USER MOD reduce.3.24.130724 H: found=0, std=0, add=852, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 853 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 Single : A 3 LYS NZ :NH3+ -155:sc= -0.184 (180deg=-1.21) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.00872 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 43:sc= 0.794 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -150:sc= -0.177 (180deg=-1.09) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -129:sc= -0.863 (180deg=-2.26!) USER MOD Single : A 43 HIS : no HD1:sc= -0.606 K(o=-0.61,f=-0.045) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 117:sc= -0.515 USER MOD Single : A 48 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.202) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -2.93! K(o=-2.9!,f=-2.2) USER MOD Single : A 63 GLN : amide:sc= -4.49! K(o=-4.5!,f=-0.66) USER MOD Single : A 67 SER OG : rot 68:sc= 1 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.599 USER MOD Single : A 76 THR OG1 : rot -64:sc= -0.532 USER MOD Single : A 78 GLN : amide:sc= -3.58! C(o=-3.6!,f=-5.2!) USER MOD Single : A 81 LYS NZ :NH3+ -149:sc= 1.14 (180deg=-1.24) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= -3.24! K(o=-3.2!,f=-0.42) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 130:sc= 1.19 USER MOD Single : A 93 ASN : amide:sc= -2.84! K(o=-2.8!,f=-1.1) USER MOD Single : A 94 LYS NZ :NH3+ -149:sc= -0.58 (180deg=-1.7) USER MOD Single : A 96 LYS NZ :NH3+ -152:sc= -0.0817 (180deg=-0.609) USER MOD Single : A 100 THR OG1 : rot 73:sc= -0.251 USER MOD Single : A 102 ASN : amide:sc= -1.44 X(o=-1.4,f=-1!) USER MOD Single : B 5 TYR OH : rot 5:sc= -4.09! USER MOD Single : B 11 SER OG : rot -33:sc= 0.0537 USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 -3.900 -1.719 9.121 1.00 0.24 N ATOM 21 CA VAL A 2 -2.697 -1.715 8.235 1.00 0.19 C ATOM 22 C VAL A 2 -1.848 -2.961 8.510 1.00 0.22 C ATOM 23 O VAL A 2 -2.101 -3.704 9.437 1.00 0.28 O ATOM 24 CB VAL A 2 -1.872 -0.453 8.520 1.00 0.20 C ATOM 25 CG1 VAL A 2 -0.710 -0.343 7.520 1.00 0.18 C ATOM 26 CG2 VAL A 2 -2.781 0.777 8.394 1.00 0.30 C ATOM 0 HA VAL A 2 -3.009 -1.722 7.191 1.00 0.19 H new ATOM 0 HB VAL A 2 -1.461 -0.509 9.528 1.00 0.20 H new ATOM 0 HG11 VAL A 2 -0.132 0.556 7.732 1.00 0.18 H new ATOM 0 HG12 VAL A 2 -0.067 -1.218 7.612 1.00 0.18 H new ATOM 0 HG13 VAL A 2 -1.106 -0.289 6.506 1.00 0.18 H new ATOM 0 HG21 VAL A 2 -2.203 1.679 8.595 1.00 0.30 H new ATOM 0 HG22 VAL A 2 -3.190 0.825 7.385 1.00 0.30 H new ATOM 0 HG23 VAL A 2 -3.597 0.702 9.113 1.00 0.30 H new ATOM 36 N LYS A 3 -0.840 -3.194 7.708 1.00 0.18 N ATOM 37 CA LYS A 3 0.031 -4.389 7.915 1.00 0.22 C ATOM 38 C LYS A 3 1.419 -4.111 7.333 1.00 0.16 C ATOM 39 O LYS A 3 1.561 -3.764 6.178 1.00 0.13 O ATOM 40 CB LYS A 3 -0.577 -5.605 7.209 1.00 0.26 C ATOM 41 CG LYS A 3 0.100 -6.880 7.718 1.00 0.34 C ATOM 42 CD LYS A 3 -0.360 -8.072 6.876 1.00 0.81 C ATOM 43 CE LYS A 3 0.283 -9.353 7.412 1.00 1.37 C ATOM 44 NZ LYS A 3 -0.364 -10.534 6.776 1.00 1.97 N ATOM 0 H LYS A 3 -0.582 -2.605 6.916 1.00 0.18 H new ATOM 0 HA LYS A 3 0.111 -4.594 8.983 1.00 0.22 H new ATOM 0 HB2 LYS A 3 -1.650 -5.650 7.397 1.00 0.26 H new ATOM 0 HB3 LYS A 3 -0.446 -5.516 6.131 1.00 0.26 H new ATOM 0 HG2 LYS A 3 1.184 -6.777 7.661 1.00 0.34 H new ATOM 0 HG3 LYS A 3 -0.150 -7.044 8.766 1.00 0.34 H new ATOM 0 HD2 LYS A 3 -1.446 -8.156 6.909 1.00 0.81 H new ATOM 0 HD3 LYS A 3 -0.083 -7.922 5.832 1.00 0.81 H new ATOM 0 HE2 LYS A 3 1.352 -9.352 7.201 1.00 1.37 H new ATOM 0 HE3 LYS A 3 0.172 -9.403 8.495 1.00 1.37 H new ATOM 0 HZ1 LYS A 3 -0.262 -11.362 7.397 1.00 1.97 H new ATOM 0 HZ2 LYS A 3 -1.374 -10.337 6.624 1.00 1.97 H new ATOM 0 HZ3 LYS A 3 0.092 -10.729 5.862 1.00 1.97 H new ATOM 58 N GLN A 4 2.446 -4.258 8.128 1.00 0.18 N ATOM 59 CA GLN A 4 3.828 -4.001 7.627 1.00 0.15 C ATOM 60 C GLN A 4 4.408 -5.288 7.032 1.00 0.13 C ATOM 61 O GLN A 4 4.329 -6.350 7.615 1.00 0.14 O ATOM 62 CB GLN A 4 4.705 -3.519 8.792 1.00 0.20 C ATOM 63 CG GLN A 4 6.195 -3.625 8.425 1.00 0.21 C ATOM 64 CD GLN A 4 7.021 -2.708 9.332 1.00 0.27 C ATOM 65 OE1 GLN A 4 7.274 -3.033 10.475 1.00 0.81 O ATOM 66 NE2 GLN A 4 7.454 -1.569 8.866 1.00 0.98 N ATOM 0 H GLN A 4 2.387 -4.546 9.105 1.00 0.18 H new ATOM 0 HA GLN A 4 3.802 -3.235 6.852 1.00 0.15 H new ATOM 0 HB2 GLN A 4 4.458 -2.486 9.038 1.00 0.20 H new ATOM 0 HB3 GLN A 4 4.500 -4.116 9.680 1.00 0.20 H new ATOM 0 HG2 GLN A 4 6.532 -4.656 8.531 1.00 0.21 H new ATOM 0 HG3 GLN A 4 6.342 -3.347 7.381 1.00 0.21 H new ATOM 0 HE21 GLN A 4 7.241 -1.297 7.906 1.00 0.98 H new ATOM 0 HE22 GLN A 4 8.005 -0.951 9.461 1.00 0.98 H new ATOM 75 N ILE A 5 5.002 -5.184 5.874 1.00 0.10 N ATOM 76 CA ILE A 5 5.615 -6.373 5.209 1.00 0.10 C ATOM 77 C ILE A 5 7.135 -6.264 5.344 1.00 0.10 C ATOM 78 O ILE A 5 7.738 -5.344 4.830 1.00 0.11 O ATOM 79 CB ILE A 5 5.266 -6.352 3.720 1.00 0.11 C ATOM 80 CG1 ILE A 5 3.752 -6.121 3.490 1.00 0.12 C ATOM 81 CG2 ILE A 5 5.724 -7.652 3.053 1.00 0.13 C ATOM 82 CD1 ILE A 5 2.874 -7.012 4.387 1.00 0.19 C ATOM 0 H ILE A 5 5.090 -4.312 5.352 1.00 0.10 H new ATOM 0 HA ILE A 5 5.245 -7.290 5.667 1.00 0.10 H new ATOM 0 HB ILE A 5 5.794 -5.515 3.263 1.00 0.11 H new ATOM 0 HG12 ILE A 5 3.515 -5.074 3.681 1.00 0.12 H new ATOM 0 HG13 ILE A 5 3.513 -6.317 2.445 1.00 0.12 H new ATOM 0 HG21 ILE A 5 5.470 -7.626 1.993 1.00 0.13 H new ATOM 0 HG22 ILE A 5 6.803 -7.758 3.165 1.00 0.13 H new ATOM 0 HG23 ILE A 5 5.225 -8.498 3.525 1.00 0.13 H new ATOM 0 HD11 ILE A 5 1.823 -6.809 4.184 1.00 0.19 H new ATOM 0 HD12 ILE A 5 3.088 -8.060 4.179 1.00 0.19 H new ATOM 0 HD13 ILE A 5 3.089 -6.799 5.434 1.00 0.19 H new ATOM 94 N GLU A 6 7.761 -7.186 6.023 1.00 0.11 N ATOM 95 CA GLU A 6 9.246 -7.122 6.184 1.00 0.14 C ATOM 96 C GLU A 6 9.908 -8.123 5.230 1.00 0.14 C ATOM 97 O GLU A 6 11.098 -8.072 4.991 1.00 0.17 O ATOM 98 CB GLU A 6 9.615 -7.474 7.626 1.00 0.18 C ATOM 99 CG GLU A 6 8.647 -6.792 8.596 1.00 0.31 C ATOM 100 CD GLU A 6 7.309 -7.537 8.617 1.00 1.20 C ATOM 101 OE1 GLU A 6 7.289 -8.698 8.239 1.00 1.97 O ATOM 102 OE2 GLU A 6 6.324 -6.935 9.010 1.00 1.96 O ATOM 0 H GLU A 6 7.310 -7.982 6.474 1.00 0.11 H new ATOM 0 HA GLU A 6 9.594 -6.115 5.953 1.00 0.14 H new ATOM 0 HB2 GLU A 6 9.581 -8.555 7.765 1.00 0.18 H new ATOM 0 HB3 GLU A 6 10.637 -7.157 7.836 1.00 0.18 H new ATOM 0 HG2 GLU A 6 9.077 -6.773 9.597 1.00 0.31 H new ATOM 0 HG3 GLU A 6 8.490 -5.756 8.297 1.00 0.31 H new ATOM 109 N SER A 7 9.146 -9.035 4.686 1.00 0.13 N ATOM 110 CA SER A 7 9.735 -10.039 3.750 1.00 0.15 C ATOM 111 C SER A 7 8.667 -10.519 2.765 1.00 0.14 C ATOM 112 O SER A 7 7.483 -10.419 3.016 1.00 0.12 O ATOM 113 CB SER A 7 10.264 -11.228 4.549 1.00 0.20 C ATOM 114 OG SER A 7 9.296 -11.613 5.517 1.00 0.23 O ATOM 0 H SER A 7 8.143 -9.129 4.848 1.00 0.13 H new ATOM 0 HA SER A 7 10.553 -9.579 3.195 1.00 0.15 H new ATOM 0 HB2 SER A 7 10.479 -12.062 3.881 1.00 0.20 H new ATOM 0 HB3 SER A 7 11.200 -10.963 5.040 1.00 0.20 H new ATOM 0 HG SER A 7 9.632 -12.377 6.030 1.00 0.23 H new ATOM 120 N LYS A 8 9.084 -11.045 1.646 1.00 0.15 N ATOM 121 CA LYS A 8 8.106 -11.539 0.637 1.00 0.14 C ATOM 122 C LYS A 8 7.116 -12.498 1.304 1.00 0.14 C ATOM 123 O LYS A 8 5.998 -12.660 0.861 1.00 0.13 O ATOM 124 CB LYS A 8 8.859 -12.271 -0.479 1.00 0.17 C ATOM 125 CG LYS A 8 7.961 -12.395 -1.711 1.00 0.21 C ATOM 126 CD LYS A 8 8.616 -13.326 -2.732 1.00 0.22 C ATOM 127 CE LYS A 8 7.636 -13.599 -3.876 1.00 1.06 C ATOM 128 NZ LYS A 8 8.254 -14.550 -4.842 1.00 1.90 N ATOM 0 H LYS A 8 10.064 -11.154 1.387 1.00 0.15 H new ATOM 0 HA LYS A 8 7.558 -10.695 0.217 1.00 0.14 H new ATOM 0 HB2 LYS A 8 9.769 -11.728 -0.734 1.00 0.17 H new ATOM 0 HB3 LYS A 8 9.163 -13.260 -0.138 1.00 0.17 H new ATOM 0 HG2 LYS A 8 6.984 -12.784 -1.424 1.00 0.21 H new ATOM 0 HG3 LYS A 8 7.796 -11.413 -2.153 1.00 0.21 H new ATOM 0 HD2 LYS A 8 9.528 -12.873 -3.121 1.00 0.22 H new ATOM 0 HD3 LYS A 8 8.904 -14.262 -2.254 1.00 0.22 H new ATOM 0 HE2 LYS A 8 6.708 -14.015 -3.483 1.00 1.06 H new ATOM 0 HE3 LYS A 8 7.380 -12.667 -4.380 1.00 1.06 H new ATOM 0 HZ1 LYS A 8 7.589 -14.736 -5.620 1.00 1.90 H new ATOM 0 HZ2 LYS A 8 9.128 -14.137 -5.225 1.00 1.90 H new ATOM 0 HZ3 LYS A 8 8.477 -15.442 -4.356 1.00 1.90 H new ATOM 142 N THR A 9 7.523 -13.142 2.362 1.00 0.16 N ATOM 143 CA THR A 9 6.610 -14.097 3.052 1.00 0.18 C ATOM 144 C THR A 9 5.354 -13.366 3.534 1.00 0.16 C ATOM 145 O THR A 9 4.243 -13.810 3.317 1.00 0.17 O ATOM 146 CB THR A 9 7.334 -14.711 4.246 1.00 0.21 C ATOM 147 OG1 THR A 9 8.647 -15.092 3.859 1.00 0.24 O ATOM 148 CG2 THR A 9 6.568 -15.938 4.742 1.00 0.25 C ATOM 0 H THR A 9 8.449 -13.049 2.779 1.00 0.16 H new ATOM 0 HA THR A 9 6.317 -14.883 2.355 1.00 0.18 H new ATOM 0 HB THR A 9 7.391 -13.977 5.049 1.00 0.21 H new ATOM 0 HG1 THR A 9 9.113 -15.485 4.626 1.00 0.24 H new ATOM 0 HG21 THR A 9 7.090 -16.372 5.595 1.00 0.25 H new ATOM 0 HG22 THR A 9 5.563 -15.642 5.044 1.00 0.25 H new ATOM 0 HG23 THR A 9 6.504 -16.675 3.942 1.00 0.25 H new ATOM 156 N ALA A 10 5.523 -12.253 4.189 1.00 0.16 N ATOM 157 CA ALA A 10 4.343 -11.492 4.693 1.00 0.17 C ATOM 158 C ALA A 10 3.590 -10.868 3.518 1.00 0.15 C ATOM 159 O ALA A 10 2.410 -10.590 3.601 1.00 0.17 O ATOM 160 CB ALA A 10 4.818 -10.387 5.640 1.00 0.20 C ATOM 0 H ALA A 10 6.429 -11.835 4.399 1.00 0.16 H new ATOM 0 HA ALA A 10 3.677 -12.170 5.227 1.00 0.17 H new ATOM 0 HB1 ALA A 10 3.957 -9.830 6.009 1.00 0.20 H new ATOM 0 HB2 ALA A 10 5.350 -10.832 6.481 1.00 0.20 H new ATOM 0 HB3 ALA A 10 5.485 -9.711 5.105 1.00 0.20 H new ATOM 166 N PHE A 11 4.261 -10.639 2.421 1.00 0.12 N ATOM 167 CA PHE A 11 3.577 -10.027 1.248 1.00 0.11 C ATOM 168 C PHE A 11 2.423 -10.915 0.794 1.00 0.13 C ATOM 169 O PHE A 11 1.271 -10.563 0.925 1.00 0.16 O ATOM 170 CB PHE A 11 4.571 -9.863 0.094 1.00 0.10 C ATOM 171 CG PHE A 11 3.870 -9.240 -1.094 1.00 0.13 C ATOM 172 CD1 PHE A 11 3.440 -7.901 -1.034 1.00 0.16 C ATOM 173 CD2 PHE A 11 3.655 -9.995 -2.265 1.00 0.14 C ATOM 174 CE1 PHE A 11 2.795 -7.317 -2.142 1.00 0.20 C ATOM 175 CE2 PHE A 11 3.009 -9.411 -3.372 1.00 0.18 C ATOM 176 CZ PHE A 11 2.580 -8.072 -3.311 1.00 0.21 C ATOM 0 H PHE A 11 5.250 -10.849 2.288 1.00 0.12 H new ATOM 0 HA PHE A 11 3.190 -9.050 1.538 1.00 0.11 H new ATOM 0 HB2 PHE A 11 5.406 -9.236 0.406 1.00 0.10 H new ATOM 0 HB3 PHE A 11 4.986 -10.832 -0.183 1.00 0.10 H new ATOM 0 HD1 PHE A 11 3.605 -7.321 -0.138 1.00 0.16 H new ATOM 0 HD2 PHE A 11 3.986 -11.022 -2.313 1.00 0.14 H new ATOM 0 HE1 PHE A 11 2.465 -6.290 -2.095 1.00 0.20 H new ATOM 0 HE2 PHE A 11 2.843 -9.991 -4.268 1.00 0.18 H new ATOM 0 HZ PHE A 11 2.086 -7.624 -4.160 1.00 0.21 H new ATOM 186 N GLN A 12 2.724 -12.061 0.250 1.00 0.15 N ATOM 187 CA GLN A 12 1.640 -12.964 -0.227 1.00 0.19 C ATOM 188 C GLN A 12 0.648 -13.228 0.906 1.00 0.17 C ATOM 189 O GLN A 12 -0.551 -13.199 0.711 1.00 0.16 O ATOM 190 CB GLN A 12 2.249 -14.288 -0.691 1.00 0.24 C ATOM 191 CG GLN A 12 3.062 -14.055 -1.966 1.00 1.21 C ATOM 192 CD GLN A 12 3.749 -15.357 -2.378 1.00 1.77 C ATOM 193 OE1 GLN A 12 3.243 -16.091 -3.203 1.00 2.35 O ATOM 194 NE2 GLN A 12 4.892 -15.677 -1.835 1.00 2.47 N ATOM 0 H GLN A 12 3.673 -12.411 0.115 1.00 0.15 H new ATOM 0 HA GLN A 12 1.117 -12.490 -1.058 1.00 0.19 H new ATOM 0 HB2 GLN A 12 2.887 -14.701 0.090 1.00 0.24 H new ATOM 0 HB3 GLN A 12 1.461 -15.018 -0.877 1.00 0.24 H new ATOM 0 HG2 GLN A 12 2.410 -13.706 -2.767 1.00 1.21 H new ATOM 0 HG3 GLN A 12 3.806 -13.276 -1.798 1.00 1.21 H new ATOM 0 HE21 GLN A 12 5.318 -15.061 -1.142 1.00 2.47 H new ATOM 0 HE22 GLN A 12 5.360 -16.543 -2.104 1.00 2.47 H new ATOM 203 N GLU A 13 1.134 -13.485 2.086 1.00 0.19 N ATOM 204 CA GLU A 13 0.213 -13.752 3.222 1.00 0.20 C ATOM 205 C GLU A 13 -0.711 -12.550 3.432 1.00 0.18 C ATOM 206 O GLU A 13 -1.875 -12.702 3.750 1.00 0.19 O ATOM 207 CB GLU A 13 1.037 -14.004 4.488 1.00 0.25 C ATOM 208 CG GLU A 13 1.599 -15.429 4.467 1.00 0.30 C ATOM 209 CD GLU A 13 0.463 -16.430 4.681 1.00 1.29 C ATOM 210 OE1 GLU A 13 0.063 -16.608 5.819 1.00 2.03 O ATOM 211 OE2 GLU A 13 0.012 -17.002 3.701 1.00 2.10 O ATOM 0 H GLU A 13 2.128 -13.522 2.313 1.00 0.19 H new ATOM 0 HA GLU A 13 -0.395 -14.630 3.003 1.00 0.20 H new ATOM 0 HB2 GLU A 13 1.852 -13.283 4.552 1.00 0.25 H new ATOM 0 HB3 GLU A 13 0.415 -13.862 5.372 1.00 0.25 H new ATOM 0 HG2 GLU A 13 2.093 -15.622 3.515 1.00 0.30 H new ATOM 0 HG3 GLU A 13 2.352 -15.546 5.246 1.00 0.30 H new ATOM 218 N ALA A 14 -0.211 -11.356 3.261 1.00 0.18 N ATOM 219 CA ALA A 14 -1.078 -10.161 3.455 1.00 0.18 C ATOM 220 C ALA A 14 -2.248 -10.221 2.465 1.00 0.18 C ATOM 221 O ALA A 14 -3.387 -9.979 2.813 1.00 0.19 O ATOM 222 CB ALA A 14 -0.259 -8.896 3.208 1.00 0.20 C ATOM 0 H ALA A 14 0.754 -11.158 2.997 1.00 0.18 H new ATOM 0 HA ALA A 14 -1.465 -10.147 4.474 1.00 0.18 H new ATOM 0 HB1 ALA A 14 -0.892 -8.020 3.349 1.00 0.20 H new ATOM 0 HB2 ALA A 14 0.574 -8.859 3.910 1.00 0.20 H new ATOM 0 HB3 ALA A 14 0.126 -8.905 2.188 1.00 0.20 H new ATOM 228 N LEU A 15 -1.968 -10.550 1.232 1.00 0.17 N ATOM 229 CA LEU A 15 -3.050 -10.639 0.205 1.00 0.18 C ATOM 230 C LEU A 15 -4.015 -11.768 0.573 1.00 0.18 C ATOM 231 O LEU A 15 -5.218 -11.632 0.465 1.00 0.18 O ATOM 232 CB LEU A 15 -2.427 -10.926 -1.166 1.00 0.19 C ATOM 233 CG LEU A 15 -1.181 -10.058 -1.362 1.00 0.24 C ATOM 234 CD1 LEU A 15 -0.609 -10.298 -2.762 1.00 0.18 C ATOM 235 CD2 LEU A 15 -1.556 -8.581 -1.213 1.00 0.62 C ATOM 0 H LEU A 15 -1.031 -10.762 0.889 1.00 0.17 H new ATOM 0 HA LEU A 15 -3.595 -9.696 0.169 1.00 0.18 H new ATOM 0 HB2 LEU A 15 -2.162 -11.981 -1.242 1.00 0.19 H new ATOM 0 HB3 LEU A 15 -3.151 -10.722 -1.955 1.00 0.19 H new ATOM 0 HG LEU A 15 -0.435 -10.320 -0.612 1.00 0.24 H new ATOM 0 HD11 LEU A 15 0.278 -9.681 -2.903 1.00 0.18 H new ATOM 0 HD12 LEU A 15 -0.341 -11.349 -2.870 1.00 0.18 H new ATOM 0 HD13 LEU A 15 -1.357 -10.035 -3.510 1.00 0.18 H new ATOM 0 HD21 LEU A 15 -0.668 -7.964 -1.353 1.00 0.62 H new ATOM 0 HD22 LEU A 15 -2.302 -8.318 -1.962 1.00 0.62 H new ATOM 0 HD23 LEU A 15 -1.965 -8.408 -0.217 1.00 0.62 H new ATOM 247 N ASP A 16 -3.496 -12.885 1.003 1.00 0.19 N ATOM 248 CA ASP A 16 -4.380 -14.025 1.372 1.00 0.21 C ATOM 249 C ASP A 16 -5.257 -13.635 2.564 1.00 0.20 C ATOM 250 O ASP A 16 -6.433 -13.932 2.603 1.00 0.20 O ATOM 251 CB ASP A 16 -3.521 -15.234 1.746 1.00 0.24 C ATOM 252 CG ASP A 16 -4.419 -16.456 1.945 1.00 0.28 C ATOM 253 OD1 ASP A 16 -5.618 -16.272 2.071 1.00 1.09 O ATOM 254 OD2 ASP A 16 -3.892 -17.556 1.968 1.00 1.07 O ATOM 0 H ASP A 16 -2.497 -13.057 1.115 1.00 0.19 H new ATOM 0 HA ASP A 16 -5.017 -14.277 0.524 1.00 0.21 H new ATOM 0 HB2 ASP A 16 -2.790 -15.431 0.962 1.00 0.24 H new ATOM 0 HB3 ASP A 16 -2.962 -15.028 2.659 1.00 0.24 H new ATOM 259 N ALA A 17 -4.695 -12.974 3.539 1.00 0.22 N ATOM 260 CA ALA A 17 -5.501 -12.574 4.726 1.00 0.24 C ATOM 261 C ALA A 17 -6.341 -11.341 4.383 1.00 0.21 C ATOM 262 O ALA A 17 -7.245 -10.976 5.108 1.00 0.22 O ATOM 263 CB ALA A 17 -4.565 -12.244 5.890 1.00 0.30 C ATOM 0 H ALA A 17 -3.714 -12.694 3.565 1.00 0.22 H new ATOM 0 HA ALA A 17 -6.160 -13.395 5.010 1.00 0.24 H new ATOM 0 HB1 ALA A 17 -5.154 -11.951 6.759 1.00 0.30 H new ATOM 0 HB2 ALA A 17 -3.967 -13.121 6.136 1.00 0.30 H new ATOM 0 HB3 ALA A 17 -3.906 -11.424 5.606 1.00 0.30 H new ATOM 269 N ALA A 18 -6.052 -10.699 3.285 1.00 0.21 N ATOM 270 CA ALA A 18 -6.836 -9.491 2.900 1.00 0.22 C ATOM 271 C ALA A 18 -8.258 -9.903 2.509 1.00 0.21 C ATOM 272 O ALA A 18 -9.107 -9.071 2.260 1.00 0.24 O ATOM 273 CB ALA A 18 -6.162 -8.804 1.712 1.00 0.23 C ATOM 0 H ALA A 18 -5.307 -10.958 2.638 1.00 0.21 H new ATOM 0 HA ALA A 18 -6.878 -8.803 3.745 1.00 0.22 H new ATOM 0 HB1 ALA A 18 -6.735 -7.921 1.430 1.00 0.23 H new ATOM 0 HB2 ALA A 18 -5.150 -8.507 1.989 1.00 0.23 H new ATOM 0 HB3 ALA A 18 -6.120 -9.494 0.869 1.00 0.23 H new ATOM 279 N GLY A 19 -8.524 -11.179 2.452 1.00 0.22 N ATOM 280 CA GLY A 19 -9.892 -11.637 2.074 1.00 0.24 C ATOM 281 C GLY A 19 -10.151 -11.302 0.605 1.00 0.20 C ATOM 282 O GLY A 19 -9.559 -11.880 -0.286 1.00 0.28 O ATOM 0 H GLY A 19 -7.855 -11.923 2.650 1.00 0.22 H new ATOM 0 HA2 GLY A 19 -9.986 -12.711 2.236 1.00 0.24 H new ATOM 0 HA3 GLY A 19 -10.637 -11.153 2.706 1.00 0.24 H new ATOM 286 N ASP A 20 -11.032 -10.371 0.344 1.00 0.13 N ATOM 287 CA ASP A 20 -11.336 -9.988 -1.072 1.00 0.18 C ATOM 288 C ASP A 20 -11.504 -8.464 -1.152 1.00 0.15 C ATOM 289 O ASP A 20 -11.837 -7.924 -2.188 1.00 0.22 O ATOM 290 CB ASP A 20 -12.631 -10.699 -1.546 1.00 0.26 C ATOM 291 CG ASP A 20 -13.408 -11.241 -0.341 1.00 1.43 C ATOM 292 OD1 ASP A 20 -13.994 -10.440 0.369 1.00 2.19 O ATOM 293 OD2 ASP A 20 -13.405 -12.446 -0.152 1.00 2.21 O ATOM 0 H ASP A 20 -11.557 -9.857 1.051 1.00 0.13 H new ATOM 0 HA ASP A 20 -10.517 -10.296 -1.722 1.00 0.18 H new ATOM 0 HB2 ASP A 20 -13.254 -10.001 -2.106 1.00 0.26 H new ATOM 0 HB3 ASP A 20 -12.380 -11.515 -2.223 1.00 0.26 H new ATOM 298 N LYS A 21 -11.267 -7.766 -0.073 1.00 0.12 N ATOM 299 CA LYS A 21 -11.404 -6.285 -0.106 1.00 0.19 C ATOM 300 C LYS A 21 -10.277 -5.705 -0.957 1.00 0.15 C ATOM 301 O LYS A 21 -9.337 -6.391 -1.307 1.00 0.15 O ATOM 302 CB LYS A 21 -11.306 -5.732 1.317 1.00 0.27 C ATOM 303 CG LYS A 21 -12.637 -5.941 2.040 1.00 0.29 C ATOM 304 CD LYS A 21 -12.437 -5.754 3.544 1.00 0.30 C ATOM 305 CE LYS A 21 -13.794 -5.558 4.218 1.00 1.12 C ATOM 306 NZ LYS A 21 -13.639 -5.716 5.691 1.00 1.90 N ATOM 0 H LYS A 21 -10.986 -8.158 0.826 1.00 0.12 H new ATOM 0 HA LYS A 21 -12.369 -6.011 -0.532 1.00 0.19 H new ATOM 0 HB2 LYS A 21 -10.504 -6.233 1.858 1.00 0.27 H new ATOM 0 HB3 LYS A 21 -11.058 -4.671 1.290 1.00 0.27 H new ATOM 0 HG2 LYS A 21 -13.379 -5.233 1.670 1.00 0.29 H new ATOM 0 HG3 LYS A 21 -13.021 -6.940 1.835 1.00 0.29 H new ATOM 0 HD2 LYS A 21 -11.932 -6.623 3.965 1.00 0.30 H new ATOM 0 HD3 LYS A 21 -11.798 -4.892 3.732 1.00 0.30 H new ATOM 0 HE2 LYS A 21 -14.189 -4.569 3.986 1.00 1.12 H new ATOM 0 HE3 LYS A 21 -14.511 -6.285 3.836 1.00 1.12 H new ATOM 0 HZ1 LYS A 21 -14.561 -5.583 6.153 1.00 1.90 H new ATOM 0 HZ2 LYS A 21 -13.280 -6.669 5.902 1.00 1.90 H new ATOM 0 HZ3 LYS A 21 -12.968 -5.006 6.048 1.00 1.90 H new ATOM 320 N LEU A 22 -10.355 -4.449 -1.292 1.00 0.13 N ATOM 321 CA LEU A 22 -9.277 -3.847 -2.112 1.00 0.11 C ATOM 322 C LEU A 22 -7.974 -3.896 -1.296 1.00 0.10 C ATOM 323 O LEU A 22 -7.998 -4.064 -0.092 1.00 0.11 O ATOM 324 CB LEU A 22 -9.659 -2.387 -2.450 1.00 0.12 C ATOM 325 CG LEU A 22 -9.348 -2.030 -3.921 1.00 0.13 C ATOM 326 CD1 LEU A 22 -9.630 -0.526 -4.145 1.00 0.17 C ATOM 327 CD2 LEU A 22 -7.876 -2.342 -4.261 1.00 0.11 C ATOM 0 H LEU A 22 -11.115 -3.819 -1.034 1.00 0.13 H new ATOM 0 HA LEU A 22 -9.140 -4.393 -3.045 1.00 0.11 H new ATOM 0 HB2 LEU A 22 -10.721 -2.237 -2.258 1.00 0.12 H new ATOM 0 HB3 LEU A 22 -9.117 -1.709 -1.791 1.00 0.12 H new ATOM 0 HG LEU A 22 -9.983 -2.630 -4.573 1.00 0.13 H new ATOM 0 HD11 LEU A 22 -9.413 -0.265 -5.181 1.00 0.17 H new ATOM 0 HD12 LEU A 22 -10.678 -0.316 -3.930 1.00 0.17 H new ATOM 0 HD13 LEU A 22 -8.998 0.065 -3.482 1.00 0.17 H new ATOM 0 HD21 LEU A 22 -7.680 -2.083 -5.301 1.00 0.11 H new ATOM 0 HD22 LEU A 22 -7.221 -1.760 -3.612 1.00 0.11 H new ATOM 0 HD23 LEU A 22 -7.685 -3.404 -4.110 1.00 0.11 H new ATOM 339 N VAL A 23 -6.842 -3.746 -1.930 1.00 0.08 N ATOM 340 CA VAL A 23 -5.550 -3.782 -1.182 1.00 0.09 C ATOM 341 C VAL A 23 -4.562 -2.811 -1.829 1.00 0.08 C ATOM 342 O VAL A 23 -4.011 -3.081 -2.878 1.00 0.09 O ATOM 343 CB VAL A 23 -4.970 -5.197 -1.228 1.00 0.10 C ATOM 344 CG1 VAL A 23 -3.835 -5.316 -0.210 1.00 0.12 C ATOM 345 CG2 VAL A 23 -6.065 -6.211 -0.888 1.00 0.10 C ATOM 0 H VAL A 23 -6.755 -3.600 -2.936 1.00 0.08 H new ATOM 0 HA VAL A 23 -5.724 -3.493 -0.145 1.00 0.09 H new ATOM 0 HB VAL A 23 -4.586 -5.398 -2.228 1.00 0.10 H new ATOM 0 HG11 VAL A 23 -3.421 -6.324 -0.242 1.00 0.12 H new ATOM 0 HG12 VAL A 23 -3.053 -4.595 -0.450 1.00 0.12 H new ATOM 0 HG13 VAL A 23 -4.220 -5.114 0.789 1.00 0.12 H new ATOM 0 HG21 VAL A 23 -5.651 -7.219 -0.921 1.00 0.10 H new ATOM 0 HG22 VAL A 23 -6.450 -6.009 0.112 1.00 0.10 H new ATOM 0 HG23 VAL A 23 -6.875 -6.128 -1.612 1.00 0.10 H new ATOM 355 N VAL A 24 -4.328 -1.680 -1.205 1.00 0.08 N ATOM 356 CA VAL A 24 -3.368 -0.683 -1.772 1.00 0.08 C ATOM 357 C VAL A 24 -2.060 -0.754 -0.984 1.00 0.08 C ATOM 358 O VAL A 24 -2.045 -0.675 0.228 1.00 0.08 O ATOM 359 CB VAL A 24 -3.965 0.723 -1.673 1.00 0.08 C ATOM 360 CG1 VAL A 24 -3.160 1.684 -2.550 1.00 0.09 C ATOM 361 CG2 VAL A 24 -5.422 0.691 -2.146 1.00 0.09 C ATOM 0 H VAL A 24 -4.763 -1.405 -0.324 1.00 0.08 H new ATOM 0 HA VAL A 24 -3.175 -0.908 -2.821 1.00 0.08 H new ATOM 0 HB VAL A 24 -3.927 1.063 -0.638 1.00 0.08 H new ATOM 0 HG11 VAL A 24 -3.586 2.685 -2.479 1.00 0.09 H new ATOM 0 HG12 VAL A 24 -2.124 1.705 -2.211 1.00 0.09 H new ATOM 0 HG13 VAL A 24 -3.195 1.347 -3.586 1.00 0.09 H new ATOM 0 HG21 VAL A 24 -5.849 1.691 -2.076 1.00 0.09 H new ATOM 0 HG22 VAL A 24 -5.461 0.351 -3.181 1.00 0.09 H new ATOM 0 HG23 VAL A 24 -5.994 0.008 -1.518 1.00 0.09 H new ATOM 371 N VAL A 25 -0.962 -0.923 -1.672 1.00 0.09 N ATOM 372 CA VAL A 25 0.365 -1.026 -0.990 1.00 0.09 C ATOM 373 C VAL A 25 1.133 0.277 -1.171 1.00 0.10 C ATOM 374 O VAL A 25 1.136 0.862 -2.234 1.00 0.17 O ATOM 375 CB VAL A 25 1.166 -2.166 -1.627 1.00 0.10 C ATOM 376 CG1 VAL A 25 2.318 -2.573 -0.705 1.00 0.12 C ATOM 377 CG2 VAL A 25 0.247 -3.368 -1.859 1.00 0.09 C ATOM 0 H VAL A 25 -0.926 -0.995 -2.689 1.00 0.09 H new ATOM 0 HA VAL A 25 0.215 -1.219 0.072 1.00 0.09 H new ATOM 0 HB VAL A 25 1.573 -1.828 -2.580 1.00 0.10 H new ATOM 0 HG11 VAL A 25 2.883 -3.384 -1.165 1.00 0.12 H new ATOM 0 HG12 VAL A 25 2.975 -1.718 -0.545 1.00 0.12 H new ATOM 0 HG13 VAL A 25 1.917 -2.907 0.252 1.00 0.12 H new ATOM 0 HG21 VAL A 25 0.817 -4.179 -2.312 1.00 0.09 H new ATOM 0 HG22 VAL A 25 -0.164 -3.701 -0.906 1.00 0.09 H new ATOM 0 HG23 VAL A 25 -0.567 -3.080 -2.524 1.00 0.09 H new ATOM 387 N ASP A 26 1.792 0.727 -0.139 1.00 0.08 N ATOM 388 CA ASP A 26 2.581 1.991 -0.227 1.00 0.08 C ATOM 389 C ASP A 26 4.070 1.664 -0.135 1.00 0.08 C ATOM 390 O ASP A 26 4.588 1.374 0.925 1.00 0.09 O ATOM 391 CB ASP A 26 2.192 2.906 0.936 1.00 0.09 C ATOM 392 CG ASP A 26 3.084 4.149 0.929 1.00 0.09 C ATOM 393 OD1 ASP A 26 3.847 4.301 -0.011 1.00 0.93 O ATOM 394 OD2 ASP A 26 2.988 4.928 1.863 1.00 0.96 O ATOM 0 H ASP A 26 1.818 0.269 0.772 1.00 0.08 H new ATOM 0 HA ASP A 26 2.374 2.490 -1.174 1.00 0.08 H new ATOM 0 HB2 ASP A 26 1.145 3.196 0.849 1.00 0.09 H new ATOM 0 HB3 ASP A 26 2.298 2.375 1.882 1.00 0.09 H new ATOM 399 N PHE A 27 4.769 1.720 -1.235 1.00 0.08 N ATOM 400 CA PHE A 27 6.227 1.426 -1.204 1.00 0.09 C ATOM 401 C PHE A 27 6.960 2.711 -0.833 1.00 0.11 C ATOM 402 O PHE A 27 7.445 3.423 -1.691 1.00 0.13 O ATOM 403 CB PHE A 27 6.689 0.980 -2.590 1.00 0.10 C ATOM 404 CG PHE A 27 6.258 -0.445 -2.857 1.00 0.11 C ATOM 405 CD1 PHE A 27 4.928 -0.729 -3.228 1.00 0.19 C ATOM 406 CD2 PHE A 27 7.195 -1.488 -2.751 1.00 0.16 C ATOM 407 CE1 PHE A 27 4.539 -2.059 -3.489 1.00 0.24 C ATOM 408 CE2 PHE A 27 6.807 -2.814 -3.014 1.00 0.21 C ATOM 409 CZ PHE A 27 5.480 -3.101 -3.383 1.00 0.23 C ATOM 0 H PHE A 27 4.393 1.957 -2.153 1.00 0.08 H new ATOM 0 HA PHE A 27 6.435 0.637 -0.481 1.00 0.09 H new ATOM 0 HB2 PHE A 27 6.272 1.641 -3.349 1.00 0.10 H new ATOM 0 HB3 PHE A 27 7.774 1.058 -2.661 1.00 0.10 H new ATOM 0 HD1 PHE A 27 4.208 0.071 -3.312 1.00 0.19 H new ATOM 0 HD2 PHE A 27 8.214 -1.271 -2.467 1.00 0.16 H new ATOM 0 HE1 PHE A 27 3.520 -2.278 -3.770 1.00 0.24 H new ATOM 0 HE2 PHE A 27 7.529 -3.613 -2.933 1.00 0.21 H new ATOM 0 HZ PHE A 27 5.183 -4.120 -3.585 1.00 0.23 H new ATOM 419 N SER A 28 7.025 3.020 0.437 1.00 0.11 N ATOM 420 CA SER A 28 7.716 4.268 0.892 1.00 0.12 C ATOM 421 C SER A 28 8.947 3.901 1.718 1.00 0.10 C ATOM 422 O SER A 28 8.980 2.884 2.382 1.00 0.11 O ATOM 423 CB SER A 28 6.760 5.084 1.757 1.00 0.17 C ATOM 424 OG SER A 28 5.695 5.571 0.950 1.00 1.03 O ATOM 0 H SER A 28 6.625 2.456 1.187 1.00 0.11 H new ATOM 0 HA SER A 28 8.021 4.851 0.023 1.00 0.12 H new ATOM 0 HB2 SER A 28 6.367 4.468 2.565 1.00 0.17 H new ATOM 0 HB3 SER A 28 7.291 5.916 2.220 1.00 0.17 H new ATOM 0 HG SER A 28 5.390 4.861 0.348 1.00 1.03 H new ATOM 430 N ALA A 29 9.954 