USER MOD reduce.3.24.130724 H: found=0, std=0, add=1093, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1094 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 137 ASN : amide:sc= -1.47 K(o=-1.7,f=-7.4!) USER MOD Set 1.2: A 144 THR OG1 : rot -170:sc= -0.222 USER MOD Set 2.1: A 45 SER OG : rot 94:sc= -0.959! USER MOD Set 2.2: A 143 THR OG1 : rot -170:sc= 0.955 USER MOD Set 3.1: A 62 LYS NZ :NH3+ -107:sc= 0.525 (180deg=-1.13!) USER MOD Set 3.2: A 64 TYR OH : rot -15:sc= -0.073 USER MOD Set 3.3: A 125 GLN : amide:sc= -0.194 X(o=0.26,f=0.5) USER MOD Set 4.1: A 81 LYS NZ :NH3+ -167:sc= 0 (180deg=0) USER MOD Set 4.2: A 135 GLN : amide:sc= -0.209 K(o=-0.21,f=-3.4!) USER MOD Set 5.1: A 54 THR OG1 : rot 180:sc= 0 USER MOD Set 5.2: A 131 THR OG1 : rot 180:sc= -0.0317 USER MOD Set 6.1: A 27 SER OG : rot 178:sc= 0.882 USER MOD Set 6.2: A 30 HIS : no HD1:sc= -0.268 K(o=0.61,f=-0.79) USER MOD Set 7.1: A 13 MET CE :methyl -122:sc= -2.39 (180deg=-5.2!) USER MOD Set 7.2: A 150 THR OG1 : rot 126:sc= 0.0393 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 MET CE :methyl -157:sc= -2.52 (180deg=-3.38!) USER MOD Single : A 17 ASN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 18 LYS NZ :NH3+ -164:sc= -0.0129 (180deg=-0.169) USER MOD Single : A 21 CYS SG : rot 57:sc= 0.215 USER MOD Single : A 23 CYS SG : rot 180:sc= -0.317 USER MOD Single : A 25 ASN : amide:sc= -0.353 X(o=-0.35,f=-0.049) USER MOD Single : A 34 ASN : amide:sc= -0.297 X(o=-0.3,f=-0.5) USER MOD Single : A 35 CYS SG : rot -72:sc= 1.18 USER MOD Single : A 47 CYS SG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -0.0772 X(o=-0.077,f=0) USER MOD Single : A 58 ASN : amide:sc= -0.181 X(o=-0.18,f=0) USER MOD Single : A 59 GLN : amide:sc= -4.64! C(o=-4.6!,f=-6.8!) USER MOD Single : A 65 SER OG : rot 180:sc= -0.438 USER MOD Single : A 66 MET CE :methyl -161:sc= 0 (180deg=-0.173) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -0.48 K(o=-0.48,f=-2.5) USER MOD Single : A 73 ASN : amide:sc= -0.406 K(o=-0.41,f=-0.97) USER MOD Single : A 75 GLN :FLIP amide:sc= -1.48 F(o=-2.6!,f=-1.5) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 ASN :FLIP amide:sc= -0.197 F(o=-2,f=-0.2) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 MET CE :methyl 158:sc= -2.6 (180deg=-4.2) USER MOD Single : A 98 SER OG : rot 90:sc= 0.00632 USER MOD Single : A 101 THR OG1 : rot -120:sc= -0.0301 USER MOD Single : A 102 GLN : amide:sc= -1.99 K(o=-2,f=-8!) USER MOD Single : A 107 THR OG1 : rot 42:sc= -0.142 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 ASN : amide:sc= -3.2 K(o=-3.2,f=-6.8!) USER MOD Single : A 128 ASN : amide:sc= -1.39 X(o=-1.4,f=-1.6) USER MOD Single : A 129 SER OG : rot 36:sc= 0.214 USER MOD Single : A 136 SER OG : rot 180:sc= 0 USER MOD Single : A 138 GLN : amide:sc= -1.04 K(o=-1,f=-6.6!) USER MOD Single : A 147 SER OG : rot 180:sc= -0.265 USER MOD Single : A 148 TYR OH : rot 180:sc= 0 USER MOD Single : A 154 THR OG1 : rot 180:sc= -0.856 USER MOD Single : A 157 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 73 N TYR A 9 12.750 9.361 0.891 1.00 0.00 N ATOM 74 CA TYR A 9 11.826 8.690 1.797 1.00 0.00 C ATOM 75 C TYR A 9 12.168 7.208 1.924 1.00 0.00 C ATOM 76 O TYR A 9 13.158 6.738 1.365 1.00 0.00 O ATOM 77 CB TYR A 9 10.387 8.853 1.305 1.00 0.00 C ATOM 78 CG TYR A 9 10.038 10.271 0.914 1.00 0.00 C ATOM 79 CD1 TYR A 9 9.604 11.187 1.865 1.00 0.00 C ATOM 80 CD2 TYR A 9 10.140 10.695 -0.405 1.00 0.00 C ATOM 81 CE1 TYR A 9 9.283 12.484 1.513 1.00 0.00 C ATOM 82 CE2 TYR A 9 9.823 11.990 -0.766 1.00 0.00 C ATOM 83 CZ TYR A 9 9.395 12.880 0.196 1.00 0.00 C ATOM 84 OH TYR A 9 9.076 14.171 -0.159 1.00 0.00 O ATOM 0 HA TYR A 9 11.921 9.152 2.780 1.00 0.00 H new ATOM 0 HB2 TYR A 9 10.229 8.199 0.447 1.00 0.00 H new ATOM 0 HB3 TYR A 9 9.705 8.522 2.088 1.00 0.00 H new ATOM 0 HD1 TYR A 9 9.516 10.880 2.897 1.00 0.00 H new ATOM 0 HD2 TYR A 9 10.473 10.000 -1.161 1.00 0.00 H new ATOM 0 HE1 TYR A 9 8.947 13.183 2.264 1.00 0.00 H new ATOM 0 HE2 TYR A 9 9.910 12.304 -1.796 1.00 0.00 H new ATOM 0 HH TYR A 9 9.210 14.288 -1.123 1.00 0.00 H new ATOM 94 N MET A 10 11.339 6.478 2.664 1.00 0.00 N ATOM 95 CA MET A 10 11.551 5.049 2.863 1.00 0.00 C ATOM 96 C MET A 10 10.264 4.269 2.616 1.00 0.00 C ATOM 97 O MET A 10 9.166 4.772 2.855 1.00 0.00 O ATOM 98 CB MET A 10 12.060 4.780 4.281 1.00 0.00 C ATOM 99 CG MET A 10 12.755 5.975 4.914 1.00 0.00 C ATOM 100 SD MET A 10 13.746 5.522 6.350 1.00 0.00 S ATOM 101 CE MET A 10 12.581 4.510 7.260 1.00 0.00 C ATOM 0 H MET A 10 10.515 6.852 3.135 1.00 0.00 H new ATOM 0 HA MET A 10 12.301 4.715 2.146 1.00 0.00 H new ATOM 0 HB2 MET A 10 11.220 4.484 4.910 1.00 0.00 H new ATOM 0 HB3 MET A 10 12.752 3.938 4.256 1.00 0.00 H new ATOM 0 HG2 MET A 10 13.395 6.453 4.172 1.00 0.00 H new ATOM 0 HG3 MET A 10 12.007 6.710 5.211 1.00 0.00 H new ATOM 0 HE1 MET A 10 12.861 4.491 8.313 1.00 0.00 H new ATOM 0 HE2 MET A 10 11.579 4.927 7.158 1.00 0.00 H new ATOM 0 HE3 MET A 10 12.593 3.495 6.863 1.00 0.00 H new ATOM 111 N ASP A 11 10.407 3.038 2.136 1.00 0.00 N ATOM 112 CA ASP A 11 9.255 2.188 1.857 1.00 0.00 C ATOM 113 C ASP A 11 8.594 1.726 3.152 1.00 0.00 C ATOM 114 O ASP A 11 7.489 1.182 3.138 1.00 0.00 O ATOM 115 CB ASP A 11 9.678 0.976 1.025 1.00 0.00 C ATOM 116 CG ASP A 11 10.773 1.310 0.032 1.00 0.00 C ATOM 117 OD1 ASP A 11 10.614 2.296 -0.718 1.00 0.00 O ATOM 118 OD2 ASP A 11 11.790 0.586 0.004 1.00 0.00 O ATOM 0 H ASP A 11 11.309 2.607 1.932 1.00 0.00 H new ATOM 0 HA ASP A 11 8.531 2.774 1.290 1.00 0.00 H new ATOM 0 HB2 ASP A 11 10.024 0.185 1.690 1.00 0.00 H new ATOM 0 HB3 ASP A 11 8.812 0.586 0.489 1.00 0.00 H new ATOM 123 N LEU A 12 9.278 1.946 4.270 1.00 0.00 N ATOM 124 CA LEU A 12 8.758 1.551 5.575 1.00 0.00 C ATOM 125 C LEU A 12 8.496 0.049 5.625 1.00 0.00 C ATOM 126 O LEU A 12 7.723 -0.429 6.454 1.00 0.00 O ATOM 127 CB LEU A 12 7.470 2.315 5.885 1.00 0.00 C ATOM 128 CG LEU A 12 7.464 3.799 5.515 1.00 0.00 C ATOM 129 CD1 LEU A 12 6.050 4.356 5.561 1.00 0.00 C ATOM 130 CD2 LEU A 12 8.379 4.584 6.444 1.00 0.00 C ATOM 0 H LEU A 12 10.193 2.395 4.299 1.00 0.00 H new ATOM 0 HA LEU A 12 9.508 1.796 6.327 1.00 0.00 H new ATOM 0 HB2 LEU A 12 6.647 1.827 5.362 1.00 0.00 H new ATOM 0 HB3 LEU A 12 7.267 2.226 6.952 1.00 0.00 H new ATOM 0 HG LEU A 12 7.839 3.901 4.497 1.00 0.00 H new ATOM 0 HD11 LEU A 12 6.066 5.413 5.295 1.00 0.00 H new ATOM 0 HD12 LEU A 12 5.422 3.813 4.854 1.00 0.00 H new ATOM 0 HD13 LEU A 12 5.646 4.241 6.567 1.00 0.00 H new ATOM 0 HD21 LEU A 12 8.362 5.638 6.166 1.00 0.00 H new ATOM 0 HD22 LEU A 12 8.034 4.474 7.472 1.00 0.00 H new ATOM 0 HD23 LEU A 12 9.397 4.203 6.360 1.00 0.00 H new ATOM 142 N MET A 13 9.147 -0.690 4.732 1.00 0.00 N ATOM 143 CA MET A 13 8.986 -2.138 4.677 1.00 0.00 C ATOM 144 C MET A 13 9.331 -2.775 6.020 1.00 0.00 C ATOM 145 O MET A 13 8.547 -3.529 6.596 1.00 0.00 O ATOM 146 CB MET A 13 9.870 -2.730 3.577 1.00 0.00 C ATOM 147 CG MET A 13 9.178 -3.802 2.752 1.00 0.00 C ATOM 148 SD MET A 13 8.308 -3.127 1.324 1.00 0.00 S ATOM 149 CE MET A 13 6.616 -3.561 1.722 1.00 0.00 C ATOM 0 H MET A 13 9.790 -0.310 4.037 1.00 0.00 H new ATOM 0 HA MET A 13 7.942 -2.354 4.450 1.00 0.00 H new ATOM 0 HB2 MET A 13 10.197 -1.928 2.915 1.00 0.00 H new ATOM 0 HB3 MET A 13 10.766 -3.154 4.031 1.00 0.00 H new ATOM 0 HG2 MET A 13 9.917 -4.527 2.412 1.00 0.00 H new ATOM 0 HG3 MET A 13 8.470 -4.340 3.383 1.00 0.00 H new ATOM 0 HE1 MET A 13 6.200 -4.175 0.923 1.00 0.00 H new ATOM 0 HE2 MET A 13 6.594 -4.120 2.658 1.00 0.00 H new ATOM 0 HE3 MET A 13 6.023 -2.653 1.828 1.00 0.00 H new ATOM 159 N PRO A 14 10.532 -2.466 6.531 1.00 0.00 N ATOM 160 CA PRO A 14 11.008 -2.998 7.812 1.00 0.00 C ATOM 161 C PRO A 14 10.245 -2.419 8.998 1.00 0.00 C ATOM 162 O PRO A 14 10.453 -2.828 10.141 1.00 0.00 O ATOM 163 CB PRO A 14 12.475 -2.561 7.854 1.00 0.00 C ATOM 164 CG PRO A 14 12.536 -1.354 6.983 1.00 0.00 C ATOM 165 CD PRO A 14 11.519 -1.574 5.898 1.00 0.00 C ATOM 0 HA PRO A 14 10.869 -4.077 7.883 1.00 0.00 H new ATOM 0 HB2 PRO A 14 12.791 -2.331 8.872 1.00 0.00 H new ATOM 0 HB3 PRO A 14 13.133 -3.348 7.486 1.00 0.00 H new ATOM 0 HG2 PRO A 14 12.311 -0.451 7.551 1.00 0.00 H new ATOM 0 HG3 PRO A 14 13.534 -1.226 6.563 1.00 0.00 H new ATOM 0 HD2 PRO A 14 11.065 -0.637 5.576 1.00 0.00 H new ATOM 0 HD3 PRO A 14 11.966 -2.031 5.015 1.00 0.00 H new ATOM 173 N PHE A 15 9.362 -1.466 8.720 1.00 0.00 N ATOM 174 CA PHE A 15 8.569 -0.830 9.766 1.00 0.00 C ATOM 175 C PHE A 15 7.172 -1.441 9.835 1.00 0.00 C ATOM 176 O PHE A 15 6.387 -1.120 10.728 1.00 0.00 O ATOM 177 CB PHE A 15 8.468 0.676 9.515 1.00 0.00 C ATOM 178 CG PHE A 15 9.767 1.404 9.708 1.00 0.00 C ATOM 179 CD1 PHE A 15 10.803 1.252 8.801 1.00 0.00 C ATOM 180 CD2 PHE A 15 9.952 2.241 10.797 1.00 0.00 C ATOM 181 CE1 PHE A 15 12.000 1.921 8.977 1.00 0.00 C ATOM 182 CE2 PHE A 15 11.146 2.912 10.978 1.00 0.00 C ATOM 183 CZ PHE A 15 12.171 2.753 10.066 1.00 0.00 C ATOM 0 H PHE A 15 9.177 -1.117 7.780 1.00 0.00 H new ATOM 0 HA PHE A 15 9.068 -0.999 10.720 1.00 0.00 H new ATOM 0 HB2 PHE A 15 8.114 0.844 8.498 1.00 0.00 H new ATOM 0 HB3 PHE A 15 7.720 1.099 10.186 1.00 0.00 H new ATOM 0 HD1 PHE A 15 10.674 0.604 7.947 1.00 0.00 H new ATOM 0 HD2 PHE A 15 9.153 2.370 11.513 1.00 0.00 H new ATOM 0 HE1 PHE A 15 12.801 1.793 8.264 1.00 0.00 H new ATOM 0 HE2 PHE A 15 11.278 3.560 11.832 1.00 0.00 H new ATOM 0 HZ PHE A 15 13.104 3.278 10.204 1.00 0.00 H new ATOM 193 N ILE A 16 6.870 -2.320 8.886 1.00 0.00 N ATOM 194 CA ILE A 16 5.568 -2.976 8.839 1.00 0.00 C ATOM 195 C ILE A 16 5.569 -4.258 9.665 1.00 0.00 C ATOM 196 O ILE A 16 6.545 -5.007 9.666 1.00 0.00 O ATOM 197 CB ILE A 16 5.158 -3.310 7.393 1.00 0.00 C ATOM 198 CG1 ILE A 16 5.024 -2.028 6.568 1.00 0.00 C ATOM 199 CG2 ILE A 16 3.854 -4.093 7.380 1.00 0.00 C ATOM 200 CD1 ILE A 16 5.414 -2.200 5.117 1.00 0.00 C ATOM 0 H ILE A 16 7.508 -2.595 8.139 1.00 0.00 H new ATOM 0 HA ILE A 16 4.846 -2.276 9.260 1.00 0.00 H new ATOM 0 HB ILE A 16 5.935 -3.928 6.944 1.00 0.00 H new ATOM 0 HG12 ILE A 16 3.993 -1.678 6.620 1.00 0.00 H new ATOM 0 HG13 ILE A 16 5.646 -1.252 7.014 1.00 0.00 H new ATOM 0 HG21 ILE A 16 3.577 -4.322 6.351 1.00 0.00 H new ATOM 0 HG22 ILE A 16 3.982 -5.022 7.936 1.00 0.00 H new ATOM 0 HG23 ILE A 16 3.067 -3.498 7.843 1.00 0.00 H new ATOM 0 HD11 ILE A 16 5.294 -1.252 4.593 1.00 0.00 H new ATOM 0 HD12 ILE A 16 6.454 -2.520 5.055 1.00 0.00 H new ATOM 0 HD13 ILE A 16 4.775 -2.953 4.655 1.00 0.00 H new ATOM 212 N ASN A 17 4.466 -4.504 10.365 1.00 0.00 N ATOM 213 CA ASN A 17 4.339 -5.697 11.195 1.00 0.00 C ATOM 214 C ASN A 17 3.539 -6.778 10.473 1.00 0.00 C ATOM 215 O ASN A 17 2.309 -6.798 10.528 1.00 0.00 O ATOM 216 CB ASN A 17 3.664 -5.350 12.523 1.00 0.00 C ATOM 217 CG ASN A 17 3.789 -6.465 13.544 1.00 0.00 C ATOM 218 OD1 ASN A 17 4.806 -7.156 13.604 1.00 0.00 O ATOM 219 ND2 ASN A 17 2.750 -6.646 14.352 1.00 0.00 N ATOM 0 H ASN A 17 3.648 -3.894 10.374 1.00 0.00 H new ATOM 0 HA ASN A 17 5.340 -6.080 11.393 1.00 0.00 H new ATOM 0 HB2 ASN A 17 4.108 -4.440 12.926 1.00 0.00 H new ATOM 0 HB3 ASN A 17 2.609 -5.139 12.347 1.00 0.00 H new ATOM 0 HD21 ASN A 17 2.775 -7.382 15.058 1.00 0.00 H new ATOM 0 HD22 ASN A 17 1.927 -6.049 14.266 1.00 0.00 H new ATOM 226 N LYS A 18 4.246 -7.677 9.797 1.00 0.00 N ATOM 227 CA LYS A 18 3.605 -8.763 9.066 1.00 0.00 C ATOM 228 C LYS A 18 2.812 -9.661 10.010 1.00 0.00 C ATOM 229 O LYS A 18 1.831 -10.287 9.609 1.00 0.00 O ATOM 230 CB LYS A 18 4.653 -9.591 8.318 1.00 0.00 C ATOM 231 CG LYS A 18 5.443 -8.792 7.296 1.00 0.00 C ATOM 232 CD LYS A 18 5.089 -9.199 5.875 1.00 0.00 C ATOM 233 CE LYS A 18 5.787 -10.490 5.476 1.00 0.00 C ATOM 234 NZ LYS A 18 7.250 -10.293 5.282 1.00 0.00 N ATOM 0 H LYS A 18 5.264 -7.675 9.740 1.00 0.00 H new ATOM 0 HA LYS A 18 2.915 -8.324 8.345 1.00 0.00 H new ATOM 0 HB2 LYS A 18 5.344 -10.025 9.040 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.157 -10.420 7.814 1.00 0.00 H new ATOM 0 HG2 LYS A 18 5.244 -7.729 7.431 1.00 0.00 H new ATOM 0 HG3 LYS A 18 6.510 -8.940 7.463 1.00 0.00 H new ATOM 0 HD2 LYS A 18 4.010 -9.326 5.790 1.00 0.00 H new ATOM 0 HD3 LYS A 18 5.372 -8.403 5.186 1.00 0.00 H new ATOM 0 HE2 LYS A 18 5.621 -11.245 6.245 1.00 0.00 H new ATOM 0 HE3 LYS A 18 5.347 -10.871 4.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 7.643 -11.102 4.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 7.414 -9.419 4.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 7.716 -10.221 6.209 1.00 0.00 H new ATOM 248 N ALA A 19 3.244 -9.719 11.266 1.00 0.00 N ATOM 249 CA ALA A 19 2.572 -10.537 12.268 1.00 0.00 C ATOM 250 C ALA A 19 1.215 -9.948 12.638 1.00 0.00 C ATOM 251 O ALA A 19 0.321 -10.660 13.094 1.00 0.00 O ATOM 252 CB ALA A 19 3.444 -10.677 13.506 1.00 0.00 C ATOM 0 H ALA A 19 4.056 -9.209 11.613 1.00 0.00 H new ATOM 0 HA ALA A 19 2.405 -11.526 11.841 1.00 0.00 H new ATOM 0 HB1 ALA A 19 2.930 -11.290 14.246 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.388 -11.151 13.235 1.00 0.00 H new ATOM 0 HB3 ALA A 19 3.641 -9.691 13.926 1.00 0.00 H new ATOM 258 N GLY A 20 1.067 -8.642 12.438 1.00 0.00 N ATOM 259 CA GLY A 20 -0.184 -7.979 12.756 1.00 0.00 C ATOM 260 C GLY A 20 -0.986 -7.629 11.519 1.00 0.00 C ATOM 261 O GLY A 20 -2.066 -7.044 11.616 1.00 0.00 O ATOM 0 H GLY A 20 1.792 -8.031 12.061 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -0.780 -8.625 13.401 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.024 -7.070 13.320 1.00 0.00 H new ATOM 265 N CYS A 21 -0.458 -7.985 10.353 1.00 0.00 N ATOM 266 CA CYS A 21 -1.132 -7.703 9.090 1.00 0.00 C ATOM 267 C CYS A 21 -2.312 -8.646 8.881 1.00 0.00 C ATOM 268 O CYS A 21 -2.337 -9.753 9.418 1.00 0.00 O ATOM 269 CB CYS A 21 -0.149 -7.829 7.925 1.00 0.00 C ATOM 270 SG CYS A 21 0.969 -6.419 7.746 1.00 0.00 S ATOM 0 H CYS A 21 0.434 -8.469 10.256 1.00 0.00 H new ATOM 0 HA CYS A 21 -1.510 -6.681 9.128 1.00 0.00 H new ATOM 0 HB2 CYS A 21 0.444 -8.734 8.060 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -0.712 -7.952 7.000 1.00 0.00 H new ATOM 0 HG CYS A 21 1.627 -6.244 8.853 1.00 0.00 H new ATOM 276 N GLU A 22 -3.289 -8.198 8.098 1.00 0.00 N ATOM 277 CA GLU A 22 -4.474 -9.001 7.821 1.00 0.00 C ATOM 278 C GLU A 22 -4.891 -8.868 6.359 1.00 0.00 C ATOM 279 O GLU A 22 -4.920 -7.767 5.809 1.00 0.00 O ATOM 280 CB GLU A 22 -5.628 -8.581 8.733 1.00 0.00 C ATOM 281 CG GLU A 22 -6.977 -9.131 8.301 1.00 0.00 C ATOM 282 CD GLU A 22 -7.773 -9.699 9.460 1.00 0.00 C ATOM 283 OE1 GLU A 22 -7.610 -9.200 10.593 1.00 0.00 O ATOM 284 OE2 GLU A 22 -8.560 -10.642 9.232 1.00 0.00 O ATOM 0 H GLU A 22 -3.283 -7.284 7.645 1.00 0.00 H new ATOM 0 HA GLU A 22 -4.228 -10.045 8.017 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -5.417 -8.915 9.749 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -5.681 -7.493 8.760 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -7.553 -8.338 7.824 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -6.825 -9.909 7.553 1.00 0.00 H new ATOM 291 N CYS A 23 -5.212 -9.997 5.737 1.00 0.00 N ATOM 292 CA CYS A 23 -5.627 -10.008 4.338 1.00 0.00 C ATOM 293 C CYS A 23 -7.030 -10.588 4.191 1.00 0.00 C ATOM 294 O CYS A 23 -7.377 -11.574 4.843 1.00 0.00 O ATOM 295 CB CYS A 23 -4.637 -10.815 3.497 1.00 0.00 C ATOM 296 SG CYS A 23 -4.207 -12.423 4.205 1.00 0.00 S ATOM 0 H CYS A 23 -5.193 -10.916 6.179 1.00 0.00 H new ATOM 0 HA CYS A 23 -5.641 -8.978 3.981 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -5.060 -10.968 2.504 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -3.726 -10.231 3.368 1.00 0.00 H new ATOM 0 HG CYS A 23 -3.367 -13.031 3.421 1.00 0.00 H new ATOM 302 N LEU A 24 -7.833 -9.970 3.333 1.00 0.00 N ATOM 303 CA LEU A 24 -9.200 -10.424 3.101 1.00 0.00 C ATOM 304 C LEU A 24 -9.327 -11.093 1.736 1.00 0.00 C ATOM 305 O LEU A 24 -8.864 -10.562 0.728 1.00 0.00 O ATOM 306 CB LEU A 24 -10.172 -9.247 3.198 1.00 0.00 C ATOM 307 CG LEU A 24 -10.071 -8.395 4.463 1.00 0.00 C ATOM 308 CD1 LEU A 24 -11.278 -7.479 4.588 1.00 0.00 C ATOM 309 CD2 LEU A 24 -9.942 -9.281 5.694 1.00 0.00 C ATOM 0 H LEU A 24 -7.562 -9.153 2.786 1.00 0.00 H new ATOM 0 HA LEU A 24 -9.449 -11.157 3.868 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -10.015 -8.600 2.335 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -11.188 -9.634 3.125 1.00 0.00 H new ATOM 0 HG LEU A 24 -9.177 -7.776 4.390 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -11.188 -6.880 5.494 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -11.326 -6.820 3.721 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -12.187 -8.079 4.638 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -9.871 -8.657 6.585 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -10.817 -9.926 5.771 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -9.045 -9.895 5.608 1.00 0.00 H new ATOM 321 N ASN A 25 -9.961 -12.261 1.713 1.00 0.00 N ATOM 322 CA ASN A 25 -10.152 -13.002 0.471 1.00 0.00 C ATOM 323 C ASN A 25 -8.810 -13.387 -0.144 1.00 0.00 C ATOM 324 O ASN A 25 -8.654 -13.390 -1.365 1.00 0.00 O ATOM 325 CB ASN A 25 -10.962 -12.170 -0.525 1.00 0.00 C ATOM 326 CG ASN A 25 -11.752 -13.032 -1.491 1.00 0.00 C ATOM 327 OD1 ASN A 25 -12.601 -13.824 -1.082 1.00 0.00 O ATOM 328 ND2 ASN A 25 -11.474 -12.882 -2.781 1.00 0.00 N ATOM 0 H ASN A 25 -10.351 -12.714 2.539 1.00 0.00 H new ATOM 0 HA ASN A 25 -10.701 -13.915 0.703 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -11.646 -11.520 0.021 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -10.288 -11.524 -1.087 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -11.972 -13.436 -3.478 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -10.762 -12.213 -3.075 1.00 0.00 H new ATOM 335 N GLU A 26 -7.844 -13.712 0.711 1.00 0.00 N ATOM 336 CA GLU A 26 -6.516 -14.098 0.251 1.00 0.00 C ATOM 337 C GLU A 26 -6.540 -15.489 -0.377 1.00 0.00 C ATOM 338 O GLU A 26 -7.126 -16.420 0.175 1.00 0.00 O ATOM 339 CB GLU A 26 -5.521 -14.068 1.412 1.00 0.00 C ATOM 340 CG GLU A 26 -4.128 -14.542 1.033 1.00 0.00 C ATOM 341 CD GLU A 26 -3.631 -15.664 1.925 1.00 0.00 C ATOM 342 OE1 GLU A 26 -4.400 -16.617 2.165 1.00 0.00 O ATOM 343 OE2 GLU A 26 -2.471 -15.588 2.382 1.00 0.00 O ATOM 0 H GLU A 26 -7.957 -13.715 1.725 1.00 0.00 H new ATOM 0 HA GLU A 26 -6.200 -13.381 -0.507 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.457 -13.051 1.798 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.900 -14.692 2.221 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -4.133 -14.881 -0.003 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -3.435 -13.703 1.090 1.00 0.00 H new ATOM 350 N SER A 27 -5.900 -15.621 -1.534 1.00 0.00 N ATOM 351 CA SER A 27 -5.852 -16.896 -2.240 1.00 0.00 C ATOM 352 C SER A 27 -5.279 -17.991 -1.344 1.00 0.00 C ATOM 353 O SER A 27 -4.570 -17.710 -0.378 1.00 0.00 O ATOM 354 CB SER A 27 -5.009 -16.769 -3.510 1.00 0.00 C ATOM 355 OG SER A 27 -4.414 -18.008 -3.854 1.00 0.00 O ATOM 0 H SER A 27 -5.407 -14.861 -2.003 1.00 0.00 H new ATOM 0 HA SER A 27 -6.871 -17.170 -2.515 1.00 0.00 H new ATOM 0 HB2 SER A 27 -5.635 -16.422 -4.332 1.00 0.00 H new ATOM 0 HB3 SER A 27 -4.233 -16.018 -3.361 1.00 0.00 H new ATOM 0 HG SER A 27 -3.906 -17.907 -4.686 1.00 0.00 H new ATOM 361 N ASP A 28 -5.593 -19.239 -1.673 1.00 0.00 N ATOM 362 CA ASP A 28 -5.110 -20.378 -0.901 1.00 0.00 C ATOM 363 C ASP A 28 -3.673 -20.723 -1.281 1.00 0.00 C ATOM 364 O ASP A 28 -2.836 -20.976 -0.416 1.00 0.00 O ATOM 365 CB ASP A 28 -6.014 -21.592 -1.121 1.00 0.00 C ATOM 366 CG ASP A 28 -7.011 -21.783 0.006 1.00 0.00 C ATOM 367 OD1 ASP A 28 -6.574 -22.042 1.146 1.00 0.00 O ATOM 368 OD2 ASP A 28 -8.228 -21.674 -0.254 1.00 0.00 O ATOM 0 H ASP A 28 -6.180 -19.488 -2.469 1.00 0.00 H new ATOM 0 HA ASP A 28 -5.132 -20.105 0.154 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -6.552 -21.475 -2.062 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -5.399 -22.487 -1.214 1.00 0.00 H new ATOM 373 N GLU A 29 -3.397 -20.732 -2.582 1.00 0.00 N ATOM 374 CA GLU A 29 -2.062 -21.048 -3.076 1.00 0.00 C ATOM 375 C GLU A 29 -1.156 -19.821 -3.018 1.00 0.00 C ATOM 376 O GLU A 29 0.053 -19.938 -2.815 1.00 0.00 O ATOM 377 CB GLU A 29 -2.136 -21.573 -4.511 1.00 0.00 C ATOM 378 CG GLU A 29 -3.159 -22.681 -4.701 1.00 0.00 C ATOM 379 CD GLU A 29 -2.684 -23.754 -5.662 1.00 0.00 C ATOM 380 OE1 GLU A 29 -2.595 -23.468 -6.874 1.00 0.00 O ATOM 381 OE2 GLU A 29 -2.402 -24.880 -5.201 1.00 0.00 O ATOM 0 H GLU A 29 -4.079 -20.524 -3.311 1.00 0.00 H new ATOM 0 HA GLU A 29 -1.639 -21.822 -2.435 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -2.379 -20.747 -5.179 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -1.154 -21.942 -4.805 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -3.381 -23.135 -3.735 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -4.090 -22.252 -5.072 1.00 0.00 H new ATOM 388 N HIS A 30 -1.749 -18.646 -3.198 1.00 0.00 N ATOM 389 CA HIS A 30 -0.996 -17.397 -3.166 1.00 0.00 C ATOM 390 C HIS A 30 -1.267 -16.632 -1.874 1.00 0.00 C ATOM 391 O HIS A 30 -2.370 -16.682 -1.331 1.00 0.00 O ATOM 392 CB HIS A 30 -1.357 -16.528 -4.372 1.00 0.00 C ATOM 393 CG HIS A 30 -1.297 -17.261 -5.677 1.00 0.00 C ATOM 394 ND1 HIS A 30 -2.376 -17.371 -6.528 1.00 0.00 N ATOM 395 CD2 HIS A 30 -0.278 -17.921 -6.275 1.00 0.00 C ATOM 396 CE1 HIS A 30 -2.024 -18.069 -7.593 1.00 0.00 C ATOM 397 NE2 HIS A 30 -0.755 -18.414 -7.465 1.00 0.00 N ATOM 0 H HIS A 30 -2.748 -18.532 -3.368 1.00 0.00 H new ATOM 0 HA HIS A 30 0.066 -17.641 -3.208 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -2.362 -16.129 -4.234 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -0.679 -15.676 -4.412 1.00 0.00 H new ATOM 0 HD2 HIS A 30 0.724 -18.038 -5.889 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -2.665 -18.316 -8.427 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -0.217 -18.958 -8.140 1.00 0.00 H new ATOM 405 N GLY A 31 -0.253 -15.924 -1.387 1.00 0.00 N ATOM 406 CA GLY A 31 -0.402 -15.159 -0.162 1.00 0.00 C ATOM 407 C GLY A 31 -0.438 -13.665 -0.412 1.00 0.00 C ATOM 408 O GLY A 31 0.086 -13.183 -1.416 1.00 0.00 O ATOM 0 H GLY A 31 0.669 -15.866 -1.819 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -1.320 -15.462 0.342 1.00 0.00 H new ATOM 0 HA3 GLY A 31 0.423 -15.392 0.511 1.00 0.00 H new ATOM 412 N PHE A 32 -1.061 -12.929 0.502 1.00 0.00 N ATOM 413 CA PHE A 32 -1.167 -11.480 0.374 1.00 0.00 C ATOM 414 C PHE A 32 0.066 -10.791 0.954 1.00 0.00 C ATOM 415 O PHE A 32 0.225 -9.577 0.834 1.00 0.00 O ATOM 416 CB PHE A 32 -2.426 -10.975 1.081 1.00 0.00 C ATOM 417 CG PHE A 32 -3.377 -10.252 0.170 1.00 0.00 C ATOM 418 CD1 PHE A 32 -2.981 -9.103 -0.495 1.00 0.00 C ATOM 419 CD2 PHE A 32 -4.666 -10.722 -0.022 1.00 0.00 C ATOM 420 CE1 PHE A 32 -3.853 -8.436 -1.335 1.00 0.00 C ATOM 421 CE2 PHE A 32 -5.542 -10.060 -0.861 1.00 0.00 C ATOM 422 CZ PHE A 32 -5.135 -8.915 -1.517 1.00 0.00 C ATOM 0 H PHE A 32 -1.500 -13.312 1.339 1.00 0.00 H new ATOM 0 HA PHE A 32 -1.232 -11.238 -0.687 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.942 -11.821 1.534 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -2.134 -10.308 1.892 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -1.979 -8.724 -0.356 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -4.990 -11.616 0.490 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -3.532 -7.542 -1.848 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -6.544 -10.438 -1.004 1.00 0.00 H new ATOM 0 HZ PHE A 32 -5.819 -8.395 -2.172 1.00 0.00 H new ATOM 432 N ASP A 33 0.934 -11.577 1.581 1.00 0.00 N ATOM 433 CA ASP A 33 2.153 -11.045 2.179 1.00 0.00 C ATOM 434 C ASP A 33 3.320 -11.131 1.201 1.00 0.00 C ATOM 435 O ASP A 33 4.394 -10.585 1.452 1.00 0.00 O ATOM 436 CB ASP A 33 2.490 -11.803 3.464 1.00 0.00 C ATOM 437 CG ASP A 33 1.423 -11.641 4.529 1.00 0.00 C ATOM 438 OD1 ASP A 33 0.442 -10.910 4.280 1.00 0.00 O ATOM 439 OD2 ASP A 33 1.570 -12.245 5.612 1.00 0.00 O ATOM 0 H ASP A 33 0.816 -12.584 1.688 1.00 0.00 H new ATOM 0 HA ASP A 33 1.982 -9.996 2.421 1.00 0.00 H new ATOM 0 HB2 ASP A 33 2.614 -12.862 3.236 1.00 0.00 H new ATOM 0 HB3 ASP A 33 3.444 -11.447 3.853 1.00 0.00 H new ATOM 444 N ASN A 34 3.102 -11.822 0.087 1.00 0.00 N ATOM 445 CA ASN A 34 4.137 -11.982 -0.928 1.00 0.00 C ATOM 446 C ASN A 34 4.212 -10.751 -1.827 1.00 0.00 C ATOM 447 O ASN A 34 5.250 -10.470 -2.427 1.00 0.00 O ATOM 448 CB ASN A 34 3.865 -13.228 -1.772 1.00 0.00 C ATOM 449 CG ASN A 34 4.031 -14.511 -0.980 1.00 0.00 C ATOM 450 OD1 ASN A 34 4.959 -14.644 -0.182 1.00 0.00 O ATOM 451 ND2 ASN A 34 3.131 -15.462 -1.198 1.00 0.00 N ATOM 0 H ASN A 34 2.218 -12.280 -0.136 1.00 0.00 H new ATOM 0 HA ASN A 34 5.094 -12.098 -0.420 1.00 0.00 H new ATOM 0 HB2 ASN A 34 2.852 -13.179 -2.171 1.00 0.00 H new ATOM 0 HB3 ASN A 34 4.543 -13.241 -2.625 1.00 0.00 H new ATOM 0 HD21 ASN A 34 3.192 -16.347 -0.694 1.00 0.00 H new ATOM 0 HD22 ASN A 34 2.378 -15.308 -1.869 1.00 0.00 H new ATOM 458 N CYS A 35 3.105 -10.023 -1.916 1.00 0.00 N ATOM 459 CA CYS A 35 3.044 -8.822 -2.742 1.00 0.00 C ATOM 460 C CYS A 35 3.856 -7.691 -2.118 1.00 0.00 C ATOM 461 O CYS A 35 4.161 -6.695 -2.776 1.00 0.00 O ATOM 462 CB CYS A 35 1.592 -8.380 -2.930 1.00 0.00 C ATOM 463 SG CYS A 35 0.858 -7.616 -1.465 1.00 0.00 S ATOM 0 H CYS A 35 2.237 -10.243 -1.427 1.00 0.00 H new ATOM 0 HA CYS A 35 3.473 -9.059 -3.716 1.00 0.00 H new ATOM 0 HB2 CYS A 35 1.543 -7.673 -3.758 1.00 0.00 H new ATOM 0 HB3 CYS A 35 0.994 -9.246 -3.214 1.00 0.00 H new ATOM 0 HG CYS A 35 0.632 -8.528 -0.567 1.00 0.00 H new ATOM 469 N LEU A 36 4.202 -7.850 -0.845 1.00 0.00 N ATOM 470 CA LEU A 36 4.977 -6.842 -0.131 1.00 0.00 C ATOM 471 C LEU A 36 6.411 -6.790 -0.650 1.00 0.00 C ATOM 472 O LEU A 36 7.079 -5.761 -0.553 1.00 0.00 O ATOM 473 CB LEU A 36 4.976 -7.138 1.369 1.00 0.00 C ATOM 474 CG LEU A 36 3.684 -6.804 2.118 1.00 0.00 C ATOM 475 CD1 LEU A 36 3.473 -7.770 3.273 1.00 0.00 C ATOM 476 CD2 LEU A 36 3.714 -5.368 2.620 1.00 0.00 C ATOM 0 H LEU A 36 3.958 -8.668 -0.286 1.00 0.00 H new ATOM 0 HA LEU A 36 4.512 -5.871 -0.304 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.191 -8.197 1.510 1.00 0.00 H new ATOM 0 HB3 LEU A 36 5.793 -6.583 1.829 1.00 0.00 H new ATOM 0 HG LEU A 36 2.848 -6.908 1.426 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.550 -7.518 3.794 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.406 -8.788 2.889 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.312 -7.698 3.965 1.00 0.00 H new ATOM 0 HD21 LEU A 36 2.787 -5.148 3.150 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.559 -5.237 3.296 1.00 0.00 H new ATOM 0 HD23 LEU A 36 3.818 -4.689 1.774 1.00 0.00 H new ATOM 594 N LEU A 43 0.375 -12.423 -5.682 1.00 0.00 N ATOM 595 CA LEU A 43 -0.936 -12.581 -5.064 1.00 0.00 C ATOM 596 C LEU A 43 -2.046 -12.475 -6.106 1.00 0.00 C ATOM 597 O LEU A 43 -2.130 -11.490 -6.837 1.00 0.00 O ATOM 598 CB LEU A 43 -1.140 -11.525 -3.976 1.00 0.00 C ATOM 599 CG LEU A 43 -2.486 -11.559 -3.251 1.00 0.00 C ATOM 600 CD1 LEU A 43 -3.546 -10.824 -4.057 1.00 0.00 C ATOM 601 CD2 LEU A 43 -2.914 -12.996 -2.990 1.00 0.00 C ATOM 0 HA LEU A 43 -0.980 -13.572 -4.612 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.348 -11.638 -3.235 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.017 -10.540 -4.426 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.373 -11.054 -2.292 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -4.497 -10.859 -3.525 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.244 -9.785 -4.193 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -3.658 -11.300 -5.031 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -3.874 -13.002 -2.473 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -3.009 -13.525 -3.938 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.166 -13.492 -2.371 1.00 0.00 H new ATOM 613 N GLU A 44 -2.894 -13.497 -6.165 1.00 0.00 N ATOM 614 CA GLU A 44 -3.999 -13.517 -7.117 1.00 0.00 C ATOM 615 C GLU A 44 -5.336 -13.655 -6.395 1.00 0.00 C ATOM 616 O GLU A 44 -5.427 -14.301 -5.351 1.00 0.00 O ATOM 617 CB GLU A 44 -3.823 -14.666 -8.112 1.00 0.00 C ATOM 618 CG GLU A 44 -4.850 -14.665 -9.231 1.00 0.00 C ATOM 619 CD GLU A 44 -4.529 -15.671 -10.319 1.00 0.00 C ATOM 620 OE1 GLU A 44 -3.337 -16.002 -10.489 1.00 0.00 O ATOM 621 OE2 GLU A 44 -5.471 -16.128 -11.001 1.00 0.00 O ATOM 0 H GLU A 44 -2.837 -14.321 -5.566 1.00 0.00 H new ATOM 0 HA GLU A 44 -3.995 -12.572 -7.660 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -2.825 -14.610 -8.546 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -3.884 -15.613 -7.575 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -5.834 -14.886 -8.816 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -4.905 -13.668 -9.668 1.00 0.00 H new ATOM 628 N SER A 45 -6.372 -13.043 -6.960 1.00 0.00 N ATOM 629 CA SER A 45 -7.705 -13.094 -6.369 1.00 0.00 C ATOM 630 C SER A 45 -8.510 -14.255 -6.942 1.00 0.00 C ATOM 631 O SER A 45 -8.576 -14.439 -8.158 1.00 0.00 O ATOM 632 CB SER A 45 -8.444 -11.776 -6.612 1.00 0.00 C ATOM 633 OG SER A 45 -7.562 -10.779 -7.099 1.00 0.00 O ATOM 0 H SER A 45 -6.314 -12.506 -7.826 1.00 0.00 H new ATOM 0 HA SER A 45 -7.594 -13.248 -5.296 1.00 0.00 H new ATOM 0 HB2 SER A 45 -9.250 -11.934 -7.328 1.00 0.00 H new ATOM 0 HB3 SER A 45 -8.904 -11.437 -5.684 1.00 0.00 H new ATOM 0 HG SER A 45 -7.584 -10.773 -8.079 1.00 0.00 H new ATOM 639 N ASP A 46 -9.120 -15.037 -6.059 1.00 0.00 N ATOM 640 CA ASP A 46 -9.923 -16.181 -6.475 1.00 0.00 C ATOM 641 C ASP A 46 -11.395 -15.800 -6.589 1.00 0.00 C ATOM 642 O ASP A 46 -12.275 -16.661 -6.554 1.00 0.00 O ATOM 643 CB ASP A 46 -9.757 -17.335 -5.486 1.00 0.00 C ATOM 644 CG ASP A 46 -9.973 -18.689 -6.133 1.00 0.00 C ATOM 645 OD1 ASP A 46 -9.562 -18.861 -7.299 1.00 0.00 O ATOM 646 OD2 ASP A 46 -10.555 -19.576 -5.474 1.00 0.00 O ATOM 0 H ASP A 46 -9.074 -14.900 -5.049 1.00 0.00 H new ATOM 0 HA ASP A 46 -9.573 -16.501 -7.456 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -8.757 -17.298 -5.054 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -10.464 -17.211 -4.666 1.00 0.00 H new ATOM 651 N CYS A 47 -11.657 -14.504 -6.724 1.00 0.00 N ATOM 652 CA CYS A 47 -13.024 -14.008 -6.841 1.00 0.00 C ATOM 653 C CYS A 47 -13.087 -12.804 -7.775 1.00 0.00 C ATOM 654 O CYS A 47 -13.711 -12.860 -8.835 1.00 0.00 O ATOM 655 CB CYS A 47 -13.570 -13.630 -5.464 1.00 0.00 C ATOM 656 SG CYS A 47 -15.322 -13.181 -5.463 1.00 0.00 S ATOM 0 H CYS A 47 -10.941 -13.778 -6.755 1.00 0.00 H new ATOM 0 HA CYS A 47 -13.639 -14.804 -7.262 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -13.420 -14.468 -4.783 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -12.991 -12.793 -5.072 1.00 0.00 H new ATOM 0 HG CYS A 47 -15.692 -12.880 -4.254 1.00 0.00 H new ATOM 662 N ASP A 48 -12.439 -11.716 -7.374 1.00 0.00 N ATOM 663 CA ASP A 48 -12.422 -10.498 -8.175 1.00 0.00 C ATOM 664 C ASP A 48 -11.599 -9.410 -7.491 1.00 0.00 C ATOM 665 O ASP A 48 -10.910 -9.667 -6.505 1.00 0.00 O ATOM 666 CB ASP A 48 -13.848 -10.000 -8.415 1.00 0.00 C ATOM 667 CG ASP A 48 -14.216 -9.987 -9.886 1.00 0.00 C ATOM 668 OD1 ASP A 48 -14.692 -11.027 -10.387 1.00 0.00 O ATOM 669 OD2 ASP A 48 -14.028 -8.937 -10.536 1.00 0.00 O ATOM 0 H ASP A 48 -11.919 -11.653 -6.499 1.00 0.00 H new ATOM 0 HA ASP A 48 -11.960 -10.730 -9.135 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -14.548 -10.636 -7.874 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -13.952 -8.994 -8.008 1.00 0.00 H new ATOM 674 N GLU A 49 -11.676 -8.194 -8.024 1.00 0.00 N ATOM 675 CA GLU A 49 -10.936 -7.068 -7.466 1.00 0.00 C ATOM 676 C GLU A 49 -11.647 -6.505 -6.239 1.00 0.00 C ATOM 677 O GLU A 49 -11.974 -5.320 -6.188 1.00 0.00 O ATOM 678 CB GLU A 49 -10.765 -5.970 -8.518 1.00 0.00 C ATOM 679 CG GLU A 49 -12.048 -5.627 -9.255 1.00 0.00 C ATOM 680 CD GLU A 49 -12.192 -6.385 -10.560 1.00 0.00 C ATOM 681 OE1 GLU A 49 -11.503 -7.413 -10.727 1.00 0.00 O ATOM 682 OE2 GLU A 49 -12.992 -5.950 -11.414 1.00 0.00 O ATOM 0 H GLU A 49 -12.243 -7.964 -8.840 1.00 0.00 H new ATOM 0 HA GLU A 49 -9.953 -7.427 -7.162 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -10.383 -5.071 -8.034 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -10.014 -6.286 -9.242 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -12.901 -5.849 -8.614 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -12.071 -4.556 -9.457 1.00 0.00 H new ATOM 689 N GLN A 50 -11.883 -7.364 -5.252 1.00 0.00 N ATOM 690 CA GLN A 50 -12.556 -6.953 -4.026 1.00 0.00 C ATOM 691 C GLN A 50 -11.802 -7.451 -2.798 1.00 0.00 C ATOM 692 O GLN A 50 -12.408 -7.848 -1.802 1.00 0.00 O ATOM 693 CB GLN A 50 -13.992 -7.480 -4.006 1.00 0.00 C ATOM 694 CG GLN A 50 -14.906 -6.794 -5.008 1.00 0.00 C ATOM 695 CD GLN A 50 -15.868 -5.824 -4.352 1.00 0.00 C ATOM 696 OE1 GLN A 50 -16.812 -6.232 -3.674 1.00 0.00 O ATOM 697 NE2 GLN A 50 -15.635 -4.532 -4.549 1.00 0.00 N ATOM 0 H GLN A 50 -11.618 -8.349 -5.278 1.00 0.00 H new ATOM 0 HA GLN A 50 -12.576 -5.863 -4.000 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -13.980 -8.550 -4.211 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -14.403 -7.352 -3.005 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -14.300 -6.260 -5.740 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -15.473 -7.549 -5.553 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -14.841 -4.238 -5.118 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -16.250 -3.833 -4.131 1.00 0.00 H new ATOM 706 N LEU A 51 -10.476 -7.428 -2.874 1.00 0.00 N ATOM 707 CA LEU A 51 -9.637 -7.877 -1.768 1.00 0.00 C ATOM 708 C LEU A 51 -9.158 -6.695 -0.933 1.00 0.00 C ATOM 709 O LEU A 51 -8.985 -5.588 -1.445 1.00 0.00 O ATOM 710 CB LEU A 51 -8.436 -8.661 -2.299 1.00 0.00 C ATOM 711 CG LEU A 51 -8.721 -9.630 -3.447 1.00 0.00 C ATOM 712 CD1 LEU A 51 -7.954 -9.220 -4.695 1.00 0.00 C ATOM 713 CD2 LEU A 51 -8.365 -11.054 -3.045 1.00 0.00 C ATOM 0 H LEU A 51 -9.958 -7.103 -3.690 1.00 0.00 H new ATOM 0 HA LEU A 51 -10.236 -8.528 -1.131 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -7.680 -7.949 -2.631 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -8.002 -9.225 -1.473 1.00 0.00 H new ATOM 0 HG LEU A 51 -9.787 -9.593 -3.671 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -8.169 -9.921 -5.501 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -8.258 -8.217 -4.996 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -6.885 -9.227 -4.484 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -8.575 -11.729 -3.874 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -7.306 -11.107 -2.793 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.959 -11.347 -2.179 1.00 0.00 H new ATOM 725 N LEU A 52 -8.943 -6.936 0.356 1.00 0.00 N ATOM 726 CA LEU A 52 -8.481 -5.891 1.263 1.00 0.00 C ATOM 727 C LEU A 52 -7.092 -6.215 1.804 1.00 0.00 C ATOM 728 O LEU A 52 -6.708 -7.381 1.898 1.00 0.00 O ATOM 729 CB LEU A 52 -9.465 -5.723 2.422 1.00 0.00 C ATOM 730 CG LEU A 52 -10.408 -4.523 2.334 1.00 0.00 C ATOM 731 CD1 LEU A 52 -11.855 -4.969 2.483 1.00 0.00 C ATOM 732 CD2 LEU A 52 -10.055 -3.488 3.391 1.00 0.00 C ATOM 0 H LEU A 52 -9.081 -7.846 0.796 1.00 0.00 H new ATOM 0 HA LEU A 52 -8.425 -4.957 0.704 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -10.068 -6.628 2.495 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -8.895 -5.644 3.348 1.00 0.00 H new ATOM 0 HG LEU A 52 -10.290 -4.064 1.352 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -12.512 -4.101 2.418 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -12.103 -5.672 1.688 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -11.989 -5.453 3.450 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -10.737 -2.641 3.313 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -10.143 -3.935 4.381 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -9.032 -3.145 3.237 1.00 0.00 H new ATOM 744 N ILE A 53 -6.344 -5.176 2.159 1.00 0.00 N ATOM 745 CA ILE A 53 -4.999 -5.350 2.693 1.00 0.00 C ATOM 746 C ILE A 53 -4.787 -4.496 3.938 1.00 0.00 C ATOM 747 O ILE A 53 -4.809 -3.266 3.874 1.00 0.00 O ATOM 748 CB ILE A 53 -3.927 -4.987 1.648 1.00 0.00 C ATOM 749 CG1 ILE A 53 -4.143 -5.791 0.364 1.00 0.00 C ATOM 750 CG2 ILE A 53 -2.535 -5.238 2.208 1.00 0.00 C ATOM 751 CD1 ILE A 53 -4.749 -4.982 -0.761 1.00 0.00 C ATOM 0 H ILE A 53 -6.647 -4.205 2.086 1.00 0.00 H new ATOM 0 HA ILE A 53 -4.898 -6.403 2.955 1.00 0.00 H new ATOM 0 HB ILE A 53 -4.016 -3.927 1.411 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -3.187 -6.197 0.034 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -4.792 -6.639 0.581 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.789 -4.977 1.458 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.385 -4.626 3.098 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -2.433 -6.291 2.470 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -4.873 -5.616 -1.639 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -5.720 -4.598 -0.450 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.090 -4.149 -1.006 1.00 0.00 H new ATOM 763 N THR A 54 -4.581 -5.156 5.074 1.00 0.00 N ATOM 764 CA THR A 54 -4.364 -4.459 6.335 1.00 0.00 C ATOM 765 C THR A 54 -2.881 -4.401 6.683 1.00 0.00 C ATOM 766 O THR A 54 -2.131 -5.338 6.408 1.00 0.00 O ATOM 767 CB THR A 54 -5.124 -5.138 7.490 1.00 0.00 C ATOM 768 OG1 THR A 54 -6.532 -5.125 7.224 1.00 0.00 O ATOM 769 CG2 THR A 54 -4.846 -4.433 8.809 1.00 0.00 C ATOM 0 H THR A 54 -4.560 -6.173 5.146 1.00 0.00 H new ATOM 0 HA THR A 54 -4.744 -3.446 6.205 1.00 0.00 H new ATOM 0 HB THR A 54 -4.778 -6.169 7.567 1.00 0.00 H new ATOM 0 HG1 THR A 54 -7.008 -5.560 7.962 1.00 0.00 H new ATOM 0 HG21 THR A 54 -5.393 -4.930 9.610 1.00 0.00 H new ATOM 0 HG22 THR A 54 -3.778 -4.469 9.023 1.00 0.00 H new ATOM 0 HG23 THR A 54 -5.167 -3.394 8.741 1.00 0.00 H new ATOM 777 N VAL A 55 -2.464 -3.294 7.290 1.00 0.00 N ATOM 778 CA VAL A 55 -1.069 -3.115 7.678 1.00 0.00 C ATOM 779 C VAL A 55 -0.960 -2.533 9.083 1.00 0.00 C ATOM 780 O VAL A 55 -1.510 -1.470 9.370 1.00 0.00 O ATOM 781 CB VAL A 55 -0.328 -2.192 6.693 1.00 0.00 C ATOM 782 CG1 VAL A 55 1.177 -2.370 6.824 1.00 0.00 C ATOM 783 CG2 VAL A 55 -0.783 -2.460 5.267 1.00 0.00 C ATOM 0 H VAL A 55 -3.071 -2.508 7.524 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.605 -4.101 7.660 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.570 -1.158 6.939 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.684 -1.710 6.120 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.486 -2.123 7.840 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.441 -3.405 6.606 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -0.249 -1.799 4.584 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.572 -3.497 5.007 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.854 -2.276 5.186 1.00 0.00 H new ATOM 793 N ALA A 56 -0.247 -3.238 9.955 1.00 0.00 N ATOM 794 CA ALA A 56 -0.064 -2.790 11.331 1.00 0.00 C ATOM 795 C ALA A 56 1.345 -2.248 11.548 1.00 0.00 C ATOM 796 O ALA A 56 2.323 -2.993 11.493 1.00 0.00 O ATOM 797 CB ALA A 56 -0.348 -3.929 12.299 1.00 0.00 C ATOM 0 H ALA A 56 0.213 -4.121 9.734 1.00 0.00 H new ATOM 0 HA ALA A 56 -0.770 -1.982 11.521 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -0.208 -3.580 13.322 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -1.375 -4.269 12.169 1.00 0.00 H new ATOM 0 HB3 ALA A 56 0.335 -4.755 12.100 1.00 0.00 H new ATOM 803 N PHE A 57 1.441 -0.945 11.793 1.00 0.00 N ATOM 804 CA PHE A 57 2.731 -0.303 12.017 1.00 0.00 C ATOM 805 C PHE A 57 3.032 -0.192 13.509 1.00 0.00 C ATOM 806 O PHE A 57 2.272 0.415 14.263 1.00 0.00 O ATOM 807 CB PHE A 57 2.750 1.087 11.378 1.00 0.00 C ATOM 808 CG PHE A 57 3.019 1.063 9.900 1.00 0.00 C ATOM 809 CD1 PHE A 57 4.301 0.846 9.420 1.00 0.00 C ATOM 810 CD2 PHE A 57 1.991 1.258 8.992 1.00 0.00 C ATOM 811 CE1 PHE A 57 4.551 0.824 8.061 1.00 0.00 C ATOM 812 CE2 PHE A 57 2.236 1.237 7.631 1.00 0.00 C ATOM 813 CZ PHE A 57 3.518 1.019 7.166 1.00 0.00 C ATOM 0 H PHE A 57 0.641 -0.314 11.841 1.00 0.00 H new ATOM 0 HA PHE A 57 3.501 -0.920 11.554 1.00 0.00 H new ATOM 0 HB2 PHE A 57 1.791 1.574 11.557 1.00 0.00 H new ATOM 0 HB3 PHE A 57 3.512 1.693 11.868 1.00 0.00 H new ATOM 0 HD1 PHE A 57 5.113 0.693 10.115 1.00 0.00 H new ATOM 0 HD2 PHE A 57 0.987 1.428 9.351 1.00 0.00 H new ATOM 0 HE1 PHE A 57 5.554 0.654 7.699 1.00 0.00 H new ATOM 0 HE2 PHE A 57 1.426 1.391 6.933 1.00 0.00 H new ATOM 0 HZ PHE A 57 3.712 1.001 6.104 1.00 0.00 H new ATOM 823 N ASN A 58 4.146 -0.785 13.927 1.00 0.00 N ATOM 824 CA ASN A 58 4.547 -0.754 15.329 1.00 0.00 C ATOM 825 C ASN A 58 4.820 0.675 15.786 1.00 0.00 C ATOM 826 O ASN A 58 4.746 0.981 16.976 1.00 0.00 O ATOM 827 CB ASN A 58 5.793 -1.616 15.542 1.00 0.00 C ATOM 828 CG ASN A 58 5.525 -3.090 15.305 1.00 0.00 C ATOM 829 OD1 ASN A 58 4.757 -3.718 16.035 1.00 0.00 O ATOM 830 ND2 ASN A 58 6.158 -3.649 14.280 1.00 0.00 N ATOM 0 H ASN A 58 4.786 -1.292 13.316 1.00 0.00 H new ATOM 0 HA ASN A 58 3.728 -1.156 15.925 1.00 0.00 H new ATOM 0 HB2 ASN A 58 6.583 -1.281 14.870 1.00 0.00 H new ATOM 0 HB3 ASN A 58 6.159 -1.475 16.559 1.00 0.00 H new ATOM 0 HD21 ASN A 58 6.017 -4.637 14.071 1.00 0.00 H new ATOM 0 HD22 ASN A 58 6.785 -3.090 13.702 1.00 0.00 H new ATOM 837 N GLN A 59 5.134 1.546 14.832 1.00 0.00 N ATOM 838 CA GLN A 59 5.418 2.943 15.137 1.00 0.00 C ATOM 839 C GLN A 59 4.660 3.871 14.193 1.00 0.00 C ATOM 840 O GLN A 59 4.489 3.586 13.008 1.00 0.00 O ATOM 841 CB GLN A 59 6.920 3.214 15.040 1.00 0.00 C ATOM 842 CG GLN A 59 7.469 3.100 13.627 1.00 0.00 C ATOM 843 CD GLN A 59 8.170 4.363 13.169 1.00 0.00 C ATOM 844 OE1 GLN A 59 9.323 4.326 12.739 1.00 0.00 O ATOM 845 NE2 GLN A 59 7.476 5.492 13.259 1.00 0.00 N ATOM 0 H GLN A 59 5.198 1.309 13.842 1.00 0.00 H new ATOM 0 HA GLN A 59 5.086 3.140 16.156 1.00 0.00 H new ATOM 0 HB2 GLN A 59 7.126 4.214 15.421 1.00 0.00 H new ATOM 0 HB3 GLN A 59 7.450 2.512 15.684 1.00 0.00 H new ATOM 0 HG2 GLN A 59 8.167 2.264 13.579 1.00 0.00 H new ATOM 0 HG3 GLN A 59 6.652 2.873 12.941 1.00 0.00 H new ATOM 0 HE21 GLN A 59 6.523 5.477 13.621 1.00 0.00 H new ATOM 0 HE22 GLN A 59 7.896 6.374 12.966 1.00 0.00 H new ATOM 854 N PRO A 60 4.194 5.009 14.729 1.00 0.00 N ATOM 855 CA PRO A 60 3.447 6.002 13.952 1.00 0.00 C ATOM 856 C PRO A 60 4.326 6.725 12.937 1.00 0.00 C ATOM 857 O PRO A 60 5.181 7.530 13.304 1.00 0.00 O ATOM 858 CB PRO A 60 2.944 6.980 15.016 1.00 0.00 C ATOM 859 CG PRO A 60 3.913 6.850 16.140 1.00 0.00 C ATOM 860 CD PRO A 60 4.361 5.414 16.135 1.00 0.00 C ATOM 0 HA PRO A 60 2.651 5.544 13.364 1.00 0.00 H new ATOM 0 HB2 PRO A 60 2.916 8.000 14.634 1.00 0.00 H new ATOM 0 HB3 PRO A 60 1.932 6.731 15.335 1.00 0.00 H new ATOM 0 HG2 PRO A 60 4.759 7.524 16.006 1.00 0.00 H new ATOM 0 HG3 PRO A 60 3.446 7.110 17.090 1.00 0.00 H new ATOM 0 HD2 PRO A 60 5.396 5.315 16.461 1.00 0.00 H new ATOM 0 HD3 PRO A 60 3.756 4.802 16.804 1.00 0.00 H new ATOM 868 N VAL A 61 4.109 6.433 11.659 1.00 0.00 N ATOM 869 CA VAL A 61 4.881 7.056 10.590 1.00 0.00 C ATOM 870 C VAL A 61 4.010 7.988 9.755 1.00 0.00 C ATOM 871 O VAL A 61 2.860 8.259 10.102 1.00 0.00 O ATOM 872 CB VAL A 61 5.516 6.000 9.667 1.00 0.00 C ATOM 873 CG1 VAL A 61 6.344 5.012 10.475 1.00 0.00 C ATOM 874 CG2 VAL A 61 4.443 5.278 8.866 1.00 0.00 C ATOM 0 H VAL A 61 3.405 5.769 11.338 1.00 0.00 H new ATOM 0 HA VAL A 61 5.673 7.634 11.067 1.00 0.00 H new ATOM 0 HB VAL A 61 6.180 6.507 8.967 1.00 0.00 H new ATOM 0 HG11 VAL A 61 6.785 4.273 9.805 1.00 0.00 H new ATOM 0 HG12 VAL A 61 7.137 5.545 10.999 1.00 0.00 H new ATOM 0 HG13 VAL A 61 5.704 4.509 11.200 1.00 0.00 H new ATOM 0 HG21 VAL A 61 4.910 4.535 8.219 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.752 4.782 9.548 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.897 5.998 8.257 1.00 0.00 H new ATOM 884 N LYS A 62 4.565 8.475 8.650 1.00 0.00 N ATOM 885 CA LYS A 62 3.839 9.376 7.763 1.00 0.00 C ATOM 886 C LYS A 62 3.775 8.810 6.347 1.00 0.00 C ATOM 887 O LYS A 62 4.805 8.562 5.720 1.00 0.00 O ATOM 888 CB LYS A 62 4.507 10.753 7.743 1.00 0.00 C ATOM 889 CG LYS A 62 4.528 11.438 9.098 1.00 0.00 C ATOM 890 CD LYS A 62 4.111 12.896 8.993 1.00 0.00 C ATOM 891 CE LYS A 62 5.319 13.818 8.935 1.00 0.00 C ATOM 892 NZ LYS A 62 4.938 15.209 8.565 1.00 0.00 N ATOM 0 H LYS A 62 5.515 8.261 8.348 1.00 0.00 H new ATOM 0 HA LYS A 62 2.822 9.478 8.142 1.00 0.00 H new ATOM 0 HB2 LYS A 62 5.530 10.646 7.383 1.00 0.00 H new ATOM 0 HB3 LYS A 62 3.984 11.391 7.031 1.00 0.00 H new ATOM 0 HG2 LYS A 62 3.858 10.916 9.781 1.00 0.00 H new ATOM 0 HG3 LYS A 62 5.530 11.375 9.523 1.00 0.00 H new ATOM 0 HD2 LYS A 62 3.501 13.038 8.101 1.00 0.00 H new ATOM 0 HD3 LYS A 62 3.491 13.161 9.849 1.00 0.00 H new ATOM 0 HE2 LYS A 62 5.818 13.824 9.904 1.00 0.00 H new ATOM 0 HE3 LYS A 62 6.035 13.433 8.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 5.240 15.404 7.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 3.906 15.317 8.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 5.401 15.879 9.211 1.00 0.00 H new ATOM 906 N LEU A 63 2.560 8.610 5.850 1.00 0.00 N ATOM 907 CA LEU A 63 2.361 8.075 4.507 1.00 0.00 C ATOM 908 C LEU A 63 2.381 9.191 3.468 1.00 0.00 C ATOM 909 O LEU A 63 1.346 9.781 3.156 1.00 0.00 O ATOM 910 CB LEU A 63 1.036 7.315 4.431 1.00 0.00 C ATOM 911 CG LEU A 63 0.831 6.217 5.475 1.00 0.00 C ATOM 912 CD1 LEU A 63 -0.459 5.457 5.205 1.00 0.00 C ATOM 913 CD2 LEU A 63 2.019 5.266 5.490 1.00 0.00 C ATOM 0 H LEU A 63 1.697 8.810 6.356 1.00 0.00 H new ATOM 0 HA LEU A 63 3.179 7.388 4.291 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.222 8.034 4.524 1.00 0.00 H new ATOM 0 HB3 LEU A 63 0.953 6.867 3.441 1.00 0.00 H new ATOM 0 HG LEU A 63 0.754 6.686 6.456 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.588 4.680 5.958 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -1.303 6.146 5.247 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.412 5.000 4.216 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.855 4.491 6.239 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.128 4.805 4.509 1.00 0.00 H new ATOM 0 HD23 LEU A 63 2.926 5.820 5.733 1.00 0.00 H new ATOM 925 N TYR A 64 3.564 9.474 2.934 1.00 0.00 N ATOM 926 CA TYR A 64 3.719 10.519 1.929 1.00 0.00 C ATOM 927 C TYR A 64 3.347 10.002 0.543 1.00 0.00 C ATOM 928 O TYR A 64 2.870 10.755 -0.306 1.00 0.00 O ATOM 929 CB TYR A 64 5.156 11.041 1.923 1.00 0.00 C ATOM 930 CG TYR A 64 5.466 11.978 3.068 1.00 0.00 C ATOM 931 CD1 TYR A 64 5.263 13.347 2.945 1.00 0.00 C ATOM 932 CD2 TYR A 64 5.959 11.495 4.273 1.00 0.00 C ATOM 933 CE1 TYR A 64 5.545 14.208 3.988 1.00 0.00 C ATOM 934 CE2 TYR A 64 6.242 12.348 5.323 1.00 0.00 C ATOM 935 CZ TYR A 64 6.034 13.703 5.175 1.00 0.00 C ATOM 936 OH TYR A 64 6.315 14.557 6.218 1.00 0.00 O ATOM 0 H TYR A 64 4.430 8.994 3.180 1.00 0.00 H new ATOM 0 HA TYR A 64 3.044 11.336 2.184 1.00 0.00 H new ATOM 0 HB2 TYR A 64 5.841 10.194 1.962 1.00 0.00 H new ATOM 0 HB3 TYR A 64 5.342 11.558 0.981 1.00 0.00 H new ATOM 0 HD1 TYR A 64 4.878 13.745 2.018 1.00 0.00 H new ATOM 0 HD2 TYR A 64 6.124 10.434 4.392 1.00 0.00 H new ATOM 0 HE1 TYR A 64 5.384 15.270 3.875 1.00 0.00 H new ATOM 0 HE2 TYR A 64 6.624 11.956 6.254 1.00 0.00 H new ATOM 0 HH TYR A 64 6.346 15.479 5.887 1.00 0.00 H new ATOM 946 N SER A 65 3.570 8.710 0.321 1.00 0.00 N ATOM 947 CA SER A 65 3.262 8.091 -0.962 1.00 0.00 C ATOM 948 C SER A 65 3.019 6.593 -0.798 1.00 0.00 C ATOM 949 O SER A 65 3.231 6.033 0.277 1.00 0.00 O ATOM 950 CB SER A 65 4.403 8.328 -1.954 1.00 0.00 C ATOM 951 OG SER A 65 5.500 8.968 -1.325 1.00 0.00 O ATOM 0 H SER A 65 3.963 8.072 1.013 1.00 0.00 H new ATOM 0 HA SER A 65 2.352 8.549 -1.349 1.00 0.00 H new ATOM 0 HB2 SER A 65 4.726 7.376 -2.376 1.00 0.00 H new ATOM 0 HB3 SER A 65 4.047 8.940 -2.783 1.00 0.00 H new ATOM 0 HG SER A 65 6.217 9.107 -1.979 1.00 0.00 H new ATOM 957 N MET A 66 2.573 5.952 -1.873 1.00 0.00 N ATOM 958 CA MET A 66 2.301 4.519 -1.850 1.00 0.00 C ATOM 959 C MET A 66 2.624 3.882 -3.198 1.00 0.00 C ATOM 960 O MET A 66 2.211 4.379 -4.246 1.00 0.00 O ATOM 961 CB MET A 66 0.837 4.262 -1.489 1.00 0.00 C ATOM 962 CG MET A 66 0.333 2.897 -1.929 1.00 0.00 C ATOM 963 SD MET A 66 -1.355 2.570 -1.386 1.00 0.00 S ATOM 964 CE MET A 66 -2.283 3.128 -2.812 1.00 0.00 C ATOM 0 H MET A 66 2.392 6.401 -2.771 1.00 0.00 H new ATOM 0 HA MET A 66 2.940 4.066 -1.092 1.00 0.00 H new ATOM 0 HB2 MET A 66 0.716 4.354 -0.410 1.00 0.00 H new ATOM 0 HB3 MET A 66 0.218 5.034 -1.946 1.00 0.00 H new ATOM 0 HG2 MET A 66 0.380 2.830 -3.016 1.00 0.00 H new ATOM 0 HG3 MET A 66 0.993 2.126 -1.533 1.00 0.00 H new ATOM 0 HE1 MET A 66 -3.318 3.311 -2.524 1.00 0.00 H new ATOM 0 HE2 MET A 66 -1.844 4.050 -3.194 1.00 0.00 H new ATOM 0 HE3 MET A 66 -2.252 2.363 -3.588 1.00 0.00 H new ATOM 974 N LYS A 67 3.365 2.780 -3.164 1.00 0.00 N ATOM 975 CA LYS A 67 3.743 2.074 -4.382 1.00 0.00 C ATOM 976 C LYS A 67 2.852 0.855 -4.604 1.00 0.00 C ATOM 977 O LYS A 67 3.116 -0.224 -4.072 1.00 0.00 O ATOM 978 CB LYS A 67 5.209 1.641 -4.312 1.00 0.00 C ATOM 979 CG LYS A 67 6.182 2.803 -4.207 1.00 0.00 C ATOM 980 CD LYS A 67 7.521 2.468 -4.841 1.00 0.00 C ATOM 981 CE LYS A 67 8.119 3.673 -5.551 1.00 0.00 C ATOM 982 NZ LYS A 67 9.033 3.269 -6.655 1.00 0.00 N ATOM 0 H LYS A 67 3.716 2.356 -2.305 1.00 0.00 H new ATOM 0 HA LYS A 67 3.612 2.756 -5.222 1.00 0.00 H new ATOM 0 HB2 LYS A 67 5.345 0.985 -3.452 1.00 0.00 H new ATOM 0 HB3 LYS A 67 5.449 1.056 -5.200 1.00 0.00 H new ATOM 0 HG2 LYS A 67 5.757 3.680 -4.695 1.00 0.00 H new ATOM 0 HG3 LYS A 67 6.329 3.062 -3.158 1.00 0.00 H new ATOM 0 HD2 LYS A 67 8.211 2.118 -4.073 1.00 0.00 H new ATOM 0 HD3 LYS A 67 7.394 1.652 -5.552 1.00 0.00 H new ATOM 0 HE2 LYS A 67 7.317 4.293 -5.952 1.00 0.00 H new ATOM 0 HE3 LYS A 67 8.665 4.284 -4.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 9.420 4.118 -7.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 9.812 2.698 -6.