USER MOD reduce.3.24.130724 H: found=0, std=0, add=524, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 519 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 45 ASN : amide:sc= 0.0205 X(o=-2.3,f=-2.8) USER MOD Set 1.2: A 54 HIS : no HD1:sc= -2.31 X(o=-2.3,f=-2.8) USER MOD Set 1.3: A 55 THR OG1 : rot -140:sc= 0 USER MOD Set 2.1: A 18 TYR OH : rot -85:sc= 0.442 USER MOD Set 2.2: A 27 HIS : no HD1:sc= -0.0288 X(o=0.41,f=0.031) USER MOD Single : A 1 SER N :NH3+ 158:sc= -0.878 (180deg=-2.13!) USER MOD Single : A 1 SER OG : rot 101:sc= 0.545 USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.302 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 12 ASN :FLIP amide:sc= -0.602 F(o=-2.4!,f=-0.6) USER MOD Single : A 13 ASN : amide:sc= -9.42! C(o=-9.4!,f=-17!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ -171:sc= 0.606 (180deg=0.388) USER MOD Single : A 24 SER OG : rot 180:sc= -0.028 USER MOD Single : A 28 GLN : amide:sc= -4.04 K(o=-4,f=-5.3) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 119:sc= -1.59 USER MOD Single : A 35 SER OG : rot -76:sc= 1.39 USER MOD Single : A 36 TYR OH : rot -52:sc= 0.175 USER MOD Single : A 37 THR OG1 : rot -49:sc= 0.544 USER MOD Single : A 39 GLN : amide:sc= -1.99 X(o=-2,f=-2) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -3.64! C(o=-3.6!,f=-9.5!) USER MOD Single : A 50 SER OG : rot 83:sc= 0.503 USER MOD Single : A 59 SER OG : rot 26:sc= 0.56 USER MOD Single : A 60 SER OG : rot 180:sc= -0.0852 USER MOD Single : A 65 ASN :FLIP amide:sc= -0.115 F(o=-0.73,f=-0.11) USER MOD Single : A 70 LYS NZ :NH3+ -173:sc= -0.766 (180deg=-0.838) USER MOD Single : A 71 SER OG : rot -75:sc= 0.714 USER MOD Single : A 75 GLN : amide:sc= -0.282 K(o=-0.28,f=-1.7) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -10.144 -5.699 1.703 1.00 0.00 N ATOM 2 CA SER A 1 -9.172 -4.872 0.935 1.00 0.00 C ATOM 3 C SER A 1 -7.739 -5.293 1.275 1.00 0.00 C ATOM 4 O SER A 1 -7.479 -5.780 2.358 1.00 0.00 O ATOM 5 CB SER A 1 -9.373 -3.393 1.286 1.00 0.00 C ATOM 6 OG SER A 1 -8.304 -2.712 0.650 1.00 0.00 O ATOM 0 H1 SER A 1 -11.052 -5.196 1.769 1.00 0.00 H new ATOM 0 H2 SER A 1 -10.286 -6.608 1.218 1.00 0.00 H new ATOM 0 H3 SER A 1 -9.774 -5.872 2.659 1.00 0.00 H new ATOM 0 HA SER A 1 -9.340 -5.020 -0.132 1.00 0.00 H new ATOM 0 HB2 SER A 1 -10.338 -3.031 0.930 1.00 0.00 H new ATOM 0 HB3 SER A 1 -9.353 -3.238 2.365 1.00 0.00 H new ATOM 0 HG SER A 1 -8.628 -2.291 -0.173 1.00 0.00 H new ATOM 11 N ALA A 2 -6.851 -5.087 0.330 1.00 0.00 N ATOM 12 CA ALA A 2 -5.424 -5.460 0.555 1.00 0.00 C ATOM 13 C ALA A 2 -4.460 -4.792 -0.432 1.00 0.00 C ATOM 14 O ALA A 2 -4.698 -4.746 -1.624 1.00 0.00 O ATOM 15 CB ALA A 2 -5.275 -6.988 0.435 1.00 0.00 C ATOM 0 H ALA A 2 -7.055 -4.678 -0.582 1.00 0.00 H new ATOM 0 HA ALA A 2 -5.160 -5.110 1.553 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -4.234 -7.266 0.599 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -5.902 -7.475 1.182 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -5.583 -7.307 -0.561 1.00 0.00 H new ATOM 21 N PHE A 3 -3.391 -4.287 0.129 1.00 0.00 N ATOM 22 CA PHE A 3 -2.332 -3.602 -0.660 1.00 0.00 C ATOM 23 C PHE A 3 -1.146 -4.567 -0.846 1.00 0.00 C ATOM 24 O PHE A 3 -0.409 -4.829 0.086 1.00 0.00 O ATOM 25 CB PHE A 3 -1.954 -2.362 0.127 1.00 0.00 C ATOM 26 CG PHE A 3 -0.844 -1.552 -0.555 1.00 0.00 C ATOM 27 CD1 PHE A 3 -1.104 -0.788 -1.678 1.00 0.00 C ATOM 28 CD2 PHE A 3 0.431 -1.568 -0.028 1.00 0.00 C ATOM 29 CE1 PHE A 3 -0.099 -0.047 -2.263 1.00 0.00 C ATOM 30 CE2 PHE A 3 1.430 -0.829 -0.612 1.00 0.00 C ATOM 31 CZ PHE A 3 1.170 -0.068 -1.727 1.00 0.00 C ATOM 0 H PHE A 3 -3.207 -4.324 1.132 1.00 0.00 H new ATOM 0 HA PHE A 3 -2.662 -3.313 -1.658 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -2.835 -1.732 0.253 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -1.626 -2.654 1.125 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -2.099 -0.772 -2.099 1.00 0.00 H new ATOM 0 HD2 PHE A 3 0.644 -2.164 0.847 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -0.306 0.549 -3.140 1.00 0.00 H new ATOM 0 HE2 PHE A 3 2.425 -0.846 -0.193 1.00 0.00 H new ATOM 0 HZ PHE A 3 1.959 0.512 -2.182 1.00 0.00 H new ATOM 41 N THR A 4 -1.003 -5.064 -2.050 1.00 0.00 N ATOM 42 CA THR A 4 0.105 -6.017 -2.373 1.00 0.00 C ATOM 43 C THR A 4 1.307 -5.217 -2.879 1.00 0.00 C ATOM 44 O THR A 4 1.136 -4.149 -3.427 1.00 0.00 O ATOM 45 CB THR A 4 -0.383 -6.994 -3.457 1.00 0.00 C ATOM 46 OG1 THR A 4 -1.536 -7.608 -2.899 1.00 0.00 O ATOM 47 CG2 THR A 4 0.608 -8.157 -3.666 1.00 0.00 C ATOM 0 H THR A 4 -1.617 -4.846 -2.835 1.00 0.00 H new ATOM 0 HA THR A 4 0.398 -6.583 -1.489 1.00 0.00 H new ATOM 0 HB THR A 4 -0.527 -6.457 -4.394 1.00 0.00 H new ATOM 0 HG1 THR A 4 -1.908 -8.249 -3.540 1.00 0.00 H new ATOM 0 HG21 THR A 4 0.228 -8.825 -4.439 1.00 0.00 H new ATOM 0 HG22 THR A 4 1.575 -7.760 -3.973 1.00 0.00 H new ATOM 0 HG23 THR A 4 0.722 -8.710 -2.733 1.00 0.00 H new ATOM 55 N VAL A 5 2.484 -5.751 -2.681 1.00 0.00 N ATOM 56 CA VAL A 5 3.736 -5.063 -3.133 1.00 0.00 C ATOM 57 C VAL A 5 4.859 -6.071 -3.378 1.00 0.00 C ATOM 58 O VAL A 5 4.884 -7.130 -2.780 1.00 0.00 O ATOM 59 CB VAL A 5 4.238 -4.042 -2.066 1.00 0.00 C ATOM 60 CG1 VAL A 5 3.344 -2.804 -2.008 1.00 0.00 C ATOM 61 CG2 VAL A 5 4.206 -4.683 -0.669 1.00 0.00 C ATOM 0 H VAL A 5 2.636 -6.648 -2.219 1.00 0.00 H new ATOM 0 HA VAL A 5 3.488 -4.543 -4.058 1.00 0.00 H new ATOM 0 HB VAL A 5 5.250 -3.757 -2.353 1.00 0.00 H new ATOM 0 HG11 VAL A 5 3.725 -2.115 -1.254 1.00 0.00 H new ATOM 0 HG12 VAL A 5 3.341 -2.312 -2.980 1.00 0.00 H new ATOM 0 HG13 VAL A 5 2.328 -3.101 -1.748 1.00 0.00 H new ATOM 0 HG21 VAL A 5 4.558 -3.963 0.070 1.00 0.00 H new ATOM 0 HG22 VAL A 5 3.185 -4.980 -0.428 1.00 0.00 H new ATOM 0 HG23 VAL A 5 4.852 -5.561 -0.657 1.00 0.00 H new ATOM 71 N TRP A 6 5.754 -5.696 -4.258 1.00 0.00 N ATOM 72 CA TRP A 6 6.912 -6.558 -4.608 1.00 0.00 C ATOM 73 C TRP A 6 8.187 -5.743 -4.324 1.00 0.00 C ATOM 74 O TRP A 6 8.164 -4.528 -4.365 1.00 0.00 O ATOM 75 CB TRP A 6 6.771 -6.931 -6.090 1.00 0.00 C ATOM 76 CG TRP A 6 5.455 -7.702 -6.339 1.00 0.00 C ATOM 77 CD1 TRP A 6 5.345 -9.062 -6.450 1.00 0.00 C ATOM 78 CD2 TRP A 6 4.205 -7.164 -6.491 1.00 0.00 C ATOM 79 NE1 TRP A 6 4.071 -9.274 -6.660 1.00 0.00 N ATOM 80 CE2 TRP A 6 3.304 -8.207 -6.702 1.00 0.00 C ATOM 81 CE3 TRP A 6 3.733 -5.852 -6.471 1.00 0.00 C ATOM 82 CZ2 TRP A 6 1.952 -7.946 -6.891 1.00 0.00 C ATOM 83 CZ3 TRP A 6 2.380 -5.588 -6.660 1.00 0.00 C ATOM 84 CH2 TRP A 6 1.490 -6.638 -6.870 1.00 0.00 C ATOM 0 H TRP A 6 5.725 -4.807 -4.757 1.00 0.00 H new ATOM 0 HA TRP A 6 6.958 -7.480 -4.028 1.00 0.00 H new ATOM 0 HB2 TRP A 6 6.790 -6.028 -6.700 1.00 0.00 H new ATOM 0 HB3 TRP A 6 7.620 -7.542 -6.398 1.00 0.00 H new ATOM 0 HD1 TRP A 6 6.134 -9.796 -6.380 1.00 0.00 H new ATOM 0 HE1 TRP A 6 3.694 -10.214 -6.784 1.00 0.00 H new ATOM 0 HE3 TRP A 6 4.422 -5.036 -6.308 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 1.262 -8.761 -7.054 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 2.021 -4.570 -6.644 1.00 0.00 H new ATOM 0 HH2 TRP A 6 0.440 -6.434 -7.017 1.00 0.00 H new ATOM 95 N SER A 7 9.259 -6.438 -4.043 1.00 0.00 N ATOM 96 CA SER A 7 10.580 -5.794 -3.733 1.00 0.00 C ATOM 97 C SER A 7 11.103 -4.837 -4.820 1.00 0.00 C ATOM 98 O SER A 7 11.468 -3.718 -4.517 1.00 0.00 O ATOM 99 CB SER A 7 11.610 -6.915 -3.496 1.00 0.00 C ATOM 100 OG SER A 7 12.775 -6.242 -3.038 1.00 0.00 O ATOM 0 H SER A 7 9.277 -7.457 -4.014 1.00 0.00 H new ATOM 0 HA SER A 7 10.430 -5.172 -2.851 1.00 0.00 H new ATOM 0 HB2 SER A 7 11.251 -7.633 -2.758 1.00 0.00 H new ATOM 0 HB3 SER A 7 11.808 -7.471 -4.412 1.00 0.00 H new ATOM 0 HG SER A 7 13.483 -6.896 -2.862 1.00 0.00 H new ATOM 106 N GLY A 8 11.126 -5.302 -6.043 1.00 0.00 N ATOM 107 CA GLY A 8 11.617 -4.463 -7.183 1.00 0.00 C ATOM 108 C GLY A 8 11.923 -5.348 -8.402 1.00 0.00 C ATOM 109 O GLY A 8 12.219 -6.514 -8.224 1.00 0.00 O ATOM 0 H GLY A 8 10.822 -6.240 -6.305 1.00 0.00 H new ATOM 0 HA2 GLY A 8 10.866 -3.718 -7.445 