USER MOD reduce.3.24.130724 H: found=0, std=0, add=764, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 765 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 96 TYR OH : rot 110:sc= 0.122 USER MOD Set 1.2: A 181 GLN : amide:sc= -0.218 X(o=-0.097,f=-0.062) USER MOD Single : A 98 GLN : amide:sc= -0.264 X(o=-0.26,f=-0.34) USER MOD Single : A 105 CYS SG : rot 29:sc= -3.23! USER MOD Single : A 107 ASN : amide:sc= -4.03! C(o=-4!,f=-4.2!) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 LYS NZ :NH3+ -106:sc=-0.00523 (180deg=-0.155) USER MOD Single : A 122 SER OG : rot 180:sc= 0.00169 USER MOD Single : A 125 LYS NZ :NH3+ 162:sc= -1.05 (180deg=-1.75) USER MOD Single : A 126 MET CE :methyl -136:sc= -0.424 (180deg=-2.85!) USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 TYR OH : rot 180:sc= 0 USER MOD Single : A 136 SER OG : rot 130:sc= -1.39 USER MOD Single : A 138 SER OG : rot 146:sc= 0.727 USER MOD Single : A 144 SER OG : rot -122:sc= 1.14 USER MOD Single : A 146 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 149 LYS NZ :NH3+ -144:sc= -1.98 (180deg=-3.77!) USER MOD Single : A 150 ASN : amide:sc= -3.66! K(o=-3.7!,f=-1.5) USER MOD Single : A 153 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 154 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 155 ASN : amide:sc= -0.352 X(o=-0.35,f=0) USER MOD Single : A 157 SER OG : rot -95:sc= 1.23 USER MOD Single : A 163 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 167 THR OG1 : rot 126:sc= 1.22 USER MOD Single : A 168 CYS SG : rot 97:sc= 0.207 USER MOD Single : A 171 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 183 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 89 9.771 10.791 12.497 1.00 1.92 N ATOM 2 CA ALA A 89 9.555 11.524 11.214 1.00 1.43 C ATOM 3 C ALA A 89 8.457 10.834 10.408 1.00 1.08 C ATOM 4 O ALA A 89 7.407 11.396 10.159 1.00 1.13 O ATOM 5 CB ALA A 89 10.894 11.445 10.479 1.00 1.90 C ATOM 0 HA ALA A 89 9.242 12.557 11.369 1.00 1.43 H new ATOM 0 HB1 ALA A 89 10.815 11.963 9.523 1.00 1.90 H new ATOM 0 HB2 ALA A 89 11.669 11.915 11.084 1.00 1.90 H new ATOM 0 HB3 ALA A 89 11.153 10.400 10.305 1.00 1.90 H new ATOM 11 N ALA A 90 8.690 9.610 10.022 1.00 0.96 N ATOM 12 CA ALA A 90 7.659 8.850 9.252 1.00 0.72 C ATOM 13 C ALA A 90 6.461 8.602 10.172 1.00 0.58 C ATOM 14 O ALA A 90 6.457 9.091 11.286 1.00 1.23 O ATOM 15 CB ALA A 90 8.352 7.540 8.863 1.00 1.03 C ATOM 0 H ALA A 90 9.553 9.099 10.207 1.00 0.96 H new ATOM 0 HA ALA A 90 7.291 9.371 8.368 1.00 0.72 H new ATOM 0 HB1 ALA A 90 7.662 6.919 8.292 1.00 1.03 H new ATOM 0 HB2 ALA A 90 9.230 7.759 8.256 1.00 1.03 H new ATOM 0 HB3 ALA A 90 8.657 7.008 9.764 1.00 1.03 H new ATOM 21 N PRO A 91 5.471 7.866 9.708 1.00 0.79 N ATOM 22 CA PRO A 91 4.296 7.615 10.570 1.00 1.10 C ATOM 23 C PRO A 91 4.723 6.776 11.783 1.00 0.60 C ATOM 24 O PRO A 91 5.076 5.623 11.633 1.00 0.91 O ATOM 25 CB PRO A 91 3.327 6.864 9.662 1.00 1.98 C ATOM 26 CG PRO A 91 4.188 6.250 8.612 1.00 2.18 C ATOM 27 CD PRO A 91 5.335 7.201 8.399 1.00 1.62 C ATOM 0 HA PRO A 91 3.841 8.519 10.974 1.00 1.10 H new ATOM 0 HB2 PRO A 91 2.775 6.104 10.215 1.00 1.98 H new ATOM 0 HB3 PRO A 91 2.591 7.539 9.225 1.00 1.98 H new ATOM 0 HG2 PRO A 91 4.548 5.271 8.928 1.00 2.18 H new ATOM 0 HG3 PRO A 91 3.629 6.102 7.688 1.00 2.18 H new ATOM 0 HD2 PRO A 91 6.247 6.675 8.118 1.00 1.62 H new ATOM 0 HD3 PRO A 91 5.122 7.916 7.604 1.00 1.62 H new ATOM 35 N PRO A 92 4.697 7.381 12.954 1.00 0.59 N ATOM 36 CA PRO A 92 5.110 6.656 14.181 1.00 0.84 C ATOM 37 C PRO A 92 4.220 5.429 14.412 1.00 0.71 C ATOM 38 O PRO A 92 4.649 4.449 14.992 1.00 0.83 O ATOM 39 CB PRO A 92 4.982 7.707 15.287 1.00 1.49 C ATOM 40 CG PRO A 92 4.018 8.707 14.743 1.00 1.64 C ATOM 41 CD PRO A 92 4.281 8.759 13.261 1.00 1.21 C ATOM 0 HA PRO A 92 6.122 6.254 14.132 1.00 0.84 H new ATOM 0 HB2 PRO A 92 4.615 7.265 16.214 1.00 1.49 H new ATOM 0 HB3 PRO A 92 5.945 8.166 15.512 1.00 1.49 H new ATOM 0 HG2 PRO A 92 2.989 8.411 14.948 1.00 1.64 H new ATOM 0 HG3 PRO A 92 4.166 9.684 15.202 1.00 1.64 H new ATOM 0 HD2 PRO A 92 3.390 9.046 12.702 1.00 1.21 H new ATOM 0 HD3 PRO A 92 5.059 9.481 13.014 1.00 1.21 H new ATOM 49 N GLY A 93 2.995 5.456 13.936 1.00 0.65 N ATOM 50 CA GLY A 93 2.097 4.265 14.102 1.00 0.71 C ATOM 51 C GLY A 93 2.256 3.288 12.926 1.00 0.58 C ATOM 52 O GLY A 93 1.302 2.663 12.502 1.00 0.58 O ATOM 0 H GLY A 93 2.580 6.246 13.443 1.00 0.65 H new ATOM 0 HA2 GLY A 93 2.331 3.756 15.037 1.00 0.71 H new ATOM 0 HA3 GLY A 93 1.060 4.593 14.169 1.00 0.71 H new ATOM 56 N GLU A 94 3.444 3.155 12.395 1.00 0.56 N ATOM 57 CA GLU A 94 3.666 2.226 11.241 1.00 0.55 C ATOM 58 C GLU A 94 3.354 0.781 11.633 1.00 0.49 C ATOM 59 O GLU A 94 2.997 -0.023 10.795 1.00 0.53 O ATOM 60 CB GLU A 94 5.147 2.392 10.880 1.00 0.66 C ATOM 61 CG GLU A 94 5.500 1.487 9.695 1.00 1.09 C ATOM 62 CD GLU A 94 6.962 1.705 9.275 1.00 1.10 C ATOM 63 OE1 GLU A 94 7.575 2.646 9.759 1.00 1.44 O ATOM 64 OE2 GLU A 94 7.443 0.926 8.470 1.00 1.62 O ATOM 0 H GLU A 94 4.276 3.652 12.712 1.00 0.56 H new ATOM 0 HA GLU A 94 3.013 2.456 10.399 1.00 0.55 H new ATOM 0 HB2 GLU A 94 5.355 3.432 10.629 1.00 0.66 H new ATOM 0 HB3 GLU A 94 5.770 2.141 11.739 1.00 0.66 H new ATOM 0 HG2 GLU A 94 5.344 0.443 9.967 1.00 1.09 H new ATOM 0 HG3 GLU A 94 4.838 1.700 8.856 1.00 1.09 H new ATOM 71 N ALA A 95 3.489 0.438 12.889 1.00 0.49 N ATOM 72 CA ALA A 95 3.204 -0.972 13.309 1.00 0.50 C ATOM 73 C ALA A 95 1.775 -1.367 12.918 1.00 0.38 C ATOM 74 O ALA A 95 1.559 -2.393 12.298 1.00 0.36 O ATOM 75 CB ALA A 95 3.372 -0.986 14.830 1.00 0.61 C ATOM 0 H ALA A 95 3.782 1.066 13.638 1.00 0.49 H new ATOM 0 HA ALA A 95 3.872 -1.684 12.824 1.00 0.50 H new ATOM 0 HB1 ALA A 95 3.178 -1.990 15.208 1.00 0.61 H new ATOM 0 HB2 ALA A 95 4.390 -0.692 15.086 1.00 0.61 H new ATOM 0 HB3 ALA A 95 2.668 -0.286 15.280 1.00 0.61 H new ATOM 81 N TYR A 96 0.804 -0.555 13.253 1.00 0.38 N ATOM 82 CA TYR A 96 -0.607 -0.880 12.872 1.00 0.35 C ATOM 83 C TYR A 96 -0.721 -0.930 11.347 1.00 0.28 C ATOM 84 O TYR A 96 -1.269 -1.857 10.775 1.00 0.29 O ATOM 85 CB TYR A 96 -1.462 0.247 13.455 1.00 0.42 C ATOM 86 CG TYR A 96 -2.923 -0.047 13.211 1.00 0.73 C ATOM 87 CD1 TYR A 96 -3.523 -1.162 13.811 1.00 1.54 C ATOM 88 CD2 TYR A 96 -3.679 0.793 12.384 1.00 1.47 C ATOM 89 CE1 TYR A 96 -4.877 -1.435 13.585 1.00 1.93 C ATOM 90 CE2 TYR A 96 -5.033 0.519 12.158 1.00 1.85 C ATOM 91 CZ TYR A 96 -5.633 -0.595 12.759 1.00 1.77 C ATOM 92 OH TYR A 96 -6.968 -0.864 12.536 1.00 2.32 O ATOM 0 H TYR A 96 0.925 0.315 13.771 1.00 0.38 H new ATOM 0 HA TYR A 96 -0.932 -1.849 13.252 1.00 0.35 H new ATOM 0 HB2 TYR A 96 -1.274 0.344 14.524 1.00 0.42 H new ATOM 0 HB3 TYR A 96 -1.190 1.198 12.996 1.00 0.42 H new ATOM 0 HD1 TYR A 96 -2.940 -1.811 14.448 1.00 1.54 H new ATOM 0 HD2 TYR A 96 -3.217 1.652 11.921 1.00 1.47 H new ATOM 0 HE1 TYR A 96 -5.339 -2.294 14.048 1.00 1.93 H new ATOM 0 HE2 TYR A 96 -5.615 1.167 11.520 1.00 1.85 H new ATOM 0 HH TYR A 96 -7.517 -0.189 12.986 1.00 2.32 H new ATOM 102 N LEU A 97 -0.190 0.069 10.689 1.00 0.42 N ATOM 103 CA LEU A 97 -0.239 0.108 9.199 1.00 0.55 C ATOM 104 C LEU A 97 0.470 -1.108 8.613 1.00 0.43 C ATOM 105 O LEU A 97 0.020 -1.681 7.637 1.00 0.35 O ATOM 106 CB LEU A 97 0.479 1.408 8.793 1.00 0.90 C ATOM 107 CG LEU A 97 0.506 1.586 7.256 1.00 0.94 C ATOM 108 CD1 LEU A 97 1.616 0.729 6.649 1.00 1.33 C ATOM 109 CD2 LEU A 97 -0.848 1.212 6.628 1.00 1.75 C ATOM 0 H LEU A 97 0.278 0.864 11.124 1.00 0.42 H new ATOM 0 HA LEU A 97 -1.263 0.086 8.826 1.00 0.55 H new ATOM 0 HB2 LEU A 97 -0.024 2.260 9.250 1.00 0.90 H new ATOM 0 HB3 LEU A 97 1.499 1.396 9.177 1.00 0.90 H new ATOM 0 HG LEU A 97 0.702 2.637 7.041 1.00 0.94 H new ATOM 0 HD11 LEU A 97 1.627 0.861 5.567 1.00 1.33 H new ATOM 0 HD12 LEU A 97 2.578 1.034 7.062 1.00 1.33 H new ATOM 0 HD13 LEU A 97 1.436 -0.320 6.885 1.00 1.33 H new ATOM 0 HD21 LEU A 97 -0.798 1.347 5.548 1.00 1.75 H new ATOM 0 HD22 LEU A 97 -1.078 0.171 6.853 1.00 1.75 H new ATOM 0 HD23 LEU A 97 -1.629 1.853 7.038 1.00 1.75 H new ATOM 121 N GLN A 98 1.580 -1.503 9.187 1.00 0.47 N ATOM 122 CA GLN A 98 2.320 -2.683 8.636 1.00 0.49 C ATOM 123 C GLN A 98 1.416 -3.910 8.658 1.00 0.38 C ATOM 124 O GLN A 98 1.417 -4.700 7.731 1.00 0.39 O ATOM 125 CB GLN A 98 3.528 -2.882 9.551 1.00 0.63 C ATOM 126 CG GLN A 98 4.613 -1.873 9.176 1.00 0.57 C ATOM 127 CD GLN A 98 5.192 -2.238 7.809 1.00 1.24 C ATOM 128 OE1 GLN A 98 5.664 -3.340 7.609 1.00 2.00 O ATOM 129 NE2 GLN A 98 5.170 -1.354 6.849 1.00 2.04 N ATOM 0 H GLN A 98 2.003 -1.065 10.005 1.00 0.47 H new ATOM 0 HA GLN A 98 2.632 -2.528 7.603 1.00 0.49 H new ATOM 0 HB2 GLN A 98 3.236 -2.750 10.593 1.00 0.63 H new ATOM 0 HB3 GLN A 98 3.910 -3.898 9.453 1.00 0.63 H new ATOM 0 HG2 GLN A 98 4.196 -0.866 9.150 1.00 0.57 H new ATOM 0 HG3 GLN A 98 5.401 -1.872 9.929 1.00 0.57 H new ATOM 0 HE21 GLN A 98 4.774 -0.429 7.016 1.00 2.04 H new ATOM 0 HE22 GLN A 98 5.549 -1.588 5.931 1.00 2.04 H new ATOM 138 N VAL A 99 0.618 -4.064 9.687 1.00 0.33 N ATOM 139 CA VAL A 99 -0.313 -5.232 9.729 1.00 0.31 C ATOM 140 C VAL A 99 -1.271 -5.137 8.533 1.00 0.24 C ATOM 141 O VAL A 99 -1.542 -6.118 7.866 1.00 0.30 O ATOM 142 CB VAL A 99 -1.058 -5.106 11.065 1.00 0.32 C ATOM 143 CG1 VAL A 99 -2.165 -6.161 11.158 1.00 0.43 C ATOM 144 CG2 VAL A 99 -0.068 -5.305 12.216 1.00 0.43 C ATOM 0 H VAL A 99 0.572 -3.438 10.491 1.00 0.33 H new ATOM 0 HA VAL A 99 0.193 -6.195 9.663 1.00 0.31 H new ATOM 0 HB VAL A 99 -1.508 -4.115 11.129 1.00 0.32 H new ATOM 0 HG11 VAL A 99 -2.685 -6.060 12.111 1.00 0.43 H new ATOM 0 HG12 VAL A 99 -2.873 -6.019 10.341 1.00 0.43 H new ATOM 0 HG13 VAL A 99 -1.726 -7.156 11.088 1.00 0.43 H new ATOM 0 HG21 VAL A 99 -0.593 -5.216 13.167 1.00 0.43 H new ATOM 0 HG22 VAL A 99 0.383 -6.295 12.141 1.00 0.43 H new ATOM 0 HG23 VAL A 99 0.712 -4.546 12.160 1.00 0.43 H new ATOM 154 N ALA A 100 -1.756 -3.953 8.244 1.00 0.18 N ATOM 155 CA ALA A 100 -2.666 -3.786 7.070 1.00 0.18 C ATOM 156 C ALA A 100 -1.862 -3.968 5.783 1.00 0.14 C ATOM 157 O ALA A 100 -2.164 -4.824 4.981 1.00 0.14 O ATOM 158 CB ALA A 100 -3.218 -2.364 7.173 1.00 0.24 C ATOM 0 H ALA A 100 -1.562 -3.100 8.768 1.00 0.18 H new ATOM 0 HA ALA A 100 -3.475 -4.517 7.059 1.00 0.18 H new ATOM 0 HB1 ALA A 100 -3.895 -2.175 6.340 1.00 0.24 H new ATOM 0 HB2 ALA A 100 -3.759 -2.251 8.113 1.00 0.24 H new ATOM 0 HB3 ALA A 100 -2.394 -1.651 7.140 1.00 0.24 H new ATOM 164 N PHE A 101 -0.820 -3.186 5.592 1.00 0.15 N ATOM 165 CA PHE A 101 0.027 -3.336 4.357 1.00 0.16 C ATOM 166 C PHE A 101 0.478 -4.787 4.165 1.00 0.17 C ATOM 167 O PHE A 101 0.857 -5.166 3.085 1.00 0.20 O ATOM 168 CB PHE A 101 1.265 -2.463 4.612 1.00 0.19 C ATOM 169 CG PHE A 101 1.091 -1.040 4.102 1.00 0.25 C ATOM 170 CD1 PHE A 101 -0.174 -0.430 4.024 1.00 1.21 C ATOM 171 CD2 PHE A 101 