USER MOD reduce.3.24.130724 H: found=0, std=0, add=914, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 915 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 25 HIS : no HE2:sc= -4.41! C(o=-4.4!,f=-6!) USER MOD Set 1.2: A 114 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 64 GLN : amide:sc= -0.017 K(o=-1,f=-4.5!) USER MOD Set 2.2: A 94 GLN : amide:sc= -0.985! X(o=-1!,f=-0.89) USER MOD Set 3.1: A 87 ASN : amide:sc= 0.061 K(o=0.22,f=-2.7!) USER MOD Set 3.2: A 90 LYS NZ :NH3+ -158:sc= 0.164 (180deg=-0.0439) USER MOD Single : A 19 THR OG1 : rot 32:sc= 0.418 USER MOD Single : A 20 THR OG1 : rot 81:sc= 0.372 USER MOD Single : A 24 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0698) USER MOD Single : A 28 CYS SG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc=-0.00764 X(o=-0.0076,f=-0.44) USER MOD Single : A 36 THR OG1 : rot 73:sc= 0.225 USER MOD Single : A 38 GLN : amide:sc= -0.518 X(o=-0.52,f=-0.17) USER MOD Single : A 42 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.0165) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 48 ASN : amide:sc= -1.41 K(o=-1.4,f=-0.19!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 150:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 27:sc= 1.04 USER MOD Single : A 54 HIS : no HE2:sc= -0.598 K(o=-0.6,f=-4.2!) USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HE2:sc= -1.43 X(o=-1.4,f=-1.8) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 CYS SG : rot 130:sc= -0.329 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 CYS SG : rot 27:sc= -6.83! USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -1 K(o=-1,f=-0.29) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 101:sc= 1.11 USER MOD Single : A 96 THR OG1 : rot 92:sc= 0.107 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= -2.21! K(o=-2.2!,f=-0.0031) USER MOD Single : A 103 THR OG1 : rot 180:sc= -0.164 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 MET CE :methyl -118:sc= -1.45 (180deg=-3.07!) USER MOD Single : A 110 ASN : amide:sc= -0.326 X(o=-0.33,f=-0.41) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 120 GLN : amide:sc= -0.264 X(o=-0.26,f=-0.26) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 HIS : no HD1:sc= -0.0128 X(o=-0.013,f=0) USER MOD Single : A 124 HIS : no HD1:sc= 0.639 K(o=0.64,f=-4.4!) USER MOD ----------------------------------------------------------------- ATOM 93 N ILE A 10 -2.322 7.422 6.910 1.00 0.00 N ATOM 94 CA ILE A 10 -2.224 6.855 5.571 1.00 0.00 C ATOM 95 C ILE A 10 -3.398 7.291 4.702 1.00 0.00 C ATOM 96 O ILE A 10 -4.524 7.428 5.182 1.00 0.00 O ATOM 97 CB ILE A 10 -2.175 5.316 5.613 1.00 0.00 C ATOM 98 CG1 ILE A 10 -1.053 4.845 6.541 1.00 0.00 C ATOM 99 CG2 ILE A 10 -1.982 4.754 4.213 1.00 0.00 C ATOM 100 CD1 ILE A 10 -1.336 3.515 7.204 1.00 0.00 C ATOM 0 HA ILE A 10 -1.296 7.228 5.138 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.123 4.947 6.004 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -0.128 4.767 5.969 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -0.889 5.598 7.311 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -1.949 3.665 4.259 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -2.812 5.066 3.578 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -1.046 5.128 3.797 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -0.499 3.243 7.847 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -2.243 3.593 7.803 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -1.470 2.749 6.440 1.00 0.00 H new ATOM 112 N LEU A 11 -3.129 7.508 3.419 1.00 0.00 N ATOM 113 CA LEU A 11 -4.163 7.927 2.480 1.00 0.00 C ATOM 114 C LEU A 11 -4.214 6.996 1.273 1.00 0.00 C ATOM 115 O LEU A 11 -5.291 6.611 0.817 1.00 0.00 O ATOM 116 CB LEU A 11 -3.910 9.364 2.020 1.00 0.00 C ATOM 117 CG LEU A 11 -4.025 10.444 3.096 1.00 0.00 C ATOM 118 CD1 LEU A 11 -3.308 11.712 2.659 1.00 0.00 C ATOM 119 CD2 LEU A 11 -5.486 10.735 3.406 1.00 0.00 C ATOM 0 H LEU A 11 -2.203 7.401 3.005 1.00 0.00 H new ATOM 0 HA LEU A 11 -5.124 7.880 2.992 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -2.911 9.415 1.588 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.615 9.598 1.222 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.548 10.076 4.005 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.401 12.469 3.438 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.254 11.494 2.489 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -3.755 12.083 1.737 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -5.548 11.506 4.174 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -5.988 11.081 2.502 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -5.970 9.826 3.764 1.00 0.00 H new ATOM 131 N PHE A 12 -3.041 6.635 0.761 1.00 0.00 N ATOM 132 CA PHE A 12 -2.951 5.748 -0.392 1.00 0.00 C ATOM 133 C PHE A 12 -2.304 4.421 -0.008 1.00 0.00 C ATOM 134 O PHE A 12 -1.294 4.391 0.695 1.00 0.00 O ATOM 135 CB PHE A 12 -2.151 6.413 -1.513 1.00 0.00 C ATOM 136 CG PHE A 12 -2.226 5.678 -2.821 1.00 0.00 C ATOM 137 CD1 PHE A 12 -3.260 5.923 -3.710 1.00 0.00 C ATOM 138 CD2 PHE A 12 -1.262 4.743 -3.162 1.00 0.00 C ATOM 139 CE1 PHE A 12 -3.332 5.247 -4.913 1.00 0.00 C ATOM 140 CE2 PHE A 12 -1.328 4.065 -4.364 1.00 0.00 C ATOM 141 CZ PHE A 12 -2.364 4.318 -5.242 1.00 0.00 C ATOM 0 H PHE A 12 -2.140 6.944 1.127 1.00 0.00 H new ATOM 0 HA PHE A 12 -3.963 5.550 -0.746 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -2.517 7.430 -1.655 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -1.107 6.489 -1.208 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -4.018 6.650 -3.460 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -0.449 4.542 -2.480 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -4.145 5.445 -5.596 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -0.570 3.338 -4.617 1.00 0.00 H new ATOM 0 HZ PHE A 12 -2.417 3.791 -6.183 1.00 0.00 H new ATOM 151 N ALA A 13 -2.893 3.324 -0.473 1.00 0.00 N ATOM 152 CA ALA A 13 -2.374 1.994 -0.180 1.00 0.00 C ATOM 153 C ALA A 13 -2.888 0.970 -1.186 1.00 0.00 C ATOM 154 O ALA A 13 -4.096 0.775 -1.326 1.00 0.00 O ATOM 155 CB ALA A 13 -2.748 1.581 1.235 1.00 0.00 C ATOM 0 H ALA A 13 -3.731 3.331 -1.055 1.00 0.00 H new ATOM 0 HA ALA A 13 -1.288 2.029 -0.261 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.354 0.586 1.440 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -2.325 2.292 1.945 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -3.833 1.569 1.336 1.00 0.00 H new ATOM 161 N VAL A 14 -1.964 0.318 -1.885 1.00 0.00 N ATOM 162 CA VAL A 14 -2.325 -0.687 -2.878 1.00 0.00 C ATOM 163 C VAL A 14 -1.307 -1.821 -2.906 1.00 0.00 C ATOM 164 O VAL A 14 -0.169 -1.660 -2.467 1.00 0.00 O ATOM 165 CB VAL A 14 -2.431 -0.072 -4.286 1.00 0.00 C ATOM 166 CG1 VAL A 14 -3.147 1.269 -4.231 1.00 0.00 C ATOM 167 CG2 VAL A 14 -1.050 0.077 -4.907 1.00 0.00 C ATOM 0 H VAL A 14 -0.960 0.468 -1.782 1.00 0.00 H new ATOM 0 HA VAL A 14 -3.298 -1.083 -2.589 1.00 0.00 H new ATOM 0 HB VAL A 14 -3.017 -0.744 -4.914 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.212 1.688 -5.235 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -4.151 1.129 -3.830 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -2.592 1.952 -3.588 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.143 0.513 -5.902 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.438 0.727 -4.282 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.578 -0.902 -4.983 1.00 0.00 H new ATOM 177 N VAL A 15 -1.726 -2.971 -3.426 1.00 0.00 N ATOM 178 CA VAL A 15 -0.850 -4.134 -3.513 1.00 0.00 C ATOM 179 C VAL A 15 -0.551 -4.489 -4.965 1.00 0.00 C ATOM 180 O VAL A 15 -1.450 -4.851 -5.724 1.00 0.00 O ATOM 181 CB VAL A 15 -1.471 -5.358 -2.814 1.00 0.00 C ATOM 182 CG1 VAL A 15 -0.528 -6.549 -2.884 1.00 0.00 C ATOM 183 CG2 VAL A 15 -1.819 -5.027 -1.370 1.00 0.00 C ATOM 0 H VAL A 15 -2.666 -3.122 -3.793 1.00 0.00 H new ATOM 0 HA VAL A 15 0.079 -3.869 -3.008 1.00 0.00 H new ATOM 0 HB VAL A 15 -2.391 -5.623 -3.334 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -0.984 -7.404 -2.385 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -0.334 -6.799 -3.927 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.411 -6.299 -2.390 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.257 -5.903 -0.891 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -0.915 -4.735 -0.836 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -2.535 -4.205 -1.347 1.00 0.00 H new ATOM 193 N ALA A 16 0.718 -4.384 -5.345 1.00 0.00 N ATOM 194 CA ALA A 16 1.136 -4.697 -6.706 1.00 0.00 C ATOM 195 C ALA A 16 2.365 -5.599 -6.709 1.00 0.00 C ATOM 196 O ALA A 16 3.288 -5.410 -5.915 1.00 0.00 O ATOM 197 CB ALA A 16 1.417 -3.417 -7.479 1.00 0.00 C ATOM 0 H ALA A 16 1.474 -4.085 -4.730 1.00 0.00 H new ATOM 0 HA ALA A 16 0.323 -5.233 -7.195 1.00 0.00 H new ATOM 0 HB1 ALA A 16 1.728 -3.666 -8.494 1.00 0.00 H new ATOM 0 HB2 ALA A 16 0.514 -2.808 -7.515 1.00 0.00 H new ATOM 0 HB3 ALA A 16 2.211 -2.859 -6.983 1.00 0.00 H new ATOM 203 N ARG A 17 2.371 -6.580 -7.605 1.00 0.00 N ATOM 204 CA ARG A 17 3.487 -7.513 -7.709 1.00 0.00 C ATOM 205 C ARG A 17 4.061 -7.518 -9.123 1.00 0.00 C ATOM 206 O ARG A 17 3.325 -7.624 -10.103 1.00 0.00 O ATOM 207 CB ARG A 17 3.037 -8.924 -7.325 1.00 0.00 C ATOM 208 CG ARG A 17 1.858 -9.430 -8.140 1.00 0.00 C ATOM 209 CD ARG A 17 1.754 -10.947 -8.086 1.00 0.00 C ATOM 210 NE ARG A 17 2.916 -11.597 -8.686 1.00 0.00 N ATOM 211 CZ ARG A 17 2.915 -12.855 -9.112 1.00 0.00 C ATOM 212 NH1 ARG A 17 1.820 -13.595 -9.005 1.00 0.00 N ATOM 213 NH2 ARG A 17 4.012 -13.376 -9.648 1.00 0.00 N ATOM 0 H ARG A 17 1.616 -6.750 -8.269 1.00 0.00 H new ATOM 0 HA ARG A 17 4.266 -7.187 -7.020 1.00 0.00 H new ATOM 0 HB2 ARG A 17 3.875 -9.610 -7.449 1.00 0.00 H new ATOM 0 HB3 ARG A 17 2.769 -8.936 -6.268 1.00 0.00 H new ATOM 0 HG2 ARG A 17 0.936 -8.987 -7.762 1.00 0.00 H new ATOM 0 HG3 ARG A 17 1.965 -9.108 -9.176 1.00 0.00 H new ATOM 0 HD2 ARG A 17 1.655 -11.267 -7.049 1.00 0.00 H new ATOM 0 HD3 ARG A 17 0.851 -11.267 -8.606 1.00 0.00 H new ATOM 0 HE ARG A 17 3.775 -11.056 -8.783 1.00 0.00 H new ATOM 0 HH11 ARG A 17 0.975 -13.199 -8.594 1.00 0.00 H new ATOM 0 HH12 ARG A 17 1.823 -14.561 -9.333 1.00 0.00 H new ATOM 0 HH21 ARG A 17 4.856 -12.810 -9.733 1.00 0.00 H new ATOM 0 HH22 ARG A 17 4.011 -14.342 -9.975 1.00 0.00 H new ATOM 227 N GLY A 18 5.382 -7.403 -9.220 1.00 0.00 N ATOM 228 CA GLY A 18 6.033 -7.395 -10.517 1.00 0.00 C ATOM 229 C GLY A 18 5.279 -6.569 -11.539 1.00 0.00 C ATOM 230 O GLY A 18 4.767 -7.102 -12.525 1.00 0.00 O ATOM 0 H GLY A 18 6.013 -7.315 -8.423 1.00 0.00 H new ATOM 0 HA2 GLY A 18 7.044 -7.001 -10.410 1.00 0.00 H new ATOM 0 HA3 GLY A 18 6.127 -8.419 -10.879 1.00 0.00 H new ATOM 234 N THR A 19 5.206 -5.262 -11.305 1.00 0.00 N ATOM 235 CA THR A 19 4.506 -4.361 -12.212 1.00 0.00 C ATOM 236 C THR A 19 3.115 -4.887 -12.544 1.00 0.00 C ATOM 237 O THR A 19 2.731 -4.964 -13.712 1.00 0.00 O ATOM 238 CB THR A 19 5.292 -4.158 -13.521 1.00 0.00 C ATOM 239 OG1 THR A 19 5.656 -5.428 -14.075 1.00 0.00 O ATOM 240 CG2 THR A 19 6.544 -3.328 -13.277 1.00 0.00 C ATOM 0 H THR A 19 5.623 -4.804 -10.495 1.00 0.00 H new ATOM 0 HA THR A 19 4.417 -3.403 -11.699 1.00 0.00 H new ATOM 0 HB THR A 19 4.653 -3.624 -14.224 1.00 0.00 H new ATOM 0 HG1 THR A 19 4.969 -6.091 -13.853 1.00 0.00 H new ATOM 0 HG21 THR A 19 7.083 -3.198 -14.216 1.00 0.00 H new ATOM 0 HG22 THR A 19 6.262 -2.352 -12.882 1.00 0.00 H new ATOM 0 HG23 THR A 19 7.185 -3.839 -12.559 1.00 0.00 H new ATOM 248 N THR A 20 2.361 -5.248 -11.510 1.00 0.00 N ATOM 249 CA THR A 20 1.011 -5.768 -11.693 1.00 0.00 C ATOM 250 C THR A 20 0.151 -5.509 -10.461 1.00 0.00 C ATOM 251 O THR A 20 0.325 -6.151 -9.425 1.00 0.00 O ATOM 252 CB THR A 20 1.027 -7.280 -11.986 1.00 0.00 C ATOM 253 OG1 THR A 20 1.909 -7.558 -13.079 1.00 0.00 O ATOM 254 CG2 THR A 20 -0.371 -7.781 -12.315 1.00 0.00 C ATOM 0 H THR A 20 2.662 -5.190 -10.537 1.00 0.00 H new ATOM 0 HA THR A 20 0.583 -5.244 -12.548 1.00 0.00 H new ATOM 0 HB THR A 20 1.381 -7.797 -11.094 1.00 0.00 H new ATOM 0 HG1 THR A 20 2.834 -7.581 -12.755 1.00 0.00 H new ATOM 0 HG21 THR A 20 -0.335 -8.851 -12.518 1.00 0.00 H new ATOM 0 HG22 THR A 20 -1.033 -7.594 -11.469 1.00 0.00 H new ATOM 0 HG23 THR A 20 -0.748 -7.257 -13.193 1.00 0.00 H new ATOM 262 N ILE A 21 -0.777 -4.565 -10.581 1.00 0.00 N ATOM 263 CA ILE A 21 -1.665 -4.223 -9.478 1.00 0.00 C ATOM 264 C ILE A 21 -2.861 -5.168 -9.422 1.00 0.00 C ATOM 265 O ILE A 21 -3.669 -5.219 -10.350 1.00 0.00 O ATOM 266 CB ILE A 21 -2.174 -2.775 -9.593 1.00 0.00 C ATOM 267 CG1 ILE A 21 -1.001 -1.812 -9.787 1.00 0.00 C ATOM 268 CG2 ILE A 21 -2.977 -2.396 -8.357 1.00 0.00 C ATOM 269 CD1 ILE A 21 -1.378 -0.536 -10.507 1.00 0.00 C ATOM 0 H ILE A 21 -0.933 -4.024 -11.431 1.00 0.00 H new ATOM 0 HA ILE A 21 -1.083 -4.323 -8.562 1.00 0.00 H new ATOM 0 HB ILE A 21 -2.826 -2.704 -10.463 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -0.584 -1.560 -8.812 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -0.216 -2.318 -10.349 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -3.330 -1.369 -8.453 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -3.831 -3.066 -8.259 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -2.346 -2.481 -7.473 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.497 0.098 -10.609 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -1.767 -0.778 -11.496 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -2.141 -0.008 -9.936 1.00 0.00 H new ATOM 281 N LEU A 22 -2.969 -5.913 -8.327 1.00 0.00 N ATOM 282 CA LEU A 22 -4.069 -6.855 -8.149 1.00 0.00 C ATOM 283 C LEU A 22 -5.294 -6.158 -7.567 1.00 0.00 C ATOM 284 O LEU A 22 -6.406 -6.312 -8.072 1.00 0.00 O ATOM 285 CB LEU A 22 -3.639 -8.003 -7.234 1.00 0.00 C ATOM 286 CG LEU A 22 -2.481 -8.865 -7.737 1.00 0.00 C ATOM 287 CD1 LEU A 22 -1.767 -9.534 -6.573 1.00 0.00 C ATOM 288 CD2 LEU A 22 -2.982 -9.906 -8.727 1.00 0.00 C ATOM 0 H LEU A 22 -2.309 -5.883 -7.550 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.333 -7.257 -9.127 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.361 -7.585 -6.267 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.500 -8.649 -7.066 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.769 -8.218 -8.249 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.946 -10.143 -6.951 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.373 -8.771 -5.901 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.469 -10.168 -6.031 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.144 -10.510 -9.075 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.715 -10.548 -8.240 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -3.446 -9.406 -9.577 1.00 0.00 H new ATOM 300 N ALA A 23 -5.083 -5.389 -6.504 1.00 0.00 N ATOM 301 CA ALA A 23 -6.169 -4.664 -5.856 1.00 0.00 C ATOM 302 C ALA A 23 -5.705 -3.293 -5.376 1.00 0.00 C ATOM 303 O ALA A 23 -4.715 -3.179 -4.655 1.00 0.00 O ATOM 304 CB ALA A 23 -6.723 -5.473 -4.693 1.00 0.00 C ATOM 0 H ALA A 23 -4.169 -5.252 -6.073 1.00 0.00 H new ATOM 0 HA ALA A 23 -6.961 -4.514 -6.590 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -7.533 -4.920 -4.218 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -7.102 -6.427 -5.061 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -5.932 -5.653 -3.965 1.00 0.00 H new ATOM 310 N LYS A 24 -6.427 -2.254 -5.782 1.00 0.00 N ATOM 311 CA LYS A 24 -6.091 -0.890 -5.394 1.00 0.00 C ATOM 312 C LYS A 24 -7.283 -0.202 -4.737 1.00 0.00 C ATOM 313 O LYS A 24 -8.428 -0.396 -5.146 1.00 0.00 O ATOM 314 CB LYS A 24 -5.635 -0.088 -6.615 1.00 0.00 C ATOM 315 CG LYS A 24 -6.684 0.004 -7.709 1.00 0.00 C ATOM 316 CD LYS A 24 -6.340 1.082 -8.723 1.00 0.00 C ATOM 317 CE LYS A 24 -7.553 1.475 -9.552 1.00 0.00 C ATOM 318 NZ LYS A 24 -8.509 2.312 -8.776 1.00 0.00 N ATOM 0 H LYS A 24 -7.249 -2.331 -6.380 1.00 0.00 H new ATOM 0 HA LYS A 24 -5.276 -0.935 -4.671 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -5.364 0.919 -6.297 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -4.735 -0.546 -7.024 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -6.769 -0.958 -8.214 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -7.656 0.218 -7.265 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -5.952 1.959 -8.205 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -5.548 0.724 -9.381 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -7.226 2.022 -10.436 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -8.060 0.576 -9.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -9.222 2.712 -9.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -8.981 1.725 -8.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -7.993 3.084 -8.308 1.00 0.00 H new ATOM 332 N HIS A 25 -7.007 0.604 -3.716 1.00 0.00 N ATOM 333 CA HIS A 25 -8.057 1.323 -3.004 1.00 0.00 C ATOM 334 C HIS A 25 -7.479 2.502 -2.228 1.00 0.00 C ATOM 335 O HIS A 25 -6.776 2.319 -1.234 1.00 0.00 O ATOM 336 CB HIS A 25 -8.792 0.381 -2.050 1.00 0.00 C ATOM 337 CG HIS A 25 -9.745 1.083 -1.131 1.00 0.00 C ATOM 338 ND1 HIS A 25 -11.068 1.306 -1.446 1.00 0.00 N ATOM 339 CD2 HIS A 25 -9.559 1.610 0.102 1.00 0.00 C ATOM 340 CE1 HIS A 25 -11.655 1.942 -0.448 1.00 0.00 C ATOM 341 NE2 HIS A 25 -10.761 2.139 0.504 1.00 0.00 N ATOM 0 H HIS A 25 -6.065 0.775 -3.364 1.00 0.00 H new ATOM 0 HA HIS A 25 -8.763 1.707 -3.740 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -9.341 -0.358 -2.634 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -8.060 -0.163 -1.454 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -11.523 1.024 -2.314 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -8.637 1.614 0.665 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -12.690 2.249 -0.416 1.00 0.00 H new ATOM 350 N ALA A 26 -7.778 3.712 -2.689 1.00 0.00 N ATOM 351 CA ALA A 26 -7.289 4.921 -2.038 1.00 0.00 C ATOM 352 C ALA A 26 -8.410 5.938 -1.854 1.00 0.00 C ATOM 353 O ALA A 26 -9.479 5.811 -2.450 1.00 0.00 O ATOM 354 CB ALA A 26 -6.148 5.529 -2.841 1.00 0.00 C ATOM 0 H ALA A 26 -8.357 3.881 -3.512 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.918 4.647 -1.051 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -5.793 6.431 -2.343 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.332 4.810 -2.915 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.501 5.782 -3.841 1.00 0.00 H new ATOM 360 N TRP A 27 -8.158 6.945 -1.026 1.00 0.00 N ATOM 361 CA TRP A 27 -9.148 7.984 -0.764 1.00 0.00 C ATOM 362 C TRP A 27 -9.310 8.900 -1.972 1.00 0.00 C ATOM 363 O TRP A 27 -8.387 9.053 -2.774 1.00 0.00 O ATOM 364 CB TRP A 27 -8.743 8.805 0.462 1.00 0.00 C ATOM 365 CG TRP A 27 -8.942 8.075 1.757 1.00 0.00 C ATOM 366 CD1 TRP A 27 -8.295 6.945 2.168 1.00 0.00 C ATOM 367 CD2 TRP A 27 -9.850 8.425 2.807 1.00 0.00 C ATOM 368 NE1 TRP A 27 -8.746 6.571 3.411 1.00 0.00 N ATOM 369 CE2 TRP A 27 -9.700 7.463 3.825 1.00 0.00 C ATOM 370 CE3 TRP A 27 -10.774 9.458 2.987 1.00 0.00 C ATOM 371 CZ2 TRP A 27 -10.440 7.505 5.003 1.00 0.00 C ATOM 372 CZ3 TRP A 27 -11.508 9.498 4.157 1.00 0.00 C ATOM 373 CH2 TRP A 27 -11.337 8.528 5.153 1.00 0.00 C ATOM 0 H TRP A 27 -7.278 7.065 -0.525 1.00 0.00 H new ATOM 0 HA TRP A 27 -10.104 7.498 -0.569 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -7.695 9.089 0.370 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -9.323 9.728 0.480 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -7.540 6.422 1.600 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -8.423 5.761 3.940 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -10.912 10.211 2.225 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -10.311 6.757 5.771 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -12.226 10.291 4.306 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -11.925 8.588 6.057 1.00 0.00 H new ATOM 384 N CYS A 28 -10.485 9.505 -2.097 1.00 0.00 N ATOM 385 CA CYS A 28 -10.767 10.405 -3.210 1.00 0.00 C ATOM 386 C CYS A 28 -10.126 11.770 -2.980 1.00 0.00 C ATOM 387 O CYS A 28 -10.552 12.529 -2.111 1.00 0.00 O ATOM 388 CB CYS A 28 -12.277 10.563 -3.396 1.00 0.00 C ATOM 389 SG CYS A 28 -13.106 9.071 -3.993 1.00 0.00 S ATOM 0 H CYS A 28 -11.258 9.389 -1.442 1.00 0.00 H new ATOM 0 HA CYS A 28 -10.341 9.970 -4.114 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -12.721 10.857 -2.445 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -12.463 11.375 -4.099 1.00 0.00 H new ATOM 0 HG CYS A 28 -14.379 9.302 -4.117 1.00 0.00 H new ATOM 395 N GLY A 29 -9.097 12.075 -3.766 1.00 0.00 N ATOM 396 CA GLY A 29 -8.412 13.347 -3.631 1.00 0.00 C ATOM 397 C GLY A 29 -6.918 13.228 -3.858 1.00 0.00 C ATOM 398 O GLY A 29 -6.146 13.118 -2.907 1.00 0.00 O ATOM 0 H GLY A 29 -8.726 11.464 -4.493 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -8.829 14.058 -4.344 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -8.594 13.750 -2.635 1.00 0.00 H new ATOM 402 N GLY A 30 -6.510 13.248 -5.123 1.00 0.00 N ATOM 403 CA GLY A 30 -5.100 13.139 -5.449 1.00 0.00 C ATOM 404 C GLY A 30 -4.799 11.941 -6.327 1.00 0.00 C ATOM 405 O GLY A 30 -5.394 10.877 -6.162 1.00 0.00 O ATOM 0 H GLY A 30 -7.130 13.338 -5.928 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -4.776 14.048 -5.956 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.522 13.065 -4.528 1.00 0.00 H new ATOM 409 N ASN A 31 -3.873 12.113 -7.265 1.00 0.00 N ATOM 410 CA ASN A 31 -3.495 11.037 -8.174 1.00 0.00 C ATOM 411 C ASN A 31 -2.164 10.418 -7.761 1.00 0.00 C ATOM 412 O ASN A 31 -1.099 10.981 -8.017 1.00 0.00 O ATOM 413 CB ASN A 31 -3.404 11.562 -9.608 1.00 0.00 C ATOM 414 CG ASN A 31 -4.765 11.877 -10.197 1.00 0.00 C ATOM 415 OD1 ASN A 31 -5.718 11.116 -10.028 1.00 0.00 O ATOM 416 ND2 ASN A 31 -4.863 13.004 -10.893 1.00 0.00 N ATOM 0 H ASN A 31 -3.370 12.988 -7.415 1.00 0.00 H new ATOM 0 HA ASN A 31 -4.264 10.266 -8.125 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -2.788 12.461 -9.624 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -2.904 10.821 -10.232 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -5.754 13.268 -11.313 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -4.047 13.605 -11.008 1.00 0.00 H new ATOM 423 N PHE A 32 -2.231 9.255 -7.121 1.00 0.00 N ATOM 424 CA PHE A 32 -1.031 8.559 -6.672 1.00 0.00 C ATOM 425 C PHE A 32 -0.718 7.374 -7.581 1.00 0.00 C ATOM 426 O PHE A 32 0.442 7.107 -7.896 1.00 0.00 O ATOM 427 CB PHE A 32 -1.204 8.079 -5.230 1.00 0.00 C ATOM 428 CG PHE A 32 -0.977 9.156 -4.208 1.00 0.00 C ATOM 429 CD1 PHE A 32 0.283 9.703 -4.027 1.00 0.00 C ATOM 430 CD2 PHE A 32 -2.023 9.622 -3.429 1.00 0.00 C ATOM 431 CE1 PHE A 32 0.495 10.693 -3.087 1.00 0.00 C ATOM 432 CE2 PHE A 32 -1.817 10.613 -2.487 1.00 0.00 C ATOM 433 CZ PHE A 32 -0.556 11.150 -2.317 1.00 0.00 C ATOM 0 H PHE A 32 -3.104 8.775 -6.902 1.00 0.00 H new ATOM 0 HA PHE A 32 -0.197 9.259 -6.717 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.210 7.679 -5.107 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -0.510 7.259 -5.043 1.00 0.00 H new ATOM 0 HD1 PHE A 32 1.109 9.351 -4.628 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -3.011 9.206 -3.559 1.00 0.00 H new ATOM 0 HE1 PHE A 32 1.483 11.109 -2.954 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -2.641 10.967 -1.885 1.00 0.00 H new ATOM 0 HZ PHE A 32 -0.392 11.926 -1.583 1.00 0.00 H new ATOM 443 N LEU A 33 -1.761 6.665 -7.998 1.00 0.00 N ATOM 444 CA LEU A 33 -1.599 5.507 -8.871 1.00 0.00 C ATOM 445 C LEU A 33 -0.487 5.742 -9.888 1.00 0.00 C ATOM 446 O LEU A 33 0.303 4.844 -10.176 1.00 0.00 O ATOM 447 CB LEU A 33 -2.912 5.201 -9.594 1.00 0.00 C ATOM 448 CG LEU A 33 -2.967 3.875 -10.354 1.00 0.00 C ATOM 449 CD1 LEU A 33 -2.960 2.704 -9.384 1.00 0.00 C ATOM 450 CD2 LEU A 33 -4.198 3.822 -11.247 1.00 0.00 C ATOM 0 H LEU A 33 -2.728 6.871 -7.746 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.324 4.652 -8.252 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.718 5.210 -8.860 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.113 6.009 -10.298 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.081 3.803 -10.986 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.000 1.769 -9.942 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -2.049 2.732 -8.787 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.827 2.771 -8.727 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.220 2.871 -11.780 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.095 3.916 -10.636 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.161 4.640 -11.966 1.00 0.00 H new ATOM 462 N GLU A 34 -0.432 6.956 -10.426 1.00 0.00 N ATOM 463 CA GLU A 34 0.584 7.310 -11.410 1.00 0.00 C ATOM 464 C GLU A 34 1.985 7.128 -10.834 1.00 0.00 C ATOM 465 O GLU A 34 2.734 6.247 -11.258 1.00 0.00 O ATOM 466 CB GLU A 34 0.395 8.755 -11.875 1.00 0.00 C ATOM 467 CG GLU A 34 0.854 9.000 -13.303 1.00 0.00 C ATOM 468 CD GLU A 34 0.154 10.183 -13.945 1.00 0.00 C ATOM 469 OE1 GLU A 34 -0.925 9.982 -14.540 1.00 0.00 O ATOM 470 OE2 GLU A 34 0.686 11.309 -13.853 1.00 0.00 O ATOM 0 H GLU A 34 -1.079 7.711 -10.197 1.00 0.00 H new ATOM 0 HA GLU A 34 0.472 6.644 -12.266 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -0.659 9.020 -11.791 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.945 9.418 -11.207 1.00 0.00 H new ATOM 0 HG2 GLU A 34 1.930 9.171 -13.311 1.00 0.00 H new ATOM 0 HG3 GLU A 34 0.669 8.106 -13.899 1.00 0.00 H new ATOM 477 N VAL A 35 2.334 7.968 -9.865 1.00 0.00 N ATOM 478 CA VAL A 35 3.645 7.901 -9.229 1.00 0.00 C ATOM 479 C VAL A 35 3.934 6.496 -8.713 1.00 0.00 C ATOM 480 O VAL A 35 5.040 5.979 -8.873 1.00 0.00 O ATOM 481 CB VAL A 35 3.753 8.898 -8.060 1.00 0.00 C ATOM 482 CG1 VAL A 35 2.633 8.670 -7.058 1.00 0.00 C ATOM 483 CG2 VAL A 35 5.113 8.784 -7.388 1.00 0.00 C ATOM 0 H VAL A 35 1.727 8.703 -9.503 1.00 0.00 H new ATOM 0 HA VAL A 35 4.380 8.164 -9.990 1.00 0.00 H new ATOM 0 HB VAL A 35 3.652 9.908 -8.456 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.726 9.384 -6.239 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.670 8.807 -7.551 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.698 7.656 -6.664 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.173 9.495 -6.564 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.246 7.772 -7.004 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.897 9.002 -8.113 1.00 0.00 H new ATOM 493 N THR A 36 2.931 5.881 -8.094 1.00 0.00 N ATOM 494 CA THR A 36 3.077 4.536 -7.553 1.00 0.00 C ATOM 495 C THR A 36 3.552 3.561 -8.625 1.00 0.00 C ATOM 496 O THR A 36 4.564 2.883 -8.455 1.00 0.00 O ATOM 497 CB THR A 36 1.752 4.022 -6.959 1.00 0.00 C ATOM 498 OG1 THR A 36 1.299 4.911 -5.932 1.00 0.00 O ATOM 499 CG2 THR A 36 1.922 2.623 -6.387 1.00 0.00 C ATOM 0 H THR A 36 2.009 6.294 -7.955 1.00 0.00 H new ATOM 0 HA THR A 36 3.823 4.593 -6.761 1.00 0.00 H new ATOM 0 HB THR A 36 1.012 3.983 -7.758 1.00 0.00 H new ATOM 0 HG1 THR A 36 0.960 5.735 -6.339 1.00 0.00 H new ATOM 0 HG21 THR A 36 0.973 2.281 -5.973 1.00 0.00 H new ATOM 0 HG22 THR A 36 2.239 1.943 -7.177 1.00 0.00 H new ATOM 0 HG23 THR A 36 2.676 2.641 -5.600 1.00 0.00 H new ATOM 507 N GLU A 37 2.813 3.497 -9.728 1.00 0.00 N ATOM 508 CA GLU A 37 3.160 2.604 -10.828 1.00 0.00 C ATOM 509 C GLU A 37 4.610 2.809 -11.258 1.00 0.00 C ATOM 510 O GLU A 37 5.376 1.852 -11.368 1.00 0.00 O ATOM 511 CB GLU A 37 2.226 2.836 -12.017 1.00 0.00 C ATOM 512 CG GLU A 37 0.838 2.248 -11.824 1.00 0.00 C ATOM 513 CD GLU A 37 0.197 1.826 -13.132 1.00 0.00 C ATOM 514 OE1 GLU A 37 -0.179 2.715 -13.924 1.00 0.00 O ATOM 515 OE2 GLU A 37 0.070 0.605 -13.363 1.00 0.00 O ATOM 0 H GLU A 37 1.971 4.052 -9.884 1.00 0.00 H new ATOM 0 HA GLU A 37 3.044 1.578 -10.480 1.00 0.00 H new ATOM 0 HB2 GLU A 37 2.136 3.908 -12.194 1.00 0.00 H new ATOM 0 HB3 GLU A 37 2.674 2.402 -12.911 1.00 0.00 H new ATOM 0 HG2 GLU A 37 0.902 1.386 -11.160 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.201 2.983 -11.332 1.00 0.00 H new ATOM 522 N GLN A 38 4.977 4.063 -11.501 1.00 0.00 N ATOM 523 CA GLN A 38 6.334 4.393 -11.921 1.00 0.00 C ATOM 524 C GLN A 38 7.359 3.830 -10.943 1.00 0.00 C ATOM 525 O GLN A 38 8.392 3.298 -11.350 1.00 0.00 O ATOM 526 CB GLN A 38 6.500 5.910 -12.035 1.00 0.00 C ATOM 527 CG GLN A 38 5.745 6.518 -13.206 1.00 0.00 C ATOM 528 CD GLN A 38 6.254 6.026 -14.547 1.00 0.00 C ATOM 529 OE1 GLN A 38 7.152 6.625 -15.141 1.00 0.00 O ATOM 530 NE2 GLN A 38 5.682 4.930 -15.032 1.00 0.00 N ATOM 0 H GLN A 38 4.355 4.866 -11.414 1.00 0.00 H new ATOM 0 HA GLN A 38 6.505 3.941 -12.898 1.00 0.00 H new ATOM 0 HB2 GLN A 38 6.157 6.375 -11.111 1.00 0.00 H new ATOM 0 HB3 GLN A 38 7.560 6.145 -12.135 1.00 0.00 H new ATOM 0 HG2 GLN A 38 4.686 6.279 -13.114 1.00 0.00 H new ATOM 0 HG3 GLN A 38 5.832 7.604 -13.165 1.00 0.00 H new ATOM 0 HE21 GLN A 38 4.941 4.466 -14.506 1.00 0.00 H new ATOM 0 HE22 GLN A 38 5.983 4.552 -15.930 1.00 0.00 H new ATOM 539 N ILE A 39 7.066 3.950 -9.653 1.00 0.00 N ATOM 540 CA ILE A 39 7.963 3.452 -8.617 1.00 0.00 C ATOM 541 C ILE A 39 8.017 1.928 -8.623 1.00 0.00 C ATOM 542 O ILE A 39 9.084 1.333 -8.463 1.00 0.00 O ATOM 543 CB ILE A 39 7.531 3.934 -7.219 1.00 0.00 C ATOM 544 CG1 ILE A 39 7.665 5.454 -7.115 1.00 0.00 C ATOM 545 CG2 ILE A 39 8.360 3.249 -6.143 1.00 0.00 C ATOM 546 CD1 ILE A 39 9.097 5.940 -7.171 1.00 0.00 C ATOM 0 H ILE A 39 6.215 4.387 -9.300 1.00 0.00 H new ATOM 0 HA ILE A 39 8.953 3.849 -8.839 1.00 0.00 H new ATOM 0 HB ILE A 39 6.484 3.670 -7.068 1.00 0.00 H new ATOM 0 HG12 ILE A 39 7.101 5.917 -7.925 1.00 0.00 H new ATOM 0 HG13 ILE A 39 7.213 5.787 -6.181 1.00 0.00 H new ATOM 0 HG21 ILE A 39 8.043 3.600 -5.161 1.00 0.00 H new ATOM 0 HG22 ILE A 39 8.218 2.170 -6.206 1.00 0.00 H new ATOM 0 HG23 ILE A 39 9.414 3.485 -6.290 1.00 0.00 H new ATOM 0 HD11 ILE A 39 9.116 7.027 -7.092 1.00 0.00 H new ATOM 0 HD12 ILE A 39 9.661 5.506 -6.345 1.00 0.00 H new ATOM 0 HD13 ILE A 39 9.547 5.637 -8.116 1.00 0.00 H new ATOM 558 N LEU A 40 6.861 1.302 -8.811 1.00 0.00 N ATOM 559 CA LEU A 40 6.776 -0.154 -8.841 1.00 0.00 C ATOM 560 C LEU A 40 7.743 -0.736 -9.867 1.00 0.00 C ATOM 561 O LEU A 40 8.438 -1.714 -9.594 1.00 0.00 O ATOM 562 CB LEU A 40 5.347 -0.595 -9.163 1.00 0.00 C ATOM 563 CG LEU A 40 4.288 -0.258 -8.113 1.00 0.00 C ATOM 564 CD1 LEU A 40 2.893 -0.346 -8.714 1.00 0.00 C ATOM 565 CD2 LEU A 40 4.412 -1.187 -6.913 1.00 0.00 C ATOM 0 H LEU A 40 5.970 1.779 -8.945 1.00 0.00 H new ATOM 0 HA LEU A 40 7.052 -0.529 -7.856 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.051 -0.139 -10.108 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.347 -1.674 -9.317 1.00 0.00 H new ATOM 0 HG LEU A 40 4.452 0.765 -7.775 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.153 -0.103 -7.952 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.808 0.359 -9.541 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.718 -1.357 -9.080 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.650 -0.933 -6.176 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.274 -2.219 -7.236 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.400 -1.075 -6.467 1.00 0.00 H new ATOM 577 N ALA A 41 7.784 -0.125 -11.046 1.00 0.00 N ATOM 578 CA ALA A 41 8.669 -0.579 -12.112 1.00 0.00 C ATOM 579 C ALA A 41 10.132 -0.404 -11.721 1.00 0.00 C ATOM 580 O ALA A 41 11.033 -0.858 -12.427 1.00 0.00 O ATOM 581 CB ALA A 41 8.371 0.172 -13.401 1.00 0.00 C ATOM 0 H ALA A 41 7.215 0.686 -11.287 1.00 0.00 H new ATOM 0 HA ALA A 41 8.488 -1.642 -12.274 1.00 0.00 H new ATOM 0 HB1 ALA A 41 9.039 -0.177 -14.188 1.00 0.00 H new ATOM 0 HB2 ALA A 41 7.337 -0.008 -13.696 1.00 0.00 H new ATOM 0 HB3 ALA A 41 8.523 1.240 -13.243 1.00 0.00 H new ATOM 587 N LYS A 42 10.364 0.257 -10.592 1.00 0.00 N ATOM 588 CA LYS A 42 11.718 0.492 -10.106 1.00 0.00 C ATOM 589 C LYS A 42 12.000 -0.337 -8.857 1.00 0.00 C ATOM 590 O LYS A 42 13.153 -0.633 -8.544 1.00 0.00 O ATOM 591 CB LYS A 42 11.923 1.978 -9.802 1.00 0.00 C ATOM 592 CG LYS A 42 12.240 2.812 -11.031 1.00 0.00 C ATOM 593 CD LYS A 42 12.010 4.292 -10.775 1.00 0.00 C ATOM 594 CE LYS A 42 13.264 4.966 -10.237 1.00 0.00 C ATOM 595 NZ LYS A 42 14.264 5.214 -11.312 1.00 0.00 N ATOM 0 H LYS A 42 9.630 0.640 -9.996 1.00 0.00 H new ATOM 0 HA LYS A 42 12.415 0.188 -10.887 1.00 0.00 H new ATOM 0 HB2 LYS A 42 11.023 2.371 -9.329 1.00 0.00 H new ATOM 0 HB3 LYS A 42 12.734 2.084 -9.082 1.00 0.00 H new ATOM 0 HG2 LYS A 42 13.277 2.649 -11.325 1.00 0.00 H new ATOM 0 HG3 LYS A 42 11.618 2.485 -11.864 1.00 0.00 H new ATOM 0 HD2 LYS A 42 11.702 4.779 -11.700 1.00 0.00 H new ATOM 0 HD3 LYS A 42 11.194 4.417 -10.063 1.00 0.00 H new ATOM 0 HE2 LYS A 42 12.995 5.911 -9.766 1.00 0.00 H new ATOM 0 HE3 LYS A 42 13.710 4.340 -9.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 15.221 5.197 -10.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 14.183 4.474 -12.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 14.087 6.144 -11.743 1.00 0.00 H new ATOM 609 N ILE A 43 10.939 -0.708 -8.148 1.00 0.00 N ATOM 610 CA ILE A 43 11.073 -1.505 -6.935 1.00 0.00 C ATOM 611 C ILE A 43 11.385 -2.961 -7.265 1.00 0.00 C ATOM 612 O ILE A 43 10.710 -3.598 -8.073 1.00 0.00 O ATOM 613 CB ILE A 43 9.794 -1.447 -6.079 1.00 0.00 C ATOM 614 CG1 ILE A 43 9.627 -0.055 -5.466 1.00 0.00 C ATOM 615 CG2 ILE A 43 9.836 -2.509 -4.991 1.00 0.00 C ATOM 616 CD1 ILE A 43 8.323 0.125 -4.721 1.00 0.00 C ATOM 0 H ILE A 43 9.978 -0.470 -8.393 1.00 0.00 H new ATOM 0 HA ILE A 43 11.900 -1.079 -6.367 1.00 0.00 H new ATOM 0 HB ILE A 43 8.936 -1.646 -6.721 1.00 0.00 H new ATOM 0 HG12 ILE A 43 10.455 0.134 -4.783 1.00 0.00 H new ATOM 0 HG13 ILE A 43 9.690 0.692 -6.258 1.00 0.00 H new ATOM 0 HG21 ILE A 43 8.925 -2.455 -4.395 1.00 0.00 H new ATOM 0 HG22 ILE A 43 9.913 -3.495 -5.448 1.00 0.00 H new ATOM 0 HG23 ILE A 43 10.700 -2.338 -4.349 1.00 0.00 H new ATOM 0 HD11 ILE A 43 8.273 1.135 -4.313 1.00 0.00 H new ATOM 0 HD12 ILE A 43 7.489 -0.032 -5.405 1.00 0.00 H new ATOM 0 HD13 ILE A 43 8.266 -0.598 -3.907 1.00 0.00 H new ATOM 628 N PRO A 44 12.431 -3.502 -6.623 1.00 0.00 N ATOM 629 CA PRO A 44 12.855 -4.890 -6.830 1.00 0.00 C ATOM 630 C PRO A 44 11.859 -5.892 -6.256 1.00 0.00 C ATOM 631 O PRO A 44 11.027 -5.544 -5.418 1.00 0.00 O ATOM 632 CB PRO A 44 14.187 -4.970 -6.080 1.00 0.00 C ATOM 633 CG PRO A 44 14.100 -3.906 -5.040 1.00 0.00 C ATOM 634 CD PRO A 44 13.280 -2.801 -5.646 1.00 0.00 C ATOM 0 HA PRO A 44 12.931 -5.139 -7.888 1.00 0.00 H new ATOM 0 HB2 PRO A 44 14.330 -5.953 -5.630 1.00 0.00 H new ATOM 0 HB3 PRO A 44 15.030 -4.801 -6.750 1.00 0.00 H new ATOM 0 HG2 PRO A 44 13.633 -4.286 -4.131 1.00 0.00 H new ATOM 0 HG3 PRO A 44 15.092 -3.549 -4.763 1.00 0.00 H new ATOM 0 HD2 PRO A 44 12.684 -2.284 -4.894 1.00 0.00 H new ATOM 0 HD3 PRO A 44 13.909 -2.051 -6.125 1.00 0.00 H new ATOM 642 N SER A 45 11.951 -7.138 -6.711 1.00 0.00 N ATOM 643 CA SER A 45 11.055 -8.190 -6.245 1.00 0.00 C ATOM 644 C SER A 45 11.800 -9.183 -5.358 1.00 0.00 C ATOM 645 O SER A 45 11.494 -10.375 -5.352 1.00 0.00 O ATOM 646 CB SER A 45 10.429 -8.920 -7.434 1.00 0.00 C ATOM 647 OG SER A 45 9.524 -8.080 -8.129 1.00 0.00 O ATOM 0 H SER A 45 12.637 -7.443 -7.402 1.00 0.00 H new ATOM 0 HA SER A 45 10.264 -7.726 -5.656 1.00 0.00 H new ATOM 0 HB2 SER A 45 11.213 -9.255 -8.113 1.00 0.00 H new ATOM 0 HB3 SER A 45 9.908 -9.811 -7.084 1.00 0.00 H new ATOM 0 HG SER A 45 9.139 -8.569 -8.886 1.00 0.00 H new ATOM 653 N GLU A 46 12.779 -8.683 -4.612 1.00 0.00 N ATOM 654 CA GLU A 46 13.569 -9.526 -3.722 1.00 0.00 C ATOM 655 C GLU A 46 13.252 -9.222 -2.261 1.00 0.00 C ATOM 656 O GLU A 46 12.953 -8.083 -1.904 1.00 0.00 O ATOM 657 CB GLU A 46 15.063 -9.325 -3.985 1.00 0.00 C ATOM 658 CG GLU A 46 15.530 -9.898 -5.312 1.00 0.00 C ATOM 659 CD GLU A 46 16.987 -10.318 -5.286 1.00 0.00 C ATOM 660 OE1 GLU A 46 17.441 -10.814 -4.234 1.00 0.00 O ATOM 661 OE2 GLU A 46 17.672 -10.151 -6.316 1.00 0.00 O ATOM 0 H GLU A 46 13.045 -7.698 -4.606 1.00 0.00 H new ATOM 0 HA GLU A 46 13.310 -10.565 -3.923 1.00 0.00 H new ATOM 0 HB2 GLU A 46 15.287 -8.259 -3.960 1.00 0.00 H new ATOM 0 HB3 GLU A 46 15.631 -9.789 -3.179 1.00 0.00 H new ATOM 0 HG2 GLU A 46 14.912 -10.758 -5.569 1.00 0.00 H new ATOM 0 HG3 GLU A 46 15.384 -9.155 -6.096 1.00 0.00 H new ATOM 668 N ASN A 47 13.321 -10.249 -1.420 1.00 0.00 N ATOM 669 CA ASN A 47 13.040 -10.093 0.003 1.00 0.00 C ATOM 670 C ASN A 47 13.866 -8.956 0.598 1.00 0.00 C ATOM 671 O ASN A 47 14.954 -9.178 1.128 1.00 0.00 O ATOM 672 CB ASN A 47 13.334 -11.396 0.748 1.00 0.00 C ATOM 673 CG ASN A 47 12.229 -12.421 0.578 1.00 0.00 C ATOM 674 OD1 ASN A 47 11.986 -12.910 -0.524 1.00 0.00 O ATOM 675 ND2 ASN A 47 11.554 -12.750 1.674 1.00 0.00 N ATOM 0 H ASN A 47 13.569 -11.198 -1.699 1.00 0.00 H new ATOM 0 HA ASN A 47 11.984 -9.849 0.115 1.00 0.00 H new ATOM 0 HB2 ASN A 47 14.273 -11.815 0.386 1.00 0.00 H new ATOM 0 HB3 ASN A 47 13.468 -11.183 1.808 1.00 0.00 H new ATOM 0 HD21 ASN A 47 10.799 -13.434 1.622 1.00 0.00 H new ATOM 0 HD22 ASN A 47 11.791 -12.318 2.567 1.00 0.00 H new ATOM 682 N ASN A 48 13.341 -7.739 0.505 1.00 0.00 N ATOM 683 CA ASN A 48 14.029 -6.567 1.035 1.00 0.00 C ATOM 684 C ASN A 48 13.156 -5.322 0.911 1.00 0.00 C ATOM 685 O ASN A 48 12.434 -5.151 -0.071 1.00 0.00 O ATOM 686 CB ASN A 48 15.353 -6.351 0.298 1.00 0.00 C ATOM 687 CG ASN A 48 15.160 -5.702 -1.059 1.00 0.00 C ATOM 688 OD1 ASN A 48 14.596 -6.304 -1.973 1.00 0.00 O ATOM 689 ND2 ASN A 48 15.629 -4.468 -1.196 1.00 0.00 N ATOM 0 H ASN A 48 12.442 -7.538 0.068 1.00 0.00 H new ATOM 0 HA ASN A 48 14.233 -6.742 2.091 1.00 0.00 H new ATOM 0 HB2 ASN A 48 16.007 -5.726 0.907 1.00 0.00 H new ATOM 0 HB3 ASN A 48 15.856 -7.310 0.171 1.00 0.00 H new ATOM 0 HD21 ASN A 48 15.529 -3.980 -2.086 1.00 0.00 H new ATOM 0 HD22 ASN A 48 16.090 -4.007 -0.411 1.00 0.00 H new ATOM 696 N LYS A 49 13.229 -4.453 1.914 1.00 0.00 N ATOM 697 CA LYS A 49 12.448 -3.222 1.919 1.00 0.00 C ATOM 698 C LYS A 49 13.360 -1.999 1.893 1.00 0.00 C ATOM 699 O LYS A 49 14.526 -2.073 2.283 1.00 0.00 O ATOM 700 CB LYS A 49 11.544 -3.171 3.153 1.00 0.00 C ATOM 701 CG LYS A 49 12.307 -3.186 4.466 1.00 0.00 C ATOM 702 CD LYS A 49 11.478 -2.603 5.599 1.00 0.00 C ATOM 703 CE LYS A 49 11.847 -3.226 6.936 1.00 0.00 C ATOM 704 NZ LYS A 49 11.605 -2.290 8.069 1.00 0.00 N ATOM 0 H LYS A 49 13.822 -4.579 2.734 1.00 0.00 H new ATOM 0 HA LYS A 49 11.829 -3.211 1.022 1.00 0.00 H new ATOM 0 HB2 LYS A 49 10.932 -2.270 3.108 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.862 -4.021 3.129 1.00 0.00 H new ATOM 0 HG2 LYS A 49 12.591 -4.209 4.711 1.00 0.00 H new ATOM 0 HG3 LYS A 49 13.230 -2.616 4.358 1.00 0.00 H new ATOM 0 HD2 LYS A 49 11.629 -1.525 5.645 1.00 0.00 H new ATOM 0 HD3 LYS A 49 10.419 -2.768 5.399 1.00 0.00 H new ATOM 0 HE2 LYS A 49 11.265 -4.136 7.086 1.00 0.00 H new ATOM 0 HE3 LYS A 49 12.897 -3.517 6.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 11.869 -2.751 8.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 12.179 -1.432 7.