1.00 0.00 H new ATOM 0 HA3 GLY A 8 12.514 -3.920 -6.884 1.00 0.00 H new ATOM 113 N PRO A 9 11.860 -4.804 -9.599 1.00 0.00 N ATOM 114 CA PRO A 9 11.772 -3.342 -9.903 1.00 0.00 C ATOM 115 C PRO A 9 10.330 -2.854 -9.727 1.00 0.00 C ATOM 116 O PRO A 9 10.067 -1.932 -8.979 1.00 0.00 O ATOM 117 CB PRO A 9 12.279 -3.205 -11.340 1.00 0.00 C ATOM 118 CG PRO A 9 12.292 -4.628 -11.947 1.00 0.00 C ATOM 119 CD PRO A 9 11.868 -5.618 -10.846 1.00 0.00 C ATOM 0 HA PRO A 9 12.368 -2.725 -9.230 1.00 0.00 H new ATOM 0 HB2 PRO A 9 11.632 -2.545 -11.917 1.00 0.00 H new ATOM 0 HB3 PRO A 9 13.277 -2.768 -11.358 1.00 0.00 H new ATOM 0 HG2 PRO A 9 11.610 -4.687 -12.796 1.00 0.00 H new ATOM 0 HG3 PRO A 9 13.286 -4.875 -12.319 1.00 0.00 H new ATOM 0 HD2 PRO A 9 10.885 -6.042 -11.050 1.00 0.00 H new ATOM 0 HD3 PRO A 9 12.566 -6.452 -10.772 1.00 0.00 H new ATOM 127 N GLY A 10 9.446 -3.503 -10.438 1.00 0.00 N ATOM 128 CA GLY A 10 8.000 -3.166 -10.386 1.00 0.00 C ATOM 129 C GLY A 10 7.298 -4.271 -9.597 1.00 0.00 C ATOM 130 O GLY A 10 7.780 -4.714 -8.572 1.00 0.00 O ATOM 0 H GLY A 10 9.676 -4.272 -11.068 1.00 0.00 H new ATOM 0 HA2 GLY A 10 7.849 -2.198 -9.908 1.00 0.00 H new ATOM 0 HA3 GLY A 10 7.587 -3.092 -11.392 1.00 0.00 H new ATOM 134 N CYS A 11 6.176 -4.677 -10.124 1.00 0.00 N ATOM 135 CA CYS A 11 5.338 -5.745 -9.508 1.00 0.00 C ATOM 136 C CYS A 11 5.746 -7.153 -9.968 1.00 0.00 C ATOM 137 O CYS A 11 4.917 -7.997 -10.250 1.00 0.00 O ATOM 138 CB CYS A 11 3.910 -5.432 -9.888 1.00 0.00 C ATOM 139 SG CYS A 11 3.650 -5.038 -11.636 1.00 0.00 S ATOM 0 H CYS A 11 5.792 -4.297 -10.989 1.00 0.00 H new ATOM 0 HA CYS A 11 5.470 -5.753 -8.426 1.00 0.00 H new ATOM 0 HB2 CYS A 11 3.285 -6.286 -9.627 1.00 0.00 H new ATOM 0 HB3 CYS A 11 3.566 -4.590 -9.287 1.00 0.00 H new ATOM 144 N ASN A 12 7.033 -7.355 -10.022 1.00 0.00 N ATOM 145 CA ASN A 12 7.602 -8.668 -10.452 1.00 0.00 C ATOM 146 C ASN A 12 8.254 -9.262 -9.202 1.00 0.00 C ATOM 147 O ASN A 12 7.638 -9.217 -8.158 1.00 0.00 O ATOM 148 CB ASN A 12 8.607 -8.365 -11.588 1.00 0.00 C ATOM 149 CG ASN A 12 7.858 -7.612 -12.705 1.00 0.00 C ATOM 150 OD1 ASN A 12 7.424 -6.401 -12.467 1.00 0.00 O flip ATOM 151 ND2 ASN A 12 7.659 -8.116 -13.791 1.00 0.00 N flip ATOM 0 H ASN A 12 7.731 -6.651 -9.781 1.00 0.00 H new ATOM 0 HA ASN A 12 6.877 -9.384 -10.838 1.00 0.00 H new ATOM 0 HB2 ASN A 12 9.435 -7.763 -11.213 1.00 0.00 H new ATOM 0 HB3 ASN A 12 9.035 -9.290 -11.974 1.00 0.00 H new ATOM 0 HD21 ASN A 12 7.994 -9.060 -13.984 1.00 0.00 H new ATOM 0 HD22 ASN A 12 7.157 -7.596 -14.510 1.00 0.00 H new ATOM 158 N ASN A 13 9.449 -9.792 -9.319 1.00 0.00 N ATOM 159 CA ASN A 13 10.182 -10.397 -8.153 1.00 0.00 C ATOM 160 C ASN A 13 9.276 -11.117 -7.114 1.00 0.00 C ATOM 161 O ASN A 13 8.330 -11.775 -7.503 1.00 0.00 O ATOM 162 CB ASN A 13 10.991 -9.233 -7.525 1.00 0.00 C ATOM 163 CG ASN A 13 10.046 -8.179 -6.933 1.00 0.00 C ATOM 164 OD1 ASN A 13 9.786 -8.219 -5.752 1.00 0.00 O ATOM 165 ND2 ASN A 13 9.512 -7.240 -7.677 1.00 0.00 N ATOM 0 H ASN A 13 9.963 -9.833 -10.199 1.00 0.00 H new ATOM 0 HA ASN A 13 10.824 -11.206 -8.502 1.00 0.00 H new ATOM 0 HB2 ASN A 13 11.649 -9.618 -6.746 1.00 0.00 H new ATOM 0 HB3 ASN A 13 11.628 -8.775 -8.282 1.00 0.00 H new ATOM 0 HD21 ASN A 13 8.885 -6.553 -7.259 1.00 0.00 H new ATOM 0 HD22 ASN A 13 9.724 -7.197 -8.674 1.00 0.00 H new ATOM 172 N ARG A 14 9.577 -10.985 -5.840 1.00 0.00 N ATOM 173 CA ARG A 14 8.745 -11.651 -4.783 1.00 0.00 C ATOM 174 C ARG A 14 7.609 -10.707 -4.355 1.00 0.00 C ATOM 175 O ARG A 14 7.726 -9.509 -4.515 1.00 0.00 O ATOM 176 CB ARG A 14 9.633 -11.991 -3.556 1.00 0.00 C ATOM 177 CG ARG A 14 10.026 -10.728 -2.744 1.00 0.00 C ATOM 178 CD ARG A 14 10.831 -11.175 -1.508 1.00 0.00 C ATOM 179 NE ARG A 14 10.913 -10.043 -0.529 1.00 0.00 N ATOM 180 CZ ARG A 14 9.902 -9.734 0.249 1.00 0.00 C ATOM 181 NH1 ARG A 14 8.779 -10.400 0.186 1.00 0.00 N ATOM 182 NH2 ARG A 14 10.050 -8.746 1.086 1.00 0.00 N ATOM 0 H ARG A 14 10.366 -10.443 -5.487 1.00 0.00 H new ATOM 0 HA ARG A 14 8.320 -12.571 -5.183 1.00 0.00 H new ATOM 0 HB2 ARG A 14 9.101 -12.686 -2.907 1.00 0.00 H new ATOM 0 HB3 ARG A 14 10.537 -12.498 -3.894 1.00 0.00 H new ATOM 0 HG2 ARG A 14 10.620 -10.051 -3.359 1.00 0.00 H new ATOM 0 HG3 ARG A 14 9.134 -10.181 -2.438 1.00 0.00 H new ATOM 0 HD2 ARG A 14 10.355 -12.038 -1.043 1.00 0.00 H new ATOM 0 HD3 ARG A 14 11.832 -11.486 -1.806 1.00 0.00 H new ATOM 0 HE ARG A 14 11.774 -9.500 -0.466 1.00 0.00 H new ATOM 0 HH11 ARG A 14 8.680 -11.171 -0.474 1.00 0.00 H new ATOM 0 HH12 ARG A 14 8.002 -10.148 0.797 1.00 0.00 H new ATOM 0 HH21 ARG A 14 10.933 -8.237 1.123 1.00 0.00 H new ATOM 0 HH22 ARG A 14 9.283 -8.482 1.704 1.00 0.00 H new ATOM 196 N ALA A 15 6.554 -11.274 -3.822 1.00 0.00 N ATOM 197 CA ALA A 15 5.378 -10.462 -3.364 1.00 0.00 C ATOM 198 C ALA A 15 5.295 -10.383 -1.831 1.00 0.00 C ATOM 199 O ALA A 15 6.023 -11.054 -1.126 1.00 0.00 O ATOM 200 CB ALA A 15 4.098 -11.105 -3.914 1.00 0.00 C ATOM 0 H ALA A 15 6.455 -12.279 -3.682 1.00 0.00 H new ATOM 0 HA ALA A 15 5.495 -9.445 -3.737 1.00 0.00 H new ATOM 0 HB1 ALA A 15 3.232 -10.527 -3.590 1.00 0.00 H new ATOM 0 HB2 ALA A 15 4.138 -11.120 -5.003 1.00 0.00 H new ATOM 0 HB3 ALA A 15 4.014 -12.125 -3.540 1.00 0.00 H new ATOM 206 N GLU A 16 4.391 -9.546 -1.379 1.00 0.00 N ATOM 207 CA GLU A 16 4.155 -9.333 0.085 1.00 0.00 C ATOM 208 C GLU A 16 2.903 -8.456 0.225 1.00 0.00 C ATOM 209 O GLU A 16 2.837 -7.388 -0.350 1.00 0.00 O ATOM 210 CB GLU A 16 5.356 -8.605 0.725 1.00 0.00 C ATOM 211 CG GLU A 16 5.155 -8.536 2.265 1.00 0.00 C ATOM 212 CD GLU A 16 6.333 -7.852 3.000 1.00 0.00 C ATOM 213 OE1 GLU A 16 7.366 -7.620 2.391 1.00 0.00 O ATOM 214 OE2 GLU A 16 6.118 -7.593 4.172 1.00 0.00 O ATOM 0 H GLU A 16 3.790 -8.985 -1.983 1.00 0.00 H new ATOM 0 HA GLU A 16 4.027 -10.292 0.587 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.281 -9.131 0.491 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.448 -7.600 0.313 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.235 -7.993 2.482 1.00 0.00 H new ATOM 0 HG3 GLU A 16 5.028 -9.546 2.655 1.00 0.00 H new ATOM 221 N ARG A 17 1.947 -8.932 0.982 1.00 0.00 N ATOM 222 CA ARG A 17 0.680 -8.178 1.196 1.00 0.00 C ATOM 223 C ARG A 17 0.648 -7.389 2.508 1.00 0.00 C ATOM 224 O ARG A 17 1.331 -7.704 3.464 1.00 0.00 O ATOM 225 CB ARG A 17 -0.472 -9.184 1.158 1.00 0.00 C ATOM 226 CG ARG A 17 -0.689 -9.657 -0.293 1.00 0.00 C ATOM 227 CD ARG A 17 -1.867 -10.638 -0.346 1.00 0.00 C ATOM 228 NE ARG A 17 -2.088 -11.017 -1.777 1.00 0.00 N ATOM 229 CZ ARG A 17 -3.116 -11.743 -2.142 1.00 0.00 C ATOM 230 NH1 ARG A 17 -3.982 -12.158 -1.256 1.00 0.00 N ATOM 231 NH2 ARG A 17 -3.244 -12.034 -3.406 1.00 0.00 N ATOM 0 H ARG A 17 1.995 -9.827 1.468 1.00 0.00 H new ATOM 0 HA ARG A 17 0.592 -7.433 0.405 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -0.247 -10.036 1.800 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -1.383 -8.726 1.543 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -0.886 -8.801 -0.939 1.00 0.00 H new ATOM 0 HG3 ARG A 17 0.214 -10.138 -0.668 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -1.654 -11.523 0.254 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -2.764 -10.179 0.070 1.00 0.00 H new ATOM 0 HE ARG A 17 -1.423 -10.703 -2.484 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -3.860 -11.917 -0.272 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -4.780 -12.723 -1.548 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -2.555 -11.698 -4.079 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -4.033 -12.597 -3.722 1.00 0.00 H new ATOM 245 N TYR A 18 -0.173 -6.373 2.473 1.00 0.00 N ATOM 246 CA TYR A 18 -0.384 -5.455 3.631 1.00 0.00 C ATOM 247 C TYR A 18 -1.899 -5.201 3.681 1.00 0.00 C ATOM 248 O TYR A 18 -2.406 -4.332 2.998 1.00 0.00 O ATOM 249 CB TYR A 18 0.388 -4.132 3.393 1.00 0.00 C ATOM 250 CG TYR A 18 1.914 -4.339 3.505 1.00 0.00 C ATOM 251 CD1 TYR A 18 2.653 -4.846 2.452 1.00 0.00 C ATOM 252 CD2 TYR A 18 2.574 -4.004 4.672 1.00 0.00 C ATOM 253 