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 8.506 2.708 -7.354 1.00 0.00 H new ATOM 996 N PHE A 68 1.798 1.034 -5.392 1.00 0.00 N ATOM 997 CA PHE A 68 0.869 -0.051 -5.684 1.00 0.00 C ATOM 998 C PHE A 68 0.920 -0.429 -7.162 1.00 0.00 C ATOM 999 O PHE A 68 0.687 0.408 -8.034 1.00 0.00 O ATOM 1000 CB PHE A 68 -0.556 0.351 -5.298 1.00 0.00 C ATOM 1001 CG PHE A 68 -1.305 -0.726 -4.565 1.00 0.00 C ATOM 1002 CD1 PHE A 68 -0.730 -1.374 -3.484 1.00 0.00 C ATOM 1003 CD2 PHE A 68 -2.583 -1.089 -4.958 1.00 0.00 C ATOM 1004 CE1 PHE A 68 -1.417 -2.365 -2.807 1.00 0.00 C ATOM 1005 CE2 PHE A 68 -3.274 -2.078 -4.284 1.00 0.00 C ATOM 1006 CZ PHE A 68 -2.690 -2.718 -3.209 1.00 0.00 C ATOM 0 H PHE A 68 1.566 1.920 -5.840 1.00 0.00 H new ATOM 0 HA PHE A 68 1.167 -0.918 -5.095 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -0.517 1.244 -4.674 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -1.107 0.616 -6.200 1.00 0.00 H new ATOM 0 HD1 PHE A 68 0.266 -1.102 -3.166 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -3.044 -0.594 -5.800 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -0.958 -2.862 -1.965 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -4.271 -2.350 -4.598 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.228 -3.493 -2.684 1.00 0.00 H new ATOM 1016 N GLN A 69 1.228 -1.693 -7.434 1.00 0.00 N ATOM 1017 CA GLN A 69 1.311 -2.180 -8.805 1.00 0.00 C ATOM 1018 C GLN A 69 0.989 -3.669 -8.874 1.00 0.00 C ATOM 1019 O GLN A 69 0.564 -4.269 -7.888 1.00 0.00 O ATOM 1020 CB GLN A 69 2.706 -1.921 -9.377 1.00 0.00 C ATOM 1021 CG GLN A 69 3.633 -1.197 -8.414 1.00 0.00 C ATOM 1022 CD GLN A 69 5.052 -1.093 -8.938 1.00 0.00 C ATOM 1023 OE1 GLN A 69 5.414 -1.746 -9.917 1.00 0.00 O ATOM 1024 NE2 GLN A 69 5.864 -0.268 -8.287 1.00 0.00 N ATOM 0 H GLN A 69 1.424 -2.398 -6.723 1.00 0.00 H new ATOM 0 HA GLN A 69 0.575 -1.640 -9.401 1.00 0.00 H new ATOM 0 HB2 GLN A 69 3.158 -2.873 -9.657 1.00 0.00 H new ATOM 0 HB3 GLN A 69 2.612 -1.332 -10.290 1.00 0.00 H new ATOM 0 HG2 GLN A 69 3.245 -0.196 -8.225 1.00 0.00 H new ATOM 0 HG3 GLN A 69 3.640 -1.722 -7.459 1.00 0.00 H new ATOM 0 HE21 GLN A 69 5.521 0.254 -7.480 1.00 0.00 H new ATOM 0 HE22 GLN A 69 6.830 -0.156 -8.594 1.00 0.00 H new ATOM 1033 N GLY A 70 1.193 -4.261 -10.048 1.00 0.00 N ATOM 1034 CA GLY A 70 0.919 -5.675 -10.223 1.00 0.00 C ATOM 1035 C GLY A 70 1.976 -6.371 -11.057 1.00 0.00 C ATOM 1036 O GLY A 70 3.075 -5.855 -11.263 1.00 0.00 O ATOM 0 H GLY A 70 1.543 -3.786 -10.880 1.00 0.00 H new ATOM 0 HA2 GLY A 70 0.858 -6.154 -9.246 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -0.054 -5.797 -10.699 1.00 0.00 H new ATOM 1040 N PRO A 71 1.648 -7.574 -11.551 1.00 0.00 N ATOM 1041 CA PRO A 71 2.564 -8.369 -12.374 1.00 0.00 C ATOM 1042 C PRO A 71 2.788 -7.755 -13.752 1.00 0.00 C ATOM 1043 O PRO A 71 2.368 -6.627 -14.015 1.00 0.00 O ATOM 1044 CB PRO A 71 1.850 -9.717 -12.499 1.00 0.00 C ATOM 1045 CG PRO A 71 0.407 -9.400 -12.315 1.00 0.00 C ATOM 1046 CD PRO A 71 0.356 -8.250 -11.346 1.00 0.00 C ATOM 0 HA PRO A 71 3.557 -8.436 -11.929 1.00 0.00 H new ATOM 0 HB2 PRO A 71 2.034 -10.174 -13.471 1.00 0.00 H new ATOM 0 HB3 PRO A 71 2.200 -10.422 -11.745 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -0.058 -9.132 -13.264 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -0.136 -10.262 -11.927 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -0.483 -7.586 -11.554 1.00 0.00 H new ATOM 0 HD3 PRO A 71 0.242 -8.595 -10.318 1.00 0.00 H new ATOM 1054 N ASP A 72 3.451 -8.502 -14.627 1.00 0.00 N ATOM 1055 CA ASP A 72 3.729 -8.031 -15.979 1.00 0.00 C ATOM 1056 C ASP A 72 2.768 -8.662 -16.982 1.00 0.00 C ATOM 1057 O ASP A 72 3.111 -8.852 -18.149 1.00 0.00 O ATOM 1058 CB ASP A 72 5.173 -8.351 -16.366 1.00 0.00 C ATOM 1059 CG ASP A 72 6.157 -7.336 -15.819 1.00 0.00 C ATOM 1060 OD1 ASP A 72 6.231 -6.220 -16.375 1.00 0.00 O ATOM 1061 OD2 ASP A 72 6.853 -7.657 -14.833 1.00 0.00 O ATOM 0 H ASP A 72 3.806 -9.436 -14.425 1.00 0.00 H new ATOM 0 HA ASP A 72 3.587 -6.950 -15.998 1.00 0.00 H new ATOM 0 HB2 ASP A 72 5.434 -9.342 -15.996 1.00 0.00 H new ATOM 0 HB3 ASP A 72 5.256 -8.385 -17.452 1.00 0.00 H new ATOM 1066 N ASN A 73 1.565 -8.986 -16.520 1.00 0.00 N ATOM 1067 CA ASN A 73 0.556 -9.598 -17.376 1.00 0.00 C ATOM 1068 C ASN A 73 -0.435 -8.553 -17.881 1.00 0.00 C ATOM 1069 O ASN A 73 -0.956 -8.661 -18.990 1.00 0.00 O ATOM 1070 CB ASN A 73 -0.189 -10.698 -16.617 1.00 0.00 C ATOM 1071 CG ASN A 73 -1.488 -11.089 -17.293 1.00 0.00 C ATOM 1072 OD1 ASN A 73 -1.549 -11.223 -18.516 1.00 0.00 O ATOM 1073 ND2 ASN A 73 -2.536 -11.274 -16.499 1.00 0.00 N ATOM 0 H ASN A 73 1.265 -8.835 -15.557 1.00 0.00 H new ATOM 0 HA ASN A 73 1.063 -10.038 -18.235 1.00 0.00 H new ATOM 0 HB2 ASN A 73 0.452 -11.576 -16.533 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -0.398 -10.358 -15.603 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -3.437 -11.538 -16.897 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -2.440 -11.152 -15.491 1.00 0.00 H new ATOM 1080 N GLY A 74 -0.689 -7.540 -17.058 1.00 0.00 N ATOM 1081 CA GLY A 74 -1.616 -6.490 -17.438 1.00 0.00 C ATOM 1082 C GLY A 74 -2.779 -6.367 -16.475 1.00 0.00 C ATOM 1083 O GLY A 74 -3.845 -5.871 -16.840 1.00 0.00 O ATOM 0 H GLY A 74 -0.269 -7.428 -16.135 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -1.084 -5.540 -17.484 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -1.997 -6.691 -18.439 1.00 0.00 H new ATOM 1087 N GLN A 75 -2.576 -6.821 -15.242 1.00 0.00 N ATOM 1088 CA GLN A 75 -3.618 -6.761 -14.225 1.00 0.00 C ATOM 1089 C GLN A 75 -3.136 -5.998 -12.995 1.00 0.00 C ATOM 1090 O GLN A 75 -2.436 -6.549 -12.146 1.00 0.00 O ATOM 1091 CB GLN A 75 -4.053 -8.172 -13.826 1.00 0.00 C ATOM 1092 CG GLN A 75 -4.790 -8.916 -14.928 1.00 0.00 C ATOM 1093 CD GLN A 75 -5.760 -9.948 -14.389 1.00 0.00 C ATOM 1094 OE1 GLN A 75 -5.316 -10.720 -13.404 1.00 0.00 O flip ATOM 1095 NE2 GLN A 75 -6.897 -10.051 -14.852 1.00 0.00 N flip ATOM 0 H GLN A 75 -1.699 -7.234 -14.924 1.00 0.00 H new ATOM 0 HA GLN A 75 -4.472 -6.231 -14.647 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -3.173 -8.746 -13.537 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -4.696 -8.110 -12.948 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -5.333 -8.199 -15.544 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -4.065 -9.408 -15.576 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -7.197 -9.437 -15.609 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -7.538 -10.750 -14.478 1.00 0.00 H new ATOM 1104 N GLY A 76 -3.515 -4.727 -12.906 1.00 0.00 N ATOM 1105 CA GLY A 76 -3.111 -3.910 -11.777 1.00 0.00 C ATOM 1106 C GLY A 76 -4.269 -3.136 -11.178 1.00 0.00 C ATOM 1107 O GLY A 76 -5.238 -2.800 -11.859 1.00 0.00 O ATOM 0 H GLY A 76 -4.095 -4.249 -13.596 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -2.669 -4.547 -11.011 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -2.337 -3.212 -12.096 1.00 0.00 H new ATOM 1111 N PRO A 77 -4.177 -2.843 -9.872 1.00 0.00 N ATOM 1112 CA PRO A 77 -5.217 -2.102 -9.152 1.00 0.00 C ATOM 1113 C PRO A 77 -5.285 -0.638 -9.576 1.00 0.00 C ATOM 1114 O PRO A 77 -4.257 0.012 -9.765 1.00 0.00 O ATOM 1115 CB PRO A 77 -4.785 -2.215 -7.689 1.00 0.00 C ATOM 1116 CG PRO A 77 -3.311 -2.424 -7.744 1.00 0.00 C ATOM 1117 CD PRO A 77 -3.051 -3.212 -8.998 1.00 0.00 C ATOM 0 HA PRO A 77 -6.212 -2.501 -9.349 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -5.036 -1.313 -7.131 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -5.284 -3.047 -7.192 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -2.782 -1.471 -7.765 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -2.960 -2.964 -6.864 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -2.092 -2.950 -9.446 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -3.029 -4.284 -8.802 1.00 0.00 H new ATOM 1125 N LYS A 78 -6.502 -0.126 -9.724 1.00 0.00 N ATOM 1126 CA LYS A 78 -6.705 1.262 -10.124 1.00 0.00 C ATOM 1127 C LYS A 78 -7.354 2.063 -9.000 1.00 0.00 C ATOM 1128 O LYS A 78 -6.688 2.836 -8.311 1.00 0.00 O ATOM 1129 CB LYS A 78 -7.574 1.330 -11.381 1.00 0.00 C ATOM 1130 CG LYS A 78 -8.091 2.725 -11.689 1.00 0.00 C ATOM 1131 CD LYS A 78 -8.370 2.901 -13.172 1.00 0.00 C ATOM 1132 CE LYS A 78 -7.174 3.497 -13.898 1.00 0.00 C ATOM 1133 NZ LYS A 78 -7.517 3.910 -15.287 1.00 0.00 N ATOM 0 H LYS A 78 -7.363 -0.651 -9.573 1.00 0.00 H new ATOM 0 HA LYS A 78 -5.730 1.698 -10.340 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -6.996 0.970 -12.232 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -8.422 0.655 -11.263 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -9.003 2.909 -11.122 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -7.359 3.465 -11.365 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -8.621 1.936 -13.613 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -9.237 3.548 -13.306 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -6.806 4.360 -13.343 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -6.365 2.767 -13.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -6.675 4.311 -15.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -7.845 3.082 -15.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -8.271 4.626 -15.260 1.00 0.00 H new ATOM 1147 N TYR A 79 -8.656 1.871 -8.819 1.00 0.00 N ATOM 1148 CA TYR A 79 -9.395 2.576 -7.778 1.00 0.00 C ATOM 1149 C TYR A 79 -9.317 1.827 -6.452 1.00 0.00 C ATOM 1150 O TYR A 79 -10.037 0.853 -6.232 1.00 0.00 O ATOM 1151 CB TYR A 79 -10.857 2.752 -8.192 1.00 0.00 C ATOM 1152 CG TYR A 79 -11.576 3.840 -7.427 1.00 0.00 C ATOM 1153 CD1 TYR A 79 -11.470 5.172 -7.810 1.00 0.00 C ATOM 1154 CD2 TYR A 79 -12.362 3.536 -6.323 1.00 0.00 C ATOM 1155 CE1 TYR A 79 -12.125 6.169 -7.113 1.00 0.00 C ATOM 1156 CE2 TYR A 79 -13.022 4.527 -5.621 1.00 0.00 C ATOM 1157 CZ TYR A 79 -12.900 5.842 -6.020 1.00 0.00 C ATOM 1158 OH TYR A 79 -13.554 6.832 -5.324 1.00 0.00 O ATOM 0 H TYR A 79 -9.221 1.233 -9.379 1.00 0.00 H new ATOM 0 HA TYR A 79 -8.940 3.558 -7.647 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -10.899 2.980 -9.257 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -11.383 1.809 -8.046 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -10.866 5.432 -8.667 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -12.459 2.508 -6.008 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -12.031 7.199 -7.423 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -13.630 4.273 -4.765 1.00 0.00 H new ATOM 0 HH TYR A 79 -14.057 6.434 -4.583 1.00 0.00 H new ATOM 1168 N VAL A 80 -8.437 2.290 -5.569 1.00 0.00 N ATOM 1169 CA VAL A 80 -8.265 1.666 -4.263 1.00 0.00 C ATOM 1170 C VAL A 80 -8.591 2.644 -3.139 1.00 0.00 C ATOM 1171 O VAL A 80 -8.192 3.808 -3.179 1.00 0.00 O ATOM 1172 CB VAL A 80 -6.827 1.147 -4.074 1.00 0.00 C ATOM 1173 CG1 VAL A 80 -6.825 -0.363 -3.890 1.00 0.00 C ATOM 1174 CG2 VAL A 80 -5.956 1.549 -5.255 1.00 0.00 C ATOM 0 H VAL A 80 -7.833 3.095 -5.735 1.00 0.00 H new ATOM 0 HA VAL A 80 -8.956 0.824 -4.221 1.00 0.00 H new ATOM 0 HB VAL A 80 -6.411 1.600 -3.174 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -5.801 -0.712 -3.758 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -7.413 -0.623 -3.010 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -7.259 -0.837 -4.770 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -4.944 1.174 -5.105 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -6.367 1.126 -6.171 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -5.932 2.636 -5.336 1.00 0.00 H new ATOM 1184 N LYS A 81 -9.320 2.164 -2.138 1.00 0.00 N ATOM 1185 CA LYS A 81 -9.700 2.995 -1.001 1.00 0.00 C ATOM 1186 C LYS A 81 -8.712 2.827 0.150 1.00 0.00 C ATOM 1187 O LYS A 81 -8.502 1.718 0.643 1.00 0.00 O ATOM 1188 CB LYS A 81 -11.112 2.637 -0.531 1.00 0.00 C ATOM 1189 CG LYS A 81 -12.155 2.706 -1.633 1.00 0.00 C ATOM 1190 CD LYS A 81 -13.551 2.439 -1.096 1.00 0.00 C ATOM 1191 CE LYS A 81 -14.377 3.715 -1.032 1.00 0.00 C ATOM 1192 NZ LYS A 81 -15.373 3.787 -2.137 1.00 0.00 N ATOM 0 H LYS A 81 -9.660 1.203 -2.090 1.00 0.00 H new ATOM 0 HA LYS A 81 -9.683 4.036 -1.322 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -11.103 1.630 -0.113 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -11.400 3.313 0.274 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -12.126 3.690 -2.101 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -11.916 1.977 -2.407 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -14.054 1.710 -1.732 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -13.481 1.999 -0.101 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -14.894 3.765 -0.074 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -13.715 4.579 -1.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -15.759 4.751 -2.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -14.911 3.545 -3.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -16.145 3.115 -1.953 1.00 0.00 H new ATOM 1206 N ILE A 82 -8.111 3.933 0.573 1.00 0.00 N ATOM 1207 CA ILE A 82 -7.148 3.908 1.667 1.00 0.00 C ATOM 1208 C ILE A 82 -7.810 4.276 2.991 1.00 0.00 C ATOM 1209 O ILE A 82 -8.644 5.179 3.050 1.00 0.00 O ATOM 1210 CB ILE A 82 -5.975 4.872 1.407 1.00 0.00 C ATOM 1211 CG1 ILE A 82 -5.260 4.501 0.106 1.00 0.00 C ATOM 1212 CG2 ILE A 82 -5.003 4.851 2.577 1.00 0.00 C ATOM 1213 CD1 ILE A 82 -4.431 5.627 -0.470 1.00 0.00 C ATOM 0 H ILE A 82 -8.274 4.858 0.175 1.00 0.00 H new ATOM 0 HA ILE A 82 -6.764 2.889 1.726 1.00 0.00 H new ATOM 0 HB ILE A 82 -6.370 5.883 1.307 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -4.615 3.642 0.288 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -6.001 4.192 -0.631 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -4.180 5.537 2.378 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -5.521 5.159 3.486 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -4.611 3.842 2.707 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -3.953 5.293 -1.391 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -5.075 6.480 -0.684 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -3.667 5.921 0.249 1.00 0.00 H new ATOM 1225 N PHE A 83 -7.431 3.570 4.051 1.00 0.00 N ATOM 1226 CA PHE A 83 -7.988 3.823 5.375 1.00 0.00 C ATOM 1227 C PHE A 83 -6.888 3.841 6.433 1.00 0.00 C ATOM 1228 O PHE A 83 -5.907 3.102 6.336 1.00 0.00 O ATOM 1229 CB PHE A 83 -9.030 2.759 5.725 1.00 0.00 C ATOM 1230 CG PHE A 83 -10.240 2.789 4.836 1.00 0.00 C ATOM 1231 CD1 PHE A 83 -10.237 2.129 3.617 1.00 0.00 C ATOM 1232 CD2 PHE A 83 -11.380 3.478 5.218 1.00 0.00 C ATOM 1233 CE1 PHE A 83 -11.349 2.157 2.797 1.00 0.00 C ATOM 1234 CE2 PHE A 83 -12.495 3.508 4.401 1.00 0.00 C ATOM 1235 CZ PHE A 83 -12.479 2.846 3.190 1.00 0.00 C ATOM 0 H PHE A 83 -6.741 2.819 4.019 1.00 0.00 H new ATOM 0 HA PHE A 83 -8.469 4.801 5.359 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -8.567 1.774 5.662 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -9.345 2.897 6.759 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -9.356 1.587 3.305 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -11.398 3.997 6.165 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -11.334 1.640 1.849 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -13.377 4.049 4.710 1.00 0.00 H new ATOM 0 HZ PHE A 83 -13.349 2.867 2.551 1.00 0.00 H new ATOM 1245 N ILE A 84 -7.058 4.689 7.441 1.00 0.00 N ATOM 1246 CA ILE A 84 -6.081 4.803 8.516 1.00 0.00 C ATOM 1247 C ILE A 84 -6.763 5.081 9.852 1.00 0.00 C ATOM 1248 O ILE A 84 -7.941 5.433 9.897 1.00 0.00 O ATOM 1249 CB ILE A 84 -5.059 5.920 8.233 1.00 0.00 C ATOM 1250 CG1 ILE A 84 -5.771 7.265 8.074 1.00 0.00 C ATOM 1251 CG2 ILE A 84 -4.249 5.593 6.987 1.00 0.00 C ATOM 1252 CD1 ILE A 84 -4.984 8.434 8.624 1.00 0.00 C ATOM 0 H ILE A 84 -7.864 5.307 7.536 1.00 0.00 H new ATOM 0 HA ILE A 84 -5.558 3.848 8.569 1.00 0.00 H new ATOM 0 HB ILE A 84 -4.376 5.990 9.079 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -5.972 7.438 7.017 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -6.736 7.218 8.578 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -3.531 6.392 6.800 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -3.716 4.654 7.135 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -4.919 5.499 6.132 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -5.549 9.354 8.477 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -4.806 8.284 9.689 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -4.029 8.507 8.103 1.00 0.00 H new ATOM 1264 N ASN A 85 -6.013 4.922 10.937 1.00 0.00 N ATOM 1265 CA ASN A 85 -6.545 5.157 12.275 1.00 0.00 C ATOM 1266 C ASN A 85 -7.787 4.306 12.524 1.00 0.00 C ATOM 1267 O ASN A 85 -8.760 4.768 13.122 1.00 0.00 O ATOM 1268 CB ASN A 85 -6.883 6.638 12.459 1.00 0.00 C ATOM 1269 CG ASN A 85 -5.652 7.482 12.731 1.00 0.00 C ATOM 1270 OD1 ASN A 85 -4.625 7.314 11.906 1.00 0.00 O flip ATOM 1271 ND2 ASN A 85 -5.626 8.275 13.673 1.00 0.00 N flip ATOM 0 H ASN A 85 -5.035 4.632 10.917 1.00 0.00 H new ATOM 0 HA ASN A 85 -5.780 4.873 12.998 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -7.383 7.008 11.564 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -7.585 6.748 13.285 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -6.439 