2.232 -0.314 3.733 1.00 1.10 C ATOM 172 CE1 PHE A 101 -0.286 0.891 3.576 1.00 1.26 C ATOM 173 CE2 PHE A 101 2.116 1.006 3.292 1.00 1.10 C ATOM 174 CZ PHE A 101 0.859 1.608 3.214 1.00 0.43 C ATOM 0 H PHE A 101 -0.520 -2.453 6.235 1.00 0.15 H new ATOM 0 HA PHE A 101 -0.529 -3.047 3.466 1.00 0.16 H new ATOM 0 HB2 PHE A 101 1.474 -2.439 5.681 1.00 0.19 H new ATOM 0 HB3 PHE A 101 2.130 -2.916 4.128 1.00 0.19 H new ATOM 0 HD1 PHE A 101 -1.058 -0.981 4.310 1.00 1.21 H new ATOM 0 HD2 PHE A 101 3.206 -0.778 3.790 1.00 1.10 H new ATOM 0 HE1 PHE A 101 -1.258 1.357 3.510 1.00 1.26 H new ATOM 0 HE2 PHE A 101 2.999 1.561 3.011 1.00 1.10 H new ATOM 0 HZ PHE A 101 0.770 2.629 2.874 1.00 0.43 H new ATOM 184 N ASP A 102 0.465 -5.594 5.193 1.00 0.18 N ATOM 185 CA ASP A 102 0.926 -7.003 5.025 1.00 0.21 C ATOM 186 C ASP A 102 -0.189 -7.890 4.488 1.00 0.20 C ATOM 187 O ASP A 102 -0.010 -8.591 3.508 1.00 0.22 O ATOM 188 CB ASP A 102 1.323 -7.451 6.419 1.00 0.25 C ATOM 189 CG ASP A 102 2.053 -8.793 6.341 1.00 0.32 C ATOM 190 OD1 ASP A 102 1.423 -9.766 5.958 1.00 1.01 O ATOM 191 OD2 ASP A 102 3.229 -8.826 6.665 1.00 1.13 O ATOM 0 H ASP A 102 0.158 -5.342 6.133 1.00 0.18 H new ATOM 0 HA ASP A 102 1.746 -7.073 4.311 1.00 0.21 H new ATOM 0 HB2 ASP A 102 1.966 -6.703 6.883 1.00 0.25 H new ATOM 0 HB3 ASP A 102 0.437 -7.544 7.048 1.00 0.25 H new ATOM 196 N ILE A 103 -1.337 -7.879 5.123 1.00 0.18 N ATOM 197 CA ILE A 103 -2.449 -8.742 4.638 1.00 0.18 C ATOM 198 C ILE A 103 -2.878 -8.283 3.251 1.00 0.17 C ATOM 199 O ILE A 103 -3.120 -9.078 2.361 1.00 0.18 O ATOM 200 CB ILE A 103 -3.594 -8.584 5.664 1.00 0.18 C ATOM 201 CG1 ILE A 103 -4.128 -7.137 5.693 1.00 0.94 C ATOM 202 CG2 ILE A 103 -3.087 -8.977 7.056 1.00 0.94 C ATOM 203 CD1 ILE A 103 -5.240 -7.002 6.742 1.00 0.87 C ATOM 0 H ILE A 103 -1.546 -7.315 5.947 1.00 0.18 H new ATOM 0 HA ILE A 103 -2.156 -9.788 4.554 1.00 0.18 H new ATOM 0 HB ILE A 103 -4.413 -9.238 5.367 1.00 0.18 H new ATOM 0 HG12 ILE A 103 -3.316 -6.447 5.922 1.00 0.94 H new ATOM 0 HG13 ILE A 103 -4.511 -6.863 4.710 1.00 0.94 H new ATOM 0 HG21 ILE A 103 -3.893 -8.866 7.781 1.00 0.94 H new ATOM 0 HG22 ILE A 103 -2.752 -10.014 7.042 1.00 0.94 H new ATOM 0 HG23 ILE A 103 -2.255 -8.331 7.336 1.00 0.94 H new ATOM 0 HD11 ILE A 103 -5.608 -5.976 6.752 1.00 0.87 H new ATOM 0 HD12 ILE A 103 -6.058 -7.678 6.494 1.00 0.87 H new ATOM 0 HD13 ILE A 103 -4.845 -7.255 7.726 1.00 0.87 H new ATOM 215 N VAL A 104 -2.971 -6.999 3.072 1.00 0.16 N ATOM 216 CA VAL A 104 -3.402 -6.456 1.757 1.00 0.16 C ATOM 217 C VAL A 104 -2.337 -6.684 0.674 1.00 0.17 C ATOM 218 O VAL A 104 -2.658 -6.993 -0.458 1.00 0.18 O ATOM 219 CB VAL A 104 -3.666 -4.962 1.992 1.00 0.16 C ATOM 220 CG1 VAL A 104 -4.665 -4.771 3.138 1.00 0.18 C ATOM 221 CG2 VAL A 104 -2.369 -4.224 2.315 1.00 0.14 C ATOM 0 H VAL A 104 -2.766 -6.297 3.783 1.00 0.16 H new ATOM 0 HA VAL A 104 -4.295 -6.962 1.391 1.00 0.16 H new ATOM 0 HB VAL A 104 -4.086 -4.547 1.076 1.00 0.16 H new ATOM 0 HG11 VAL A 104 -4.842 -3.707 3.293 1.00 0.18 H new ATOM 0 HG12 VAL A 104 -5.605 -5.263 2.887 1.00 0.18 H new ATOM 0 HG13 VAL A 104 -4.260 -5.208 4.051 1.00 0.18 H new ATOM 0 HG21 VAL A 104 -2.582 -3.167 2.477 1.00 0.14 H new ATOM 0 HG22 VAL A 104 -1.924 -4.647 3.216 1.00 0.14 H new ATOM 0 HG23 VAL A 104 -1.673 -4.330 1.483 1.00 0.14 H new ATOM 231 N CYS A 105 -1.078 -6.525 1.007 1.00 0.18 N ATOM 232 CA CYS A 105 0.000 -6.723 -0.019 1.00 0.19 C ATOM 233 C CYS A 105 -0.036 -8.145 -0.550 1.00 0.20 C ATOM 234 O CYS A 105 -0.023 -8.374 -1.742 1.00 0.21 O ATOM 235 CB CYS A 105 1.314 -6.443 0.711 1.00 0.22 C ATOM 236 SG CYS A 105 2.717 -6.646 -0.417 1.00 0.29 S ATOM 0 H CYS A 105 -0.750 -6.268 1.938 1.00 0.18 H new ATOM 0 HA CYS A 105 -0.125 -6.064 -0.879 1.00 0.19 H new ATOM 0 HB2 CYS A 105 1.306 -5.430 1.113 1.00 0.22 H new ATOM 0 HB3 CYS A 105 1.419 -7.121 1.558 1.00 0.22 H new ATOM 0 HG CYS A 105 2.340 -6.377 -1.632 1.00 0.29 H new ATOM 242 N ASP A 106 -0.086 -9.097 0.326 1.00 0.21 N ATOM 243 CA ASP A 106 -0.134 -10.510 -0.133 1.00 0.24 C ATOM 244 C ASP A 106 -1.499 -10.799 -0.785 1.00 0.25 C ATOM 245 O ASP A 106 -1.684 -11.825 -1.414 1.00 0.28 O ATOM 246 CB ASP A 106 0.070 -11.352 1.119 1.00 0.25 C ATOM 247 CG ASP A 106 1.430 -11.028 1.742 1.00 0.27 C ATOM 248 OD1 ASP A 106 2.403 -10.992 1.007 1.00 1.05 O ATOM 249 OD2 ASP A 106 1.475 -10.820 2.944 1.00 1.05 O ATOM 0 H ASP A 106 -0.096 -8.964 1.337 1.00 0.21 H new ATOM 0 HA ASP A 106 0.627 -10.732 -0.881 1.00 0.24 H new ATOM 0 HB2 ASP A 106 -0.726 -11.153 1.836 1.00 0.25 H new ATOM 0 HB3 ASP A 106 0.017 -12.412 0.869 1.00 0.25 H new ATOM 254 N ASN A 107 -2.456 -9.900 -0.647 1.00 0.24 N ATOM 255 CA ASN A 107 -3.799 -10.123 -1.265 1.00 0.26 C ATOM 256 C ASN A 107 -3.829 -9.552 -2.686 1.00 0.26 C ATOM 257 O ASN A 107 -4.424 -10.121 -3.582 1.00 0.29 O ATOM 258 CB ASN A 107 -4.765 -9.325 -0.389 1.00 0.25 C ATOM 259 CG ASN A 107 -6.135 -10.004 -0.379 1.00 0.29 C ATOM 260 OD1 ASN A 107 -7.064 -9.535 -1.007 1.00 1.02 O ATOM 261 ND2 ASN A 107 -6.303 -11.096 0.316 1.00 1.23 N ATOM 0 H ASN A 107 -2.358 -9.025 -0.132 1.00 0.24 H new ATOM 0 HA ASN A 107 -4.049 -11.182 -1.324 1.00 0.26 H new ATOM 0 HB2 ASN A 107 -4.376 -9.255 0.627 1.00 0.25 H new ATOM 0 HB3 ASN A 107 -4.856 -8.307 -0.766 1.00 0.25 H new ATOM 0 HD21 ASN A 107 -7.214 -11.555 0.332 1.00 1.23 H new ATOM 0 HD22 ASN A 107 -5.524 -11.490 0.843 1.00 1.23 H new ATOM 268 N VAL A 108 -3.207 -8.419 -2.886 1.00 0.23 N ATOM 269 CA VAL A 108 -3.208 -7.781 -4.235 1.00 0.24 C ATOM 270 C VAL A 108 -2.070 -6.756 -4.326 1.00 0.25 C ATOM 271 O VAL A 108 -2.216 -5.695 -4.897 1.00 0.42 O ATOM 272 CB VAL A 108 -4.589 -7.124 -4.310 1.00 0.23 C ATOM 273 CG1 VAL A 108 -4.677 -5.922 -3.364 1.00 0.27 C ATOM 274 CG2 VAL A 108 -4.877 -6.682 -5.746 1.00 0.27 C ATOM 0 H VAL A 108 -2.696 -7.906 -2.168 1.00 0.23 H new ATOM 0 HA VAL A 108 -3.043 -8.475 -5.059 1.00 0.24 H new ATOM 0 HB VAL A 108 -5.335 -7.856 -4.001 1.00 0.23 H new ATOM 0 HG11 VAL A 108 -5.668 -5.474 -3.437 1.00 0.27 H new ATOM 0 HG12 VAL A 108 -4.502 -6.251 -2.340 1.00 0.27 H new ATOM 0 HG13 VAL A 108 -3.924 -5.185 -3.642 1.00 0.27 H new ATOM 0 HG21 VAL A 108 -5.861 -6.215 -5.793 1.00 0.27 H new ATOM 0 HG22 VAL A 108 -4.120 -5.965 -6.065 1.00 0.27 H new ATOM 0 HG23 VAL A 108 -4.855 -7.550 -6.405 1.00 0.27 H new ATOM 284 N GLY A 109 -0.970 -7.075 -3.699 1.00 0.24 N ATOM 285 CA GLY A 109 0.227 -6.176 -3.621 1.00 0.22 C ATOM 286 C GLY A 109 0.408 -5.268 -4.861 1.00 0.23 C ATOM 287 O GLY A 109 0.778 -4.116 -4.736 1.00 0.21 O ATOM 0 H GLY A 109 -0.844 -7.964 -3.214 1.00 0.24 H new ATOM 0 HA2 GLY A 109 0.142 -5.550 -2.733 1.00 0.22 H new ATOM 0 HA3 GLY A 109 1.121 -6.787 -3.496 1.00 0.22 H new ATOM 291 N ARG A 110 0.176 -5.779 -6.046 1.00 0.27 N ATOM 292 CA ARG A 110 0.368 -4.947 -7.284 1.00 0.28 C ATOM 293 C ARG A 110 -0.569 -3.729 -7.300 1.00 0.27 C ATOM 294 O ARG A 110 -0.321 -2.751 -7.995 1.00 0.27 O ATOM 295 CB ARG A 110 0.055 -5.874 -8.465 1.00 0.36 C ATOM 296 CG ARG A 110 1.008 -7.079 -8.472 1.00 0.55 C ATOM 297 CD ARG A 110 2.455 -6.612 -8.674 1.00 0.72 C ATOM 298 NE ARG A 110 2.457 -5.914 -9.991 1.00 1.08 N ATOM 299 CZ ARG A 110 2.836 -6.546 -11.069 1.00 1.39 C ATOM 300 NH1 ARG A 110 4.104 -6.629 -11.365 1.00 2.06 N ATOM 301 NH2 ARG A 110 1.947 -7.093 -11.852 1.00 1.68 N ATOM 0 H ARG A 110 -0.138 -6.735 -6.213 1.00 0.27 H new ATOM 0 HA ARG A 110 1.383 -4.553 -7.330 1.00 0.28 H new ATOM 0 HB2 ARG A 110 -0.977 -6.220 -8.400 1.00 0.36 H new ATOM 0 HB3 ARG A 110 0.148 -5.324 -9.401 1.00 0.36 H new ATOM 0 HG2 ARG A 110 0.923 -7.624 -7.532 1.00 0.55 H new ATOM 0 HG3 ARG A 110 0.727 -7.769 -9.268 1.00 0.55 H new ATOM 0 HD2 ARG A 110 2.769 -5.943 -7.873 1.00 0.72 H new ATOM 0 HD3 ARG A 110 3.145 -7.456 -8.674 1.00 0.72 H new ATOM 0 HE ARG A 110 2.161 -4.940 -10.050 1.00 1.08 H new ATOM 0 HH11 ARG A 110 4.799 -6.200 -10.754 1.00 2.06 H new ATOM 0 HH12 ARG A 110 4.400 -7.123 -12.207 1.00 2.06 H new ATOM 0 HH21 ARG A 110 0.955 -7.027 -11.622 1.00 1.68 H new ATOM 0 HH22 ARG A 110 2.244 -7.587 -12.694 1.00 1.68 H new ATOM 315 N ASP A 111 -1.640 -3.778 -6.554 1.00 0.27 N ATOM 316 CA ASP A 111 -2.597 -2.629 -6.539 1.00 0.30 C ATOM 317 C ASP A 111 -1.984 -1.422 -5.811 1.00 0.31 C ATOM 318 O ASP A 111 -2.497 -0.317 -5.885 1.00 0.39 O ATOM 319 CB ASP A 111 -3.823 -3.154 -5.790 1.00 0.30 C ATOM 320 CG ASP A 111 -4.767 -3.845 -6.776 1.00 0.30 C ATOM 321 OD1 ASP A 111 -4.273 -4.483 -7.691 1.00 0.93 O ATOM 322 OD2 ASP A 111 -5.968 -3.728 -6.598 1.00 0.82 O ATOM 0 H ASP A 111 -1.895 -4.562 -5.954 1.00 0.27 H new ATOM 0 HA ASP A 111 -2.847 -2.285 -7.543 1.00 0.30 H new ATOM 0 HB2 ASP A 111 -3.515 -3.854 -5.013 1.00 0.30 H new ATOM 0 HB3 ASP A 111 -4.338 -2.332 -5.293 1.00 0.30 H new ATOM 327 N TRP A 112 -0.886 -1.614 -5.123 1.00 0.27 N ATOM 328 CA TRP A 112 -0.240 -0.466 -4.416 1.00 0.29 C ATOM 329 C TRP A 112 0.735 0.210 -5.368 1.00 0.32 C ATOM 330 O TRP A 112 0.956 1.402 -5.290 1.00 0.31 O ATOM 331 CB TRP A 112 0.487 -1.049 -3.200 1.00 0.29 C ATOM 332 CG TRP A 112 -0.450 -1.942 -2.470 1.00 0.25 C ATOM 333 CD1 TRP A 112 -0.199 -3.222 -2.149 1.00 0.23 C ATOM 334 CD2 TRP A 112 -1.800 -1.656 -2.016 1.00 0.25 C ATOM 335 NE1 TRP A 112 -1.312 -3.747 -1.523 1.00 0.20 N ATOM 336 CE2 TRP A 112 -2.321 -2.817 -1.417 1.00 0.20 C ATOM 337 CE3 TRP A 112 -2.616 -0.510 -2.062 1.00 0.31 C ATOM 338 CZ2 TRP A 112 -3.599 -2.853 -0.889 1.00 0.20 C ATOM 339 CZ3 TRP A 112 -3.914 -0.543 -1.523 1.00 0.32 C ATOM 340 CH2 TRP A 112 -4.403 -1.720 -0.938 1.00 0.27 C ATOM 0 H TRP A 112 -0.411 -2.511 -5.021 1.00 0.27 H new ATOM 0 HA TRP A 112 -0.965 0.281 -4.092 1.00 0.29 H new ATOM 0 HB2 TRP A 112 1.369 -1.605 -3.517 1.00 0.29 H new ATOM 0 HB3 TRP A 112 0.833 -0.248 -2.546 1.00 0.29 H new ATOM 0 HD1 TRP A 112 0.721 -3.752 -2.348 1.00 0.23 H new ATOM 0 HE1 TRP A 112 -1.378 -4.706 -1.181 1.00 0.20 H new ATOM 0 HE3 TRP A 112 -2.244 0.398 -2.513 1.00 0.31 H new ATOM 0 HZ2 TRP A 112 -3.972 -3.761 -0.439 1.00 0.20 H new ATOM 0 HZ3 TRP A 112 -4.536 0.339 -1.560 1.00 0.32 H new ATOM 0 HH2 TRP A 112 -5.401 -1.746 -0.527 1.00 0.27 H new ATOM 351 N LYS A 113 1.309 -0.540 -6.281 1.00 0.37 N ATOM 352 CA LYS A 113 2.251 0.079 -7.252 1.00 0.40 C ATOM 353 C LYS A 113 1.446 1.002 -8.167 1.00 0.34 C ATOM 354 O LYS A 113 1.849 2.120 -8.439 1.00 0.30 O ATOM 355 CB LYS A 113 2.874 -1.076 -8.034 1.00 0.50 C ATOM 356 CG LYS A 113 4.281 -0.671 -8.477 1.00 0.72 C ATOM 357 CD LYS A 113 4.944 -1.837 -9.210 1.00 0.89 C ATOM 358 CE LYS A 113 4.218 -2.084 -10.533 1.00 1.51 C ATOM 359 NZ LYS A 113 5.020 -3.132 -11.223 1.00 1.66 N ATOM 0 H LYS A 113 1.164 -1.544 -6.390 1.00 0.37 H new ATOM 0 HA LYS A 113 3.033 0.670 -6.776 1.00 0.40 H new ATOM 0 HB2 LYS A 113 2.917 -1.971 -7.414 1.00 0.50 H new ATOM 0 HB3 LYS A 113 2.260 -1.318 -8.902 1.00 