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 10.598 -2.032 8.097 1.00 0.00 H new ATOM 718 N LEU A 50 12.822 -0.875 1.433 1.00 0.00 N ATOM 719 CA LEU A 50 13.587 0.365 1.358 1.00 0.00 C ATOM 720 C LEU A 50 12.683 1.575 1.569 1.00 0.00 C ATOM 721 O LEU A 50 11.486 1.529 1.284 1.00 0.00 O ATOM 722 CB LEU A 50 14.293 0.470 0.005 1.00 0.00 C ATOM 723 CG LEU A 50 14.864 1.844 -0.348 1.00 0.00 C ATOM 724 CD1 LEU A 50 16.058 1.702 -1.279 1.00 0.00 C ATOM 725 CD2 LEU A 50 13.792 2.720 -0.981 1.00 0.00 C ATOM 0 H LEU A 50 11.859 -0.797 1.106 1.00 0.00 H new ATOM 0 HA LEU A 50 14.335 0.351 2.151 1.00 0.00 H new ATOM 0 HB2 LEU A 50 15.106 -0.256 -0.016 1.00 0.00 H new ATOM 0 HB3 LEU A 50 13.588 0.181 -0.774 1.00 0.00 H new ATOM 0 HG LEU A 50 15.201 2.324 0.571 1.00 0.00 H new ATOM 0 HD11 LEU A 50 16.451 2.690 -1.520 1.00 0.00 H new ATOM 0 HD12 LEU A 50 16.833 1.112 -0.789 1.00 0.00 H new ATOM 0 HD13 LEU A 50 15.747 1.202 -2.196 1.00 0.00 H new ATOM 0 HD21 LEU A 50 14.216 3.694 -1.226 1.00 0.00 H new ATOM 0 HD22 LEU A 50 13.424 2.245 -1.891 1.00 0.00 H new ATOM 0 HD23 LEU A 50 12.967 2.849 -0.280 1.00 0.00 H new ATOM 737 N THR A 51 13.265 2.661 2.070 1.00 0.00 N ATOM 738 CA THR A 51 12.514 3.885 2.318 1.00 0.00 C ATOM 739 C THR A 51 12.728 4.898 1.200 1.00 0.00 C ATOM 740 O THR A 51 13.814 5.460 1.057 1.00 0.00 O ATOM 741 CB THR A 51 12.913 4.527 3.660 1.00 0.00 C ATOM 742 OG1 THR A 51 12.893 3.542 4.700 1.00 0.00 O ATOM 743 CG2 THR A 51 11.971 5.667 4.017 1.00 0.00 C ATOM 0 H THR A 51 14.254 2.717 2.312 1.00 0.00 H new ATOM 0 HA THR A 51 11.461 3.607 2.356 1.00 0.00 H new ATOM 0 HB THR A 51 13.921 4.928 3.559 1.00 0.00 H new ATOM 0 HG1 THR A 51 13.558 3.773 5.382 1.00 0.00 H new ATOM 0 HG21 THR A 51 12.273 6.104 4.969 1.00 0.00 H new ATOM 0 HG22 THR A 51 12.011 6.429 3.239 1.00 0.00 H new ATOM 0 HG23 THR A 51 10.953 5.286 4.100 1.00 0.00 H new ATOM 751 N TYR A 52 11.685 5.128 0.409 1.00 0.00 N ATOM 752 CA TYR A 52 11.760 6.074 -0.698 1.00 0.00 C ATOM 753 C TYR A 52 11.087 7.394 -0.335 1.00 0.00 C ATOM 754 O TYR A 52 9.921 7.421 0.058 1.00 0.00 O ATOM 755 CB TYR A 52 11.105 5.481 -1.947 1.00 0.00 C ATOM 756 CG TYR A 52 11.714 5.972 -3.241 1.00 0.00 C ATOM 757 CD1 TYR A 52 11.917 7.328 -3.466 1.00 0.00 C ATOM 758 CD2 TYR A 52 12.085 5.080 -4.240 1.00 0.00 C ATOM 759 CE1 TYR A 52 12.472 7.781 -4.647 1.00 0.00 C ATOM 760 CE2 TYR A 52 12.642 5.524 -5.423 1.00 0.00 C ATOM 761 CZ TYR A 52 12.834 6.876 -5.622 1.00 0.00 C ATOM 762 OH TYR A 52 13.387 7.322 -6.800 1.00 0.00 O ATOM 0 H TYR A 52 10.778 4.672 0.514 1.00 0.00 H new ATOM 0 HA TYR A 52 12.812 6.270 -0.905 1.00 0.00 H new ATOM 0 HB2 TYR A 52 11.184 4.395 -1.907 1.00 0.00 H new ATOM 0 HB3 TYR A 52 10.042 5.724 -1.940 1.00 0.00 H new ATOM 0 HD1 TYR A 52 11.636 8.040 -2.704 1.00 0.00 H new ATOM 0 HD2 TYR A 52 11.935 4.021 -4.089 1.00 0.00 H new ATOM 0 HE1 TYR A 52 12.622 8.839 -4.806 1.00 0.00 H new ATOM 0 HE2 TYR A 52 12.926 4.817 -6.188 1.00 0.00 H new ATOM 0 HH TYR A 52 13.586 6.556 -7.379 1.00 0.00 H new ATOM 772 N SER A 53 11.831 8.487 -0.469 1.00 0.00 N ATOM 773 CA SER A 53 11.309 9.811 -0.153 1.00 0.00 C ATOM 774 C SER A 53 10.978 10.583 -1.426 1.00 0.00 C ATOM 775 O SER A 53 11.871 10.996 -2.166 1.00 0.00 O ATOM 776 CB SER A 53 12.322 10.595 0.684 1.00 0.00 C ATOM 777 OG SER A 53 13.473 10.916 -0.078 1.00 0.00 O ATOM 0 H SER A 53 12.798 8.482 -0.794 1.00 0.00 H new ATOM 0 HA SER A 53 10.392 9.685 0.423 1.00 0.00 H new ATOM 0 HB2 SER A 53 11.861 11.510 1.055 1.00 0.00 H new ATOM 0 HB3 SER A 53 12.611 10.007 1.555 1.00 0.00 H new ATOM 0 HG SER A 53 13.233 10.967 -1.027 1.00 0.00 H new ATOM 783 N HIS A 54 9.686 10.774 -1.675 1.00 0.00 N ATOM 784 CA HIS A 54 9.235 11.498 -2.859 1.00 0.00 C ATOM 785 C HIS A 54 8.466 12.756 -2.466 1.00 0.00 C ATOM 786 O HIS A 54 7.301 12.687 -2.077 1.00 0.00 O ATOM 787 CB HIS A 54 8.355 10.598 -3.727 1.00 0.00 C ATOM 788 CG HIS A 54 7.718 11.314 -4.878 1.00 0.00 C ATOM 789 ND1 HIS A 54 6.750 12.283 -4.718 1.00 0.00 N ATOM 790 CD2 HIS A 54 7.917 11.200 -6.212 1.00 0.00 C ATOM 791 CE1 HIS A 54 6.379 12.732 -5.904 1.00 0.00 C ATOM 792 NE2 HIS A 54 7.073 12.091 -6.828 1.00 0.00 N ATOM 0 H HIS A 54 8.934 10.438 -1.074 1.00 0.00 H new ATOM 0 HA HIS A 54 10.114 11.795 -3.431 1.00 0.00 H new ATOM 0 HB2 HIS A 54 8.958 9.775 -4.111 1.00 0.00 H new ATOM 0 HB3 HIS A 54 7.574 10.159 -3.106 1.00 0.00 H new ATOM 0 HD1 HIS A 54 6.378 12.603 -3.824 1.00 0.00 H new ATOM 0 HD2 HIS A 54 8.611 10.532 -6.701 1.00 0.00 H new ATOM 0 HE1 HIS A 54 5.635 13.493 -6.087 1.00 0.00 H new ATOM 801 N GLY A 55 9.127 13.905 -2.572 1.00 0.00 N ATOM 802 CA GLY A 55 8.490 15.161 -2.224 1.00 0.00 C ATOM 803 C GLY A 55 8.076 15.217 -0.767 1.00 0.00 C ATOM 804 O GLY A 55 8.741 14.648 0.097 1.00 0.00 O ATOM 0 H GLY A 55 10.092 13.988 -2.893 1.00 0.00 H new ATOM 0 HA2 GLY A 55 9.174 15.983 -2.436 1.00 0.00 H new ATOM 0 HA3 GLY A 55 7.612 15.306 -2.854 1.00 0.00 H new ATOM 808 N ASN A 56 6.973 15.906 -0.493 1.00 0.00 N ATOM 809 CA ASN A 56 6.471 16.036 0.871 1.00 0.00 C ATOM 810 C ASN A 56 5.643 14.817 1.264 1.00 0.00 C ATOM 811 O ASN A 56 4.618 14.941 1.936 1.00 0.00 O ATOM 812 CB ASN A 56 5.628 17.306 1.008 1.00 0.00 C ATOM 813 CG ASN A 56 6.473 18.533 1.290 1.00 0.00 C ATOM 814 OD1 ASN A 56 6.807 18.820 2.440 1.00 0.00 O ATOM 815 ND2 ASN A 56 6.823 19.265 0.238 1.00 0.00 N ATOM 0 H ASN A 56 6.410 16.383 -1.197 1.00 0.00 H new ATOM 0 HA ASN A 56 7.327 16.103 1.542 1.00 0.00 H new ATOM 0 HB2 ASN A 56 5.060 17.462 0.091 1.00 0.00 H new ATOM 0 HB3 ASN A 56 4.905 17.174 1.813 1.00 0.00 H new ATOM 0 HD21 ASN A 56 7.391 20.102 0.366 1.00 0.00 H new ATOM 0 HD22 ASN A 56 6.524 18.989 -0.697 1.00 0.00 H new ATOM 822 N TYR A 57 6.093 13.641 0.842 1.00 0.00 N ATOM 823 CA TYR A 57 5.393 12.400 1.148 1.00 0.00 C ATOM 824 C TYR A 57 6.362 11.222 1.185 1.00 0.00 C ATOM 825 O TYR A 57 7.285 11.136 0.373 1.00 0.00 O ATOM 826 CB TYR A 57 4.296 12.140 0.114 1.00 0.00 C ATOM 827 CG TYR A 57 3.071 13.006 0.300 1.00 0.00 C ATOM 828 CD1 TYR A 57 2.990 14.263 -0.286 1.00 0.00 C ATOM 829 CD2 TYR A 57 1.995 12.568 1.062 1.00 0.00 C ATOM 830 CE1 TYR A 57 1.873 15.059 -0.119 1.00 0.00 C ATOM 831 CE2 TYR A 57 0.874 13.356 1.233 1.00 0.00 C ATOM 832 CZ TYR A 57 0.818 14.601 0.641 1.00 0.00 C ATOM 833 OH TYR A 57 -0.297 15.390 0.811 1.00 0.00 O ATOM 0 H TYR A 57 6.940 13.521 0.287 1.00 0.00 H new ATOM 0 HA TYR A 57 4.938 12.503 2.133 1.00 0.00 H new ATOM 0 HB2 TYR A 57 4.702 12.308 -0.884 1.00 0.00 H new ATOM 0 HB3 TYR A 57 4.001 11.092 0.165 1.00 0.00 H new ATOM 0 HD1 TYR A 57 3.815 14.624 -0.883 1.00 0.00 H new ATOM 0 HD2 TYR A 57 2.036 11.595 1.528 1.00 0.00 H new ATOM 0 HE1 TYR A 57 1.827 16.034 -0.581 1.00 0.00 H new ATOM 0 HE2 TYR A 57 0.045 13.000 1.827 1.00 0.00 H new ATOM 0 HH TYR A 57 -0.948 14.919 1.372 1.00 0.00 H new ATOM 843 N LEU A 58 6.147 10.316 2.132 1.00 0.00 N ATOM 844 CA LEU A 58 7.000 9.142 2.276 1.00 0.00 C ATOM 845 C LEU A 58 6.418 7.950 1.522 1.00 0.00 C ATOM 846 O LEU A 58 5.215 7.692 1.581 1.00 0.00 O ATOM 847 CB LEU A 58 7.171 8.790 3.755 1.00 0.00 C ATOM 848 CG LEU A 58 7.853 9.849 4.622 1.00 0.00 C ATOM 849 CD1 LEU A 58 7.633 9.554 6.098 1.00 0.00 C ATOM 850 CD2 LEU A 58 9.340 9.919 4.307 1.00 0.00 C ATOM 0 H LEU A 58 5.389 10.372 2.812 1.00 0.00 H new ATOM 0 HA LEU A 58 7.975 9.377 1.849 1.00 0.00 H new ATOM 0 HB2 LEU A 58 6.187 8.584 4.175 1.00 0.00 H new ATOM 0 HB3 LEU A 58 7.746 7.867 3.824 1.00 0.00 H new ATOM 0 HG LEU A 58 7.407 10.818 4.396 1.00 0.00 H new ATOM 0 HD11 LEU A 58 8.126 10.318 6.699 1.00 0.00 H new ATOM 0 HD12 LEU A 58 6.565 9.555 6.314 1.00 0.00 H new ATOM 0 HD13 LEU A 58 8.051 8.577 6.340 1.00 0.00 H new ATOM 0 HD21 LEU A 58 9.809 10.678 4.933 1.00 0.00 H new ATOM 0 HD22 LEU A 58 9.800 8.951 4.504 1.00 0.00 H new ATOM 0 HD23 LEU A 58 9.478 10.179 3.257 1.00 0.00 H new ATOM 862 N PHE A 59 7.279 7.226 0.816 1.00 0.00 N ATOM 863 CA PHE A 59 6.851 6.060 0.051 1.00 0.00 C ATOM 864 C PHE A 59 7.475 4.784 0.609 1.00 0.00 C ATOM 865 O PHE A 59 8.591 4.413 0.242 1.00 0.00 O ATOM 866 CB PHE A 59 7.228 6.224 -1.422 1.00 0.00 C ATOM 867 CG PHE A 59 6.270 7.085 -2.194 1.00 0.00 C ATOM 868 CD1 PHE A 59 5.917 8.341 -1.728 1.00 0.00 C ATOM 869 CD2 PHE A 59 5.723 6.639 -3.387 1.00 0.00 C ATOM 870 CE1 PHE A 59 5.035 9.135 -2.436 1.00 0.00 C ATOM 871 CE2 PHE A 59 4.841 7.429 -4.099 1.00 0.00 C ATOM 872 CZ PHE A 59 4.497 8.679 -3.624 1.00 0.00 C ATOM 0 H PHE A 59 8.278 7.426 0.757 1.00 0.00 H new ATOM 0 HA PHE A 59 5.767 5.980 0.135 1.00 0.00 H new ATOM 0 HB2 PHE A 59 8.226 6.657 -1.487 1.00 0.00 H new ATOM 0 HB3 PHE A 59 7.276 5.240 -1.888 1.00 0.00 H new ATOM 0 HD1 PHE A 59 6.336 8.704 -0.801 1.00 0.00 H new ATOM 0 HD2 PHE A 59 5.989 5.663 -3.764 1.00 0.00 H new ATOM 0 HE1 PHE A 59 4.766 10.111 -2.061 1.00 0.00 H new ATOM 0 HE2 PHE A 59 4.421 7.069 -5.027 1.00 0.00 H new ATOM 0 HZ PHE A 59 3.809 9.299 -4.180 1.00 0.00 H new ATOM 882 N HIS A 60 6.748 4.117 1.500 1.00 0.00 N ATOM 883 CA HIS A 60 7.230 2.883 2.109 1.00 0.00 C ATOM 884 C HIS A 60 6.711 1.664 1.351 1.00 0.00 C ATOM 885 O HIS A 60 5.504 1.490 1.189 1.00 0.00 O ATOM 886 CB HIS A 60 6.796 2.809 3.574 1.00 0.00 C ATOM 887 CG HIS A 60 6.899 4.118 4.295 1.00 0.00 C ATOM 888 ND1 HIS A 60 8.045 4.535 4.937 1.00 0.00 N ATOM 889 CD2 HIS A 60 5.989 5.104 4.472 1.00 0.00 C ATOM 890 CE1 HIS A 60 7.836 5.722 5.479 1.00 0.00 C ATOM 891 NE2 HIS A 60 6.596 6.090 5.211 1.00 0.00 N ATOM 0 H HIS A 60 5.824 4.410 1.816 1.00 0.00 H new ATOM 0 HA HIS A 60 8.319 2.884 2.059 1.00 0.00 H new ATOM 0 HB2 HIS A 60 5.766 2.457 3.622 1.00 0.00 H new ATOM 0 HB3 HIS A 60 7.410 2.070 4.089 1.00 0.00 H new ATOM 0 HD1 HIS A 60 8.918 4.010 4.986 1.00 0.00 H new ATOM 0 HD2 HIS A 60 4.975 5.114 4.101 1.00 0.00 H new ATOM 0 HE1 HIS A 60 8.557 6.294 6.045 1.00 0.00 H new ATOM 900 N TYR A 61 7.632 0.826 0.889 1.00 0.00 N ATOM 901 CA TYR A 61 7.268 -0.375 0.146 1.00 0.00 C ATOM 902 C TYR A 61 7.843 -1.622 0.809 1.00 0.00 C ATOM 903 O TYR A 61 8.992 -1.629 1.252 1.00 0.00 O ATOM 904 CB TYR A 61 7.765 -0.276 -1.298 1.00 0.00 C ATOM 905 CG TYR A 61 9.178 -0.779 -1.487 1.00 0.00 C ATOM 906 CD1 TYR A 61 9.487 -2.123 -1.319 1.00 0.00 C ATOM 907 CD2 TYR A 61 10.205 0.090 -1.837 1.00 0.00 C ATOM 908 CE1 TYR A 61 10.777 -2.586 -1.490 1.00 0.00 C ATOM 909 CE2 TYR A 61 11.497 -0.365 -2.012 1.00 0.00 C ATOM 910 CZ TYR A 61 11.778 -1.704 -1.837 1.00 0.00 C ATOM 911 OH TYR A 61 13.064 -2.162 -2.010 1.00 0.00 O ATOM 0 H TYR A 61 8.636 0.956 1.016 1.00 0.00 H new ATOM 0 HA TYR A 61 6.181 -0.455 0.145 1.00 0.00 H new ATOM 0 HB2 TYR A 61 7.096 -0.845 -1.944 1.00 0.00 H new ATOM 0 HB3 TYR A 61 7.712 0.764 -1.621 1.00 0.00 H new ATOM 0 HD1 TYR A 61 8.705 -2.818 -1.050 1.00 0.00 H new ATOM 0 HD2 TYR A 61 9.989 1.139 -1.974 1.00 0.00 H new ATOM 0 HE1 TYR A 61 11.000 -3.634 -1.353 1.00 0.00 H new ATOM 0 HE2 TYR A 61 12.283 0.324 -2.284 1.00 0.00 H new ATOM 0 HH TYR A 61 13.648 -1.414 -2.254 1.00 0.00 H new ATOM 921 N ILE A 62 7.036 -2.676 0.873 1.00 0.00 N ATOM 922 CA ILE A 62 7.464 -3.930 1.481 1.00 0.00 C ATOM 923 C ILE A 62 7.426 -5.071 0.470 1.00 0.00 C ATOM 924 O ILE A 62 6.434 -5.256 -0.235 1.00 0.00 O ATOM 925 CB ILE A 62 6.584 -4.299 2.689 1.00 0.00 C ATOM 926 CG1 ILE A 62 6.667 -3.210 3.760 1.00 0.00 C ATOM 927 CG2 ILE A 62 7.006 -5.645 3.260 1.00 0.00 C ATOM 928 CD1 ILE A 62 5.627 -3.353 4.850 1.00 0.00 C ATOM 0 H ILE A 62 6.082 -2.686 0.511 1.00 0.00 H new ATOM 0 HA ILE A 62 8.489 -3.783 1.821 1.00 0.00 H new ATOM 0 HB ILE A 62 5.549 -4.376 2.356 1.00 0.00 H new ATOM 0 HG12 ILE A 62 7.659 -3.230 4.211 1.00 0.00 H new ATOM 0 HG13 ILE A 62 6.552 -2.236 3.285 1.00 0.00 H new ATOM 0 HG21 ILE A 62 6.375 -5.892 4.113 1.00 0.00 H new ATOM 0 HG22 ILE A 62 6.900 -6.414 2.495 1.00 0.00 H new ATOM 0 HG23 ILE A 62 8.046 -5.594 3.581 1.00 0.00 H new ATOM 0 HD11 ILE A 62 5.746 -2.547 5.574 1.00 0.00 H new ATOM 0 HD12 ILE A 62 4.631 -3.303 4.411 1.00 0.00 H new ATOM 0 HD13 ILE A 62 5.755 -4.313 5.351 1.00 0.00 H new ATOM 940 N CYS A 63 8.512 -5.834 0.407 1.00 0.00 N ATOM 941 CA CYS A 63 8.603 -6.959 -0.517 1.00 0.00 C ATOM 942 C CYS A 63 8.449 -8.284 0.223 1.00 0.00 C ATOM 943 O CYS A 63 9.171 -8.558 1.181 1.00 0.00 O ATOM 944 CB CYS A 63 9.939 -6.929 -1.260 1.00 0.00 C ATOM 945 SG CYS A 63 9.897 -7.719 -2.886 1.00 0.00 S ATOM 0 H CYS A 63 9.341 -5.694 0.984 1.00 0.00 H new ATOM 0 HA CYS A 63 7.792 -6.870 -1.239 1.00 0.00 H new ATOM 0 HB2 CYS A 63 10.253 -5.892 -1.380 1.00 0.00 H new ATOM 0 HB3 CYS A 63 10.694 -7.422 -0.648 1.00 0.00 H new ATOM 0 HG CYS A 63 10.417 -6.920 -3.770 1.00 0.00 H new ATOM 951 N GLN A 64 7.502 -9.100 -0.227 1.00 0.00 N ATOM 952 CA GLN A 64 7.251 -10.395 0.394 1.00 0.00 C ATOM 953 C GLN A 64 6.458 -11.304 -0.540 1.00 0.00 C ATOM 954 O GLN A 64 5.414 -10.913 -1.062 1.00 0.00 O ATOM 955 CB GLN A 64 6.496 -10.215 1.712 1.00 0.00 C ATOM 956 CG GLN A 64 6.236 -11.519 2.448 1.00 0.00 C ATOM 957 CD GLN A 64 6.158 -11.336 3.951 1.00 0.00 C ATOM 958 OE1 GLN A 64 5.070 -11.249 4.522 1.00 0.00 O ATOM 959 NE2 GLN A 64 7.314 -11.277 4.601 1.00 0.00 N ATOM 0 H GLN A 64 6.896 -8.888 -1.019 1.00 0.00 H new ATOM 0 HA GLN A 64 8.214 -10.864 0.596 1.00 0.00 H new ATOM 0 HB2 GLN A 64 7.067 -9.550 2.360 1.00 0.00 H new ATOM 0 HB3 GLN A 64 5.543 -9.725 1.511 1.00 0.00 H new ATOM 0 HG2 GLN A 64 5.303 -11.954 2.090 1.00 0.00 H new ATOM 0 HG3 GLN A 64 7.029 -12.229 2.213 1.00 0.00 H new ATOM 0 HE21 GLN A 64 8.192 -11.354 4.088 1.00 0.00 H new ATOM 0 HE22 GLN A 64 7.324 -11.155 5.614 1.00 0.00 H new ATOM 968 N ASP A 65 6.961 -12.516 -0.746 1.00 0.00 N ATOM 969 CA ASP A 65 6.299 -13.480 -1.617 1.00 0.00 C ATOM 970 C ASP A 65 6.118 -12.910 -3.020 1.00 0.00 C ATOM 971 O ASP A 65 5.120 -13.183 -3.688 1.00 0.00 O ATOM 972 CB ASP A 65 4.942 -13.877 -1.035 1.00 0.00 C ATOM 973 CG ASP A 65 5.038 -15.070 -0.104 1.00 0.00 C ATOM 974 OD1 ASP A 65 5.349 -14.868 1.088 1.00 0.00 O ATOM 975 OD2 ASP A 65 4.803 -16.206 -0.568 1.00 0.00 O ATOM 0 H ASP A 65 7.825 -12.854 -0.322 1.00 0.00 H new ATOM 0 HA ASP A 65 6.930 -14.366 -1.683 1.00 0.00 H new ATOM 0 HB2 ASP A 65 4.520 -13.030 -0.493 1.00 0.00 H new ATOM 0 HB3 ASP A 65 4.255 -14.109 -1.849 1.00 0.00 H new ATOM 980 N ARG A 66 7.088 -12.115 -3.461 1.00 0.00 N ATOM 981 CA ARG A 66 7.034 -11.504 -4.783 1.00 0.00 C ATOM 982 C ARG A 66 5.907 -10.479 -4.863 1.00 0.00 C ATOM 983 O ARG A 66 5.352 -10.234 -5.935 1.00 0.00 O ATOM 984 CB ARG A 66 6.839 -12.577 -5.856 1.00 0.00 C ATOM 985 CG ARG A 66 7.839 -13.718 -5.765 1.00 0.00 C ATOM 986 CD ARG A 66 9.192 -13.320 -6.333 1.00 0.00 C ATOM 987 NE ARG A 66 9.904 -14.462 -6.902 1.00 0.00 N ATOM 988 CZ ARG A 66 11.197 -14.444 -7.205 1.00 0.00 C ATOM 989 NH1 ARG A 66 11.916 -13.350 -6.994 1.00 0.00 N ATOM 990 NH2 ARG A 66 11.774 -15.523 -7.719 1.00 0.00 N ATOM 0 H ARG A 66 7.921 -11.879 -2.921 1.00 0.00 H new ATOM 0 HA ARG A 66 7.980 -10.992 -4.958 1.00 0.00 H new ATOM 0 HB2 ARG A 66 5.830 -12.982 -5.774 1.00 0.00 H new ATOM 0 HB3 ARG A 66 6.918 -12.114 -6.840 1.00 0.00 H new ATOM 0 HG2 ARG A 66 7.955 -14.020 -4.724 1.00 0.00 H new ATOM 0 HG3 ARG A 66 7.456 -14.583 -6.307 1.00 0.00 H new ATOM 0 HD2 ARG A 66 9.053 -12.560 -7.102 1.00 0.00 H new ATOM 0 HD3 ARG A 66 9.798 -12.871 -5.546 1.00 0.00 H new ATOM 0 HE ARG A 66 9.380 -15.319 -7.076 1.00 0.00 H new ATOM 0 HH11 ARG A 66 11.476 -12.519 -6.598 1.00 0.00 H new ATOM 0 HH12 ARG A 66 12.909 -13.339 -7.228 1.00 0.00 H new ATOM 0 HH21 ARG A 66 11.224 -16.367 -7.882 1.00 0.00 H new ATOM 0 HH22 ARG A 66 12.767 -15.508 -7.951 1.00 0.00 H new ATOM 1004 N ILE A 67 5.573 -9.885 -3.723 1.00 0.00 N ATOM 1005 CA ILE A 67 4.512 -8.886 -3.664 1.00 0.00 C ATOM 1006 C ILE A 