8.371 14.281 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -4.791 8.836 13.845 1.00 0.00 H new ATOM 1278 N LEU A 86 -7.747 3.062 12.061 1.00 0.00 N ATOM 1279 CA LEU A 86 -8.868 2.145 12.234 1.00 0.00 C ATOM 1280 C LEU A 86 -8.875 1.551 13.639 1.00 0.00 C ATOM 1281 O LEU A 86 -7.845 1.464 14.308 1.00 0.00 O ATOM 1282 CB LEU A 86 -8.801 1.024 11.195 1.00 0.00 C ATOM 1283 CG LEU A 86 -9.042 1.439 9.743 1.00 0.00 C ATOM 1284 CD1 LEU A 86 -8.851 0.254 8.810 1.00 0.00 C ATOM 1285 CD2 LEU A 86 -10.436 2.028 9.582 1.00 0.00 C ATOM 0 H LEU A 86 -6.950 2.665 11.563 1.00 0.00 H new ATOM 0 HA LEU A 86 -9.790 2.708 12.093 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -7.819 0.554 11.259 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -9.536 0.264 11.462 1.00 0.00 H new ATOM 0 HG LEU A 86 -8.313 2.204 9.478 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -9.027 0.569 7.781 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -7.833 -0.124 8.905 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -9.556 -0.534 9.074 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -10.591 2.318 8.543 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -11.180 1.284 9.866 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -10.537 2.905 10.222 1.00 0.00 H new ATOM 1297 N PRO A 87 -10.063 1.131 14.099 1.00 0.00 N ATOM 1298 CA PRO A 87 -10.233 0.536 15.427 1.00 0.00 C ATOM 1299 C PRO A 87 -9.595 -0.845 15.529 1.00 0.00 C ATOM 1300 O PRO A 87 -9.258 -1.305 16.621 1.00 0.00 O ATOM 1301 CB PRO A 87 -11.752 0.436 15.580 1.00 0.00 C ATOM 1302 CG PRO A 87 -12.270 0.370 14.185 1.00 0.00 C ATOM 1303 CD PRO A 87 -11.333 1.205 13.356 1.00 0.00 C ATOM 0 HA PRO A 87 -9.751 1.130 16.204 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -12.035 -0.449 16.150 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -12.154 1.299 16.111 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -12.297 -0.659 13.827 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -13.289 0.754 14.128 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -11.231 0.811 12.345 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -11.685 2.232 13.263 1.00 0.00 H new ATOM 1311 N ARG A 88 -9.431 -1.502 14.386 1.00 0.00 N ATOM 1312 CA ARG A 88 -8.834 -2.832 14.347 1.00 0.00 C ATOM 1313 C ARG A 88 -8.564 -3.265 12.909 1.00 0.00 C ATOM 1314 O ARG A 88 -7.416 -3.303 12.467 1.00 0.00 O ATOM 1315 CB ARG A 88 -9.751 -3.846 15.033 1.00 0.00 C ATOM 1316 CG ARG A 88 -11.215 -3.437 15.040 1.00 0.00 C ATOM 1317 CD ARG A 88 -12.132 -4.649 15.079 1.00 0.00 C ATOM 1318 NE ARG A 88 -13.060 -4.669 13.951 1.00 0.00 N ATOM 1319 CZ ARG A 88 -13.750 -5.744 13.586 1.00 0.00 C ATOM 1320 NH1 ARG A 88 -13.616 -6.880 14.256 1.00 0.00 N ATOM 1321 NH2 ARG A 88 -14.575 -5.684 12.549 1.00 0.00 N ATOM 0 H ARG A 88 -9.703 -1.135 13.474 1.00 0.00 H new ATOM 0 HA ARG A 88 -7.884 -2.792 14.880 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -9.654 -4.809 14.531 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -9.417 -3.988 16.061 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -11.412 -2.802 15.904 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -11.432 -2.843 14.152 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -11.531 -5.559 15.071 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -12.695 -4.648 16.012 1.00 0.00 H new ATOM 0 HE ARG A 88 -13.185 -3.811 13.414 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -12.982 -6.930 15.054 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -14.147 -7.704 13.974 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -14.680 -4.812 12.031 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -15.104 -6.510 12.270 1.00 0.00 H new ATOM 1335 N SER A 89 -9.630 -3.591 12.184 1.00 0.00 N ATOM 1336 CA SER A 89 -9.507 -4.025 10.798 1.00 0.00 C ATOM 1337 C SER A 89 -10.663 -3.490 9.957 1.00 0.00 C ATOM 1338 O SER A 89 -11.573 -2.844 10.474 1.00 0.00 O ATOM 1339 CB SER A 89 -9.471 -5.553 10.721 1.00 0.00 C ATOM 1340 OG SER A 89 -10.692 -6.115 11.169 1.00 0.00 O ATOM 0 H SER A 89 -10.588 -3.563 12.534 1.00 0.00 H new ATOM 0 HA SER A 89 -8.574 -3.626 10.399 1.00 0.00 H new ATOM 0 HB2 SER A 89 -9.279 -5.864 9.694 1.00 0.00 H new ATOM 0 HB3 SER A 89 -8.648 -5.932 11.328 1.00 0.00 H new ATOM 0 HG SER A 89 -10.644 -7.092 11.108 1.00 0.00 H new ATOM 1346 N MET A 90 -10.617 -3.765 8.658 1.00 0.00 N ATOM 1347 CA MET A 90 -11.661 -3.313 7.745 1.00 0.00 C ATOM 1348 C MET A 90 -12.298 -4.494 7.020 1.00 0.00 C ATOM 1349 O MET A 90 -11.609 -5.428 6.609 1.00 0.00 O ATOM 1350 CB MET A 90 -11.085 -2.326 6.727 1.00 0.00 C ATOM 1351 CG MET A 90 -12.128 -1.743 5.788 1.00 0.00 C ATOM 1352 SD MET A 90 -13.234 -0.582 6.613 1.00 0.00 S ATOM 1353 CE MET A 90 -12.065 0.643 7.196 1.00 0.00 C ATOM 0 H MET A 90 -9.869 -4.298 8.214 1.00 0.00 H new ATOM 0 HA MET A 90 -12.430 -2.812 8.332 1.00 0.00 H new ATOM 0 HB2 MET A 90 -10.593 -1.513 7.260 1.00 0.00 H new ATOM 0 HB3 MET A 90 -10.319 -2.830 6.138 1.00 0.00 H new ATOM 0 HG2 MET A 90 -11.626 -1.237 4.963 1.00 0.00 H new ATOM 0 HG3 MET A 90 -12.715 -2.553 5.355 1.00 0.00 H new ATOM 0 HE1 MET A 90 -12.583 1.586 7.369 1.00 0.00 H new ATOM 0 HE2 MET A 90 -11.613 0.301 8.127 1.00 0.00 H new ATOM 0 HE3 MET A 90 -11.287 0.789 6.447 1.00 0.00 H new ATOM 1363 N ASP A 91 -13.617 -4.447 6.866 1.00 0.00 N ATOM 1364 CA ASP A 91 -14.347 -5.513 6.190 1.00 0.00 C ATOM 1365 C ASP A 91 -14.869 -5.040 4.837 1.00 0.00 C ATOM 1366 O ASP A 91 -14.501 -3.967 4.358 1.00 0.00 O ATOM 1367 CB ASP A 91 -15.510 -5.994 7.059 1.00 0.00 C ATOM 1368 CG ASP A 91 -15.158 -6.022 8.534 1.00 0.00 C ATOM 1369 OD1 ASP A 91 -15.335 -4.985 9.206 1.00 0.00 O ATOM 1370 OD2 ASP A 91 -14.704 -7.082 9.015 1.00 0.00 O ATOM 0 H ASP A 91 -14.203 -3.682 7.200 1.00 0.00 H new ATOM 0 HA ASP A 91 -13.660 -6.343 6.025 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -16.369 -5.340 6.906 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -15.809 -6.993 6.741 1.00 0.00 H new ATOM 1375 N PHE A 92 -15.728 -5.848 4.225 1.00 0.00 N ATOM 1376 CA PHE A 92 -16.299 -5.514 2.925 1.00 0.00 C ATOM 1377 C PHE A 92 -17.416 -4.485 3.071 1.00 0.00 C ATOM 1378 O PHE A 92 -17.591 -3.619 2.214 1.00 0.00 O ATOM 1379 CB PHE A 92 -16.835 -6.773 2.241 1.00 0.00 C ATOM 1380 CG PHE A 92 -15.760 -7.746 1.847 1.00 0.00 C ATOM 1381 CD1 PHE A 92 -15.078 -8.472 2.809 1.00 0.00 C ATOM 1382 CD2 PHE A 92 -15.432 -7.933 0.514 1.00 0.00 C ATOM 1383 CE1 PHE A 92 -14.088 -9.368 2.450 1.00 0.00 C ATOM 1384 CE2 PHE A 92 -14.444 -8.827 0.148 1.00 0.00 C ATOM 1385 CZ PHE A 92 -13.770 -9.545 1.118 1.00 0.00 C ATOM 0 H PHE A 92 -16.044 -6.739 4.608 1.00 0.00 H new ATOM 0 HA PHE A 92 -15.510 -5.083 2.309 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -17.536 -7.270 2.911 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -17.395 -6.483 1.352 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -15.322 -8.337 3.852 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -15.955 -7.374 -0.248 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -13.564 -9.929 3.210 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -14.199 -8.965 -0.895 1.00 0.00 H new ATOM 0 HZ PHE A 92 -12.996 -10.243 0.835 1.00 0.00 H new ATOM 1395 N GLU A 93 -18.170 -4.589 4.161 1.00 0.00 N ATOM 1396 CA GLU A 93 -19.271 -3.669 4.418 1.00 0.00 C ATOM 1397 C GLU A 93 -18.761 -2.368 5.032 1.00 0.00 C ATOM 1398 O GLU A 93 -19.261 -1.287 4.724 1.00 0.00 O ATOM 1399 CB GLU A 93 -20.300 -4.316 5.347 1.00 0.00 C ATOM 1400 CG GLU A 93 -21.325 -5.170 4.620 1.00 0.00 C ATOM 1401 CD GLU A 93 -22.731 -4.972 5.152 1.00 0.00 C ATOM 1402 OE1 GLU A 93 -23.152 -3.805 5.294 1.00 0.00 O ATOM 1403 OE2 GLU A 93 -23.410 -5.984 5.425 1.00 0.00 O ATOM 0 H GLU A 93 -18.038 -5.301 4.880 1.00 0.00 H new ATOM 0 HA GLU A 93 -19.748 -3.438 3.465 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -19.779 -4.933 6.079 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -20.819 -3.534 5.901 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -21.305 -4.929 3.557 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -21.050 -6.220 4.714 1.00 0.00 H new ATOM 1410 N GLU A 94 -17.764 -2.483 5.903 1.00 0.00 N ATOM 1411 CA GLU A 94 -17.187 -1.317 6.562 1.00 0.00 C ATOM 1412 C GLU A 94 -16.367 -0.487 5.579 1.00 0.00 C ATOM 1413 O GLU A 94 -16.160 0.709 5.781 1.00 0.00 O ATOM 1414 CB GLU A 94 -16.310 -1.750 7.738 1.00 0.00 C ATOM 1415 CG GLU A 94 -17.100 -2.126 8.981 1.00 0.00 C ATOM 1416 CD GLU A 94 -16.464 -1.607 10.256 1.00 0.00 C ATOM 1417 OE1 GLU A 94 -15.218 -1.610 10.340 1.00 0.00 O ATOM 1418 OE2 GLU A 94 -17.211 -1.199 11.168 1.00 0.00 O ATOM 0 H GLU A 94 -17.339 -3.371 6.169 1.00 0.00 H new ATOM 0 HA GLU A 94 -18.005 -0.701 6.936 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -15.702 -2.602 7.433 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -15.623 -0.941 7.985 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -18.112 -1.730 8.897 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -17.186 -3.211 9.038 1.00 0.00 H new ATOM 1425 N ALA A 95 -15.900 -1.132 4.515 1.00 0.00 N ATOM 1426 CA ALA A 95 -15.103 -0.454 3.499 1.00 0.00 C ATOM 1427 C ALA A 95 -15.994 0.273 2.498 1.00 0.00 C ATOM 1428 O ALA A 95 -15.512 1.055 1.679 1.00 0.00 O ATOM 1429 CB ALA A 95 -14.204 -1.451 2.783 1.00 0.00 C ATOM 0 H ALA A 95 -16.060 -2.123 4.334 1.00 0.00 H new ATOM 0 HA ALA A 95 -14.479 0.289 3.996 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -13.615 -0.932 2.027 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -13.536 -1.922 3.504 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -14.817 -2.215 2.304 1.00 0.00 H new ATOM 1435 N GLU A 96 -17.295 0.009 2.568 1.00 0.00 N ATOM 1436 CA GLU A 96 -18.251 0.638 1.665 1.00 0.00 C ATOM 1437 C GLU A 96 -18.997 1.770 2.365 1.00 0.00 C ATOM 1438 O GLU A 96 -19.108 2.875 1.835 1.00 0.00 O ATOM 1439 CB GLU A 96 -19.249 -0.398 1.141 1.00 0.00 C ATOM 1440 CG GLU A 96 -19.187 -0.595 -0.364 1.00 0.00 C ATOM 1441 CD GLU A 96 -20.527 -0.370 -1.038 1.00 0.00 C ATOM 1442 OE1 GLU A 96 -21.397 -1.260 -0.939 1.00 0.00 O ATOM 1443 OE2 GLU A 96 -20.705 0.696 -1.663 1.00 0.00 O ATOM 0 H GLU A 96 -17.711 -0.636 3.240 1.00 0.00 H new ATOM 0 HA GLU A 96 -17.697 1.056 0.825 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -19.060 -1.353 1.632 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -20.258 -0.091 1.418 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -18.452 0.091 -0.786 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -18.841 -1.606 -0.580 1.00 0.00 H new ATOM 1450 N ARG A 97 -19.507 1.485 3.559 1.00 0.00 N ATOM 1451 CA ARG A 97 -20.245 2.477 4.332 1.00 0.00 C ATOM 1452 C ARG A 97 -19.340 3.640 4.727 1.00 0.00 C ATOM 1453 O ARG A 97 -19.723 4.804 4.615 1.00 0.00 O ATOM 1454 CB ARG A 97 -20.846 1.836 5.584 1.00 0.00 C ATOM 1455 CG ARG A 97 -19.820 1.144 6.466 1.00 0.00 C ATOM 1456 CD ARG A 97 -20.455 0.042 7.300 1.00 0.00 C ATOM 1457 NE ARG A 97 -21.616 0.521 8.045 1.00 0.00 N ATOM 1458 CZ ARG A 97 -22.446 -0.279 8.706 1.00 0.00 C ATOM 1459 NH1 ARG A 97 -22.244 -1.590 8.713 1.00 0.00 N ATOM 1460 NH2 ARG A 97 -23.481 0.231 9.361 1.00 0.00 N ATOM 0 H ARG A 97 -19.423 0.575 4.012 1.00 0.00 H new ATOM 0 HA ARG A 97 -21.051 2.862 3.707 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -21.355 2.604 6.167 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -21.602 1.111 5.283 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -19.030 0.722 5.845 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -19.352 1.876 7.124 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -20.755 -0.779 6.648 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -19.717 -0.357 7.996 1.00 0.00 H new ATOM 0 HE ARG A 97 -21.800 1.524 8.059 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -21.450 -1.986 8.210 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -22.883 -2.202 9.221 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -23.640 1.238 9.358 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -24.117 -0.384 9.868 1.00 0.00 H new ATOM 1474 N SER A 98 -18.137 3.316 5.191 1.00 0.00 N ATOM 1475 CA SER A 98 -17.178 4.333 5.607 1.00 0.00 C ATOM 1476 C SER A 98 -16.288 4.750 4.441 1.00 0.00 C ATOM 1477 O SER A 98 -15.792 3.908 3.693 1.00 0.00 O ATOM 1478 CB SER A 98 -16.318 3.812 6.760 1.00 0.00 C ATOM 1479 OG SER A 98 -17.096 3.065 7.679 1.00 0.00 O ATOM 0 H SER A 98 -17.803 2.357 5.288 1.00 0.00 H new ATOM 0 HA SER A 98 -17.736 5.206 5.945 1.00 0.00 H new ATOM 0 HB2 SER A 98 -15.516 3.188 6.366 1.00 0.00 H new ATOM 0 HB3 SER A 98 -15.847 4.650 7.274 1.00 0.00 H new ATOM 0 HG SER A 98 -17.108 2.123 7.408 1.00 0.00 H new ATOM 1485 N GLU A 99 -16.089 6.056 4.293 1.00 0.00 N ATOM 1486 CA GLU A 99 -15.259 6.585 3.217 1.00 0.00 C ATOM 1487 C GLU A 99 -13.783 6.548 3.601 1.00 0.00 C ATOM 1488 O GLU A 99 -13.416 6.672 4.770 1.00 0.00 O ATOM 1489 CB GLU A 99 -15.674 8.019 2.881 1.00 0.00 C ATOM 1490 CG GLU A 99 -15.261 9.035 3.932 1.00 0.00 C ATOM 1491 CD GLU A 99 -16.256 10.171 4.068 1.00 0.00 C ATOM 1492 OE1 GLU A 99 -17.001 10.428 3.099 1.00 0.00 O ATOM 1493 OE2 GLU A 99 -16.290 10.803 5.145 1.00 0.00 O ATOM 0 H GLU A 99 -16.491 6.767 4.904 1.00 0.00 H new ATOM 0 HA GLU A 99 -15.404 5.957 2.338 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -15.235 8.300 1.924 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -16.756 8.056 2.758 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -15.154 8.534 4.894 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -14.283 9.442 3.674 1.00 0.00 H new ATOM 1500 N PRO A 100 -12.914 6.374 2.595 1.00 0.00 N ATOM 1501 CA PRO A 100 -11.464 6.316 2.801 1.00 0.00 C ATOM 1502 C PRO A 100 -10.881 7.668 3.199 1.00 0.00 C ATOM 1503 O PRO A 100 -11.548 8.698 3.098 1.00 0.00 O ATOM 1504 CB PRO A 100 -10.928 5.885 1.434 1.00 0.00 C ATOM 1505 CG PRO A 100 -11.963 6.335 0.462 1.00 0.00 C ATOM 1506 CD PRO A 100 -13.280 6.219 1.177 1.00 0.00 C ATOM 0 HA PRO A 100 -11.194 5.640 3.612 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -9.962 6.345 1.225 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -10.784 4.806 1.388 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -11.780 7.362 0.145 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -11.950 5.717 -0.436 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -13.980 6.990 0.856 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -13.756 5.257 0.988 1.00 0.00 H new ATOM 1514 N THR A 101 -9.631 7.658 3.652 1.00 0.00 N ATOM 1515 CA THR A 101 -8.958 8.883 4.066 1.00 0.00 C ATOM 1516 C THR A 101 -8.418 9.647 2.863 1.00 0.00 C ATOM 1517 O THR A 101 -8.196 10.856 2.934 1.00 0.00 O ATOM 1518 CB THR A 101 -7.798 8.587 5.035 1.00 0.00 C ATOM 1519 OG1 THR A 101 -8.296 7.943 6.213 1.00 0.00 O ATOM 1520 CG2 THR A 101 -7.073 9.868 5.419 1.00 0.00 C ATOM 0 H THR A 101 -9.064 6.815 3.741 1.00 0.00 H new ATOM 0 HA THR A 101 -9.701 9.494 4.577 1.00 0.00 H new ATOM 0 HB THR A 101 -7.092 7.926 4.531 1.00 0.00 H new ATOM 0 HG1 THR A 101 -8.086 8.490 6.999 1.00 0.00 H new ATOM 0 HG21 THR A 101 -6.258 9.634 6.104 1.00 0.00 H new ATOM 0 HG22 THR A 101 -6.670 10.340 4.523 1.00 0.00 H new ATOM 0 HG23 THR A 101 -7.771 10.549 5.905 1.00 0.00 H new ATOM 1528 N GLN A 102 -8.210 8.935 1.760 1.00 0.00 N ATOM 1529 CA GLN A 102 -7.696 9.548 0.542 1.00 0.00 C ATOM 1530 C GLN A 102 -8.392 8.978 -0.690 1.00 0.00 C ATOM 1531 O GLN A 102 -9.239 9.634 -1.295 1.00 0.00 O ATOM 1532 CB GLN A 102 -6.186 9.332 0.435 1.00 0.00 C ATOM 1533 CG GLN A 102 -5.607 9.733 -0.912 1.00 0.00 C ATOM 1534 CD GLN A 102 -5.715 11.223 -1.173 1.00 0.00 C ATOM 1535 OE1 GLN A 102 -6.781 11.818 -1.010 1.00 0.00 O ATOM 1536 NE2 GLN A 102 -4.609 11.835 -1.581 1.00 0.00 N ATOM 0 H GLN A 102 -8.390 7.934 1.685 1.00 0.00 H new ATOM 0 HA GLN A 102 -7.900 10.618 0.590 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -5.689 9.904 1.219 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -5.964 8.281 0.618 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -4.559 9.435 -0.956 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -6.126 9.191 -1.702 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -3.747 11.303 -1.703 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -4.621 12.837 -1.772 1.00 0.00 H new ATOM 1545 N ALA A 103 -8.028 7.753 -1.056 1.00 0.00 N ATOM 1546 CA ALA A 103 -8.618 7.095 -2.214 1.00 0.00 C ATOM 1547 C ALA A 103 -8.251 7.820 -3.504 1.00 0.00 C ATOM 1548 O ALA A 103 -8.599 8.987 -3.693 1.00 0.00 O ATOM 1549 CB ALA A 103 -10.130 7.015 -2.062 1.00 0.00 C ATOM 0 H ALA A 103 -7.327 7.197 -0.567 1.00 0.00 H new ATOM 0 HA ALA A 103 -8.216 6.084 -2.270 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -10.558 6.521 -2.934 