0.50 H new ATOM 0 HG2 LYS A 113 4.231 0.201 -9.130 1.00 0.72 H new ATOM 0 HG3 LYS A 113 4.878 -0.386 -7.611 1.00 0.72 H new ATOM 0 HD2 LYS A 113 5.995 -1.614 -9.395 1.00 0.89 H new ATOM 0 HD3 LYS A 113 4.913 -2.734 -8.592 1.00 0.89 H new ATOM 0 HE2 LYS A 113 3.194 -2.418 -10.365 1.00 1.51 H new ATOM 0 HE3 LYS A 113 4.163 -1.173 -11.129 1.00 1.51 H new ATOM 0 HZ1 LYS A 113 4.584 -3.355 -12.140 1.00 1.66 H new ATOM 0 HZ2 LYS A 113 5.988 -2.784 -11.376 1.00 1.66 H new ATOM 0 HZ3 LYS A 113 5.049 -3.990 -10.636 1.00 1.66 H new ATOM 373 N ARG A 114 0.282 0.562 -8.610 1.00 0.35 N ATOM 374 CA ARG A 114 -0.562 1.461 -9.467 1.00 0.33 C ATOM 375 C ARG A 114 -0.988 2.668 -8.620 1.00 0.28 C ATOM 376 O ARG A 114 -0.987 3.801 -9.081 1.00 0.29 O ATOM 377 CB ARG A 114 -1.779 0.647 -9.967 1.00 0.37 C ATOM 378 CG ARG A 114 -2.445 -0.138 -8.827 1.00 0.38 C ATOM 379 CD ARG A 114 -3.910 0.297 -8.657 1.00 0.43 C ATOM 380 NE ARG A 114 -4.623 -0.300 -9.822 1.00 0.57 N ATOM 381 CZ ARG A 114 -4.767 0.387 -10.923 1.00 1.04 C ATOM 382 NH1 ARG A 114 -5.479 1.480 -10.922 1.00 1.77 N ATOM 383 NH2 ARG A 114 -4.200 -0.021 -12.026 1.00 1.62 N ATOM 0 H ARG A 114 -0.110 -0.360 -8.419 1.00 0.35 H new ATOM 0 HA ARG A 114 -0.016 1.829 -10.336 1.00 0.33 H new ATOM 0 HB2 ARG A 114 -2.507 1.321 -10.418 1.00 0.37 H new ATOM 0 HB3 ARG A 114 -1.459 -0.044 -10.746 1.00 0.37 H new ATOM 0 HG2 ARG A 114 -2.399 -1.206 -9.038 1.00 0.38 H new ATOM 0 HG3 ARG A 114 -1.900 0.027 -7.897 1.00 0.38 H new ATOM 0 HD2 ARG A 114 -4.322 -0.063 -7.714 1.00 0.43 H new ATOM 0 HD3 ARG A 114 -4.002 1.383 -8.651 1.00 0.43 H new ATOM 0 HE ARG A 114 -4.999 -1.246 -9.759 1.00 0.57 H new ATOM 0 HH11 ARG A 114 -5.923 1.798 -10.061 1.00 1.77 H new ATOM 0 HH12 ARG A 114 -5.591 2.016 -11.782 1.00 1.77 H new ATOM 0 HH21 ARG A 114 -3.645 -0.876 -12.028 1.00 1.62 H new ATOM 0 HH22 ARG A 114 -4.313 0.516 -12.886 1.00 1.62 H new ATOM 397 N LEU A 115 -1.292 2.441 -7.361 1.00 0.26 N ATOM 398 CA LEU A 115 -1.652 3.576 -6.468 1.00 0.25 C ATOM 399 C LEU A 115 -0.383 4.383 -6.154 1.00 0.25 C ATOM 400 O LEU A 115 -0.446 5.556 -5.848 1.00 0.26 O ATOM 401 CB LEU A 115 -2.246 2.941 -5.207 1.00 0.26 C ATOM 402 CG LEU A 115 -3.617 2.345 -5.542 1.00 0.25 C ATOM 403 CD1 LEU A 115 -4.138 1.548 -4.343 1.00 0.32 C ATOM 404 CD2 LEU A 115 -4.602 3.478 -5.877 1.00 0.23 C ATOM 0 H LEU A 115 -1.304 1.521 -6.921 1.00 0.26 H new ATOM 0 HA LEU A 115 -2.369 4.263 -6.919 1.00 0.25 H new ATOM 0 HB2 LEU A 115 -1.581 2.165 -4.828 1.00 0.26 H new ATOM 0 HB3 LEU A 115 -2.344 3.689 -4.420 1.00 0.26 H new ATOM 0 HG LEU A 115 -3.523 1.682 -6.402 1.00 0.25 H new ATOM 0 HD11 LEU A 115 -5.113 1.125 -4.583 1.00 0.32 H new ATOM 0 HD12 LEU A 115 -3.441 0.743 -4.110 1.00 0.32 H new ATOM 0 HD13 LEU A 115 -4.231 2.208 -3.480 1.00 0.32 H new ATOM 0 HD21 LEU A 115 -5.577 3.054 -6.115 1.00 0.23 H new ATOM 0 HD22 LEU A 115 -4.696 4.144 -5.019 1.00 0.23 H new ATOM 0 HD23 LEU A 115 -4.232 4.040 -6.734 1.00 0.23 H new ATOM 416 N ALA A 116 0.777 3.763 -6.253 1.00 0.26 N ATOM 417 CA ALA A 116 2.054 4.500 -5.988 1.00 0.28 C ATOM 418 C ALA A 116 2.164 5.665 -6.975 1.00 0.26 C ATOM 419 O ALA A 116 2.399 6.806 -6.599 1.00 0.27 O ATOM 420 CB ALA A 116 3.170 3.483 -6.234 1.00 0.31 C ATOM 0 H ALA A 116 0.890 2.781 -6.505 1.00 0.26 H new ATOM 0 HA ALA A 116 2.107 4.907 -4.978 1.00 0.28 H new ATOM 0 HB1 ALA A 116 4.137 3.954 -6.058 1.00 0.31 H new ATOM 0 HB2 ALA A 116 3.049 2.639 -5.555 1.00 0.31 H new ATOM 0 HB3 ALA A 116 3.120 3.130 -7.264 1.00 0.31 H new ATOM 426 N ARG A 117 1.944 5.390 -8.240 1.00 0.27 N ATOM 427 CA ARG A 117 1.984 6.479 -9.262 1.00 0.30 C ATOM 428 C ARG A 117 0.918 7.515 -8.897 1.00 0.32 C ATOM 429 O ARG A 117 1.140 8.708 -8.977 1.00 0.33 O ATOM 430 CB ARG A 117 1.659 5.803 -10.596 1.00 0.35 C ATOM 431 CG ARG A 117 2.834 4.916 -11.019 1.00 0.37 C ATOM 432 CD ARG A 117 2.505 4.230 -12.349 1.00 1.31 C ATOM 433 NE ARG A 117 1.308 3.389 -12.062 1.00 1.53 N ATOM 434 CZ ARG A 117 0.692 2.770 -13.032 1.00 1.93 C ATOM 435 NH1 ARG A 117 1.354 1.965 -13.818 1.00 2.24 N ATOM 436 NH2 ARG A 117 -0.587 2.953 -13.211 1.00 2.61 N ATOM 0 H ARG A 117 1.739 4.460 -8.606 1.00 0.27 H new ATOM 0 HA ARG A 117 2.947 6.987 -9.314 1.00 0.30 H new ATOM 0 HB2 ARG A 117 0.753 5.204 -10.501 1.00 0.35 H new ATOM 0 HB3 ARG A 117 1.465 6.556 -11.360 1.00 0.35 H new ATOM 0 HG2 ARG A 117 3.738 5.516 -11.121 1.00 0.37 H new ATOM 0 HG3 ARG A 117 3.033 4.168 -10.252 1.00 0.37 H new ATOM 0 HD2 ARG A 117 2.296 4.962 -13.130 1.00 1.31 H new ATOM 0 HD3 ARG A 117 3.340 3.622 -12.697 1.00 1.31 H new ATOM 0 HE ARG A 117 0.969 3.297 -11.104 1.00 1.53 H new ATOM 0 HH11 ARG A 117 2.353 1.819 -13.674 1.00 2.24 H new ATOM 0 HH12 ARG A 117 0.872 1.482 -14.576 1.00 2.24 H new ATOM 0 HH21 ARG A 117 -1.104 3.579 -12.593 1.00 2.61 H new ATOM 0 HH22 ARG A 117 -1.070 2.470 -13.969 1.00 2.61 H new ATOM 450 N GLU A 118 -0.228 7.051 -8.457 1.00 0.34 N ATOM 451 CA GLU A 118 -1.307 7.995 -8.035 1.00 0.39 C ATOM 452 C GLU A 118 -0.813 8.800 -6.823 1.00 0.39 C ATOM 453 O GLU A 118 -1.098 9.973 -6.682 1.00 0.41 O ATOM 454 CB GLU A 118 -2.501 7.113 -7.657 1.00 0.43 C ATOM 455 CG GLU A 118 -3.026 6.398 -8.906 1.00 0.47 C ATOM 456 CD GLU A 118 -3.676 7.410 -9.856 1.00 0.53 C ATOM 457 OE1 GLU A 118 -4.148 8.430 -9.378 1.00 1.45 O ATOM 458 OE2 GLU A 118 -3.692 7.145 -11.046 1.00 0.76 O ATOM 0 H GLU A 118 -0.461 6.061 -8.373 1.00 0.34 H new ATOM 0 HA GLU A 118 -1.581 8.704 -8.816 1.00 0.39 H new ATOM 0 HB2 GLU A 118 -2.203 6.382 -6.905 1.00 0.43 H new ATOM 0 HB3 GLU A 118 -3.290 7.721 -7.215 1.00 0.43 H new ATOM 0 HG2 GLU A 118 -2.208 5.885 -9.412 1.00 0.47 H new ATOM 0 HG3 GLU A 118 -3.752 5.636 -8.621 1.00 0.47 H new ATOM 465 N LEU A 119 -0.054 8.167 -5.956 1.00 0.37 N ATOM 466 CA LEU A 119 0.495 8.875 -4.751 1.00 0.38 C ATOM 467 C LEU A 119 1.655 9.804 -5.145 1.00 0.36 C ATOM 468 O LEU A 119 2.187 10.514 -4.318 1.00 0.39 O ATOM 469 CB LEU A 119 0.997 7.765 -3.832 1.00 0.38 C ATOM 470 CG LEU A 119 -0.197 6.986 -3.276 1.00 0.56 C ATOM 471 CD1 LEU A 119 0.282 5.649 -2.710 1.00 1.33 C ATOM 472 CD2 LEU A 119 -0.858 7.801 -2.162 1.00 0.58 C ATOM 0 H LEU A 119 0.210 7.185 -6.032 1.00 0.37 H new ATOM 0 HA LEU A 119 -0.259 9.499 -4.272 1.00 0.38 H new ATOM 0 HB2 LEU A 119 1.659 7.095 -4.381 1.00 0.38 H new ATOM 0 HB3 LEU A 119 1.580 8.190 -3.015 1.00 0.38 H new ATOM 0 HG LEU A 119 -0.916 6.804 -4.075 1.00 0.56 H new ATOM 0 HD11 LEU A 119 -0.570 5.095 -2.314 1.00 1.33 H new ATOM 0 HD12 LEU A 119 0.757 5.068 -3.501 1.00 1.33 H new ATOM 0 HD13 LEU A 119 1.001 5.829 -1.911 1.00 1.33 H new ATOM 0 HD21 LEU A 119 -1.709 7.249 -1.763 1.00 0.58 H new ATOM 0 HD22 LEU A 119 -0.136 7.980 -1.365 1.00 0.58 H new ATOM 0 HD23 LEU A 119 -1.200 8.755 -2.563 1.00 0.58 H new ATOM 484 N LYS A 120 2.054 9.800 -6.403 1.00 0.34 N ATOM 485 CA LYS A 120 3.182 10.677 -6.872 1.00 0.35 C ATOM 486 C LYS A 120 4.495 10.249 -6.220 1.00 0.30 C ATOM 487 O LYS A 120 5.252 11.061 -5.723 1.00 0.33 O ATOM 488 CB LYS A 120 2.816 12.122 -6.483 1.00 0.48 C ATOM 489 CG LYS A 120 3.746 13.105 -7.199 1.00 1.05 C ATOM 490 CD LYS A 120 3.449 13.092 -8.700 1.00 1.11 C ATOM 491 CE LYS A 120 4.033 14.351 -9.347 1.00 2.02 C ATOM 492 NZ LYS A 120 3.025 15.418 -9.088 1.00 2.16 N ATOM 0 H LYS A 120 1.640 9.219 -7.131 1.00 0.34 H new ATOM 0 HA LYS A 120 3.321 10.596 -7.950 1.00 0.35 H new ATOM 0 HB2 LYS A 120 1.779 12.328 -6.750 1.00 0.48 H new ATOM 0 HB3 LYS A 120 2.899 12.250 -5.404 1.00 0.48 H new ATOM 0 HG2 LYS A 120 3.607 14.110 -6.799 1.00 1.05 H new ATOM 0 HG3 LYS A 120 4.786 12.832 -7.021 1.00 1.05 H new ATOM 0 HD2 LYS A 120 3.879 12.202 -9.159 1.00 1.11 H new ATOM 0 HD3 LYS A 120 2.373 13.049 -8.868 1.00 1.11 H new ATOM 0 HE2 LYS A 120 4.999 14.607 -8.912 1.00 2.02 H new ATOM 0 HE3 LYS A 120 4.192 14.209 -10.416 1.00 2.02 H new ATOM 0 HZ1 LYS A 120 2.511 15.631 -9.967 1.00 2.16 H new ATOM 0 HZ2 LYS A 120 2.353 15.092 -8.364 1.00 2.16 H new ATOM 0 HZ3 LYS A 120 3.507 16.276 -8.752 1.00 2.16 H new ATOM 506 N VAL A 121 4.770 8.972 -6.239 1.00 0.29 N ATOM 507 CA VAL A 121 6.042 8.461 -5.644 1.00 0.33 C ATOM 508 C VAL A 121 7.211 8.777 -6.585 1.00 0.37 C ATOM 509 O VAL A 121 7.034 8.895 -7.784 1.00 0.42 O ATOM 510 CB VAL A 121 5.849 6.946 -5.500 1.00 0.36 C ATOM 511 CG1 VAL A 121 4.669 6.670 -4.565 1.00 1.65 C ATOM 512 CG2 VAL A 121 5.575 6.313 -6.875 1.00 1.29 C ATOM 0 H VAL A 121 4.166 8.256 -6.643 1.00 0.29 H new ATOM 0 HA VAL A 121 6.267 8.922 -4.682 1.00 0.33 H new ATOM 0 HB VAL A 121 6.757 6.509 -5.084 1.00 0.36 H new ATOM 0 HG11 VAL A 121 4.531 5.594 -4.462 1.00 1.65 H new ATOM 0 HG12 VAL A 121 4.871 7.106 -3.586 1.00 1.65 H new ATOM 0 HG13 VAL A 121 3.764 7.114 -4.980 1.00 1.65 H new ATOM 0 HG21 VAL A 121 5.440 5.238 -6.760 1.00 1.29 H new ATOM 0 HG22 VAL A 121 4.672 6.749 -7.303 1.00 1.29 H new ATOM 0 HG23 VAL A 121 6.419 6.504 -7.538 1.00 1.29 H new ATOM 522 N SER A 122 8.399 8.927 -6.053 1.00 0.45 N ATOM 523 CA SER A 122 9.582 9.252 -6.917 1.00 0.52 C ATOM 524 C SER A 122 9.745 8.217 -8.031 1.00 0.44 C ATOM 525 O SER A 122 9.909 7.037 -7.782 1.00 0.35 O ATOM 526 CB SER A 122 10.787 9.208 -5.977 1.00 0.63 C ATOM 527 OG SER A 122 10.577 10.115 -4.903 1.00 1.10 O ATOM 0 H SER A 122 8.603 8.839 -5.058 1.00 0.45 H new ATOM 0 HA SER A 122 9.470 10.221 -7.403 1.00 0.52 H new ATOM 0 HB2 SER A 122 10.927 8.198 -5.593 1.00 0.63 H new ATOM 0 HB3 SER A 122 11.695 9.472 -6.519 1.00 0.63 H new ATOM 0 HG SER A 122 11.347 10.088 -4.297 1.00 1.10 H new ATOM 533 N GLU A 123 9.714 8.664 -9.261 1.00 0.55 N ATOM 534 CA GLU A 123 9.883 7.728 -10.413 1.00 0.58 C ATOM 535 C GLU A 123 11.241 7.035 -10.315 1.00 0.52 C ATOM 536 O GLU A 123 11.398 5.895 -10.709 1.00 0.53 O ATOM 537 CB GLU A 123 9.799 8.603 -11.666 1.00 0.77 C ATOM 538 CG GLU A 123 8.359 9.101 -11.838 1.00 1.44 C ATOM 539 CD GLU A 123 8.253 10.040 -13.049 1.00 1.61 C ATOM 540 OE1 GLU A 123 9.228 10.172 -13.774 1.00 2.15 O ATOM 541 OE2 GLU A 123 7.192 10.616 -13.228 1.00 1.75 O ATOM 0 H GLU A 123 9.578 9.642 -9.518 1.00 0.55 H new ATOM 0 HA GLU A 123 9.125 6.945 -10.430 1.00 0.58 H new ATOM 0 HB2 GLU A 123 10.481 9.449 -11.580 1.00 0.77 H new ATOM 0 HB3 GLU A 123 10.107 8.034 -12.543 1.00 0.77 H new ATOM 0 HG2 GLU A 123 7.688 8.252 -11.969 1.00 1.44 H new ATOM 0 HG3 GLU A 123 8.039 9.624 -10.937 1.00 1.44 H new ATOM 548 N ALA A 124 12.224 7.720 -9.781 1.00 0.50 N ATOM 549 CA ALA A 124 13.583 7.105 -9.642 1.00 0.50 C ATOM 550 C ALA A 124 13.492 5.820 -8.811 1.00 0.39 C ATOM 551 O ALA A 124 13.984 4.778 -9.203 1.00 0.45 O ATOM 552 CB ALA A 124 14.429 8.151 -8.912 1.00 0.56 C ATOM 0 H ALA A 124 12.145 8.677 -9.436 1.00 0.50 H new ATOM 0 HA ALA A 124 14.014 6.839 -10.607 1.00 0.50 H new ATOM 0 HB1 ALA A 124 15.441 7.769 -8.774 1.00 0.56 H new ATOM 0 HB2 ALA A 124 14.464 9.067 -9.502 1.00 