4.728 1.698 1.00 0.10 N ATOM 431 CA ALA A 29 11.179 4.440 2.498 1.00 0.15 C ATOM 432 C ALA A 29 11.039 5.117 3.868 1.00 0.18 C ATOM 433 O ALA A 29 10.802 6.305 3.961 1.00 0.26 O ATOM 434 CB ALA A 29 12.406 4.988 1.749 1.00 0.19 C ATOM 0 H ALA A 29 9.983 5.594 1.160 1.00 0.10 H new ATOM 0 HA ALA A 29 11.304 3.366 2.640 1.00 0.15 H new ATOM 0 HB1 ALA A 29 13.307 4.782 2.327 1.00 0.19 H new ATOM 0 HB2 ALA A 29 12.482 4.507 0.774 1.00 0.19 H new ATOM 0 HB3 ALA A 29 12.299 6.064 1.615 1.00 0.19 H new ATOM 440 N THR A 30 11.176 4.370 4.929 1.00 0.18 N ATOM 441 CA THR A 30 11.039 4.970 6.289 1.00 0.23 C ATOM 442 C THR A 30 12.180 5.960 6.541 1.00 0.26 C ATOM 443 O THR A 30 12.083 6.828 7.386 1.00 0.31 O ATOM 444 CB THR A 30 11.087 3.861 7.343 1.00 0.26 C ATOM 445 OG1 THR A 30 10.839 4.419 8.627 1.00 0.32 O ATOM 446 CG2 THR A 30 12.466 3.200 7.330 1.00 0.28 C ATOM 0 H THR A 30 11.377 3.370 4.914 1.00 0.18 H new ATOM 0 HA THR A 30 10.087 5.497 6.353 1.00 0.23 H new ATOM 0 HB THR A 30 10.327 3.113 7.118 1.00 0.26 H new ATOM 0 HG1 THR A 30 10.868 3.710 9.303 1.00 0.32 H new ATOM 0 HG21 THR A 30 12.498 2.411 8.081 1.00 0.28 H new ATOM 0 HG22 THR A 30 12.655 2.772 6.346 1.00 0.28 H new ATOM 0 HG23 THR A 30 13.229 3.945 7.554 1.00 0.28 H new ATOM 454 N TRP A 31 13.262 5.836 5.822 1.00 0.26 N ATOM 455 CA TRP A 31 14.412 6.767 6.024 1.00 0.32 C ATOM 456 C TRP A 31 14.252 7.993 5.120 1.00 0.32 C ATOM 457 O TRP A 31 14.892 9.008 5.314 1.00 0.36 O ATOM 458 CB TRP A 31 15.715 6.046 5.660 1.00 0.34 C ATOM 459 CG TRP A 31 15.749 5.781 4.188 1.00 0.30 C ATOM 460 CD1 TRP A 31 15.364 4.630 3.592 1.00 0.26 C ATOM 461 CD2 TRP A 31 16.178 6.673 3.122 1.00 0.33 C ATOM 462 NE1 TRP A 31 15.525 4.760 2.223 1.00 0.25 N ATOM 463 CE2 TRP A 31 16.028 5.998 1.882 1.00 0.29 C ATOM 464 CE3 TRP A 31 16.682 7.994 3.110 1.00 0.40 C ATOM 465 CZ2 TRP A 31 16.363 6.614 0.667 1.00 0.32 C ATOM 466 CZ3 TRP A 31 17.022 8.617 1.892 1.00 0.44 C ATOM 467 CH2 TRP A 31 16.863 7.928 0.672 1.00 0.40 C ATOM 0 H TRP A 31 13.401 5.128 5.101 1.00 0.26 H new ATOM 0 HA TRP A 31 14.439 7.084 7.066 1.00 0.32 H new ATOM 0 HB2 TRP A 31 16.572 6.654 5.950 1.00 0.34 H new ATOM 0 HB3 TRP A 31 15.789 5.108 6.210 1.00 0.34 H new ATOM 0 HD1 TRP A 31 14.992 3.753 4.101 1.00 0.26 H new ATOM 0 HE1 TRP A 31 15.299 4.029 1.549 1.00 0.25 H new ATOM 0 HE3 TRP A 31 16.807 8.529 4.040 1.00 0.40 H new ATOM 0 HZ2 TRP A 31 16.238 6.083 -0.265 1.00 0.32 H new ATOM 0 HZ3 TRP A 31 17.406 9.626 1.893 1.00 0.44 H new ATOM 0 HH2 TRP A 31 17.125 8.410 -0.258 1.00 0.40 H new ATOM 478 N CYS A 32 13.421 7.896 4.117 1.00 0.28 N ATOM 479 CA CYS A 32 13.240 9.041 3.178 1.00 0.30 C ATOM 480 C CYS A 32 12.063 9.912 3.629 1.00 0.31 C ATOM 481 O CYS A 32 10.959 9.444 3.824 1.00 0.29 O ATOM 482 CB CYS A 32 12.989 8.484 1.770 1.00 0.28 C ATOM 483 SG CYS A 32 13.598 9.656 0.532 1.00 0.32 S ATOM 0 H CYS A 32 12.859 7.071 3.907 1.00 0.28 H new ATOM 0 HA CYS A 32 14.136 9.662 3.171 1.00 0.30 H new ATOM 0 HB2 CYS A 32 13.491 7.524 1.654 1.00 0.28 H new ATOM 0 HB3 CYS A 32 11.924 8.306 1.623 1.00 0.28 H new ATOM 488 N GLY A 33 12.309 11.181 3.798 1.00 0.34 N ATOM 489 CA GLY A 33 11.236 12.114 4.240 1.00 0.36 C ATOM 490 C GLY A 33 10.113 12.211 3.193 1.00 0.35 C ATOM 491 O GLY A 33 8.978 11.946 3.510 1.00 0.33 O ATOM 0 H GLY A 33 13.219 11.616 3.647 1.00 0.34 H new ATOM 0 HA2 GLY A 33 10.823 11.773 5.189 1.00 0.36 H new ATOM 0 HA3 GLY A 33 11.660 13.103 4.414 1.00 0.36 H new ATOM 495 N PRO A 34 10.447 12.612 1.983 1.00 0.37 N ATOM 496 CA PRO A 34 9.439 12.774 0.914 1.00 0.38 C ATOM 497 C PRO A 34 8.526 11.545 0.819 1.00 0.35 C ATOM 498 O PRO A 34 7.353 11.660 0.525 1.00 0.36 O ATOM 499 CB PRO A 34 10.270 12.975 -0.374 1.00 0.42 C ATOM 500 CG PRO A 34 11.716 13.319 0.080 1.00 0.44 C ATOM 501 CD PRO A 34 11.831 12.926 1.573 1.00 0.40 C ATOM 0 HA PRO A 34 8.768 13.613 1.099 1.00 0.38 H new ATOM 0 HB2 PRO A 34 10.260 12.073 -0.986 1.00 0.42 H new ATOM 0 HB3 PRO A 34 9.854 13.778 -0.983 1.00 0.42 H new ATOM 0 HG2 PRO A 34 12.447 12.776 -0.519 1.00 0.44 H new ATOM 0 HG3 PRO A 34 11.920 14.381 -0.055 1.00 0.44 H new ATOM 0 HD2 PRO A 34 12.489 12.067 1.707 1.00 0.40 H new ATOM 0 HD3 PRO A 34 12.245 13.741 2.167 1.00 0.40 H new ATOM 509 N ALA A 35 9.045 10.379 1.066 1.00 0.33 N ATOM 510 CA ALA A 35 8.188 9.165 0.988 1.00 0.32 C ATOM 511 C ALA A 35 7.329 9.082 2.251 1.00 0.39 C ATOM 512 O ALA A 35 6.117 9.159 2.202 1.00 0.81 O ATOM 513 CB ALA A 35 9.076 7.922 0.884 1.00 0.36 C ATOM 0 H ALA A 35 10.019 10.212 1.317 1.00 0.33 H new ATOM 0 HA ALA A 35 7.544 9.219 0.110 1.00 0.32 H new ATOM 0 HB1 ALA A 35 8.450 7.031 0.827 1.00 0.36 H new ATOM 0 HB2 ALA A 35 9.693 7.990 -0.012 1.00 0.36 H new ATOM 0 HB3 ALA A 35 9.718 7.859 1.763 1.00 0.36 H new ATOM 519 N LYS A 36 7.957 8.929 3.380 1.00 0.30 N ATOM 520 CA LYS A 36 7.205 8.844 4.663 1.00 0.28 C ATOM 521 C LYS A 36 6.389 10.121 4.880 1.00 0.24 C ATOM 522 O LYS A 36 5.480 10.158 5.686 1.00 0.25 O ATOM 523 CB LYS A 36 8.213 8.681 5.806 1.00 0.35 C ATOM 524 CG LYS A 36 7.497 8.771 7.157 1.00 0.38 C ATOM 525 CD LYS A 36 8.457 8.346 8.269 1.00 0.49 C ATOM 526 CE LYS A 36 7.861 8.718 9.627 1.00 1.22 C ATOM 527 NZ LYS A 36 7.684 10.197 9.704 1.00 1.92 N ATOM 0 H LYS A 36 8.970 8.858 3.471 1.00 0.30 H new ATOM 0 HA LYS A 36 6.523 7.994 4.635 1.00 0.28 H new ATOM 0 HB2 LYS A 36 8.721 7.721 5.719 1.00 0.35 H new ATOM 0 HB3 LYS A 36 8.978 9.454 5.739 1.00 0.35 H new ATOM 0 HG2 LYS A 36 7.150 9.790 7.330 1.00 0.38 H new ATOM 0 HG3 LYS A 36 6.616 8.130 7.157 1.00 0.38 H new ATOM 0 HD2 LYS A 36 8.635 7.272 8.220 1.00 0.49 H new ATOM 0 HD3 LYS A 36 9.422 8.835 8.137 1.00 0.49 H new ATOM 0 HE2 LYS A 36 6.902 8.219 9.764 1.00 1.22 H new ATOM 0 HE3 LYS A 36 8.516 8.377 10.429 1.00 1.22 H new ATOM 0 HZ1 LYS A 36 7.779 10.507 10.692 1.00 1.92 H new ATOM 0 HZ2 LYS A 36 8.409 10.664 9.123 1.00 1.92 H new ATOM 0 HZ3 LYS A 36 6.740 10.453 9.350 1.00 1.92 H new ATOM 541 N MET A 37 6.712 11.171 4.182 1.00 0.23 N ATOM 542 CA MET A 37 5.963 12.446 4.366 1.00 0.24 C ATOM 543 C MET A 37 4.491 12.250 4.000 1.00 0.20 C ATOM 544 O MET A 37 3.646 13.042 4.371 1.00 0.20 O ATOM 545 CB MET A 37 6.571 13.535 3.475 1.00 0.29 C ATOM 546 CG MET A 37 5.710 14.801 3.541 1.00 1.31 C ATOM 547 SD MET A 37 6.673 16.212 2.943 1.00 2.12 S ATOM 548 CE MET A 37 5.479 17.502 3.371 1.00 3.13 C ATOM 0 H MET A 37 7.462 11.203 3.492 1.00 0.23 H new ATOM 0 HA MET A 37 6.033 12.748 5.411 1.00 0.24 H new ATOM 0 HB2 MET A 37 7.587 13.758 3.800 1.00 0.29 H new ATOM 0 HB3 MET A 37 6.636 13.182 2.446 1.00 0.29 H new ATOM 0 HG2 MET A 37 4.812 14.676 2.935 1.00 1.31 H new ATOM 0 HG3 MET A 37 5.382 14.978 4.565 1.00 1.31 H new ATOM 0 HE1 MET A 37 5.877 18.475 3.084 1.00 3.13 H new ATOM 0 HE2 MET A 37 4.543 17.322 2.842 1.00 3.13 H new ATOM 0 HE3 MET A 37 5.297 17.487 4.446 1.00 3.13 H new ATOM 558 N ILE A 38 4.174 11.216 3.262 1.00 0.18 N ATOM 559 CA ILE A 38 2.750 10.988 2.855 1.00 0.15 C ATOM 560 C ILE A 38 2.091 9.967 3.784 1.00 0.16 C ATOM 561 O ILE A 38 1.024 9.460 3.505 1.00 0.16 O ATOM 562 CB ILE A 38 2.706 10.482 1.403 1.00 0.16 C ATOM 563 CG1 ILE A 38 3.595 11.396 0.536 1.00 0.17 C ATOM 564 CG2 ILE A 38 1.254 10.504 0.882 1.00 0.17 C ATOM 565 CD1 ILE A 38 3.657 10.884 -0.916 1.00 0.28 C ATOM 0 H ILE A 38 4.838 10.519 2.923 1.00 0.18 H new ATOM 0 HA ILE A 38 2.203 11.928 2.927 1.00 0.15 H new ATOM 0 HB ILE A 38 3.074 9.457 1.355 1.00 0.16 H new ATOM 0 HG12 ILE A 38 3.202 12.413 0.551 1.00 0.17 H new ATOM 0 HG13 ILE A 38 4.600 11.436 0.955 1.00 0.17 H new ATOM 0 HG21 ILE A 38 1.231 10.144 -0.147 1.00 0.17 H new ATOM 0 HG22 ILE A 38 0.634 9.860 1.505 1.00 0.17 H new ATOM 0 HG23 ILE A 38 0.870 11.523 0.919 1.00 0.17 H new ATOM 0 HD11 ILE A 38 4.290 11.545 -1.508 1.00 0.28 H new ATOM 0 HD12 ILE A 38 4.072 9.876 -0.929 1.00 0.28 H new ATOM 0 HD13 ILE A 38 2.653 10.868 -1.339 1.00 0.28 H new ATOM 577 N LYS A 39 2.696 9.662 4.902 1.00 0.19 N ATOM 578 CA LYS A 39 2.051 8.679 5.814 1.00 0.22 C ATOM 579 C LYS A 39 0.761 9.238 6.461 1.00 0.20 C ATOM 580 O LYS A 39 -0.135 8.473 6.730 1.00 0.21 O ATOM 581 CB LYS A 39 3.044 8.127 6.875 1.00 0.31 C ATOM 582 CG LYS A 39 3.275 9.089 8.065 1.00 0.34 C ATOM 583 CD LYS A 39 3.805 8.306 9.282 1.00 0.45 C ATOM 584 CE LYS A 39 2.748 7.309 9.803 1.00 1.16 C ATOM 585 NZ LYS A 39 3.052 5.949 9.271 1.00 1.62 N ATOM 0 H LYS A 39 3.589 10.042 5.216 1.00 0.19 H new ATOM 0 HA LYS A 39 1.748 7.834 5.196 1.00 0.22 H new ATOM 0 HB2 LYS A 39 2.667 7.177 7.254 1.00 0.31 H new ATOM 0 HB3 LYS A 39 4.000 7.921 6.394 1.00 0.31 H new ATOM 0 HG2 LYS A 39 3.987 9.864 7.783 1.00 0.34 H new ATOM 0 HG3 LYS A 39 2.343 9.591 8.323 1.00 0.34 H new ATOM 0 HD2 LYS A 39 4.712 7.768 9.006 1.00 0.45 H new ATOM 0 HD3 LYS A 39 4.076 9.002 10.076 1.00 0.45 H new ATOM 0 HE2 LYS A 39 2.750 7.295 10.893 1.00 1.16 H new ATOM 0 HE3 LYS A 39 1.751 7.621 9.490 1.00 1.16 H new ATOM 0 HZ1 LYS A 39 2.197 5.548 8.834 1.00 1.62 H new ATOM 0 HZ2 LYS A 39 3.806 6.016 8.558 1.00 1.62 H new ATOM 0 HZ3 LYS A 39 3.364 5.334 10.049 1.00 1.62 H new ATOM 599 N PRO A 40 0.663 10.531 6.724 1.00 0.20 N ATOM 600 CA PRO A 40 -0.556 11.054 7.362 1.00 0.21 C ATOM 601 C PRO A 40 -1.760 10.871 6.429 1.00 0.17 C ATOM 602 O PRO A 40 -2.879 11.178 6.784 1.00 0.20 O ATOM 603 CB PRO A 40 -0.256 12.539 7.651 1.00 0.24 C ATOM 604 CG PRO A 40 1.211 12.809 7.210 1.00 0.25 C ATOM 605 CD PRO A 40 1.685 11.566 6.428 1.00 0.21 C ATOM 0 HA PRO A 40 -0.812 10.528 8.282 1.00 0.21 H new ATOM 0 HB2 PRO A 40 -0.946 13.183 7.106 1.00 0.24 H new ATOM 0 HB3 PRO A 40 -0.385 12.758 8.711 1.00 0.24 H new ATOM 0 HG2 PRO A 40 1.268 13.701 6.587 1.00 0.25 H new ATOM 0 HG3 PRO A 40 1.848 12.985 8.077 1.00 0.25 H new ATOM 0 HD2 PRO A 40 1.747 11.769 5.359 1.00 0.21 H new ATOM 0 HD3 PRO A 40 2.677 11.248 6.750 1.00 0.21 H new ATOM 613 N PHE A 41 -1.532 10.368 5.240 1.00 0.14 N ATOM 614 CA PHE A 41 -2.655 10.146 4.272 1.00 0.14 C ATOM 615 C PHE A 41 -2.849 8.644 4.064 1.00 0.11 C ATOM 616 O PHE A 41 -3.716 8.036 4.653 1.00 0.13 O ATOM 617 CB PHE A 41 -2.311 10.805 2.931 1.00 0.15 C ATOM 618 CG PHE A 41 -2.547 12.291 3.036 1.00 0.19 C ATOM 619 CD1 PHE A 41 -1.565 13.121 3.608 1.00 0.19 C ATOM 620 CD2 PHE A 41 -3.754 12.842 2.571 1.00 0.26 C ATOM 621 CE1 PHE A 41 -1.790 14.507 3.711 1.00 0.23 C ATOM 622 CE2 PHE A 41 -3.981 14.228 2.674 1.00 0.30 C ATOM 623 CZ PHE A 41 -2.999 15.061 3.246 1.00 0.27 C ATOM 0 H PHE A 41 -0.610 10.100 4.895 1.00 0.14 H new ATOM 0 HA PHE A 41 -3.572 10.584 4.667 1.00 0.14 H new ATOM 0 HB2 PHE A 41 -1.271 10.607 2.671 1.00 0.15 H new ATOM 0 HB3 PHE A 41 -2.925 10.382 2.136 1.00 0.15 H new ATOM 0 HD1 PHE A 41 -0.640 12.695 3.968 1.00 0.19 H new ATOM 0 HD2 PHE A 41 -4.507 12.202 2.135 1.00 0.26 H new ATOM 0 HE1 PHE A 41 -1.036 15.146 4.147 1.00 0.23 H new ATOM 0 HE2 PHE A 41 -4.907 14.652 2.315 1.00 0.30 H new ATOM 0 HZ PHE A 41 -3.173 16.124 3.328 1.00 0.27 H new ATOM 633 N PHE A 42 -2.046 8.049 3.227 1.00 0.10 N ATOM 634 CA PHE A 42 -2.171 6.586 2.954 1.00 0.11 C ATOM 635 C PHE A 42 -2.439 5.811 4.254 1.00 0.11 C ATOM 636 O PHE A 42 -3.408 5.087 4.361 1.00 0.12 O ATOM 637 CB PHE A 42 -0.870 6.097 2.314 1.00 0.13 C ATOM 638 CG PHE A 42 -0.892 4.595 2.189 1.00 0.11 C ATOM 639 CD1 PHE A 42 -1.582 3.993 1.123 1.00 0.11 C ATOM 640 CD2 PHE A 42 -0.216 3.797 3.132 1.00 0.11 C ATOM 641 CE1 PHE A 42 -1.596 2.594 0.997 1.00 0.11 C ATOM 642 CE2 PHE A 42 -0.232 2.394 3.008 1.00 0.10 C ATOM 643 CZ PHE A 42 -0.923 1.793 1.939 1.00 0.10 C ATOM 0 H PHE A 42 -1.299 8.518 2.714 1.00 0.10 H new ATOM 0 HA PHE A 42 -3.010 6.414 2.280 1.00 0.11 H new ATOM 0 HB2 PHE A 42 -0.745 6.551 1.331 1.00 0.13 H new ATOM 0 HB3 PHE A 42 -0.018 6.408 2.919 1.00 0.13 H new ATOM 0 HD1 PHE A 42 -2.101 4.606 0.401 1.00 0.11 H new ATOM 0 HD2 PHE A 42 0.315 4.261 3.950 1.00 0.11 H new ATOM 0 HE1 PHE A 42 -2.124 2.132 0.176 1.00 0.11 H new ATOM 0 HE2 PHE A 42 0.285 1.781 3.731 1.00 0.10 H new ATOM 0 HZ PHE A 42 -0.937 0.718 1.841 1.00 0.10 H new ATOM 653 N HIS A 43 -1.600 5.956 5.242 1.00 0.14 N ATOM 654 CA HIS A 43 -1.829 5.222 