USER MOD reduce.3.24.130724 H: found=0, std=0, add=546, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 545 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 17 SER OG : rot 174:sc= 0.0367 USER MOD Set 1.2: A 47 TYR OH : rot 180:sc= -1.52 USER MOD Set 2.1: A 8 LYS NZ :NH3+ -131:sc= 0.17 (180deg=-0.298) USER MOD Set 2.2: A 12 MET CE :methyl -145:sc= -1.32 (180deg=-3.2!) USER MOD Single : A 7 ASN : amide:sc= -0.103 X(o=-0.1,f=0.3) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -0.297 K(o=-0.3,f=-1.4) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= -0.701 X(o=-0.7,f=-1.2) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 HIS : no HD1:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 25:sc= 0.295 USER MOD Single : A 35 ASN : amide:sc= -1.83 K(o=-1.8,f=-5.5!) USER MOD Single : A 41 GLN : amide:sc= -0.0934 K(o=-0.093,f=-1.5!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 161:sc=-0.00936 (180deg=-0.105) USER MOD Single : A 50 HIS : no HD1:sc= -0.182 X(o=-0.18,f=0) USER MOD Single : A 51 SER OG : rot 180:sc= -0.0805 USER MOD Single : A 52 ASN : amide:sc= -0.0543 X(o=-0.054,f=-0.29) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -0.698 K(o=-0.7,f=-5!) USER MOD Single : A 61 ASN : amide:sc= -0.0931 X(o=-0.093,f=0) USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HD1:sc= -0.115 X(o=-0.11,f=0) USER MOD ----------------------------------------------------------------- ATOM 37 N PRO A 3 -11.244 13.272 -4.931 1.00 0.00 N ATOM 38 CA PRO A 3 -10.524 13.867 -3.782 1.00 0.00 C ATOM 39 C PRO A 3 -9.055 14.111 -4.142 1.00 0.00 C ATOM 40 O PRO A 3 -8.542 13.566 -5.104 1.00 0.00 O ATOM 41 CB PRO A 3 -10.643 12.827 -2.668 1.00 0.00 C ATOM 42 CG PRO A 3 -10.905 11.479 -3.362 1.00 0.00 C ATOM 43 CD PRO A 3 -11.421 11.803 -4.774 1.00 0.00 C ATOM 0 HA PRO A 3 -10.937 14.832 -3.487 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -9.730 12.787 -2.074 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -11.456 13.078 -1.987 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -9.993 10.885 -3.410 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -11.638 10.894 -2.807 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -10.860 11.256 -5.532 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -12.468 11.519 -4.885 1.00 0.00 H new ATOM 51 N ALA A 4 -8.379 14.928 -3.378 1.00 0.00 N ATOM 52 CA ALA A 4 -6.944 15.223 -3.664 1.00 0.00 C ATOM 53 C ALA A 4 -6.104 13.946 -3.532 1.00 0.00 C ATOM 54 O ALA A 4 -5.024 13.854 -4.083 1.00 0.00 O ATOM 55 CB ALA A 4 -6.434 16.266 -2.668 1.00 0.00 C ATOM 0 H ALA A 4 -8.762 15.407 -2.563 1.00 0.00 H new ATOM 0 HA ALA A 4 -6.856 15.604 -4.681 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -5.386 16.484 -2.874 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -7.021 17.180 -2.766 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -6.532 15.879 -1.654 1.00 0.00 H new ATOM 61 N PHE A 5 -6.581 12.965 -2.799 1.00 0.00 N ATOM 62 CA PHE A 5 -5.793 11.707 -2.632 1.00 0.00 C ATOM 63 C PHE A 5 -5.835 10.877 -3.923 1.00 0.00 C ATOM 64 O PHE A 5 -4.804 10.480 -4.433 1.00 0.00 O ATOM 65 CB PHE A 5 -6.360 10.882 -1.476 1.00 0.00 C ATOM 66 CG PHE A 5 -5.440 9.713 -1.216 1.00 0.00 C ATOM 67 CD1 PHE A 5 -4.303 9.885 -0.420 1.00 0.00 C ATOM 68 CD2 PHE A 5 -5.717 8.465 -1.784 1.00 0.00 C ATOM 69 CE1 PHE A 5 -3.443 8.806 -0.188 1.00 0.00 C ATOM 70 CE2 PHE A 5 -4.857 7.385 -1.556 1.00 0.00 C ATOM 71 CZ PHE A 5 -3.720 7.556 -0.757 1.00 0.00 C ATOM 0 H PHE A 5 -7.478 12.984 -2.313 1.00 0.00 H new ATOM 0 HA PHE A 5 -4.759 11.973 -2.412 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -6.450 11.498 -0.581 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -7.361 10.527 -1.721 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -4.089 10.850 0.015 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -6.595 8.335 -2.399 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -2.566 8.937 0.429 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -5.070 6.422 -1.995 1.00 0.00 H new ATOM 0 HZ PHE A 5 -3.056 6.723 -0.579 1.00 0.00 H new ATOM 81 N VAL A 6 -7.007 10.602 -4.454 1.00 0.00 N ATOM 82 CA VAL A 6 -7.079 9.787 -5.708 1.00 0.00 C ATOM 83 C VAL A 6 -6.357 10.535 -6.831 1.00 0.00 C ATOM 84 O VAL A 6 -5.750 9.931 -7.698 1.00 0.00 O ATOM 85 CB VAL A 6 -8.533 9.526 -6.107 1.00 0.00 C ATOM 86 CG1 VAL A 6 -8.559 8.528 -7.268 1.00 0.00 C ATOM 87 CG2 VAL A 6 -9.303 8.937 -4.917 1.00 0.00 C ATOM 0 H VAL A 6 -7.905 10.904 -4.077 1.00 0.00 H new ATOM 0 HA VAL A 6 -6.599 8.824 -5.533 1.00 0.00 H new ATOM 0 HB VAL A 6 -9.001 10.463 -6.408 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -9.592 8.336 -7.559 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -8.014 8.942 -8.116 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -8.090 7.595 -6.956 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -10.337 8.754 -5.208 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -8.840 7.998 -4.612 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -9.279 9.640 -4.084 1.00 0.00 H new ATOM 97 N ASN A 7 -6.387 11.848 -6.805 1.00 0.00 N ATOM 98 CA ASN A 7 -5.666 12.636 -7.850 1.00 0.00 C ATOM 99 C ASN A 7 -4.169 12.387 -7.660 1.00 0.00 C ATOM 100 O ASN A 7 -3.414 12.272 -8.607 1.00 0.00 O ATOM 101 CB ASN A 7 -5.965 14.127 -7.678 1.00 0.00 C ATOM 102 CG ASN A 7 -7.349 14.442 -8.249 1.00 0.00 C ATOM 103 OD1 ASN A 7 -8.253 14.799 -7.520 1.00 0.00 O ATOM 104 ND2 ASN A 7 -7.553 14.326 -9.533 1.00 0.00 N ATOM 0 H ASN A 7 -6.879 12.404 -6.106 1.00 0.00 H new ATOM 0 HA ASN A 7 -5.987 12.333 -8.847 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -5.926 14.397 -6.623 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -5.206 14.721 -8.187 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -8.471 14.535 -9.924 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -6.794 14.026 -10.145 1.00 0.00 H new ATOM 111 N LYS A 8 -3.755 12.270 -6.426 1.00 0.00 N ATOM 112 CA LYS A 8 -2.326 11.991 -6.119 1.00 0.00 C ATOM 113 C LYS A 8 -2.000 10.562 -6.600 1.00 0.00 C ATOM 114 O LYS A 8 -0.864 10.246 -6.902 1.00 0.00 O ATOM 115 CB LYS A 8 -2.135 12.137 -4.589 1.00 0.00 C ATOM 116 CG LYS A 8 -0.882 11.398 -4.089 1.00 0.00 C ATOM 117 CD LYS A 8 -1.301 10.100 -3.383 1.00 0.00 C ATOM 118 CE LYS A 8 -0.104 9.149 -3.275 1.00 0.00 C ATOM 119 NZ LYS A 8 -0.495 7.803 -3.780 1.00 0.00 N ATOM 0 H LYS A 8 -4.357 12.358 -5.608 1.00 0.00 H new ATOM 0 HA LYS A 8 -1.653 12.684 -6.624 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -2.058 13.194 -4.333 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -3.014 11.747 -4.076 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -0.221 11.172 -4.926 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -0.322 12.033 -3.403 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -1.687 10.326 -2.389 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -2.108 9.620 -3.937 1.00 0.00 H new ATOM 0 HE2 LYS A 8 0.736 9.536 -3.852 1.00 0.00 H new ATOM 0 HE3 LYS A 8 0.227 9.079 -2.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -0.209 7.078 -3.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -1.526 7.768 -3.