0.56 H new ATOM 0 HB3 ALA A 124 13.986 8.363 -7.939 1.00 0.56 H new ATOM 558 N LYS A 125 12.854 5.891 -7.670 1.00 0.31 N ATOM 559 CA LYS A 125 12.712 4.677 -6.806 1.00 0.34 C ATOM 560 C LYS A 125 11.933 3.595 -7.555 1.00 0.34 C ATOM 561 O LYS A 125 12.299 2.435 -7.547 1.00 0.39 O ATOM 562 CB LYS A 125 11.928 5.155 -5.584 1.00 0.42 C ATOM 563 CG LYS A 125 12.784 6.153 -4.804 1.00 0.54 C ATOM 564 CD LYS A 125 12.019 6.644 -3.576 1.00 0.75 C ATOM 565 CE LYS A 125 12.879 7.660 -2.821 1.00 0.75 C ATOM 566 NZ LYS A 125 12.264 7.761 -1.469 1.00 1.56 N ATOM 0 H LYS A 125 12.424 6.738 -7.298 1.00 0.31 H new ATOM 0 HA LYS A 125 13.674 4.245 -6.529 1.00 0.34 H new ATOM 0 HB2 LYS A 125 10.994 5.622 -5.895 1.00 0.42 H new ATOM 0 HB3 LYS A 125 11.665 4.308 -4.950 1.00 0.42 H new ATOM 0 HG2 LYS A 125 13.718 5.683 -4.497 1.00 0.54 H new ATOM 0 HG3 LYS A 125 13.046 6.997 -5.442 1.00 0.54 H new ATOM 0 HD2 LYS A 125 11.077 7.101 -3.878 1.00 0.75 H new ATOM 0 HD3 LYS A 125 11.772 5.804 -2.926 1.00 0.75 H new ATOM 0 HE2 LYS A 125 13.916 7.330 -2.759 1.00 0.75 H new ATOM 0 HE3 LYS A 125 12.882 8.626 -3.326 1.00 0.75 H new ATOM 0 HZ1 LYS A 125 12.946 8.185 -0.808 1.00 1.56 H new ATOM 0 HZ2 LYS A 125 11.413 8.357 -1.518 1.00 1.56 H new ATOM 0 HZ3 LYS A 125 12.002 6.812 -1.135 1.00 1.56 H new ATOM 580 N MET A 126 10.870 3.975 -8.220 1.00 0.42 N ATOM 581 CA MET A 126 10.066 2.979 -8.996 1.00 0.56 C ATOM 582 C MET A 126 10.943 2.328 -10.066 1.00 0.57 C ATOM 583 O MET A 126 10.858 1.142 -10.320 1.00 0.66 O ATOM 584 CB MET A 126 8.941 3.790 -9.655 1.00 0.70 C ATOM 585 CG MET A 126 7.934 4.251 -8.600 1.00 1.10 C ATOM 586 SD MET A 126 6.909 2.845 -8.109 1.00 1.90 S ATOM 587 CE MET A 126 6.067 2.624 -9.696 1.00 2.03 C ATOM 0 H MET A 126 10.523 4.933 -8.259 1.00 0.42 H new ATOM 0 HA MET A 126 9.674 2.183 -8.363 1.00 0.56 H new ATOM 0 HB2 MET A 126 9.360 4.654 -10.171 1.00 0.70 H new ATOM 0 HB3 MET A 126 8.438 3.183 -10.408 1.00 0.70 H new ATOM 0 HG2 MET A 126 8.456 4.657 -7.733 1.00 1.10 H new ATOM 0 HG3 MET A 126 7.310 5.050 -8.999 1.00 1.10 H new ATOM 0 HE1 MET A 126 5.003 2.460 -9.524 1.00 2.03 H new ATOM 0 HE2 MET A 126 6.202 3.516 -10.307 1.00 2.03 H new ATOM 0 HE3 MET A 126 6.488 1.762 -10.214 1.00 2.03 H new ATOM 597 N ASP A 127 11.780 3.110 -10.696 1.00 0.55 N ATOM 598 CA ASP A 127 12.671 2.563 -11.763 1.00 0.62 C ATOM 599 C ASP A 127 13.581 1.468 -11.193 1.00 0.54 C ATOM 600 O ASP A 127 13.808 0.452 -11.825 1.00 0.59 O ATOM 601 CB ASP A 127 13.503 3.758 -12.242 1.00 0.71 C ATOM 602 CG ASP A 127 14.448 3.316 -13.362 1.00 1.04 C ATOM 603 OD1 ASP A 127 15.332 2.521 -13.086 1.00 1.71 O ATOM 604 OD2 ASP A 127 14.272 3.781 -14.476 1.00 1.60 O ATOM 0 H ASP A 127 11.886 4.109 -10.517 1.00 0.55 H new ATOM 0 HA ASP A 127 12.104 2.109 -12.576 1.00 0.62 H new ATOM 0 HB2 ASP A 127 12.846 4.550 -12.600 1.00 0.71 H new ATOM 0 HB3 ASP A 127 14.076 4.170 -11.411 1.00 0.71 H new ATOM 609 N GLY A 128 14.096 1.664 -10.003 1.00 0.46 N ATOM 610 CA GLY A 128 14.985 0.630 -9.398 1.00 0.46 C ATOM 611 C GLY A 128 14.184 -0.550 -8.853 1.00 0.48 C ATOM 612 O GLY A 128 14.546 -1.693 -9.068 1.00 0.51 O ATOM 0 H GLY A 128 13.939 2.492 -9.429 1.00 0.46 H new ATOM 0 HA2 GLY A 128 15.693 0.275 -10.147 1.00 0.46 H new ATOM 0 HA3 GLY A 128 15.569 1.077 -8.593 1.00 0.46 H new ATOM 616 N ILE A 129 13.115 -0.299 -8.135 1.00 0.54 N ATOM 617 CA ILE A 129 12.327 -1.435 -7.571 1.00 0.68 C ATOM 618 C ILE A 129 11.798 -2.333 -8.707 1.00 0.68 C ATOM 619 O ILE A 129 11.937 -3.541 -8.667 1.00 0.72 O ATOM 620 CB ILE A 129 11.203 -0.782 -6.719 1.00 0.86 C ATOM 621 CG1 ILE A 129 10.867 -1.724 -5.565 1.00 1.04 C ATOM 622 CG2 ILE A 129 9.926 -0.499 -7.528 1.00 1.77 C ATOM 623 CD1 ILE A 129 11.978 -1.651 -4.518 1.00 2.01 C ATOM 0 H ILE A 129 12.759 0.632 -7.918 1.00 0.54 H new ATOM 0 HA ILE A 129 12.923 -2.098 -6.944 1.00 0.68 H new ATOM 0 HB ILE A 129 11.572 0.179 -6.360 1.00 0.86 H new ATOM 0 HG12 ILE A 129 9.912 -1.446 -5.119 1.00 1.04 H new ATOM 0 HG13 ILE A 129 10.763 -2.745 -5.932 1.00 1.04 H new ATOM 0 HG21 ILE A 129 9.178 -0.043 -6.879 1.00 1.77 H new ATOM 0 HG22 ILE A 129 10.158 0.181 -8.348 1.00 1.77 H new ATOM 0 HG23 ILE A 129 9.536 -1.434 -7.931 1.00 1.77 H new ATOM 0 HD11 ILE A 129 11.744 -2.322 -3.691 1.00 2.01 H new ATOM 0 HD12 ILE A 129 12.924 -1.949 -4.970 1.00 2.01 H new ATOM 0 HD13 ILE A 129 12.060 -0.630 -4.145 1.00 2.01 H new ATOM 635 N GLU A 130 11.194 -1.747 -9.708 1.00 0.70 N ATOM 636 CA GLU A 130 10.651 -2.555 -10.843 1.00 0.77 C ATOM 637 C GLU A 130 11.759 -3.336 -11.566 1.00 0.65 C ATOM 638 O GLU A 130 11.636 -4.526 -11.792 1.00 0.68 O ATOM 639 CB GLU A 130 10.014 -1.537 -11.790 1.00 0.85 C ATOM 640 CG GLU A 130 9.346 -2.276 -12.953 1.00 1.41 C ATOM 641 CD GLU A 130 8.697 -1.276 -13.922 1.00 1.66 C ATOM 642 OE1 GLU A 130 8.612 -0.104 -13.583 1.00 2.01 O ATOM 643 OE2 GLU A 130 8.289 -1.703 -14.990 1.00 2.14 O ATOM 0 H GLU A 130 11.052 -0.740 -9.789 1.00 0.70 H new ATOM 0 HA GLU A 130 9.938 -3.300 -10.490 1.00 0.77 H new ATOM 0 HB2 GLU A 130 9.278 -0.936 -11.255 1.00 0.85 H new ATOM 0 HB3 GLU A 130 10.772 -0.851 -12.168 1.00 0.85 H new ATOM 0 HG2 GLU A 130 10.085 -2.877 -13.482 1.00 1.41 H new ATOM 0 HG3 GLU A 130 8.591 -2.963 -12.570 1.00 1.41 H new ATOM 650 N GLU A 131 12.826 -2.674 -11.950 1.00 0.59 N ATOM 651 CA GLU A 131 13.923 -3.384 -12.684 1.00 0.55 C ATOM 652 C GLU A 131 14.624 -4.394 -11.777 1.00 0.47 C ATOM 653 O GLU A 131 14.961 -5.487 -12.195 1.00 0.45 O ATOM 654 CB GLU A 131 14.901 -2.287 -13.112 1.00 0.63 C ATOM 655 CG GLU A 131 14.261 -1.426 -14.207 1.00 1.38 C ATOM 656 CD GLU A 131 15.230 -0.318 -14.650 1.00 1.89 C ATOM 657 OE1 GLU A 131 16.260 -0.151 -14.011 1.00 2.30 O ATOM 658 OE2 GLU A 131 14.921 0.351 -15.622 1.00 2.50 O ATOM 0 H GLU A 131 12.984 -1.679 -11.788 1.00 0.59 H new ATOM 0 HA GLU A 131 13.536 -3.944 -13.535 1.00 0.55 H new ATOM 0 HB2 GLU A 131 15.165 -1.667 -12.255 1.00 0.63 H new ATOM 0 HB3 GLU A 131 15.825 -2.733 -13.480 1.00 0.63 H new ATOM 0 HG2 GLU A 131 13.996 -2.050 -15.061 1.00 1.38 H new ATOM 0 HG3 GLU A 131 13.336 -0.983 -13.837 1.00 1.38 H new ATOM 665 N LYS A 132 14.847 -4.035 -10.543 1.00 0.51 N ATOM 666 CA LYS A 132 15.530 -4.968 -9.598 1.00 0.53 C ATOM 667 C LYS A 132 14.612 -6.145 -9.254 1.00 0.54 C ATOM 668 O LYS A 132 15.062 -7.257 -9.055 1.00 0.63 O ATOM 669 CB LYS A 132 15.839 -4.135 -8.352 1.00 0.68 C ATOM 670 CG LYS A 132 16.633 -4.983 -7.354 1.00 1.39 C ATOM 671 CD LYS A 132 18.000 -5.330 -7.951 1.00 1.91 C ATOM 672 CE LYS A 132 18.867 -6.008 -6.888 1.00 2.62 C ATOM 673 NZ LYS A 132 19.623 -7.060 -7.622 1.00 2.69 N ATOM 0 H LYS A 132 14.585 -3.133 -10.145 1.00 0.51 H new ATOM 0 HA LYS A 132 16.437 -5.393 -10.029 1.00 0.53 H new ATOM 0 HB2 LYS A 132 16.410 -3.248 -8.627 1.00 0.68 H new ATOM 0 HB3 LYS A 132 14.912 -3.788 -7.894 1.00 0.68 H new ATOM 0 HG2 LYS A 132 16.761 -4.438 -6.419 1.00 1.39 H new ATOM 0 HG3 LYS A 132 16.085 -5.895 -7.119 1.00 1.39 H new ATOM 0 HD2 LYS A 132 17.876 -5.990 -8.809 1.00 1.91 H new ATOM 0 HD3 LYS A 132 18.490 -4.426 -8.312 1.00 1.91 H new ATOM 0 HE2 LYS A 132 19.542 -5.294 -6.415 1.00 2.62 H new ATOM 0 HE3 LYS A 132 18.255 -6.441 -6.097 1.00 2.62 H new ATOM 0 HZ1 LYS A 132 20.241 -7.570 -6.959 1.00 2.69 H new ATOM 0 HZ2 LYS A 132 18.955 -7.728 -8.056 1.00 2.69 H new ATOM 0 HZ3 LYS A 132 20.202 -6.618 -8.364 1.00 2.69 H new ATOM 687 N TYR A 133 13.330 -5.896 -9.158 1.00 0.55 N ATOM 688 CA TYR A 133 12.371 -6.981 -8.797 1.00 0.65 C ATOM 689 C TYR A 133 11.220 -7.037 -9.814 1.00 0.54 C ATOM 690 O TYR A 133 10.160 -6.493 -9.572 1.00 0.66 O ATOM 691 CB TYR A 133 11.845 -6.581 -7.422 1.00 0.89 C ATOM 692 CG TYR A 133 12.996 -6.449 -6.454 1.00 1.14 C ATOM 693 CD1 TYR A 133 13.593 -7.589 -5.907 1.00 0.98 C ATOM 694 CD2 TYR A 133 13.467 -5.177 -6.112 1.00 2.20 C ATOM 695 CE1 TYR A 133 14.663 -7.456 -5.015 1.00 1.14 C ATOM 696 CE2 TYR A 133 14.534 -5.043 -5.222 1.00 2.44 C ATOM 697 CZ TYR A 133 15.134 -6.182 -4.672 1.00 1.67 C ATOM 698 OH TYR A 133 16.190 -6.051 -3.793 1.00 1.95 O ATOM 0 H TYR A 133 12.906 -4.982 -9.315 1.00 0.55 H new ATOM 0 HA TYR A 133 12.837 -7.966 -8.795 1.00 0.65 H new ATOM 0 HB2 TYR A 133 11.304 -5.637 -7.490 1.00 0.89 H new ATOM 0 HB3 TYR A 133 11.138 -7.328 -7.061 1.00 0.89 H new ATOM 0 HD1 TYR A 133 13.229 -8.571 -6.172 1.00 0.98 H new ATOM 0 HD2 TYR A 133 13.005 -4.298 -6.537 1.00 2.20 H new ATOM 0 HE1 TYR A 133 15.125 -8.335 -4.591 1.00 1.14 H new ATOM 0 HE2 TYR A 133 14.897 -4.061 -4.958 1.00 2.44 H new ATOM 0 HH TYR A 133 16.392 -5.101 -3.664 1.00 1.95 H new ATOM 708 N PRO A 134 11.463 -7.679 -10.934 1.00 0.51 N ATOM 709 CA PRO A 134 10.422 -7.770 -11.986 1.00 0.53 C ATOM 710 C PRO A 134 9.305 -8.762 -11.617 1.00 0.47 C ATOM 711 O PRO A 134 8.357 -8.915 -12.366 1.00 0.54 O ATOM 712 CB PRO A 134 11.189 -8.264 -13.210 1.00 0.70 C ATOM 713 CG PRO A 134 12.379 -8.986 -12.664 1.00 0.76 C ATOM 714 CD PRO A 134 12.705 -8.368 -11.330 1.00 0.66 C ATOM 0 HA PRO A 134 9.918 -6.816 -12.141 1.00 0.53 H new ATOM 0 HB2 PRO A 134 10.573 -8.925 -13.820 1.00 0.70 H new ATOM 0 HB3 PRO A 134 11.491 -7.433 -13.847 1.00 0.70 H new ATOM 0 HG2 PRO A 134 12.166 -10.049 -12.553 1.00 0.76 H new ATOM 0 HG3 PRO A 134 13.226 -8.900 -13.345 1.00 0.76 H new ATOM 0 HD2 PRO A 134 12.990 -9.125 -10.600 1.00 0.66 H new ATOM 0 HD3 PRO A 134 13.539 -7.671 -11.408 1.00 0.66 H new ATOM 722 N ARG A 135 9.400 -9.452 -10.497 1.00 0.43 N ATOM 723 CA ARG A 135 8.316 -10.435 -10.155 1.00 0.48 C ATOM 724 C ARG A 135 8.072 -10.557 -8.635 1.00 0.43 C ATOM 725 O ARG A 135 7.297 -11.390 -8.203 1.00 0.60 O ATOM 726 CB ARG A 135 8.819 -11.761 -10.741 1.00 0.70 C ATOM 727 CG ARG A 135 7.729 -12.840 -10.657 1.00 0.91 C ATOM 728 CD ARG A 135 6.493 -12.392 -11.447 1.00 1.17 C ATOM 729 NE ARG A 135 5.580 -13.570 -11.453 1.00 1.44 N ATOM 730 CZ ARG A 135 4.473 -13.529 -12.144 1.00 2.17 C ATOM 731 NH1 ARG A 135 4.519 -13.436 -13.444 1.00 2.61 N ATOM 732 NH2 ARG A 135 3.321 -13.579 -11.533 1.00 3.07 N ATOM 0 H ARG A 135 10.161 -9.380 -9.822 1.00 0.43 H new ATOM 0 HA ARG A 135 7.353 -10.123 -10.560 1.00 0.48 H new ATOM 0 HB2 ARG A 135 9.115 -11.616 -11.780 1.00 0.70 H new ATOM 0 HB3 ARG A 135 9.706 -12.090 -10.200 1.00 0.70 H new ATOM 0 HG2 ARG A 135 8.105 -13.782 -11.056 1.00 0.91 H new ATOM 0 HG3 ARG A 135 7.461 -13.019 -9.616 1.00 0.91 H new ATOM 0 HD2 ARG A 135 6.019 -11.529 -10.979 1.00 1.17 H new ATOM 0 HD3 ARG A 135 6.761 -12.097 -12.462 1.00 1.17 H new ATOM 0 HE ARG A 135 5.819 -14.405 -10.919 1.00 1.44 H new ATOM 0 HH11 ARG A 135 5.420 -13.395 -13.921 1.00 2.61 H new ATOM 0 HH12 ARG A 135 3.654 -13.404 -13.984 1.00 2.61 H new ATOM 0 HH21 ARG A 135 3.286 -13.650 -10.516 1.00 3.07 H new ATOM 0 HH22 ARG A 135 2.456 -13.547 -12.072 1.00 3.07 H new ATOM 746 N SER A 136 8.696 -9.742 -7.818 