CE1 TYR A 18 4.020 -5.010 2.571 1.00 0.00 C ATOM 254 CE2 TYR A 18 3.936 -4.169 4.787 1.00 0.00 C ATOM 255 CZ TYR A 18 4.671 -4.672 3.737 1.00 0.00 C ATOM 256 OH TYR A 18 6.038 -4.826 3.850 1.00 0.00 O ATOM 0 H TYR A 18 -0.729 -6.133 1.653 1.00 0.00 H new ATOM 0 HA TYR A 18 -0.022 -5.877 4.568 1.00 0.00 H new ATOM 0 HB2 TYR A 18 0.144 -3.740 2.405 1.00 0.00 H new ATOM 0 HB3 TYR A 18 0.067 -3.386 4.120 1.00 0.00 H new ATOM 0 HD1 TYR A 18 2.159 -5.116 1.530 1.00 0.00 H new ATOM 0 HD2 TYR A 18 2.014 -3.607 5.506 1.00 0.00 H new ATOM 0 HE1 TYR A 18 4.584 -5.408 1.740 1.00 0.00 H new ATOM 0 HE2 TYR A 18 4.432 -3.902 5.708 1.00 0.00 H new ATOM 0 HH TYR A 18 6.243 -5.747 4.116 1.00 0.00 H new ATOM 266 N SER A 19 -2.570 -5.982 4.494 1.00 0.00 N ATOM 267 CA SER A 19 -4.059 -5.861 4.652 1.00 0.00 C ATOM 268 C SER A 19 -4.494 -5.791 6.128 1.00 0.00 C ATOM 269 O SER A 19 -5.661 -5.940 6.433 1.00 0.00 O ATOM 270 CB SER A 19 -4.707 -7.077 3.962 1.00 0.00 C ATOM 271 OG SER A 19 -4.192 -8.205 4.654 1.00 0.00 O ATOM 0 H SER A 19 -2.143 -6.711 5.065 1.00 0.00 H new ATOM 0 HA SER A 19 -4.385 -4.928 4.193 1.00 0.00 H new ATOM 0 HB2 SER A 19 -5.794 -7.036 4.027 1.00 0.00 H new ATOM 0 HB3 SER A 19 -4.452 -7.113 2.903 1.00 0.00 H new ATOM 0 HG SER A 19 -4.565 -9.024 4.267 1.00 0.00 H new ATOM 277 N LYS A 20 -3.539 -5.565 6.998 1.00 0.00 N ATOM 278 CA LYS A 20 -3.817 -5.473 8.467 1.00 0.00 C ATOM 279 C LYS A 20 -4.901 -4.421 8.757 1.00 0.00 C ATOM 280 O LYS A 20 -4.795 -3.297 8.305 1.00 0.00 O ATOM 281 CB LYS A 20 -2.469 -5.129 9.162 1.00 0.00 C ATOM 282 CG LYS A 20 -2.611 -5.005 10.703 1.00 0.00 C ATOM 283 CD LYS A 20 -3.002 -3.561 11.111 1.00 0.00 C ATOM 284 CE LYS A 20 -3.163 -3.475 12.635 1.00 0.00 C ATOM 285 NZ LYS A 20 -4.237 -4.402 13.090 1.00 0.00 N ATOM 0 H LYS A 20 -2.559 -5.438 6.746 1.00 0.00 H new ATOM 0 HA LYS A 20 -4.205 -6.416 8.853 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -1.736 -5.901 8.929 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -2.084 -4.192 8.759 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -3.367 -5.705 11.060 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -1.671 -5.280 11.182 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -2.237 -2.860 10.777 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -3.933 -3.275 10.621 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.222 -3.729 13.123 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -3.407 -2.453 12.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -4.443 -4.228 14.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -5.096 -4.241 12.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -3.922 -5.385 12.967 1.00 0.00 H new ATOM 299 N CYS A 21 -5.907 -4.821 9.502 1.00 0.00 N ATOM 300 CA CYS A 21 -7.019 -3.876 9.843 1.00 0.00 C ATOM 301 C CYS A 21 -6.485 -2.806 10.809 1.00 0.00 C ATOM 302 O CYS A 21 -6.445 -2.975 12.013 1.00 0.00 O ATOM 303 CB CYS A 21 -8.172 -4.641 10.509 1.00 0.00 C ATOM 304 SG CYS A 21 -9.715 -3.708 10.667 1.00 0.00 S ATOM 0 H CYS A 21 -6.005 -5.760 9.888 1.00 0.00 H new ATOM 0 HA CYS A 21 -7.388 -3.404 8.933 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -8.369 -5.546 9.934 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -7.853 -4.958 11.502 1.00 0.00 H new ATOM 309 N GLY A 22 -6.089 -1.728 10.196 1.00 0.00 N ATOM 310 CA GLY A 22 -5.526 -0.546 10.903 1.00 0.00 C ATOM 311 C GLY A 22 -4.511 -0.048 9.888 1.00 0.00 C ATOM 312 O GLY A 22 -4.899 0.517 8.886 1.00 0.00 O ATOM 0 H GLY A 22 -6.136 -1.614 9.183 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -6.287 0.202 11.124 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -5.061 -0.817 11.851 1.00 0.00 H new ATOM 316 N CYS A 23 -3.248 -0.269 10.163 1.00 0.00 N ATOM 317 CA CYS A 23 -2.195 0.186 9.205 1.00 0.00 C ATOM 318 C CYS A 23 -0.867 -0.507 9.484 1.00 0.00 C ATOM 319 O CYS A 23 -0.664 -1.086 10.534 1.00 0.00 O ATOM 320 CB CYS A 23 -1.959 1.697 9.309 1.00 0.00 C ATOM 321 SG CYS A 23 -0.800 2.354 10.532 1.00 0.00 S ATOM 0 H CYS A 23 -2.904 -0.740 11.000 1.00 0.00 H new ATOM 0 HA CYS A 23 -2.554 -0.067 8.207 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -1.625 2.040 8.330 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -2.926 2.163 9.497 1.00 0.00 H new ATOM 326 N SER A 24 0.001 -0.414 8.511 1.00 0.00 N ATOM 327 CA SER A 24 1.351 -1.040 8.624 1.00 0.00 C ATOM 328 C SER A 24 2.343 -0.373 7.665 1.00 0.00 C ATOM 329 O SER A 24 1.972 0.082 6.600 1.00 0.00 O ATOM 330 CB SER A 24 1.215 -2.542 8.302 1.00 0.00 C ATOM 331 OG SER A 24 0.570 -2.581 7.035 1.00 0.00 O ATOM 0 H SER A 24 -0.171 0.075 7.632 1.00 0.00 H new ATOM 0 HA SER A 24 1.735 -0.907 9.636 1.00 0.00 H new ATOM 0 HB2 SER A 24 2.189 -3.029 8.266 1.00 0.00 H new ATOM 0 HB3 SER A 24 0.628 -3.059 9.062 1.00 0.00 H new ATOM 0 HG SER A 24 0.448 -3.513 6.758 1.00 0.00 H new ATOM 337 N ALA A 25 3.581 -0.345 8.090 1.00 0.00 N ATOM 338 CA ALA A 25 4.660 0.271 7.265 1.00 0.00 C ATOM 339 C ALA A 25 5.090 -0.714 6.172 1.00 0.00 C ATOM 340 O ALA A 25 5.430 -1.849 6.441 1.00 0.00 O ATOM 341 CB ALA A 25 5.851 0.609 8.174 1.00 0.00 C ATOM 0 H ALA A 25 3.891 -0.727 8.983 1.00 0.00 H new ATOM 0 HA ALA A 25 4.297 1.184 6.793 1.00 0.00 H new ATOM 0 HB1 ALA A 25 6.646 1.060 7.580 1.00 0.00 H new ATOM 0 HB2 ALA A 25 5.532 1.310 8.946 1.00 0.00 H new ATOM 0 HB3 ALA A 25 6.221 -0.303 8.643 1.00 0.00 H new ATOM 347 N ILE A 26 5.055 -0.217 4.964 1.00 0.00 N ATOM 348 CA ILE A 26 5.435 -1.018 3.761 1.00 0.00 C ATOM 349 C ILE A 26 6.966 -1.070 3.672 1.00 0.00 C ATOM 350 O ILE A 26 7.640 -0.145 4.082 1.00 0.00 O ATOM 351 CB ILE A 26 4.801 -0.316 2.541 1.00 0.00 C ATOM 352 CG1 ILE A 26 3.246 -0.327 2.686 1.00 0.00 C ATOM 353 CG2 ILE A 26 5.196 -1.050 1.234 1.00 0.00 C ATOM 354 CD1 ILE A 26 2.643 0.852 1.903 1.00 0.00 C ATOM 0 H ILE A 26 4.770 0.740 4.755 1.00 0.00 H new ATOM 0 HA ILE A 26 5.077 -2.047 3.808 1.00 0.00 H new ATOM 0 HB ILE A 26 5.164 0.711 2.497 1.00 0.00 H new ATOM 0 HG12 ILE A 26 2.843 -1.268 2.312 1.00 0.00 H new ATOM 0 HG13 ILE A 26 2.969 -0.257 3.738 1.00 0.00 H new ATOM 0 HG21 ILE A 26 4.742 -0.545 0.381 1.00 0.00 H new ATOM 0 HG22 ILE A 26 6.281 -1.042 1.126 1.00 0.00 H new ATOM 0 HG23 ILE A 26 4.843 -2.081 1.275 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.558 0.841 2.007 1.00 0.00 H new ATOM 0 HD12 ILE A 26 3.035 1.789 2.297 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.908 0.762 0.849 1.00 0.00 H new ATOM 366 N HIS A 27 7.457 -2.161 3.137 1.00 0.00 N ATOM 367 CA HIS A 27 8.936 -2.358 2.989 1.00 0.00 C ATOM 368 C HIS A 27 9.323 -2.662 1.536 1.00 0.00 C ATOM 369 O HIS A 27 10.393 -2.290 1.092 1.00 0.00 O ATOM 370 CB HIS A 27 9.351 -3.518 3.910 1.00 0.00 C ATOM 371 CG HIS A 27 8.854 -3.216 5.331 1.00 0.00 C ATOM 372 ND1 HIS A 27 9.085 -2.122 5.981 1.00 0.00 N ATOM 373 CD2 HIS A 27 8.091 -3.976 6.202 1.00 0.00 C ATOM 374 CE1 HIS A 27 8.526 -2.179 7.146 1.00 0.00 C ATOM 375 NE2 HIS A 27 7.896 -3.314 7.326 1.00 0.00 N ATOM 0 H HIS A 27 6.889 -2.935 2.791 1.00 0.00 H new ATOM 0 HA HIS A 27 9.455 -1.441 3.268 1.00 0.00 H new ATOM 0 HB2 HIS A 27 8.927 -4.456 3.552 1.00 0.00 H new ATOM 0 HB3 HIS A 27 10.435 -3.636 3.905 1.00 0.00 H new ATOM 0 HD2 HIS A 27 7.712 -4.965 5.992 1.00 0.00 H new ATOM 0 HE1 HIS A 27 8.573 -1.388 7.880 1.00 0.00 H new ATOM 0 HE2 HIS A 27 7.374 -3.617 8.148 1.00 0.00 H new ATOM 383 N GLN A 28 8.438 -3.329 0.841 1.00 0.00 N ATOM 384 CA GLN A 28 8.684 -3.694 -0.590 1.00 0.00 C ATOM 385 C GLN A 28 8.606 -2.457 -1.482 1.00 0.00 C ATOM 386 O GLN A 28 7.547 -2.015 -1.884 1.00 0.00 O ATOM 387 CB GLN A 28 7.638 -4.721 -0.988 1.00 0.00 C ATOM 388 CG GLN A 28 7.909 -6.029 -0.252 1.00 0.00 C ATOM 389 CD GLN A 28 9.076 -6.792 -0.883 1.00 0.00 C ATOM 390 OE1 GLN A 28 8.882 -7.685 -1.686 1.00 0.00 O ATOM 391 NE2 GLN A 28 10.298 -6.480 -0.550 1.00 0.00 N ATOM 0 H GLN A 28 7.540 -3.642 1.209 1.00 0.00 H new ATOM 0 HA GLN A 28 9.683 -4.112 -0.711 1.00 0.00 H new ATOM 0 HB2 GLN A 28 6.641 -4.354 -0.745 1.00 0.00 H new ATOM 0 HB3 GLN A 28 