67 5.024 -7.574 -3.079 1.00 0.00 C ATOM 1007 O ILE A 67 5.730 -7.566 -2.070 1.00 0.00 O ATOM 1008 CB ILE A 67 3.320 -9.380 -2.824 1.00 0.00 C ATOM 1009 CG1 ILE A 67 3.006 -10.840 -3.154 1.00 0.00 C ATOM 1010 CG2 ILE A 67 2.101 -8.502 -3.067 1.00 0.00 C ATOM 1011 CD1 ILE A 67 2.277 -11.020 -4.467 1.00 0.00 C ATOM 0 H ILE A 67 6.021 -10.078 -2.827 1.00 0.00 H new ATOM 0 HA ILE A 67 4.179 -8.718 -4.688 1.00 0.00 H new ATOM 0 HB ILE A 67 3.586 -9.315 -1.769 1.00 0.00 H new ATOM 0 HG12 ILE A 67 3.937 -11.405 -3.184 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.402 -11.264 -2.352 1.00 0.00 H new ATOM 0 HG21 ILE A 67 1.266 -8.864 -2.466 1.00 0.00 H new ATOM 0 HG22 ILE A 67 2.331 -7.474 -2.787 1.00 0.00 H new ATOM 0 HG23 ILE A 67 1.831 -8.538 -4.122 1.00 0.00 H new ATOM 0 HD11 ILE A 67 2.088 -12.080 -4.636 1.00 0.00 H new ATOM 0 HD12 ILE A 67 1.329 -10.483 -4.434 1.00 0.00 H new ATOM 0 HD13 ILE A 67 2.888 -10.627 -5.279 1.00 0.00 H new ATOM 1023 N VAL A 68 4.662 -6.466 -3.718 1.00 0.00 N ATOM 1024 CA VAL A 68 5.082 -5.148 -3.259 1.00 0.00 C ATOM 1025 C VAL A 68 3.901 -4.355 -2.711 1.00 0.00 C ATOM 1026 O VAL A 68 2.863 -4.236 -3.362 1.00 0.00 O ATOM 1027 CB VAL A 68 5.744 -4.343 -4.394 1.00 0.00 C ATOM 1028 CG1 VAL A 68 6.160 -2.966 -3.900 1.00 0.00 C ATOM 1029 CG2 VAL A 68 6.937 -5.100 -4.957 1.00 0.00 C ATOM 0 H VAL A 68 4.079 -6.455 -4.555 1.00 0.00 H new ATOM 0 HA VAL A 68 5.810 -5.307 -2.463 1.00 0.00 H new ATOM 0 HB VAL A 68 5.016 -4.210 -5.195 1.00 0.00 H new ATOM 0 HG11 VAL A 68 6.626 -2.412 -4.715 1.00 0.00 H new ATOM 0 HG12 VAL A 68 5.281 -2.425 -3.549 1.00 0.00 H new ATOM 0 HG13 VAL A 68 6.872 -3.073 -3.081 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.393 -4.517 -5.758 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.669 -5.265 -4.166 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.605 -6.061 -5.351 1.00 0.00 H new ATOM 1039 N TYR A 69 4.066 -3.813 -1.509 1.00 0.00 N ATOM 1040 CA TYR A 69 3.013 -3.033 -0.871 1.00 0.00 C ATOM 1041 C TYR A 69 3.456 -1.588 -0.663 1.00 0.00 C ATOM 1042 O TYR A 69 4.150 -1.272 0.304 1.00 0.00 O ATOM 1043 CB TYR A 69 2.627 -3.658 0.471 1.00 0.00 C ATOM 1044 CG TYR A 69 2.288 -5.129 0.378 1.00 0.00 C ATOM 1045 CD1 TYR A 69 3.274 -6.075 0.127 1.00 0.00 C ATOM 1046 CD2 TYR A 69 0.982 -5.572 0.541 1.00 0.00 C ATOM 1047 CE1 TYR A 69 2.969 -7.419 0.040 1.00 0.00 C ATOM 1048 CE2 TYR A 69 0.668 -6.915 0.459 1.00 0.00 C ATOM 1049 CZ TYR A 69 1.664 -7.834 0.208 1.00 0.00 C ATOM 1050 OH TYR A 69 1.355 -9.173 0.123 1.00 0.00 O ATOM 0 H TYR A 69 4.919 -3.900 -0.957 1.00 0.00 H new ATOM 0 HA TYR A 69 2.144 -3.037 -1.529 1.00 0.00 H new ATOM 0 HB2 TYR A 69 3.450 -3.527 1.174 1.00 0.00 H new ATOM 0 HB3 TYR A 69 1.771 -3.121 0.879 1.00 0.00 H new ATOM 0 HD1 TYR A 69 4.297 -5.754 -0.002 1.00 0.00 H new ATOM 0 HD2 TYR A 69 0.198 -4.855 0.735 1.00 0.00 H new ATOM 0 HE1 TYR A 69 3.747 -8.141 -0.158 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -0.353 -7.243 0.591 1.00 0.00 H new ATOM 0 HH TYR A 69 0.393 -9.297 0.266 1.00 0.00 H new ATOM 1060 N LEU A 70 3.049 -0.714 -1.577 1.00 0.00 N ATOM 1061 CA LEU A 70 3.402 0.699 -1.495 1.00 0.00 C ATOM 1062 C LEU A 70 2.252 1.515 -0.911 1.00 0.00 C ATOM 1063 O LEU A 70 1.082 1.211 -1.145 1.00 0.00 O ATOM 1064 CB LEU A 70 3.770 1.234 -2.880 1.00 0.00 C ATOM 1065 CG LEU A 70 4.451 2.603 -2.911 1.00 0.00 C ATOM 1066 CD1 LEU A 70 5.382 2.708 -4.109 1.00 0.00 C ATOM 1067 CD2 LEU A 70 3.412 3.715 -2.942 1.00 0.00 C ATOM 0 H LEU A 70 2.474 -0.959 -2.383 1.00 0.00 H new ATOM 0 HA LEU A 70 4.264 0.795 -0.834 1.00 0.00 H new ATOM 0 HB2 LEU A 70 4.428 0.512 -3.363 1.00 0.00 H new ATOM 0 HB3 LEU A 70 2.861 1.289 -3.480 1.00 0.00 H new ATOM 0 HG LEU A 70 5.045 2.713 -2.004 1.00 0.00 H new ATOM 0 HD11 LEU A 70 5.858 3.689 -4.115 1.00 0.00 H new ATOM 0 HD12 LEU A 70 6.147 1.934 -4.044 1.00 0.00 H new ATOM 0 HD13 LEU A 70 4.810 2.577 -5.027 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.915 4.682 -2.964 1.00 0.00 H new ATOM 0 HD22 LEU A 70 2.791 3.608 -3.832 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.785 3.652 -2.053 1.00 0.00 H new ATOM 1079 N CYS A 71 2.594 2.551 -0.154 1.00 0.00 N ATOM 1080 CA CYS A 71 1.590 3.412 0.462 1.00 0.00 C ATOM 1081 C CYS A 71 2.152 4.807 0.716 1.00 0.00 C ATOM 1082 O CYS A 71 3.282 4.956 1.181 1.00 0.00 O ATOM 1083 CB CYS A 71 1.099 2.800 1.775 1.00 0.00 C ATOM 1084 SG CYS A 71 2.391 2.601 3.025 1.00 0.00 S ATOM 0 H CYS A 71 3.558 2.816 0.048 1.00 0.00 H new ATOM 0 HA CYS A 71 0.750 3.498 -0.227 1.00 0.00 H new ATOM 0 HB2 CYS A 71 0.307 3.429 2.183 1.00 0.00 H new ATOM 0 HB3 CYS A 71 0.657 1.826 1.566 1.00 0.00 H new ATOM 0 HG CYS A 71 3.320 3.490 2.835 1.00 0.00 H new ATOM 1090 N ILE A 72 1.356 5.825 0.406 1.00 0.00 N ATOM 1091 CA ILE A 72 1.775 7.207 0.600 1.00 0.00 C ATOM 1092 C ILE A 72 1.265 7.755 1.928 1.00 0.00 C ATOM 1093 O ILE A 72 0.087 7.616 2.259 1.00 0.00 O ATOM 1094 CB ILE A 72 1.274 8.112 -0.542 1.00 0.00 C ATOM 1095 CG1 ILE A 72 2.095 7.871 -1.810 1.00 0.00 C ATOM 1096 CG2 ILE A 72 1.346 9.575 -0.128 1.00 0.00 C ATOM 1097 CD1 ILE A 72 1.527 6.787 -2.700 1.00 0.00 C ATOM 0 H ILE A 72 0.418 5.718 0.020 1.00 0.00 H new ATOM 0 HA ILE A 72 2.865 7.209 0.604 1.00 0.00 H new ATOM 0 HB ILE A 72 0.234 7.865 -0.753 1.00 0.00 H new ATOM 0 HG12 ILE A 72 2.155 8.800 -2.376 1.00 0.00 H new ATOM 0 HG13 ILE A 72 3.113 7.602 -1.528 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.989 10.202 -0.945 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.723 9.735 0.752 1.00 0.00 H new ATOM 0 HG23 ILE A 72 2.378 9.837 0.106 1.00 0.00 H new ATOM 0 HD11 ILE A 72 2.160 6.670 -3.580 1.00 0.00 H new ATOM 0 HD12 ILE A 72 1.492 5.846 -2.151 1.00 0.00 H new ATOM 0 HD13 ILE A 72 0.520 7.063 -3.012 1.00 0.00 H new ATOM 1109 N THR A 73 2.160 8.380 2.687 1.00 0.00 N ATOM 1110 CA THR A 73 1.802 8.949 3.980 1.00 0.00 C ATOM 1111 C THR A 73 2.472 10.302 4.190 1.00 0.00 C ATOM 1112 O THR A 73 3.397 10.667 3.463 1.00 0.00 O ATOM 1113 CB THR A 73 2.194 8.010 5.136 1.00 0.00 C ATOM 1114 OG1 THR A 73 3.613 7.817 5.151 1.00 0.00 O ATOM 1115 CG2 THR A 73 1.496 6.665 5.002 1.00 0.00 C ATOM 0 H THR A 73 3.139 8.505 2.428 1.00 0.00 H new ATOM 0 HA THR A 73 0.720 9.079 3.979 1.00 0.00 H new ATOM 0 HB THR A 73 1.880 8.472 6.072 1.00 0.00 H new ATOM 0 HG1 THR A 73 3.854 7.220 5.890 1.00 0.00 H new ATOM 0 HG21 THR A 73 1.789 6.019 5.830 1.00 0.00 H new ATOM 0 HG22 THR A 73 0.416 6.812 5.021 1.00 0.00 H new ATOM 0 HG23 THR A 73 1.782 6.199 4.059 1.00 0.00 H new ATOM 1123 N ASP A 74 2.000 11.042 5.187 1.00 0.00 N ATOM 1124 CA ASP A 74 2.556 12.355 5.493 1.00 0.00 C ATOM 1125 C ASP A 74 3.936 12.227 6.130 1.00 0.00 C ATOM 1126 O ASP A 74 4.207 11.274 6.861 1.00 0.00 O ATOM 1127 CB ASP A 74 1.619 13.124 6.427 1.00 0.00 C ATOM 1128 CG ASP A 74 1.974 14.594 6.522 1.00 0.00 C ATOM 1129 OD1 ASP A 74 3.120 14.904 6.909 1.00 0.00 O ATOM 1130 OD2 ASP A 74 1.106 15.436 6.209 1.00 0.00 O ATOM 0 H ASP A 74 1.234 10.755 5.797 1.00 0.00 H new ATOM 0 HA ASP A 74 2.658 12.906 4.558 1.00 0.00 H new ATOM 0 HB2 ASP A 74 0.594 13.023 6.071 1.00 0.00 H new ATOM 0 HB3 ASP A 74 1.657 12.679 7.421 1.00 0.00 H new ATOM 1135 N ASP A 75 4.805 13.190 5.845 1.00 0.00 N ATOM 1136 CA ASP A 75 6.158 13.185 6.390 1.00 0.00 C ATOM 1137 C ASP A 75 6.134 13.005 7.904 1.00 0.00 C ATOM 1138 O ASP A 75 6.776 12.102 8.442 1.00 0.00 O ATOM 1139 CB ASP A 75 6.881 14.484 6.030 1.00 0.00 C ATOM 1140 CG ASP A 75 6.226 15.702 6.650 1.00 0.00 C ATOM 1141 OD1 ASP A 75 5.205 16.169 6.104 1.00 0.00 O ATOM 1142 OD2 ASP A 75 6.734 16.188 7.682 1.00 0.00 O ATOM 0 H ASP A 75 4.597 13.984 5.240 1.00 0.00 H new ATOM 0 HA ASP A 75 6.696 12.345 5.951 1.00 0.00 H new ATOM 0 HB2 ASP A 75 7.917 14.424 6.362 1.00 0.00 H new ATOM 0 HB3 ASP A 75 6.900 14.597 4.946 1.00 0.00 H new ATOM 1147 N ASP A 76 5.390 13.869 8.586 1.00 0.00 N ATOM 1148 CA ASP A 76 5.282 13.806 10.038 1.00 0.00 C ATOM 1149 C ASP A 76 4.916 12.397 10.495 1.00 0.00 C ATOM 1150 O ASP A 76 5.332 11.952 11.565 1.00 0.00 O ATOM 1151 CB ASP A 76 4.236 14.804 10.537 1.00 0.00 C ATOM 1152 CG ASP A 76 2.825 14.257 10.451 1.00 0.00 C ATOM 1153 OD1 ASP A 76 2.303 14.138 9.323 1.00 0.00 O ATOM 1154 OD2 ASP A 76 2.242 13.948 11.512 1.00 0.00 O ATOM 0 H ASP A 76 4.853 14.622 8.156 1.00 0.00 H new ATOM 0 HA ASP A 76 6.252 14.066 10.461 1.00 0.00 H new ATOM 0 HB2 ASP A 76 4.457 15.070 11.571 1.00 0.00 H new ATOM 0 HB3 ASP A 76 4.304 15.720 9.950 1.00 0.00 H new ATOM 1159 N PHE A 77 4.134 11.699 9.678 1.00 0.00 N ATOM 1160 CA PHE A 77 3.711 10.341 9.998 1.00 0.00 C ATOM 1161 C PHE A 77 4.876 9.523 10.547 1.00 0.00 C ATOM 1162 O PHE A 77 6.017 9.682 10.113 1.00 0.00 O ATOM 1163 CB PHE A 77 3.132 9.658 8.757 1.00 0.00 C ATOM 1164 CG PHE A 77 2.184 8.539 9.077 1.00 0.00 C ATOM 1165 CD1 PHE A 77 1.006 8.785 9.764 1.00 0.00 C ATOM 1166 CD2 PHE A 77 2.470 7.239 8.691 1.00 0.00 C ATOM 1167 CE1 PHE A 77 0.130 7.757 10.059 1.00 0.00 C ATOM 1168 CE2 PHE A 77 1.598 6.207 8.982 1.00 0.00 C ATOM 1169 CZ PHE A 77 0.427 6.466 9.669 1.00 0.00 C ATOM 0 H PHE A 77 3.780 12.052 8.789 1.00 0.00 H new ATOM 0 HA PHE A 77 2.939 10.399 10.765 1.00 0.00 H new ATOM 0 HB2 PHE A 77 2.613 10.401 8.152 1.00 0.00 H new ATOM 0 HB3 PHE A 77 3.950 9.268 8.151 1.00 0.00 H new ATOM 0 HD1 PHE A 77 0.769 9.792 10.073 1.00 0.00 H new ATOM 0 HD2 PHE A 77 3.385 7.030 8.157 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -0.785 7.963 10.594 1.00 0.00 H new ATOM 0 HE2 PHE A 77 1.831 5.199 8.673 1.00 0.00 H new ATOM 0 HZ PHE A 77 -0.254 5.661 9.900 1.00 0.00 H new ATOM 1179 N GLU A 78 4.579 8.649 11.503 1.00 0.00 N ATOM 1180 CA GLU A 78 5.603 7.807 12.111 1.00 0.00 C ATOM 1181 C GLU A 78 5.948 6.629 11.205 1.00 0.00 C ATOM 1182 O GLU A 78 5.061 5.967 10.665 1.00 0.00 O ATOM 1183 CB GLU A 78 5.130 7.295 13.473 1.00 0.00 C ATOM 1184 CG GLU A 78 6.265 6.969 14.429 1.00 0.00 C ATOM 1185 CD GLU A 78 5.788 6.762 15.854 1.00 0.00 C ATOM 1186 OE1 GLU A 78 4.698 7.267 16.194 1.00 0.00 O ATOM 1187 OE2 GLU A 78 6.505 6.095 16.628 1.00 0.00 O ATOM 0 H GLU A 78 3.639 8.505 11.873 1.00 0.00 H new ATOM 0 HA GLU A 78 6.499 8.412 12.249 1.00 0.00 H new ATOM 0 HB2 GLU A 78 4.486 8.046 13.930 1.00 0.00 H new ATOM 0 HB3 GLU A 78 4.523 6.402 13.325 1.00 0.00 H new ATOM 0 HG2 GLU A 78 6.776 6.069 14.087 1.00 0.00 H new ATOM 0 HG3 GLU A 78 6.996 7.778 14.408 1.00 0.00 H new ATOM 1194 N ARG A 79 7.242 6.374 11.042 1.00 0.00 N ATOM 1195 CA ARG A 79 7.705 5.278 10.200 1.00 0.00 C ATOM 1196 C ARG A 79 7.107 3.951 10.658 1.00 0.00 C ATOM 1197 O ARG A 79 6.608 3.171 9.847 1.00 0.00 O ATOM 1198 CB ARG A 79 9.233 5.197 10.226 1.00 0.00 C ATOM 1199 CG ARG A 79 9.910 6.183 9.289 1.00 0.00 C ATOM 1200 CD ARG A 79 10.126 5.583 7.909 1.00 0.00 C ATOM 1201 NE ARG A 79 11.338 4.770 7.848 1.00 0.00 N ATOM 1202 CZ ARG A 79 12.565 5.274 7.921 1.00 0.00 C ATOM 1203 NH1 ARG A 79 12.741 6.581 8.057 1.00 0.00 N ATOM 1204 NH2 ARG A 79 13.618 4.470 7.859 1.00 0.00 N ATOM 0 H ARG A 79 7.989 6.912 11.482 1.00 0.00 H new ATOM 0 HA ARG A 79 7.375 5.473 9.179 1.00 0.00 H new ATOM 0 HB2 ARG A 79 9.581 5.378 11.243 1.00 0.00 H new ATOM 0 HB3 ARG A 79 9.540 4.186 9.959 1.00 0.00 H new ATOM 0 HG2 ARG A 79 9.301 7.083 9.204 1.00 0.00 H new ATOM 0 HG3 ARG A 79 10.869 6.486 9.709 1.00 0.00 H new ATOM 0 HD2 ARG A 79 9.265 4.970 7.641 1.00 0.00 H new ATOM 0 HD3 ARG A 79 10.189 6.383 7.172 1.00 0.00 H new ATOM 0 HE ARG A 79 11.237 3.760 7.744 1.00 0.00 H new ATOM 0 HH11 ARG A 79 11.933 7.202 8.106 1.00 0.00 H new ATOM 0 HH12 ARG A 79 13.684 6.966 8.113 1.00 0.00 H new ATOM 0 HH21 ARG A 79 13.486 3.464 7.755 1.00 0.00 H new ATOM 0 HH22 ARG A 79 14.560 4.858 7.915 1.00 0.00 H new ATOM 1218 N SER A 80 7.163 3.701 11.962 1.00 0.00 N ATOM 1219 CA SER A 80 6.631 2.467 12.528 1.00 0.00 C ATOM 1220 C SER A 80 5.162 2.286 12.154 1.00 0.00 C ATOM 1221 O SER A 80 4.750 1.213 11.713 1.00 0.00 O ATOM 1222 CB SER A 80 6.784 2.470 14.050 1.00 0.00 C ATOM 1223 OG SER A 80 6.235 1.295 14.620 1.00 0.00 O ATOM 0 H SER A 80 7.572 4.337 12.647 1.00 0.00 H new ATOM 0 HA SER A 80 7.199 1.634 12.115 1.00 0.00 H new ATOM 0 HB2 SER A 80 7.839 2.546 14.312 1.00 0.00 H new ATOM 0 HB3 SER A 80 6.288 3.346 14.467 1.00 0.00 H new ATOM 0 HG SER A 80 6.347 1.321 15.593 1.00 0.00 H new ATOM 1229 N ARG A 81 4.378 3.344 12.333 1.00 0.00 N ATOM 1230 CA ARG A 81 2.956 3.304 12.016 1.00 0.00 C ATOM 1231 C ARG A 81 2.731 2.810 10.590 1.00 0.00 C ATOM 1232 O ARG A 81 2.042 1.814 10.369 1.00 0.00 O ATOM 1233 CB ARG A 81 2.333 4.690 12.192 1.00 0.00 C ATOM 1234 CG ARG A 81 2.381 5.202 13.622 1.00 0.00 C ATOM 1235 CD ARG A 81 1.301 4.562 14.480 1.00 0.00 C ATOM 1236 NE ARG A 81 0.970 5.380 15.644 1.00 0.00 N ATOM 1237 CZ ARG A 81 0.200 6.461 15.589 1.00 0.00 C ATOM 1238 NH1 ARG A 81 -0.316 6.852 14.432 1.00 0.00 N ATOM 1239 NH2 ARG A 81 -0.055 7.153 16.692 1.00 0.00 N ATOM 0 H ARG A 81 4.704 4.240 12.696 1.00 0.00 H new ATOM 0 HA ARG A 81 2.475 2.608 12.703 1.00 0.00 H new ATOM 0 HB2 ARG A 81 2.851 5.397 11.544 1.00 0.00 H new ATOM 0 HB3 ARG A 81 1.295 4.657 11.861 1.00 0.00 H new ATOM 0 HG2 ARG A 81 3.360 4.992 14.052 1.00 0.00 H new ATOM 0 HG3 ARG A 81 2.256 6.285 13.626 1.00 0.00 H new ATOM 0 HD2 ARG A 81 0.405 4.407 13.879 1.00 0.00 H new ATOM 0 HD3 ARG A 81 1.636 3.579 14.811 1.00 0.00 H new ATOM 0 HE ARG A 81 1.351 5.106 16.549 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -0.122 6.322 13.582 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -0.907 7.682 14.392 1.00 0.00 H new ATOM 0 HH21 ARG A 81 0.340 6.855 17.584 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -0.646 7.983 16.648 1.00 0.00 