1.00 0.51 N ATOM 747 CA SER A 136 8.455 -9.846 -6.341 1.00 0.44 C ATOM 748 C SER A 136 7.413 -8.830 -5.900 1.00 0.33 C ATOM 749 O SER A 136 7.623 -7.633 -5.966 1.00 0.30 O ATOM 750 CB SER A 136 9.805 -9.557 -5.690 1.00 0.50 C ATOM 751 OG SER A 136 9.674 -9.645 -4.278 1.00 0.90 O ATOM 0 H SER A 136 9.354 -9.017 -8.104 1.00 0.51 H new ATOM 0 HA SER A 136 8.074 -10.827 -6.057 1.00 0.44 H new ATOM 0 HB2 SER A 136 10.551 -10.269 -6.043 1.00 0.50 H new ATOM 0 HB3 SER A 136 10.153 -8.564 -5.973 1.00 0.50 H new ATOM 0 HG SER A 136 10.379 -10.223 -3.919 1.00 0.90 H new ATOM 757 N LEU A 137 6.287 -9.311 -5.441 1.00 0.31 N ATOM 758 CA LEU A 137 5.209 -8.392 -4.977 1.00 0.24 C ATOM 759 C LEU A 137 5.723 -7.595 -3.782 1.00 0.20 C ATOM 760 O LEU A 137 5.508 -6.407 -3.665 1.00 0.21 O ATOM 761 CB LEU A 137 4.053 -9.316 -4.546 1.00 0.23 C ATOM 762 CG LEU A 137 2.818 -8.484 -4.191 1.00 0.21 C ATOM 763 CD1 LEU A 137 2.354 -7.700 -5.429 1.00 0.23 C ATOM 764 CD2 LEU A 137 1.700 -9.427 -3.732 1.00 0.27 C ATOM 0 H LEU A 137 6.068 -10.305 -5.368 1.00 0.31 H new ATOM 0 HA LEU A 137 4.893 -7.685 -5.744 1.00 0.24 H new ATOM 0 HB2 LEU A 137 3.814 -10.011 -5.351 1.00 0.23 H new ATOM 0 HB3 LEU A 137 4.357 -9.915 -3.687 1.00 0.23 H new ATOM 0 HG LEU A 137 3.061 -7.782 -3.393 1.00 0.21 H new ATOM 0 HD11 LEU A 137 1.475 -7.108 -5.176 1.00 0.23 H new ATOM 0 HD12 LEU A 137 3.154 -7.038 -5.762 1.00 0.23 H new ATOM 0 HD13 LEU A 137 2.104 -8.397 -6.229 1.00 0.23 H new ATOM 0 HD21 LEU A 137 0.815 -8.845 -3.476 1.00 0.27 H new ATOM 0 HD22 LEU A 137 1.457 -10.122 -4.536 1.00 0.27 H new ATOM 0 HD23 LEU A 137 2.032 -9.986 -2.857 1.00 0.27 H new ATOM 776 N SER A 138 6.402 -8.268 -2.899 1.00 0.24 N ATOM 777 CA SER A 138 6.954 -7.603 -1.676 1.00 0.26 C ATOM 778 C SER A 138 8.000 -6.526 -2.010 1.00 0.20 C ATOM 779 O SER A 138 7.971 -5.437 -1.470 1.00 0.22 O ATOM 780 CB SER A 138 7.601 -8.737 -0.881 1.00 0.38 C ATOM 781 OG SER A 138 8.342 -8.191 0.202 1.00 1.01 O ATOM 0 H SER A 138 6.604 -9.265 -2.969 1.00 0.24 H new ATOM 0 HA SER A 138 6.169 -7.084 -1.127 1.00 0.26 H new ATOM 0 HB2 SER A 138 6.835 -9.416 -0.506 1.00 0.38 H new ATOM 0 HB3 SER A 138 8.257 -9.321 -1.527 1.00 0.38 H new ATOM 0 HG SER A 138 8.295 -8.799 0.970 1.00 1.01 H new ATOM 787 N GLU A 139 8.946 -6.838 -2.859 1.00 0.24 N ATOM 788 CA GLU A 139 10.029 -5.850 -3.188 1.00 0.25 C ATOM 789 C GLU A 139 9.493 -4.622 -3.927 1.00 0.21 C ATOM 790 O GLU A 139 9.941 -3.513 -3.698 1.00 0.21 O ATOM 791 CB GLU A 139 10.996 -6.595 -4.104 1.00 0.39 C ATOM 792 CG GLU A 139 11.567 -7.820 -3.387 1.00 1.09 C ATOM 793 CD GLU A 139 12.753 -7.402 -2.515 1.00 2.02 C ATOM 794 OE1 GLU A 139 12.691 -6.329 -1.938 1.00 2.24 O ATOM 795 OE2 GLU A 139 13.705 -8.162 -2.442 1.00 2.92 O ATOM 0 H GLU A 139 9.019 -7.734 -3.341 1.00 0.24 H new ATOM 0 HA GLU A 139 10.493 -5.486 -2.271 1.00 0.25 H new ATOM 0 HB2 GLU A 139 10.481 -6.904 -5.014 1.00 0.39 H new ATOM 0 HB3 GLU A 139 11.806 -5.931 -4.406 1.00 0.39 H new ATOM 0 HG2 GLU A 139 10.797 -8.285 -2.771 1.00 1.09 H new ATOM 0 HG3 GLU A 139 11.885 -8.565 -4.117 1.00 1.09 H new ATOM 802 N ARG A 140 8.574 -4.811 -4.838 1.00 0.26 N ATOM 803 CA ARG A 140 8.056 -3.649 -5.623 1.00 0.33 C ATOM 804 C ARG A 140 7.209 -2.708 -4.763 1.00 0.29 C ATOM 805 O ARG A 140 7.462 -1.518 -4.709 1.00 0.35 O ATOM 806 CB ARG A 140 7.211 -4.265 -6.747 1.00 0.42 C ATOM 807 CG ARG A 140 8.139 -4.883 -7.799 1.00 1.07 C ATOM 808 CD ARG A 140 7.312 -5.459 -8.956 1.00 1.17 C ATOM 809 NE ARG A 140 6.824 -6.786 -8.477 1.00 0.98 N ATOM 810 CZ ARG A 140 6.278 -7.632 -9.316 1.00 1.13 C ATOM 811 NH1 ARG A 140 6.745 -7.757 -10.530 1.00 1.60 N ATOM 812 NH2 ARG A 140 5.265 -8.362 -8.936 1.00 1.55 N ATOM 0 H ARG A 140 8.161 -5.714 -5.072 1.00 0.26 H new ATOM 0 HA ARG A 140 8.874 -3.040 -6.007 1.00 0.33 H new ATOM 0 HB2 ARG A 140 6.545 -5.026 -6.341 1.00 0.42 H new ATOM 0 HB3 ARG A 140 6.582 -3.502 -7.204 1.00 0.42 H new ATOM 0 HG2 ARG A 140 8.829 -4.128 -8.175 1.00 1.07 H new ATOM 0 HG3 ARG A 140 8.743 -5.669 -7.346 1.00 1.07 H new ATOM 0 HD2 ARG A 140 6.479 -4.802 -9.208 1.00 1.17 H new ATOM 0 HD3 ARG A 140 7.918 -5.565 -9.856 1.00 1.17 H new ATOM 0 HE ARG A 140 6.916 -7.035 -7.492 1.00 0.98 H new ATOM 0 HH11 ARG A 140 7.540 -7.194 -10.831 1.00 1.60 H new ATOM 0 HH12 ARG A 140 6.314 -8.418 -11.177 1.00 1.60 H new ATOM 0 HH21 ARG A 140 4.900 -8.273 -7.988 1.00 1.55 H new ATOM 0 HH22 ARG A 140 4.839 -9.021 -9.587 1.00 1.55 H new ATOM 826 N VAL A 141 6.198 -3.217 -4.119 1.00 0.24 N ATOM 827 CA VAL A 141 5.315 -2.336 -3.289 1.00 0.27 C ATOM 828 C VAL A 141 6.017 -1.743 -2.055 1.00 0.25 C ATOM 829 O VAL A 141 5.786 -0.607 -1.714 1.00 0.29 O ATOM 830 CB VAL A 141 4.142 -3.214 -2.862 1.00 0.28 C ATOM 831 CG1 VAL A 141 3.404 -3.723 -4.103 1.00 0.33 C ATOM 832 CG2 VAL A 141 4.644 -4.405 -2.047 1.00 0.23 C ATOM 0 H VAL A 141 5.940 -4.204 -4.128 1.00 0.24 H new ATOM 0 HA VAL A 141 5.007 -1.471 -3.876 1.00 0.27 H new ATOM 0 HB VAL A 141 3.464 -2.622 -2.248 1.00 0.28 H new ATOM 0 HG11 VAL A 141 2.567 -4.350 -3.797 1.00 0.33 H new ATOM 0 HG12 VAL A 141 3.031 -2.875 -4.678 1.00 0.33 H new ATOM 0 HG13 VAL A 141 4.088 -4.307 -4.719 1.00 0.33 H new ATOM 0 HG21 VAL A 141 3.798 -5.024 -1.748 1.00 0.23 H new ATOM 0 HG22 VAL A 141 5.331 -4.997 -2.652 1.00 0.23 H new ATOM 0 HG23 VAL A 141 5.162 -4.045 -1.158 1.00 0.23 H new ATOM 842 N ARG A 142 6.838 -2.493 -1.362 1.00 0.21 N ATOM 843 CA ARG A 142 7.488 -1.944 -0.119 1.00 0.22 C ATOM 844 C ARG A 142 8.160 -0.585 -0.357 1.00 0.24 C ATOM 845 O ARG A 142 7.939 0.351 0.391 1.00 0.25 O ATOM 846 CB ARG A 142 8.529 -2.982 0.298 1.00 0.27 C ATOM 847 CG ARG A 142 7.844 -4.131 1.042 1.00 0.28 C ATOM 848 CD ARG A 142 8.894 -5.165 1.456 1.00 1.02 C ATOM 849 NE ARG A 142 8.113 -6.317 1.985 1.00 0.94 N ATOM 850 CZ ARG A 142 7.731 -6.330 3.232 1.00 1.48 C ATOM 851 NH1 ARG A 142 6.647 -5.696 3.588 1.00 2.10 N ATOM 852 NH2 ARG A 142 8.431 -6.976 4.124 1.00 2.24 N ATOM 0 H ARG A 142 7.088 -3.454 -1.596 1.00 0.21 H new ATOM 0 HA ARG A 142 6.738 -1.771 0.653 1.00 0.22 H new ATOM 0 HB2 ARG A 142 9.048 -3.364 -0.581 1.00 0.27 H new ATOM 0 HB3 ARG A 142 9.282 -2.520 0.937 1.00 0.27 H new ATOM 0 HG2 ARG A 142 7.325 -3.751 1.922 1.00 0.28 H new ATOM 0 HG3 ARG A 142 7.092 -4.595 0.404 1.00 0.28 H new ATOM 0 HD2 ARG A 142 9.511 -5.462 0.608 1.00 1.02 H new ATOM 0 HD3 ARG A 142 9.567 -4.763 2.214 1.00 1.02 H new ATOM 0 HE ARG A 142 7.876 -7.097 1.372 1.00 0.94 H new ATOM 0 HH11 ARG A 142 6.099 -5.191 2.891 1.00 2.10 H new ATOM 0 HH12 ARG A 142 6.347 -5.706 4.563 1.00 2.10 H new ATOM 0 HH21 ARG A 142 9.278 -7.472 3.846 1.00 2.24 H new ATOM 0 HH22 ARG A 142 8.131 -6.985 5.099 1.00 2.24 H new ATOM 866 N GLU A 143 8.972 -0.462 -1.373 1.00 0.26 N ATOM 867 CA GLU A 143 9.646 0.852 -1.630 1.00 0.31 C ATOM 868 C GLU A 143 8.599 1.938 -1.903 1.00 0.30 C ATOM 869 O GLU A 143 8.616 3.005 -1.313 1.00 0.31 O ATOM 870 CB GLU A 143 10.520 0.617 -2.862 1.00 0.36 C ATOM 871 CG GLU A 143 11.334 1.878 -3.163 1.00 0.44 C ATOM 872 CD GLU A 143 12.375 2.103 -2.060 1.00 0.97 C ATOM 873 OE1 GLU A 143 12.749 1.138 -1.410 1.00 1.84 O ATOM 874 OE2 GLU A 143 12.781 3.239 -1.882 1.00 1.62 O ATOM 0 H GLU A 143 9.199 -1.206 -2.033 1.00 0.26 H new ATOM 0 HA GLU A 143 10.235 1.190 -0.777 1.00 0.31 H new ATOM 0 HB2 GLU A 143 11.188 -0.227 -2.691 1.00 0.36 H new ATOM 0 HB3 GLU A 143 9.897 0.361 -3.719 1.00 0.36 H new ATOM 0 HG2 GLU A 143 11.830 1.779 -4.129 1.00 0.44 H new ATOM 0 HG3 GLU A 143 10.672 2.741 -3.232 1.00 0.44 H new ATOM 881 N SER A 144 7.685 1.660 -2.793 1.00 0.29 N ATOM 882 CA SER A 144 6.614 2.651 -3.127 1.00 0.29 C ATOM 883 C SER A 144 5.740 2.929 -1.899 1.00 0.28 C ATOM 884 O SER A 144 5.342 4.051 -1.646 1.00 0.28 O ATOM 885 CB SER A 144 5.797 1.987 -4.233 1.00 0.29 C ATOM 886 OG SER A 144 6.605 1.853 -5.392 1.00 1.34 O ATOM 0 H SER A 144 7.632 0.782 -3.309 1.00 0.29 H new ATOM 0 HA SER A 144 7.023 3.611 -3.442 1.00 0.29 H new ATOM 0 HB2 SER A 144 5.445 1.009 -3.905 1.00 0.29 H new ATOM 0 HB3 SER A 144 4.913 2.584 -4.458 1.00 0.29 H new ATOM 0 HG SER A 144 6.182 2.321 -6.142 1.00 1.34 H new ATOM 892 N LEU A 145 5.435 1.910 -1.142 1.00 0.27 N ATOM 893 CA LEU A 145 4.589 2.089 0.067 1.00 0.28 C ATOM 894 C LEU A 145 5.351 2.883 1.126 1.00 0.30 C ATOM 895 O LEU A 145 4.773 3.662 1.862 1.00 0.30 O ATOM 896 CB LEU A 145 4.293 0.666 0.558 1.00 0.29 C ATOM 897 CG LEU A 145 2.978 0.149 -0.045 1.00 0.37 C ATOM 898 CD1 LEU A 145 2.991 0.186 -1.582 1.00 0.73 C ATOM 899 CD2 LEU A 145 2.736 -1.288 0.431 1.00 0.67 C ATOM 0 H LEU A 145 5.740 0.952 -1.314 1.00 0.27 H new ATOM 0 HA LEU A 145 3.673 2.642 -0.142 1.00 0.28 H new ATOM 0 HB2 LEU A 145 5.112 0.002 0.281 1.00 0.29 H new ATOM 0 HB3 LEU A 145 4.229 0.657 1.646 1.00 0.29 H new ATOM 0 HG LEU A 145 2.175 0.804 0.292 1.00 0.37 H new ATOM 0 HD11 LEU A 145 2.041 -0.189 -1.963 1.00 0.73 H new ATOM 0 HD12 LEU A 145 3.138 1.212 -1.920 1.00 0.73 H new ATOM 0 HD13 LEU A 145 3.803 -0.439 -1.954 1.00 0.73 H new ATOM 0 HD21 LEU A 145 1.804 -1.660 0.006 1.00 0.67 H new ATOM 0 HD22 LEU A 145 3.561 -1.922 0.107 1.00 0.67 H new ATOM 0 HD23 LEU A 145 2.671 -1.305 1.519 1.00 0.67 H new ATOM 911 N LYS A 146 6.642 2.688 1.214 1.00 0.33 N ATOM 912 CA LYS A 146 7.440 3.431 2.234 1.00 0.35 C ATOM 913 C LYS A 146 7.344 4.944 2.004 1.00 0.34 C ATOM 914 O LYS A 146 7.015 5.690 2.908 1.00 0.35 O ATOM 915 CB LYS A 146 8.881 2.950 2.049 1.00 0.41 C ATOM 916 CG LYS A 146 9.770 3.585 3.121 1.00 1.01 C ATOM 917 CD LYS A 146 11.182 3.004 3.025 1.00 1.15 C ATOM 918 CE LYS A 146 12.031 3.540 4.180 1.00 1.96 C ATOM 919 NZ LYS A 146 12.948 2.420 4.534 1.00 2.32 N ATOM 0 H LYS A 146 7.176 2.049 0.626 1.00 0.33 H new ATOM 0 HA LYS A 146 7.075 3.246 3.244 1.00 0.35 H new ATOM 0 HB2 LYS A 146 8.925 1.863 2.121 1.00 0.41 H new ATOM 0 HB3 LYS A 146 9.241 3.219 1.056 1.00 0.41 H new ATOM 0 HG2 LYS A 146 9.801 4.667 2.989 1.00 1.01 H new ATOM 0 HG3 LYS A 146 9.355 3.397 4.111 1.00 1.01 H new ATOM 0 HD2 LYS A 146 11.143 1.915 3.063 1.00 1.15 H new ATOM 0 HD3 LYS A 146 11.634 3.274 2.071 1.00 1.15 H new ATOM 0 HE2 LYS A 146 12.589 4.428 3.882 1.00 1.96 H new ATOM 0 HE3 LYS A 146 11.409 3.825 5.029 1.00 1.96 H new ATOM 0 HZ1 LYS A 146 13.564 2.711 5.320 1.00 2.32 H new ATOM 0 HZ2 LYS A 146 12.389 1.591 4.820 1.00 2.32 H new ATOM 0 HZ3 LYS A 146 13.532 2.176 3.709 1.00 2.32 H new ATOM 933 N VAL A 147 7.632 5.405 0.810 1.00 0.32 N ATOM 934 CA VAL A 147 7.562 6.879 0.544 1.00 0.33 C ATOM 935 C VAL A 147 6.141 7.416 0.757 1.00 0.31 C ATOM 936 O VAL A 147 5.957 8.423 1.417 1.00 0.31 O ATOM 937 CB VAL A 147 8.041 7.083 -0.896 1.00 0.36 C ATOM 938 CG1 VAL A 147 9.493 6.618 -0.996 1.00 0.40 C ATOM 939 CG2 VAL A 147 7.182 6.285 -1.883 1.00 0.36 C ATOM 0 H VAL A 147 7.910 4.831 0.014 1.00 0.32 H new ATOM 0 HA VAL A 147 8.192 7.435 