6.523 1.00 0.16 C ATOM 655 C HIS A 43 -3.079 5.780 7.223 1.00 0.16 C ATOM 656 O HIS A 43 -3.788 5.062 7.901 1.00 0.18 O ATOM 657 CB HIS A 43 -0.566 5.340 7.410 1.00 0.21 C ATOM 658 CG HIS A 43 -0.912 5.268 8.878 1.00 0.27 C ATOM 659 ND1 HIS A 43 -0.801 4.098 9.613 1.00 0.35 N ATOM 660 CD2 HIS A 43 -1.379 6.219 9.752 1.00 0.31 C ATOM 661 CE1 HIS A 43 -1.196 4.372 10.871 1.00 0.41 C ATOM 662 NE2 HIS A 43 -1.559 5.651 11.010 1.00 0.39 N ATOM 0 H HIS A 43 -0.769 6.547 5.221 1.00 0.14 H new ATOM 0 HA HIS A 43 -2.007 4.164 6.329 1.00 0.16 H new ATOM 0 HB2 HIS A 43 0.131 4.541 7.160 1.00 0.21 H new ATOM 0 HB3 HIS A 43 -0.060 6.282 7.200 1.00 0.21 H new ATOM 0 HD2 HIS A 43 -1.577 7.251 9.501 1.00 0.31 H new ATOM 0 HE1 HIS A 43 -1.217 3.646 11.671 1.00 0.41 H new ATOM 0 HE2 HIS A 43 -1.895 6.111 11.856 1.00 0.39 H new ATOM 670 N SER A 44 -3.360 7.046 7.070 1.00 0.20 N ATOM 671 CA SER A 44 -4.565 7.622 7.735 1.00 0.25 C ATOM 672 C SER A 44 -5.840 6.984 7.166 1.00 0.20 C ATOM 673 O SER A 44 -6.766 6.684 7.893 1.00 0.21 O ATOM 674 CB SER A 44 -4.607 9.131 7.509 1.00 0.34 C ATOM 675 OG SER A 44 -5.922 9.608 7.758 1.00 0.97 O ATOM 0 H SER A 44 -2.811 7.704 6.516 1.00 0.20 H new ATOM 0 HA SER A 44 -4.509 7.415 8.804 1.00 0.25 H new ATOM 0 HB2 SER A 44 -3.896 9.629 8.169 1.00 0.34 H new ATOM 0 HB3 SER A 44 -4.311 9.365 6.487 1.00 0.34 H new ATOM 0 HG SER A 44 -5.951 10.577 7.615 1.00 0.97 H new ATOM 681 N LEU A 45 -5.906 6.780 5.876 1.00 0.18 N ATOM 682 CA LEU A 45 -7.135 6.170 5.285 1.00 0.18 C ATOM 683 C LEU A 45 -7.508 4.910 6.070 1.00 0.16 C ATOM 684 O LEU A 45 -8.599 4.390 5.941 1.00 0.23 O ATOM 685 CB LEU A 45 -6.885 5.791 3.816 1.00 0.19 C ATOM 686 CG LEU A 45 -6.451 7.020 2.999 1.00 0.26 C ATOM 687 CD1 LEU A 45 -6.360 6.629 1.521 1.00 0.28 C ATOM 688 CD2 LEU A 45 -7.469 8.160 3.164 1.00 0.50 C ATOM 0 H LEU A 45 -5.168 7.007 5.210 1.00 0.18 H new ATOM 0 HA LEU A 45 -7.948 6.895 5.336 1.00 0.18 H new ATOM 0 HB2 LEU A 45 -6.115 5.022 3.761 1.00 0.19 H new ATOM 0 HB3 LEU A 45 -7.792 5.365 3.387 1.00 0.19 H new ATOM 0 HG LEU A 45 -5.480 7.363 3.357 1.00 0.26 H new ATOM 0 HD11 LEU A 45 -6.053 7.495 0.934 1.00 0.28 H new ATOM 0 HD12 LEU A 45 -5.628 5.830 1.400 1.00 0.28 H new ATOM 0 HD13 LEU A 45 -7.334 6.283 1.175 1.00 0.28 H new ATOM 0 HD21 LEU A 45 -7.148 9.022 2.580 1.00 0.50 H new ATOM 0 HD22 LEU A 45 -8.447 7.828 2.814 1.00 0.50 H new ATOM 0 HD23 LEU A 45 -7.536 8.439 4.216 1.00 0.50 H new ATOM 700 N SER A 46 -6.617 4.415 6.882 1.00 0.20 N ATOM 701 CA SER A 46 -6.933 3.191 7.671 1.00 0.25 C ATOM 702 C SER A 46 -8.182 3.434 8.521 1.00 0.17 C ATOM 703 O SER A 46 -8.974 2.541 8.748 1.00 0.15 O ATOM 704 CB SER A 46 -5.755 2.851 8.586 1.00 0.36 C ATOM 705 OG SER A 46 -4.564 2.785 7.814 1.00 0.51 O ATOM 0 H SER A 46 -5.686 4.803 7.034 1.00 0.20 H new ATOM 0 HA SER A 46 -7.115 2.361 6.988 1.00 0.25 H new ATOM 0 HB2 SER A 46 -5.655 3.606 9.365 1.00 0.36 H new ATOM 0 HB3 SER A 46 -5.931 1.899 9.086 1.00 0.36 H new ATOM 0 HG SER A 46 -3.939 3.476 8.117 1.00 0.51 H new ATOM 711 N GLU A 47 -8.362 4.637 9.004 1.00 0.21 N ATOM 712 CA GLU A 47 -9.557 4.940 9.852 1.00 0.21 C ATOM 713 C GLU A 47 -10.678 5.526 8.990 1.00 0.18 C ATOM 714 O GLU A 47 -11.825 5.554 9.388 1.00 0.18 O ATOM 715 CB GLU A 47 -9.164 5.953 10.930 1.00 0.32 C ATOM 716 CG GLU A 47 -7.809 5.566 11.522 1.00 0.39 C ATOM 717 CD GLU A 47 -7.536 6.410 12.767 1.00 1.24 C ATOM 718 OE1 GLU A 47 -8.489 6.752 13.448 1.00 2.00 O ATOM 719 OE2 GLU A 47 -6.378 6.701 13.020 1.00 1.98 O ATOM 0 H GLU A 47 -7.733 5.424 8.848 1.00 0.21 H new ATOM 0 HA GLU A 47 -9.910 4.020 10.317 1.00 0.21 H new ATOM 0 HB2 GLU A 47 -9.114 6.954 10.502 1.00 0.32 H new ATOM 0 HB3 GLU A 47 -9.921 5.979 11.713 1.00 0.32 H new ATOM 0 HG2 GLU A 47 -7.802 4.507 11.779 1.00 0.39 H new ATOM 0 HG3 GLU A 47 -7.021 5.720 10.785 1.00 0.39 H new ATOM 726 N LYS A 48 -10.361 5.997 7.813 1.00 0.18 N ATOM 727 CA LYS A 48 -11.419 6.581 6.936 1.00 0.17 C ATOM 728 C LYS A 48 -12.015 5.473 6.065 1.00 0.15 C ATOM 729 O LYS A 48 -13.121 5.586 5.572 1.00 0.18 O ATOM 730 CB LYS A 48 -10.799 7.661 6.042 1.00 0.21 C ATOM 731 CG LYS A 48 -11.901 8.555 5.468 1.00 0.26 C ATOM 732 CD LYS A 48 -11.269 9.692 4.664 1.00 1.09 C ATOM 733 CE LYS A 48 -12.347 10.708 4.279 1.00 1.51 C ATOM 734 NZ LYS A 48 -13.333 10.065 3.364 1.00 2.16 N ATOM 0 H LYS A 48 -9.419 6.003 7.422 1.00 0.18 H new ATOM 0 HA LYS A 48 -12.203 7.026 7.548 1.00 0.17 H new ATOM 0 HB2 LYS A 48 -10.094 8.261 6.617 1.00 0.21 H new ATOM 0 HB3 LYS A 48 -10.236 7.197 5.232 1.00 0.21 H new ATOM 0 HG2 LYS A 48 -12.564 7.970 4.831 1.00 0.26 H new ATOM 0 HG3 LYS A 48 -12.511 8.961 6.275 1.00 0.26 H new ATOM 0 HD2 LYS A 48 -10.490 10.178 5.252 1.00 1.09 H new ATOM 0 HD3 LYS A 48 -10.791 9.296 3.768 1.00 1.09 H new ATOM 0 HE2 LYS A 48 -12.851 11.076 5.173 1.00 1.51 H new ATOM 0 HE3 LYS A 48 -11.892 11.570 3.792 1.00 1.51 H new ATOM 0 HZ1 LYS A 48 -13.943 10.795 2.943 1.00 2.16 H new ATOM 0 HZ2 LYS A 48 -12.827 9.558 2.609 1.00 2.16 H new ATOM 0 HZ3 LYS A 48 -13.918 9.393 3.901 1.00 2.16 H new ATOM 748 N TYR A 49 -11.288 4.400 5.879 1.00 0.13 N ATOM 749 CA TYR A 49 -11.797 3.265 5.048 1.00 0.13 C ATOM 750 C TYR A 49 -11.497 1.947 5.762 1.00 0.11 C ATOM 751 O TYR A 49 -10.638 1.190 5.354 1.00 0.11 O ATOM 752 CB TYR A 49 -11.104 3.282 3.680 1.00 0.15 C ATOM 753 CG TYR A 49 -11.755 4.319 2.798 1.00 0.16 C ATOM 754 CD1 TYR A 49 -13.024 4.065 2.246 1.00 0.19 C ATOM 755 CD2 TYR A 49 -11.101 5.538 2.532 1.00 0.17 C ATOM 756 CE1 TYR A 49 -13.641 5.026 1.428 1.00 0.21 C ATOM 757 CE2 TYR A 49 -11.718 6.502 1.714 1.00 0.20 C ATOM 758 CZ TYR A 49 -12.989 6.247 1.160 1.00 0.21 C ATOM 759 OH TYR A 49 -13.595 7.193 0.358 1.00 0.24 O ATOM 0 H TYR A 49 -10.356 4.260 6.270 1.00 0.13 H new ATOM 0 HA TYR A 49 -12.873 3.366 4.906 1.00 0.13 H new ATOM 0 HB2 TYR A 49 -10.044 3.505 3.800 1.00 0.15 H new ATOM 0 HB3 TYR A 49 -11.172 2.299 3.214 1.00 0.15 H new ATOM 0 HD1 TYR A 49 -13.524 3.130 2.451 1.00 0.19 H new ATOM 0 HD2 TYR A 49 -10.127 5.732 2.956 1.00 0.17 H new ATOM 0 HE1 TYR A 49 -14.615 4.830 1.004 1.00 0.21 H new ATOM 0 HE2 TYR A 49 -11.218 7.437 1.510 1.00 0.20 H new ATOM 0 HH TYR A 49 -13.011 7.976 0.277 1.00 0.24 H new ATOM 769 N SER A 50 -12.199 1.664 6.820 1.00 0.12 N ATOM 770 CA SER A 50 -11.959 0.395 7.556 1.00 0.13 C ATOM 771 C SER A 50 -12.373 -0.783 6.674 1.00 0.13 C ATOM 772 O SER A 50 -12.205 -1.933 7.032 1.00 0.14 O ATOM 773 CB SER A 50 -12.786 0.389 8.840 1.00 0.16 C ATOM 774 OG SER A 50 -14.169 0.432 8.510 1.00 0.17 O ATOM 0 H SER A 50 -12.931 2.259 7.208 1.00 0.12 H new ATOM 0 HA SER A 50 -10.902 0.309 7.807 1.00 0.13 H new ATOM 0 HB2 SER A 50 -12.567 -0.506 9.423 1.00 0.16 H new ATOM 0 HB3 SER A 50 -12.522 1.246 9.460 1.00 0.16 H new ATOM 0 HG SER A 50 -14.702 0.426 9.332 1.00 0.17 H new ATOM 780 N ASN A 51 -12.923 -0.505 5.520 1.00 0.13 N ATOM 781 CA ASN A 51 -13.362 -1.598 4.602 1.00 0.15 C ATOM 782 C ASN A 51 -12.274 -1.870 3.562 1.00 0.13 C ATOM 783 O ASN A 51 -12.395 -2.765 2.748 1.00 0.14 O ATOM 784 CB ASN A 51 -14.645 -1.165 3.890 1.00 0.17 C ATOM 785 CG ASN A 51 -15.161 -2.316 3.023 1.00 0.20 C ATOM 786 OD1 ASN A 51 -16.041 -3.049 3.426 1.00 0.34 O ATOM 787 ND2 ASN A 51 -14.645 -2.504 1.839 1.00 0.32 N ATOM 0 H ASN A 51 -13.088 0.440 5.172 1.00 0.13 H new ATOM 0 HA ASN A 51 -13.543 -2.506 5.177 1.00 0.15 H new ATOM 0 HB2 ASN A 51 -15.401 -0.880 4.622 1.00 0.17 H new ATOM 0 HB3 ASN A 51 -14.452 -0.288 3.272 1.00 0.17 H new ATOM 0 HD21 ASN A 51 -14.981 -3.267 1.252 1.00 0.32 H new ATOM 0 HD22 ASN A 51 -13.906 -1.888 1.501 1.00 0.32 H new ATOM 794 N VAL A 52 -11.210 -1.105 3.584 1.00 0.11 N ATOM 795 CA VAL A 52 -10.097 -1.305 2.600 1.00 0.10 C ATOM 796 C VAL A 52 -8.843 -1.765 3.341 1.00 0.10 C ATOM 797 O VAL A 52 -8.616 -1.413 4.481 1.00 0.11 O ATOM 798 CB VAL A 52 -9.797 0.016 1.899 1.00 0.11 C ATOM 799 CG1 VAL A 52 -8.607 -0.163 0.953 1.00 0.12 C ATOM 800 CG2 VAL A 52 -11.028 0.461 1.104 1.00 0.12 C ATOM 0 H VAL A 52 -11.063 -0.344 4.247 1.00 0.11 H new ATOM 0 HA VAL A 52 -10.393 -2.056 1.867 1.00 0.10 H new ATOM 0 HB VAL A 52 -9.552 0.775 2.642 1.00 0.11 H new ATOM 0 HG11 VAL A 52 -8.394 0.782 0.453 1.00 0.12 H new ATOM 0 HG12 VAL A 52 -7.733 -0.477 1.523 1.00 0.12 H new ATOM 0 HG13 VAL A 52 -8.845 -0.922 0.208 1.00 0.12 H new ATOM 0 HG21 VAL A 52 -10.815 1.405 0.602 1.00 0.12 H new ATOM 0 HG22 VAL A 52 -11.275 -0.297 0.361 1.00 0.12 H new ATOM 0 HG23 VAL A 52 -11.871 0.592 1.782 1.00 0.12 H new ATOM 810 N ILE A 53 -8.031 -2.559 2.700 1.00 0.09 N ATOM 811 CA ILE A 53 -6.787 -3.067 3.351 1.00 0.09 C ATOM 812 C ILE A 53 -5.582 -2.244 2.870 1.00 0.09 C ATOM 813 O ILE A 53 -5.376 -2.069 1.686 1.00 0.14 O ATOM 814 CB ILE A 53 -6.586 -4.529 2.944 1.00 0.09 C ATOM 815 CG1 ILE A 53 -7.910 -5.315 3.076 1.00 0.10 C ATOM 816 CG2 ILE A 53 -5.486 -5.169 3.797 1.00 0.11 C ATOM 817 CD1 ILE A 53 -8.639 -5.011 4.400 1.00 0.17 C ATOM 0 H ILE A 53 -8.176 -2.882 1.743 1.00 0.09 H new ATOM 0 HA ILE A 53 -6.875 -2.983 4.434 1.00 0.09 H new ATOM 0 HB ILE A 53 -6.275 -4.562 1.900 1.00 0.09 H new ATOM 0 HG12 ILE A 53 -8.563 -5.067 2.239 1.00 0.10 H new ATOM 0 HG13 ILE A 53 -7.704 -6.384 3.014 1.00 0.10 H new ATOM 0 HG21 ILE A 53 -5.352 -6.209 3.498 1.00 0.11 H new ATOM 0 HG22 ILE A 53 -4.552 -4.627 3.652 1.00 0.11 H new ATOM 0 HG23 ILE A 53 -5.770 -5.127 4.848 1.00 0.11 H new ATOM 0 HD11 ILE A 53 -9.563 -5.587 4.447 1.00 0.17 H new ATOM 0 HD12 ILE A 53 -7.999 -5.284 5.239 1.00 0.17 H new ATOM 0 HD13 ILE A 53 -8.871 -3.947 4.452 1.00 0.17 H new ATOM 829 N PHE A 54 -4.785 -1.746 3.783 1.00 0.08 N ATOM 830 CA PHE A 54 -3.580 -0.935 3.403 1.00 0.08 C ATOM 831 C PHE A 54 -2.317 -1.660 3.874 1.00 0.08 C ATOM 832 O PHE A 54 -2.211 -2.056 5.016 1.00 0.11 O ATOM 833 CB PHE A 54 -3.652 0.432 4.086 1.00 0.08 C ATOM 834 CG PHE A 54 -4.848 1.194 3.565 1.00 0.08 C ATOM 835 CD1 PHE A 54 -4.846 1.682 2.246 1.00 0.09 C ATOM 836 CD2 PHE A 54 -5.963 1.416 4.397 1.00 0.09 C ATOM 837 CE1 PHE A 54 -5.959 2.393 1.756 1.00 0.10 C ATOM 838 CE2 PHE A 54 -7.075 2.126 3.908 1.00 0.09 C ATOM 839 CZ PHE A 54 -7.073 2.615 2.587 1.00 0.09 C ATOM 0 H PHE A 54 -4.917 -1.867 4.787 1.00 0.08 H new ATOM 0 HA PHE A 54 -3.554 -0.806 2.321 1.00 0.08 H new ATOM 0 HB2 PHE A 54 -3.730 0.307 5.166 1.00 0.08 H new ATOM 0 HB3 PHE A 54 -2.738 0.994 3.895 1.00 0.08 H new ATOM 0 HD1 PHE A 54 -3.991 1.512 1.609 1.00 0.09 H new ATOM 0 HD2 PHE A 54 -5.964 1.041 5.410 1.00 0.09 H new ATOM 0 HE1 PHE A 54 -5.957 2.768 0.743 1.00 0.10 H new ATOM 0 HE2 PHE A 54 -7.930 2.296 4.545 1.00 0.09 H new ATOM 0 HZ PHE A 54 -7.926 3.160 2.212 1.00 0.09 H new ATOM 849 N LEU A 55 -1.359 -1.835 3.000 1.00 0.08 N ATOM 850 CA LEU A 55 -0.088 -2.535 3.376 1.00 0.09 C ATOM 851 C LEU A 55 1.062 -1.524 3.356 1.00 0.09 C ATOM 852 O LEU A 55 0.893 -0.383 2.974 1.00 0.10 O ATOM 853 CB LEU A 55 0.206 -3.646 2.353 1.00 0.10 C ATOM 854 CG LEU A 55 -0.605 -4.914 2.667 1.00 0.11 C ATOM 855 CD1 LEU A 55 -2.096 -4.573 2.817 1.00 0.12 C ATOM 856 CD2 LEU A 55 -0.409 -5.918 1.523 1.00 0.12 C ATOM 0 H LEU A 55 -1.401 -1.520 2.031 1.00 0.08 H new ATOM 0 HA LEU A 55 -0.189 -2.969 4.371 1.00 0.09 H new ATOM 0 HB2 LEU A 55 -0.036 -3.295 1.350 1.00 0.10 H new ATOM 0 HB3 LEU A 55 1.271 -3.880 2.361 1.00 0.10 H new ATOM 0 HG LEU A 55 -0.258 -5.346 3.606 1.00 0.11 H new ATOM 0 HD11 LEU A 55 -2.656 -5.481 3.039 1.00 0.12 H new ATOM 0 HD12 LEU A 55 -2.226 -3.859 3.630 1.00 0.12 H new ATOM 0 HD13 LEU A 55 -2.465 -4.137 1.889 1.00 0.12 H new ATOM 0 HD21 LEU A 55 -0.979 -6.823 1.732 1.00 0.12 H new ATOM 0 HD22 LEU A 55 -0.757 -5.478 0.589 1.00 0.12 H new ATOM 0 HD23 LEU A 55 0.648 -6.167 1.435 1.00 0.12 H new ATOM 868 N GLU A 56 2.233 -1.941 3.755 1.00 0.09 N ATOM 869 CA GLU A 56 3.411 -1.020 3.754 1.00 0.09 C ATOM 870 C GLU A 56 4.650 -1.829 3.364 1.00 0.09 C ATOM 871 O GLU A 56 4.753 -2.999 3.673 1.00 0.10 O ATOM 872 CB GLU A 56 3.593 -0.420 5.154 1.00 0.09 C ATOM 873 CG GLU A 56 4.504 0.813 5.086 1.00 0.11 C ATOM 874 CD GLU A 56 4.402 1.597 6.397 1.00 0.53 C ATOM 875 OE1 GLU A 56 3.289 1.856 6.824 1.00 