H new ATOM 1253 N ALA A 82 3.315 3.514 9.627 1.00 0.00 N ATOM 1254 CA ALA A 82 3.179 3.147 8.223 1.00 0.00 C ATOM 1255 C ALA A 82 3.445 1.659 8.016 1.00 0.00 C ATOM 1256 O ALA A 82 2.578 0.923 7.545 1.00 0.00 O ATOM 1257 CB ALA A 82 4.123 3.978 7.366 1.00 0.00 C ATOM 0 H ALA A 82 3.887 4.342 9.793 1.00 0.00 H new ATOM 0 HA ALA A 82 2.153 3.352 7.917 1.00 0.00 H new ATOM 0 HB1 ALA A 82 4.011 3.693 6.320 1.00 0.00 H new ATOM 0 HB2 ALA A 82 3.884 5.035 7.482 1.00 0.00 H new ATOM 0 HB3 ALA A 82 5.151 3.802 7.682 1.00 0.00 H new ATOM 1263 N PHE A 83 4.649 1.224 8.370 1.00 0.00 N ATOM 1264 CA PHE A 83 5.030 -0.176 8.222 1.00 0.00 C ATOM 1265 C PHE A 83 4.012 -1.091 8.896 1.00 0.00 C ATOM 1266 O PHE A 83 3.678 -2.155 8.377 1.00 0.00 O ATOM 1267 CB PHE A 83 6.419 -0.415 8.818 1.00 0.00 C ATOM 1268 CG PHE A 83 7.541 -0.021 7.899 1.00 0.00 C ATOM 1269 CD1 PHE A 83 7.621 -0.544 6.618 1.00 0.00 C ATOM 1270 CD2 PHE A 83 8.514 0.872 8.316 1.00 0.00 C ATOM 1271 CE1 PHE A 83 8.652 -0.184 5.772 1.00 0.00 C ATOM 1272 CE2 PHE A 83 9.548 1.236 7.473 1.00 0.00 C ATOM 1273 CZ PHE A 83 9.616 0.707 6.199 1.00 0.00 C ATOM 0 H PHE A 83 5.378 1.820 8.761 1.00 0.00 H new ATOM 0 HA PHE A 83 5.054 -0.409 7.157 1.00 0.00 H new ATOM 0 HB2 PHE A 83 6.508 0.146 9.748 1.00 0.00 H new ATOM 0 HB3 PHE A 83 6.521 -1.470 9.071 1.00 0.00 H new ATOM 0 HD1 PHE A 83 6.869 -1.241 6.278 1.00 0.00 H new ATOM 0 HD2 PHE A 83 8.465 1.289 9.311 1.00 0.00 H new ATOM 0 HE1 PHE A 83 8.704 -0.600 4.777 1.00 0.00 H new ATOM 0 HE2 PHE A 83 10.301 1.933 7.810 1.00 0.00 H new ATOM 0 HZ PHE A 83 10.422 0.990 5.538 1.00 0.00 H new ATOM 1283 N ASN A 84 3.522 -0.668 10.057 1.00 0.00 N ATOM 1284 CA ASN A 84 2.542 -1.449 10.803 1.00 0.00 C ATOM 1285 C ASN A 84 1.323 -1.760 9.941 1.00 0.00 C ATOM 1286 O ASN A 84 1.040 -2.920 9.642 1.00 0.00 O ATOM 1287 CB ASN A 84 2.111 -0.695 12.063 1.00 0.00 C ATOM 1288 CG ASN A 84 1.479 -1.608 13.096 1.00 0.00 C ATOM 1289 OD1 ASN A 84 2.149 -2.083 14.013 1.00 0.00 O ATOM 1290 ND2 ASN A 84 0.184 -1.859 12.950 1.00 0.00 N ATOM 0 H ASN A 84 3.787 0.211 10.501 1.00 0.00 H new ATOM 0 HA ASN A 84 3.009 -2.390 11.092 1.00 0.00 H new ATOM 0 HB2 ASN A 84 2.978 -0.200 12.501 1.00 0.00 H new ATOM 0 HB3 ASN A 84 1.402 0.087 11.791 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -0.295 -2.468 13.613 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -0.332 -1.443 12.174 1.00 0.00 H new ATOM 1297 N PHE A 85 0.604 -0.715 9.543 1.00 0.00 N ATOM 1298 CA PHE A 85 -0.585 -0.876 8.715 1.00 0.00 C ATOM 1299 C PHE A 85 -0.317 -1.833 7.557 1.00 0.00 C ATOM 1300 O PHE A 85 -1.035 -2.815 7.368 1.00 0.00 O ATOM 1301 CB PHE A 85 -1.044 0.480 8.175 1.00 0.00 C ATOM 1302 CG PHE A 85 -1.961 0.375 6.991 1.00 0.00 C ATOM 1303 CD1 PHE A 85 -3.326 0.210 7.167 1.00 0.00 C ATOM 1304 CD2 PHE A 85 -1.459 0.440 5.701 1.00 0.00 C ATOM 1305 CE1 PHE A 85 -4.172 0.112 6.079 1.00 0.00 C ATOM 1306 CE2 PHE A 85 -2.301 0.343 4.609 1.00 0.00 C ATOM 1307 CZ PHE A 85 -3.659 0.180 4.798 1.00 0.00 C ATOM 0 H PHE A 85 0.824 0.252 9.781 1.00 0.00 H new ATOM 0 HA PHE A 85 -1.375 -1.298 9.336 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -1.552 1.026 8.970 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -0.168 1.066 7.895 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -3.733 0.157 8.166 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -0.398 0.568 5.547 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -5.234 -0.018 6.230 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -1.897 0.395 3.609 1.00 0.00 H new ATOM 0 HZ PHE A 85 -4.319 0.106 3.946 1.00 0.00 H new ATOM 1317 N LEU A 86 0.723 -1.538 6.784 1.00 0.00 N ATOM 1318 CA LEU A 86 1.088 -2.371 5.644 1.00 0.00 C ATOM 1319 C LEU A 86 1.241 -3.830 6.061 1.00 0.00 C ATOM 1320 O LEU A 86 0.756 -4.735 5.383 1.00 0.00 O ATOM 1321 CB LEU A 86 2.390 -1.869 5.016 1.00 0.00 C ATOM 1322 CG LEU A 86 2.288 -0.581 4.198 1.00 0.00 C ATOM 1323 CD1 LEU A 86 3.662 0.040 4.006 1.00 0.00 C ATOM 1324 CD2 LEU A 86 1.631 -0.855 2.853 1.00 0.00 C ATOM 0 H LEU A 86 1.328 -0.729 6.926 1.00 0.00 H new ATOM 0 HA LEU A 86 0.287 -2.305 4.907 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.118 -1.713 5.812 1.00 0.00 H new ATOM 0 HB3 LEU A 86 2.786 -2.654 4.372 1.00 0.00 H new ATOM 0 HG LEU A 86 1.666 0.127 4.746 1.00 0.00 H new ATOM 0 HD11 LEU A 86 3.569 0.955 3.422 1.00 0.00 H new ATOM 0 HD12 LEU A 86 4.095 0.273 4.979 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.308 -0.662 3.480 1.00 0.00 H new ATOM 0 HD21 LEU A 86 1.566 0.072 2.284 1.00 0.00 H new ATOM 0 HD22 LEU A 86 2.226 -1.580 2.298 1.00 0.00 H new ATOM 0 HD23 LEU A 86 0.629 -1.254 3.012 1.00 0.00 H new ATOM 1336 N ASN A 87 1.917 -4.051 7.184 1.00 0.00 N ATOM 1337 CA ASN A 87 2.133 -5.401 7.694 1.00 0.00 C ATOM 1338 C ASN A 87 0.803 -6.097 7.968 1.00 0.00 C ATOM 1339 O ASN A 87 0.644 -7.284 7.687 1.00 0.00 O ATOM 1340 CB ASN A 87 2.972 -5.357 8.972 1.00 0.00 C ATOM 1341 CG ASN A 87 4.462 -5.368 8.686 1.00 0.00 C ATOM 1342 OD1 ASN A 87 4.883 -5.377 7.529 1.00 0.00 O ATOM 1343 ND2 ASN A 87 5.267 -5.367 9.742 1.00 0.00 N ATOM 0 H ASN A 87 2.325 -3.313 7.758 1.00 0.00 H new ATOM 0 HA ASN A 87 2.670 -5.969 6.935 1.00 0.00 H new ATOM 0 HB2 ASN A 87 2.720 -4.460 9.538 1.00 0.00 H new ATOM 0 HB3 ASN A 87 2.719 -6.212 9.599 1.00 0.00 H new ATOM 0 HD21 ASN A 87 6.279 -5.374 9.612 1.00 0.00 H new ATOM 0 HD22 ASN A 87 4.874 -5.359 10.683 1.00 0.00 H new ATOM 1350 N GLU A 88 -0.148 -5.349 8.519 1.00 0.00 N ATOM 1351 CA GLU A 88 -1.463 -5.895 8.832 1.00 0.00 C ATOM 1352 C GLU A 88 -2.153 -6.408 7.571 1.00 0.00 C ATOM 1353 O GLU A 88 -2.375 -7.610 7.417 1.00 0.00 O ATOM 1354 CB GLU A 88 -2.334 -4.833 9.506 1.00 0.00 C ATOM 1355 CG GLU A 88 -1.944 -4.552 10.948 1.00 0.00 C ATOM 1356 CD GLU A 88 -2.776 -3.450 11.573 1.00 0.00 C ATOM 1357 OE1 GLU A 88 -3.958 -3.311 11.194 1.00 0.00 O ATOM 1358 OE2 GLU A 88 -2.246 -2.725 12.441 1.00 0.00 O ATOM 0 H GLU A 88 -0.032 -4.364 8.758 1.00 0.00 H new ATOM 0 HA GLU A 88 -1.327 -6.731 9.518 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -2.271 -3.907 8.934 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -3.375 -5.156 9.476 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -2.056 -5.464 11.535 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -0.891 -4.274 10.988 1.00 0.00 H new ATOM 1365 N ILE A 89 -2.491 -5.489 6.673 1.00 0.00 N ATOM 1366 CA ILE A 89 -3.154 -5.848 5.426 1.00 0.00 C ATOM 1367 C ILE A 89 -2.298 -6.805 4.603 1.00 0.00 C ATOM 1368 O ILE A 89 -2.817 -7.688 3.919 1.00 0.00 O ATOM 1369 CB ILE A 89 -3.472 -4.602 4.578 1.00 0.00 C ATOM 1370 CG1 ILE A 89 -2.198 -3.791 4.327 1.00 0.00 C ATOM 1371 CG2 ILE A 89 -4.524 -3.746 5.267 1.00 0.00 C ATOM 1372 CD1 ILE A 89 -2.415 -2.584 3.442 1.00 0.00 C ATOM 0 H ILE A 89 -2.317 -4.490 6.786 1.00 0.00 H new ATOM 0 HA ILE A 89 -4.088 -6.341 5.696 1.00 0.00 H new ATOM 0 HB ILE A 89 -3.870 -4.927 3.616 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -1.792 -3.462 5.284 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -1.450 -4.438 3.869 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -4.738 -2.870 4.655 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -5.436 -4.327 5.399 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -4.153 -3.427 6.241 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -1.470 -2.057 3.307 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -2.792 -2.907 2.472 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -3.139 -1.916 3.908 1.00 0.00 H new ATOM 1384 N LYS A 90 -0.984 -6.624 4.674 1.00 0.00 N ATOM 1385 CA LYS A 90 -0.054 -7.472 3.939 1.00 0.00 C ATOM 1386 C LYS A 90 -0.216 -8.934 4.342 1.00 0.00 C ATOM 1387 O LYS A 90 -0.330 -9.815 3.489 1.00 0.00 O ATOM 1388 CB LYS A 90 1.387 -7.020 4.187 1.00 0.00 C ATOM 1389 CG LYS A 90 2.428 -7.945 3.581 1.00 0.00 C ATOM 1390 CD LYS A 90 3.834 -7.561 4.013 1.00 0.00 C ATOM 1391 CE LYS A 90 4.205 -8.209 5.338 1.00 0.00 C ATOM 1392 NZ LYS A 90 5.593 -7.864 5.754 1.00 0.00 N ATOM 0 H LYS A 90 -0.539 -5.897 5.234 1.00 0.00 H new ATOM 0 HA LYS A 90 -0.279 -7.379 2.877 1.00 0.00 H new ATOM 0 HB2 LYS A 90 1.520 -6.019 3.777 1.00 0.00 H new ATOM 0 HB3 LYS A 90 1.557 -6.950 5.261 1.00 0.00 H new ATOM 0 HG2 LYS A 90 2.222 -8.972 3.881 1.00 0.00 H new ATOM 0 HG3 LYS A 90 2.358 -7.910 2.494 1.00 0.00 H new ATOM 0 HD2 LYS A 90 4.547 -7.864 3.246 1.00 0.00 H new ATOM 0 HD3 LYS A 90 3.905 -6.477 4.104 1.00 0.00 H new ATOM 0 HE2 LYS A 90 3.504 -7.887 6.108 1.00 0.00 H new ATOM 0 HE3 LYS A 90 4.110 -9.291 5.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 5.943 -8.579 6.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 6.210 -7.841 4.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 5.596 -6.931 6.213 1.00 0.00 H new ATOM 1406 N LYS A 91 -0.226 -9.186 5.646 1.00 0.00 N ATOM 1407 CA LYS A 91 -0.377 -10.541 6.164 1.00 0.00 C ATOM 1408 C LYS A 91 -1.781 -11.072 5.896 1.00 0.00 C ATOM 1409 O LYS A 91 -1.970 -12.267 5.665 1.00 0.00 O ATOM 1410 CB LYS A 91 -0.087 -10.570 7.666 1.00 0.00 C ATOM 1411 CG LYS A 91 1.385 -10.742 7.998 1.00 0.00 C ATOM 1412 CD LYS A 91 1.641 -10.597 9.489 1.00 0.00 C ATOM 1413 CE LYS A 91 3.123 -10.420 9.785 1.00 0.00 C ATOM 1414 NZ LYS A 91 3.351 -9.801 11.120 1.00 0.00 N ATOM 0 H LYS A 91 -0.131 -8.469 6.365 1.00 0.00 H new ATOM 0 HA LYS A 91 0.339 -11.182 5.650 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -0.446 -9.644 8.115 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -0.651 -11.384 8.121 1.00 0.00 H new ATOM 0 HG2 LYS A 91 1.722 -11.723 7.664 1.00 0.00 H new ATOM 0 HG3 LYS A 91 1.971 -10.001 7.454 1.00 0.00 H new ATOM 0 HD2 LYS A 91 1.087 -9.740 9.873 1.00 0.00 H new ATOM 0 HD3 LYS A 91 1.267 -11.478 10.011 1.00 0.00 H new ATOM 0 HE2 LYS A 91 3.620 -11.389 9.744 1.00 0.00 H new ATOM 0 HE3 LYS A 91 3.576 -9.797 9.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 4.373 -9.697 11.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 2.898 -8.865 11.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 2.941 -10.408 11.859 1.00 0.00 H new ATOM 1428 N ARG A 92 -2.764 -10.178 5.927 1.00 0.00 N ATOM 1429 CA ARG A 92 -4.151 -10.557 5.687 1.00 0.00 C ATOM 1430 C ARG A 92 -4.365 -10.940 4.225 1.00 0.00 C ATOM 1431 O ARG A 92 -5.240 -11.745 3.905 1.00 0.00 O ATOM 1432 CB ARG A 92 -5.089 -9.410 6.068 1.00 0.00 C ATOM 1433 CG ARG A 92 -5.519 -9.434 7.525 1.00 0.00 C ATOM 1434 CD ARG A 92 -6.865 -8.754 7.720 1.00 0.00 C ATOM 1435 NE ARG A 92 -7.521 -9.179 8.953 1.00 0.00 N ATOM 1436 CZ ARG A 92 -8.821 -9.034 9.183 1.00 0.00 C ATOM 1437 NH1 ARG A 92 -9.601 -8.476 8.267 1.00 0.00 N ATOM 1438 NH2 ARG A 92 -9.344 -9.446 10.330 1.00 0.00 N ATOM 0 H ARG A 92 -2.625 -9.185 6.116 1.00 0.00 H new ATOM 0 HA ARG A 92 -4.377 -11.423 6.308 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -4.593 -8.462 5.860 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -5.976 -9.452 5.435 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -5.578 -10.466 7.871 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -4.766 -8.935 8.136 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -6.725 -7.673 7.738 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -7.510 -8.978 6.871 1.00 0.00 H new ATOM 0 HE ARG A 92 -6.949 -9.611 9.678 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -9.203 -8.157 7.384 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -10.599 -8.366 8.446 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -8.748 -9.875 11.037 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -10.343 -9.334 10.505 1.00 0.00 H new ATOM 1452 N PHE A 93 -3.560 -10.357 3.343 1.00 0.00 N ATOM 1453 CA PHE A 93 -3.662 -10.636 1.915 1.00 0.00 C ATOM 1454 C PHE A 93 -2.992 -11.962 1.570 1.00 0.00 C ATOM 1455 O PHE A 93 -3.571 -12.801 0.881 1.00 0.00 O ATOM 1456 CB PHE A 93 -3.025 -9.504 1.106 1.00 0.00 C ATOM 1457 CG PHE A 93 -3.161 -9.678 -0.379 1.00 0.00 C ATOM 1458 CD1 PHE A 93 -4.285 -9.214 -1.044 1.00 0.00 C ATOM 1459 CD2 PHE A 93 -2.166 -10.306 -1.111 1.00 0.00 C ATOM 1460 CE1 PHE A 93 -4.413 -9.372 -2.412 1.00 0.00 C ATOM 1461 CE2 PHE A 93 -2.289 -10.467 -2.478 1.00 0.00 C ATOM 1462 CZ PHE A 93 -3.415 -10.001 -3.129 1.00 0.00 C ATOM 0 H PHE A 93 -2.830 -9.689 3.591 1.00 0.00 H new ATOM 0 HA PHE A 93 -4.719 -10.706 1.659 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -3.483 -8.559 1.396 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -1.967 -9.437 1.360 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -5.070 -8.723 -0.488 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -1.284 -10.674 -0.607 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -5.293 -9.004 -2.919 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -1.505 -10.957 -3.037 1.00 0.00 H new ATOM 0 HZ PHE A 93 -3.514 -10.129 -4.197 1.00 0.00 H new ATOM 1472 N GLN A 94 -1.767 -12.143 2.054 1.00 0.00 N ATOM 1473 CA GLN A 94 -1.017 -13.366 1.796 1.00 0.00 C ATOM 1474 C GLN A 94 -1.606 -14.540 2.573 1.00 0.00 C ATOM 1475 O GLN A 94 -1.394 -15.700 2.220 1.00 0.00 O ATOM 1476 CB GLN A 94 0.453 -13.177 2.172 1.00 0.00 C ATOM 1477 CG GLN A 94 0.689 -13.064 3.670 1.00 0.00 C ATOM 1478 CD GLN A 94 2.082 -12.571 4.006 1.00 0.00 C ATOM 1479 OE1 GLN A 94 2.958 -13.354 4.374 1.00 0.00 O ATOM 1480 NE2 GLN A 94 2.295 -11.266 3.881 1.00 0.00 N ATOM 0 H GLN A 94 -1.273 -11.458 2.627 1.00 0.00 H new ATOM 0 HA GLN A 94 -1.087 -13.587 0.731 1.00 0.00 H new ATOM 0 HB2 GLN A 94 1.029 -14.017 1.784 1.00 0.00 H new ATOM 0 HB3 GLN A 94 0.831 -12.279 1.684 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -0.046 -12.384 4.099 1.00 0.00 H new ATOM 0 HG3 GLN A 94 