7.664 -4.885 -2.065 1.00 0.00 H new ATOM 0 HG2 GLN A 28 8.132 -5.820 0.794 1.00 0.00 H new ATOM 0 HG3 GLN A 28 7.014 -6.651 -0.269 1.00 0.00 H new ATOM 0 HE21 GLN A 28 10.468 -5.732 0.123 1.00 0.00 H new ATOM 0 HE22 GLN A 28 11.083 -6.984 -0.962 1.00 0.00 H new ATOM 400 N LYS A 29 9.783 -1.958 -1.743 1.00 0.00 N ATOM 401 CA LYS A 29 9.971 -0.743 -2.593 1.00 0.00 C ATOM 402 C LYS A 29 10.141 -1.165 -4.065 1.00 0.00 C ATOM 403 O LYS A 29 11.163 -0.915 -4.677 1.00 0.00 O ATOM 404 CB LYS A 29 11.216 0.002 -2.050 1.00 0.00 C ATOM 405 CG LYS A 29 11.370 1.395 -2.720 1.00 0.00 C ATOM 406 CD LYS A 29 12.625 2.127 -2.181 1.00 0.00 C ATOM 407 CE LYS A 29 13.918 1.392 -2.591 1.00 0.00 C ATOM 408 NZ LYS A 29 15.101 2.144 -2.086 1.00 0.00 N ATOM 0 H LYS A 29 10.653 -2.356 -1.390 1.00 0.00 H new ATOM 0 HA LYS A 29 9.107 -0.079 -2.553 1.00 0.00 H new ATOM 0 HB2 LYS A 29 11.130 0.122 -0.970 1.00 0.00 H new ATOM 0 HB3 LYS A 29 12.110 -0.594 -2.234 1.00 0.00 H new ATOM 0 HG2 LYS A 29 11.448 1.277 -3.801 1.00 0.00 H new ATOM 0 HG3 LYS A 29 10.482 1.997 -2.528 1.00 0.00 H new ATOM 0 HD2 LYS A 29 12.647 3.147 -2.564 1.00 0.00 H new ATOM 0 HD3 LYS A 29 12.571 2.195 -1.094 1.00 0.00 H new ATOM 0 HE2 LYS A 29 13.917 0.380 -2.186 1.00 0.00 H new ATOM 0 HE3 LYS A 29 13.968 1.301 -3.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 15.972 1.648 -2.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 15.104 3.101 -2.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 15.054 2.209 -1.049 1.00 0.00 H new ATOM 422 N GLY A 30 9.125 -1.801 -4.591 1.00 0.00 N ATOM 423 CA GLY A 30 9.163 -2.267 -6.013 1.00 0.00 C ATOM 424 C GLY A 30 7.841 -1.986 -6.711 1.00 0.00 C ATOM 425 O GLY A 30 7.673 -0.935 -7.294 1.00 0.00 O ATOM 0 H GLY A 30 8.262 -2.020 -4.092 1.00 0.00 H new ATOM 0 HA2 GLY A 30 9.973 -1.765 -6.543 1.00 0.00 H new ATOM 0 HA3 GLY A 30 9.376 -3.336 -6.044 1.00 0.00 H new ATOM 429 N GLY A 31 6.943 -2.935 -6.634 1.00 0.00 N ATOM 430 CA GLY A 31 5.603 -2.777 -7.277 1.00 0.00 C ATOM 431 C GLY A 31 4.577 -2.459 -6.195 1.00 0.00 C ATOM 432 O GLY A 31 4.809 -2.769 -5.043 1.00 0.00 O ATOM 0 H GLY A 31 7.082 -3.821 -6.148 1.00 0.00 H new ATOM 0 HA2 GLY A 31 5.631 -1.978 -8.018 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.326 -3.690 -7.804 1.00 0.00 H new ATOM 436 N TYR A 32 3.480 -1.854 -6.585 1.00 0.00 N ATOM 437 CA TYR A 32 2.426 -1.506 -5.576 1.00 0.00 C ATOM 438 C TYR A 32 1.046 -1.672 -6.195 1.00 0.00 C ATOM 439 O TYR A 32 0.690 -1.001 -7.138 1.00 0.00 O ATOM 440 CB TYR A 32 2.611 -0.040 -5.105 1.00 0.00 C ATOM 441 CG TYR A 32 4.113 0.265 -5.009 1.00 0.00 C ATOM 442 CD1 TYR A 32 4.873 -0.071 -3.904 1.00 0.00 C ATOM 443 CD2 TYR A 32 4.729 0.867 -6.084 1.00 0.00 C ATOM 444 CE1 TYR A 32 6.227 0.190 -3.886 1.00 0.00 C ATOM 445 CE2 TYR A 32 6.073 1.123 -6.059 1.00 0.00 C ATOM 446 CZ TYR A 32 6.836 0.788 -4.967 1.00 0.00 C ATOM 447 OH TYR A 32 8.192 1.037 -4.978 1.00 0.00 O ATOM 0 H TYR A 32 3.269 -1.588 -7.547 1.00 0.00 H new ATOM 0 HA TYR A 32 2.520 -2.173 -4.719 1.00 0.00 H new ATOM 0 HB2 TYR A 32 2.131 0.644 -5.805 1.00 0.00 H new ATOM 0 HB3 TYR A 32 2.133 0.108 -4.136 1.00 0.00 H new ATOM 0 HD1 TYR A 32 4.404 -0.540 -3.051 1.00 0.00 H new ATOM 0 HD2 TYR A 32 4.147 1.139 -6.952 1.00 0.00 H new ATOM 0 HE1 TYR A 32 6.813 -0.076 -3.019 1.00 0.00 H new ATOM 0 HE2 TYR A 32 6.541 1.595 -6.910 1.00 0.00 H new ATOM 0 HH TYR A 32 8.610 0.541 -5.713 1.00 0.00 H new ATOM 457 N ASP A 33 0.303 -2.574 -5.626 1.00 0.00 N ATOM 458 CA ASP A 33 -1.074 -2.876 -6.096 1.00 0.00 C ATOM 459 C ASP A 33 -2.020 -2.769 -4.895 1.00 0.00 C ATOM 460 O ASP A 33 -1.613 -2.959 -3.767 1.00 0.00 O ATOM 461 CB ASP A 33 -1.088 -4.308 -6.674 1.00 0.00 C ATOM 462 CG ASP A 33 -2.507 -4.859 -6.970 1.00 0.00 C ATOM 463 OD1 ASP A 33 -3.385 -4.086 -7.322 1.00 0.00 O ATOM 464 OD2 ASP A 33 -2.637 -6.064 -6.826 1.00 0.00 O ATOM 0 H ASP A 33 0.604 -3.133 -4.828 1.00 0.00 H new ATOM 0 HA ASP A 33 -1.394 -2.178 -6.870 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -0.505 -4.322 -7.595 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -0.590 -4.976 -5.972 1.00 0.00 H new ATOM 469 N PHE A 34 -3.251 -2.462 -5.193 1.00 0.00 N ATOM 470 CA PHE A 34 -4.308 -2.324 -4.155 1.00 0.00 C ATOM 471 C PHE A 34 -5.530 -3.094 -4.656 1.00 0.00 C ATOM 472 O PHE A 34 -5.690 -3.285 -5.846 1.00 0.00 O ATOM 473 CB PHE A 34 -4.663 -0.837 -3.969 1.00 0.00 C ATOM 474 CG PHE A 34 -5.777 -0.723 -2.912 1.00 0.00 C ATOM 475 CD1 PHE A 34 -5.475 -0.831 -1.568 1.00 0.00 C ATOM 476 CD2 PHE A 34 -7.094 -0.520 -3.292 1.00 0.00 C ATOM 477 CE1 PHE A 34 -6.471 -0.738 -0.619 1.00 0.00 C ATOM 478 CE2 PHE A 34 -8.089 -0.425 -2.341 1.00 0.00 C ATOM 479 CZ PHE A 34 -7.779 -0.535 -1.004 1.00 0.00 C ATOM 0 H PHE A 34 -3.577 -2.296 -6.145 1.00 0.00 H new ATOM 0 HA PHE A 34 -3.969 -2.715 -3.196 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -3.784 -0.275 -3.653 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -4.994 -0.406 -4.914 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -4.452 -0.989 -1.259 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -7.343 -0.436 -4.339 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -6.226 -0.824 0.429 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -9.113 -0.264 -2.646 1.00 0.00 H new ATOM 0 HZ PHE A 34 -8.558 -0.462 -0.259 1.00 0.00 H new ATOM 489 N SER A 35 -6.342 -3.517 -3.721 1.00 0.00 N ATOM 490 CA SER A 35 -7.581 -4.274 -4.038 1.00 0.00 C ATOM 491 C SER A 35 -8.693 -3.720 -3.146 1.00 0.00 C ATOM 492 O SER A 35 -8.522 -3.572 -1.952 1.00 0.00 O ATOM 493 CB SER A 35 -7.318 -5.757 -3.759 1.00 0.00 C ATOM 494 OG SER A 35 -7.058 -5.856 -2.366 1.00 0.00 O ATOM 0 H SER A 35 -6.189 -3.362 -2.724 1.00 0.00 H new ATOM 0 HA SER A 35 -7.878 -4.171 -5.082 1.00 0.00 H new ATOM 0 HB2 SER A 35 -8.178 -6.365 -4.039 1.00 0.00 H new ATOM 0 HB3 SER A 35 -6.470 -6.118 -4.340 1.00 0.00 H new ATOM 0 HG SER A 35 -6.154 -5.527 -2.178 1.00 0.00 H new ATOM 500 N TYR A 36 -9.799 -3.431 -3.780 1.00 0.00 N ATOM 501 CA TYR A 36 -10.988 -2.877 -3.073 1.00 0.00 C ATOM 502 C TYR A 36 -12.113 -3.921 -3.018 1.00 0.00 C ATOM 503 O TYR A 36 -12.254 -4.736 -3.908 1.00 0.00 O ATOM 504 CB TYR A 36 -11.436 -1.638 -3.840 1.00 0.00 C ATOM 505 CG TYR A 36 -12.628 -0.968 -3.141 1.00 0.00 C ATOM 506 CD1 TYR A 36 -12.422 -0.176 -2.030 1.00 0.00 C ATOM 507 CD2 TYR A 36 -13.915 -1.141 -3.610 1.00 0.00 C ATOM 508 CE1 TYR A 36 -13.484 0.432 -1.396 1.00 0.00 C ATOM 509 CE2 TYR A 36 -14.978 -0.532 -2.976 1.00 0.00 C ATOM 510 CZ TYR A 36 -14.768 0.259 -1.864 1.00 0.00 C ATOM 511 OH TYR A 36 -15.831 0.868 -1.230 1.00 0.00 O ATOM 0 H TYR A 36 -9.929 -3.560 -4.783 1.00 0.00 H new ATOM 0 HA TYR A 36 -10.738 -2.616 -2.045 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -10.609 -0.932 -3.916 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -11.713 -1.914 -4.857 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -11.420 -0.031 -1.654 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -14.091 -1.757 -4.479 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -13.308 1.048 -0.527 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -15.980 -0.675 -3.352 1.00 0.00 H new ATOM 0 HH TYR A 36 -15.801 0.664 -0.272 1.00 0.00 H new ATOM 521 N THR A 37 -12.873 -3.845 -1.957 1.00 0.00 N ATOM 522 CA THR A 37 -14.020 -4.777 -1.730 1.00 0.00 C ATOM 523 C THR A 37 -14.855 -4.170 -0.590 1.00 0.00 C ATOM 524 O THR A 37 -15.131 -4.788 0.421 1.00 0.00 O ATOM 525 CB THR A 37 -13.427 -6.188 -1.380 1.00 0.00 C ATOM 526 OG1 THR A 37 -14.530 -7.003 -1.007 1.00 0.00 O ATOM 527 CG2 THR A 37 -12.494 -6.167 -0.154 1.00 0.00 C ATOM 0 H THR A 37 -12.743 -3.156 -1.217 1.00 0.00 H new ATOM 0 HA THR A 37 -14.664 -4.905 -2.600 1.00 0.00 H new ATOM 0 HB THR A 37 -12.861 -6.538 -2.243 1.00 0.00 H new ATOM 0 HG1 THR A 37 -15.081 -6.528 -0.350 1.00 0.00 H new ATOM 0 HG21 THR A 37 -12.118 -7.173 0.034 1.00 0.00 H new ATOM 0 HG22 THR A 37 -11.656 -5.496 -0.346 1.00 0.00 H new ATOM 0 HG23 THR A 37 -13.047 -5.817 0.718 1.00 