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -0.023 7.623 -4.689 1.00 0.00 H new ATOM 133 N LEU A 9 -2.992 9.705 -6.671 1.00 0.00 N ATOM 134 CA LEU A 9 -2.756 8.308 -7.126 1.00 0.00 C ATOM 135 C LEU A 9 -2.386 8.299 -8.610 1.00 0.00 C ATOM 136 O LEU A 9 -1.594 7.487 -9.054 1.00 0.00 O ATOM 137 CB LEU A 9 -4.032 7.488 -6.921 1.00 0.00 C ATOM 138 CG LEU A 9 -3.686 6.000 -6.905 1.00 0.00 C ATOM 139 CD1 LEU A 9 -2.808 5.687 -5.690 1.00 0.00 C ATOM 140 CD2 LEU A 9 -4.974 5.179 -6.826 1.00 0.00 C ATOM 0 H LEU A 9 -3.959 9.921 -6.430 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.939 7.876 -6.548 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -4.512 7.771 -5.984 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.744 7.698 -7.719 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.145 5.746 -7.817 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.563 4.625 -5.682 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.889 6.271 -5.745 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -3.346 5.942 -4.777 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.728 4.117 -6.815 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.514 5.436 -5.915 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.599 5.398 -7.692 1.00 0.00 H new ATOM 152 N TRP A 10 -2.957 9.195 -9.381 1.00 0.00 N ATOM 153 CA TRP A 10 -2.645 9.240 -10.843 1.00 0.00 C ATOM 154 C TRP A 10 -1.436 10.159 -11.071 1.00 0.00 C ATOM 155 O TRP A 10 -1.523 11.181 -11.727 1.00 0.00 O ATOM 156 CB TRP A 10 -3.851 9.775 -11.635 1.00 0.00 C ATOM 157 CG TRP A 10 -5.127 9.139 -11.165 1.00 0.00 C ATOM 158 CD1 TRP A 10 -6.233 9.821 -10.791 1.00 0.00 C ATOM 159 CD2 TRP A 10 -5.452 7.724 -11.021 1.00 0.00 C ATOM 160 NE1 TRP A 10 -7.215 8.918 -10.426 1.00 0.00 N ATOM 161 CE2 TRP A 10 -6.782 7.612 -10.549 1.00 0.00 C ATOM 162 CE3 TRP A 10 -4.732 6.539 -11.251 1.00 0.00 C ATOM 163 CZ2 TRP A 10 -7.374 6.371 -10.312 1.00 0.00 C ATOM 164 CZ3 TRP A 10 -5.323 5.287 -11.015 1.00 0.00 C ATOM 165 CH2 TRP A 10 -6.642 5.203 -10.545 1.00 0.00 C ATOM 0 H TRP A 10 -3.625 9.896 -9.060 1.00 0.00 H new ATOM 0 HA TRP A 10 -2.419 8.231 -11.189 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -3.916 10.857 -11.520 1.00 0.00 H new ATOM 0 HB3 TRP A 10 -3.711 9.576 -12.697 1.00 0.00 H new ATOM 0 HD1 TRP A 10 -6.333 10.896 -10.779 1.00 0.00 H new ATOM 0 HE1 TRP A 10 -8.146 9.184 -10.105 1.00 0.00 H new ATOM 0 HE3 TRP A 10 -3.716 6.592 -11.612 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 -8.390 6.313 -9.951 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 -4.759 4.384 -11.196 1.00 0.00 H new ATOM 0 HH2 TRP A 10 -7.091 4.238 -10.363 1.00 0.00 H new ATOM 176 N SER A 11 -0.311 9.790 -10.529 1.00 0.00 N ATOM 177 CA SER A 11 0.929 10.601 -10.684 1.00 0.00 C ATOM 178 C SER A 11 2.056 9.825 -10.015 1.00 0.00 C ATOM 179 O SER A 11 3.152 9.715 -10.532 1.00 0.00 O ATOM 180 CB SER A 11 0.750 11.959 -10.002 1.00 0.00 C ATOM 181 OG SER A 11 1.448 12.951 -10.743 1.00 0.00 O ATOM 0 H SER A 11 -0.196 8.943 -9.973 1.00 0.00 H new ATOM 0 HA SER A 11 1.152 10.778 -11.736 1.00 0.00 H new ATOM 0 HB2 SER A 11 -0.309 12.212 -9.941 1.00 0.00 H new ATOM 0 HB3 SER A 11 1.128 11.919 -8.980 1.00 0.00 H new ATOM 0 HG SER A 11 1.334 13.823 -10.310 1.00 0.00 H new ATOM 187 N MET A 12 1.768 9.261 -8.873 1.00 0.00 N ATOM 188 CA MET A 12 2.777 8.453 -8.150 1.00 0.00 C ATOM 189 C MET A 12 2.718 7.021 -8.683 1.00 0.00 C ATOM 190 O MET A 12 3.722 6.340 -8.778 1.00 0.00 O ATOM 191 CB MET A 12 2.447 8.460 -6.657 1.00 0.00 C ATOM 192 