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -10.376 6.446 -1.166 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -10.541 8.021 -1.977 1.00 0.00 H new ATOM 1555 N LEU A 104 -7.547 7.124 -4.389 1.00 0.00 N ATOM 1556 CA LEU A 104 -7.132 7.702 -5.663 1.00 0.00 C ATOM 1557 C LEU A 104 -7.246 6.679 -6.788 1.00 0.00 C ATOM 1558 O LEU A 104 -7.229 5.473 -6.547 1.00 0.00 O ATOM 1559 CB LEU A 104 -5.694 8.215 -5.568 1.00 0.00 C ATOM 1560 CG LEU A 104 -5.264 8.760 -4.206 1.00 0.00 C ATOM 1561 CD1 LEU A 104 -4.654 7.656 -3.357 1.00 0.00 C ATOM 1562 CD2 LEU A 104 -4.281 9.909 -4.377 1.00 0.00 C ATOM 0 H LEU A 104 -7.251 6.158 -4.248 1.00 0.00 H new ATOM 0 HA LEU A 104 -7.795 8.537 -5.888 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -5.021 7.402 -5.841 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -5.561 9.002 -6.310 1.00 0.00 H new ATOM 0 HG LEU A 104 -6.148 9.138 -3.692 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -4.354 8.063 -2.391 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -5.389 6.866 -3.205 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -3.781 7.247 -3.865 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -3.986 10.284 -3.397 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -3.399 9.557 -4.911 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -4.753 10.710 -4.945 1.00 0.00 H new ATOM 1574 N GLU A 105 -7.361 7.171 -8.018 1.00 0.00 N ATOM 1575 CA GLU A 105 -7.477 6.298 -9.181 1.00 0.00 C ATOM 1576 C GLU A 105 -6.111 6.060 -9.820 1.00 0.00 C ATOM 1577 O GLU A 105 -5.697 6.795 -10.718 1.00 0.00 O ATOM 1578 CB GLU A 105 -8.434 6.905 -10.209 1.00 0.00 C ATOM 1579 CG GLU A 105 -8.529 6.107 -11.498 1.00 0.00 C ATOM 1580 CD GLU A 105 -9.336 6.818 -12.567 1.00 0.00 C ATOM 1581 OE1 GLU A 105 -10.544 7.043 -12.348 1.00 0.00 O ATOM 1582 OE2 GLU A 105 -8.757 7.151 -13.622 1.00 0.00 O ATOM 0 H GLU A 105 -7.376 8.168 -8.235 1.00 0.00 H new ATOM 0 HA GLU A 105 -7.875 5.340 -8.846 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -9.427 6.984 -9.766 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -8.108 7.919 -10.442 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -7.525 5.913 -11.875 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -8.984 5.139 -11.289 1.00 0.00 H new ATOM 1589 N LEU A 106 -5.417 5.029 -9.351 1.00 0.00 N ATOM 1590 CA LEU A 106 -4.098 4.694 -9.876 1.00 0.00 C ATOM 1591 C LEU A 106 -4.148 4.489 -11.386 1.00 0.00 C ATOM 1592 O LEU A 106 -5.093 3.899 -11.913 1.00 0.00 O ATOM 1593 CB LEU A 106 -3.563 3.432 -9.196 1.00 0.00 C ATOM 1594 CG LEU A 106 -3.635 3.410 -7.669 1.00 0.00 C ATOM 1595 CD1 LEU A 106 -2.930 2.181 -7.118 1.00 0.00 C ATOM 1596 CD2 LEU A 106 -3.029 4.680 -7.088 1.00 0.00 C ATOM 0 H LEU A 106 -5.745 4.411 -8.609 1.00 0.00 H new ATOM 0 HA LEU A 106 -3.428 5.527 -9.664 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -4.117 2.575 -9.578 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -2.523 3.297 -9.493 1.00 0.00 H new ATOM 0 HG LEU A 106 -4.684 3.364 -7.375 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -2.992 2.183 -6.030 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -3.408 1.282 -7.507 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -1.883 2.195 -7.422 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -3.089 4.647 -6.000 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -1.985 4.757 -7.392 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -3.579 5.547 -7.456 1.00 0.00 H new ATOM 1608 N THR A 107 -3.125 4.977 -12.079 1.00 0.00 N ATOM 1609 CA THR A 107 -3.052 4.847 -13.529 1.00 0.00 C ATOM 1610 C THR A 107 -1.905 3.932 -13.942 1.00 0.00 C ATOM 1611 O THR A 107 -1.142 3.459 -13.099 1.00 0.00 O ATOM 1612 CB THR A 107 -2.869 6.218 -14.208 1.00 0.00 C ATOM 1613 OG1 THR A 107 -3.030 6.089 -15.625 1.00 0.00 O ATOM 1614 CG2 THR A 107 -1.496 6.796 -13.899 1.00 0.00 C ATOM 0 H THR A 107 -2.335 5.466 -11.659 1.00 0.00 H new ATOM 0 HA THR A 107 -3.997 4.411 -13.855 1.00 0.00 H new ATOM 0 HB THR A 107 -3.628 6.896 -13.817 1.00 0.00 H new ATOM 0 HG1 THR A 107 -3.786 5.495 -15.816 1.00 0.00 H new ATOM 0 HG21 THR A 107 -1.390 7.764 -14.389 1.00 0.00 H new ATOM 0 HG22 THR A 107 -1.388 6.921 -12.822 1.00 0.00 H new ATOM 0 HG23 THR A 107 -0.725 6.118 -14.265 1.00 0.00 H new ATOM 1622 N GLU A 108 -1.789 3.686 -15.243 1.00 0.00 N ATOM 1623 CA GLU A 108 -0.734 2.826 -15.766 1.00 0.00 C ATOM 1624 C GLU A 108 0.643 3.349 -15.366 1.00 0.00 C ATOM 1625 O GLU A 108 1.597 2.581 -15.237 1.00 0.00 O ATOM 1626 CB GLU A 108 -0.831 2.731 -17.290 1.00 0.00 C ATOM 1627 CG GLU A 108 -0.800 4.080 -17.988 1.00 0.00 C ATOM 1628 CD GLU A 108 -0.953 3.963 -19.492 1.00 0.00 C ATOM 1629 OE1 GLU A 108 -1.579 2.986 -19.951 1.00 0.00 O ATOM 1630 OE2 GLU A 108 -0.445 4.850 -20.210 1.00 0.00 O ATOM 0 H GLU A 108 -2.412 4.070 -15.954 1.00 0.00 H new ATOM 0 HA GLU A 108 -0.866 1.832 -15.338 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -0.007 2.121 -17.661 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -1.754 2.215 -17.555 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -1.599 4.707 -17.593 1.00 0.00 H new ATOM 0 HG3 GLU A 108 0.141 4.581 -17.760 1.00 0.00 H new ATOM 1637 N ASP A 109 0.738 4.660 -15.171 1.00 0.00 N ATOM 1638 CA ASP A 109 1.996 5.286 -14.784 1.00 0.00 C ATOM 1639 C ASP A 109 2.234 5.149 -13.284 1.00 0.00 C ATOM 1640 O ASP A 109 3.351 5.337 -12.802 1.00 0.00 O ATOM 1641 CB ASP A 109 1.998 6.764 -15.180 1.00 0.00 C ATOM 1642 CG ASP A 109 1.532 6.981 -16.606 1.00 0.00 C ATOM 1643 OD1 ASP A 109 2.205 6.485 -17.533 1.00 0.00 O ATOM 1644 OD2 ASP A 109 0.493 7.647 -16.795 1.00 0.00 O ATOM 0 H ASP A 109 -0.042 5.309 -15.275 1.00 0.00 H new ATOM 0 HA ASP A 109 2.803 4.775 -15.309 1.00 0.00 H new ATOM 0 HB2 ASP A 109 1.352 7.320 -14.501 1.00 0.00 H new ATOM 0 HB3 ASP A 109 3.004 7.167 -15.064 1.00 0.00 H new ATOM 1649 N ASP A 110 1.176 4.820 -12.550 1.00 0.00 N ATOM 1650 CA ASP A 110 1.269 4.657 -11.104 1.00 0.00 C ATOM 1651 C ASP A 110 1.455 3.189 -10.733 1.00 0.00 C ATOM 1652 O ASP A 110 1.829 2.867 -9.605 1.00 0.00 O ATOM 1653 CB ASP A 110 0.016 5.213 -10.425 1.00 0.00 C ATOM 1654 CG ASP A 110 -0.305 6.627 -10.869 1.00 0.00 C ATOM 1655 OD1 ASP A 110 0.641 7.376 -11.193 1.00 0.00 O ATOM 1656 OD2 ASP A 110 -1.501 6.983 -10.893 1.00 0.00 O ATOM 0 H ASP A 110 0.244 4.661 -12.933 1.00 0.00 H new ATOM 0 HA ASP A 110 2.139 5.214 -10.756 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -0.832 4.565 -10.647 1.00 0.00 H new ATOM 0 HB3 ASP A 110 0.155 5.198 -9.344 1.00 0.00 H new ATOM 1661 N ILE A 111 1.191 2.305 -11.689 1.00 0.00 N ATOM 1662 CA ILE A 111 1.329 0.872 -11.462 1.00 0.00 C ATOM 1663 C ILE A 111 2.357 0.262 -12.410 1.00 0.00 C ATOM 1664 O ILE A 111 2.318 -0.933 -12.701 1.00 0.00 O ATOM 1665 CB ILE A 111 -0.015 0.141 -11.642 1.00 0.00 C ATOM 1666 CG1 ILE A 111 -0.479 0.233 -13.097 1.00 0.00 C ATOM 1667 CG2 ILE A 111 -1.064 0.724 -10.707 1.00 0.00 C ATOM 1668 CD1 ILE A 111 -0.678 -1.115 -13.754 1.00 0.00 C ATOM 0 H ILE A 111 0.881 2.556 -12.628 1.00 0.00 H new ATOM 0 HA ILE A 111 1.667 0.747 -10.433 1.00 0.00 H new ATOM 0 HB ILE A 111 0.123 -0.911 -11.390 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -1.415 0.789 -13.137 1.00 0.00 H new ATOM 0 HG13 ILE A 111 0.254 0.802 -13.668 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -2.008 0.197 -10.846 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -0.734 0.611 -9.674 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -1.203 1.782 -10.930 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -1.007 -0.973 -14.783 1.00 0.00 H new ATOM 0 HD12 ILE A 111 0.262 -1.666 -13.746 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -1.433 -1.679 -13.206 1.00 0.00 H new ATOM 1680 N LYS A 112 3.279 1.092 -12.887 1.00 0.00 N ATOM 1681 CA LYS A 112 4.321 0.636 -13.799 1.00 0.00 C ATOM 1682 C LYS A 112 5.542 0.146 -13.028 1.00 0.00 C ATOM 1683 O LYS A 112 5.502 0.010 -11.806 1.00 0.00 O ATOM 1684 CB LYS A 112 4.724 1.765 -14.751 1.00 0.00 C ATOM 1685 CG LYS A 112 5.349 2.958 -14.049 1.00 0.00 C ATOM 1686 CD LYS A 112 6.339 3.678 -14.949 1.00 0.00 C ATOM 1687 CE LYS A 112 6.175 5.187 -14.863 1.00 0.00 C ATOM 1688 NZ LYS A 112 7.409 5.905 -15.289 1.00 0.00 N ATOM 0 H LYS A 112 3.325 2.085 -12.657 1.00 0.00 H new ATOM 0 HA LYS A 112 3.923 -0.196 -14.380 1.00 0.00 H new ATOM 0 HB2 LYS A 112 5.429 1.376 -15.485 1.00 0.00 H new ATOM 0 HB3 LYS A 112 3.843 2.098 -15.300 1.00 0.00 H new ATOM 0 HG2 LYS A 112 4.566 3.651 -13.740 1.00 0.00 H new ATOM 0 HG3 LYS A 112 5.855 2.624 -13.143 1.00 0.00 H new ATOM 0 HD2 LYS A 112 7.355 3.405 -14.666 1.00 0.00 H new ATOM 0 HD3 LYS A 112 6.198 3.354 -15.980 1.00 0.00 H new ATOM 0 HE2 LYS A 112 5.339 5.498 -15.490 1.00 0.00 H new ATOM 0 HE3 LYS A 112 5.927 5.467 -13.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 7.256 6.931 -15.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 8.201 5.628 -14.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 7.632 5.658 -16.274 1.00 0.00 H new ATOM 1702 N GLU A 113 6.627 -0.116 -13.751 1.00 0.00 N ATOM 1703 CA GLU A 113 7.860 -0.590 -13.134 1.00 0.00 C ATOM 1704 C GLU A 113 8.257 0.300 -11.960 1.00 0.00 C ATOM 1705 O GLU A 113 8.732 -0.185 -10.932 1.00 0.00 O ATOM 1706 CB GLU A 113 8.990 -0.629 -14.164 1.00 0.00 C ATOM 1707 CG GLU A 113 9.290 0.722 -14.790 1.00 0.00 C ATOM 1708 CD GLU A 113 10.121 0.608 -16.054 1.00 0.00 C ATOM 1709 OE1 GLU A 113 11.362 0.537 -15.944 1.00 0.00 O ATOM 1710 OE2 GLU A 113 9.528 0.590 -17.153 1.00 0.00 O ATOM 0 H GLU A 113 6.677 -0.008 -14.764 1.00 0.00 H new ATOM 0 HA GLU A 113 7.685 -1.599 -12.760 1.00 0.00 H new ATOM 0 HB2 GLU A 113 9.893 -1.007 -13.685 1.00 0.00 H new ATOM 0 HB3 GLU A 113 8.728 -1.335 -14.952 1.00 0.00 H new ATOM 0 HG2 GLU A 113 8.352 1.228 -15.021 1.00 0.00 H new ATOM 0 HG3 GLU A 113 9.818 1.344 -14.067 1.00 0.00 H new ATOM 1717 N ASP A 114 8.061 1.604 -12.121 1.00 0.00 N ATOM 1718 CA ASP A 114 8.398 2.562 -11.075 1.00 0.00 C ATOM 1719 C ASP A 114 7.185 3.411 -10.705 1.00 0.00 C ATOM 1720 O ASP A 114 7.313 4.598 -10.408 1.00 0.00 O ATOM 1721 CB ASP A 114 9.547 3.463 -11.530 1.00 0.00 C ATOM 1722 CG ASP A 114 10.509 3.788 -10.404 1.00 0.00 C ATOM 1723 OD1 ASP A 114 10.144 4.598 -9.527 1.00 0.00 O ATOM 1724 OD2 ASP A 114 11.626 3.231 -10.400 1.00 0.00 O ATOM 0 H ASP A 114 7.671 2.022 -12.966 1.00 0.00 H new ATOM 0 HA ASP A 114 8.712 2.004 -10.193 1.00 0.00 H new ATOM 0 HB2 ASP A 114 10.090 2.974 -12.338 1.00 0.00 H new ATOM 0 HB3 ASP A 114 9.140 4.390 -11.935 1.00 0.00 H new ATOM 1729 N GLY A 115 6.008 2.794 -10.726 1.00 0.00 N ATOM 1730 CA GLY A 115 4.790 3.508 -10.392 1.00 0.00 C ATOM 1731 C GLY A 115 4.814 4.069 -8.984 1.00 0.00 C ATOM 1732 O GLY A 115 5.289 3.413 -8.056 1.00 0.00 O ATOM 0 H GLY A 115 5.876 1.812 -10.968 1.00 0.00 H new ATOM 0 HA2 GLY A 115 4.644 4.322 -11.102 1.00 0.00 H new ATOM 0 HA3 GLY A 115 3.938 2.836 -10.498 1.00 0.00 H new ATOM 1736 N ILE A 116 4.301 5.284 -8.824 1.00 0.00 N ATOM 1737 CA ILE A 116 4.267 5.932 -7.518 1.00 0.00 C ATOM 1738 C ILE A 116 2.940 6.649 -7.295 1.00 0.00 C ATOM 1739 O ILE A 116 2.431 7.329 -8.187 1.00 0.00 O ATOM 1740 CB ILE A 116 5.417 6.944 -7.362 1.00 0.00 C ATOM 1741 CG1 ILE A 116 5.368 7.595 -5.978 1.00 0.00 C ATOM 1742 CG2 ILE A 116 5.344 8.002 -8.453 1.00 0.00 C ATOM 1743 CD1 ILE A 116 5.440 6.601 -4.840 1.00 0.00 C ATOM 0 H ILE A 116 3.903 5.839 -9.581 1.00 0.00 H new ATOM 0 HA ILE A 116 4.382 5.146 -6.772 1.00 0.00 H new ATOM 0 HB ILE A 116 6.364 6.413 -7.461 1.00 0.00 H new ATOM 0 HG12 ILE A 116 6.195 8.299 -5.887 1.00 0.00 H new ATOM 0 HG13 ILE A 116 4.447 8.171 -5.889 1.00 0.00 H new ATOM 0 HG21 ILE A 116 6.164 8.710 -8.329 1.00 0.00 H new ATOM 0 HG22 ILE A 116 5.422 7.524 -9.429 1.00 0.00 H new ATOM 0 HG23 ILE A 116 4.394 8.531 -8.383 1.00 0.00 H new ATOM 0 HD11 ILE A 116 5.400 7.133 -3.889 1.00 0.00 H new ATOM 0 HD12 ILE A 116 4.599 5.911 -4.906 1.00 0.00 H new ATOM 0 HD13 ILE A 116 6.373 6.042 -4.904 1.00 0.00 H new ATOM 1755 N VAL A 117 2.383 6.493 -6.098 1.00 0.00 N ATOM 1756 CA VAL A 117 1.116 7.128 -5.756 1.00 0.00 C ATOM 1757 C VAL A 117 1.300 8.161 -4.649 1.00 0.00 C ATOM 1758 O VAL A 117 1.360 7.833 -3.464 1.00 0.00 O ATOM 1759 CB VAL A 117 0.072 6.089 -5.305 1.00 0.00 C ATOM 1760 CG1 VAL A 117 -1.304 6.729 -5.194 1.00 0.00 C ATOM 1761 CG2 VAL A 117 0.045 4.910 -6.266 1.00 0.00 C ATOM 0 H VAL A 117 2.789 5.932 -5.349 1.00 0.00 H new ATOM 0 HA VAL A 117 0.757 7.625 -6.657 1.00 0.00 H new ATOM 0 HB VAL A 117 0.355 5.719 -4.320 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -2.029 5.980 -4.874 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -1.271 7.538 -4.464 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -1.599 7.128 -6.164 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -0.698 4.186 -5.932 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -0.213 5.261 -7.265 1.00 0.00 H new ATOM 0 HG23 VAL A 117 1.027 4.438 -6.290 1.00 0.00 H new ATOM 1771 N PRO A 118 1.390 9.440 -5.043 1.00 0.00 N ATOM 1772 CA PRO A 118 1.567 10.547 -4.100 1.00 0.00 C ATOM 1773 C PRO A 118 0.322 10.794 -3.254 1.00 0.00 C ATOM 1774 O PRO A 118 -0.699 11.263 -3.757 1.00 0.00 O ATOM 1775 CB PRO A 118 1.842 11.748 -5.009 1.00 0.00 C ATOM 1776 CG PRO A 118 1.199 11.395 -6.306 1.00 0.00 C ATOM 1777 CD PRO A 118 1.326 9.903 -6.439 1.00 0.00 C ATOM 0 HA PRO A 118 2.363 10.347 -3.383 1.00 0.00 H new ATOM 0 HB2 PRO A 118 1.420 12.664 -4.594 1.00 0.00 H new ATOM 0 HB3 PRO A 118 2.912 11.916 -5.130 1.00 0.00 H new ATOM 0 HG2 PRO A 118 0.153 11.700 -6.319 1.00 0.00 H new ATOM 0 HG3 PRO A 118 1.689 11.904 -7.136 1.00 0.00 H new ATOM 0 HD2 PRO A 118 0.475 9.473 -6.966 1.00 0.00 H new ATOM 0 HD3 PRO A 118 2.220 9.624 -6.996 1.00 0.00 H new ATOM 1785 N LEU A 119 0.414 10.474 -1.968 1.00 0.00 N ATOM 1786 CA LEU A 119 -0.706 10.662 -1.052 1.00 0.00 C ATOM 1787 C LEU A 119 -0.614 12.012 -0.348 1.00 0.00 C ATOM 1788 O LEU A 119 0.213 12.852 -0.702 1.00 0.00 O ATOM 1789 CB LEU A 119 -0.738 9.536 -0.017 1.00 0.00 C ATOM 1790 CG LEU A 119 -0.583 8.116 -0.565 1.00 0.00 C ATOM 1791 CD1 LEU A 119 0.079 7.215 0.467 1.00 0.00 C ATOM 1792 CD2 LEU A 119 -1.935 7.554 -0.978 1.00 0.00 C ATOM 0 H LEU A 119 1.252 10.084 -1.536 1.00 0.00 H new ATOM 0 HA LEU A 119 -1.627 10.639 -1.634 1.00 0.00 H new ATOM 0 HB2 LEU A 119 0.057 9.713 0.708 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -1.682 9.594 0.525 1.00 0.00 H new ATOM 0 HG LEU A 119 0.057 8.155 -1.447 1.00 0.00 H new ATOM 0 HD11 LEU A 119 0.181 6.209 0.060 1.00 0.00 H new ATOM 0 HD12 LEU A 119 1.065 7.608 0.714 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -0.534 7.181 1.367 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -1.806 6.543 -1.365 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -2.598 7.529 -0.113 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -2.371 8.186 -1.752 1.00 0.00 H new ATOM 1804 N ARG A 120 -1.467 12.212 0.651 1.00 0.00 N ATOM 1805 CA ARG A 120 -1.481 13.460 1.405 1.00 0.00 C ATOM 1806 C ARG A 120 -1.066 13.223 2.855 1.00 0.00 C ATOM 1807 O ARG A 120 -1.884 12.835 3.690 1.00 0.00 O ATOM 1808 CB ARG A 120 -2.873 14.093 1.359 1.00 0.00 C ATOM 1809 CG ARG A 120 -4.005 13.086 1.486 1.00 0.00 C ATOM 1810 CD ARG A 120 -5.364 13.757 1.361 1.00 0.00 C ATOM 1811 NE ARG A 120 -5.593 14.280 0.017 1.00 0.00 N ATOM 1812 CZ ARG A 120 -5.291 15.521 -0.350 1.00 0.00 C ATOM 1813 NH1 ARG A 120 -4.750 16.360 0.521 1.00 0.00 N ATOM 1814 NH2 ARG A 120 -5.531 15.923 -1.592 1.00 0.00 N ATOM 0 H ARG A 120 -2.157 11.526 0.957 1.00 0.00 H new ATOM 0 HA ARG A 120 -0.764 14.141 0.946 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -2.957 14.824 2.163 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -2.985 14.636 0.421 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -3.903 12.323 0.715 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -3.936 12.578 2.448 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -6.147 13.040 1.610 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -5.435 14.570 2.084 1.00 0.00 H new ATOM 0 HE ARG A 120 -6.007 13.659 -0.678 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -4.564 16.054 1.476 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -4.519 17.312 0.236 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -5.947 15.279 -2.265 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -5.299 16.876 -1.874 1.00 0.00 H new ATOM 1828 N TYR A 121 0.208 13.460 3.146 1.00 0.00 N ATOM 1829 CA TYR A 121 0.732 13.271 4.493 1.00 0.00 C ATOM 1830 C TYR A 121 -0.044 14.111 5.503 1.00 0.00 C ATOM 1831 O TYR A 121 -0.061 13.810 6.697 1.00 0.00 O ATOM 1832 CB TYR A 121 2.216 13.636 4.542 1.00 0.00 C ATOM 1833 CG TYR A 121 2.471 15.125 4.614 1.00 0.00 C ATOM 1834 CD1 TYR A 121 1.954 