0.00 H new ATOM 535 N GLY A 38 -15.236 -2.938 -0.819 1.00 0.00 N ATOM 536 CA GLY A 38 -16.043 -2.168 0.151 1.00 0.00 C ATOM 537 C GLY A 38 -15.110 -1.442 1.128 1.00 0.00 C ATOM 538 O GLY A 38 -15.406 -0.351 1.578 1.00 0.00 O ATOM 0 H GLY A 38 -15.008 -2.425 -1.671 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -16.671 -1.447 -0.373 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -16.710 -2.835 0.696 1.00 0.00 H new ATOM 542 N GLN A 39 -14.007 -2.083 1.419 1.00 0.00 N ATOM 543 CA GLN A 39 -12.997 -1.508 2.353 1.00 0.00 C ATOM 544 C GLN A 39 -12.095 -0.516 1.628 1.00 0.00 C ATOM 545 O GLN A 39 -11.420 -0.852 0.675 1.00 0.00 O ATOM 546 CB GLN A 39 -12.160 -2.643 2.944 1.00 0.00 C ATOM 547 CG GLN A 39 -12.975 -3.391 4.002 1.00 0.00 C ATOM 548 CD GLN A 39 -14.102 -4.215 3.374 1.00 0.00 C ATOM 549 OE1 GLN A 39 -13.907 -5.333 2.943 1.00 0.00 O ATOM 550 NE2 GLN A 39 -15.298 -3.699 3.302 1.00 0.00 N ATOM 0 H GLN A 39 -13.761 -2.998 1.041 1.00 0.00 H new ATOM 0 HA GLN A 39 -13.513 -0.975 3.152 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -11.853 -3.330 2.155 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -11.250 -2.242 3.389 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -12.317 -4.049 4.570 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -13.397 -2.676 4.708 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -15.471 -2.760 3.662 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -16.060 -4.234 2.886 1.00 0.00 H new ATOM 559 N THR A 40 -12.128 0.687 2.132 1.00 0.00 N ATOM 560 CA THR A 40 -11.311 1.799 1.553 1.00 0.00 C ATOM 561 C THR A 40 -9.967 1.842 2.293 1.00 0.00 C ATOM 562 O THR A 40 -9.803 1.191 3.307 1.00 0.00 O ATOM 563 CB THR A 40 -12.095 3.122 1.735 1.00 0.00 C ATOM 564 OG1 THR A 40 -13.370 2.859 1.165 1.00 0.00 O ATOM 565 CG2 THR A 40 -11.539 4.254 0.848 1.00 0.00 C ATOM 0 H THR A 40 -12.696 0.954 2.936 1.00 0.00 H new ATOM 0 HA THR A 40 -11.121 1.649 0.490 1.00 0.00 H new ATOM 0 HB THR A 40 -12.066 3.415 2.785 1.00 0.00 H new ATOM 0 HG1 THR A 40 -13.934 3.657 1.243 1.00 0.00 H new ATOM 0 HG21 THR A 40 -12.120 5.162 1.010 1.00 0.00 H new ATOM 0 HG22 THR A 40 -10.496 4.440 1.106 1.00 0.00 H new ATOM 0 HG23 THR A 40 -11.607 3.962 -0.200 1.00 0.00 H new ATOM 573 N ALA A 41 -9.044 2.605 1.764 1.00 0.00 N ATOM 574 CA ALA A 41 -7.699 2.717 2.405 1.00 0.00 C ATOM 575 C ALA A 41 -6.998 4.033 2.057 1.00 0.00 C ATOM 576 O ALA A 41 -7.164 4.567 0.976 1.00 0.00 O ATOM 577 CB ALA A 41 -6.827 1.544 1.941 1.00 0.00 C ATOM 0 H ALA A 41 -9.164 3.156 0.914 1.00 0.00 H new ATOM 0 HA ALA A 41 -7.841 2.695 3.485 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -5.843 1.617 2.404 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -7.296 0.604 2.232 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.721 1.576 0.857 1.00 0.00 H new ATOM 583 N ALA A 42 -6.233 4.500 3.011 1.00 0.00 N ATOM 584 CA ALA A 42 -5.459 5.770 2.863 1.00 0.00 C ATOM 585 C ALA A 42 -3.981 5.369 2.782 1.00 0.00 C ATOM 586 O ALA A 42 -3.591 4.369 3.349 1.00 0.00 O ATOM 587 CB ALA A 42 -5.716 6.659 4.087 1.00 0.00 C ATOM 0 H ALA A 42 -6.110 4.039 3.913 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.752 6.330 1.975 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -5.155 7.588 3.986 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -6.780 6.884 4.156 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.396 6.138 4.989 1.00 0.00 H new ATOM 593 N LEU A 43 -3.203 6.154 2.084 1.00 0.00 N ATOM 594 CA LEU A 43 -1.755 5.888 1.915 1.00 0.00 C ATOM 595 C LEU A 43 -0.979 7.078 2.484 1.00 0.00 C ATOM 596 O LEU A 43 -0.970 8.156 1.919 1.00 0.00 O ATOM 597 CB LEU A 43 -1.534 5.686 0.403 1.00 0.00 C ATOM 598 CG LEU A 43 -0.107 5.219 0.070 1.00 0.00 C ATOM 599 CD1 LEU A 43 0.243 3.968 0.874 1.00 0.00 C ATOM 600 CD2 LEU A 43 -0.067 4.846 -1.422 1.00 0.00 C ATOM 0 H LEU A 43 -3.530 6.996 1.610 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.405 5.003 2.446 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.249 4.952 0.030 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.737 6.622 -0.118 1.00 0.00 H new ATOM 0 HG LEU A 43 0.599 6.014 0.308 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.256 3.649 0.628 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.181 4.191 1.939 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.458 3.170 0.629 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.936 4.510 -1.686 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.781 4.045 -1.616 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.328 5.718 -2.022 1.00 0.00 H new ATOM 612 N TYR A 44 -0.355 6.818 3.601 1.00 0.00 N ATOM 613 CA TYR A 44 0.450 7.857 4.306 1.00 0.00 C ATOM 614 C TYR A 44 1.911 7.901 3.846 1.00 0.00 C ATOM 615 O TYR A 44 2.628 6.914 3.883 1.00 0.00 O ATOM 616 CB TYR A 44 0.368 7.566 5.813 1.00 0.00 C ATOM 617 CG TYR A 44 -1.067 7.863 6.283 1.00 0.00 C ATOM 618 CD1 TYR A 44 -1.420 9.142 6.673 1.00 0.00 C ATOM 619 CD2 TYR A 44 -2.023 6.866 6.317 1.00 0.00 C ATOM 620 CE1 TYR A 44 -2.703 9.419 7.087 1.00 0.00 C ATOM 621 CE2 TYR A 44 -3.307 7.148 6.733 1.00 0.00 C ATOM 622 CZ TYR A 44 -3.655 8.425 7.120 1.00 0.00 C ATOM 623 OH TYR A 44 -4.942 8.701 7.535 1.00 0.00 O ATOM 0 H TYR A 44 -0.370 5.909 4.064 1.00 0.00 H new ATOM 0 HA TYR A 44 0.038 8.838 4.069 1.00 0.00 H new ATOM 0 HB2 TYR A 44 0.626 6.526 6.014 1.00 0.00 H new ATOM 0 HB3 TYR A 44 1.082 8.183 6.359 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -0.682 9.931 6.653 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -1.763 5.862 6.016 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -2.965 10.423 7.388 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -4.047 6.362 6.756 1.00 0.00 H new ATOM 0 HH TYR A 44 -5.481 7.884 7.494 1.00 0.00 H new ATOM 633 N ASN A 45 2.283 9.086 3.422 1.00 0.00 N ATOM 634 CA ASN A 45 3.672 9.333 2.936 1.00 0.00 C ATOM 635 C ASN A 45 4.601 9.102 4.128 1.00 0.00 C ATOM 636 O ASN A 45 5.653 8.509 4.005 1.00 0.00 O ATOM 637 CB ASN A 45 3.781 10.783 2.432 1.00 0.00 C ATOM 638 CG ASN A 45 5.103 11.026 1.684 1.00 0.00 C ATOM 639 OD1 ASN A 45 6.040 10.254 1.741 1.00 0.00 O ATOM 640 ND2 ASN A 45 5.208 12.107 0.961 1.00 0.00 N ATOM 0 H ASN A 45 1.672 9.902 3.393 1.00 0.00 H new ATOM 0 HA ASN A 45 3.939 8.671 2.112 1.00 0.00 H new ATOM 0 HB2 ASN A 45 2.943 11.003 1.771 1.00 0.00 H new ATOM 0 HB3 ASN A 45 3.709 11.468 3.276 1.00 0.00 H new ATOM 0 HD21 ASN A 45 6.070 12.297 0.451 1.00 0.00 H new ATOM 0 HD22 ASN A 45 4.428 12.762 0.906 1.00 0.00 H new ATOM 647 N GLN A 46 4.141 9.601 5.246 1.00 0.00 N ATOM 648 CA GLN A 46 4.881 9.482 6.531 1.00 0.00 C ATOM 649 C GLN A 46 4.648 8.067 7.086 1.00 0.00 C ATOM 650 O GLN A 46 3.676 7.417 6.747 1.00 0.00 O ATOM 651 CB GLN A 46 4.370 10.558 7.538 1.00 0.00 C ATOM 652 CG GLN A 46 2.833 10.545 7.755 1.00 0.00 C ATOM 653 CD GLN A 46 2.087 11.193 6.585 1.00 0.00 C ATOM 654 OE1 GLN A 46 1.468 10.537 5.773 1.00 0.00 O ATOM 655 NE2 GLN A 46 2.122 12.493 6.469 1.00 0.00 N ATOM 0 H GLN A 46 3.255 10.101 5.320 1.00 0.00 H new ATOM 0 HA GLN A 46 5.947 9.646 6.375 1.00 0.00 H new ATOM 0 HB2 GLN A 46 4.863 10.404 8.498 1.00 0.00 H new ATOM 0 HB3 GLN A 46 4.667 11.544 7.181 1.00 0.00 H new ATOM 0 HG2 GLN A 46 2.492 9.517 7.878 1.00 0.00 H new ATOM 0 HG3 GLN A 46 2.592 11.074 8.677 1.00 0.00 H new ATOM 0 HE21 GLN A 46 2.640 13.052 7.147 1.00 0.00 H new ATOM 0 HE22 GLN A 46 1.631 12.950 5.700 1.00 0.00 H new ATOM 664 N ALA A 47 5.552 7.637 7.927 1.00 0.00 N ATOM 665 CA ALA A 47 5.455 6.276 8.541 1.00 0.00 C ATOM 666 C ALA A 47 4.307 6.099 9.546 1.00 0.00 C ATOM 667 O ALA A 47 3.617 7.037 9.903 1.00 0.00 O ATOM 668 CB ALA A 47 6.799 5.972 9.226 1.00 0.00 C ATOM 0 H ALA A 47 6.366 8.178 8.220 1.00 0.00 H new ATOM 0 HA ALA A 47 5.232 5.578 7.735 1.00 0.00 H new ATOM 0 HB1 ALA A 47 6.759 4.984 9.684 1.00 0.00 H new ATOM 0 HB2 ALA A 47 7.599 5.996 8.486 1.00 0.00 H new ATOM 0 HB3 ALA A 47 6.993 6.720 9.994 1.00 0.00 H new ATOM 674 N GLY A 48 4.179 4.852 9.939 1.00 0.00 N