CG MET A 12 3.744 8.487 -5.842 1.00 0.00 C ATOM 193 SD MET A 12 4.024 6.875 -5.067 1.00 0.00 S ATOM 194 CE MET A 12 2.510 6.837 -4.076 1.00 0.00 C ATOM 0 H MET A 12 0.862 9.330 -8.409 1.00 0.00 H new ATOM 0 HA MET A 12 3.775 8.865 -8.299 1.00 0.00 H new ATOM 0 HB2 MET A 12 1.835 9.329 -6.414 1.00 0.00 H new ATOM 0 HB3 MET A 12 1.863 7.577 -6.400 1.00 0.00 H new ATOM 0 HG2 MET A 12 4.584 8.739 -6.489 1.00 0.00 H new ATOM 0 HG3 MET A 12 3.686 9.262 -5.078 1.00 0.00 H new ATOM 0 HE1 MET A 12 2.709 6.339 -3.127 1.00 0.00 H new ATOM 0 HE2 MET A 12 2.173 7.856 -3.888 1.00 0.00 H new ATOM 0 HE3 MET A 12 1.735 6.292 -4.616 1.00 0.00 H new ATOM 204 N VAL A 13 1.543 6.568 -9.039 1.00 0.00 N ATOM 205 CA VAL A 13 1.403 5.184 -9.579 1.00 0.00 C ATOM 206 C VAL A 13 1.800 5.166 -11.061 1.00 0.00 C ATOM 207 O VAL A 13 2.086 4.122 -11.615 1.00 0.00 O ATOM 208 CB VAL A 13 -0.049 4.716 -9.448 1.00 0.00 C ATOM 209 CG1 VAL A 13 -0.135 3.216 -9.753 1.00 0.00 C ATOM 210 CG2 VAL A 13 -0.551 4.973 -8.026 1.00 0.00 C ATOM 0 H VAL A 13 0.674 7.098 -8.979 1.00 0.00 H new ATOM 0 HA VAL A 13 2.054 4.518 -9.013 1.00 0.00 H new ATOM 0 HB VAL A 13 -0.667 5.269 -10.155 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.169 2.884 -9.659 1.00 0.00 H new ATOM 0 HG12 VAL A 13 0.215 3.031 -10.768 1.00 0.00 H new ATOM 0 HG13 VAL A 13 0.488 2.665 -9.048 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -1.585 4.638 -7.939 1.00 0.00 H new ATOM 0 HG22 VAL A 13 0.069 4.425 -7.317 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -0.496 6.040 -7.808 1.00 0.00 H new ATOM 220 N ASN A 14 1.810 6.311 -11.710 1.00 0.00 N ATOM 221 CA ASN A 14 2.178 6.350 -13.156 1.00 0.00 C ATOM 222 C ASN A 14 3.611 5.821 -13.343 1.00 0.00 C ATOM 223 O ASN A 14 3.800 4.636 -13.539 1.00 0.00 O ATOM 224 CB ASN A 14 2.032 7.786 -13.684 1.00 0.00 C ATOM 225 CG ASN A 14 2.105 7.777 -15.211 1.00 0.00 C ATOM 226 OD1 ASN A 14 3.171 7.887 -15.783 1.00 0.00 O ATOM 227 ND2 ASN A 14 1.003 7.651 -15.900 1.00 0.00 N ATOM 0 H ASN A 14 1.579 7.215 -11.297 1.00 0.00 H new ATOM 0 HA ASN A 14 1.508 5.709 -13.728 1.00 0.00 H new ATOM 0 HB2 ASN A 14 1.083 8.210 -13.357 1.00 0.00 H new ATOM 0 HB3 ASN A 14 2.821 8.417 -13.275 1.00 0.00 H new ATOM 0 HD21 ASN A 14 1.037 7.645 -16.919 1.00 0.00 H new ATOM 0 HD22 ASN A 14 0.108 7.559 -15.419 1.00 0.00 H new ATOM 234 N ASP A 15 4.625 6.665 -13.278 1.00 0.00 N ATOM 235 CA ASP A 15 6.034 6.168 -13.450 1.00 0.00 C ATOM 236 C ASP A 15 7.016 7.344 -13.531 1.00 0.00 C ATOM 237 O ASP A 15 8.160 7.216 -13.155 1.00 0.00 O ATOM 238 CB ASP A 15 6.167 5.333 -14.737 1.00 0.00 C ATOM 239 CG ASP A 15 5.451 6.036 -15.895 1.00 0.00 C ATOM 240 OD1 ASP A 15 5.857 7.134 -16.237 1.00 0.00 O ATOM 241 OD2 ASP A 15 4.511 5.462 -16.420 1.00 0.00 O ATOM 0 H ASP A 15 4.537 7.668 -13.115 1.00 0.00 H new ATOM 0 HA ASP A 15 6.269 5.548 -12.585 1.00 0.00 H new ATOM 0 HB2 ASP A 15 7.220 5.192 -14.982 1.00 0.00 H new ATOM 0 HB3 ASP A 15 5.740 4.342 -14.583 1.00 0.00 H new ATOM 246 N LYS A 16 6.590 8.476 -14.040 1.00 0.00 N ATOM 247 CA LYS A 16 7.510 9.662 -14.176 1.00 0.00 C ATOM 248 C LYS A 16 8.324 9.903 -12.891 1.00 0.00 C ATOM 249 O LYS A 16 9.537 9.810 -12.896 1.00 0.00 O ATOM 250 CB LYS A 16 6.677 10.909 -14.488 1.00 0.00 C ATOM 251 CG LYS A 16 7.604 12.062 -14.879 1.00 0.00 C ATOM 252 CD LYS A 16 6.962 12.883 -16.003 1.00 0.00 C ATOM 253 CE LYS A 16 8.048 13.596 -16.817 1.00 0.00 C ATOM 254 NZ LYS A 16 7.895 13.251 -18.259 1.00 0.00 N ATOM 0 H LYS A 16 5.638 8.635 -14.371 1.00 0.00 H new ATOM 0 HA LYS A 16 8.212 9.456 -14.984 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.980 10.699 -15.299 1.00 0.00 H new ATOM 0 HB3 LYS A 16 6.081 11.187 -13.619 1.00 0.00 H new ATOM 0 HG2 LYS A 16 7.794 12.698 -14.014 1.00 0.00 H new ATOM 0 HG3 LYS A 16 8.568 11.672 -15.206 1.00 0.00 H new ATOM 0 HD2 LYS A 16 6.378 12.231 -16.653 1.00 0.00 H new ATOM 0 HD3 LYS A 16 6.272 13.614 -15.582 1.00 0.00 H new ATOM 0 HE2 LYS A 16 7.971 14.675 -16.680 1.00 0.00 H new ATOM 0 HE3 LYS A 16 9.036 13.300 -16.