1.24 O ATOM 876 OE2 GLU A 56 5.439 1.926 6.950 1.00 1.31 O ATOM 0 H GLU A 56 2.428 -2.887 4.084 1.00 0.09 H new ATOM 0 HA GLU A 56 3.259 -0.207 3.044 1.00 0.09 H new ATOM 0 HB2 GLU A 56 2.624 -0.143 5.568 1.00 0.09 H new ATOM 0 HB3 GLU A 56 4.025 -1.164 5.824 1.00 0.09 H new ATOM 0 HG2 GLU A 56 5.536 0.507 4.912 1.00 0.11 H new ATOM 0 HG3 GLU A 56 4.214 1.447 4.248 1.00 0.11 H new ATOM 883 N VAL A 57 5.582 -1.228 2.665 1.00 0.08 N ATOM 884 CA VAL A 57 6.799 -1.987 2.235 1.00 0.08 C ATOM 885 C VAL A 57 8.046 -1.101 2.305 1.00 0.09 C ATOM 886 O VAL A 57 8.031 0.051 1.912 1.00 0.14 O ATOM 887 CB VAL A 57 6.605 -2.454 0.790 1.00 0.09 C ATOM 888 CG1 VAL A 57 7.862 -3.185 0.319 1.00 0.10 C ATOM 889 CG2 VAL A 57 5.407 -3.400 0.708 1.00 0.09 C ATOM 0 H VAL A 57 5.554 -0.251 2.375 1.00 0.08 H new ATOM 0 HA VAL A 57 6.936 -2.839 2.902 1.00 0.08 H new ATOM 0 HB VAL A 57 6.424 -1.588 0.153 1.00 0.09 H new ATOM 0 HG11 VAL A 57 7.725 -3.518 -0.710 1.00 0.10 H new ATOM 0 HG12 VAL A 57 8.716 -2.510 0.371 1.00 0.10 H new ATOM 0 HG13 VAL A 57 8.042 -4.049 0.959 1.00 0.10 H new ATOM 0 HG21 VAL A 57 5.273 -3.729 -0.322 1.00 0.09 H new ATOM 0 HG22 VAL A 57 5.583 -4.266 1.346 1.00 0.09 H new ATOM 0 HG23 VAL A 57 4.509 -2.880 1.042 1.00 0.09 H new ATOM 899 N ASP A 58 9.137 -1.653 2.782 1.00 0.09 N ATOM 900 CA ASP A 58 10.417 -0.882 2.862 1.00 0.09 C ATOM 901 C ASP A 58 11.275 -1.255 1.647 1.00 0.10 C ATOM 902 O ASP A 58 11.838 -2.329 1.577 1.00 0.11 O ATOM 903 CB ASP A 58 11.159 -1.249 4.154 1.00 0.11 C ATOM 904 CG ASP A 58 12.225 -0.192 4.452 1.00 0.13 C ATOM 905 OD1 ASP A 58 11.854 0.944 4.695 1.00 1.08 O ATOM 906 OD2 ASP A 58 13.395 -0.537 4.431 1.00 1.06 O ATOM 0 H ASP A 58 9.195 -2.613 3.122 1.00 0.09 H new ATOM 0 HA ASP A 58 10.215 0.189 2.866 1.00 0.09 H new ATOM 0 HB2 ASP A 58 10.455 -1.314 4.984 1.00 0.11 H new ATOM 0 HB3 ASP A 58 11.623 -2.230 4.052 1.00 0.11 H new ATOM 911 N VAL A 59 11.351 -0.386 0.679 1.00 0.12 N ATOM 912 CA VAL A 59 12.139 -0.691 -0.553 1.00 0.15 C ATOM 913 C VAL A 59 13.617 -0.937 -0.227 1.00 0.18 C ATOM 914 O VAL A 59 14.395 -1.257 -1.104 1.00 0.27 O ATOM 915 CB VAL A 59 12.031 0.489 -1.519 1.00 0.19 C ATOM 916 CG1 VAL A 59 10.590 0.610 -2.018 1.00 0.19 C ATOM 917 CG2 VAL A 59 12.429 1.777 -0.794 1.00 0.22 C ATOM 0 H VAL A 59 10.899 0.529 0.686 1.00 0.12 H new ATOM 0 HA VAL A 59 11.733 -1.597 -1.003 1.00 0.15 H new ATOM 0 HB VAL A 59 12.696 0.327 -2.367 1.00 0.19 H new ATOM 0 HG11 VAL A 59 10.513 1.451 -2.707 1.00 0.19 H new ATOM 0 HG12 VAL A 59 10.305 -0.308 -2.533 1.00 0.19 H new ATOM 0 HG13 VAL A 59 9.924 0.773 -1.171 1.00 0.19 H new ATOM 0 HG21 VAL A 59 12.353 2.620 -1.481 1.00 0.22 H new ATOM 0 HG22 VAL A 59 11.763 1.938 0.053 1.00 0.22 H new ATOM 0 HG23 VAL A 59 13.455 1.691 -0.437 1.00 0.22 H new ATOM 927 N ASP A 60 14.020 -0.779 1.010 1.00 0.16 N ATOM 928 CA ASP A 60 15.464 -0.990 1.371 1.00 0.18 C ATOM 929 C ASP A 60 15.634 -2.252 2.220 1.00 0.17 C ATOM 930 O ASP A 60 16.552 -3.021 2.022 1.00 0.18 O ATOM 931 CB ASP A 60 15.953 0.213 2.169 1.00 0.21 C ATOM 932 CG ASP A 60 16.012 1.434 1.253 1.00 0.24 C ATOM 933 OD1 ASP A 60 16.907 1.485 0.428 1.00 1.08 O ATOM 934 OD2 ASP A 60 15.158 2.293 1.387 1.00 1.11 O ATOM 0 H ASP A 60 13.415 -0.513 1.787 1.00 0.16 H new ATOM 0 HA ASP A 60 16.042 -1.105 0.454 1.00 0.18 H new ATOM 0 HB2 ASP A 60 15.283 0.405 3.007 1.00 0.21 H new ATOM 0 HB3 ASP A 60 16.939 0.010 2.588 1.00 0.21 H new ATOM 939 N ASP A 61 14.769 -2.466 3.174 1.00 0.17 N ATOM 940 CA ASP A 61 14.895 -3.672 4.045 1.00 0.17 C ATOM 941 C ASP A 61 14.061 -4.817 3.452 1.00 0.16 C ATOM 942 O ASP A 61 14.193 -5.958 3.849 1.00 0.18 O ATOM 943 CB ASP A 61 14.406 -3.314 5.459 1.00 0.19 C ATOM 944 CG ASP A 61 14.109 -4.585 6.264 1.00 0.22 C ATOM 945 OD1 ASP A 61 13.075 -5.186 6.025 1.00 1.07 O ATOM 946 OD2 ASP A 61 14.923 -4.932 7.105 1.00 1.12 O ATOM 0 H ASP A 61 13.979 -1.858 3.389 1.00 0.17 H new ATOM 0 HA ASP A 61 15.934 -3.996 4.100 1.00 0.17 H new ATOM 0 HB2 ASP A 61 15.163 -2.720 5.972 1.00 0.19 H new ATOM 0 HB3 ASP A 61 13.508 -2.699 5.395 1.00 0.19 H new ATOM 951 N ALA A 62 13.219 -4.518 2.494 1.00 0.16 N ATOM 952 CA ALA A 62 12.380 -5.578 1.844 1.00 0.16 C ATOM 953 C ALA A 62 12.605 -5.525 0.331 1.00 0.16 C ATOM 954 O ALA A 62 11.675 -5.565 -0.450 1.00 0.15 O ATOM 955 CB ALA A 62 10.902 -5.317 2.150 1.00 0.17 C ATOM 0 H ALA A 62 13.074 -3.576 2.130 1.00 0.16 H new ATOM 0 HA ALA A 62 12.658 -6.560 2.227 1.00 0.16 H new ATOM 0 HB1 ALA A 62 10.291 -6.087 1.678 1.00 0.17 H new ATOM 0 HB2 ALA A 62 10.744 -5.339 3.228 1.00 0.17 H new ATOM 0 HB3 ALA A 62 10.617 -4.339 1.762 1.00 0.17 H new ATOM 961 N GLN A 63 13.839 -5.421 -0.082 1.00 0.20 N ATOM 962 CA GLN A 63 14.145 -5.350 -1.540 1.00 0.22 C ATOM 963 C GLN A 63 13.568 -6.568 -2.268 1.00 0.20 C ATOM 964 O GLN A 63 13.500 -6.597 -3.481 1.00 0.20 O ATOM 965 CB GLN A 63 15.662 -5.313 -1.736 1.00 0.29 C ATOM 966 CG GLN A 63 16.264 -4.223 -0.846 1.00 0.90 C ATOM 967 CD GLN A 63 17.743 -4.042 -1.191 1.00 1.53 C ATOM 968 OE1 GLN A 63 18.527 -4.962 -1.064 1.00 2.17 O ATOM 969 NE2 GLN A 63 18.162 -2.884 -1.625 1.00 2.22 N ATOM 0 H GLN A 63 14.653 -5.382 0.531 1.00 0.20 H new ATOM 0 HA GLN A 63 13.693 -4.448 -1.952 1.00 0.22 H new ATOM 0 HB2 GLN A 63 16.095 -6.282 -1.487 1.00 0.29 H new ATOM 0 HB3 GLN A 63 15.900 -5.117 -2.781 1.00 0.29 H new ATOM 0 HG2 GLN A 63 15.729 -3.284 -0.990 1.00 0.90 H new ATOM 0 HG3 GLN A 63 16.155 -4.495 0.204 1.00 0.90 H new ATOM 0 HE21 GLN A 63 17.505 -2.111 -1.732 1.00 2.22 H new ATOM 0 HE22 GLN A 63 19.146 -2.752 -1.857 1.00 2.22 H new ATOM 978 N ASP A 64 13.154 -7.575 -1.549 1.00 0.19 N ATOM 979 CA ASP A 64 12.590 -8.778 -2.222 1.00 0.20 C ATOM 980 C ASP A 64 11.235 -8.425 -2.833 1.00 0.17 C ATOM 981 O ASP A 64 10.910 -8.838 -3.929 1.00 0.19 O ATOM 982 CB ASP A 64 12.420 -9.903 -1.195 1.00 0.22 C ATOM 983 CG ASP A 64 11.909 -9.319 0.124 1.00 0.23 C ATOM 984 OD1 ASP A 64 12.710 -8.747 0.845 1.00 1.11 O ATOM 985 OD2 ASP A 64 10.726 -9.453 0.390 1.00 1.09 O ATOM 0 H ASP A 64 13.182 -7.617 -0.530 1.00 0.19 H new ATOM 0 HA ASP A 64 13.266 -9.111 -3.010 1.00 0.20 H new ATOM 0 HB2 ASP A 64 11.719 -10.649 -1.570 1.00 0.22 H new ATOM 0 HB3 ASP A 64 13.371 -10.411 -1.036 1.00 0.22 H new ATOM 990 N VAL A 65 10.443 -7.660 -2.137 1.00 0.15 N ATOM 991 CA VAL A 65 9.114 -7.279 -2.684 1.00 0.16 C ATOM 992 C VAL A 65 9.310 -6.241 -3.792 1.00 0.16 C ATOM 993 O VAL A 65 8.748 -6.347 -4.863 1.00 0.19 O ATOM 994 CB VAL A 65 8.257 -6.691 -1.564 1.00 0.16 C ATOM 995 CG1 VAL A 65 6.792 -6.653 -2.006 1.00 0.19 C ATOM 996 CG2 VAL A 65 8.392 -7.564 -0.313 1.00 0.18 C ATOM 0 H VAL A 65 10.659 -7.283 -1.214 1.00 0.15 H new ATOM 0 HA VAL A 65 8.613 -8.156 -3.094 1.00 0.16 H new ATOM 0 HB VAL A 65 8.592 -5.678 -1.341 1.00 0.16 H new ATOM 0 HG11 VAL A 65 6.181 -6.233 -1.206 1.00 0.19 H new ATOM 0 HG12 VAL A 65 6.697 -6.034 -2.898 1.00 0.19 H new ATOM 0 HG13 VAL A 65 6.453 -7.665 -2.229 1.00 0.19 H new ATOM 0 HG21 VAL A 65 7.782 -7.148 0.489 1.00 0.18 H new ATOM 0 HG22 VAL A 65 8.055 -8.576 -0.537 1.00 0.18 H new ATOM 0 HG23 VAL A 65 9.435 -7.590 0.001 1.00 0.18 H new ATOM 1006 N ALA A 66 10.117 -5.244 -3.544 1.00 0.16 N ATOM 1007 CA ALA A 66 10.364 -4.206 -4.585 1.00 0.18 C ATOM 1008 C ALA A 66 11.028 -4.861 -5.796 1.00 0.19 C ATOM 1009 O ALA A 66 10.830 -4.452 -6.924 1.00 0.20 O ATOM 1010 CB ALA A 66 11.292 -3.129 -4.019 1.00 0.22 C ATOM 0 H ALA A 66 10.616 -5.104 -2.665 1.00 0.16 H new ATOM 0 HA ALA A 66 9.419 -3.751 -4.883 1.00 0.18 H new ATOM 0 HB1 ALA A 66 11.474 -2.369 -4.779 1.00 0.22 H new ATOM 0 HB2 ALA A 66 10.825 -2.667 -3.149 1.00 0.22 H new ATOM 0 HB3 ALA A 66 12.239 -3.582 -3.725 1.00 0.22 H new ATOM 1016 N SER A 67 11.813 -5.880 -5.570 1.00 0.21 N ATOM 1017 CA SER A 67 12.491 -6.566 -6.705 1.00 0.26 C ATOM 1018 C SER A 67 11.439 -7.211 -7.608 1.00 0.26 C ATOM 1019 O SER A 67 11.395 -6.971 -8.798 1.00 0.29 O ATOM 1020 CB SER A 67 13.429 -7.644 -6.163 1.00 0.31 C ATOM 1021 OG SER A 67 14.571 -7.026 -5.585 1.00 1.29 O ATOM 0 H SER A 67 12.013 -6.266 -4.648 1.00 0.21 H new ATOM 0 HA SER A 67 13.068 -5.840 -7.278 1.00 0.26 H new ATOM 0 HB2 SER A 67 12.913 -8.250 -5.418 1.00 0.31 H new ATOM 0 HB3 SER A 67 13.732 -8.316 -6.966 1.00 0.31 H new ATOM 0 HG SER A 67 14.306 -6.539 -4.777 1.00 1.29 H new ATOM 1027 N GLU A 68 10.590 -8.029 -7.049 1.00 0.26 N ATOM 1028 CA GLU A 68 9.541 -8.692 -7.872 1.00 0.30 C ATOM 1029 C GLU A 68 8.594 -7.634 -8.447 1.00 0.31 C ATOM 1030 O GLU A 68 8.017 -7.813 -9.500 1.00 0.36 O ATOM 1031 CB GLU A 68 8.748 -9.666 -6.998 1.00 0.31 C ATOM 1032 CG GLU A 68 7.907 -10.583 -7.887 1.00 0.39 C ATOM 1033 CD GLU A 68 8.823 -11.564 -8.621 1.00 1.43 C ATOM 1034 OE1 GLU A 68 9.251 -12.524 -8.001 1.00 2.20 O ATOM 1035 OE2 GLU A 68 9.082 -11.337 -9.792 1.00 2.19 O ATOM 0 H GLU A 68 10.578 -8.267 -6.057 1.00 0.26 H new ATOM 0 HA GLU A 68 10.013 -9.237 -8.689 1.00 0.30 H new ATOM 0 HB2 GLU A 68 9.428 -10.259 -6.387 1.00 0.31 H new ATOM 0 HB3 GLU A 68 8.103 -9.115 -6.314 1.00 0.31 H new ATOM 0 HG2 GLU A 68 7.183 -11.129 -7.282 1.00 0.39 H new ATOM 0 HG3 GLU A 68 7.341 -9.991 -8.606 1.00 0.39 H new ATOM 1042 N ALA A 69 8.426 -6.533 -7.760 1.00 0.29 N ATOM 1043 CA ALA A 69 7.512 -5.464 -8.267 1.00 0.31 C ATOM 1044 C ALA A 69 8.294 -4.505 -9.168 1.00 0.29 C ATOM 1045 O ALA A 69 7.734 -3.619 -9.781 1.00 0.33 O ATOM 1046 CB ALA A 69 6.933 -4.687 -7.083 1.00 0.31 C ATOM 0 H ALA A 69 8.881 -6.328 -6.871 1.00 0.29 H new ATOM 0 HA ALA A 69 6.703 -5.920 -8.837 1.00 0.31 H new ATOM 0 HB1 ALA A 69 6.266 -3.907 -7.451 1.00 0.31 H new ATOM 0 HB2 ALA A 69 6.375 -5.367 -6.439 1.00 0.31 H new ATOM 0 HB3 ALA A 69 7.744 -4.232 -6.514 1.00 0.31 H new ATOM 1052 N GLU A 70 9.583 -4.681 -9.257 1.00 0.27 N ATOM 1053 CA GLU A 70 10.406 -3.789 -10.122 1.00 0.29 C ATOM 1054 C GLU A 70 10.041 -2.321 -9.868 1.00 0.25 C ATOM 1055 O GLU A 70 9.637 -1.611 -10.767 1.00 0.26 O ATOM 1056 CB GLU A 70 10.148 -4.129 -11.591 1.00 0.38 C ATOM 1057 CG GLU A 70 10.642 -5.549 -11.879 1.00 1.18 C ATOM 1058 CD GLU A 70 10.529 -5.836 -13.378 1.00 1.61 C ATOM 1059 OE1 GLU A 70 10.759 -4.923 -14.154 1.00 2.06 O ATOM 1060 OE2 GLU A 70 10.215 -6.962 -13.723 1.00 2.34 O ATOM 0 H GLU A 70 10.104 -5.407 -8.766 1.00 0.27 H new ATOM 0 HA GLU A 70 11.460 -3.939 -9.886 1.00 0.29 H new ATOM 0 HB2 GLU A 70 9.084 -4.051 -11.812 1.00 0.38 H new ATOM 0 HB3 GLU A 70 10.661 -3.416 -12.236 1.00 0.38 H new ATOM 0 HG2 GLU A 70 11.677 -5.658 -11.554 1.00 1.18 H new ATOM 0 HG3 GLU A 70 10.053 -6.272 -11.314 1.00 1.18 H new ATOM 1067 N VAL A 71 10.192 -1.857 -8.657 1.00 0.22 N ATOM 1068 CA VAL A 71 9.866 -0.431 -8.357 1.00 0.19 C ATOM 1069 C VAL A 71 11.019 0.455 -8.830 1.00 0.23 C ATOM 1070 O VAL A 71 12.173 0.136 -8.629 1.00 0.28 O ATOM 1071 CB VAL A 71 9.668 -0.251 -6.852 1.00 0.18 C ATOM 1072 CG1 VAL A 71 9.144 1.159 -6.584 1.00 0.19 C ATOM 1073 CG2 VAL A 71 8.651 -1.276 -6.344 1.00 0.19 C ATOM 0 H VAL A 71 10.527 -2.402 -7.862 1.00 0.22 H new ATOM 0 HA VAL A 71 8.948 -0.150 -8.874 1.00 0.19 H new ATOM 0 HB VAL A 71 10.617 -0.397 -6.336 1.00 0.18 H new ATOM 0 HG11 VAL A 71 9.000 1.296 -5.512 1.00 0.19 H new ATOM 0 HG12 VAL A 71 9.865 1.891 -6.950 1.00 0.19 H new ATOM 0 HG13 VAL A 71 8.193 1.298 -7.099 1.00 0.19 H new ATOM 0 HG21 VAL A 71 8.510 -1.148 -5.271 1.00 0.19 H new ATOM 0 HG22 VAL A 71 7.700 -1.129 -6.855 1.00 0.19 H new ATOM 0 HG23 VAL A 71 9.018 -2.283 -6.544 1.00 0.19 H new ATOM 1083 N LYS A 72 10.715 1.563 -9.464 1.00 0.24 N ATOM 1084 CA LYS A 72 11.790 2.480 -9.966 1.00 0.29 C ATOM 1085 C LYS A 72 11.590 3.880 -9.383 1.00 0.26 C ATOM 1086 O LYS A 72 12.426 4.748 -9.542 1.00 0.27 O ATOM 1087 CB LYS A 72 11.726 2.555 -11.496 1.00 0.35 C ATOM 1088 CG LYS A 72 11.794 1.144 -12.099 1.00 0.43 C ATOM 1089 CD LYS A 72 13.224 0.597 -12.012 1.00 1.16 C ATOM 1090 CE LYS A 72 13.341 -0.659 -12.879 1.00 1.66 C ATOM 1091 NZ LYS A 72 14.650 -1.320 -12.617 1.00 2.40 N ATOM 0 H LYS A 72 9.763 1.874 -9.657 1.00 0.24 H new ATOM 0 HA LYS A 72 12.762 2.095 -9.658 1.00 0.29 H new ATOM 0 HB2 LYS A 72 10.804 3.047 -11.805 