ATOM 675 CA GLY A 48 3.143 4.380 10.923 1.00 0.00 C ATOM 676 C GLY A 48 1.817 5.140 10.829 1.00 0.00 C ATOM 677 O GLY A 48 1.246 5.520 11.834 1.00 0.00 O ATOM 0 H GLY A 48 4.782 4.103 9.600 1.00 0.00 H new ATOM 0 HA2 GLY A 48 2.956 3.319 10.760 1.00 0.00 H new ATOM 0 HA3 GLY A 48 3.540 4.482 11.933 1.00 0.00 H new ATOM 681 N CYS A 49 1.391 5.320 9.606 1.00 0.00 N ATOM 682 CA CYS A 49 0.126 6.039 9.264 1.00 0.00 C ATOM 683 C CYS A 49 -0.188 7.198 10.219 1.00 0.00 C ATOM 684 O CYS A 49 -1.196 7.213 10.899 1.00 0.00 O ATOM 685 CB CYS A 49 -1.047 5.037 9.265 1.00 0.00 C ATOM 686 SG CYS A 49 -1.552 4.207 10.792 1.00 0.00 S ATOM 0 H CYS A 49 1.897 4.979 8.788 1.00 0.00 H new ATOM 0 HA CYS A 49 0.264 6.475 8.274 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -1.921 5.565 8.883 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -0.804 4.258 8.542 1.00 0.00 H new ATOM 691 N SER A 50 0.711 8.148 10.231 1.00 0.00 N ATOM 692 CA SER A 50 0.527 9.338 11.115 1.00 0.00 C ATOM 693 C SER A 50 -0.482 10.287 10.456 1.00 0.00 C ATOM 694 O SER A 50 -1.309 9.860 9.673 1.00 0.00 O ATOM 695 CB SER A 50 1.913 9.991 11.307 1.00 0.00 C ATOM 696 OG SER A 50 2.673 8.984 11.962 1.00 0.00 O ATOM 0 H SER A 50 1.562 8.152 9.669 1.00 0.00 H new ATOM 0 HA SER A 50 0.131 9.071 12.095 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.359 10.272 10.353 1.00 0.00 H new ATOM 0 HB3 SER A 50 1.848 10.898 11.908 1.00 0.00 H new ATOM 0 HG SER A 50 3.018 8.351 11.298 1.00 0.00 H new ATOM 702 N GLY A 51 -0.391 11.543 10.785 1.00 0.00 N ATOM 703 CA GLY A 51 -1.337 12.545 10.197 1.00 0.00 C ATOM 704 C GLY A 51 -0.978 12.947 8.765 1.00 0.00 C ATOM 705 O GLY A 51 0.130 12.737 8.315 1.00 0.00 O ATOM 0 H GLY A 51 0.296 11.925 11.435 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.346 12.133 10.209 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -1.349 13.436 10.825 1.00 0.00 H new ATOM 709 N VAL A 52 -1.969 13.517 8.119 1.00 0.00 N ATOM 710 CA VAL A 52 -1.884 14.002 6.705 1.00 0.00 C ATOM 711 C VAL A 52 -1.593 12.864 5.712 1.00 0.00 C ATOM 712 O VAL A 52 -0.497 12.346 5.653 1.00 0.00 O ATOM 713 CB VAL A 52 -0.778 15.104 6.627 1.00 0.00 C ATOM 714 CG1 VAL A 52 -0.614 15.621 5.176 1.00 0.00 C ATOM 715 CG2 VAL A 52 -1.175 16.290 7.530 1.00 0.00 C ATOM 0 H VAL A 52 -2.884 13.673 8.542 1.00 0.00 H new ATOM 0 HA VAL A 52 -2.851 14.415 6.418 1.00 0.00 H new ATOM 0 HB VAL A 52 0.165 14.668 6.958 1.00 0.00 H new ATOM 0 HG11 VAL A 52 0.161 16.387 5.148 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -0.331 14.794 4.525 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.557 16.047 4.833 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -0.406 17.060 7.478 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.125 16.703 7.192 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.275 15.946 8.559 1.00 0.00 H new ATOM 725 N ALA A 53 -2.602 12.512 4.955 1.00 0.00 N ATOM 726 CA ALA A 53 -2.467 11.418 3.938 1.00 0.00 C ATOM 727 C ALA A 53 -1.690 11.938 2.714 1.00 0.00 C ATOM 728 O ALA A 53 -1.209 13.055 2.720 1.00 0.00 O ATOM 729 CB ALA A 53 -3.877 10.961 3.530 1.00 0.00 C ATOM 0 H ALA A 53 -3.527 12.941 4.997 1.00 0.00 H new ATOM 0 HA ALA A 53 -1.917 10.575 4.356 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -3.801 10.164 2.790 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -4.408 10.592 4.407 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -4.423 11.802 3.103 1.00 0.00 H new ATOM 735 N HIS A 54 -1.587 11.114 1.701 1.00 0.00 N ATOM 736 CA HIS A 54 -0.852 11.509 0.456 1.00 0.00 C ATOM 737 C HIS A 54 -1.670 11.054 -0.759 1.00 0.00 C ATOM 738 O HIS A 54 -1.922 11.812 -1.674 1.00 0.00 O ATOM 739 CB HIS A 54 0.515 10.828 0.490 1.00 0.00 C ATOM 740 CG HIS A 54 1.442 11.415 -0.581 1.00 0.00 C ATOM 741 ND1 HIS A 54 2.452 12.184 -0.340 1.00 0.00 N ATOM 742 CD2 HIS A 54 1.438 11.286 -1.959 1.00 0.00 C ATOM 743 CE1 HIS A 54 3.032 12.509 -1.450 1.00 0.00 C ATOM 744 NE2 HIS A 54 2.433 11.973 -2.484 1.00 0.00 N ATOM 0 H HIS A 54 -1.984 10.175 1.682 1.00 0.00 H new ATOM 0 HA HIS A 54 -0.714 12.588 0.391 1.00 0.00 H new ATOM 0 HB2 HIS A 54 0.965 10.954 1.475 1.00 0.00 H new ATOM 0 HB3 HIS A 54 0.397 9.757 0.328 1.00 0.00 H new ATOM 0 HD2 HIS A 54 0.723 10.706 -2.523 1.00 0.00 H new ATOM 0 HE1 HIS A 54 3.903 13.144 -1.516 1.00 0.00 H new ATOM 0 HE2 HIS A 54 2.680 12.066 -3.469 1.00 0.00 H new ATOM 752 N THR A 55 -2.050 9.804 -0.703 1.00 0.00 N ATOM 753 CA THR A 55 -2.860 9.155 -1.779 1.00 0.00 C ATOM 754 C THR A 55 -3.915 8.299 -1.073 1.00 0.00 C ATOM 755 O THR A 55 -3.752 7.985 0.087 1.00 0.00 O ATOM 756 CB THR A 55 -1.923 8.285 -2.644 1.00 0.00 C ATOM 757 OG1 THR A 55 -1.018 9.211 -3.227 1.00 0.00 O ATOM 758 CG2 THR A 55 -2.648 7.649 -3.845 1.00 0.00 C ATOM 0 H THR A 55 -1.823 9.183 0.074 1.00 0.00 H new ATOM 0 HA THR A 55 -3.344 9.880 -2.433 1.00 0.00 H new ATOM 0 HB THR A 55 -1.491 7.498 -2.026 1.00 0.00 H new ATOM 0 HG1 THR A 55 -0.847 8.959 -4.158 1.00 0.00 H new ATOM 0 HG21 THR A 55 -1.943 7.048 -4.419 1.00 0.00 H new ATOM 0 HG22 THR A 55 -3.458 7.014 -3.486 1.00 0.00 H new ATOM 0 HG23 THR A 55 -3.057 8.434 -4.481 1.00 0.00 H new ATOM 766 N ARG A 56 -4.966 7.944 -1.770 1.00 0.00 N ATOM 767 CA ARG A 56 -6.042 7.105 -1.148 1.00 0.00 C ATOM 768 C ARG A 56 -6.652 6.181 -2.204 1.00 0.00 C ATOM 769 O ARG A 56 -7.061 6.634 -3.256 1.00 0.00 O ATOM 770 CB ARG A 56 -7.153 8.014 -0.567 1.00 0.00 C ATOM 771 CG ARG A 56 -6.586 8.923 0.547 1.00 0.00 C ATOM 772 CD ARG A 56 -7.716 9.769 1.141 1.00 0.00 C ATOM 773 NE ARG A 56 -7.130 10.628 2.216 1.00 0.00 N ATOM 774 CZ ARG A 56 -7.818 11.593 2.774 1.00 0.00 C ATOM 775 NH1 ARG A 56 -9.047 11.834 2.402 1.00 0.00 N ATOM 776 NH2 ARG A 56 -7.238 12.298 3.706 1.00 0.00 N ATOM 0 H ARG A 56 -5.127 8.198 -2.745 1.00 0.00 H new ATOM 0 HA ARG A 56 -5.604 6.509 -0.347 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -7.581 8.626 -1.361 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -7.960 7.400 -0.167 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -6.124 8.316 1.326 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -5.807 9.570 0.142 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -8.178 10.385 0.369 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -8.499 9.129 1.548 1.00 0.00 H new ATOM 0 HE ARG A 56 -6.172 10.458 2.522 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -9.479 11.268 1.671 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -9.575 12.588 2.842 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -6.278 12.090 3.979 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -7.745 13.057 4.161 1.00 0.00 H new ATOM 790 N PHE A 57 -6.690 4.912 -1.884 1.00 0.00 N ATOM 791 CA PHE A 57 -7.263 3.898 -2.823 1.00 0.00 C ATOM 792 C PHE A 57 -8.682 3.511 -2.381 1.00 0.00 C ATOM 793 O PHE A 57 -8.982 3.467 -1.203 1.00 0.00 O ATOM 794 CB PHE A 57 -6.395 2.630 -2.832 1.00 0.00 C ATOM 795 CG PHE A 57 -4.928 2.910 -3.210 1.00 0.00 C ATOM 796 CD1 PHE A 57 -4.593 3.670 -4.320 1.00 0.00 C ATOM 797 CD2 PHE A 57 -3.914 2.386 -2.430 1.00 0.00 C ATOM 798 CE1 PHE A 57 -3.270 3.898 -4.639 1.00 0.00 C ATOM 799 CE2 PHE A 57 -2.593 2.614 -2.749 1.00 0.00 C ATOM 800 CZ PHE A 57 -2.269 3.371 -3.853 1.00 0.00 C ATOM 0 H PHE A 57 -6.345 4.531 -1.003 1.00 0.00 H new ATOM 0 HA PHE A 57 -7.289 4.336 -3.821 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -6.429 2.166 -1.846 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -6.816 1.913 -3.537 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -5.373 4.087 -4.940 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -4.160 1.792 -1.562 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -3.019 4.491 -5.506 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -1.810 2.198 -2.132 1.00 0.00 H new ATOM 0 HZ PHE A 57 -1.234 3.551 -4.102 1.00 0.00 H new ATOM 810 N GLY A 58 -9.500 3.242 -3.365 1.00 0.00 N ATOM 811 CA GLY A 58 -10.923 2.845 -3.133 1.00 0.00 C ATOM 812 C GLY A 58 -11.403 1.964 -4.297 1.00 0.00 C ATOM 813 O GLY A 58 -12.589 