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 8.632 13.734 -18.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 7.989 12.223 -18.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 6.957 13.555 -18.591 1.00 0.00 H new ATOM 268 N SER A 17 7.670 10.216 -11.800 1.00 0.00 N ATOM 269 CA SER A 17 8.409 10.470 -10.521 1.00 0.00 C ATOM 270 C SER A 17 9.226 9.229 -10.133 1.00 0.00 C ATOM 271 O SER A 17 10.433 9.289 -9.995 1.00 0.00 O ATOM 272 CB SER A 17 7.405 10.800 -9.412 1.00 0.00 C ATOM 273 OG SER A 17 7.714 12.075 -8.866 1.00 0.00 O ATOM 0 H SER A 17 6.656 10.307 -11.738 1.00 0.00 H new ATOM 0 HA SER A 17 9.089 11.311 -10.657 1.00 0.00 H new ATOM 0 HB2 SER A 17 6.391 10.798 -9.811 1.00 0.00 H new ATOM 0 HB3 SER A 17 7.442 10.039 -8.633 1.00 0.00 H new ATOM 0 HG SER A 17 7.023 12.331 -8.220 1.00 0.00 H new ATOM 279 N ASN A 18 8.575 8.106 -9.966 1.00 0.00 N ATOM 280 CA ASN A 18 9.307 6.849 -9.596 1.00 0.00 C ATOM 281 C ASN A 18 9.393 5.945 -10.829 1.00 0.00 C ATOM 282 O ASN A 18 8.761 4.909 -10.893 1.00 0.00 O ATOM 283 CB ASN A 18 8.589 6.100 -8.446 1.00 0.00 C ATOM 284 CG ASN A 18 7.068 6.262 -8.548 1.00 0.00 C ATOM 285 OD1 ASN A 18 6.393 5.445 -9.144 1.00 0.00 O ATOM 286 ND2 ASN A 18 6.502 7.294 -7.984 1.00 0.00 N ATOM 0 H ASN A 18 7.566 8.002 -10.069 1.00 0.00 H new ATOM 0 HA ASN A 18 10.307 7.113 -9.251 1.00 0.00 H new ATOM 0 HB2 ASN A 18 8.848 5.042 -8.479 1.00 0.00 H new ATOM 0 HB3 ASN A 18 8.935 6.483 -7.486 1.00 0.00 H new ATOM 0 HD21 ASN A 18 5.491 7.417 -8.043 1.00 0.00 H new ATOM 0 HD22 ASN A 18 7.071 7.978 -7.485 1.00 0.00 H new ATOM 293 N GLU A 19 10.168 6.345 -11.811 1.00 0.00 N ATOM 294 CA GLU A 19 10.307 5.535 -13.061 1.00 0.00 C ATOM 295 C GLU A 19 11.207 4.323 -12.793 1.00 0.00 C ATOM 296 O GLU A 19 12.375 4.331 -13.114 1.00 0.00 O ATOM 297 CB GLU A 19 10.928 6.414 -14.160 1.00 0.00 C ATOM 298 CG GLU A 19 9.880 6.739 -15.228 1.00 0.00 C ATOM 299 CD GLU A 19 10.567 6.888 -16.587 1.00 0.00 C ATOM 300 OE1 GLU A 19 11.400 6.055 -16.902 1.00 0.00 O ATOM 301 OE2 GLU A 19 10.250 7.835 -17.288 1.00 0.00 O ATOM 0 H GLU A 19 10.714 7.206 -11.798 1.00 0.00 H new ATOM 0 HA GLU A 19 9.327 5.183 -13.384 1.00 0.00 H new ATOM 0 HB2 GLU A 19 11.313 7.336 -13.725 1.00 0.00 H new ATOM 0 HB3 GLU A 19 11.774 5.898 -14.614 1.00 0.00 H new ATOM 0 HG2 GLU A 19 9.132 5.948 -15.271 1.00 0.00 H new ATOM 0 HG3 GLU A 19 9.356 7.659 -14.970 1.00 0.00 H new ATOM 308 N LYS A 20 10.645 3.289 -12.213 1.00 0.00 N ATOM 309 CA LYS A 20 11.399 2.032 -11.888 1.00 0.00 C ATOM 310 C LYS A 20 10.556 1.233 -10.885 1.00 0.00 C ATOM 311 O LYS A 20 10.589 0.017 -10.865 1.00 0.00 O ATOM 312 CB LYS A 20 12.772 2.338 -11.248 1.00 0.00 C ATOM 313 CG LYS A 20 13.523 1.032 -10.953 1.00 0.00 C ATOM 314 CD LYS A 20 14.404 0.665 -12.150 1.00 0.00 C ATOM 315 CE LYS A 20 15.003 -0.728 -11.935 1.00 0.00 C ATOM 316 NZ LYS A 20 15.207 -1.391 -13.254 1.00 0.00 N ATOM 0 H LYS A 20 9.662 3.263 -11.942 1.00 0.00 H new ATOM 0 HA LYS A 20 11.575 1.476 -12.809 1.00 0.00 H new ATOM 0 HB2 LYS A 20 13.363 2.962 -11.918 1.00 0.00 H new ATOM 0 HB3 LYS A 20 12.634 2.903 -10.326 1.00 0.00 H new ATOM 0 HG2 LYS A 20 14.136 1.147 -10.059 1.00 0.00 H new ATOM 0 HG3 LYS A 20 12.813 0.230 -10.752 1.00 0.00 H new ATOM 0 HD2 LYS A 20 13.815 0.682 -13.067 1.00 0.00 H new ATOM 0 HD3 LYS A 20 15.200 1.400 -12.269 1.00 0.00 H new ATOM 0 HE2 LYS A 20 15.952 -0.649 -11.405 1.00 0.00 H new ATOM 0 HE3 LYS A 20 14.339 -1.329 -11.