1.238 1.00 0.33 H new ATOM 0 HB VAL A 147 7.956 8.139 -1.151 1.00 0.36 H new ATOM 0 HG11 VAL A 147 9.850 6.757 -2.017 1.00 0.40 H new ATOM 0 HG12 VAL A 147 10.110 7.202 -0.313 1.00 0.40 H new ATOM 0 HG13 VAL A 147 9.556 5.563 -0.730 1.00 0.40 H new ATOM 0 HG21 VAL A 147 7.546 6.449 -2.897 1.00 0.36 H new ATOM 0 HG22 VAL A 147 7.243 5.223 -1.643 1.00 0.36 H new ATOM 0 HG23 VAL A 147 6.145 6.614 -1.811 1.00 0.36 H new ATOM 949 N TRP A 148 5.134 6.755 0.234 1.00 0.32 N ATOM 950 CA TRP A 148 3.732 7.243 0.451 1.00 0.33 C ATOM 951 C TRP A 148 3.427 7.190 1.963 1.00 0.32 C ATOM 952 O TRP A 148 2.936 8.141 2.541 1.00 0.32 O ATOM 953 CB TRP A 148 2.833 6.295 -0.392 1.00 0.36 C ATOM 954 CG TRP A 148 1.465 6.140 0.222 1.00 0.28 C ATOM 955 CD1 TRP A 148 0.695 7.150 0.689 1.00 0.30 C ATOM 956 CD2 TRP A 148 0.716 4.914 0.451 1.00 0.24 C ATOM 957 NE1 TRP A 148 -0.467 6.615 1.225 1.00 0.23 N ATOM 958 CE2 TRP A 148 -0.502 5.237 1.097 1.00 0.18 C ATOM 959 CE3 TRP A 148 0.981 3.566 0.169 1.00 0.31 C ATOM 960 CZ2 TRP A 148 -1.422 4.244 1.457 1.00 0.17 C ATOM 961 CZ3 TRP A 148 0.061 2.571 0.520 1.00 0.33 C ATOM 962 CH2 TRP A 148 -1.134 2.907 1.166 1.00 0.27 C ATOM 0 H TRP A 148 5.220 5.908 -0.328 1.00 0.32 H new ATOM 0 HA TRP A 148 3.563 8.274 0.140 1.00 0.33 H new ATOM 0 HB2 TRP A 148 2.736 6.688 -1.404 1.00 0.36 H new ATOM 0 HB3 TRP A 148 3.309 5.318 -0.474 1.00 0.36 H new ATOM 0 HD1 TRP A 148 0.944 8.200 0.651 1.00 0.30 H new ATOM 0 HE1 TRP A 148 -1.205 7.169 1.660 1.00 0.23 H new ATOM 0 HE3 TRP A 148 1.903 3.293 -0.323 1.00 0.31 H new ATOM 0 HZ2 TRP A 148 -2.344 4.508 1.954 1.00 0.17 H new ATOM 0 HZ3 TRP A 148 0.275 1.537 0.291 1.00 0.33 H new ATOM 0 HH2 TRP A 148 -1.835 2.132 1.440 1.00 0.27 H new ATOM 973 N LYS A 149 3.731 6.085 2.594 1.00 0.36 N ATOM 974 CA LYS A 149 3.480 5.955 4.063 1.00 0.38 C ATOM 975 C LYS A 149 4.267 7.027 4.838 1.00 0.34 C ATOM 976 O LYS A 149 3.769 7.600 5.789 1.00 0.33 O ATOM 977 CB LYS A 149 3.949 4.536 4.423 1.00 0.52 C ATOM 978 CG LYS A 149 3.826 4.305 5.935 1.00 1.36 C ATOM 979 CD LYS A 149 4.049 2.822 6.250 1.00 2.07 C ATOM 980 CE LYS A 149 5.519 2.578 6.620 1.00 2.80 C ATOM 981 NZ LYS A 149 6.282 2.652 5.339 1.00 3.70 N ATOM 0 H LYS A 149 4.144 5.263 2.154 1.00 0.36 H new ATOM 0 HA LYS A 149 2.432 6.104 4.323 1.00 0.38 H new ATOM 0 HB2 LYS A 149 3.351 3.800 3.885 1.00 0.52 H new ATOM 0 HB3 LYS A 149 4.984 4.396 4.109 1.00 0.52 H new ATOM 0 HG2 LYS A 149 4.558 4.914 6.466 1.00 1.36 H new ATOM 0 HG3 LYS A 149 2.840 4.616 6.281 1.00 1.36 H new ATOM 0 HD2 LYS A 149 3.403 2.516 7.073 1.00 2.07 H new ATOM 0 HD3 LYS A 149 3.777 2.214 5.387 1.00 2.07 H new ATOM 0 HE2 LYS A 149 5.873 3.327 7.329 1.00 2.80 H new ATOM 0 HE3 LYS A 149 5.646 1.605 7.094 1.00 2.80 H new ATOM 0 HZ1 LYS A 149 7.059 1.961 5.357 1.00 3.70 H new ATOM 0 HZ2 LYS A 149 5.647 2.438 4.544 1.00 3.70 H new ATOM 0 HZ3 LYS A 149 6.673 3.609 5.222 1.00 3.70 H new ATOM 995 N ASN A 150 5.488 7.301 4.441 1.00 0.37 N ATOM 996 CA ASN A 150 6.303 8.337 5.160 1.00 0.41 C ATOM 997 C ASN A 150 5.639 9.714 5.077 1.00 0.39 C ATOM 998 O ASN A 150 5.647 10.471 6.031 1.00 0.46 O ATOM 999 CB ASN A 150 7.653 8.380 4.440 1.00 0.50 C ATOM 1000 CG ASN A 150 8.617 7.371 5.063 1.00 1.07 C ATOM 1001 OD1 ASN A 150 8.698 6.238 4.635 1.00 1.86 O ATOM 1002 ND2 ASN A 150 9.365 7.745 6.065 1.00 1.27 N ATOM 0 H ASN A 150 5.956 6.854 3.652 1.00 0.37 H new ATOM 0 HA ASN A 150 6.402 8.087 6.216 1.00 0.41 H new ATOM 0 HB2 ASN A 150 7.516 8.157 3.382 1.00 0.50 H new ATOM 0 HB3 ASN A 150 8.075 9.383 4.503 1.00 0.50 H new ATOM 0 HD21 ASN A 150 10.018 7.085 6.488 1.00 1.27 H new ATOM 0 HD22 ASN A 150 9.297 8.697 6.425 1.00 1.27 H new ATOM 1009 N ALA A 151 5.086 10.052 3.941 1.00 0.38 N ATOM 1010 CA ALA A 151 4.443 11.395 3.788 1.00 0.49 C ATOM 1011 C ALA A 151 3.185 11.500 4.652 1.00 0.53 C ATOM 1012 O ALA A 151 3.070 12.383 5.482 1.00 0.72 O ATOM 1013 CB ALA A 151 4.082 11.503 2.306 1.00 0.57 C ATOM 0 H ALA A 151 5.051 9.458 3.112 1.00 0.38 H new ATOM 0 HA ALA A 151 5.108 12.197 4.108 1.00 0.49 H new ATOM 0 HB1 ALA A 151 3.605 12.465 2.117 1.00 0.57 H new ATOM 0 HB2 ALA A 151 4.987 11.423 1.704 1.00 0.57 H new ATOM 0 HB3 ALA A 151 3.396 10.699 2.039 1.00 0.57 H new ATOM 1019 N GLU A 152 2.241 10.613 4.462 1.00 0.40 N ATOM 1020 CA GLU A 152 0.989 10.671 5.273 1.00 0.50 C ATOM 1021 C GLU A 152 1.262 10.275 6.724 1.00 0.60 C ATOM 1022 O GLU A 152 1.719 9.183 7.001 1.00 1.48 O ATOM 1023 CB GLU A 152 0.033 9.675 4.614 1.00 0.44 C ATOM 1024 CG GLU A 152 -0.710 10.365 3.471 1.00 0.77 C ATOM 1025 CD GLU A 152 0.275 10.722 2.356 1.00 1.10 C ATOM 1026 OE1 GLU A 152 1.198 9.955 2.140 1.00 1.66 O ATOM 1027 OE2 GLU A 152 0.091 11.759 1.739 1.00 1.81 O ATOM 0 H GLU A 152 2.284 9.854 3.782 1.00 0.40 H new ATOM 0 HA GLU A 152 0.573 11.678 5.299 1.00 0.50 H new ATOM 0 HB2 GLU A 152 0.588 8.817 4.236 1.00 0.44 H new ATOM 0 HB3 GLU A 152 -0.678 9.296 5.348 1.00 0.44 H new ATOM 0 HG2 GLU A 152 -1.490 9.710 3.084 1.00 0.77 H new ATOM 0 HG3 GLU A 152 -1.203 11.266 3.836 1.00 0.77 H new ATOM 1034 N LYS A 153 0.958 11.148 7.650 1.00 0.76 N ATOM 1035 CA LYS A 153 1.166 10.823 9.090 1.00 0.67 C ATOM 1036 C LYS A 153 -0.101 10.143 9.618 1.00 0.64 C ATOM 1037 O LYS A 153 -0.132 8.944 9.819 1.00 0.57 O ATOM 1038 CB LYS A 153 1.415 12.169 9.781 1.00 0.86 C ATOM 1039 CG LYS A 153 1.643 11.944 11.279 1.00 1.17 C ATOM 1040 CD LYS A 153 1.892 13.289 11.966 1.00 1.57 C ATOM 1041 CE LYS A 153 2.200 13.058 13.448 1.00 2.22 C ATOM 1042 NZ LYS A 153 3.032 14.225 13.854 1.00 2.51 N ATOM 0 H LYS A 153 0.573 12.075 7.468 1.00 0.76 H new ATOM 0 HA LYS A 153 2.002 10.146 9.267 1.00 0.67 H new ATOM 0 HB2 LYS A 153 2.283 12.660 9.341 1.00 0.86 H new ATOM 0 HB3 LYS A 153 0.563 12.831 9.628 1.00 0.86 H new ATOM 0 HG2 LYS A 153 0.775 11.454 11.720 1.00 1.17 H new ATOM 0 HG3 LYS A 153 2.495 11.282 11.432 1.00 1.17 H new ATOM 0 HD2 LYS A 153 2.724 13.805 11.487 1.00 1.57 H new ATOM 0 HD3 LYS A 153 1.017 13.930 11.861 1.00 1.57 H new ATOM 0 HE2 LYS A 153 1.285 13.001 14.037 1.00 2.22 H new ATOM 0 HE3 LYS A 153 2.735 12.120 13.599 1.00 2.22 H new ATOM 0 HZ1 LYS A 153 3.284 14.139 14.859 1.00 2.51 H new ATOM 0 HZ2 LYS A 153 3.899 14.249 13.281 1.00 2.51 H new ATOM 0 HZ3 LYS A 153 2.494 15.103 13.706 1.00 2.51 H new ATOM 1056 N LYS A 154 -1.155 10.895 9.811 1.00 0.73 N ATOM 1057 CA LYS A 154 -2.434 10.288 10.285 1.00 0.77 C ATOM 1058 C LYS A 154 -3.007 9.399 9.175 1.00 0.62 C ATOM 1059 O LYS A 154 -3.600 8.363 9.428 1.00 0.60 O ATOM 1060 CB LYS A 154 -3.359 11.471 10.577 1.00 0.95 C ATOM 1061 CG LYS A 154 -4.700 10.954 11.098 1.00 1.29 C ATOM 1062 CD LYS A 154 -5.610 12.139 11.422 1.00 1.34 C ATOM 1063 CE LYS A 154 -6.952 11.625 11.943 1.00 2.02 C ATOM 1064 NZ LYS A 154 -7.428 12.681 12.879 1.00 2.51 N ATOM 0 H LYS A 154 -1.184 11.903 9.661 1.00 0.73 H new ATOM 0 HA LYS A 154 -2.307 9.664 11.170 1.00 0.77 H new ATOM 0 HB2 LYS A 154 -2.901 12.131 11.313 1.00 0.95 H new ATOM 0 HB3 LYS A 154 -3.511 12.059 9.672 1.00 0.95 H new ATOM 0 HG2 LYS A 154 -5.170 10.314 10.352 1.00 1.29 H new ATOM 0 HG3 LYS A 154 -4.546 10.345 11.989 1.00 1.29 H new ATOM 0 HD2 LYS A 154 -5.139 12.779 12.168 1.00 1.34 H new ATOM 0 HD3 LYS A 154 -5.763 12.748 10.531 1.00 1.34 H new ATOM 0 HE2 LYS A 154 -7.659 11.471 11.128 1.00 2.02 H new ATOM 0 HE3 LYS A 154 -6.838 10.668 12.452 1.00 2.02 H new ATOM 0 HZ1 LYS A 154 -8.346 12.402 13.279 1.00 2.51 H new ATOM 0 HZ2 LYS A 154 -6.737 12.801 13.647 1.00 2.51 H new ATOM 0 HZ3 LYS A 154 -7.533 13.579 12.365 1.00 2.51 H new ATOM 1078 N ASN A 155 -2.813 9.797 7.941 1.00 0.57 N ATOM 1079 CA ASN A 155 -3.331 8.991 6.794 1.00 0.47 C ATOM 1080 C ASN A 155 -2.476 7.735 6.584 1.00 0.37 C ATOM 1081 O ASN A 155 -2.803 6.895 5.766 1.00 0.34 O ATOM 1082 CB ASN A 155 -3.228 9.906 5.571 1.00 0.51 C ATOM 1083 CG ASN A 155 -4.538 10.679 5.378 1.00 0.76 C ATOM 1084 OD1 ASN A 155 -4.939 10.939 4.261 1.00 1.37 O ATOM 1085 ND2 ASN A 155 -5.224 11.064 6.419 1.00 1.03 N ATOM 0 H ASN A 155 -2.316 10.649 7.679 1.00 0.57 H new ATOM 0 HA ASN A 155 -4.353 8.656 6.971 1.00 0.47 H new ATOM 0 HB2 ASN A 155 -2.400 10.604 5.698 1.00 0.51 H new ATOM 0 HB3 ASN A 155 -3.012 9.314 4.682 1.00 0.51 H new ATOM 0 HD21 ASN A 155 -6.094 11.582 6.294 1.00 1.03 H new ATOM 0 HD22 ASN A 155 -4.890 10.847 7.358 1.00 1.03 H new ATOM 1092 N ALA A 156 -1.402 7.578 7.330 1.00 0.37 N ATOM 1093 CA ALA A 156 -0.565 6.352 7.173 1.00 0.33 C ATOM 1094 C ALA A 156 -1.332 5.136 7.703 1.00 0.28 C ATOM 1095 O ALA A 156 -0.920 4.009 7.505 1.00 0.28 O ATOM 1096 CB ALA A 156 0.680 6.581 8.037 1.00 0.41 C ATOM 0 H ALA A 156 -1.076 8.242 8.032 1.00 0.37 H new ATOM 0 HA ALA A 156 -0.309 6.170 6.129 1.00 0.33 H new ATOM 0 HB1 ALA A 156 1.337 5.714 7.965 1.00 0.41 H new ATOM 0 HB2 ALA A 156 1.208 7.467 7.686 1.00 0.41 H new ATOM 0 HB3 ALA A 156 0.381 6.724 9.075 1.00 0.41 H new ATOM 1102 N SER A 157 -2.439 5.348 8.382 1.00 0.28 N ATOM 1103 CA SER A 157 -3.204 4.197 8.921 1.00 0.28 C ATOM 1104 C SER A 157 -4.168 3.662 7.869 1.00 0.22 C ATOM 1105 O SER A 157 -4.315 4.213 6.781 1.00 0.21 O ATOM 1106 CB SER A 157 -3.973 4.747 10.118 1.00 0.34 C ATOM 1107 OG SER A 157 -4.593 5.974 9.756 1.00 1.05 O ATOM 0 H SER A 157 -2.836 6.267 8.580 1.00 0.28 H new ATOM 0 HA SER A 157 -2.551 3.371 9.204 1.00 0.28 H new ATOM 0 HB2 SER A 157 -4.725 4.028 10.443 1.00 0.34 H new ATOM 0 HB3 SER A 157 -3.297 4.902 10.959 1.00 0.34 H new ATOM 0 HG SER A 157 -4.013 6.721 10.012 1.00 1.05 H new ATOM 1113 N VAL A 158 -4.810 2.575 8.183 1.00 0.23 N ATOM 1114 CA VAL A 158 -5.753 1.967 7.214 1.00 0.22 C ATOM 1115 C VAL A 158 -6.873 2.941 6.859 1.00 0.18 C ATOM 1116 O VAL A 158 -7.175 3.105 5.707 1.00 0.18 O ATOM 1117 CB VAL A 158 -6.309 0.716 7.892 1.00 0.28 C ATOM 1118 CG1 VAL A 158 -5.164 -0.252 8.186 1.00 0.34 C ATOM 1119 CG2 VAL A 158 -7.013 1.080 9.203 1.00 0.27 C ATOM 0 H VAL A 158 -4.721 2.082 9.071 1.00 0.23 H new ATOM 0 HA VAL A 158 -5.253 1.719 6.278 1.00 0.22 H new ATOM 0 HB VAL A 158 -7.032 0.248 7.224 1.00 0.28 H new ATOM 0 HG11 VAL A 158 -5.558 -1.146 8.670 1.00 0.34 H new ATOM 0 HG12 VAL A 158 -4.674 -0.531 7.253 1.00 0.34 H new ATOM 0 HG13 VAL A 158 -4.441 0.229 8.845 1.00 0.34 H new ATOM 0 HG21 VAL A 158 -7.402 0.175 9.670 1.00 0.27 H new ATOM 0 HG22 VAL A 158 -6.303 1.560 9.876 1.00 0.27 H new ATOM 0 HG23 VAL A 158 -7.836 1.764 8.996 1.00 0.27 H new ATOM 1129 N ALA A 159 -7.476 3.606 7.829 1.00 0.15 N ATOM 1130 CA ALA A 159 -8.587 4.582 7.526 1.00 0.13 C ATOM 1131 C ALA A 159 -8.237 5.454 6.321 1.00 0.13 C ATOM 1132 O ALA A 159 -9.093 5.808 5.527 1.00 0.15 O ATOM 1133 CB ALA A 159 -8.728 5.438 8.784 1.00 0.12 C ATOM 0 H ALA A 159 -7.246 3.514 8.818 1.00 0.15 H new ATOM 0 HA ALA A 159 -9.515 4.067 7.276 1.00 0.13 H new ATOM 0 HB1 ALA A 159 -9.520 6.173 8.637 1.00 0.12 H