1.00 0.35 H new ATOM 0 HB3 LYS A 72 12.551 3.160 -11.873 1.00 0.35 H new ATOM 0 HG2 LYS A 72 11.111 0.481 -11.568 1.00 0.43 H new ATOM 0 HG3 LYS A 72 11.470 1.170 -13.139 1.00 0.43 H new ATOM 0 HD2 LYS A 72 13.935 1.352 -12.348 1.00 1.16 H new ATOM 0 HD3 LYS A 72 13.473 0.363 -10.977 1.00 1.16 H new ATOM 0 HE2 LYS A 72 12.524 -1.345 -12.657 1.00 1.66 H new ATOM 0 HE3 LYS A 72 13.259 -0.396 -13.933 1.00 1.66 H new ATOM 0 HZ1 LYS A 72 14.732 -2.174 -13.205 1.00 2.40 H new ATOM 0 HZ2 LYS A 72 15.423 -0.664 -12.850 1.00 2.40 H new ATOM 0 HZ3 LYS A 72 14.711 -1.584 -11.613 1.00 2.40 H new ATOM 1105 N ALA A 73 10.496 4.116 -8.707 1.00 0.22 N ATOM 1106 CA ALA A 73 10.269 5.474 -8.115 1.00 0.20 C ATOM 1107 C ALA A 73 9.340 5.366 -6.898 1.00 0.18 C ATOM 1108 O ALA A 73 8.308 4.729 -6.952 1.00 0.16 O ATOM 1109 CB ALA A 73 9.643 6.397 -9.177 1.00 0.21 C ATOM 0 H ALA A 73 9.754 3.436 -8.539 1.00 0.22 H new ATOM 0 HA ALA A 73 11.222 5.892 -7.792 1.00 0.20 H new ATOM 0 HB1 ALA A 73 9.477 7.385 -8.748 1.00 0.21 H new ATOM 0 HB2 ALA A 73 10.317 6.480 -10.030 1.00 0.21 H new ATOM 0 HB3 ALA A 73 8.691 5.980 -9.506 1.00 0.21 H new ATOM 1115 N THR A 74 9.704 5.995 -5.801 1.00 0.18 N ATOM 1116 CA THR A 74 8.853 5.950 -4.566 1.00 0.17 C ATOM 1117 C THR A 74 8.255 7.354 -4.339 1.00 0.17 C ATOM 1118 O THR A 74 8.881 8.330 -4.700 1.00 0.19 O ATOM 1119 CB THR A 74 9.735 5.597 -3.343 1.00 0.19 C ATOM 1120 OG1 THR A 74 10.975 6.278 -3.462 1.00 0.22 O ATOM 1121 CG2 THR A 74 10.012 4.080 -3.242 1.00 0.19 C ATOM 0 H THR A 74 10.561 6.541 -5.709 1.00 0.18 H new ATOM 0 HA THR A 74 8.068 5.204 -4.685 1.00 0.17 H new ATOM 0 HB THR A 74 9.198 5.902 -2.445 1.00 0.19 H new ATOM 0 HG1 THR A 74 11.542 6.063 -2.692 1.00 0.22 H new ATOM 0 HG21 THR A 74 10.634 3.881 -2.369 1.00 0.19 H new ATOM 0 HG22 THR A 74 9.068 3.543 -3.145 1.00 0.19 H new ATOM 0 HG23 THR A 74 10.529 3.744 -4.141 1.00 0.19 H new ATOM 1129 N PRO A 75 7.091 7.443 -3.721 1.00 0.17 N ATOM 1130 CA PRO A 75 6.287 6.284 -3.261 1.00 0.16 C ATOM 1131 C PRO A 75 5.572 5.626 -4.451 1.00 0.14 C ATOM 1132 O PRO A 75 5.139 6.295 -5.369 1.00 0.14 O ATOM 1133 CB PRO A 75 5.263 6.898 -2.277 1.00 0.17 C ATOM 1134 CG PRO A 75 5.340 8.445 -2.434 1.00 0.20 C ATOM 1135 CD PRO A 75 6.501 8.756 -3.404 1.00 0.19 C ATOM 0 HA PRO A 75 6.894 5.507 -2.796 1.00 0.16 H new ATOM 0 HB2 PRO A 75 4.257 6.539 -2.496 1.00 0.17 H new ATOM 0 HB3 PRO A 75 5.491 6.604 -1.252 1.00 0.17 H new ATOM 0 HG2 PRO A 75 4.400 8.838 -2.822 1.00 0.20 H new ATOM 0 HG3 PRO A 75 5.510 8.920 -1.468 1.00 0.20 H new ATOM 0 HD2 PRO A 75 6.141 9.255 -4.304 1.00 0.19 H new ATOM 0 HD3 PRO A 75 7.234 9.418 -2.943 1.00 0.19 H new ATOM 1143 N THR A 76 5.439 4.318 -4.432 1.00 0.13 N ATOM 1144 CA THR A 76 4.743 3.603 -5.555 1.00 0.12 C ATOM 1145 C THR A 76 3.469 2.965 -5.008 1.00 0.12 C ATOM 1146 O THR A 76 3.514 2.167 -4.095 1.00 0.18 O ATOM 1147 CB THR A 76 5.656 2.496 -6.117 1.00 0.12 C ATOM 1148 OG1 THR A 76 6.996 2.960 -6.125 1.00 0.13 O ATOM 1149 CG2 THR A 76 5.237 2.149 -7.550 1.00 0.13 C ATOM 0 H THR A 76 5.783 3.713 -3.686 1.00 0.13 H new ATOM 0 HA THR A 76 4.506 4.311 -6.349 1.00 0.12 H new ATOM 0 HB THR A 76 5.570 1.607 -5.492 1.00 0.12 H new ATOM 0 HG1 THR A 76 7.075 3.721 -6.737 1.00 0.13 H new ATOM 0 HG21 THR A 76 5.887 1.366 -7.940 1.00 0.13 H new ATOM 0 HG22 THR A 76 4.205 1.798 -7.552 1.00 0.13 H new ATOM 0 HG23 THR A 76 5.320 3.036 -8.178 1.00 0.13 H new ATOM 1157 N PHE A 77 2.332 3.299 -5.560 1.00 0.09 N ATOM 1158 CA PHE A 77 1.061 2.692 -5.066 1.00 0.09 C ATOM 1159 C PHE A 77 0.677 1.540 -5.975 1.00 0.09 C ATOM 1160 O PHE A 77 0.517 1.696 -7.169 1.00 0.10 O ATOM 1161 CB PHE A 77 -0.059 3.727 -5.060 1.00 0.10 C ATOM 1162 CG PHE A 77 0.217 4.729 -3.975 1.00 0.10 C ATOM 1163 CD1 PHE A 77 -0.041 4.387 -2.637 1.00 0.09 C ATOM 1164 CD2 PHE A 77 0.732 6.000 -4.295 1.00 0.14 C ATOM 1165 CE1 PHE A 77 0.215 5.318 -1.613 1.00 0.09 C ATOM 1166 CE2 PHE A 77 0.990 6.931 -3.271 1.00 0.15 C ATOM 1167 CZ PHE A 77 0.730 6.591 -1.929 1.00 0.12 C ATOM 0 H PHE A 77 2.229 3.963 -6.328 1.00 0.09 H new ATOM 0 HA PHE A 77 1.211 2.334 -4.048 1.00 0.09 H new ATOM 0 HB2 PHE A 77 -0.119 4.225 -6.028 1.00 0.10 H new ATOM 0 HB3 PHE A 77 -1.021 3.242 -4.891 1.00 0.10 H new ATOM 0 HD1 PHE A 77 -0.435 3.411 -2.395 1.00 0.09 H new ATOM 0 HD2 PHE A 77 0.929 6.260 -5.325 1.00 0.14 H new ATOM 0 HE1 PHE A 77 0.017 5.056 -0.584 1.00 0.09 H new ATOM 0 HE2 PHE A 77 1.387 7.905 -3.514 1.00 0.15 H new ATOM 0 HZ PHE A 77 0.925 7.305 -1.143 1.00 0.12 H new ATOM 1177 N GLN A 78 0.532 0.380 -5.405 1.00 0.07 N ATOM 1178 CA GLN A 78 0.159 -0.823 -6.190 1.00 0.07 C ATOM 1179 C GLN A 78 -1.155 -1.359 -5.631 1.00 0.06 C ATOM 1180 O GLN A 78 -1.334 -1.462 -4.433 1.00 0.07 O ATOM 1181 CB GLN A 78 1.268 -1.866 -6.035 1.00 0.08 C ATOM 1182 CG GLN A 78 2.623 -1.231 -6.379 1.00 0.12 C ATOM 1183 CD GLN A 78 3.634 -2.327 -6.731 1.00 0.14 C ATOM 1184 OE1 GLN A 78 4.637 -2.484 -6.065 1.00 0.81 O ATOM 1185 NE2 GLN A 78 3.411 -3.094 -7.763 1.00 1.03 N ATOM 0 H GLN A 78 0.659 0.213 -4.407 1.00 0.07 H new ATOM 0 HA GLN A 78 0.038 -0.587 -7.247 1.00 0.07 H new ATOM 0 HB2 GLN A 78 1.282 -2.247 -5.014 1.00 0.08 H new ATOM 0 HB3 GLN A 78 1.076 -2.716 -6.690 1.00 0.08 H new ATOM 0 HG2 GLN A 78 2.511 -0.544 -7.218 1.00 0.12 H new ATOM 0 HG3 GLN A 78 2.986 -0.646 -5.534 1.00 0.12 H new ATOM 0 HE21 GLN A 78 2.569 -2.963 -8.323 1.00 1.03 H new ATOM 0 HE22 GLN A 78 4.079 -3.824 -8.009 1.00 1.03 H new ATOM 1194 N PHE A 79 -2.086 -1.671 -6.491 1.00 0.06 N ATOM 1195 CA PHE A 79 -3.417 -2.169 -6.028 1.00 0.07 C ATOM 1196 C PHE A 79 -3.530 -3.659 -6.326 1.00 0.07 C ATOM 1197 O PHE A 79 -3.364 -4.094 -7.448 1.00 0.09 O ATOM 1198 CB PHE A 79 -4.519 -1.406 -6.773 1.00 0.08 C ATOM 1199 CG PHE A 79 -4.478 0.052 -6.363 1.00 0.08 C ATOM 1200 CD1 PHE A 79 -3.394 0.855 -6.748 1.00 0.09 C ATOM 1201 CD2 PHE A 79 -5.508 0.599 -5.582 1.00 0.09 C ATOM 1202 CE1 PHE A 79 -3.334 2.207 -6.359 1.00 0.11 C ATOM 1203 CE2 PHE A 79 -5.452 1.946 -5.184 1.00 0.10 C ATOM 1204 CZ PHE A 79 -4.367 2.752 -5.572 1.00 0.11 C ATOM 0 H PHE A 79 -1.982 -1.602 -7.503 1.00 0.06 H new ATOM 0 HA PHE A 79 -3.523 -2.010 -4.955 1.00 0.07 H new ATOM 0 HB2 PHE A 79 -4.377 -1.498 -7.850 1.00 0.08 H new ATOM 0 HB3 PHE A 79 -5.494 -1.834 -6.542 1.00 0.08 H new ATOM 0 HD1 PHE A 79 -2.600 0.433 -7.347 1.00 0.09 H new ATOM 0 HD2 PHE A 79 -6.345 -0.016 -5.286 1.00 0.09 H new ATOM 0 HE1 PHE A 79 -2.500 2.823 -6.663 1.00 0.11 H new ATOM 0 HE2 PHE A 79 -6.244 2.363 -4.579 1.00 0.10 H new ATOM 0 HZ PHE A 79 -4.326 3.787 -5.267 1.00 0.11 H new ATOM 1214 N PHE A 80 -3.812 -4.443 -5.316 1.00 0.07 N ATOM 1215 CA PHE A 80 -3.943 -5.918 -5.503 1.00 0.08 C ATOM 1216 C PHE A 80 -5.306 -6.362 -4.985 1.00 0.11 C ATOM 1217 O PHE A 80 -5.917 -5.702 -4.168 1.00 0.15 O ATOM 1218 CB PHE A 80 -2.848 -6.638 -4.709 1.00 0.09 C ATOM 1219 CG PHE A 80 -1.502 -6.417 -5.364 1.00 0.09 C ATOM 1220 CD1 PHE A 80 -1.132 -7.170 -6.496 1.00 0.14 C ATOM 1221 CD2 PHE A 80 -0.611 -5.463 -4.834 1.00 0.09 C ATOM 1222 CE1 PHE A 80 0.128 -6.966 -7.095 1.00 0.17 C ATOM 1223 CE2 PHE A 80 0.645 -5.261 -5.433 1.00 0.11 C ATOM 1224 CZ PHE A 80 1.016 -6.012 -6.562 1.00 0.14 C ATOM 0 H PHE A 80 -3.958 -4.119 -4.360 1.00 0.07 H new ATOM 0 HA PHE A 80 -3.844 -6.162 -6.561 1.00 0.08 H new ATOM 0 HB2 PHE A 80 -2.828 -6.268 -3.684 1.00 0.09 H new ATOM 0 HB3 PHE A 80 -3.066 -7.705 -4.658 1.00 0.09 H new ATOM 0 HD1 PHE A 80 -1.813 -7.902 -6.904 1.00 0.14 H new ATOM 0 HD2 PHE A 80 -0.893 -4.886 -3.966 1.00 0.09 H new ATOM 0 HE1 PHE A 80 0.412 -7.542 -7.963 1.00 0.17 H new ATOM 0 HE2 PHE A 80 1.325 -4.528 -5.025 1.00 0.11 H new ATOM 0 HZ PHE A 80 1.982 -5.857 -7.020 1.00 0.14 H new ATOM 1234 N LYS A 81 -5.787 -7.479 -5.451 1.00 0.11 N ATOM 1235 CA LYS A 81 -7.109 -7.975 -4.984 1.00 0.14 C ATOM 1236 C LYS A 81 -7.116 -9.491 -5.143 1.00 0.14 C ATOM 1237 O LYS A 81 -6.878 -10.007 -6.214 1.00 0.15 O ATOM 1238 CB LYS A 81 -8.223 -7.340 -5.834 1.00 0.20 C ATOM 1239 CG LYS A 81 -9.564 -7.410 -5.094 1.00 0.33 C ATOM 1240 CD LYS A 81 -10.593 -6.538 -5.820 1.00 0.60 C ATOM 1241 CE LYS A 81 -11.874 -6.465 -4.988 1.00 0.72 C ATOM 1242 NZ LYS A 81 -12.397 -7.841 -4.758 1.00 1.48 N ATOM 0 H LYS A 81 -5.320 -8.071 -6.137 1.00 0.11 H new ATOM 0 HA LYS A 81 -7.281 -7.708 -3.941 1.00 0.14 H new ATOM 0 HB2 LYS A 81 -7.975 -6.302 -6.053 1.00 0.20 H new ATOM 0 HB3 LYS A 81 -8.300 -7.858 -6.790 1.00 0.20 H new ATOM 0 HG2 LYS A 81 -9.913 -8.442 -5.048 1.00 0.33 H new ATOM 0 HG3 LYS A 81 -9.443 -7.069 -4.066 1.00 0.33 H new ATOM 0 HD2 LYS A 81 -10.191 -5.537 -5.978 1.00 0.60 H new ATOM 0 HD3 LYS A 81 -10.809 -6.954 -6.804 1.00 0.60 H new ATOM 0 HE2 LYS A 81 -11.673 -5.977 -4.034 1.00 0.72 H new ATOM 0 HE3 LYS A 81 -12.621 -5.862 -5.504 1.00 0.72 H new ATOM 0 HZ1 LYS A 81 -13.434 -7.811 -4.689 1.00 1.48 H new ATOM 0 HZ2 LYS A 81 -12.120 -8.455 -5.551 1.00 1.48 H new ATOM 0 HZ3 LYS A 81 -12.002 -8.219 -3.873 1.00 1.48 H new ATOM 1256 N LYS A 82 -7.356 -10.209 -4.080 1.00 0.16 N ATOM 1257 CA LYS A 82 -7.344 -11.694 -4.172 1.00 0.20 C ATOM 1258 C LYS A 82 -5.997 -12.155 -4.738 1.00 0.20 C ATOM 1259 O LYS A 82 -5.905 -13.164 -5.409 1.00 0.23 O ATOM 1260 CB LYS A 82 -8.486 -12.173 -5.081 1.00 0.21 C ATOM 1261 CG LYS A 82 -9.799 -12.208 -4.289 1.00 0.24 C ATOM 1262 CD LYS A 82 -10.966 -12.544 -5.228 1.00 0.36 C ATOM 1263 CE LYS A 82 -11.197 -11.402 -6.234 1.00 1.19 C ATOM 1264 NZ LYS A 82 -12.632 -11.386 -6.637 1.00 1.67 N ATOM 0 H LYS A 82 -7.559 -9.831 -3.155 1.00 0.16 H new ATOM 0 HA LYS A 82 -7.485 -12.120 -3.179 1.00 0.20 H new ATOM 0 HB2 LYS A 82 -8.585 -11.507 -5.938 1.00 0.21 H new ATOM 0 HB3 LYS A 82 -8.260 -13.165 -5.473 1.00 0.21 H new ATOM 0 HG2 LYS A 82 -9.735 -12.951 -3.494 1.00 0.24 H new ATOM 0 HG3 LYS A 82 -9.971 -11.244 -3.811 1.00 0.24 H new ATOM 0 HD2 LYS A 82 -10.755 -13.470 -5.763 1.00 0.36 H new ATOM 0 HD3 LYS A 82 -11.872 -12.712 -4.646 1.00 0.36 H new ATOM 0 HE2 LYS A 82 -10.922 -10.447 -5.787 1.00 1.19 H new ATOM 0 HE3 LYS A 82 -10.563 -11.539 -7.110 1.00 1.19 H new ATOM 0 HZ1 LYS A 82 -12.793 -10.616 -7.317 1.00 1.67 H new ATOM 0 HZ2 LYS A 82 -12.879 -12.295 -7.078 1.00 1.67 H new ATOM 0 HZ3 LYS A 82 -13.227 -11.236 -5.797 1.00 1.67 H new ATOM 1278 N GLY A 83 -4.947 -11.430 -4.459 1.00 0.19 N ATOM 1279 CA GLY A 83 -3.605 -11.833 -4.965 1.00 0.21 C ATOM 1280 C GLY A 83 -3.446 -11.424 -6.431 1.00 0.19 C ATOM 1281 O GLY A 83 -2.477 -11.778 -7.074 1.00 0.22 O ATOM 0 H GLY A 83 -4.962 -10.576 -3.902 1.00 0.19 H new ATOM 0 HA2 GLY A 83 -2.826 -11.365 -4.363 1.00 0.21 H new ATOM 0 HA3 GLY A 83 -3.480 -12.911 -4.865 1.00 0.21 H new ATOM 1285 N GLN A 84 -4.393 -10.692 -6.970 1.00 0.16 N ATOM 1286 CA GLN A 84 -4.304 -10.268 -8.412 1.00 0.17 C ATOM 1287 C GLN A 84 -4.095 -8.752 -8.517 1.00 0.16 C ATOM 1288 O GLN A 84 -4.639 -7.989 -7.752 1.00 0.14 O ATOM 1289 CB GLN A 84 -5.611 -10.633 -9.120 1.00 0.19 C ATOM 1290 CG GLN A 84 -5.658 -12.143 -9.367 1.00 0.23 C ATOM 1291 CD GLN A 84 -4.743 -12.485 -10.543 1.00 1.19 C ATOM 1292 OE1 GLN A 84 -4.699 -13.613 -10.994 1.00 1.86 O ATOM 1293 NE2 GLN A 84 -4.006 -11.542 -11.060 1.00 2.08 N ATOM 0 H GLN A 84 -5.225 -10.368 -6.477 1.00 0.16 H new ATOM 0 HA GLN A 84 -3.459 -10.777 -8.876 1.00 0.17 H new ATOM 0 HB2 GLN A 84 -6.463 -10.327 -8.513 1.00 0.19 H new ATOM 0 HB3 GLN A 84 -5.685 -10.097 -10.066 1.00 0.19 H new ATOM 0 HG2 GLN A 84 -5.339 -12.680 -8.474 1.00 0.23 H new ATOM 0 HG3 GLN A 84 -6.679 -12.458 -9.581 1.00 0.23 H new ATOM 0 HE21 GLN A 84 -4.046 -10.597 -10.679 1.00 2.08 H new ATOM 0 HE22 GLN A 84 -3.390 -11.749 -11.846 1.00 2.08 H new ATOM 1302 N LYS A 85 -3.316 -8.315 -9.477 1.00 0.17 N ATOM 1303 CA LYS A 85 -3.078 -6.850 -9.645 1.00 0.17 C ATOM 1304 C LYS A 85 -4.211 -6.238 -10.470 1.00 0.16 C ATOM 1305 O LYS A 85 -4.704 -6.846 -11.401 1.00 0.19 O ATOM 1306 CB LYS A 85 -1.752 -6.619 -10.372 1.00 0.20 C ATOM 1307 CG LYS A 85 -1.518 -5.110 -10.532 1.00 0.25 C ATOM 1308 CD LYS A 85 -0.044 -4.840 -10.850 1.00 0.30 C ATOM 1309 CE LYS A 85 0.294 -5.409 -12.230 1.00 0.89 C ATOM 1310 NZ LYS A 85 