1.775 -4.491 1.00 0.00 O ATOM 0 H GLY A 58 -9.233 3.282 -4.349 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -11.012 2.303 -2.191 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -11.551 3.732 -3.051 1.00 0.00 H new ATOM 817 N SER A 59 -10.445 1.454 -5.031 1.00 0.00 N ATOM 818 CA SER A 59 -10.713 0.572 -6.208 1.00 0.00 C ATOM 819 C SER A 59 -9.397 -0.117 -6.600 1.00 0.00 C ATOM 820 O SER A 59 -8.392 0.553 -6.740 1.00 0.00 O ATOM 821 CB SER A 59 -11.244 1.434 -7.382 1.00 0.00 C ATOM 822 OG SER A 59 -10.251 2.426 -7.600 1.00 0.00 O ATOM 0 H SER A 59 -9.454 1.619 -4.855 1.00 0.00 H new ATOM 0 HA SER A 59 -11.462 -0.182 -5.965 1.00 0.00 H new ATOM 0 HB2 SER A 59 -11.398 0.829 -8.276 1.00 0.00 H new ATOM 0 HB3 SER A 59 -12.204 1.887 -7.134 1.00 0.00 H new ATOM 0 HG SER A 59 -9.382 2.092 -7.295 1.00 0.00 H new ATOM 828 N SER A 60 -9.440 -1.421 -6.755 1.00 0.00 N ATOM 829 CA SER A 60 -8.236 -2.222 -7.139 1.00 0.00 C ATOM 830 C SER A 60 -7.321 -1.495 -8.146 1.00 0.00 C ATOM 831 O SER A 60 -7.647 -1.382 -9.312 1.00 0.00 O ATOM 832 CB SER A 60 -8.710 -3.562 -7.745 1.00 0.00 C ATOM 833 OG SER A 60 -9.540 -4.140 -6.746 1.00 0.00 O ATOM 0 H SER A 60 -10.286 -1.977 -6.627 1.00 0.00 H new ATOM 0 HA SER A 60 -7.644 -2.381 -6.238 1.00 0.00 H new ATOM 0 HB2 SER A 60 -9.260 -3.404 -8.673 1.00 0.00 H new ATOM 0 HB3 SER A 60 -7.866 -4.210 -7.981 1.00 0.00 H new ATOM 0 HG SER A 60 -9.883 -5.001 -7.064 1.00 0.00 H new ATOM 839 N ALA A 61 -6.204 -1.026 -7.643 1.00 0.00 N ATOM 840 CA ALA A 61 -5.207 -0.289 -8.490 1.00 0.00 C ATOM 841 C ALA A 61 -3.867 -1.039 -8.589 1.00 0.00 C ATOM 842 O ALA A 61 -3.070 -0.989 -7.673 1.00 0.00 O ATOM 843 CB ALA A 61 -4.996 1.106 -7.874 1.00 0.00 C ATOM 0 H ALA A 61 -5.935 -1.124 -6.664 1.00 0.00 H new ATOM 0 HA ALA A 61 -5.595 -0.208 -9.505 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -4.274 1.663 -8.472 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -5.944 1.643 -7.857 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -4.620 1.001 -6.856 1.00 0.00 H new ATOM 849 N ARG A 62 -3.663 -1.706 -9.699 1.00 0.00 N ATOM 850 CA ARG A 62 -2.410 -2.488 -9.948 1.00 0.00 C ATOM 851 C ARG A 62 -1.237 -1.638 -10.471 1.00 0.00 C ATOM 852 O ARG A 62 -0.928 -1.669 -11.648 1.00 0.00 O ATOM 853 CB ARG A 62 -2.751 -3.608 -10.958 1.00 0.00 C ATOM 854 CG ARG A 62 -3.605 -4.690 -10.283 1.00 0.00 C ATOM 855 CD ARG A 62 -3.930 -5.809 -11.283 1.00 0.00 C ATOM 856 NE ARG A 62 -4.655 -6.895 -10.548 1.00 0.00 N ATOM 857 CZ ARG A 62 -4.035 -7.704 -9.721 1.00 0.00 C ATOM 858 NH1 ARG A 62 -2.752 -7.589 -9.506 1.00 0.00 N ATOM 859 NH2 ARG A 62 -4.740 -8.621 -9.120 1.00 0.00 N ATOM 0 H ARG A 62 -4.334 -1.742 -10.466 1.00 0.00 H new ATOM 0 HA ARG A 62 -2.069 -2.891 -8.994 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -3.288 -3.189 -11.809 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -1.833 -4.049 -11.346 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -3.072 -5.102 -9.426 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -4.528 -4.251 -9.904 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -4.544 -5.425 -12.097 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -3.015 -6.197 -11.730 1.00 0.00 H new ATOM 0 HE ARG A 62 -5.658 -7.009 -10.694 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -2.218 -6.863 -9.984 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -2.284 -8.225 -8.860 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -5.742 -8.693 -9.299 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -4.290 -9.266 -8.471 1.00 0.00 H new ATOM 873 N ALA A 63 -0.612 -0.899 -9.585 1.00 0.00 N ATOM 874 CA ALA A 63 0.545 -0.047 -10.011 1.00 0.00 C ATOM 875 C ALA A 63 1.884 -0.808 -9.884 1.00 0.00 C ATOM 876 O ALA A 63 1.947 -1.842 -9.248 1.00 0.00 O ATOM 877 CB ALA A 63 0.576 1.234 -9.145 1.00 0.00 C ATOM 0 H ALA A 63 -0.850 -0.848 -8.594 1.00 0.00 H new ATOM 0 HA ALA A 63 0.415 0.217 -11.061 1.00 0.00 H new ATOM 0 HB1 ALA A 63 1.416 1.859 -9.450 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -0.354 1.786 -9.278 1.00 0.00 H new ATOM 0 HB3 ALA A 63 0.689 0.961 -8.096 1.00 0.00 H new ATOM 883 N CYS A 64 2.919 -0.278 -10.497 1.00 0.00 N ATOM 884 CA CYS A 64 4.270 -0.937 -10.438 1.00 0.00 C ATOM 885 C CYS A 64 5.371 0.132 -10.629 1.00 0.00 C ATOM 886 O CYS A 64 6.394 -0.105 -11.243 1.00 0.00 O ATOM 887 CB CYS A 64 4.340 -2.016 -11.555 1.00 0.00 C ATOM 888 SG CYS A 64 2.928 -3.150 -11.665 1.00 0.00 S ATOM 0 H CYS A 64 2.888 0.586 -11.038 1.00 0.00 H new ATOM 0 HA CYS A 64 4.425 -1.415 -9.471 1.00 0.00 H new ATOM 0 HB2 CYS A 64 4.448 -1.509 -12.514 1.00 0.00 H new ATOM 0 HB3 CYS A 64 5.243 -2.607 -11.404 1.00 0.00 H new ATOM 893 N ASN A 65 5.100 1.288 -10.073 1.00 0.00 N ATOM 894 CA ASN A 65 6.023 2.470 -10.133 1.00 0.00 C ATOM 895 C ASN A 65 7.295 2.245 -9.273 1.00 0.00 C ATOM 896 O ASN A 65 7.553 1.128 -8.874 1.00 0.00 O ATOM 897 CB ASN A 65 5.187 3.672 -9.644 1.00 0.00 C ATOM 898 CG ASN A 65 4.033 3.912 -10.625 1.00 0.00 C ATOM 899 OD1 ASN A 65 2.808 3.734 -10.216 1.00 0.00 O flip ATOM 900 ND2 ASN A 65 4.235 4.262 -11.772 1.00 0.00 N flip ATOM 0 H ASN A 65 4.239 1.469 -9.557 1.00 0.00 H new ATOM 0 HA ASN A 65 6.396 2.641 -11.143 1.00 0.00 H new ATOM 0 HB2 ASN A 65 4.797 3.477 -8.645 1.00 0.00 H new ATOM 0 HB3 ASN A 65 5.813 4.562 -9.574 1.00 0.00 H new ATOM 0 HD21 ASN A 65 5.190 4.404 -12.101 1.00 0.00 H new ATOM 0 HD22 ASN A 65 3.450 4.414 -12.405 1.00 0.00 H new ATOM 907 N PRO A 66 8.069 3.278 -9.016 1.00 0.00 N ATOM 908 CA PRO A 66 8.792 3.444 -7.716 1.00 0.00 C ATOM 909 C PRO A 66 7.820 3.832 -6.581 1.00 0.00 C ATOM 910 O PRO A 66 6.693 4.215 -6.834 1.00 0.00 O ATOM 911 CB PRO A 66 9.854 4.520 -7.977 1.00 0.00 C ATOM 912 CG PRO A 66 9.665 5.005 -9.431 1.00 0.00 C ATOM 913 CD PRO A 66 8.359 4.394 -9.965 1.00 0.00 C ATOM 0 HA PRO A 66 9.256 2.516 -7.381 1.00 0.00 H new ATOM 0 HB2 PRO A 66 9.742 5.348 -7.278 1.00 0.00 H new ATOM 0 HB3 PRO A 66 10.856 4.115 -7.834 1.00 0.00 H new ATOM 0 HG2 PRO A 66 9.620 6.093 -9.468 1.00 0.00 H new ATOM 0 HG3 PRO A 66 10.510 4.700 -10.048 1.00 0.00 H new ATOM 0 HD2 PRO A 66 7.552 5.126 -9.979 1.00 0.00 H new ATOM 0 HD3 PRO A 66 8.476 4.030 -10.986 1.00 0.00 H new ATOM 921 N PHE A 67 8.293 3.722 -5.363 1.00 0.00 N ATOM 922 CA PHE A 67 7.453 4.061 -4.164 1.00 0.00 C ATOM 923 C PHE A 67 7.428 5.579 -3.921 1.00 0.00 C ATOM 924 O PHE A 67 8.156 6.323 -4.548 1.00 0.00 O ATOM 925 CB PHE A 67 8.046 3.348 -2.923 1.00 0.00 C ATOM 926 CG PHE A 67 7.021 3.062 -1.805 1.00 0.00 C ATOM 927 CD1 PHE A 67 5.698 2.731 -2.063 1.00 0.00 C ATOM 928 CD2 PHE A 67 7.443 3.123 -0.490 1.00 0.00 C ATOM 929 CE1 PHE A 67 4.827 2.469 -1.028 1.00 0.00 C ATOM 930 CE2 PHE A 67 6.570 2.860 0.542 1.00 0.00 C ATOM 931 CZ PHE A 67 5.264 2.535 0.274 1.00 0.00 C ATOM 0 H PHE A 67 9.238 3.408 -5.143 1.00 0.00 H new ATOM 0 HA PHE A 67 6.431 3.728 -4.342 1.00 0.00 H new ATOM 0 HB2 PHE A 67 8.494 2.406 -3.239 1.00 0.00 H new ATOM 0 HB3 PHE A 67 8.849 3.962 -2.515 1.00 0.00 H new ATOM 0 HD1 PHE A 67 5.348 2.678 -3.083 1.00 0.00 H new ATOM 0 HD2 PHE A 67 8.469 3.380 -0.270 1.00 0.00 H new ATOM 0 HE1 PHE A 67 3.800 2.211 -1.240 1.00 0.00 H new ATOM 0 HE2 PHE A 67 6.914 2.910 1.565 1.00 0.00 H new ATOM 0 HZ PHE A 67 4.580 2.331 1.085 1.00 0.00 H new ATOM 941 N GLY A 68 6.576 5.978 -3.010 1.00 0.00 N ATOM 942 CA GLY A 68 6.437 7.425 -2.658 1.00 0.00 C ATOM 943 C GLY A 68 5.772 7.587 -1.284 1.00 0.00 C ATOM 944 O GLY A 68 5.277 8.652 -0.968 1.00 0.00 O ATOM 0 H GLY A 68 5.962 5.353 -2.488 1.00 0.00 H new ATOM 0 HA2 GLY A 68 7.419 7.899 -2.651 1.00 0.00 H new ATOM 0 HA3 GLY A 68 5.843 7.934 -3.417 1.00 0.00 H new ATOM 948 N TRP A 69 5.781 6.525 -0.513 1.00 0.00 N ATOM 949 CA TRP A 69 5.162 6.548 0.850 1.00 0.00 C ATOM 950 C TRP A 69 5.984 5.738 1.871 1.00 0.00 C ATOM 951 O TRP A 69 7.141 5.452 1.635 1.00 0.00 O ATOM 952 CB TRP A 69 3.738 5.968 0.723 1.00 0.00 C ATOM 953 CG TRP A 69 2.941 6.754 -0.326 1.00 0.00 C ATOM 954 CD1 TRP A 69 2.318 7.941 -0.100 1.00 0.00 C ATOM 955 