737 -7.220 1.00 0.00 C ATOM 1596 C LYS A 100 -24.989 -2.997 -6.922 1.00 0.00 C ATOM 1597 O LYS A 100 -25.443 -4.124 -6.919 1.00 0.00 O ATOM 1598 CB LYS A 100 -22.694 -2.736 -5.927 1.00 0.00 C ATOM 1599 CG LYS A 100 -23.092 -3.941 -5.071 1.00 0.00 C ATOM 1600 CD LYS A 100 -21.955 -4.278 -4.104 1.00 0.00 C ATOM 1601 CE LYS A 100 -22.118 -3.466 -2.819 1.00 0.00 C ATOM 1602 NZ LYS A 100 -21.285 -2.249 -3.025 1.00 0.00 N ATOM 0 H LYS A 100 -22.610 -0.806 -7.345 1.00 0.00 H new ATOM 0 HA LYS A 100 -23.184 -3.518 -7.907 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -21.629 -2.775 -6.156 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -22.867 -1.812 -5.376 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -24.003 -3.720 -4.515 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -23.307 -4.798 -5.709 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -21.962 -5.344 -3.876 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -20.993 -4.057 -4.566 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -23.162 -3.205 -2.647 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -21.783 -4.031 -1.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -20.912 -1.925 -2.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -20.494 -2.473 -3.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -21.867 -1.497 -3.447 1.00 0.00 H new ATOM 1616 N VAL A 101 -25.744 -1.962 -6.670 1.00 0.00 N ATOM 1617 CA VAL A 101 -27.193 -2.153 -6.372 1.00 0.00 C ATOM 1618 C VAL A 101 -27.968 -2.423 -7.664 1.00 0.00 C ATOM 1619 O VAL A 101 -28.638 -3.428 -7.798 1.00 0.00 O ATOM 1620 CB VAL A 101 -27.644 -0.835 -5.741 1.00 0.00 C ATOM 1621 CG1 VAL A 101 -29.150 -0.885 -5.479 1.00 0.00 C ATOM 1622 CG2 VAL A 101 -26.904 -0.623 -4.419 1.00 0.00 C ATOM 0 H VAL A 101 -25.421 -0.994 -6.658 1.00 0.00 H new ATOM 0 HA VAL A 101 -27.371 -3.003 -5.713 1.00 0.00 H new ATOM 0 HB VAL A 101 -27.420 -0.012 -6.419 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -29.472 0.054 -5.029 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -29.678 -1.037 -6.420 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -29.374 -1.708 -4.800 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -27.225 0.316 -3.969 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -27.128 -1.446 -3.740 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -25.830 -0.588 -4.604 1.00 0.00 H new ATOM 1632 N ALA A 102 -27.882 -1.534 -8.616 1.00 0.00 N ATOM 1633 CA ALA A 102 -28.615 -1.743 -9.898 1.00 0.00 C ATOM 1634 C ALA A 102 -28.121 -3.018 -10.589 1.00 0.00 C ATOM 1635 O ALA A 102 -28.725 -3.503 -11.524 1.00 0.00 O ATOM 1636 CB ALA A 102 -28.289 -0.514 -10.746 1.00 0.00 C ATOM 0 H ALA A 102 -27.337 -0.673 -8.562 1.00 0.00 H new ATOM 0 HA ALA A 102 -29.688 -1.860 -9.745 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -28.793 -0.592 -11.709 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -28.629 0.384 -10.231 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -27.212 -0.456 -10.904 1.00 0.00 H new ATOM 1642 N GLY A 103 -27.027 -3.565 -10.133 1.00 0.00 N ATOM 1643 CA GLY A 103 -26.496 -4.807 -10.762 1.00 0.00 C ATOM 1644 C GLY A 103 -25.618 -4.441 -11.959 1.00 0.00 C ATOM 1645 O GLY A 103 -26.042 -4.504 -13.096 1.00 0.00 O ATOM 0 H GLY A 103 -26.478 -3.205 -9.352 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -25.918 -5.376 -10.035 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -27.320 -5.444 -11.084 1.00 0.00 H new ATOM 1649 N ALA A 104 -24.394 -4.060 -11.713 1.00 0.00 N ATOM 1650 CA ALA A 104 -23.488 -3.690 -12.839 1.00 0.00 C ATOM 1651 C ALA A 104 -22.097 -3.341 -12.304 1.00 0.00 C ATOM 1652 O ALA A 104 -21.738 -2.183 -12.213 1.00 0.00 O ATOM 1653 CB ALA A 104 -24.137 -2.468 -13.487 1.00 0.00 C ATOM 0 H ALA A 104 -23.982 -3.989 -10.783 1.00 0.00 H new ATOM 0 HA ALA A 104 -23.359 -4.506 -13.550 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -23.527 -2.135 -14.327 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -25.133 -2.731 -13.843 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -24.214 -1.665 -12.754 1.00 0.00 H new