0.531 -14.038 4.133 1.00 0.00 H new ATOM 0 HE21 GLN A 94 1.540 -10.653 3.573 1.00 0.00 H new ATOM 0 HE22 GLN A 94 3.214 -10.877 4.093 1.00 0.00 H new ATOM 1489 N THR A 95 -2.346 -14.230 3.633 1.00 0.00 N ATOM 1490 CA THR A 95 -2.964 -15.258 4.460 1.00 0.00 C ATOM 1491 C THR A 95 -4.306 -15.694 3.884 1.00 0.00 C ATOM 1492 O THR A 95 -4.677 -16.866 3.963 1.00 0.00 O ATOM 1493 CB THR A 95 -3.174 -14.765 5.904 1.00 0.00 C ATOM 1494 OG1 THR A 95 -1.909 -14.588 6.551 1.00 0.00 O ATOM 1495 CG2 THR A 95 -4.019 -15.753 6.695 1.00 0.00 C ATOM 0 H THR A 95 -2.532 -13.275 3.939 1.00 0.00 H new ATOM 0 HA THR A 95 -2.282 -16.109 4.469 1.00 0.00 H new ATOM 0 HB THR A 95 -3.698 -13.810 5.865 1.00 0.00 H new ATOM 0 HG1 THR A 95 -1.677 -13.636 6.561 1.00 0.00 H new ATOM 0 HG21 THR A 95 -4.154 -15.384 7.712 1.00 0.00 H new ATOM 0 HG22 THR A 95 -4.992 -15.864 6.217 1.00 0.00 H new ATOM 0 HG23 THR A 95 -3.517 -16.720 6.724 1.00 0.00 H new ATOM 1503 N THR A 96 -5.033 -14.745 3.302 1.00 0.00 N ATOM 1504 CA THR A 96 -6.334 -15.031 2.713 1.00 0.00 C ATOM 1505 C THR A 96 -6.226 -15.215 1.203 1.00 0.00 C ATOM 1506 O THR A 96 -6.476 -16.301 0.681 1.00 0.00 O ATOM 1507 CB THR A 96 -7.345 -13.908 3.010 1.00 0.00 C ATOM 1508 OG1 THR A 96 -7.476 -13.729 4.425 1.00 0.00 O ATOM 1509 CG2 THR A 96 -8.704 -14.229 2.407 1.00 0.00 C ATOM 0 H THR A 96 -4.741 -13.770 3.226 1.00 0.00 H new ATOM 0 HA THR A 96 -6.688 -15.957 3.165 1.00 0.00 H new ATOM 0 HB THR A 96 -6.974 -12.987 2.560 1.00 0.00 H new ATOM 0 HG1 THR A 96 -6.840 -13.048 4.729 1.00 0.00 H new ATOM 0 HG21 THR A 96 -9.401 -13.421 2.630 1.00 0.00 H new ATOM 0 HG22 THR A 96 -8.607 -14.336 1.327 1.00 0.00 H new ATOM 0 HG23 THR A 96 -9.080 -15.160 2.831 1.00 0.00 H new ATOM 1517 N TYR A 97 -5.850 -14.147 0.508 1.00 0.00 N ATOM 1518 CA TYR A 97 -5.710 -14.190 -0.943 1.00 0.00 C ATOM 1519 C TYR A 97 -4.245 -14.327 -1.345 1.00 0.00 C ATOM 1520 O TYR A 97 -3.810 -13.768 -2.351 1.00 0.00 O ATOM 1521 CB TYR A 97 -6.308 -12.931 -1.572 1.00 0.00 C ATOM 1522 CG TYR A 97 -7.580 -12.464 -0.901 1.00 0.00 C ATOM 1523 CD1 TYR A 97 -8.687 -13.299 -0.809 1.00 0.00 C ATOM 1524 CD2 TYR A 97 -7.675 -11.188 -0.359 1.00 0.00 C ATOM 1525 CE1 TYR A 97 -9.851 -12.876 -0.198 1.00 0.00 C ATOM 1526 CE2 TYR A 97 -8.835 -10.758 0.255 1.00 0.00 C ATOM 1527 CZ TYR A 97 -9.921 -11.605 0.332 1.00 0.00 C ATOM 1528 OH TYR A 97 -11.078 -11.181 0.943 1.00 0.00 O ATOM 0 H TYR A 97 -5.637 -13.241 0.926 1.00 0.00 H new ATOM 0 HA TYR A 97 -6.251 -15.062 -1.309 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -5.570 -12.129 -1.531 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -6.512 -13.123 -2.625 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -8.636 -14.296 -1.222 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -6.827 -10.521 -0.419 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -10.702 -13.538 -0.136 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -8.892 -9.764 0.673 1.00 0.00 H new ATOM 0 HH TYR A 97 -10.961 -10.262 1.263 1.00 0.00 H new ATOM 1538 N GLY A 98 -3.488 -15.078 -0.550 1.00 0.00 N ATOM 1539 CA GLY A 98 -2.079 -15.276 -0.839 1.00 0.00 C ATOM 1540 C GLY A 98 -1.854 -16.181 -2.034 1.00 0.00 C ATOM 1541 O GLY A 98 -1.320 -15.750 -3.055 1.00 0.00 O ATOM 0 H GLY A 98 -3.825 -15.552 0.288 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -1.610 -14.310 -1.026 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -1.589 -15.705 0.035 1.00 0.00 H new ATOM 1545 N SER A 99 -2.262 -17.440 -1.906 1.00 0.00 N ATOM 1546 CA SER A 99 -2.096 -18.410 -2.982 1.00 0.00 C ATOM 1547 C SER A 99 -2.574 -17.833 -4.312 1.00 0.00 C ATOM 1548 O SER A 99 -1.904 -17.969 -5.336 1.00 0.00 O ATOM 1549 CB SER A 99 -2.867 -19.693 -2.665 1.00 0.00 C ATOM 1550 OG SER A 99 -2.380 -20.300 -1.480 1.00 0.00 O ATOM 0 H SER A 99 -2.710 -17.812 -1.068 1.00 0.00 H new ATOM 0 HA SER A 99 -1.035 -18.643 -3.066 1.00 0.00 H new ATOM 0 HB2 SER A 99 -3.927 -19.466 -2.552 1.00 0.00 H new ATOM 0 HB3 SER A 99 -2.778 -20.390 -3.498 1.00 0.00 H new ATOM 0 HG SER A 99 -2.890 -21.117 -1.298 1.00 0.00 H new ATOM 1556 N ARG A 100 -3.736 -17.188 -4.286 1.00 0.00 N ATOM 1557 CA ARG A 100 -4.304 -16.591 -5.489 1.00 0.00 C ATOM 1558 C ARG A 100 -3.382 -15.511 -6.048 1.00 0.00 C ATOM 1559 O ARG A 100 -3.263 -15.351 -7.262 1.00 0.00 O ATOM 1560 CB ARG A 100 -5.680 -15.994 -5.186 1.00 0.00 C ATOM 1561 CG ARG A 100 -6.814 -17.003 -5.275 1.00 0.00 C ATOM 1562 CD ARG A 100 -7.055 -17.688 -3.939 1.00 0.00 C ATOM 1563 NE ARG A 100 -8.143 -18.660 -4.011 1.00 0.00 N ATOM 1564 CZ ARG A 100 -8.725 -19.193 -2.942 1.00 0.00 C ATOM 1565 NH1 ARG A 100 -8.326 -18.849 -1.726 1.00 0.00 N ATOM 1566 NH2 ARG A 100 -9.708 -20.072 -3.090 1.00 0.00 N ATOM 0 H ARG A 100 -4.302 -17.066 -3.446 1.00 0.00 H new ATOM 0 HA ARG A 100 -4.412 -17.376 -6.238 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -5.667 -15.562 -4.185 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -5.875 -15.179 -5.883 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -7.726 -16.500 -5.597 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -6.578 -17.751 -6.032 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -6.142 -18.189 -3.619 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -7.289 -16.938 -3.184 1.00 0.00 H new ATOM 0 HE ARG A 100 -8.474 -18.945 -4.933 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -7.571 -18.174 -1.609 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -8.774 -19.260 -0.907 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -10.017 -20.339 -4.025 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -10.154 -20.481 -2.269 1.00 0.00 H new ATOM 1580 N ALA A 101 -2.732 -14.774 -5.153 1.00 0.00 N ATOM 1581 CA ALA A 101 -1.820 -13.711 -5.557 1.00 0.00 C ATOM 1582 C ALA A 101 -0.735 -14.243 -6.487 1.00 0.00 C ATOM 1583 O ALA A 101 -0.050 -13.473 -7.161 1.00 0.00 O ATOM 1584 CB ALA A 101 -1.195 -13.059 -4.333 1.00 0.00 C ATOM 0 H ALA A 101 -2.820 -14.894 -4.144 1.00 0.00 H new ATOM 0 HA ALA A 101 -2.394 -12.961 -6.102 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -0.516 -12.267 -4.649 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -1.979 -12.636 -3.706 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -0.641 -13.807 -3.766 1.00 0.00 H new ATOM 1590 N GLN A 102 -0.583 -15.563 -6.518 1.00 0.00 N ATOM 1591 CA GLN A 102 0.420 -16.197 -7.365 1.00 0.00 C ATOM 1592 C GLN A 102 -0.219 -16.790 -8.616 1.00 0.00 C ATOM 1593 O GLN A 102 0.432 -16.934 -9.652 1.00 0.00 O ATOM 1594 CB GLN A 102 1.158 -17.289 -6.589 1.00 0.00 C ATOM 1595 CG GLN A 102 1.689 -16.824 -5.242 1.00 0.00 C ATOM 1596 CD GLN A 102 2.772 -15.771 -5.374 1.00 0.00 C ATOM 1597 OE1 GLN A 102 3.961 -16.068 -5.249 1.00 0.00 O ATOM 1598 NE2 GLN A 102 2.367 -14.533 -5.626 1.00 0.00 N ATOM 0 H GLN A 102 -1.142 -16.214 -5.966 1.00 0.00 H new ATOM 0 HA GLN A 102 1.134 -15.433 -7.671 1.00 0.00 H new ATOM 0 HB2 GLN A 102 0.484 -18.131 -6.434 1.00 0.00 H new ATOM 0 HB3 GLN A 102 1.990 -17.653 -7.192 1.00 0.00 H new ATOM 0 HG2 GLN A 102 0.866 -16.422 -4.651 1.00 0.00 H new ATOM 0 HG3 GLN A 102 2.085 -17.681 -4.696 1.00 0.00 H new ATOM 0 HE21 GLN A 102 1.372 -14.332 -5.722 1.00 0.00 H new ATOM 0 HE22 GLN A 102 3.051 -13.783 -5.724 1.00 0.00 H new ATOM 1607 N THR A 103 -1.499 -17.134 -8.515 1.00 0.00 N ATOM 1608 CA THR A 103 -2.227 -17.713 -9.637 1.00 0.00 C ATOM 1609 C THR A 103 -3.298 -16.758 -10.150 1.00 0.00 C ATOM 1610 O THR A 103 -3.252 -16.318 -11.298 1.00 0.00 O ATOM 1611 CB THR A 103 -2.890 -19.048 -9.247 1.00 0.00 C ATOM 1612 OG1 THR A 103 -3.756 -18.856 -8.123 1.00 0.00 O ATOM 1613 CG2 THR A 103 -1.839 -20.096 -8.911 1.00 0.00 C ATOM 0 H THR A 103 -2.053 -17.021 -7.666 1.00 0.00 H new ATOM 0 HA THR A 103 -1.498 -17.894 -10.427 1.00 0.00 H new ATOM 0 HB THR A 103 -3.473 -19.400 -10.098 1.00 0.00 H new ATOM 0 HG1 THR A 103 -4.174 -19.709 -7.883 1.00 0.00 H new ATOM 0 HG21 THR A 103 -2.331 -21.030 -8.639 1.00 0.00 H new ATOM 0 HG22 THR A 103 -1.200 -20.262 -9.778 1.00 0.00 H new ATOM 0 HG23 THR A 103 -1.232 -19.748 -8.075 1.00 0.00 H new ATOM 1621 N ALA A 104 -4.261 -16.440 -9.291 1.00 0.00 N ATOM 1622 CA ALA A 104 -5.343 -15.534 -9.657 1.00 0.00 C ATOM 1623 C ALA A 104 -4.847 -14.436 -10.592 1.00 0.00 C ATOM 1624 O ALA A 104 -3.752 -13.896 -10.428 1.00 0.00 O ATOM 1625 CB ALA A 104 -5.966 -14.925 -8.410 1.00 0.00 C ATOM 0 H ALA A 104 -4.314 -16.796 -8.337 1.00 0.00 H new ATOM 0 HA ALA A 104 -6.103 -16.110 -10.186 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -6.772 -14.251 -8.698 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -6.365 -15.718 -7.778 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -5.208 -14.369 -7.859 1.00 0.00 H new ATOM 1631 N PRO A 105 -5.668 -14.098 -11.597 1.00 0.00 N ATOM 1632 CA PRO A 105 -5.333 -13.062 -12.578 1.00 0.00 C ATOM 1633 C PRO A 105 -5.341 -11.663 -11.971 1.00 0.00 C ATOM 1634 O PRO A 105 -5.778 -11.455 -10.839 1.00 0.00 O ATOM 1635 CB PRO A 105 -6.439 -13.195 -13.627 1.00 0.00 C ATOM 1636 CG PRO A 105 -7.588 -13.795 -12.892 1.00 0.00 C ATOM 1637 CD PRO A 105 -6.987 -14.700 -11.853 1.00 0.00 C ATOM 0 HA PRO A 105 -4.328 -13.192 -12.979 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -6.702 -12.225 -14.050 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -6.124 -13.829 -14.456 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -8.201 -13.022 -12.429 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -8.235 -14.353 -13.568 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -7.595 -14.734 -10.949 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -6.898 -15.724 -12.215 1.00 0.00 H new ATOM 1645 N PRO A 106 -4.848 -10.680 -12.738 1.00 0.00 N ATOM 1646 CA PRO A 106 -4.789 -9.284 -12.296 1.00 0.00 C ATOM 1647 C PRO A 106 -6.171 -8.647 -12.199 1.00 0.00 C ATOM 1648 O PRO A 106 -7.043 -8.905 -13.029 1.00 0.00 O ATOM 1649 CB PRO A 106 -3.961 -8.601 -13.387 1.00 0.00 C ATOM 1650 CG PRO A 106 -4.158 -9.446 -14.598 1.00 0.00 C ATOM 1651 CD PRO A 106 -4.310 -10.856 -14.098 1.00 0.00 C ATOM 0 HA PRO A 106 -4.363 -9.191 -11.297 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -4.299 -7.579 -13.558 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -2.908 -8.547 -13.109 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -5.041 -9.132 -15.154 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -3.308 -9.361 -15.275 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -4.987 -11.434 -14.726 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -3.356 -11.384 -14.088 1.00 0.00 H new ATOM 1659 N TYR A 107 -6.364 -7.816 -11.182 1.00 0.00 N ATOM 1660 CA TYR A 107 -7.641 -7.144 -10.976 1.00 0.00 C ATOM 1661 C TYR A 107 -8.757 -8.156 -10.735 1.00 0.00 C ATOM 1662 O TYR A 107 -9.840 -8.051 -11.310 1.00 0.00 O ATOM 1663 CB TYR A 107 -7.982 -6.270 -12.184 1.00 0.00 C ATOM 1664 CG TYR A 107 -7.117 -5.035 -12.302 1.00 0.00 C ATOM 1665 CD1 TYR A 107 -5.905 -5.075 -12.982 1.00 0.00 C ATOM 1666 CD2 TYR A 107 -7.509 -3.830 -11.733 1.00 0.00 C ATOM 1667 CE1 TYR A 107 -5.111 -3.951 -13.092 1.00 0.00 C ATOM 1668 CE2 TYR A 107 -6.722 -2.700 -11.839 1.00 0.00 C ATOM 1669 CZ TYR A 107 -5.523 -2.766 -12.519 1.00 0.00 C ATOM 1670 OH TYR A 107 -4.735 -1.643 -12.626 1.00 0.00 O ATOM 0 H TYR A 107 -5.652 -7.591 -10.487 1.00 0.00 H new ATOM 0 HA TYR A 107 -7.551 -6.512 -10.092 1.00 0.00 H new ATOM 0 HB2 TYR A 107 -7.879 -6.864 -13.092 1.00 0.00 H new ATOM 0 HB3 TYR A 107 -9.027 -5.967 -12.119 1.00 0.00 H new ATOM 0 HD1 TYR A 107 -5.579 -6.001 -13.432 1.00 0.00 H new ATOM 0 HD2 TYR A 107 -8.446 -3.776 -11.198 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -4.172 -3.999 -13.624 1.00 0.00 H new ATOM 0 HE2 TYR A 107 -7.043 -1.770 -11.392 1.00 0.00 H new ATOM 0 HH TYR A 107 -5.170 -0.893 -12.169 1.00 0.00 H new ATOM 1680 N ALA A 108 -8.483 -9.136 -9.881 1.00 0.00 N ATOM 1681 CA ALA A 108 -9.463 -10.167 -9.561 1.00 0.00 C ATOM 1682 C ALA A 108 -10.060 -9.946 -8.175 1.00 0.00 C ATOM 1683 O ALA A 108 -11.280 -9.925 -8.011 1.00 0.00 O ATOM 1684 CB ALA A 108 -8.827 -11.546 -9.649 1.00 0.00 C ATOM 0 H ALA A 108 -7.590 -9.238 -9.398 1.00 0.00 H new ATOM 0 HA ALA A 108 -10.270 -10.104 -10.291 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -9.570 -12.306 -9.408 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -8.455 -11.711 -10.660 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -7.999 -11.611 -8.943 1.00 0.00 H new ATOM 1690 N MET A 109 -9.193 -9.782 -7.182 1.00 0.00 N ATOM 1691 CA MET A 109 -9.636 -9.562 -5.810 1.00 0.00 C ATOM 1692 C MET A 109 -9.626 -8.075 -5.467 1.00 0.00 C ATOM 1693 O MET A 109 -9.320 -7.691 -4.339 1.00 0.00 O ATOM 1694 CB MET A 109 -8.742 -10.328 -4.833 1.00 0.00 C ATOM 1695 CG MET A 109 -8.993 -11.828 -4.829 1.00 0.00 C ATOM 1696 SD MET A 109 -7.983 -12.704 -6.040 1.00 0.00 S ATOM 1697 CE MET A 109 -6.337 -12.335 -5.438 1.00 0.00 C ATOM 0 H MET A 109 -8.180 -9.797 -7.301 1.00 0.00 H new ATOM 0 HA MET A 109 -10.658 -9.931 -5.722 1.00 0.00 H new ATOM 0 HB2 MET A 109 -7.698 -10.143 -5.087 1.00 0.00 H new ATOM 0 HB3 MET A 109 -8.899 -9.939 -3.827 1.00 0.00 H new ATOM 0 HG2 MET A 109 -8.787 -12.224 -3.835 1.00 0.00 H new ATOM 0 HG3 MET A 109 -10.046 -12.017 -5.035 1.00 0.00 H new ATOM 0 HE1 MET A 109 -5.790 -11.774 -6.195 1.00 0.00 H new ATOM 0 HE2 MET A 109 -6.408 -11.741 -4.527 1.00 0.00 H new ATOM 0 HE3 MET A 109 -5.810 -13.265 -5.225 1.00 0.00 H new ATOM 1707 N ASN A 110 -9.961 -7.244 -6.448 1.00 0.00 N ATOM 1708 CA ASN A 110 -9.989 -5.799 -6.250 1.00 0.00 C ATOM 1709 C ASN A 110 -11.216 -5.385 -5.445 1.00 0.00 C ATOM 1710 O ASN A 110 -11.161 -4.450 -4.645 1.00 0.00 O ATOM 