CD2 TRP A 69 2.726 6.397 -1.625 1.00 0.00 C ATOM 956 NE1 TRP A 69 1.764 8.246 -1.245 1.00 0.00 N ATOM 957 CE2 TRP A 69 1.950 7.388 -2.224 1.00 0.00 C ATOM 958 CE3 TRP A 69 3.127 5.294 -2.373 1.00 0.00 C ATOM 959 CZ2 TRP A 69 1.580 7.280 -3.558 1.00 0.00 C ATOM 960 CZ3 TRP A 69 2.757 5.182 -3.711 1.00 0.00 C ATOM 961 CH2 TRP A 69 1.984 6.175 -4.304 1.00 0.00 C ATOM 0 H TRP A 69 6.197 5.631 -0.775 1.00 0.00 H new ATOM 0 HA TRP A 69 5.135 7.573 1.219 1.00 0.00 H new ATOM 0 HB2 TRP A 69 3.789 4.917 0.440 1.00 0.00 H new ATOM 0 HB3 TRP A 69 3.231 6.014 1.687 1.00 0.00 H new ATOM 0 HD1 TRP A 69 2.287 8.506 0.820 1.00 0.00 H new ATOM 0 HE1 TRP A 69 1.220 9.099 -1.371 1.00 0.00 H new ATOM 0 HE3 TRP A 69 3.727 4.522 -1.914 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 0.980 8.052 -4.017 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 3.070 4.324 -4.288 1.00 0.00 H new ATOM 0 HH2 TRP A 69 1.697 6.089 -5.342 1.00 0.00 H new ATOM 972 N LYS A 70 5.357 5.405 2.977 1.00 0.00 N ATOM 973 CA LYS A 70 6.026 4.610 4.059 1.00 0.00 C ATOM 974 C LYS A 70 5.040 3.648 4.723 1.00 0.00 C ATOM 975 O LYS A 70 5.447 2.600 5.185 1.00 0.00 O ATOM 976 CB LYS A 70 6.613 5.548 5.146 1.00 0.00 C ATOM 977 CG LYS A 70 8.129 5.757 4.897 1.00 0.00 C ATOM 978 CD LYS A 70 8.495 7.233 4.619 1.00 0.00 C ATOM 979 CE LYS A 70 8.244 8.101 5.866 1.00 0.00 C ATOM 980 NZ LYS A 70 9.111 7.660 6.996 1.00 0.00 N ATOM 0 H LYS A 70 4.389 5.657 3.179 1.00 0.00 H new ATOM 0 HA LYS A 70 6.829 4.040 3.592 1.00 0.00 H new ATOM 0 HB2 LYS A 70 6.097 6.508 5.128 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.453 5.118 6.135 1.00 0.00 H new ATOM 0 HG2 LYS A 70 8.686 5.407 5.766 1.00 0.00 H new ATOM 0 HG3 LYS A 70 8.441 5.145 4.051 1.00 0.00 H new ATOM 0 HD2 LYS A 70 9.542 7.304 4.325 1.00 0.00 H new ATOM 0 HD3 LYS A 70 7.904 7.608 3.784 1.00 0.00 H new ATOM 0 HE2 LYS A 70 8.444 9.147 5.634 1.00 0.00 H new ATOM 0 HE3 LYS A 70 7.196 8.034 6.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 8.845 8.176 7.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 8.987 6.639 7.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 10.106 7.857 6.767 1.00 0.00 H new ATOM 994 N SER A 71 3.786 4.024 4.758 1.00 0.00 N ATOM 995 CA SER A 71 2.749 3.144 5.386 1.00 0.00 C ATOM 996 C SER A 71 1.384 3.332 4.743 1.00 0.00 C ATOM 997 O SER A 71 1.132 4.315 4.075 1.00 0.00 O ATOM 998 CB SER A 71 2.644 3.450 6.889 1.00 0.00 C ATOM 999 OG SER A 71 2.521 4.861 6.971 1.00 0.00 O ATOM 0 H SER A 71 3.434 4.903 4.379 1.00 0.00 H new ATOM 0 HA SER A 71 3.060 2.111 5.232 1.00 0.00 H new ATOM 0 HB2 SER A 71 1.782 2.953 7.333 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.526 3.099 7.425 1.00 0.00 H new ATOM 0 HG SER A 71 3.393 5.276 6.801 1.00 0.00 H new ATOM 1005 N ILE A 72 0.555 2.353 4.997 1.00 0.00 N ATOM 1006 CA ILE A 72 -0.836 2.340 4.455 1.00 0.00 C ATOM 1007 C ILE A 72 -1.860 1.874 5.496 1.00 0.00 C ATOM 1008 O ILE A 72 -1.658 0.901 6.195 1.00 0.00 O ATOM 1009 CB ILE A 72 -0.848 1.414 3.205 1.00 0.00 C ATOM 1010 CG1 ILE A 72 -2.287 1.309 2.630 1.00 0.00 C ATOM 1011 CG2 ILE A 72 -0.344 -0.012 3.584 1.00 0.00 C ATOM 1012 CD1 ILE A 72 -2.226 0.855 1.175 1.00 0.00 C ATOM 0 H ILE A 72 0.790 1.543 5.571 1.00 0.00 H new ATOM 0 HA ILE A 72 -1.128 3.354 4.183 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.186 1.844 2.453 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -2.873 0.602 3.217 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -2.788 2.274 2.699 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.358 -0.650 2.700 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.674 0.052 3.969 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -0.995 -0.437 4.348 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.237 0.782 0.774 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.656 1.578 0.592 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.742 -0.120 1.118 1.00 0.00 H new ATOM 1024 N PHE A 73 -2.933 2.620 5.536 1.00 0.00 N ATOM 1025 CA PHE A 73 -4.067 2.363 6.466 1.00 0.00 C ATOM 1026 C PHE A 73 -5.169 1.552 5.758 1.00 0.00 C ATOM 1027 O PHE A 73 -5.880 2.077 4.923 1.00 0.00 O ATOM 1028 CB PHE A 73 -4.573 3.740 6.936 1.00 0.00 C ATOM 1029 CG PHE A 73 -5.864 3.631 7.764 1.00 0.00 C ATOM 1030 CD1 PHE A 73 -5.826 3.258 9.095 1.00 0.00 C ATOM 1031 CD2 PHE A 73 -7.085 3.911 7.178 1.00 0.00 C ATOM 1032 CE1 PHE A 73 -6.990 3.165 9.828 1.00 0.00 C ATOM 1033 CE2 PHE A 73 -8.249 3.820 7.911 1.00 0.00 C ATOM 1034 CZ PHE A 73 -8.204 3.446 9.237 1.00 0.00 C ATOM 0 H PHE A 73 -3.072 3.432 4.934 1.00 0.00 H new ATOM 0 HA PHE A 73 -3.756 1.768 7.325 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -3.800 4.225 7.532 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -4.752 4.375 6.069 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -4.878 3.038 9.564 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -7.127 4.203 6.139 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -6.951 2.872 10.867 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -9.198 4.042 7.446 1.00 0.00 H new ATOM 0 HZ PHE A 73 -9.116 3.373 9.811 1.00 0.00 H new ATOM 1044 N ILE A 74 -5.266 0.296 6.120 1.00 0.00 N ATOM 1045 CA ILE A 74 -6.291 -0.622 5.521 1.00 0.00 C ATOM 1046 C ILE A 74 -7.461 -0.765 6.508 1.00 0.00 C ATOM 1047 O ILE A 74 -7.254 -0.870 7.701 1.00 0.00 O ATOM 1048 CB ILE A 74 -5.658 -2.014 5.259 1.00 0.00 C ATOM 1049 CG1 ILE A 74 -4.393 -1.915 4.349 1.00 0.00 C ATOM 1050 CG2 ILE A 74 -6.709 -2.976 4.636 1.00 0.00 C ATOM 1051 CD1 ILE A 74 -4.725 -1.422 2.925 1.00 0.00 C ATOM 0 H ILE A 74 -4.667 -0.142 6.819 1.00 0.00 H new ATOM 0 HA ILE A 74 -6.648 -0.212 4.576 1.00 0.00 H new ATOM 0 HB ILE A 74 -5.335 -2.417 6.219 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -3.673 -1.236 4.806 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -3.915 -2.893 4.289 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -6.251 -3.949 4.457 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -7.549 -3.091 5.321 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -7.065 -2.564 3.692 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -3.810 -1.372 2.335 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -5.423 -2.114 2.454 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -5.177 -0.432 2.979 1.00 0.00 H new ATOM 1063 N GLN A 75 -8.653 -0.764 5.969 1.00 0.00 N ATOM 1064 CA GLN A 75 -9.893 -0.898 6.798 1.00 0.00 C ATOM 1065 C GLN A 75 -10.497 -2.302 6.650 1.00 0.00 C ATOM 1066 O GLN A 75 -10.174 -3.016 5.720 1.00 0.00 O ATOM 1067 CB GLN A 75 -10.896 0.162 6.334 1.00 0.00 C ATOM 1068 CG GLN A 75 -10.217 1.537 6.434 1.00 0.00 C ATOM 1069 CD GLN A 75 -11.234 2.634 6.119 1.00 0.00 C ATOM 1070 OE1 GLN A 75 -11.273 3.171 5.030 1.00 0.00 O ATOM 1071 NE2 GLN A 75 -12.074 2.993 7.049 1.00 0.00 N ATOM 0 H GLN A 75 -8.824 -0.674 4.968 1.00 0.00 H new ATOM 0 HA GLN A 75 -9.650 -0.752 7.850 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -11.210 -0.034 5.309 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -11.793 0.134 6.953 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -9.810 1.681 7.435 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -9.380 1.592 5.738 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -12.044 2.544 7.964 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -12.761 3.723 6.861 1.00 0.00 H new ATOM 1080 N CYS A 76 -11.357 -2.650 7.578 1.00 0.00 N ATOM 1081 CA CYS A 76 -12.020 -3.994 7.548 1.00 0.00 C ATOM 1082 C CYS A 76 -13.414 -3.921 8.195 1.00 0.00 C ATOM 1083 O CYS A 76 -13.525 -3.226 9.194 1.00 0.00 O ATOM 1084 CB CYS A 76 -11.155 -5.024 8.308 1.00 0.00 C ATOM 1085 SG CYS A 76 -11.134 -5.035 10.119 1.00 0.00 S ATOM 1086 OXT CYS A 76 -14.295 -4.567 7.653 1.00 0.00 O ATOM 0 H CYS A 76 -11.630 -2.056 8.361 1.00 0.00 H new ATOM 0 HA CYS A 76 -12.127 -4.303 6.508 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -11.471 -6.015 7.982 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -10.126 -4.892 7.973 1.00 0.00 H new