15.985 3.652 1.00 0.00 C ATOM 1835 CD2 TYR A 121 3.229 15.672 5.642 1.00 0.00 C ATOM 1836 CE1 TYR A 121 2.185 17.346 3.713 1.00 0.00 C ATOM 1837 CE2 TYR A 121 3.464 17.031 5.711 1.00 0.00 C ATOM 1838 CZ TYR A 121 2.940 17.864 4.745 1.00 0.00 C ATOM 1839 OH TYR A 121 3.172 19.219 4.810 1.00 0.00 O ATOM 0 H TYR A 121 0.897 13.783 2.467 1.00 0.00 H new ATOM 0 HA TYR A 121 0.615 12.220 4.756 1.00 0.00 H new ATOM 0 HB2 TYR A 121 2.671 13.156 5.408 1.00 0.00 H new ATOM 0 HB3 TYR A 121 2.710 13.234 3.658 1.00 0.00 H new ATOM 0 HD1 TYR A 121 1.362 15.583 2.843 1.00 0.00 H new ATOM 0 HD2 TYR A 121 3.642 15.023 6.400 1.00 0.00 H new ATOM 0 HE1 TYR A 121 1.777 18.001 2.957 1.00 0.00 H new ATOM 0 HE2 TYR A 121 4.055 17.439 6.517 1.00 0.00 H new ATOM 0 HH TYR A 121 3.720 19.420 5.598 1.00 0.00 H new ATOM 1849 N VAL A 122 -0.686 15.167 5.014 1.00 0.00 N ATOM 1850 CA VAL A 122 -1.466 16.052 5.872 1.00 0.00 C ATOM 1851 C VAL A 122 -2.543 15.279 6.625 1.00 0.00 C ATOM 1852 O VAL A 122 -3.029 15.722 7.665 1.00 0.00 O ATOM 1853 CB VAL A 122 -2.132 17.178 5.059 1.00 0.00 C ATOM 1854 CG1 VAL A 122 -3.046 16.597 3.991 1.00 0.00 C ATOM 1855 CG2 VAL A 122 -2.900 18.116 5.978 1.00 0.00 C ATOM 0 H VAL A 122 -0.682 15.431 4.029 1.00 0.00 H new ATOM 0 HA VAL A 122 -0.771 16.492 6.587 1.00 0.00 H new ATOM 0 HB VAL A 122 -1.352 17.753 4.561 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -3.508 17.407 3.427 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -2.464 15.970 3.315 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -3.823 15.996 4.464 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -3.364 18.905 5.387 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -3.672 17.557 6.506 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -2.215 18.559 6.701 1.00 0.00 H new ATOM 1865 N LYS A 123 -2.912 14.119 6.092 1.00 0.00 N ATOM 1866 CA LYS A 123 -3.930 13.280 6.713 1.00 0.00 C ATOM 1867 C LYS A 123 -3.293 12.115 7.463 1.00 0.00 C ATOM 1868 O LYS A 123 -3.844 11.620 8.446 1.00 0.00 O ATOM 1869 CB LYS A 123 -4.900 12.751 5.654 1.00 0.00 C ATOM 1870 CG LYS A 123 -5.549 13.844 4.823 1.00 0.00 C ATOM 1871 CD LYS A 123 -6.782 14.407 5.508 1.00 0.00 C ATOM 1872 CE LYS A 123 -6.412 15.439 6.562 1.00 0.00 C ATOM 1873 NZ LYS A 123 -7.425 16.527 6.654 1.00 0.00 N ATOM 0 H LYS A 123 -2.521 13.738 5.230 1.00 0.00 H new ATOM 0 HA LYS A 123 -4.481 13.890 7.428 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -4.365 12.071 4.991 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -5.679 12.169 6.146 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -4.831 14.645 4.649 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -5.824 13.445 3.847 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -7.436 14.863 4.765 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -7.344 13.596 5.972 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -6.316 14.950 7.531 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -5.439 15.868 6.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -7.136 17.210 7.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -7.499 17.011 5.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -8.349 16.121 6.906 1.00 0.00 H new ATOM 1887 N PHE A 124 -2.128 11.681 6.993 1.00 0.00 N ATOM 1888 CA PHE A 124 -1.415 10.574 7.619 1.00 0.00 C ATOM 1889 C PHE A 124 -0.247 11.084 8.458 1.00 0.00 C ATOM 1890 O PHE A 124 0.787 10.425 8.566 1.00 0.00 O ATOM 1891 CB PHE A 124 -0.905 9.600 6.554 1.00 0.00 C ATOM 1892 CG PHE A 124 -1.900 9.335 5.460 1.00 0.00 C ATOM 1893 CD1 PHE A 124 -2.951 8.454 5.660 1.00 0.00 C ATOM 1894 CD2 PHE A 124 -1.783 9.965 4.232 1.00 0.00 C ATOM 1895 CE1 PHE A 124 -3.867 8.207 4.655 1.00 0.00 C ATOM 1896 CE2 PHE A 124 -2.696 9.722 3.223 1.00 0.00 C ATOM 1897 CZ PHE A 124 -3.740 8.843 3.435 1.00 0.00 C ATOM 0 H PHE A 124 -1.658 12.079 6.180 1.00 0.00 H new ATOM 0 HA PHE A 124 -2.111 10.052 8.276 1.00 0.00 H new ATOM 0 HB2 PHE A 124 0.009 10.000 6.114 1.00 0.00 H new ATOM 0 HB3 PHE A 124 -0.642 8.656 7.032 1.00 0.00 H new ATOM 0 HD1 PHE A 124 -3.055 7.955 6.612 1.00 0.00 H new ATOM 0 HD2 PHE A 124 -0.969 10.654 4.061 1.00 0.00 H new ATOM 0 HE1 PHE A 124 -4.681 7.518 4.823 1.00 0.00 H new ATOM 0 HE2 PHE A 124 -2.593 10.219 2.270 1.00 0.00 H new ATOM 0 HZ PHE A 124 -4.456 8.653 2.649 1.00 0.00 H new ATOM 1907 N GLN A 125 -0.421 12.262 9.049 1.00 0.00 N ATOM 1908 CA GLN A 125 0.619 12.861 9.877 1.00 0.00 C ATOM 1909 C GLN A 125 1.113 11.874 10.930 1.00 0.00 C ATOM 1910 O GLN A 125 2.272 11.917 11.339 1.00 0.00 O ATOM 1911 CB GLN A 125 0.093 14.127 10.556 1.00 0.00 C ATOM 1912 CG GLN A 125 -0.405 15.179 9.578 1.00 0.00 C ATOM 1913 CD GLN A 125 0.685 16.146 9.155 1.00 0.00 C ATOM 1914 OE1 GLN A 125 0.743 17.280 9.631 1.00 0.00 O ATOM 1915 NE2 GLN A 125 1.555 15.701 8.257 1.00 0.00 N ATOM 0 H GLN A 125 -1.271 12.820 8.970 1.00 0.00 H new ATOM 0 HA GLN A 125 1.456 13.124 9.230 1.00 0.00 H new ATOM 0 HB2 GLN A 125 -0.719 13.857 11.231 1.00 0.00 H new ATOM 0 HB3 GLN A 125 0.886 14.558 11.168 1.00 0.00 H new ATOM 0 HG2 GLN A 125 -0.810 14.685 8.695 1.00 0.00 H new ATOM 0 HG3 GLN A 125 -1.223 15.736 10.035 1.00 0.00 H new ATOM 0 HE21 GLN A 125 1.469 14.753 7.889 1.00 0.00 H new ATOM 0 HE22 GLN A 125 2.310 16.307 7.935 1.00 0.00 H new ATOM 1924 N ASN A 126 0.225 10.986 11.364 1.00 0.00 N ATOM 1925 CA ASN A 126 0.570 9.988 12.370 1.00 0.00 C ATOM 1926 C ASN A 126 -0.415 8.824 12.343 1.00 0.00 C ATOM 1927 O ASN A 126 -1.475 8.879 12.967 1.00 0.00 O ATOM 1928 CB ASN A 126 0.590 10.622 13.762 1.00 0.00 C ATOM 1929 CG ASN A 126 1.054 9.654 14.832 1.00 0.00 C ATOM 1930 OD1 ASN A 126 0.512 8.557 14.970 1.00 0.00 O ATOM 1931 ND2 ASN A 126 2.063 10.056 15.597 1.00 0.00 N ATOM 0 H ASN A 126 -0.739 10.937 11.035 1.00 0.00 H new ATOM 0 HA ASN A 126 1.564 9.605 12.139 1.00 0.00 H new ATOM 0 HB2 ASN A 126 1.247 11.491 13.753 1.00 0.00 H new ATOM 0 HB3 ASN A 126 -0.409 10.981 14.009 1.00 0.00 H new ATOM 0 HD21 ASN A 126 2.418 9.447 16.334 1.00 0.00 H new ATOM 0 HD22 ASN A 126 2.482 10.974 15.447 1.00 0.00 H new ATOM 1938 N VAL A 127 -0.059 7.770 11.615 1.00 0.00 N ATOM 1939 CA VAL A 127 -0.911 6.592 11.508 1.00 0.00 C ATOM 1940 C VAL A 127 -0.208 5.354 12.053 1.00 0.00 C ATOM 1941 O VAL A 127 0.994 5.174 11.858 1.00 0.00 O ATOM 1942 CB VAL A 127 -1.327 6.331 10.048 1.00 0.00 C ATOM 1943 CG1 VAL A 127 -1.822 7.613 9.397 1.00 0.00 C ATOM 1944 CG2 VAL A 127 -0.167 5.738 9.262 1.00 0.00 C ATOM 0 H VAL A 127 0.814 7.708 11.091 1.00 0.00 H new ATOM 0 HA VAL A 127 -1.803 6.791 12.102 1.00 0.00 H new ATOM 0 HB VAL A 127 -2.145 5.610 10.044 1.00 0.00 H new ATOM 0 HG11 VAL A 127 -2.111 7.409 8.366 1.00 0.00 H new ATOM 0 HG12 VAL A 127 -2.683 7.992 9.948 1.00 0.00 H new ATOM 0 HG13 VAL A 127 -1.027 8.358 9.410 1.00 0.00 H new ATOM 0 HG21 VAL A 127 -0.478 5.560 8.233 1.00 0.00 H new ATOM 0 HG22 VAL A 127 0.672 6.433 9.272 1.00 0.00 H new ATOM 0 HG23 VAL A 127 0.137 4.795 9.717 1.00 0.00 H new ATOM 1954 N ASN A 128 -0.965 4.503 12.737 1.00 0.00 N ATOM 1955 CA ASN A 128 -0.415 3.280 13.311 1.00 0.00 C ATOM 1956 C ASN A 128 -0.967 2.049 12.601 1.00 0.00 C ATOM 1957 O ASN A 128 -0.434 0.948 12.739 1.00 0.00 O ATOM 1958 CB ASN A 128 -0.733 3.206 14.806 1.00 0.00 C ATOM 1959 CG ASN A 128 -0.445 1.837 15.391 1.00 0.00 C ATOM 1960 OD1 ASN A 128 0.642 1.589 15.915 1.00 0.00 O ATOM 1961 ND2 ASN A 128 -1.420 0.940 15.305 1.00 0.00 N ATOM 0 H ASN A 128 -1.962 4.638 12.908 1.00 0.00 H new ATOM 0 HA ASN A 128 0.666 3.300 13.177 1.00 0.00 H new ATOM 0 HB2 ASN A 128 -0.146 3.956 15.337 1.00 0.00 H new ATOM 0 HB3 ASN A 128 -1.783 3.452 14.964 1.00 0.00 H new ATOM 0 HD21 ASN A 128 -1.285 0.002 15.682 1.00 0.00 H new ATOM 0 HD22 ASN A 128 -2.305 1.189 14.862 1.00 0.00 H new ATOM 1968 N SER A 129 -2.040 2.242 11.840 1.00 0.00 N ATOM 1969 CA SER A 129 -2.667 1.147 11.109 1.00 0.00 C ATOM 1970 C SER A 129 -3.318 1.653 9.826 1.00 0.00 C ATOM 1971 O SER A 129 -4.196 2.515 9.859 1.00 0.00 O ATOM 1972 CB SER A 129 -3.711 0.454 11.986 1.00 0.00 C ATOM 1973 OG SER A 129 -4.678 1.378 12.455 1.00 0.00 O ATOM 0 H SER A 129 -2.493 3.147 11.714 1.00 0.00 H new ATOM 0 HA SER A 129 -1.892 0.429 10.843 1.00 0.00 H new ATOM 0 HB2 SER A 129 -4.203 -0.335 11.417 1.00 0.00 H new ATOM 0 HB3 SER A 129 -3.219 -0.024 12.833 1.00 0.00 H new ATOM 0 HG SER A 129 -4.854 2.048 11.761 1.00 0.00 H new ATOM 1979 N VAL A 130 -2.881 1.109 8.694 1.00 0.00 N ATOM 1980 CA VAL A 130 -3.421 1.503 7.398 1.00 0.00 C ATOM 1981 C VAL A 130 -3.981 0.300 6.648 1.00 0.00 C ATOM 1982 O VAL A 130 -3.413 -0.791 6.689 1.00 0.00 O ATOM 1983 CB VAL A 130 -2.349 2.185 6.527 1.00 0.00 C ATOM 1984 CG1 VAL A 130 -1.106 1.314 6.432 1.00 0.00 C ATOM 1985 CG2 VAL A 130 -2.903 2.490 5.143 1.00 0.00 C ATOM 0 H VAL A 130 -2.155 0.394 8.649 1.00 0.00 H new ATOM 0 HA VAL A 130 -4.225 2.213 7.592 1.00 0.00 H new ATOM 0 HB VAL A 130 -2.068 3.128 6.997 1.00 0.00 H new ATOM 0 HG11 VAL A 130 -0.359 1.812 5.813 1.00 0.00 H new ATOM 0 HG12 VAL A 130 -0.699 1.150 7.430 1.00 0.00 H new ATOM 0 HG13 VAL A 130 -1.367 0.355 5.985 1.00 0.00 H new ATOM 0 HG21 VAL A 130 -2.133 2.972 4.541 1.00 0.00 H new ATOM 0 HG22 VAL A 130 -3.212 1.562 4.662 1.00 0.00 H new ATOM 0 HG23 VAL A 130 -3.762 3.155 5.233 1.00 0.00 H new ATOM 1995 N THR A 131 -5.101 0.507 5.961 1.00 0.00 N ATOM 1996 CA THR A 131 -5.739 -0.560 5.201 1.00 0.00 C ATOM 1997 C THR A 131 -6.083 -0.099 3.789 1.00 0.00 C ATOM 1998 O THR A 131 -6.441 1.059 3.574 1.00 0.00 O ATOM 1999 CB THR A 131 -7.022 -1.054 5.895 1.00 0.00 C ATOM 2000 OG1 THR A 131 -6.708 -1.579 7.189 1.00 0.00 O ATOM 2001 CG2 THR A 131 -7.711 -2.124 5.061 1.00 0.00 C ATOM 0 H THR A 131 -5.584 1.404 5.916 1.00 0.00 H new ATOM 0 HA THR A 131 -5.025 -1.381 5.148 1.00 0.00 H new ATOM 0 HB THR A 131 -7.700 -0.207 6.002 1.00 0.00 H new ATOM 0 HG1 THR A 131 -7.529 -1.889 7.624 1.00 0.00 H new ATOM 0 HG21 THR A 131 -8.615 -2.457 5.571 1.00 0.00 H new ATOM 0 HG22 THR A 131 -7.975 -1.712 4.087 1.00 0.00 H new ATOM 0 HG23 THR A 131 -7.037 -2.970 4.926 1.00 0.00 H new ATOM 2009 N ILE A 132 -5.974 -1.013 2.830 1.00 0.00 N ATOM 2010 CA ILE A 132 -6.276 -0.700 1.439 1.00 0.00 C ATOM 2011 C ILE A 132 -7.257 -1.707 0.849 1.00 0.00 C ATOM 2012 O ILE A 132 -6.988 -2.909 0.821 1.00 0.00 O ATOM 2013 CB ILE A 132 -5.000 -0.677 0.577 1.00 0.00 C ATOM 2014 CG1 ILE A 132 -4.045 0.412 1.070 1.00 0.00 C ATOM 2015 CG2 ILE A 132 -5.353 -0.458 -0.886 1.00 0.00 C ATOM 2016 CD1 ILE A 132 -2.602 -0.036 1.142 1.00 0.00 C ATOM 0 H ILE A 132 -5.679 -1.976 2.991 1.00 0.00 H new ATOM 0 HA ILE A 132 -6.728 0.292 1.430 1.00 0.00 H new ATOM 0 HB ILE A 132 -4.500 -1.641 0.669 1.00 0.00 H new ATOM 0 HG12 ILE A 132 -4.117 1.274 0.407 1.00 0.00 H new ATOM 0 HG13 ILE A 132 -4.364 0.743 2.058 1.00 0.00 H new ATOM 0 HG21 ILE A 132 -4.441 -0.444 -1.482 1.00 0.00 H new ATOM 0 HG22 ILE A 132 -5.999 -1.266 -1.229 1.00 0.00 H new ATOM 0 HG23 ILE A 132 -5.873 0.494 -0.996 1.00 0.00 H new ATOM 0 HD11 ILE A 132 -1.983 0.787 1.499 1.00 0.00 H new ATOM 0 HD12 ILE A 132 -2.516 -0.879 1.828 1.00 0.00 H new ATOM 0 HD13 ILE A 132 -2.265 -0.340 0.151 1.00 0.00 H new ATOM 2028 N PHE A 133 -8.395 -1.210 0.377 1.00 0.00 N ATOM 2029 CA PHE A 133 -9.416 -2.067 -0.214 1.00 0.00 C ATOM 2030 C PHE A 133 -9.434 -1.924 -1.733 1.00 0.00 C ATOM 2031 O PHE A 133 -9.595 -0.824 -2.263 1.00 0.00 O ATOM 2032 CB PHE A 133 -10.793 -1.724 0.358 1.00 0.00 C ATOM 2033 CG PHE A 133 -11.928 -2.375 -0.380 1.00 0.00 C ATOM 2034 CD1 PHE A 133 -11.849 -3.703 -0.766 1.00 0.00 C ATOM 2035 CD2 PHE A 133 -13.074 -1.659 -0.686 1.00 0.00 C ATOM 2036 CE1 PHE A 133 -12.891 -4.305 -1.445 1.00 0.00 C ATOM 2037 CE2 PHE A 133 -14.120 -2.256 -1.365 1.00 0.00 C ATOM 2038 CZ PHE A 133 -14.029 -3.581 -1.744 1.00 0.00 C ATOM 0 H PHE A 133 -8.634 -0.218 0.392 1.00 0.00 H new ATOM 0 HA PHE A 133 -9.174 -3.101 0.033 1.00 0.00 H new ATOM 0 HB2 PHE A 133 -10.829 -2.028 1.404 1.00 0.00 H new ATOM 0 HB3 PHE A 133 -10.928 -0.643 0.335 1.00 0.00 H new ATOM 0 HD1 PHE A 133 -10.963 -4.275 -0.534 1.00 0.00 H new ATOM 0 HD2 PHE A 133 -13.151 -0.623 -0.391 1.00 0.00 H new ATOM 0 HE1 PHE A 133 -12.816 -5.341 -1.742 1.00 0.00 H new ATOM 0 HE2 PHE A 133 -15.007 -1.687 -1.599 1.00 0.00 H new ATOM 0 HZ PHE A 133 -14.846 -4.050 -2.273 1.00 0.00 H new ATOM 2048 N VAL A 134 -9.267 -3.044 -2.429 1.00 0.00 N ATOM 2049 CA VAL A 134 -9.264 -3.045 -3.887 1.00 0.00 C ATOM 2050 C VAL A 134 -10.685 -3.015 -4.440 1.00 0.00 C ATOM 2051 O VAL A 134 -11.516 -3.850 -4.086 1.00 0.00 O ATOM 2052 CB VAL A 134 -8.534 -4.280 -4.447 1.00 0.00 C ATOM 2053 CG1 VAL A 134 -8.562 -4.274 -5.967 1.00 0.00 C ATOM 2054 CG2 VAL A 134 -7.103 -4.331 -3.932 1.00 0.00 C ATOM 0 H VAL A 134 -9.132 -3.963 -2.006 1.00 0.00 H new ATOM 0 HA VAL A 134 -8.735 -2.146 -4.202 1.00 0.00 H new ATOM 0 HB VAL A 134 -9.053 -5.174 -4.102 1.00 0.00 H new ATOM 0 HG11 VAL A 134 -8.041 -5.154 -6.344 1.00 0.00 H new ATOM 0 HG12 VAL A 134 -9.596 -4.289 -6.312 1.00 0.00 H new ATOM 0 HG13 VAL A 134 -8.069 -3.375 -6.336 1.00 0.00 H new ATOM 0 HG21 VAL A 134 -6.602 -5.210 -4.337 1.00 0.00 H new ATOM 0 HG22 VAL A 134 -6.571 -3.433 -4.246 1.00 0.00 H new ATOM 0 HG23 VAL A 134 -7.110 -4.387 -2.843 1.00 0.00 H new ATOM 2064 N GLN A 135 -10.955 -2.047 -5.309 1.00 0.00 N ATOM 2065 CA GLN A 135 -12.277 -1.908 -5.910 1.00 0.00 C ATOM 2066 C GLN A 135 -12.239 -2.257 -7.394 1.00 0.00 C ATOM 2067 O GLN A 135 -12.864 -3.223 -7.831 1.00 0.00 O ATOM 2068 CB GLN A 135 -12.798 -0.482 -5.723 1.00 0.00 C ATOM 2069 CG GLN A 135 -14.256 -0.419 -5.296 1.00 0.00 C ATOM 2070 CD GLN A 135 -14.543 0.749 -4.374 1.00 0.00 C ATOM 2071 OE1 GLN A 135 -13.763 1.698 -4.293 1.00 0.00 O ATOM 2072 NE2 GLN A 135 -15.668 0.687 -3.671 1.00 0.00 N ATOM 0 H GLN A 135 -10.277 -1.348 -5.613 1.00 0.00 H new ATOM 0 HA GLN A 135 -12.951 -2.602 -5.409 1.00 0.00 H new ATOM 0 HB2 GLN A 135 -12.187 0.024 -4.976 1.00 0.00 H new ATOM 0 HB3 GLN A 135 -12.678 0.066 -6.658 1.00 0.00 H new ATOM 0 HG2 GLN A 135 -14.887 -0.342 -6.181 1.00 0.00 H new ATOM 0 HG3 GLN A 135 -14.524 -1.348 -4.793 1.00 0.00 H new ATOM 0 HE21 GLN A 135 -16.286 -0.118 -3.768 1.00 0.00 H new ATOM 0 HE22 GLN A 135 -15.914 1.445 -3.034 1.00 0.00 H new ATOM 2081 N SER A 136 -11.501 -1.465 -8.165 1.00 0.00 N ATOM 2082 CA SER A 136 -11.384 -1.688 -9.602 1.00 0.00 C ATOM 2083 C SER A 136 -9.920 -1.721 -10.030 1.00 0.00 C ATOM 2084 O SER A 136 -9.033 -1.325 -9.276 1.00 0.00 O ATOM 2085 CB SER A 136 -12.128 -0.594 -10.371 1.00 0.00 C ATOM 2086 OG SER A 136 -13.287 -1.112 -11.001 1.00 0.00 O ATOM 0 H SER A 136 -10.975 -0.663 -7.819 1.00 0.00 H new ATOM 0 HA SER A 136 -11.833 -2.654 -9.833 1.00 0.00 H new ATOM 0 HB2 SER A 136 -12.409 0.208 -9.688 1.00 0.00 H new ATOM 0 HB3 SER A 136 -11.467 -0.158 -11.120 1.00 0.00 H new ATOM 0 HG SER A 136 -13.746 -0.393 -11.484 1.00 0.00 H new ATOM 2092 N ASN A 137 -9.677 -2.198 -11.246 1.00 0.00 N ATOM 2093 CA ASN A 137 -8.320 -2.284 -11.776 1.00 0.00 C ATOM 2094 C ASN A 137 -8.111 -1.276 -12.901 1.00 0.00 C ATOM 2095 O ASN A 137 -8.983 -0.453 -13.180 1.00 0.00 O ATOM 2096 CB ASN A 137 -8.038 -3.699 -12.284 1.00 0.00 C ATOM 2097 CG ASN A 137 -9.247 -4.608 -12.166 1.00 0.00 C ATOM 2098 OD1 ASN A 137 -10.293 -4.347 -12.760 1.00 0.00 O ATOM 2099 ND2 ASN A 137 -9.107 -5.681 -11.396 1.00 0.00 N ATOM 0 H ASN A 137 -10.401 -2.531 -11.883 1.00 0.00 H new ATOM 0 HA ASN A 137 -7.625 -2.050 -10.969 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -7.723 -3.652 -13.326 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -7.209 -4.126 -11.719 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -9.886 -6.329 -11.278 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -8.221 -5.857 -10.923 1.00 0.00 H new ATOM 2106 N GLN A 138 -6.950 -1.347 -13.544 1.00 0.00 N ATOM 2107 CA GLN A 138 -6.626 -0.440 -14.639 1.00 0.00 C ATOM 2108 C GLN A 138 -7.583 -0.638 -15.810 1.00 0.00 C ATOM 2109 O GLN A 138 -8.319 0.275 -16.183 1.00 0.00 O ATOM 2110 CB GLN A 138 -5.184 -0.659 -15.101 1.00 0.00 C ATOM 2111 CG GLN A 138 -4.157 -0.476 -13.996 1.00 0.00 C ATOM 2112 CD GLN A 138 -4.039 0.966 -13.542 1.00 0.00 C ATOM 2113 OE1 GLN A 138 -3.850 1.871 -14.356 1.00 0.00 O ATOM 2114 NE2 GLN A 138 -4.149 1.188 -12.238 1.00 0.00 N ATOM 0 H GLN A 138 -6.218 -2.023 -13.326 1.00 0.00 H new ATOM 0 HA GLN A 138 -6.732 0.582 -14.275 1.00 0.00 H new ATOM 0 HB2 GLN A 138 -5.091 -1.665 -15.509 1.00 0.00 H new ATOM 0 HB3 GLN A 138 -4.961 0.035 -15.911 1.00 0.00 H new ATOM 0 HG2 GLN A 138 -4.430 -1.100 -13.145 1.00 0.00 H new ATOM 0 HG3 GLN A 138 -3.185 -0.823 -14.347 1.00 0.00 H new ATOM 0 HE21 GLN A 138 -4.305 0.408 -11.599 1.00 0.00 H new ATOM 0 HE22 GLN A 138 -4.077 2.138 -11.875 1.00 0.00 H new ATOM 2123 N GLY A 139 -7.567 -1.836 -16.386 1.00 0.00 N ATOM 2124 CA GLY A 