1.611 -4.876 -12.681 1.00 1.70 N ATOM 0 H LYS A 85 -2.835 -8.911 -10.151 1.00 0.17 H new ATOM 0 HA LYS A 85 -3.042 -6.382 -8.661 1.00 0.17 H new ATOM 0 HB2 LYS A 85 -0.933 -7.068 -9.810 1.00 0.20 H new ATOM 0 HB3 LYS A 85 -1.771 -7.102 -11.349 1.00 0.20 H new ATOM 0 HG2 LYS A 85 -2.149 -4.718 -11.330 1.00 0.25 H new ATOM 0 HG3 LYS A 85 -1.802 -4.590 -9.617 1.00 0.25 H new ATOM 0 HD2 LYS A 85 0.153 -3.768 -10.829 1.00 0.30 H new ATOM 0 HD3 LYS A 85 0.592 -5.296 -10.091 1.00 0.30 H new ATOM 0 HE2 LYS A 85 0.326 -6.498 -12.188 1.00 0.89 H new ATOM 0 HE3 LYS A 85 -0.483 -5.140 -12.946 1.00 0.89 H new ATOM 0 HZ1 LYS A 85 1.840 -5.263 -13.619 1.00 1.70 H new ATOM 0 HZ2 LYS A 85 1.565 -3.839 -12.737 1.00 1.70 H new ATOM 0 HZ3 LYS A 85 2.349 -5.154 -12.003 1.00 1.70 H new ATOM 1324 N VAL A 86 -4.634 -5.042 -10.130 1.00 0.15 N ATOM 1325 CA VAL A 86 -5.747 -4.382 -10.887 1.00 0.16 C ATOM 1326 C VAL A 86 -5.371 -2.935 -11.246 1.00 0.18 C ATOM 1327 O VAL A 86 -6.061 -2.286 -12.006 1.00 0.26 O ATOM 1328 CB VAL A 86 -7.010 -4.386 -10.022 1.00 0.16 C ATOM 1329 CG1 VAL A 86 -7.461 -5.829 -9.785 1.00 0.19 C ATOM 1330 CG2 VAL A 86 -6.717 -3.720 -8.674 1.00 0.17 C ATOM 0 H VAL A 86 -4.255 -4.493 -9.358 1.00 0.15 H new ATOM 0 HA VAL A 86 -5.926 -4.932 -11.811 1.00 0.16 H new ATOM 0 HB VAL A 86 -7.798 -3.834 -10.535 1.00 0.16 H new ATOM 0 HG11 VAL A 86 -8.360 -5.833 -9.169 1.00 0.19 H new ATOM 0 HG12 VAL A 86 -7.675 -6.305 -10.742 1.00 0.19 H new ATOM 0 HG13 VAL A 86 -6.670 -6.378 -9.275 1.00 0.19 H new ATOM 0 HG21 VAL A 86 -7.619 -3.725 -8.062 1.00 0.17 H new ATOM 0 HG22 VAL A 86 -5.927 -4.269 -8.161 1.00 0.17 H new ATOM 0 HG23 VAL A 86 -6.396 -2.691 -8.838 1.00 0.17 H new ATOM 1340 N GLY A 87 -4.290 -2.418 -10.717 1.00 0.15 N ATOM 1341 CA GLY A 87 -3.906 -1.010 -11.056 1.00 0.18 C ATOM 1342 C GLY A 87 -2.685 -0.571 -10.236 1.00 0.10 C ATOM 1343 O GLY A 87 -2.281 -1.235 -9.301 1.00 0.08 O ATOM 0 H GLY A 87 -3.663 -2.901 -10.073 1.00 0.15 H new ATOM 0 HA2 GLY A 87 -3.682 -0.934 -12.120 1.00 0.18 H new ATOM 0 HA3 GLY A 87 -4.744 -0.341 -10.858 1.00 0.18 H new ATOM 1347 N GLU A 88 -2.095 0.550 -10.584 1.00 0.10 N ATOM 1348 CA GLU A 88 -0.901 1.042 -9.832 1.00 0.10 C ATOM 1349 C GLU A 88 -0.506 2.439 -10.313 1.00 0.10 C ATOM 1350 O GLU A 88 -0.740 2.806 -11.448 1.00 0.11 O ATOM 1351 CB GLU A 88 0.283 0.085 -10.031 1.00 0.17 C ATOM 1352 CG GLU A 88 0.680 0.002 -11.513 1.00 0.25 C ATOM 1353 CD GLU A 88 -0.482 -0.549 -12.345 1.00 1.25 C ATOM 1354 OE1 GLU A 88 -0.710 -1.746 -12.287 1.00 2.04 O ATOM 1355 OE2 GLU A 88 -1.121 0.237 -13.025 1.00 1.94 O ATOM 0 H GLU A 88 -2.392 1.144 -11.358 1.00 0.10 H new ATOM 0 HA GLU A 88 -1.158 1.086 -8.774 1.00 0.10 H new ATOM 0 HB2 GLU A 88 1.134 0.426 -9.441 1.00 0.17 H new ATOM 0 HB3 GLU A 88 0.019 -0.907 -9.665 1.00 0.17 H new ATOM 0 HG2 GLU A 88 0.960 0.990 -11.877 1.00 0.25 H new ATOM 0 HG3 GLU A 88 1.554 -0.639 -11.627 1.00 0.25 H new ATOM 1362 N PHE A 89 0.114 3.214 -9.461 1.00 0.09 N ATOM 1363 CA PHE A 89 0.546 4.578 -9.876 1.00 0.09 C ATOM 1364 C PHE A 89 1.477 5.185 -8.819 1.00 0.09 C ATOM 1365 O PHE A 89 1.213 5.133 -7.640 1.00 0.12 O ATOM 1366 CB PHE A 89 -0.678 5.488 -10.109 1.00 0.09 C ATOM 1367 CG PHE A 89 -1.294 5.941 -8.797 1.00 0.09 C ATOM 1368 CD1 PHE A 89 -0.653 6.919 -8.004 1.00 0.12 C ATOM 1369 CD2 PHE A 89 -2.523 5.394 -8.372 1.00 0.10 C ATOM 1370 CE1 PHE A 89 -1.235 7.337 -6.796 1.00 0.14 C ATOM 1371 CE2 PHE A 89 -3.105 5.818 -7.163 1.00 0.10 C ATOM 1372 CZ PHE A 89 -2.461 6.789 -6.374 1.00 0.11 C ATOM 0 H PHE A 89 0.338 2.961 -8.499 1.00 0.09 H new ATOM 0 HA PHE A 89 1.094 4.498 -10.815 1.00 0.09 H new ATOM 0 HB2 PHE A 89 -0.379 6.359 -10.691 1.00 0.09 H new ATOM 0 HB3 PHE A 89 -1.424 4.953 -10.696 1.00 0.09 H new ATOM 0 HD1 PHE A 89 0.285 7.345 -8.327 1.00 0.12 H new ATOM 0 HD2 PHE A 89 -3.018 4.648 -8.976 1.00 0.10 H new ATOM 0 HE1 PHE A 89 -0.740 8.081 -6.189 1.00 0.14 H new ATOM 0 HE2 PHE A 89 -4.046 5.398 -6.841 1.00 0.10 H new ATOM 0 HZ PHE A 89 -2.907 7.114 -5.445 1.00 0.11 H new ATOM 1382 N SER A 90 2.573 5.767 -9.242 1.00 0.13 N ATOM 1383 CA SER A 90 3.536 6.390 -8.274 1.00 0.14 C ATOM 1384 C SER A 90 3.375 7.912 -8.314 1.00 0.14 C ATOM 1385 O SER A 90 2.498 8.436 -8.971 1.00 0.17 O ATOM 1386 CB SER A 90 4.963 6.022 -8.679 1.00 0.15 C ATOM 1387 OG SER A 90 5.393 6.885 -9.723 1.00 0.16 O ATOM 0 H SER A 90 2.845 5.839 -10.222 1.00 0.13 H new ATOM 0 HA SER A 90 3.335 6.026 -7.266 1.00 0.14 H new ATOM 0 HB2 SER A 90 5.630 6.109 -7.822 1.00 0.15 H new ATOM 0 HB3 SER A 90 5.003 4.984 -9.010 1.00 0.15 H new ATOM 0 HG SER A 90 6.271 7.257 -9.499 1.00 0.16 H new ATOM 1393 N GLY A 91 4.218 8.625 -7.613 1.00 0.12 N ATOM 1394 CA GLY A 91 4.122 10.118 -7.604 1.00 0.13 C ATOM 1395 C GLY A 91 3.278 10.565 -6.410 1.00 0.13 C ATOM 1396 O GLY A 91 2.211 10.039 -6.162 1.00 0.13 O ATOM 0 H GLY A 91 4.971 8.238 -7.044 1.00 0.12 H new ATOM 0 HA2 GLY A 91 5.118 10.557 -7.544 1.00 0.13 H new ATOM 0 HA3 GLY A 91 3.673 10.470 -8.533 1.00 0.13 H new ATOM 1400 N ALA A 92 3.748 11.525 -5.661 1.00 0.15 N ATOM 1401 CA ALA A 92 2.967 11.988 -4.479 1.00 0.17 C ATOM 1402 C ALA A 92 1.586 12.486 -4.921 1.00 0.15 C ATOM 1403 O ALA A 92 1.415 13.632 -5.287 1.00 0.16 O ATOM 1404 CB ALA A 92 3.727 13.120 -3.767 1.00 0.20 C ATOM 0 H ALA A 92 4.634 12.006 -5.815 1.00 0.15 H new ATOM 0 HA ALA A 92 2.836 11.153 -3.791 1.00 0.17 H new ATOM 0 HB1 ALA A 92 3.153 13.456 -2.903 1.00 0.20 H new ATOM 0 HB2 ALA A 92 4.699 12.754 -3.437 1.00 0.20 H new ATOM 0 HB3 ALA A 92 3.868 13.953 -4.456 1.00 0.20 H new ATOM 1410 N ASN A 93 0.599 11.634 -4.864 1.00 0.14 N ATOM 1411 CA ASN A 93 -0.786 12.042 -5.248 1.00 0.13 C ATOM 1412 C ASN A 93 -1.756 11.410 -4.245 1.00 0.12 C ATOM 1413 O ASN A 93 -2.480 10.485 -4.557 1.00 0.12 O ATOM 1414 CB ASN A 93 -1.093 11.547 -6.670 1.00 0.14 C ATOM 1415 CG ASN A 93 -2.240 12.370 -7.263 1.00 0.16 C ATOM 1416 OD1 ASN A 93 -2.408 12.419 -8.467 1.00 1.04 O ATOM 1417 ND2 ASN A 93 -3.041 13.021 -6.466 1.00 1.15 N ATOM 0 H ASN A 93 0.692 10.663 -4.565 1.00 0.14 H new ATOM 0 HA ASN A 93 -0.887 13.127 -5.233 1.00 0.13 H new ATOM 0 HB2 ASN A 93 -0.206 11.636 -7.297 1.00 0.14 H new ATOM 0 HB3 ASN A 93 -1.363 10.491 -6.648 1.00 0.14 H new ATOM 0 HD21 ASN A 93 -3.808 13.571 -6.852 1.00 1.15 H new ATOM 0 HD22 ASN A 93 -2.900 12.980 -5.457 1.00 1.15 H new ATOM 1424 N LYS A 94 -1.750 11.889 -3.030 1.00 0.17 N ATOM 1425 CA LYS A 94 -2.640 11.307 -1.986 1.00 0.20 C ATOM 1426 C LYS A 94 -4.110 11.471 -2.379 1.00 0.18 C ATOM 1427 O LYS A 94 -4.936 10.636 -2.067 1.00 0.18 O ATOM 1428 CB LYS A 94 -2.386 12.011 -0.643 1.00 0.29 C ATOM 1429 CG LYS A 94 -2.268 13.545 -0.846 1.00 0.38 C ATOM 1430 CD LYS A 94 -0.788 13.972 -0.883 1.00 0.88 C ATOM 1431 CE LYS A 94 -0.247 14.119 0.545 1.00 0.78 C ATOM 1432 NZ LYS A 94 1.241 14.021 0.524 1.00 1.19 N ATOM 0 H LYS A 94 -1.164 12.662 -2.715 1.00 0.17 H new ATOM 0 HA LYS A 94 -2.420 10.244 -1.893 1.00 0.20 H new ATOM 0 HB2 LYS A 94 -3.199 11.791 0.049 1.00 0.29 H new ATOM 0 HB3 LYS A 94 -1.471 11.627 -0.192 1.00 0.29 H new ATOM 0 HG2 LYS A 94 -2.759 13.834 -1.775 1.00 0.38 H new ATOM 0 HG3 LYS A 94 -2.783 14.065 -0.038 1.00 0.38 H new ATOM 0 HD2 LYS A 94 -0.201 13.233 -1.428 1.00 0.88 H new ATOM 0 HD3 LYS A 94 -0.687 14.916 -1.418 1.00 0.88 H new ATOM 0 HE2 LYS A 94 -0.553 15.077 0.965 1.00 0.78 H new ATOM 0 HE3 LYS A 94 -0.665 13.342 1.186 1.00 0.78 H new ATOM 0 HZ1 LYS A 94 1.574 13.603 1.416 1.00 1.19 H new ATOM 0 HZ2 LYS A 94 1.538 13.421 -0.272 1.00 1.19 H new ATOM 0 HZ3 LYS A 94 1.650 14.971 0.413 1.00 1.19 H new ATOM 1446 N GLU A 95 -4.451 12.530 -3.054 1.00 0.19 N ATOM 1447 CA GLU A 95 -5.870 12.725 -3.449 1.00 0.20 C ATOM 1448 C GLU A 95 -6.271 11.623 -4.430 1.00 0.17 C ATOM 1449 O GLU A 95 -7.424 11.254 -4.534 1.00 0.18 O ATOM 1450 CB GLU A 95 -6.019 14.087 -4.127 1.00 0.24 C ATOM 1451 CG GLU A 95 -5.904 15.196 -3.080 1.00 0.33 C ATOM 1452 CD GLU A 95 -7.192 15.257 -2.257 1.00 1.16 C ATOM 1453 OE1 GLU A 95 -8.076 14.458 -2.518 1.00 1.95 O ATOM 1454 OE2 GLU A 95 -7.273 16.102 -1.381 1.00 1.86 O ATOM 0 H GLU A 95 -3.810 13.267 -3.349 1.00 0.19 H new ATOM 0 HA GLU A 95 -6.510 12.683 -2.568 1.00 0.20 H new ATOM 0 HB2 GLU A 95 -5.250 14.211 -4.889 1.00 0.24 H new ATOM 0 HB3 GLU A 95 -6.982 14.149 -4.633 1.00 0.24 H new ATOM 0 HG2 GLU A 95 -5.052 15.007 -2.427 1.00 0.33 H new ATOM 0 HG3 GLU A 95 -5.726 16.154 -3.568 1.00 0.33 H new ATOM 1461 N LYS A 96 -5.321 11.100 -5.150 1.00 0.14 N ATOM 1462 CA LYS A 96 -5.624 10.024 -6.132 1.00 0.14 C ATOM 1463 C LYS A 96 -5.967 8.726 -5.399 1.00 0.12 C ATOM 1464 O LYS A 96 -6.827 7.985 -5.821 1.00 0.12 O ATOM 1465 CB LYS A 96 -4.411 9.805 -7.038 1.00 0.16 C ATOM 1466 CG LYS A 96 -4.715 8.703 -8.059 1.00 0.21 C ATOM 1467 CD LYS A 96 -3.581 8.612 -9.101 1.00 0.24 C ATOM 1468 CE LYS A 96 -3.829 9.597 -10.252 1.00 1.18 C ATOM 1469 NZ LYS A 96 -5.017 9.157 -11.038 1.00 2.05 N ATOM 0 H LYS A 96 -4.340 11.374 -5.100 1.00 0.14 H new ATOM 0 HA LYS A 96 -6.480 10.322 -6.738 1.00 0.14 H new ATOM 0 HB2 LYS A 96 -4.159 10.732 -7.554 1.00 0.16 H new ATOM 0 HB3 LYS A 96 -3.544 9.528 -6.439 1.00 0.16 H new ATOM 0 HG2 LYS A 96 -4.827 7.746 -7.549 1.00 0.21 H new ATOM 0 HG3 LYS A 96 -5.661 8.911 -8.558 1.00 0.21 H new ATOM 0 HD2 LYS A 96 -2.625 8.831 -8.626 1.00 0.24 H new ATOM 0 HD3 LYS A 96 -3.518 7.596 -9.491 1.00 0.24 H new ATOM 0 HE2 LYS A 96 -3.992 10.600 -9.857 1.00 1.18 H new ATOM 0 HE3 LYS A 96 -2.952 9.647 -10.897 1.00 1.18 H new ATOM 0 HZ1 LYS A 96 -4.924 9.484 -12.021 1.00 2.05 H new ATOM 0 HZ2 LYS A 96 -5.078 8.119 -11.023 1.00 2.05 H new ATOM 0 HZ3 LYS A 96 -5.879 9.560 -10.619 1.00 2.05 H new ATOM 1483 N LEU A 97 -5.307 8.430 -4.307 1.00 0.11 N ATOM 1484 CA LEU A 97 -5.631 7.163 -3.586 1.00 0.11 C ATOM 1485 C LEU A 97 -7.135 7.111 -3.331 1.00 0.11 C ATOM 1486 O LEU A 97 -7.747 6.063 -3.382 1.00 0.11 O ATOM 1487 CB LEU A 97 -4.902 7.089 -2.230 1.00 0.12 C ATOM 1488 CG LEU A 97 -3.388 7.308 -2.399 1.00 0.12 C ATOM 1489 CD1 LEU A 97 -2.769 7.693 -1.047 1.00 0.15 C ATOM 1490 CD2 LEU A 97 -2.715 6.023 -2.900 1.00 0.13 C ATOM 0 H LEU A 97 -4.571 9.000 -3.890 1.00 0.11 H new ATOM 0 HA LEU A 97 -5.308 6.325 -4.203 1.00 0.11 H new ATOM 0 HB2 LEU A 97 -5.308 7.842 -1.554 1.00 0.12 H new ATOM 0 HB3 LEU A 97 -5.082 6.118 -1.770 1.00 0.12 H new ATOM 0 HG LEU A 97 -3.232 8.106 -3.125 1.00 0.12 H new ATOM 0 HD11 LEU A 97 -1.697 7.848 -1.169 1.00 0.15 H new ATOM 0 HD12 LEU A 97 -3.229 8.612 -0.685 1.00 0.15 H new ATOM 0 HD13 LEU A 97 -2.941 6.893 -0.327 1.00 0.15 H new ATOM 0 HD21 LEU A 97 -1.645 6.194 -3.015 1.00 0.13 H new ATOM 0 HD22 LEU A 97 -2.880 5.222 -2.180 1.00 0.13 H new ATOM 0 HD23 LEU A 97 -3.142 5.740 -3.862 1.00 0.13 H new ATOM 1502 N GLU A 98 -7.738 8.234 -3.057 1.00 0.13 N ATOM 1503 CA GLU A 98 -9.206 8.237 -2.797 1.00 0.14 C ATOM 1504 C GLU A 98 -9.952 7.871 -4.082 1.00 0.13 C ATOM 1505 O GLU A 98 -10.750 6.956 -4.112 1.00 0.13 O ATOM 1506 CB GLU A 98 -9.649 9.625 -2.328 1.00 0.16 C ATOM 1507 CG GLU A 98 -11.082 9.546 -1.794 1.00 0.21 C ATOM 1508 CD GLU A 98 -11.491 10.905 -1.225 1.00 1.34 C ATOM 1509 OE1 GLU A 98 -11.006 11.905 -1.726 1.00 2.05 O ATOM 1510 OE2 GLU A 98 -12.284 10.921 -0.298 1.00 2.15 O ATOM 0 H GLU A 98 -7.282 9.145 -3.002 1.00 0.13 H new ATOM 0 HA GLU A 98 -9.434 7.507 -2.021 1.00 0.14 H new ATOM 0 HB2 GLU A 98 -8.978 9.990 -1.550 1.00 0.16 H new ATOM 0 HB3 GLU A 98 -9.595 10.335 -3.154 1.00 0.16 H new ATOM 0 HG2 GLU A 98 -11.763 9.255 -2.593 1.00 0.21 H new ATOM 0 HG3 GLU A 98 -11.152 8.781 -1.021 1.00 0.21 H new ATOM 1517 N ALA A 99 -9.701 8.588 -5.142 1.00 0.13 N ATOM 1518 CA ALA A 99 -10.395 8.296 -6.428 1.00 0.14 C ATOM 1519 C ALA A 99 -10.092 6.866 -6.884 1.00 0.12 C ATOM 1520 O ALA A 99 -10.970 6.147 -7.308 1.00 0.13 O ATOM 1521 CB ALA A 99 -9.916 9.282 -7.495 1.00 0.15 C ATOM 0 H ALA A 99 -9.043 9.367 -5.173 1.00 0.13 H new ATOM 0 HA ALA A 99 -11.470 8.399 -6.282 1.00 0.14 H new ATOM 0 HB1 ALA A 99 -10.421 9.072 -8.438 1.00 0.15 H new ATOM 0 HB2 ALA A 99 -10.146 10.300 -7.179 1.00 0.15 H new ATOM 0 HB3 ALA A 99 -8.839 