1711 CB ASN A 110 -9.983 -5.078 -7.599 1.00 0.00 C ATOM 1712 CG ASN A 110 -11.350 -5.067 -8.255 1.00 0.00 C ATOM 1713 OD1 ASN A 110 -12.119 -4.118 -8.096 1.00 0.00 O ATOM 1714 ND2 ASN A 110 -11.659 -6.124 -8.997 1.00 0.00 N ATOM 0 H ASN A 110 -10.217 -7.546 -7.388 1.00 0.00 H new ATOM 0 HA ASN A 110 -9.097 -5.516 -5.691 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -9.642 -4.052 -7.458 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -9.268 -5.563 -8.264 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -12.565 -6.173 -9.463 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -10.990 -6.887 -9.101 1.00 0.00 H new ATOM 1721 N SER A 111 -12.324 -6.087 -5.661 1.00 0.00 N ATOM 1722 CA SER A 111 -13.567 -5.790 -4.958 1.00 0.00 C ATOM 1723 C SER A 111 -13.464 -6.176 -3.485 1.00 0.00 C ATOM 1724 O SER A 111 -13.494 -5.317 -2.605 1.00 0.00 O ATOM 1725 CB SER A 111 -14.736 -6.530 -5.610 1.00 0.00 C ATOM 1726 OG SER A 111 -15.168 -5.867 -6.785 1.00 0.00 O ATOM 0 H SER A 111 -12.386 -6.865 -6.317 1.00 0.00 H new ATOM 0 HA SER A 111 -13.744 -4.716 -5.023 1.00 0.00 H new ATOM 0 HB2 SER A 111 -14.435 -7.549 -5.854 1.00 0.00 H new ATOM 0 HB3 SER A 111 -15.564 -6.602 -4.904 1.00 0.00 H new ATOM 0 HG SER A 111 -15.915 -6.361 -7.184 1.00 0.00 H new ATOM 1732 N GLU A 112 -13.342 -7.474 -3.227 1.00 0.00 N ATOM 1733 CA GLU A 112 -13.235 -7.974 -1.862 1.00 0.00 C ATOM 1734 C GLU A 112 -12.213 -7.167 -1.065 1.00 0.00 C ATOM 1735 O GLU A 112 -12.522 -6.633 0.000 1.00 0.00 O ATOM 1736 CB GLU A 112 -12.842 -9.453 -1.866 1.00 0.00 C ATOM 1737 CG GLU A 112 -13.795 -10.334 -2.655 1.00 0.00 C ATOM 1738 CD GLU A 112 -15.247 -10.099 -2.286 1.00 0.00 C ATOM 1739 OE1 GLU A 112 -15.560 -10.099 -1.077 1.00 0.00 O ATOM 1740 OE2 GLU A 112 -16.071 -9.916 -3.206 1.00 0.00 O ATOM 0 H GLU A 112 -13.315 -8.198 -3.945 1.00 0.00 H new ATOM 0 HA GLU A 112 -14.209 -7.866 -1.386 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -11.840 -9.553 -2.282 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -12.797 -9.811 -0.837 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -13.660 -10.146 -3.720 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -13.545 -11.381 -2.481 1.00 0.00 H new ATOM 1747 N PHE A 113 -10.995 -7.084 -1.590 1.00 0.00 N ATOM 1748 CA PHE A 113 -9.927 -6.344 -0.928 1.00 0.00 C ATOM 1749 C PHE A 113 -10.300 -4.872 -0.773 1.00 0.00 C ATOM 1750 O PHE A 113 -10.196 -4.305 0.315 1.00 0.00 O ATOM 1751 CB PHE A 113 -8.624 -6.471 -1.719 1.00 0.00 C ATOM 1752 CG PHE A 113 -7.393 -6.410 -0.860 1.00 0.00 C ATOM 1753 CD1 PHE A 113 -7.248 -7.256 0.227 1.00 0.00 C ATOM 1754 CD2 PHE A 113 -6.381 -5.506 -1.141 1.00 0.00 C ATOM 1755 CE1 PHE A 113 -6.116 -7.202 1.020 1.00 0.00 C ATOM 1756 CE2 PHE A 113 -5.247 -5.448 -0.352 1.00 0.00 C ATOM 1757 CZ PHE A 113 -5.115 -6.296 0.730 1.00 0.00 C ATOM 0 H PHE A 113 -10.723 -7.520 -2.471 1.00 0.00 H new ATOM 0 HA PHE A 113 -9.784 -6.771 0.065 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -8.630 -7.414 -2.265 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -8.580 -5.674 -2.461 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -8.028 -7.966 0.458 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -6.479 -4.840 -1.985 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -6.015 -7.867 1.865 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -4.465 -4.740 -0.582 1.00 0.00 H new ATOM 0 HZ PHE A 113 -4.231 -6.251 1.348 1.00 0.00 H new ATOM 1767 N SER A 114 -10.734 -4.260 -1.870 1.00 0.00 N ATOM 1768 CA SER A 114 -11.118 -2.853 -1.858 1.00 0.00 C ATOM 1769 C SER A 114 -11.884 -2.509 -0.584 1.00 0.00 C ATOM 1770 O SER A 114 -11.591 -1.515 0.080 1.00 0.00 O ATOM 1771 CB SER A 114 -11.973 -2.526 -3.085 1.00 0.00 C ATOM 1772 OG SER A 114 -12.786 -1.390 -2.851 1.00 0.00 O ATOM 0 H SER A 114 -10.829 -4.716 -2.778 1.00 0.00 H new ATOM 0 HA SER A 114 -10.208 -2.253 -1.887 1.00 0.00 H new ATOM 0 HB2 SER A 114 -11.327 -2.344 -3.944 1.00 0.00 H new ATOM 0 HB3 SER A 114 -12.601 -3.382 -3.333 1.00 0.00 H new ATOM 0 HG SER A 114 -13.321 -1.201 -3.650 1.00 0.00 H new ATOM 1778 N SER A 115 -12.866 -3.340 -0.250 1.00 0.00 N ATOM 1779 CA SER A 115 -13.677 -3.123 0.943 1.00 0.00 C ATOM 1780 C SER A 115 -12.849 -3.325 2.208 1.00 0.00 C ATOM 1781 O SER A 115 -12.847 -2.480 3.103 1.00 0.00 O ATOM 1782 CB SER A 115 -14.877 -4.073 0.948 1.00 0.00 C ATOM 1783 OG SER A 115 -15.591 -3.985 2.169 1.00 0.00 O ATOM 0 H SER A 115 -13.119 -4.169 -0.788 1.00 0.00 H new ATOM 0 HA SER A 115 -14.036 -2.094 0.926 1.00 0.00 H new ATOM 0 HB2 SER A 115 -15.540 -3.831 0.117 1.00 0.00 H new ATOM 0 HB3 SER A 115 -14.535 -5.097 0.796 1.00 0.00 H new ATOM 0 HG SER A 115 -16.354 -4.600 2.147 1.00 0.00 H new ATOM 1789 N VAL A 116 -12.145 -4.451 2.274 1.00 0.00 N ATOM 1790 CA VAL A 116 -11.311 -4.765 3.428 1.00 0.00 C ATOM 1791 C VAL A 116 -10.368 -3.612 3.753 1.00 0.00 C ATOM 1792 O VAL A 116 -10.352 -3.107 4.876 1.00 0.00 O ATOM 1793 CB VAL A 116 -10.483 -6.041 3.191 1.00 0.00 C ATOM 1794 CG1 VAL A 116 -9.555 -6.302 4.368 1.00 0.00 C ATOM 1795 CG2 VAL A 116 -11.398 -7.232 2.948 1.00 0.00 C ATOM 0 H VAL A 116 -12.136 -5.161 1.542 1.00 0.00 H new ATOM 0 HA VAL A 116 -11.983 -4.929 4.270 1.00 0.00 H new ATOM 0 HB VAL A 116 -9.870 -5.896 2.302 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -8.978 -7.208 4.182 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -8.876 -5.458 4.490 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -10.145 -6.427 5.276 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -10.796 -8.125 2.782 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -12.039 -7.382 3.817 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -12.016 -7.043 2.070 1.00 0.00 H new ATOM 1805 N LEU A 117 -9.582 -3.201 2.764 1.00 0.00 N ATOM 1806 CA LEU A 117 -8.634 -2.107 2.944 1.00 0.00 C ATOM 1807 C LEU A 117 -9.337 -0.858 3.464 1.00 0.00 C ATOM 1808 O LEU A 117 -8.899 -0.247 4.439 1.00 0.00 O ATOM 1809 CB LEU A 117 -7.927 -1.796 1.624 1.00 0.00 C ATOM 1810 CG LEU A 117 -6.781 -2.732 1.239 1.00 0.00 C ATOM 1811 CD1 LEU A 117 -6.330 -2.465 -0.189 1.00 0.00 C ATOM 1812 CD2 LEU A 117 -5.617 -2.576 2.206 1.00 0.00 C ATOM 0 H LEU A 117 -9.582 -3.609 1.829 1.00 0.00 H new ATOM 0 HA LEU A 117 -7.893 -2.418 3.681 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -8.668 -1.814 0.825 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -7.538 -0.779 1.674 1.00 0.00 H new ATOM 0 HG LEU A 117 -7.141 -3.759 1.298 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -5.514 -3.141 -0.445 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -7.164 -2.629 -0.871 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -5.988 -1.434 -0.276 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -4.811 -3.250 1.916 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -5.257 -1.547 2.180 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -5.948 -2.819 3.216 1.00 0.00 H new ATOM 1824 N ALA A 118 -10.431 -0.485 2.809 1.00 0.00 N ATOM 1825 CA ALA A 118 -11.198 0.689 3.208 1.00 0.00 C ATOM 1826 C ALA A 118 -11.428 0.709 4.715 1.00 0.00 C ATOM 1827 O ALA A 118 -11.221 1.729 5.371 1.00 0.00 O ATOM 1828 CB ALA A 118 -12.527 0.728 2.469 1.00 0.00 C ATOM 0 H ALA A 118 -10.806 -0.979 1.999 1.00 0.00 H new ATOM 0 HA ALA A 118 -10.622 1.575 2.943 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -13.089 1.610 2.777 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -12.345 0.770 1.395 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -13.101 -0.168 2.705 1.00 0.00 H new ATOM 1834 N ALA A 119 -11.857 -0.426 5.258 1.00 0.00 N ATOM 1835 CA ALA A 119 -12.113 -0.539 6.689 1.00 0.00 C ATOM 1836 C ALA A 119 -10.828 -0.369 7.492 1.00 0.00 C ATOM 1837 O ALA A 119 -10.832 0.236 8.564 1.00 0.00 O ATOM 1838 CB ALA A 119 -12.762 -1.879 7.004 1.00 0.00 C ATOM 0 H ALA A 119 -12.034 -1.280 4.729 1.00 0.00 H new ATOM 0 HA ALA A 119 -12.797 0.260 6.975 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -12.948 -1.950 8.076 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -13.706 -1.961 6.466 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -12.097 -2.686 6.696 1.00 0.00 H new ATOM 1844 N GLN A 120 -9.732 -0.906 6.967 1.00 0.00 N ATOM 1845 CA GLN A 120 -8.440 -0.814 7.637 1.00 0.00 C ATOM 1846 C GLN A 120 -7.960 0.632 7.697 1.00 0.00 C ATOM 1847 O GLN A 120 -7.464 1.091 8.727 1.00 0.00 O ATOM 1848 CB GLN A 120 -7.405 -1.678 6.916 1.00 0.00 C ATOM 1849 CG GLN A 120 -7.574 -3.168 7.168 1.00 0.00 C ATOM 1850 CD GLN A 120 -7.525 -3.520 8.642 1.00 0.00 C ATOM 1851 OE1 GLN A 120 -6.460 -3.508 9.260 1.00 0.00 O ATOM 1852 NE2 GLN A 120 -8.681 -3.836 9.214 1.00 0.00 N ATOM 0 H GLN A 120 -9.712 -1.409 6.080 1.00 0.00 H new ATOM 0 HA GLN A 120 -8.561 -1.180 8.657 1.00 0.00 H new ATOM 0 HB2 GLN A 120 -7.470 -1.490 5.844 1.00 0.00 H new ATOM 0 HB3 GLN A 120 -6.407 -1.375 7.233 1.00 0.00 H new ATOM 0 HG2 GLN A 120 -8.526 -3.497 6.751 1.00 0.00 H new ATOM 0 HG3 GLN A 120 -6.790 -3.713 6.642 1.00 0.00 H new ATOM 0 HE21 GLN A 120 -9.540 -3.833 8.664 1.00 0.00 H new ATOM 0 HE22 GLN A 120 -8.710 -4.082 10.204 1.00 0.00 H new ATOM 1861 N LEU A 121 -8.110 1.347 6.587 1.00 0.00 N ATOM 1862 CA LEU A 121 -7.691 2.742 6.513 1.00 0.00 C ATOM 1863 C LEU A 121 -8.476 3.599 7.501 1.00 0.00 C ATOM 1864 O LEU A 121 -7.896 4.354 8.282 1.00 0.00 O ATOM 1865 CB LEU A 121 -7.881 3.277 5.093 1.00 0.00 C ATOM 1866 CG LEU A 121 -6.774 2.939 4.094 1.00 0.00 C ATOM 1867 CD1 LEU A 121 -7.320 2.925 2.675 1.00 0.00 C ATOM 1868 CD2 LEU A 121 -5.626 3.931 4.216 1.00 0.00 C ATOM 0 H LEU A 121 -8.519 0.983 5.726 1.00 0.00 H new ATOM 0 HA LEU A 121 -6.634 2.793 6.776 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -8.824 2.892 4.704 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -7.977 4.362 5.145 1.00 0.00 H new ATOM 0 HG LEU A 121 -6.395 1.943 4.324 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -6.517 2.683 1.979 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -8.108 2.176 2.596 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -7.727 3.907 2.432 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -4.847 3.676 3.498 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -5.992 4.937 4.012 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -5.216 3.891 5.225 1.00 0.00 H new ATOM 1880 N LYS A 122 -9.798 3.477 7.462 1.00 0.00 N ATOM 1881 CA LYS A 122 -10.664 4.238 8.356 1.00 0.00 C ATOM 1882 C LYS A 122 -10.349 3.925 9.815 1.00 0.00 C ATOM 1883 O LYS A 122 -10.276 4.826 10.652 1.00 0.00 O ATOM 1884 CB LYS A 122 -12.134 3.927 8.062 1.00 0.00 C ATOM 1885 CG LYS A 122 -12.598 4.414 6.701 1.00 0.00 C ATOM 1886 CD LYS A 122 -14.104 4.615 6.665 1.00 0.00 C ATOM 1887 CE LYS A 122 -14.514 5.554 5.541 1.00 0.00 C ATOM 1888 NZ LYS A 122 -15.984 5.524 5.301 1.00 0.00 N ATOM 0 H LYS A 122 -10.294 2.858 6.821 1.00 0.00 H new ATOM 0 HA LYS A 122 -10.482 5.299 8.183 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -12.288 2.850 8.125 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -12.755 4.384 8.833 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -12.099 5.352 6.460 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -12.308 3.693 5.937 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -14.598 3.652 6.534 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -14.441 5.019 7.619 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -14.207 6.571 5.787 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -13.991 5.275 4.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -16.223 6.177 4.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -16.274 4.559 5.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -16.483 5.814 6.166 1.00 0.00 H new ATOM 1902 N HIS A 123 -10.161 2.643 10.114 1.00 0.00 N ATOM 1903 CA HIS A 123 -9.851 2.213 11.472 1.00 0.00 C ATOM 1904 C HIS A 123 -8.579 2.885 11.979 1.00 0.00 C ATOM 1905 O HIS A 123 -8.585 3.547 13.017 1.00 0.00 O ATOM 1906 CB HIS A 123 -9.694 0.693 11.525 1.00 0.00 C ATOM 1907 CG HIS A 123 -9.432 0.165 12.902 1.00 0.00 C ATOM 1908 ND1 HIS A 123 -8.701 -0.979 13.142 1.00 0.00 N ATOM 1909 CD2 HIS A 123 -9.806 0.633 14.115 1.00 0.00 C ATOM 1910 CE1 HIS A 123 -8.638 -1.194 14.444 1.00 0.00 C ATOM 1911 NE2 HIS A 123 -9.301 -0.229 15.058 1.00 0.00 N ATOM 0 H HIS A 123 -10.218 1.885 9.434 1.00 0.00 H new ATOM 0 HA HIS A 123 -10.678 2.509 12.117 1.00 0.00 H new ATOM 0 HB2 HIS A 123 -10.599 0.229 11.133 1.00 0.00 H new ATOM 0 HB3 HIS A 123 -8.875 0.398 10.870 1.00 0.00 H new ATOM 0 HD2 HIS A 123 -10.393 1.519 14.306 1.00 0.00 H new ATOM 0 HE1 HIS A 123 -8.131 -2.018 14.925 1.00 0.00 H new ATOM 0 HE2 HIS A 123 -9.418 -0.139 16.067 1.00 0.00 H new ATOM 1920 N HIS A 124 -7.488 2.710 11.239 1.00 0.00 N ATOM 1921 CA HIS A 124 -6.208 3.300 11.613 1.00 0.00 C ATOM 1922 C HIS A 124 -6.291 4.823 11.614 1.00 0.00 C ATOM 1923 O HIS A 124 -6.123 5.463 12.652 1.00 0.00 O ATOM 1924 CB HIS A 124 -5.110 2.838 10.655 1.00 0.00 C ATOM 1925 CG HIS A 124 -4.596 1.463 10.951 1.00 0.00 C ATOM 1926 ND1 HIS A 124 -3.253 1.152 10.982 1.00 0.00 N ATOM 1927 CD2 HIS A 124 -5.253 0.313 11.232 1.00 0.00 C ATOM 1928 CE1 HIS A 124 -3.106 -0.130 11.268 1.00 0.00 C ATOM 1929 NE2 HIS A 124 -4.305 -0.661 11.425 1.00 0.00 N ATOM 0 H HIS A 124 -7.465 2.165 10.377 1.00 0.00 H new ATOM 0 HA HIS A 124 -5.964 2.967 12.622 1.00 0.00 H new ATOM 0 HB2 HIS A 124 -5.495 2.861 9.636 1.00 0.00 H new ATOM 0 HB3 HIS A 124 -4.281 3.544 10.698 1.00 0.00 H new ATOM 0 HD2 HIS A 124 -6.324 0.186 11.293 1.00 0.00 H new ATOM 0 HE1 HIS A 124 -2.166 -0.654 11.358 1.00 0.00 H new ATOM 0 HE2 HIS A 124 -4.496 -1.637 11.653 1.00 0.00 H new