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 15.614 -2.337 -13.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 14.294 -1.479 -13.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 15.856 -0.821 -13.833 1.00 0.00 H new ATOM 330 N PHE A 21 9.806 1.916 -10.049 1.00 0.00 N ATOM 331 CA PHE A 21 8.964 1.205 -9.039 1.00 0.00 C ATOM 332 C PHE A 21 7.486 1.348 -9.407 1.00 0.00 C ATOM 333 O PHE A 21 7.107 2.271 -10.092 1.00 0.00 O ATOM 334 CB PHE A 21 9.197 1.817 -7.653 1.00 0.00 C ATOM 335 CG PHE A 21 10.679 1.887 -7.363 1.00 0.00 C ATOM 336 CD1 PHE A 21 11.379 0.725 -7.023 1.00 0.00 C ATOM 337 CD2 PHE A 21 11.351 3.114 -7.434 1.00 0.00 C ATOM 338 CE1 PHE A 21 12.751 0.786 -6.754 1.00 0.00 C ATOM 339 CE2 PHE A 21 12.724 3.175 -7.165 1.00 0.00 C ATOM 340 CZ PHE A 21 13.424 2.012 -6.824 1.00 0.00 C ATOM 0 H PHE A 21 9.743 2.934 -10.025 1.00 0.00 H new ATOM 0 HA PHE A 21 9.237 0.150 -9.026 1.00 0.00 H new ATOM 0 HB2 PHE A 21 8.762 2.815 -7.609 1.00 0.00 H new ATOM 0 HB3 PHE A 21 8.697 1.217 -6.893 1.00 0.00 H new ATOM 0 HD1 PHE A 21 10.860 -0.221 -6.968 1.00 0.00 H new ATOM 0 HD2 PHE A 21 10.811 4.012 -7.696 1.00 0.00 H new ATOM 0 HE1 PHE A 21 13.291 -0.112 -6.492 1.00 0.00 H new ATOM 0 HE2 PHE A 21 13.243 4.120 -7.221 1.00 0.00 H new ATOM 0 HZ PHE A 21 14.482 2.060 -6.615 1.00 0.00 H new ATOM 350 N ILE A 22 6.670 0.429 -8.936 1.00 0.00 N ATOM 351 CA ILE A 22 5.189 0.439 -9.207 1.00 0.00 C ATOM 352 C ILE A 22 4.880 0.514 -10.714 1.00 0.00 C ATOM 353 O ILE A 22 5.640 1.039 -11.503 1.00 0.00 O ATOM 354 CB ILE A 22 4.495 1.585 -8.428 1.00 0.00 C ATOM 355 CG1 ILE A 22 2.986 1.331 -8.410 1.00 0.00 C ATOM 356 CG2 ILE A 22 4.760 2.964 -9.053 1.00 0.00 C ATOM 357 CD1 ILE A 22 2.328 2.237 -7.368 1.00 0.00 C ATOM 0 H ILE A 22 6.979 -0.352 -8.357 1.00 0.00 H new ATOM 0 HA ILE A 22 4.783 -0.507 -8.849 1.00 0.00 H new ATOM 0 HB ILE A 22 4.906 1.594 -7.419 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.562 1.525 -9.395 1.00 0.00 H new ATOM 0 HG13 ILE A 22 2.785 0.285 -8.177 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.252 3.732 -8.470 1.00 0.00 H new ATOM 0 HG22 ILE A 22 5.832 3.162 -9.057 1.00 0.00 H new ATOM 0 HG23 ILE A 22 4.385 2.978 -10.076 1.00 0.00 H new ATOM 0 HD11 ILE A 22 1.253 2.056 -7.355 1.00 0.00 H new ATOM 0 HD12 ILE A 22 2.744 2.021 -6.384 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.517 3.280 -7.621 1.00 0.00 H new ATOM 369 N HIS A 23 3.754 -0.024 -11.112 1.00 0.00 N ATOM 370 CA HIS A 23 3.366 -0.006 -12.555 1.00 0.00 C ATOM 371 C HIS A 23 2.025 -0.725 -12.722 1.00 0.00 C ATOM 372 O HIS A 23 1.731 -1.673 -12.018 1.00 0.00 O ATOM 373 CB HIS A 23 4.436 -0.723 -13.391 1.00 0.00 C ATOM 374 CG HIS A 23 4.630 -0.002 -14.696 1.00 0.00 C ATOM 375 ND1 HIS A 23 5.199 1.260 -14.766 1.00 0.00 N ATOM 376 CD2 HIS A 23 4.334 -0.354 -15.989 1.00 0.00 C ATOM 377 CE1 HIS A 23 5.229 1.619 -16.062 1.00 0.00 C ATOM 378 NE2 HIS A 23 4.714 0.672 -16.850 1.00 0.00 N ATOM 0 H HIS A 23 3.082 -0.478 -10.493 1.00 0.00 H new ATOM 0 HA HIS A 23 3.279 1.026 -12.895 1.00 0.00 H new ATOM 0 HB2 HIS A 23 5.377 -0.759 -12.841 1.00 0.00 H new ATOM 0 HB3 HIS A 23 4.136 -1.754 -13.576 1.00 0.00 H new ATOM 0 HD2 HIS A 23 