9.178 -7.629 1.00 0.15 H new ATOM 1527 N THR A 100 -8.855 6.452 -6.812 1.00 0.11 N ATOM 1528 CA THR A 100 -8.496 5.072 -7.259 1.00 0.11 C ATOM 1529 C THR A 100 -9.161 4.040 -6.348 1.00 0.10 C ATOM 1530 O THR A 100 -9.720 3.064 -6.807 1.00 0.11 O ATOM 1531 CB THR A 100 -6.976 4.898 -7.204 1.00 0.11 C ATOM 1532 OG1 THR A 100 -6.353 6.010 -7.830 1.00 0.13 O ATOM 1533 CG2 THR A 100 -6.581 3.614 -7.934 1.00 0.12 C ATOM 0 H THR A 100 -8.076 7.010 -6.463 1.00 0.11 H new ATOM 0 HA THR A 100 -8.845 4.924 -8.281 1.00 0.11 H new ATOM 0 HB THR A 100 -6.654 4.836 -6.165 1.00 0.11 H new ATOM 0 HG1 THR A 100 -6.431 6.797 -7.252 1.00 0.13 H new ATOM 0 HG21 THR A 100 -5.499 3.491 -7.894 1.00 0.12 H new ATOM 0 HG22 THR A 100 -7.061 2.761 -7.455 1.00 0.12 H new ATOM 0 HG23 THR A 100 -6.901 3.674 -8.974 1.00 0.12 H new ATOM 1541 N ILE A 101 -9.111 4.245 -5.062 1.00 0.10 N ATOM 1542 CA ILE A 101 -9.750 3.269 -4.130 1.00 0.11 C ATOM 1543 C ILE A 101 -11.248 3.198 -4.442 1.00 0.13 C ATOM 1544 O ILE A 101 -11.796 2.136 -4.656 1.00 0.14 O ATOM 1545 CB ILE A 101 -9.531 3.739 -2.678 1.00 0.13 C ATOM 1546 CG1 ILE A 101 -8.065 3.482 -2.274 1.00 0.14 C ATOM 1547 CG2 ILE A 101 -10.466 2.970 -1.731 1.00 0.16 C ATOM 1548 CD1 ILE A 101 -7.673 4.338 -1.060 1.00 0.18 C ATOM 0 H ILE A 101 -8.658 5.042 -4.615 1.00 0.10 H new ATOM 0 HA ILE A 101 -9.308 2.280 -4.253 1.00 0.11 H new ATOM 0 HB ILE A 101 -9.750 4.804 -2.608 1.00 0.13 H new ATOM 0 HG12 ILE A 101 -7.928 2.426 -2.039 1.00 0.14 H new ATOM 0 HG13 ILE A 101 -7.407 3.710 -3.113 1.00 0.14 H new ATOM 0 HG21 ILE A 101 -10.305 3.308 -0.707 1.00 0.16 H new ATOM 0 HG22 ILE A 101 -11.502 3.153 -2.015 1.00 0.16 H new ATOM 0 HG23 ILE A 101 -10.255 1.903 -1.798 1.00 0.16 H new ATOM 0 HD11 ILE A 101 -6.635 4.139 -0.794 1.00 0.18 H new ATOM 0 HD12 ILE A 101 -7.788 5.393 -1.307 1.00 0.18 H new ATOM 0 HD13 ILE A 101 -8.317 4.090 -0.217 1.00 0.18 H new ATOM 1560 N ASN A 102 -11.912 4.320 -4.470 1.00 0.14 N ATOM 1561 CA ASN A 102 -13.373 4.317 -4.765 1.00 0.17 C ATOM 1562 C ASN A 102 -13.618 3.754 -6.168 1.00 0.18 C ATOM 1563 O ASN A 102 -14.726 3.402 -6.518 1.00 0.21 O ATOM 1564 CB ASN A 102 -13.906 5.752 -4.689 1.00 0.19 C ATOM 1565 CG ASN A 102 -15.432 5.729 -4.584 1.00 0.26 C ATOM 1566 OD1 ASN A 102 -16.075 4.835 -5.099 1.00 0.81 O ATOM 1567 ND2 ASN A 102 -16.043 6.682 -3.935 1.00 1.03 N ATOM 0 H ASN A 102 -11.506 5.240 -4.301 1.00 0.14 H new ATOM 0 HA ASN A 102 -13.889 3.694 -4.035 1.00 0.17 H new ATOM 0 HB2 ASN A 102 -13.480 6.263 -3.826 1.00 0.19 H new ATOM 0 HB3 ASN A 102 -13.601 6.311 -5.574 1.00 0.19 H new ATOM 0 HD21 ASN A 102 -17.060 6.677 -3.860 1.00 1.03 H new ATOM 0 HD22 ASN A 102 -15.503 7.432 -3.503 1.00 1.03 H new ATOM 1574 N GLU A 103 -12.599 3.680 -6.977 1.00 0.16 N ATOM 1575 CA GLU A 103 -12.780 3.151 -8.359 1.00 0.18 C ATOM 1576 C GLU A 103 -12.882 1.623 -8.329 1.00 0.19 C ATOM 1577 O GLU A 103 -13.852 1.043 -8.775 1.00 0.22 O ATOM 1578 CB GLU A 103 -11.577 3.562 -9.221 1.00 0.17 C ATOM 1579 CG GLU A 103 -11.950 3.486 -10.706 1.00 0.22 C ATOM 1580 CD GLU A 103 -10.787 4.007 -11.553 1.00 1.25 C ATOM 1581 OE1 GLU A 103 -9.701 4.141 -11.014 1.00 2.02 O ATOM 1582 OE2 GLU A 103 -11.003 4.264 -12.725 1.00 2.01 O ATOM 0 H GLU A 103 -11.648 3.963 -6.742 1.00 0.16 H new ATOM 0 HA GLU A 103 -13.697 3.562 -8.781 1.00 0.18 H new ATOM 0 HB2 GLU A 103 -11.265 4.575 -8.967 1.00 0.17 H new ATOM 0 HB3 GLU A 103 -10.730 2.907 -9.016 1.00 0.17 H new ATOM 0 HG2 GLU A 103 -12.182 2.457 -10.981 1.00 0.22 H new ATOM 0 HG3 GLU A 103 -12.846 4.077 -10.897 1.00 0.22 H new ATOM 1589 N LEU A 104 -11.870 0.970 -7.826 1.00 0.17 N ATOM 1590 CA LEU A 104 -11.870 -0.523 -7.779 1.00 0.19 C ATOM 1591 C LEU A 104 -12.440 -1.010 -6.448 1.00 0.19 C ATOM 1592 O LEU A 104 -12.235 -2.141 -6.054 1.00 0.21 O ATOM 1593 CB LEU A 104 -10.430 -1.019 -7.925 1.00 0.17 C ATOM 1594 CG LEU A 104 -9.742 -0.277 -9.076 1.00 0.20 C ATOM 1595 CD1 LEU A 104 -8.305 -0.779 -9.217 1.00 0.20 C ATOM 1596 CD2 LEU A 104 -10.506 -0.527 -10.382 1.00 0.35 C ATOM 0 H LEU A 104 -11.034 1.410 -7.441 1.00 0.17 H new ATOM 0 HA LEU A 104 -12.488 -0.911 -8.589 1.00 0.19 H new ATOM 0 HB2 LEU A 104 -9.883 -0.856 -6.996 1.00 0.17 H new ATOM 0 HB3 LEU A 104 -10.422 -2.092 -8.115 1.00 0.17 H new ATOM 0 HG LEU A 104 -9.734 0.792 -8.865 1.00 0.20 H new ATOM 0 HD11 LEU A 104 -7.814 -0.252 -10.035 1.00 0.20 H new ATOM 0 HD12 LEU A 104 -7.763 -0.595 -8.290 1.00 0.20 H new ATOM 0 HD13 LEU A 104 -8.312 -1.849 -9.427 1.00 0.20 H new ATOM 0 HD21 LEU A 104 -10.014 0.002 -11.198 1.00 0.35 H new ATOM 0 HD22 LEU A 104 -10.518 -1.595 -10.597 1.00 0.35 H new ATOM 0 HD23 LEU A 104 -11.529 -0.166 -10.280 1.00 0.35 H new ATOM 1608 N VAL A 105 -13.156 -0.175 -5.750 1.00 0.20 N ATOM 1609 CA VAL A 105 -13.732 -0.613 -4.450 1.00 0.22 C ATOM 1610 C VAL A 105 -14.749 -1.729 -4.695 1.00 0.26 C ATOM 1611 O VAL A 105 -14.761 -2.674 -3.923 1.00 1.04 O ATOM 1612 CB VAL A 105 -14.426 0.566 -3.765 1.00 0.23 C ATOM 1613 CG1 VAL A 105 -15.514 1.121 -4.687 1.00 0.24 C ATOM 1614 CG2 VAL A 105 -15.056 0.093 -2.450 1.00 0.27 C ATOM 1615 OXT VAL A 105 -15.500 -1.620 -5.650 1.00 1.18 O ATOM 0 H VAL A 105 -13.366 0.786 -6.021 1.00 0.20 H new ATOM 0 HA VAL A 105 -12.931 -0.980 -3.808 1.00 0.22 H new ATOM 0 HB VAL A 105 -13.696 1.348 -3.555 1.00 0.23 H new ATOM 0 HG11 VAL A 105 -16.010 1.961 -4.200 1.00 0.24 H new ATOM 0 HG12 VAL A 105 -15.063 1.457 -5.621 1.00 0.24 H new ATOM 0 HG13 VAL A 105 -16.245 0.341 -4.897 1.00 0.24 H new ATOM 0 HG21 VAL A 105 -15.551 0.932 -1.961 1.00 0.27 H new ATOM 0 HG22 VAL A 105 -15.787 -0.689 -2.657 1.00 0.27 H new ATOM 0 HG23 VAL A 105 -14.279 -0.301 -1.795 1.00 0.27 H new ATOM 1692 N ARG B 4 17.923 3.326 -1.657 1.00 0.00 N ATOM 1693 CA ARG B 4 17.624 2.518 -2.886 1.00 0.00 C ATOM 1694 C ARG B 4 17.599 3.466 -4.103 1.00 0.00 C ATOM 1695 O ARG B 4 18.592 3.624 -4.784 1.00 0.00 O ATOM 1696 CB ARG B 4 16.259 1.795 -2.705 1.00 0.00 C ATOM 1697 CG ARG B 4 16.390 0.267 -2.907 1.00 0.00 C ATOM 1698 CD ARG B 4 17.144 -0.073 -4.221 1.00 0.00 C ATOM 1699 NE ARG B 4 16.349 -1.048 -5.039 1.00 0.00 N ATOM 1700 CZ ARG B 4 15.854 -2.134 -4.508 1.00 0.00 C ATOM 1701 NH1 ARG B 4 16.096 -2.424 -3.258 1.00 0.00 N ATOM 1702 NH2 ARG B 4 15.131 -2.942 -5.234 1.00 0.00 N ATOM 0 HA ARG B 4 18.390 1.760 -3.047 1.00 0.00 H new ATOM 0 HB2 ARG B 4 15.869 1.998 -1.708 1.00 0.00 H new ATOM 0 HB3 ARG B 4 15.538 2.196 -3.417 1.00 0.00 H new ATOM 0 HG2 ARG B 4 16.920 -0.169 -2.060 1.00 0.00 H new ATOM 0 HG3 ARG B 4 15.398 -0.184 -2.929 1.00 0.00 H new ATOM 0 HD2 ARG B 4 17.318 0.837 -4.795 1.00 0.00 H new ATOM 0 HD3 ARG B 4 18.122 -0.495 -3.989 1.00 0.00 H new ATOM 0 HE ARG B 4 16.192 -0.859 -6.029 1.00 0.00 H new ATOM 0 HH11 ARG B 4 16.673 -1.802 -2.693 1.00 0.00 H new ATOM 0 HH12 ARG B 4 15.708 -3.273 -2.847 1.00 0.00 H new ATOM 0 HH21 ARG B 4 14.953 -2.725 -6.215 1.00 0.00 H new ATOM 0 HH22 ARG B 4 14.744 -3.790 -4.821 1.00 0.00 H new ATOM 1716 N TYR B 5 16.480 4.111 -4.370 1.00 0.00 N ATOM 1717 CA TYR B 5 16.400 5.066 -5.530 1.00 0.00 C ATOM 1718 C TYR B 5 15.800 6.404 -5.072 1.00 0.00 C ATOM 1719 O TYR B 5 15.726 6.692 -3.895 1.00 0.00 O ATOM 1720 CB TYR B 5 15.583 4.462 -6.693 1.00 0.00 C ATOM 1721 CG TYR B 5 14.408 3.665 -6.189 1.00 0.00 C ATOM 1722 CD1 TYR B 5 14.578 2.319 -5.818 1.00 0.00 C ATOM 1723 CD2 TYR B 5 13.137 4.256 -6.125 1.00 0.00 C ATOM 1724 CE1 TYR B 5 13.476 1.567 -5.371 1.00 0.00 C ATOM 1725 CE2 TYR B 5 12.037 3.506 -5.684 1.00 0.00 C ATOM 1726 CZ TYR B 5 12.204 2.161 -5.303 1.00 0.00 C ATOM 1727 OH TYR B 5 11.121 1.426 -4.866 1.00 0.00 O ATOM 0 H TYR B 5 15.618 4.016 -3.833 1.00 0.00 H new ATOM 0 HA TYR B 5 17.410 5.246 -5.898 1.00 0.00 H new ATOM 0 HB2 TYR B 5 15.229 5.262 -7.344 1.00 0.00 H new ATOM 0 HB3 TYR B 5 16.226 3.821 -7.296 1.00 0.00 H new ATOM 0 HD1 TYR B 5 15.555 1.862 -5.876 1.00 0.00 H new ATOM 0 HD2 TYR B 5 13.006 5.288 -6.415 1.00 0.00 H new ATOM 0 HE1 TYR B 5 13.607 0.535 -5.081 1.00 0.00 H new ATOM 0 HE2 TYR B 5 11.059 3.962 -5.637 1.00 0.00 H new ATOM 0 HH TYR B 5 11.423 0.542 -4.571 1.00 0.00 H new ATOM 1737 N VAL B 6 15.429 7.242 -6.003 1.00 0.00 N ATOM 1738 CA VAL B 6 14.896 8.593 -5.645 1.00 0.00 C ATOM 1739 C VAL B 6 13.497 8.522 -5.026 1.00 0.00 C ATOM 1740 O VAL B 6 12.682 7.693 -5.378 1.00 0.00 O ATOM 1741 CB VAL B 6 14.820 9.449 -6.916 1.00 0.00 C ATOM 1742 CG1 VAL B 6 14.783 10.931 -6.538 1.00 0.00 C ATOM 1743 CG2 VAL B 6 16.041 9.179 -7.790 1.00 0.00 C ATOM 0 H VAL B 6 15.472 7.049 -7.004 1.00 0.00 H new ATOM 0 HA VAL B 6 15.570 9.028 -4.907 1.00 0.00 H new ATOM 0 HB VAL B 6 13.915 9.193 -7.467 1.00 0.00 H new ATOM 0 HG11 VAL B 6 14.729 11.536 -7.443 1.00 0.00 H new ATOM 0 HG12 VAL B 6 13.908 11.127 -5.918 1.00 0.00 H new ATOM 0 HG13 VAL B 6 15.685 11.188 -5.983 1.00 0.00 H new ATOM 0 HG21 VAL B 6 15.985 9.788 -8.692 1.00 0.00 H new ATOM 0 HG22 VAL B 6 16.946 9.431 -7.238 1.00 0.00 H new ATOM 0 HG23 VAL B 6 16.065 8.125 -8.065 1.00 0.00 H new ATOM 1753 N CYS B 7 13.210 9.439 -4.134 1.00 0.00 N ATOM 1754 CA CYS B 7 11.859 9.509 -3.505 1.00 0.00 C ATOM 1755 C CYS B 7 11.082 10.622 -4.202 1.00 0.00 C ATOM 1756 O CYS B 7 11.185 11.778 -3.841 1.00 0.00 O ATOM 1757 CB CYS B 7 11.987 9.842 -2.014 1.00 0.00 C ATOM 1758 SG CYS B 7 13.216 8.763 -1.240 1.00 0.00 S ATOM 0 H CYS B 7 13.866 10.151 -3.812 1.00 0.00 H new ATOM 0 HA CYS B 7 11.348 8.551 -3.605 1.00 0.00 H new ATOM 0 HB2 CYS B 7 12.278 10.885 -1.890 1.00 0.00 H new ATOM 0 HB3 CYS B 7 11.022 9.719 -1.522 1.00 0.00 H new ATOM 1763 N GLU B 8 10.325 10.299 -5.215 1.00 0.00 N ATOM 1764 CA GLU B 8 9.574 11.364 -5.941 1.00 0.00 C ATOM 1765 C GLU B 8 8.266 11.680 -5.217 1.00 0.00 C ATOM 1766 O GLU B 8 7.230 11.864 -5.830 1.00 0.00 O ATOM 1767 CB GLU B 8 9.276 10.909 -7.372 1.00 0.00 C ATOM 1768 CG GLU B 8 8.723 9.484 -7.352 1.00 0.00 C ATOM 1769 CD GLU B 8 8.063 9.171 -8.697 1.00 0.00 C ATOM 1770 OE1 GLU B 8 8.611 9.571 -9.711 1.00 0.00 O ATOM 1771 OE2 GLU B 8 7.021 8.536 -8.690 1.00 0.00 O ATOM 0 H GLU B 8 10.194 9.352 -5.570 1.00 0.00 H new ATOM 0 HA GLU B 8 10.187 12.265 -5.970 1.00 0.00 H new ATOM 0 HB2 GLU B 8 8.556 11.583 -7.836 1.00 0.00 H new ATOM 0 HB3 GLU B 8 10.184 10.949 -7.974 1.00 0.00 H new ATOM 0 HG2 GLU B 8 9.526 8.774 -7.156 1.00 0.00 H new ATOM 0 HG3 GLU B 8 7.998 9.376 -6.546 1.00 0.00 H new ATOM 1778 N GLY B 9 8.310 11.781 -3.918 1.00 0.00 N ATOM 1779 CA GLY B 9 7.077 12.131 -3.167 1.00 0.00 C ATOM 1780 C GLY B 9 6.740 13.594 -3.519 1.00 0.00 C ATOM 1781 O GLY B 9 6.736 13.926 -4.687 1.00 0.00 O ATOM 0 H GLY B 9 9.143 11.637 -3.348 1.00 0.00 H new ATOM 0 HA2 GLY B 9 6.256 11.469 -3.442 1.00 0.00 H new ATOM 0 HA3 GLY B 9 7.233 12.018 -2.094 1.00 0.00 H new ATOM 1785 N PRO B 10 6.493 14.456 -2.546 1.00 0.00 N ATOM 1786 CA PRO B 10 6.202 15.867 -2.862 1.00 0.00 C ATOM 1787 C PRO B 10 7.471 16.536 -3.422 1.00 0.00 C ATOM 1788 O PRO B 10 7.637 17.738 -3.351 1.00 0.00 O ATOM 1789 CB PRO B 10 5.776 16.501 -1.517 1.00 0.00 C ATOM 1790 CG PRO B 10 5.986 15.425 -0.411 1.00 0.00 C ATOM 1791 CD PRO B 10 6.464 14.128 -1.103 1.00 0.00 C ATOM 0 HA PRO B 10 5.422 15.984 -3.615 1.00 0.00 H new ATOM 0 HB2 PRO B 10 6.370 17.390 -1.306 1.00 0.00 H new ATOM 0 HB3 PRO B 10 4.733 16.816 -1.554 1.00 0.00 H new ATOM 0 HG2 PRO B 10 6.723 15.764 0.317 1.00 0.00 H new ATOM 0 HG3 PRO B 10 5.058 15.249 0.133 1.00 0.00 H new ATOM 0 HD2 PRO B 10 7.450 13.829 -0.746 1.00 0.00 H new ATOM 0 HD3 PRO B 10 5.786 13.299 -0.900 1.00 0.00 H new ATOM 1799 N SER B 11 8.363 15.755 -3.972 1.00 0.00 N ATOM 1800 CA SER B 11 9.627 16.311 -4.536 1.00 0.00 C ATOM 1801 C SER B 11 9.434 16.623 -6.023 1.00 0.00 C ATOM 1802 O SER B 11 10.243 17.294 -6.635 1.00 0.00 O ATOM 1803 CB SER B 11 10.743 15.273 -4.380 1.00 0.00 C ATOM 1804 OG SER B 11 11.996 15.885 -4.660 1.00 0.00 O ATOM 0 H SER B 11 8.268 14.743 -4.055 1.00 0.00 H new ATOM 0 HA SER B 11 9.892 17.226 -4.006 1.00 0.00 H new ATOM 0 HB2 SER B 11 10.741 14.869 -3.368 1.00 0.00 H new ATOM 0 HB3 SER B 11 10.574 14.436 -5.058 1.00 0.00 H new ATOM 0 HG SER B 11 11.877 16.575 -5.346 1.00 0.00 H new