139 -8.438 -2.131 -17.509 1.00 0.00 C ATOM 2125 C GLY A 139 -9.719 -2.821 -17.084 1.00 0.00 C ATOM 2126 O GLY A 139 -10.326 -3.551 -17.866 1.00 0.00 O ATOM 0 H GLY A 139 -6.967 -2.608 -16.095 1.00 0.00 H new ATOM 0 HA2 GLY A 139 -8.683 -1.204 -18.028 1.00 0.00 H new ATOM 0 HA3 GLY A 139 -7.907 -2.764 -18.220 1.00 0.00 H new ATOM 2130 N GLU A 140 -10.130 -2.590 -15.841 1.00 0.00 N ATOM 2131 CA GLU A 140 -11.346 -3.197 -15.313 1.00 0.00 C ATOM 2132 C GLU A 140 -11.338 -4.708 -15.530 1.00 0.00 C ATOM 2133 O GLU A 140 -12.356 -5.299 -15.887 1.00 0.00 O ATOM 2134 CB GLU A 140 -12.579 -2.582 -15.977 1.00 0.00 C ATOM 2135 CG GLU A 140 -12.621 -1.065 -15.897 1.00 0.00 C ATOM 2136 CD GLU A 140 -14.033 -0.517 -15.950 1.00 0.00 C ATOM 2137 OE1 GLU A 140 -14.699 -0.689 -16.993 1.00 0.00 O ATOM 2138 OE2 GLU A 140 -14.474 0.084 -14.948 1.00 0.00 O ATOM 0 H GLU A 140 -9.639 -1.987 -15.181 1.00 0.00 H new ATOM 0 HA GLU A 140 -11.384 -3.001 -14.241 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -12.605 -2.883 -17.024 1.00 0.00 H new ATOM 0 HB3 GLU A 140 -13.475 -2.987 -15.506 1.00 0.00 H new ATOM 0 HG2 GLU A 140 -12.144 -0.740 -14.972 1.00 0.00 H new ATOM 0 HG3 GLU A 140 -12.041 -0.645 -16.719 1.00 0.00 H new ATOM 2145 N GLU A 141 -10.180 -5.325 -15.314 1.00 0.00 N ATOM 2146 CA GLU A 141 -10.039 -6.766 -15.488 1.00 0.00 C ATOM 2147 C GLU A 141 -10.987 -7.521 -14.560 1.00 0.00 C ATOM 2148 O GLU A 141 -11.835 -6.920 -13.901 1.00 0.00 O ATOM 2149 CB GLU A 141 -8.596 -7.196 -15.218 1.00 0.00 C ATOM 2150 CG GLU A 141 -7.575 -6.474 -16.082 1.00 0.00 C ATOM 2151 CD GLU A 141 -7.420 -7.106 -17.452 1.00 0.00 C ATOM 2152 OE1 GLU A 141 -8.347 -7.824 -17.882 1.00 0.00 O ATOM 2153 OE2 GLU A 141 -6.372 -6.883 -18.094 1.00 0.00 O ATOM 0 H GLU A 141 -9.327 -4.850 -15.019 1.00 0.00 H new ATOM 0 HA GLU A 141 -10.296 -7.008 -16.519 1.00 0.00 H new ATOM 0 HB2 GLU A 141 -8.363 -7.017 -14.168 1.00 0.00 H new ATOM 0 HB3 GLU A 141 -8.508 -8.269 -15.386 1.00 0.00 H new ATOM 0 HG2 GLU A 141 -7.874 -5.432 -16.198 1.00 0.00 H new ATOM 0 HG3 GLU A 141 -6.610 -6.474 -15.575 1.00 0.00 H new ATOM 2160 N GLU A 142 -10.837 -8.841 -14.517 1.00 0.00 N ATOM 2161 CA GLU A 142 -11.681 -9.678 -13.672 1.00 0.00 C ATOM 2162 C GLU A 142 -11.084 -9.817 -12.275 1.00 0.00 C ATOM 2163 O GLU A 142 -11.803 -10.030 -11.298 1.00 0.00 O ATOM 2164 CB GLU A 142 -11.859 -11.061 -14.302 1.00 0.00 C ATOM 2165 CG GLU A 142 -10.548 -11.737 -14.667 1.00 0.00 C ATOM 2166 CD GLU A 142 -10.666 -13.248 -14.718 1.00 0.00 C ATOM 2167 OE1 GLU A 142 -11.791 -13.750 -14.919 1.00 0.00 O ATOM 2168 OE2 GLU A 142 -9.631 -13.929 -14.557 1.00 0.00 O ATOM 0 H GLU A 142 -10.140 -9.354 -15.057 1.00 0.00 H new ATOM 0 HA GLU A 142 -12.656 -9.197 -13.586 1.00 0.00 H new ATOM 0 HB2 GLU A 142 -12.406 -11.699 -13.608 1.00 0.00 H new ATOM 0 HB3 GLU A 142 -12.471 -10.966 -15.199 1.00 0.00 H new ATOM 0 HG2 GLU A 142 -10.211 -11.370 -15.636 1.00 0.00 H new ATOM 0 HG3 GLU A 142 -9.786 -11.460 -13.939 1.00 0.00 H new ATOM 2175 N THR A 143 -9.763 -9.694 -12.187 1.00 0.00 N ATOM 2176 CA THR A 143 -9.069 -9.807 -10.910 1.00 0.00 C ATOM 2177 C THR A 143 -7.811 -8.945 -10.890 1.00 0.00 C ATOM 2178 O THR A 143 -7.241 -8.636 -11.937 1.00 0.00 O ATOM 2179 CB THR A 143 -8.681 -11.267 -10.609 1.00 0.00 C ATOM 2180 OG1 THR A 143 -7.632 -11.305 -9.636 1.00 0.00 O ATOM 2181 CG2 THR A 143 -8.230 -11.980 -11.875 1.00 0.00 C ATOM 0 H THR A 143 -9.153 -9.516 -12.985 1.00 0.00 H new ATOM 0 HA THR A 143 -9.759 -9.456 -10.143 1.00 0.00 H new ATOM 0 HB THR A 143 -9.560 -11.779 -10.216 1.00 0.00 H new ATOM 0 HG1 THR A 143 -7.284 -12.218 -9.566 1.00 0.00 H new ATOM 0 HG21 THR A 143 -7.961 -13.009 -11.637 1.00 0.00 H new ATOM 0 HG22 THR A 143 -9.041 -11.976 -12.603 1.00 0.00 H new ATOM 0 HG23 THR A 143 -7.364 -11.466 -12.293 1.00 0.00 H new ATOM 2189 N THR A 144 -7.383 -8.560 -9.693 1.00 0.00 N ATOM 2190 CA THR A 144 -6.193 -7.733 -9.536 1.00 0.00 C ATOM 2191 C THR A 144 -5.054 -8.522 -8.902 1.00 0.00 C ATOM 2192 O THR A 144 -5.208 -9.096 -7.824 1.00 0.00 O ATOM 2193 CB THR A 144 -6.482 -6.489 -8.674 1.00 0.00 C ATOM 2194 OG1 THR A 144 -7.757 -5.938 -9.023 1.00 0.00 O ATOM 2195 CG2 THR A 144 -5.400 -5.437 -8.863 1.00 0.00 C ATOM 0 H THR A 144 -7.843 -8.808 -8.817 1.00 0.00 H new ATOM 0 HA THR A 144 -5.898 -7.413 -10.535 1.00 0.00 H new ATOM 0 HB THR A 144 -6.492 -6.793 -7.627 1.00 0.00 H new ATOM 0 HG1 THR A 144 -7.866 -5.066 -8.590 1.00 0.00 H new ATOM 0 HG21 THR A 144 -5.625 -4.568 -8.245 1.00 0.00 H new ATOM 0 HG22 THR A 144 -4.435 -5.851 -8.570 1.00 0.00 H new ATOM 0 HG23 THR A 144 -5.363 -5.137 -9.910 1.00 0.00 H new ATOM 2203 N ARG A 145 -3.909 -8.547 -9.578 1.00 0.00 N ATOM 2204 CA ARG A 145 -2.744 -9.268 -9.080 1.00 0.00 C ATOM 2205 C ARG A 145 -1.752 -8.311 -8.424 1.00 0.00 C ATOM 2206 O ARG A 145 -1.230 -7.403 -9.072 1.00 0.00 O ATOM 2207 CB ARG A 145 -2.060 -10.025 -10.220 1.00 0.00 C ATOM 2208 CG ARG A 145 -2.689 -11.376 -10.517 1.00 0.00 C ATOM 2209 CD ARG A 145 -1.648 -12.387 -10.972 1.00 0.00 C ATOM 2210 NE ARG A 145 -1.639 -12.547 -12.424 1.00 0.00 N ATOM 2211 CZ ARG A 145 -0.643 -13.116 -13.094 1.00 0.00 C ATOM 2212 NH1 ARG A 145 0.418 -13.577 -12.446 1.00 0.00 N ATOM 2213 NH2 ARG A 145 -0.708 -13.225 -14.415 1.00 0.00 N ATOM 0 H ARG A 145 -3.764 -8.076 -10.471 1.00 0.00 H new ATOM 0 HA ARG A 145 -3.084 -9.983 -8.331 1.00 0.00 H new ATOM 0 HB2 ARG A 145 -2.091 -9.413 -11.121 1.00 0.00 H new ATOM 0 HB3 ARG A 145 -1.009 -10.170 -9.970 1.00 0.00 H new ATOM 0 HG2 ARG A 145 -3.193 -11.748 -9.625 1.00 0.00 H new ATOM 0 HG3 ARG A 145 -3.450 -11.263 -11.289 1.00 0.00 H new ATOM 0 HD2 ARG A 145 -0.661 -12.068 -10.636 1.00 0.00 H new ATOM 0 HD3 ARG A 145 -1.848 -13.350 -10.502 1.00 0.00 H new ATOM 0 HE ARG A 145 -2.441 -12.203 -12.952 1.00 0.00 H new ATOM 0 HH11 ARG A 145 0.471 -13.495 -11.431 1.00 0.00 H new ATOM 0 HH12 ARG A 145 1.181 -14.013 -12.963 1.00 0.00 H new ATOM 0 HH21 ARG A 145 -1.523 -12.872 -14.916 1.00 0.00 H new ATOM 0 HH22 ARG A 145 0.057 -13.662 -14.929 1.00 0.00 H new ATOM 2227 N ILE A 146 -1.499 -8.520 -7.137 1.00 0.00 N ATOM 2228 CA ILE A 146 -0.570 -7.677 -6.395 1.00 0.00 C ATOM 2229 C ILE A 146 0.819 -8.303 -6.341 1.00 0.00 C ATOM 2230 O ILE A 146 0.980 -9.446 -5.911 1.00 0.00 O ATOM 2231 CB ILE A 146 -1.063 -7.426 -4.958 1.00 0.00 C ATOM 2232 CG1 ILE A 146 -2.591 -7.346 -4.926 1.00 0.00 C ATOM 2233 CG2 ILE A 146 -0.449 -6.149 -4.402 1.00 0.00 C ATOM 2234 CD1 ILE A 146 -3.160 -6.294 -5.852 1.00 0.00 C ATOM 0 H ILE A 146 -1.924 -9.266 -6.586 1.00 0.00 H new ATOM 0 HA ILE A 146 -0.516 -6.726 -6.924 1.00 0.00 H new ATOM 0 HB ILE A 146 -0.748 -8.260 -4.331 1.00 0.00 H new ATOM 0 HG12 ILE A 146 -3.003 -8.318 -5.196 1.00 0.00 H new ATOM 0 HG13 ILE A 146 -2.915 -7.135 -3.907 1.00 0.00 H new ATOM 0 HG21 ILE A 146 -0.807 -5.986 -3.386 1.00 0.00 H new ATOM 0 HG22 ILE A 146 0.637 -6.241 -4.393 1.00 0.00 H new ATOM 0 HG23 ILE A 146 -0.736 -5.304 -5.028 1.00 0.00 H new ATOM 0 HD11 ILE A 146 -4.247 -6.293 -5.778 1.00 0.00 H new ATOM 0 HD12 ILE A 146 -2.776 -5.314 -5.569 1.00 0.00 H new ATOM 0 HD13 ILE A 146 -2.867 -6.516 -6.878 1.00 0.00 H new ATOM 2246 N SER A 147 1.821 -7.547 -6.780 1.00 0.00 N ATOM 2247 CA SER A 147 3.197 -8.029 -6.784 1.00 0.00 C ATOM 2248 C SER A 147 4.068 -7.192 -5.852 1.00 0.00 C ATOM 2249 O SER A 147 4.836 -7.729 -5.053 1.00 0.00 O ATOM 2250 CB SER A 147 3.768 -7.994 -8.203 1.00 0.00 C ATOM 2251 OG SER A 147 4.073 -6.667 -8.597 1.00 0.00 O ATOM 0 H SER A 147 1.705 -6.599 -7.137 1.00 0.00 H new ATOM 0 HA SER A 147 3.197 -9.058 -6.426 1.00 0.00 H new ATOM 0 HB2 SER A 147 4.668 -8.607 -8.252 1.00 0.00 H new ATOM 0 HB3 SER A 147 3.049 -8.427 -8.899 1.00 0.00 H new ATOM 0 HG SER A 147 4.438 -6.671 -9.507 1.00 0.00 H new ATOM 2257 N TYR A 148 3.944 -5.874 -5.961 1.00 0.00 N ATOM 2258 CA TYR A 148 4.721 -4.962 -5.131 1.00 0.00 C ATOM 2259 C TYR A 148 3.808 -3.999 -4.378 1.00 0.00 C ATOM 2260 O TYR A 148 2.996 -3.296 -4.980 1.00 0.00 O ATOM 2261 CB TYR A 148 5.712 -4.176 -5.990 1.00 0.00 C ATOM 2262 CG TYR A 148 6.793 -3.485 -5.190 1.00 0.00 C ATOM 2263 CD1 TYR A 148 7.497 -4.165 -4.204 1.00 0.00 C ATOM 2264 CD2 TYR A 148 7.110 -2.152 -5.420 1.00 0.00 C ATOM 2265 CE1 TYR A 148 8.485 -3.538 -3.470 1.00 0.00 C ATOM 2266 CE2 TYR A 148 8.097 -1.517 -4.691 1.00 0.00 C ATOM 2267 CZ TYR A 148 8.781 -2.213 -3.717 1.00 0.00 C ATOM 2268 OH TYR A 148 9.765 -1.585 -2.989 1.00 0.00 O ATOM 0 H TYR A 148 3.312 -5.413 -6.616 1.00 0.00 H new ATOM 0 HA TYR A 148 5.273 -5.556 -4.402 1.00 0.00 H new ATOM 0 HB2 TYR A 148 6.178 -4.854 -6.704 1.00 0.00 H new ATOM 0 HB3 TYR A 148 5.167 -3.430 -6.568 1.00 0.00 H new ATOM 0 HD1 TYR A 148 7.268 -5.202 -4.008 1.00 0.00 H new ATOM 0 HD2 TYR A 148 6.576 -1.603 -6.181 1.00 0.00 H new ATOM 0 HE1 TYR A 148 9.023 -4.082 -2.707 1.00 0.00 H new ATOM 0 HE2 TYR A 148 8.332 -0.480 -4.883 1.00 0.00 H new ATOM 0 HH TYR A 148 9.850 -0.655 -3.287 1.00 0.00 H new ATOM 2278 N PHE A 149 3.948 -3.972 -3.057 1.00 0.00 N ATOM 2279 CA PHE A 149 3.137 -3.096 -2.220 1.00 0.00 C ATOM 2280 C PHE A 149 3.945 -2.574 -1.035 1.00 0.00 C ATOM 2281 O PHE A 149 4.567 -3.345 -0.304 1.00 0.00 O ATOM 2282 CB PHE A 149 1.897 -3.839 -1.718 1.00 0.00 C ATOM 2283 CG PHE A 149 1.238 -3.179 -0.540 1.00 0.00 C ATOM 2284 CD1 PHE A 149 0.962 -1.821 -0.556 1.00 0.00 C ATOM 2285 CD2 PHE A 149 0.894 -3.916 0.581 1.00 0.00 C ATOM 2286 CE1 PHE A 149 0.357 -1.211 0.526 1.00 0.00 C ATOM 2287 CE2 PHE A 149 0.287 -3.312 1.666 1.00 0.00 C ATOM 2288 CZ PHE A 149 0.017 -1.958 1.638 1.00 0.00 C ATOM 0 H PHE A 149 4.616 -4.547 -2.543 1.00 0.00 H new ATOM 0 HA PHE A 149 2.823 -2.246 -2.826 1.00 0.00 H new ATOM 0 HB2 PHE A 149 1.176 -3.916 -2.531 1.00 0.00 H new ATOM 0 HB3 PHE A 149 2.179 -4.856 -1.444 1.00 0.00 H new ATOM 0 HD1 PHE A 149 1.223 -1.233 -1.424 1.00 0.00 H new ATOM 0 HD2 PHE A 149 1.103 -4.975 0.608 1.00 0.00 H new ATOM 0 HE1 PHE A 149 0.150 -0.151 0.503 1.00 0.00 H new ATOM 0 HE2 PHE A 149 0.024 -3.898 2.534 1.00 0.00 H new ATOM 0 HZ PHE A 149 -0.459 -1.484 2.483 1.00 0.00 H new ATOM 2298 N THR A 150 3.932 -1.257 -0.852 1.00 0.00 N ATOM 2299 CA THR A 150 4.664 -0.630 0.241 1.00 0.00 C ATOM 2300 C THR A 150 4.189 0.800 0.473 1.00 0.00 C ATOM 2301 O THR A 150 3.407 1.339 -0.311 1.00 0.00 O ATOM 2302 CB THR A 150 6.180 -0.618 -0.032 1.00 0.00 C ATOM 2303 OG1 THR A 150 6.896 -0.389 1.187 1.00 0.00 O ATOM 2304 CG2 THR A 150 6.538 0.459 -1.046 1.00 0.00 C ATOM 0 H THR A 150 3.422 -0.604 -1.447 1.00 0.00 H new ATOM 0 HA THR A 150 4.468 -1.224 1.134 1.00 0.00 H new ATOM 0 HB THR A 150 6.461 -1.589 -0.441 1.00 0.00 H new ATOM 0 HG1 THR A 150 7.556 -1.102 1.318 1.00 0.00 H new ATOM 0 HG21 THR A 150 7.613 0.449 -1.223 1.00 0.00 H new ATOM 0 HG22 THR A 150 6.014 0.266 -1.982 1.00 0.00 H new ATOM 0 HG23 THR A 150 6.243 1.435 -0.660 1.00 0.00 H new ATOM 2312 N PHE A 151 4.667 1.409 1.553 1.00 0.00 N ATOM 2313 CA PHE A 151 4.290 2.778 1.887 1.00 0.00 C ATOM 2314 C PHE A 151 5.518 3.683 1.937 1.00 0.00 C ATOM 2315 O PHE A 151 6.398 3.507 2.780 1.00 0.00 O ATOM 2316 CB PHE A 151 3.561 2.815 3.232 1.00 0.00 C ATOM 2317 CG PHE A 151 2.071 2.956 3.102 1.00 0.00 C ATOM 2318 CD1 PHE A 151 1.519 4.064 2.480 1.00 0.00 C ATOM 2319 CD2 PHE A 151 1.223 1.981 3.602 1.00 0.00 C ATOM 2320 CE1 PHE A 151 0.148 4.197 2.359 1.00 0.00 C ATOM 2321 CE2 PHE A 151 -0.148 2.108 3.483 1.00 0.00 C ATOM 2322 CZ PHE A 151 -0.686 3.218 2.862 1.00 0.00 C ATOM 0 H PHE A 151 5.315 0.977 2.211 1.00 0.00 H new ATOM 0 HA PHE A 151 3.621 3.145 1.108 1.00 0.00 H new ATOM 0 HB2 PHE A 151 3.785 1.902 3.783 1.00 0.00 H new ATOM 0 HB3 PHE A 151 3.947 3.646 3.823 1.00 0.00 H new ATOM 0 HD1 PHE A 151 2.167 4.833 2.085 1.00 0.00 H new ATOM 0 HD2 PHE A 151 1.638 1.112 4.090 1.00 0.00 H new ATOM 0 HE1 PHE A 151 -0.270 5.065 1.872 1.00 0.00 H new ATOM 0 HE2 PHE A 151 -0.798 1.340 3.875 1.00 0.00 H new ATOM 0 HZ PHE A 151 -1.757 3.320 2.770 1.00 0.00 H new ATOM 2332 N ILE A 152 5.569 4.651 1.028 1.00 0.00 N ATOM 2333 CA ILE A 152 6.688 5.584 0.968 1.00 0.00 C ATOM 2334 C ILE A 152 6.476 6.757 1.919 1.00 0.00 C ATOM 2335 O ILE A 152 5.413 7.375 1.932 1.00 0.00 O ATOM 2336 CB ILE A 152 6.894 6.124 -0.459 1.00 0.00 C ATOM 2337 CG1 ILE A 152 6.879 4.976 -1.470 1.00 0.00 C ATOM 2338 CG2 ILE A 152 8.200 6.900 -0.548 1.00 0.00 C ATOM 2339 CD1 ILE A 152 7.944 3.933 -1.214 1.00 0.00 C ATOM 0 H ILE A 152 4.849 4.810 0.323 1.00 0.00 H new ATOM 0 HA ILE A 152 7.578 5.031 1.270 1.00 0.00 H new ATOM 0 HB ILE A 152 6.074 6.802 -0.697 1.00 0.00 H new ATOM 0 HG12 ILE A 152 5.900 4.497 -1.449 1.00 0.00 H new ATOM 0 HG13 ILE A 152 7.014 5.383 -2.472 1.00 0.00 H new ATOM 0 HG21 ILE A 152 8.332 7.275 -1.563 1.00 0.00 H new ATOM 0 HG22 ILE A 152 8.173 7.738 0.148 1.00 0.00 H new ATOM 0 HG23 ILE A 152 9.032 6.243 -0.293 1.00 0.00 H new ATOM 0 HD11 ILE A 152 7.875 3.149 -1.968 1.00 0.00 H new ATOM 0 HD12 ILE A 152 8.928 4.398 -1.264 1.00 0.00 H new ATOM 0 HD13 ILE A 152 7.798 3.499 -0.225 1.00 0.00 H new ATOM 2351 N GLY A 153 7.499 7.060 2.713 1.00 0.00 N ATOM 2352 CA GLY A 153 7.406 8.160 3.655 1.00 0.00 C ATOM 2353 C GLY A 153 8.529 8.147 4.673 1.00 0.00 C ATOM 2354 O GLY A 153 9.675 7.840 4.343 1.00 0.00 O ATOM 0 H GLY A 153 8.390 6.563 2.720 1.00 0.00 H new ATOM 0 HA2 GLY A 153 7.425 9.104 3.110 1.00 0.00 H new ATOM 0 HA3 GLY A 153 6.449 8.110 4.174 1.00 0.00 H new ATOM 2358 N THR A 154 8.201 8.482 5.917 1.00 0.00 N ATOM 2359 CA THR A 154 9.191 8.511 6.987 1.00 0.00 C ATOM 2360 C THR A 154 8.520 8.543 8.356 1.00 0.00 C ATOM 2361 O THR A 154 7.368 8.952 8.500 1.00 0.00 O ATOM 2362 CB THR A 154 10.124 9.729 6.857 1.00 0.00 C ATOM 2363 OG1 THR A 154 10.377 10.293 8.149 1.00 0.00 O ATOM 2364 CG2 THR A 154 9.511 10.785 5.949 1.00 0.00 C ATOM 0 H THR A 154 7.257 8.737 6.208 1.00 0.00 H new ATOM 0 HA THR A 154 9.781 7.599 6.896 1.00 0.00 H new ATOM 0 HB THR A 154 11.063 9.394 6.417 1.00 0.00 H new ATOM 0 HG1 THR A 154 10.972 11.066 8.058 1.00 0.00 H new ATOM 0 HG21 THR A 154 10.188 11.636 5.872 1.00 0.00 H new ATOM 0 HG22 THR A 154 9.346 10.362 4.958 1.00 0.00 H new ATOM 0 HG23 THR A 154 8.559 11.115 6.365 1.00 0.00 H new ATOM 2372 N PRO A 155 9.256 8.101 9.387 1.00 0.00 N ATOM 2373 CA PRO A 155 8.752 8.071 10.763 1.00 0.00 C ATOM 2374 C PRO A 155 8.588 9.468 11.351 1.00 0.00 C ATOM 2375 O PRO A 155 9.442 10.335 11.165 1.00 0.00 O ATOM 2376 CB PRO A 155 9.834 7.296 11.519 1.00 0.00 C ATOM 2377 CG PRO A 155 11.076 7.504 10.723 1.00 0.00 C ATOM 2378 CD PRO A 155 10.637 7.599 9.288 1.00 0.00 C ATOM 0 HA PRO A 155 7.762 7.619 10.825 1.00 0.00 H new ATOM 0 HB2 PRO A 155 9.949 7.668 12.537 1.00 0.00 H new ATOM 0 HB3 PRO A 155 9.584 6.238 11.593 1.00 0.00 H new ATOM 0 HG2 PRO A 155 11.591 8.413 11.034 1.00 0.00 H new ATOM 0 HG3 PRO A 155 11.773 6.678 10.864 1.00 0.00 H new ATOM 0 HD2 PRO A 155 11.271 8.277 8.718 1.00 0.00 H new ATOM 0 HD3 PRO A 155 10.678 6.630 8.790 1.00 0.00 H new ATOM 2386 N VAL A 156 7.486 9.680 12.063 1.00 0.00 N ATOM 2387 CA VAL A 156 7.210 10.971 12.680 1.00 0.00 C ATOM 2388 C VAL A 156 8.401 11.453 13.501 1.00 0.00 C ATOM 2389 O VAL A 156 8.659 12.653 13.593 1.00 0.00 O ATOM 2390 CB VAL A 156 5.968 10.906 13.588 1.00 0.00 C ATOM 2391 CG1 VAL A 156 4.726 10.585 12.771 1.00 0.00 C ATOM 2392 CG2 VAL A 156 6.169 9.881 14.694 1.00 0.00 C ATOM 0 H VAL A 156 6.769 8.973 12.227 1.00 0.00 H new ATOM 0 HA VAL A 156 7.021 11.675 11.869 1.00 0.00 H new ATOM 0 HB VAL A 156 5.827 11.882 14.051 1.00 0.00 H new ATOM 0 HG11 VAL A 156 3.858 10.543 13.429 1.00 0.00 H new ATOM 0 HG12 VAL A 156 4.574 11.360 12.020 1.00 0.00 H new ATOM 0 HG13 VAL A 156 4.854 9.621 12.278 1.00 0.00 H new ATOM 0 HG21 VAL A 156 5.281 9.849 15.326 1.00 0.00 H new ATOM 0 HG22 VAL A 156 6.337 8.898 14.253 1.00 0.00 H new ATOM 0 HG23 VAL A 156 7.033 10.161 15.297 1.00 0.00 H new ATOM 2402 N GLN A 157 9.124 10.509 14.096 1.00 0.00 N ATOM 2403 CA GLN A 157 10.288 10.838 14.910 1.00 0.00 C ATOM 2404 C GLN A 157 11.218 9.636 15.041 1.00 0.00 C ATOM 2405 O GLN A 157 10.889 8.655 15.708 1.00 0.00 O ATOM 2406 CB GLN A 157 9.849 11.312 16.297 1.00 0.00 C ATOM 2407 CG GLN A 157 8.924 10.339 17.008 1.00 0.00 C ATOM 2408 CD GLN A 157 8.173 10.982 18.157 1.00 0.00 C ATOM 2409 OE1 GLN A 157 7.202 11.710 17.949 1.00 0.00 O ATOM 2410 NE2 GLN A 157 8.619 10.715 19.379 1.00 0.00 N ATOM 0 H GLN A 157 8.924 9.511 14.029 1.00 0.00 H new ATOM 0 HA GLN A 157 10.831 11.642 14.414 1.00 0.00 H new ATOM 0 HB2 GLN A 157 10.734 11.475 16.913 1.00 0.00 H new ATOM 0 HB3 GLN A 157 9.346 12.274 16.201 1.00 0.00 H new ATOM 0 HG2 GLN A 157 8.208 9.935 16.292 1.00 0.00 H new ATOM 0 HG3 GLN A 157 9.507 9.499 17.385 1.00 0.00 H new ATOM 0 HE21 GLN A 157 9.427 10.106 19.505 1.00 0.00 H new ATOM 0 HE22 GLN A 157 8.153 11.119 20.192 1.00 0.00 H new