3.876 -1.284 -16.292 1.00 0.00 H new ATOM 0 HE1 HIS A 23 5.622 2.559 -16.421 1.00 0.00 H new ATOM 0 HE2 HIS A 23 4.619 0.695 -17.865 1.00 0.00 H new ATOM 386 N TRP A 24 1.212 -0.279 -13.645 1.00 0.00 N ATOM 387 CA TRP A 24 -0.114 -0.937 -13.859 1.00 0.00 C ATOM 388 C TRP A 24 0.102 -2.327 -14.460 1.00 0.00 C ATOM 389 O TRP A 24 0.971 -2.523 -15.288 1.00 0.00 O ATOM 390 CB TRP A 24 -0.977 -0.102 -14.821 1.00 0.00 C ATOM 391 CG TRP A 24 -0.900 1.363 -14.494 1.00 0.00 C ATOM 392 CD1 TRP A 24 -0.683 1.890 -13.262 1.00 0.00 C ATOM 393 CD2 TRP A 24 -1.046 2.495 -15.399 1.00 0.00 C ATOM 394 NE1 TRP A 24 -0.682 3.270 -13.360 1.00 0.00 N ATOM 395 CE2 TRP A 24 -0.904 3.690 -14.657 1.00 0.00 C ATOM 396 CE3 TRP A 24 -1.286 2.596 -16.781 1.00 0.00 C ATOM 397 CZ2 TRP A 24 -0.997 4.942 -15.263 1.00 0.00 C ATOM 398 CZ3 TRP A 24 -1.381 3.854 -17.395 1.00 0.00 C ATOM 399 CH2 TRP A 24 -1.235 5.025 -16.639 1.00 0.00 C ATOM 0 H TRP A 24 1.408 0.511 -14.259 1.00 0.00 H new ATOM 0 HA TRP A 24 -0.626 -1.018 -12.900 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -0.644 -0.266 -15.846 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -2.013 -0.435 -14.765 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -0.535 1.324 -12.354 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -0.535 3.900 -12.571 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -1.398 1.700 -17.373 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -0.886 5.841 -14.675 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -1.568 3.920 -18.457 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -1.306 5.990 -17.118 1.00 0.00 H new ATOM 410 N SER A 25 -0.684 -3.290 -14.049 1.00 0.00 N ATOM 411 CA SER A 25 -0.532 -4.672 -14.598 1.00 0.00 C ATOM 412 C SER A 25 -0.880 -4.666 -16.088 1.00 0.00 C ATOM 413 O SER A 25 -1.456 -3.722 -16.594 1.00 0.00 O ATOM 414 CB SER A 25 -1.476 -5.626 -13.865 1.00 0.00 C ATOM 415 OG SER A 25 -1.013 -6.960 -14.033 1.00 0.00 O ATOM 0 H SER A 25 -1.425 -3.179 -13.357 1.00 0.00 H new ATOM 0 HA SER A 25 0.497 -5.003 -14.460 1.00 0.00 H new ATOM 0 HB2 SER A 25 -1.518 -5.373 -12.806 1.00 0.00 H new ATOM 0 HB3 SER A 25 -2.489 -5.527 -14.256 1.00 0.00 H new ATOM 0 HG SER A 25 -1.613 -7.576 -13.564 1.00 0.00 H new ATOM 468 N SER A 30 -5.123 -2.115 -12.607 1.00 0.00 N ATOM 469 CA SER A 30 -4.519 -2.923 -11.500 1.00 0.00 C ATOM 470 C SER A 30 -3.149 -2.344 -11.129 1.00 0.00 C ATOM 471 O SER A 30 -2.517 -1.672 -11.923 1.00 0.00 O ATOM 472 CB SER A 30 -4.358 -4.378 -11.951 1.00 0.00 C ATOM 473 OG SER A 30 -5.580 -4.831 -12.520 1.00 0.00 O ATOM 0 HA SER A 30 -5.174 -2.887 -10.629 1.00 0.00 H new ATOM 0 HB2 SER A 30 -3.552 -4.458 -12.681 1.00 0.00 H new ATOM 0 HB3 SER A 30 -4.084 -5.006 -11.103 1.00 0.00 H new ATOM 0 HG SER A 30 -6.091 -4.063 -12.851 1.00 0.00 H new ATOM 479 N ILE A 31 -2.683 -2.596 -9.928 1.00 0.00 N ATOM 480 CA ILE A 31 -1.352 -2.054 -9.512 1.00 0.00 C ATOM 481 C ILE A 31 -0.470 -3.193 -8.991 1.00 0.00 C ATOM 482 O ILE A 31 -0.702 -3.731 -7.924 1.00 0.00 O ATOM 483 CB ILE A 31 -1.537 -1.006 -8.407 1.00 0.00 C ATOM 484 CG1 ILE A 31 -2.612 0.002 -8.827 1.00 0.00 C ATOM 485 CG2 ILE A 31 -0.216 -0.270 -8.179 1.00 0.00 C ATOM 486 CD1 ILE A 31 -2.945 0.918 -7.649 1.00 0.00 C ATOM 0 H ILE A 31 -3.165 -3.151 -9.221 1.00 0.00 H new ATOM 0 HA ILE A 31 -0.873 -1.588 -10.374 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.845 -1.502 -7.487 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -2.260 0.593 -9.672 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.508 -0.523 -9.157 