new ATOM 0 HB2 ALA A 159 -8.977 4.800 9.632 1.00 0.12 H new ATOM 0 HB3 ALA A 159 -7.788 5.953 8.981 1.00 0.12 H new ATOM 1139 N GLY A 160 -6.977 5.749 6.155 1.00 0.13 N ATOM 1140 CA GLY A 160 -6.562 6.548 4.975 1.00 0.15 C ATOM 1141 C GLY A 160 -6.631 5.668 3.736 1.00 0.16 C ATOM 1142 O GLY A 160 -7.416 5.910 2.837 1.00 0.18 O ATOM 0 H GLY A 160 -6.223 5.472 6.783 1.00 0.13 H new ATOM 0 HA2 GLY A 160 -7.213 7.415 4.859 1.00 0.15 H new ATOM 0 HA3 GLY A 160 -5.549 6.926 5.113 1.00 0.15 H new ATOM 1146 N LEU A 161 -5.805 4.654 3.672 1.00 0.16 N ATOM 1147 CA LEU A 161 -5.815 3.764 2.472 1.00 0.18 C ATOM 1148 C LEU A 161 -7.176 3.058 2.275 1.00 0.20 C ATOM 1149 O LEU A 161 -7.670 2.986 1.165 1.00 0.28 O ATOM 1150 CB LEU A 161 -4.717 2.735 2.720 1.00 0.19 C ATOM 1151 CG LEU A 161 -4.608 1.827 1.495 1.00 0.22 C ATOM 1152 CD1 LEU A 161 -3.989 2.600 0.322 1.00 0.23 C ATOM 1153 CD2 LEU A 161 -3.749 0.608 1.848 1.00 0.27 C ATOM 0 H LEU A 161 -5.129 4.405 4.394 1.00 0.16 H new ATOM 0 HA LEU A 161 -5.648 4.344 1.564 1.00 0.18 H new ATOM 0 HB2 LEU A 161 -3.766 3.235 2.905 1.00 0.19 H new ATOM 0 HB3 LEU A 161 -4.946 2.145 3.608 1.00 0.19 H new ATOM 0 HG LEU A 161 -5.601 1.491 1.197 1.00 0.22 H new ATOM 0 HD11 LEU A 161 -3.915 1.945 -0.546 1.00 0.23 H new ATOM 0 HD12 LEU A 161 -4.618 3.456 0.078 1.00 0.23 H new ATOM 0 HD13 LEU A 161 -2.994 2.948 0.600 1.00 0.23 H new ATOM 0 HD21 LEU A 161 -3.667 -0.044 0.978 1.00 0.27 H new ATOM 0 HD22 LEU A 161 -2.755 0.938 2.149 1.00 0.27 H new ATOM 0 HD23 LEU A 161 -4.213 0.061 2.669 1.00 0.27 H new ATOM 1165 N VAL A 162 -7.775 2.510 3.317 1.00 0.22 N ATOM 1166 CA VAL A 162 -9.078 1.789 3.131 1.00 0.26 C ATOM 1167 C VAL A 162 -10.119 2.732 2.554 1.00 0.29 C ATOM 1168 O VAL A 162 -10.878 2.366 1.675 1.00 0.34 O ATOM 1169 CB VAL A 162 -9.506 1.260 4.509 1.00 0.30 C ATOM 1170 CG1 VAL A 162 -8.403 0.367 5.076 1.00 0.30 C ATOM 1171 CG2 VAL A 162 -9.800 2.402 5.493 1.00 0.31 C ATOM 0 H VAL A 162 -7.421 2.532 4.273 1.00 0.22 H new ATOM 0 HA VAL A 162 -8.973 0.961 2.430 1.00 0.26 H new ATOM 0 HB VAL A 162 -10.425 0.688 4.378 1.00 0.30 H new ATOM 0 HG11 VAL A 162 -8.706 -0.009 6.053 1.00 0.30 H new ATOM 0 HG12 VAL A 162 -8.232 -0.472 4.402 1.00 0.30 H new ATOM 0 HG13 VAL A 162 -7.484 0.944 5.178 1.00 0.30 H new ATOM 0 HG21 VAL A 162 -10.099 1.986 6.455 1.00 0.31 H new ATOM 0 HG22 VAL A 162 -8.904 3.010 5.623 1.00 0.31 H new ATOM 0 HG23 VAL A 162 -10.605 3.023 5.100 1.00 0.31 H new ATOM 1181 N LYS A 163 -10.137 3.951 3.010 1.00 0.29 N ATOM 1182 CA LYS A 163 -11.107 4.934 2.450 1.00 0.34 C ATOM 1183 C LYS A 163 -10.835 5.112 0.952 1.00 0.36 C ATOM 1184 O LYS A 163 -11.722 5.024 0.130 1.00 0.39 O ATOM 1185 CB LYS A 163 -10.860 6.237 3.214 1.00 0.33 C ATOM 1186 CG LYS A 163 -11.874 7.289 2.763 1.00 0.39 C ATOM 1187 CD LYS A 163 -11.687 8.567 3.581 1.00 1.30 C ATOM 1188 CE LYS A 163 -12.740 9.596 3.164 1.00 1.51 C ATOM 1189 NZ LYS A 163 -12.100 10.378 2.071 1.00 2.30 N ATOM 0 H LYS A 163 -9.525 4.310 3.743 1.00 0.29 H new ATOM 0 HA LYS A 163 -12.143 4.612 2.557 1.00 0.34 H new ATOM 0 HB2 LYS A 163 -10.950 6.065 4.287 1.00 0.33 H new ATOM 0 HB3 LYS A 163 -9.846 6.592 3.032 1.00 0.33 H new ATOM 0 HG2 LYS A 163 -11.744 7.502 1.702 1.00 0.39 H new ATOM 0 HG3 LYS A 163 -12.888 6.909 2.890 1.00 0.39 H new ATOM 0 HD2 LYS A 163 -11.778 8.348 4.645 1.00 1.30 H new ATOM 0 HD3 LYS A 163 -10.687 8.970 3.423 1.00 1.30 H new ATOM 0 HE2 LYS A 163 -13.653 9.110 2.820 1.00 1.51 H new ATOM 0 HE3 LYS A 163 -13.017 10.239 4.000 1.00 1.51 H new ATOM 0 HZ1 LYS A 163 -12.761 11.105 1.731 1.00 2.30 H new ATOM 0 HZ2 LYS A 163 -11.237 10.835 2.430 1.00 2.30 H new ATOM 0 HZ3 LYS A 163 -11.854 9.741 1.287 1.00 2.30 H new ATOM 1203 N ALA A 164 -9.598 5.352 0.606 1.00 0.36 N ATOM 1204 CA ALA A 164 -9.229 5.534 -0.831 1.00 0.39 C ATOM 1205 C ALA A 164 -9.402 4.237 -1.637 1.00 0.39 C ATOM 1206 O ALA A 164 -10.064 4.219 -2.657 1.00 0.33 O ATOM 1207 CB ALA A 164 -7.758 5.958 -0.818 1.00 0.44 C ATOM 0 H ALA A 164 -8.821 5.431 1.262 1.00 0.36 H new ATOM 0 HA ALA A 164 -9.874 6.272 -1.308 1.00 0.39 H new ATOM 0 HB1 ALA A 164 -7.414 6.111 -1.841 1.00 0.44 H new ATOM 0 HB2 ALA A 164 -7.652 6.886 -0.257 1.00 0.44 H new ATOM 0 HB3 ALA A 164 -7.159 5.179 -0.347 1.00 0.44 H new ATOM 1213 N LEU A 165 -8.766 3.168 -1.215 1.00 0.50 N ATOM 1214 CA LEU A 165 -8.844 1.887 -1.989 1.00 0.55 C ATOM 1215 C LEU A 165 -10.284 1.349 -2.134 1.00 0.45 C ATOM 1216 O LEU A 165 -10.678 0.947 -3.214 1.00 0.42 O ATOM 1217 CB LEU A 165 -7.901 0.892 -1.260 1.00 0.80 C ATOM 1218 CG LEU A 165 -8.492 0.387 0.071 1.00 0.52 C ATOM 1219 CD1 LEU A 165 -9.484 -0.757 -0.181 1.00 1.47 C ATOM 1220 CD2 LEU A 165 -7.354 -0.134 0.968 1.00 1.24 C ATOM 0 H LEU A 165 -8.197 3.128 -0.369 1.00 0.50 H new ATOM 0 HA LEU A 165 -8.528 2.043 -3.021 1.00 0.55 H new ATOM 0 HB2 LEU A 165 -7.702 0.041 -1.912 1.00 0.80 H new ATOM 0 HB3 LEU A 165 -6.944 1.377 -1.068 1.00 0.80 H new ATOM 0 HG LEU A 165 -9.012 1.212 0.557 1.00 0.52 H new ATOM 0 HD11 LEU A 165 -9.891 -1.101 0.770 1.00 1.47 H new ATOM 0 HD12 LEU A 165 -10.295 -0.402 -0.816 1.00 1.47 H new ATOM 0 HD13 LEU A 165 -8.971 -1.582 -0.676 1.00 1.47 H new ATOM 0 HD21 LEU A 165 -7.768 -0.492 1.910 1.00 1.24 H new ATOM 0 HD22 LEU A 165 -6.839 -0.952 0.464 1.00 1.24 H new ATOM 0 HD23 LEU A 165 -6.648 0.673 1.165 1.00 1.24 H new ATOM 1232 N ARG A 166 -11.062 1.301 -1.081 1.00 0.47 N ATOM 1233 CA ARG A 166 -12.450 0.743 -1.205 1.00 0.45 C ATOM 1234 C ARG A 166 -13.374 1.682 -1.986 1.00 0.41 C ATOM 1235 O ARG A 166 -14.147 1.245 -2.819 1.00 0.52 O ATOM 1236 CB ARG A 166 -12.934 0.546 0.238 1.00 0.52 C ATOM 1237 CG ARG A 166 -14.365 -0.005 0.243 1.00 1.19 C ATOM 1238 CD ARG A 166 -14.835 -0.196 1.688 1.00 1.53 C ATOM 1239 NE ARG A 166 -14.870 1.177 2.263 1.00 2.29 N ATOM 1240 CZ ARG A 166 -15.965 1.885 2.197 1.00 2.88 C ATOM 1241 NH1 ARG A 166 -16.906 1.714 3.085 1.00 3.60 N ATOM 1242 NH2 ARG A 166 -16.118 2.763 1.244 1.00 3.25 N ATOM 0 H ARG A 166 -10.802 1.620 -0.148 1.00 0.47 H new ATOM 0 HA ARG A 166 -12.457 -0.192 -1.765 1.00 0.45 H new ATOM 0 HB2 ARG A 166 -12.270 -0.141 0.762 1.00 0.52 H new ATOM 0 HB3 ARG A 166 -12.899 1.494 0.774 1.00 0.52 H new ATOM 0 HG2 ARG A 166 -15.032 0.681 -0.280 1.00 1.19 H new ATOM 0 HG3 ARG A 166 -14.402 -0.955 -0.291 1.00 1.19 H new ATOM 0 HD2 ARG A 166 -15.818 -0.665 1.725 1.00 1.53 H new ATOM 0 HD3 ARG A 166 -14.153 -0.840 2.244 1.00 1.53 H new ATOM 0 HE ARG A 166 -14.038 1.565 2.709 1.00 2.29 H new ATOM 0 HH11 ARG A 166 -16.786 1.028 3.830 1.00 3.60 H new ATOM 0 HH12 ARG A 166 -17.762 2.267 3.034 1.00 3.60 H new ATOM 0 HH21 ARG A 166 -15.382 2.896 0.550 1.00 3.25 H new ATOM 0 HH22 ARG A 166 -16.974 3.316 1.193 1.00 3.25 H new ATOM 1256 N THR A 167 -13.309 2.957 -1.721 1.00 0.33 N ATOM 1257 CA THR A 167 -14.195 3.920 -2.447 1.00 0.36 C ATOM 1258 C THR A 167 -13.930 3.859 -3.950 1.00 0.35 C ATOM 1259 O THR A 167 -14.841 3.946 -4.753 1.00 0.41 O ATOM 1260 CB THR A 167 -13.830 5.299 -1.896 1.00 0.42 C ATOM 1261 OG1 THR A 167 -14.068 5.323 -0.496 1.00 0.44 O ATOM 1262 CG2 THR A 167 -14.683 6.379 -2.570 1.00 0.47 C ATOM 0 H THR A 167 -12.683 3.377 -1.034 1.00 0.33 H new ATOM 0 HA THR A 167 -15.251 3.691 -2.301 1.00 0.36 H new ATOM 0 HB THR A 167 -12.777 5.496 -2.099 1.00 0.42 H new ATOM 0 HG1 THR A 167 -13.255 5.610 -0.031 1.00 0.44 H new ATOM 0 HG21 THR A 167 -14.415 7.357 -2.170 1.00 0.47 H new ATOM 0 HG22 THR A 167 -14.504 6.365 -3.645 1.00 0.47 H new ATOM 0 HG23 THR A 167 -15.738 6.184 -2.375 1.00 0.47 H new ATOM 1270 N CYS A 168 -12.687 3.742 -4.332 1.00 0.32 N ATOM 1271 CA CYS A 168 -12.354 3.712 -5.784 1.00 0.36 C ATOM 1272 C CYS A 168 -12.667 2.352 -6.417 1.00 0.31 C ATOM 1273 O CYS A 168 -13.348 2.289 -7.422 1.00 0.34 O ATOM 1274 CB CYS A 168 -10.851 3.988 -5.848 1.00 0.40 C ATOM 1275 SG CYS A 168 -10.531 5.708 -5.384 1.00 1.38 S ATOM 0 H CYS A 168 -11.889 3.666 -3.702 1.00 0.32 H new ATOM 0 HA CYS A 168 -12.944 4.443 -6.337 1.00 0.36 H new ATOM 0 HB2 CYS A 168 -10.318 3.314 -5.177 1.00 0.40 H new ATOM 0 HB3 CYS A 168 -10.478 3.796 -6.854 1.00 0.40 H new ATOM 0 HG CYS A 168 -10.205 5.765 -4.127 1.00 1.38 H new ATOM 1281 N ARG A 169 -12.179 1.259 -5.856 1.00 0.30 N ATOM 1282 CA ARG A 169 -12.470 -0.102 -6.476 1.00 0.31 C ATOM 1283 C ARG A 169 -11.766 -1.269 -5.762 1.00 0.26 C ATOM 1284 O ARG A 169 -12.072 -2.420 -6.018 1.00 0.34 O ATOM 1285 CB ARG A 169 -11.978 -0.019 -7.937 1.00 0.44 C ATOM 1286 CG ARG A 169 -13.170 -0.157 -8.889 1.00 0.69 C ATOM 1287 CD ARG A 169 -12.746 0.231 -10.308 1.00 0.84 C ATOM 1288 NE ARG A 169 -13.945 -0.035 -11.152 1.00 1.56 N ATOM 1289 CZ ARG A 169 -14.697 0.956 -11.555 1.00 2.15 C ATOM 1290 NH1 ARG A 169 -14.970 1.944 -10.746 1.00 2.74 N ATOM 1291 NH2 ARG A 169 -15.176 0.958 -12.769 1.00 2.73 N ATOM 0 H ARG A 169 -11.603 1.241 -5.014 1.00 0.30 H new ATOM 0 HA ARG A 169 -13.537 -0.310 -6.393 1.00 0.31 H new ATOM 0 HB2 ARG A 169 -11.472 0.931 -8.107 1.00 0.44 H new ATOM 0 HB3 ARG A 169 -11.251 -0.807 -8.132 1.00 0.44 H new ATOM 0 HG2 ARG A 169 -13.540 -1.182 -8.877 1.00 0.69 H new ATOM 0 HG3 ARG A 169 -13.989 0.481 -8.557 1.00 0.69 H new ATOM 0 HD2 ARG A 169 -12.451 1.279 -10.360 1.00 0.84 H new ATOM 0 HD3 ARG A 169 -11.891 -0.358 -10.640 1.00 0.84 H new ATOM 0 HE ARG A 169 -14.180 -0.992 -11.416 1.00 1.56 H new ATOM 0 HH11 ARG A 169 -14.596 1.944 -9.797 1.00 2.74 H new ATOM 0 HH12 ARG A 169 -15.557 2.716 -11.063 1.00 2.74 H new ATOM 0 HH21 ARG A 169 -14.964 0.187 -13.402 1.00 2.73 H new ATOM 0 HH22 ARG A 169 -15.763 1.730 -13.084 1.00 2.73 H new ATOM 1305 N LEU A 170 -10.810 -1.000 -4.922 1.00 0.20 N ATOM 1306 CA LEU A 170 -10.060 -2.105 -4.248 1.00 0.17 C ATOM 1307 C LEU A 170 -10.870 -2.721 -3.098 1.00 0.19 C ATOM 1308 O LEU A 170 -10.443 -2.752 -1.964 1.00 0.23 O ATOM 1309 CB LEU A 170 -8.790 -1.426 -3.727 1.00 0.18 C ATOM 1310 CG LEU A 170 -7.951 -0.915 -4.909 1.00 0.21 C ATOM 1311 CD1 LEU A 170 -7.989 0.618 -4.965 1.00 0.26 C ATOM 1312 CD2 LEU A 170 -6.501 -1.358 -4.722 1.00 0.25 C ATOM 0 H LEU A 170 -10.510 -0.059 -4.668 1.00 0.20 H new ATOM 0 HA LEU A 170 -9.848 -2.933 -4.925 1.00 0.17 H new ATOM 0 HB2 LEU A 170 -9.053 -0.597 -3.070 1.00 0.18 H new ATOM 0 HB3 LEU A 170 -8.207 -2.130 -3.133 1.00 0.18 H new ATOM 0 HG LEU A 170 -8.360 -1.322 -5.834 1.00 0.21 H new ATOM 0 HD11 LEU A 170 -7.391 0.966 -5.807 1.00 0.26 H new ATOM 0 HD12 LEU A 170 -9.019 0.952 -5.089 1.00 0.26 H new ATOM 0 HD13 LEU A 170 -7.584 1.026 -4.039 1.00 0.26 H new ATOM 0 HD21 LEU A 170 -5.900 -0.999 -5.557 1.00 0.25 H new ATOM 0 HD22 LEU A 170 -6.112 -0.946 -3.791 1.00 0.25 H new ATOM 0 HD23 LEU A 170 -6.455 -2.446 -4.684 1.00 0.25 H new ATOM 1324 N ASN A 171 -12.034 -3.224 -3.394 1.00 0.24 N ATOM 1325 CA ASN A 171 -12.885 -3.854 -2.337 1.00 0.30 C ATOM 1326 C ASN A 171 -12.145 -5.022 -1.666 1.00 0.24 C ATOM 1327 O ASN A 171 -12.349 -5.311 -0.502 1.00 0.25 O ATOM 1328 CB ASN A 171 -14.111 -4.374 -3.085 1.00 0.40 C ATOM 1329 CG ASN A 171 -15.325 -4.310 -2.167 1.00 0.50 C ATOM 1330 OD1 ASN A 171 -15.837 -5.323 -1.733 1.00 0.58 O ATOM 1331 ND2 ASN A 171 -15.807 -3.142 -1.853 1.00 0.59 N ATOM 0 H ASN A 171 -12.440 -3.228 -4.330 1.00 0.24 H new ATOM 0 HA ASN A 171 -13.142 -3.148 -1.547 1.00 0.30 H new ATOM 0 HB2 ASN A 171 -14.286 -3.777 -3.980 1.00 0.40 H new ATOM 0 HB3 ASN A 171 -13.943 -5.400 -3.414 1.00 0.40 H new ATOM 0 HD21 ASN A 171 -16.619 -3.074 -1.239 1.00 0.59 H new ATOM 0 HD22 ASN A 171 -15.373 -2.295 -2.221 1.00 0.59 H new ATOM 1338 N LEU A 172 -11.317 -5.713 -2.408 1.00 0.21 N ATOM 1339 CA LEU A 172 -10.583 -6.897 -1.840 1.00 0.21 C ATOM 1340 C LEU A 172 -9.801 -6.533 -0.572 1.00 0.17 C ATOM 1341 O LEU A 172 -10.040 -7.076 0.496 1.00 0.21 O ATOM 1342 CB LEU A 172 -9.596 -7.296 -2.941 1.00 0.23 C ATOM 1343 CG LEU A 172 -10.355 -7.892 -4.126 1.00 0.32 C ATOM 1344 CD1 LEU A 172 -9.398 -8.052 -5.307 1.00 1.13 C ATOM 1345 CD2 LEU A 172 -10.911 -9.266 -3.740 1.00 0.85 C ATOM 0 H LEU A 172 -11.114 -5.511 -3.387 1.00 0.21 H new ATOM 0 HA LEU A 172 -11.276 -7.691 -1.560 1.00 0.21 H new ATOM 0 HB2 LEU A 172 -9.026 -6.425 -3.264 1.00 0.23 H new ATOM 0 HB3 LEU A 172 -8.880 -8.021 -2.555 1.00 0.23 H new ATOM 0 HG LEU A 172 -11.176 -7.231 -4.401 1.00 0.32 H new ATOM 0 HD11 LEU A 172 -9.935 -8.477 -6.155 1.00 1.13 H new ATOM 0 HD12 LEU A 172 -8.995 -7.078 -5.584 1.00 1.13 H new ATOM 0 HD13 LEU A 172 -8.580 -8.716 -5.026 1.00 1.13 H new ATOM 0 HD21 LEU A 172 -11.452 -9.690 -4.586 1.00 0.85 H new ATOM 0 HD22 LEU A 172 -10.089 -9.927 -3.467 1.00 0.85 H new ATOM 0 HD23 LEU A 172 -11.588 -9.159 -2.893 1.00 0.85 H new ATOM 1357 N VAL A 173 -8.872 -5.622 -0.683 1.00 0.16 N ATOM 1358 CA VAL A 173 -8.064 -5.227 0.512 1.00 0.21 C ATOM 1359 C VAL A 173 -8.952 -4.554 1.553 1.00 0.22 C ATOM 1360 O VAL A 173 -8.731 -4.684 2.742 1.00 0.25 O ATOM 1361 CB VAL A 173 -6.968 -4.287 0.004 1.00 0.29 C ATOM 1362 CG1 VAL A 173 -5.974 -5.106 -0.813 1.00 0.38 C ATOM 1363 CG2 VAL A 173 -7.547 -3.167 -0.874 1.00 0.34 C ATOM 0 H VAL A 173 -8.636 -5.134 -1.547 1.00 0.16 H new ATOM 0 HA VAL A 173 -7.619 -6.093 1.002 1.00 0.21 H new ATOM 0 HB VAL A 173 -6.481 -3.821 0.860 1.00 0.29 H new ATOM 0 HG11 VAL A 173 -5.184 -4.454 -1.185 1.00 0.38 H new ATOM 0 HG12 VAL A 173 -5.538 -5.882 -0.184 1.00 0.38 H new ATOM 0 HG13 VAL A 173 -6.489 -5.568 -1.655 1.00 0.38 H new ATOM 0 HG21 VAL A 173 -6.740 -2.519 -1.217 1.00 0.34 H new ATOM 0 HG22 VAL A 173 -8.052 -3.604 -1.735 1.00 0.34 H new ATOM 0 HG23 VAL A 173 -8.260 -2.582 -0.294 1.00 0.34 H new ATOM 1373 N ALA A 174 -9.974 -3.864 1.118 1.00 0.27 N ATOM 1374 CA ALA A 174 -10.908 -3.208 2.091 1.00 0.34 C ATOM 1375 C ALA A 174 -11.522 -4.278 2.998 1.00 0.29 C ATOM 1376 O ALA A 174 -11.612 -4.123 4.200 1.00 0.32 O ATOM 1377 CB ALA A 174 -11.994 -2.571 1.229 1.00 0.43 C ATOM 0 H ALA A 174 -10.205 -3.725 0.134 1.00 0.27 H new ATOM 0 HA ALA A 174 -10.408 -2.475 2.725 1.00 0.34 H new ATOM 0 HB1 ALA A 174 -12.719 -2.069 1.870 1.00 0.43 H new ATOM 0 HB2 ALA A 174 -11.543 -1.845 0.553 1.00 0.43 H new ATOM 0 HB3 ALA A 174 -12.497 -3.344 0.648 1.00 0.43 H new ATOM 1383 N ASP A 175 -11.934 -5.369 2.415 1.00 0.24 N ATOM 1384 CA ASP A 175 -12.526 -6.481 3.211 1.00 0.23 C ATOM 1385 C ASP A 175 -11.514 -7.000 4.236 1.00 0.17 C ATOM 1386 O ASP A 175 -11.870 -7.362 5.342 1.00 0.20 O ATOM 1387 CB ASP A 175 -12.880 -7.568 2.189 1.00 0.27 C ATOM 1388 CG ASP A 175 -14.060 -7.103 1.326 1.00 0.37 C ATOM 1389 OD1 ASP A 175 -14.852 -6.309 1.810 1.00 0.99 O ATOM 1390 OD2 ASP A 175 -14.154 -7.554 0.196 1.00 0.80 O ATOM 0 H ASP A 175 -11.885 -5.540 1.411 1.00 0.24 H new ATOM 0 HA ASP A 175 -13.403 -6.161 3.774 1.00 0.23 H new ATOM 0 HB2 ASP A 175 -12.017 -7.782 1.558 1.00 0.27 H new ATOM 0 HB3 ASP A 175 -13.136 -8.494 2.703 1.00 0.27 H new ATOM 1395 N LEU A 176 -10.260 -7.066 3.864 1.00 0.14 N ATOM 1396 CA LEU A 176 -9.224 -7.600 4.821 1.00 0.20 C ATOM 1397 C LEU A 176 -9.125 -6.705 6.052 1.00 0.25 C ATOM 1398 O LEU A 176 -9.350 -7.136 7.168 1.00 0.27 O ATOM 1399 CB LEU A 176 -7.857 -7.577 4.102 1.00 0.28 C ATOM 1400 CG LEU A 176 -7.951 -8.069 2.652 1.00 0.49 C ATOM 1401 CD1 LEU A 176 -6.559 -8.097 2.035 1.00 1.33 C ATOM 1402 CD2 LEU A 176 -8.575 -9.465 2.605 1.00 1.09 C ATOM 0 H LEU A 176 -9.905 -6.779 2.952 1.00 0.14 H new ATOM 0 HA LEU A 176 -9.501 -8.608 5.130 1.00 0.20 H new ATOM 0 HB2 LEU A 176 -7.461 -6.562 4.113 1.00 0.28 H new ATOM 0 HB3 LEU A 176 -7.151 -8.201 4.650 1.00 0.28 H new ATOM 0 HG LEU A 176 -8.584 -7.388 2.084 1.00 0.49 H new ATOM 0 HD11 LEU A 176 -6.625 -8.446 1.005 1.00 1.33 H new ATOM 0 HD12 LEU A 176 -6.133 -7.094 2.051 1.00 1.33 H new ATOM 0 HD13 LEU A 176 -5.921 -8.771 2.607 1.00 1.33 H new ATOM 0 HD21 LEU A 176 -8.636 -9.802 1.570 1.00 1.09 H new ATOM 0 HD22 LEU A 176 -7.958 -10.159 3.177 1.00 1.09 H new ATOM 0 HD23 LEU A 176 -9.576 -9.431 3.035 1.00 1.09 H new ATOM 1414 N VAL A 177 -8.785 -5.459 5.851 1.00 0.33 N ATOM 1415 CA VAL A 177 -8.662 -4.519 7.002 1.00 0.41 C ATOM 1416 C VAL A 177 -10.016 -4.383 7.701 1.00 0.37 C ATOM 1417 O VAL A 177 -10.095 -4.352 8.915 1.00 0.39 O ATOM 1418 CB VAL A 177 -8.197 -3.183 6.402 1.00 0.52 C ATOM 1419 CG1 VAL A 177 -6.827 -3.374 5.746 1.00 0.58 C ATOM 1420 CG2 VAL A 177 -9.193 -2.693 5.347 1.00 0.52 C ATOM 0 H VAL A 177 -8.587 -5.052 4.937 1.00 0.33 H new ATOM 0 HA VAL A 177 -7.954 -4.868 7.753 1.00 0.41 H new ATOM 0 HB VAL A 177 -8.133 -2.443 7.200 1.00 0.52 H new ATOM 0 HG11 VAL A 177 -6.493 -2.428 5.319 1.00 0.58 H new ATOM 0 HG12 VAL A 177 -6.108 -3.708 6.495 1.00 0.58 H new ATOM 0 HG13 VAL A 177 -6.903 -4.122 4.957 1.00 0.58 H new ATOM 0 HG21 VAL A 177 -8.848 -1.746 4.933 1.00 0.52 H new ATOM 0 HG22 VAL A 177 -9.270 -3.431 4.549 1.00 0.52 H new ATOM 0 HG23 VAL A 177 -10.171 -2.553 5.807 1.00 0.52 H new ATOM 1430 N GLU A 178 -11.082 -4.329 6.942 1.00 0.36 N ATOM 1431 CA GLU A 178 -12.439 -4.226 7.559 1.00 0.39 C ATOM 1432 C GLU A 178 -12.710 -5.456 8.443 1.00 0.31 C ATOM 1433 O GLU A 178 -13.106 -5.335 9.587 1.00 0.34 O ATOM 1434 CB GLU A 178 -13.393 -4.181 6.359 1.00 0.45 C ATOM 1435 CG GLU A 178 -14.847 -4.320 6.816 1.00 0.51 C ATOM 1436 CD GLU A 178 -15.226 -3.141 7.716 1.00 1.32 C ATOM 1437 OE1 GLU A 178 -14.674 -2.069 7.524 1.00 1.85 O ATOM 1438 OE2 GLU A 178 -16.061 -3.330 8.585 1.00 1.85 O ATOM 0 H GLU A 178 -11.071 -4.352 5.922 1.00 0.36 H new ATOM 0 HA GLU A 178 -12.553 -3.355 8.204 1.00 0.39 H new ATOM 0 HB2 GLU A 178 -13.264 -3.242 5.821 1.00 0.45 H new ATOM 0 HB3 GLU A 178 -13.147 -4.983 5.663 1.00 0.45 H new ATOM 0 HG2 GLU A 178 -15.508 -4.354 5.950 1.00 0.51 H new ATOM 0 HG3 GLU A 178 -14.980 -5.258 7.356 1.00 0.51 H new ATOM 1445 N GLU A 179 -12.494 -6.632 7.911 1.00 0.25 N ATOM 1446 CA GLU A 179 -12.738 -7.879 8.702 1.00 0.24 C ATOM 1447 C GLU A 179 -11.846 -7.900 9.944 1.00 0.25 C ATOM 1448 O GLU A 179 -12.271 -8.289 11.016 1.00 0.39 O ATOM 1449 CB GLU A 179 -12.391 -9.029 7.752 1.00 0.31 C ATOM 1450 CG GLU A 179 -13.539 -9.228 6.754 1.00 1.03 C ATOM 1451 CD GLU A 179 -13.208 -10.368 5.779 1.00 1.32 C ATOM 1452 OE1 GLU A 179 -12.074 -10.824 5.776 1.00 1.76 O ATOM 1453 OE2 GLU A 179 -14.100 -10.766 5.047 1.00 1.92 O ATOM 0 H GLU A 179 -12.158 -6.784 6.960 1.00 0.25 H new ATOM 0 HA GLU A 179 -13.766 -7.951 9.058 1.00 0.24 H new ATOM 0 HB2 GLU A 179 -11.465 -8.809 7.220 1.00 0.31 H new ATOM 0 HB3 GLU A 179 -12.223 -9.945 8.318 1.00 0.31 H new ATOM 0 HG2 GLU A 179 -14.460 -9.455 7.290 1.00 1.03 H new ATOM 0 HG3 GLU A 179 -13.712 -8.305 6.200 1.00 1.03 H new ATOM 1460 N ALA A 180 -10.618 -7.474 9.808 1.00 0.26 N ATOM 1461 CA ALA A 180 -9.695 -7.455 10.983 1.00 0.38 C ATOM 1462 C ALA A 180 -10.171 -6.410 11.997 1.00 0.44 C ATOM 1463 O ALA A 180 -9.979 -6.557 13.190 1.00 0.60 O ATOM 1464 CB ALA A 180 -8.325 -7.075 10.417 1.00 0.50 C ATOM 0 H ALA A 180 -10.213 -7.138 8.934 1.00 0.26 H new ATOM 0 HA ALA A 180 -9.660 -8.414 11.500 1.00 0.38 H new ATOM 0 HB1 ALA A 180 -7.594 -7.041 11.225 1.00 0.50 H new ATOM 0 HB2 ALA A 180 -8.017 -7.817 9.680 1.00 0.50 H new ATOM 0 HB3 ALA A 180 -8.386 -6.096 9.942 1.00 0.50 H new ATOM 1470 N GLN A 181 -10.791 -5.357 11.526 1.00 0.48 N ATOM 1471 CA GLN A 181 -11.288 -4.291 12.453 1.00 0.70 C ATOM 1472 C GLN A 181 -12.555 -4.748 13.193 1.00 0.71 C ATOM 1473 O GLN A 181 -12.969 -4.134 14.158 1.00 1.08 O ATOM 1474 CB GLN A 181 -11.606 -3.096 11.551 1.00 1.25 C ATOM 1475 CG GLN A 181 -11.754 -1.835 12.405 1.00 1.59 C ATOM 1476 CD GLN A 181 -10.401 -1.130 12.514 1.00 2.23 C ATOM 1477 OE1 GLN A 181 -9.937 -0.846 13.600 1.00 2.65 O ATOM 1478 NE2 GLN A 181 -9.745 -0.832 11.426 1.00 2.46 N ATOM 0 H GLN A 181 -10.975 -5.188 10.537 1.00 0.48 H new ATOM 0 HA GLN A 181 -10.550 -4.050 13.219 1.00 0.70 H new ATOM 0 HB2 GLN A 181 -10.812 -2.960 10.817 1.00 1.25 H new ATOM 0 HB3 GLN A 181 -12.525 -3.281 10.995 1.00 1.25 H new ATOM 0 HG2 GLN A 181 -12.490 -1.166 11.959 1.00 1.59 H new ATOM 0 HG3 GLN A 181 -12.121 -2.096 13.398 1.00 1.59 H new ATOM 0 HE21 GLN A 181 -10.135 -1.071 10.514 1.00 2.46 H new ATOM 0 HE22 GLN A 181 -8.843 -0.361 11.488 1.00 2.46 H new ATOM 1487 N GLU A 182 -13.183 -5.813 12.744 1.00 0.74 N ATOM 1488 CA GLU A 182 -14.435 -6.306 13.409 1.00 1.33 C ATOM 1489 C GLU A 182 -15.460 -5.172 13.540 1.00 2.14 C ATOM 1490 O GLU A 182 -16.152 -5.060 14.533 1.00 2.63 O ATOM 1491 CB GLU A 182 -14.007 -6.797 14.795 1.00 1.79 C ATOM 1492 CG GLU A 182 -13.071 -8.003 14.649 1.00 2.06 C ATOM 1493 CD GLU A 182 -12.715 -8.573 16.032 1.00 2.67 C ATOM 1494 OE1 GLU A 182 -13.297 -8.134 17.013 1.00 2.49 O ATOM 1495 OE2 GLU A 182 -11.864 -9.445 16.084 1.00 3.67 O ATOM 0 H GLU A 182 -12.880 -6.364 11.941 1.00 0.74 H new ATOM 0 HA GLU A 182 -14.908 -7.098 12.828 1.00 1.33 H new ATOM 0 HB2 GLU A 182 -13.503 -5.996 15.336 1.00 1.79 H new ATOM 0 HB3 GLU A 182 -14.884 -7.074 15.380 1.00 1.79 H new ATOM 0 HG2 GLU A 182 -13.550 -8.772 14.043 1.00 2.06 H new ATOM 0 HG3 GLU A 182 -12.162 -7.705 14.126 1.00 2.06 H new ATOM 1502 N SER A 183 -15.562 -4.332 12.536 1.00 2.57 N ATOM 1503 CA SER A 183 -16.540 -3.195 12.577 1.00 3.70 C ATOM 1504 C SER A 183 -16.408 -2.399 13.884 1.00 4.04 C ATOM 1505 O SER A 183 -15.657 -1.438 13.895 1.00 4.36 O ATOM 1506 CB SER A 183 -17.918 -3.852 12.483 1.00 4.22 C ATOM 1507 OG SER A 183 -17.985 -4.631 11.296 1.00 4.75 O ATOM 1508 OXT SER A 183 -17.061 -2.765 14.848 1.00 4.26 O ATOM 0 H SER A 183 -15.005 -4.386 11.683 1.00 2.57 H new ATOM 0 HA SER A 183 -16.367 -2.485 11.768 1.00 3.70 H new ATOM 0 HB2 SER A 183 -18.094 -4.481 13.355 1.00 4.22 H new ATOM 0 HB3 SER A 183 -18.698 -3.090 12.477 1.00 4.22 H new ATOM 0 HG SER A 183 -18.866 -5.055 11.233 1.00 4.75 H new TER 1514 SER A 183