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -0.345 0.475 -7.394 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.551 -0.984 -7.879 1.00 0.00 H new ATOM 0 HG23 ILE A 31 0.089 0.224 -9.101 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -3.710 1.634 -7.950 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.315 0.320 -6.816 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -2.048 1.454 -7.340 1.00 0.00 H new ATOM 498 N VAL A 32 0.540 -3.562 -9.738 1.00 0.00 N ATOM 499 CA VAL A 32 1.445 -4.665 -9.297 1.00 0.00 C ATOM 500 C VAL A 32 2.713 -4.066 -8.675 1.00 0.00 C ATOM 501 O VAL A 32 3.218 -3.056 -9.125 1.00 0.00 O ATOM 502 CB VAL A 32 1.818 -5.534 -10.505 1.00 0.00 C ATOM 503 CG1 VAL A 32 2.733 -6.682 -10.061 1.00 0.00 C ATOM 504 CG2 VAL A 32 0.544 -6.115 -11.123 1.00 0.00 C ATOM 0 H VAL A 32 0.777 -3.144 -10.638 1.00 0.00 H new ATOM 0 HA VAL A 32 0.937 -5.281 -8.555 1.00 0.00 H new ATOM 0 HB VAL A 32 2.341 -4.921 -11.239 1.00 0.00 H new ATOM 0 HG11 VAL A 32 2.993 -7.294 -10.924 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.642 -6.273 -9.619 1.00 0.00 H new ATOM 0 HG13 VAL A 32 2.215 -7.296 -9.324 1.00 0.00 H new ATOM 0 HG21 VAL A 32 0.805 -6.733 -11.982 1.00 0.00 H new ATOM 0 HG22 VAL A 32 0.025 -6.724 -10.382 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -0.107 -5.303 -11.446 1.00 0.00 H new ATOM 514 N VAL A 33 3.224 -4.689 -7.644 1.00 0.00 N ATOM 515 CA VAL A 33 4.456 -4.173 -6.978 1.00 0.00 C ATOM 516 C VAL A 33 5.433 -5.337 -6.738 1.00 0.00 C ATOM 517 O VAL A 33 5.184 -6.173 -5.890 1.00 0.00 O ATOM 518 CB VAL A 33 4.077 -3.539 -5.632 1.00 0.00 C ATOM 519 CG1 VAL A 33 5.332 -2.995 -4.930 1.00 0.00 C ATOM 520 CG2 VAL A 33 3.084 -2.393 -5.868 1.00 0.00 C ATOM 0 H VAL A 33 2.837 -5.539 -7.233 1.00 0.00 H new ATOM 0 HA VAL A 33 4.930 -3.425 -7.614 1.00 0.00 H new ATOM 0 HB VAL A 33 3.618 -4.298 -4.999 1.00 0.00 H new ATOM 0 HG11 VAL A 33 5.051 -2.548 -3.977 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.034 -3.811 -4.755 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.803 -2.240 -5.560 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.815 -1.943 -4.913 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.543 -1.640 -6.508 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.188 -2.782 -6.351 1.00 0.00 H new ATOM 530 N PRO A 34 6.521 -5.349 -7.482 1.00 0.00 N ATOM 531 CA PRO A 34 7.495 -6.445 -7.274 1.00 0.00 C ATOM 532 C PRO A 34 8.380 -6.140 -6.059 1.00 0.00 C ATOM 533 O PRO A 34 8.900 -7.037 -5.423 1.00 0.00 O ATOM 534 CB PRO A 34 8.325 -6.482 -8.558 1.00 0.00 C ATOM 535 CG PRO A 34 8.194 -5.088 -9.197 1.00 0.00 C ATOM 536 CD PRO A 34 6.944 -4.438 -8.579 1.00 0.00 C ATOM 0 HA PRO A 34 7.012 -7.402 -7.077 1.00 0.00 H new ATOM 0 HB2 PRO A 34 9.368 -6.714 -8.340 1.00 0.00 H new ATOM 0 HB3 PRO A 34 7.961 -7.256 -9.234 1.00 0.00 H new ATOM 0 HG2 PRO A 34 9.081 -4.486 -9.000 1.00 0.00 H new ATOM 0 HG3 PRO A 34 8.095 -5.166 -10.280 1.00 0.00 H new ATOM 0 HD2 PRO A 34 7.168 -3.442 -8.197 1.00 0.00 H new ATOM 0 HD3 PRO A 34 6.154 -4.324 -9.321 1.00 0.00 H new ATOM 544 N ASN A 35 8.550 -4.882 -5.733 1.00 0.00 N ATOM 545 CA ASN A 35 9.396 -4.515 -4.558 1.00 0.00 C ATOM 546 C ASN A 35 8.684 -3.427 -3.743 1.00 0.00 C ATOM 547 O ASN A 35 8.990 -2.255 -3.850 1.00 0.00 O ATOM 548 CB ASN A 35 10.753 -3.997 -5.051 1.00 0.00 C ATOM 549 CG ASN A 35 11.872 -4.565 -4.175 1.00 0.00 C ATOM 550 OD1 ASN A 35 11.683 -4.783 -2.994 1.00 0.00 O ATOM 551 ND2 ASN A 35 13.038 -4.815 -4.706 1.00 0.00 N ATOM 0 H ASN A 35 8.138 -4.093 -6.232 1.00 0.00 H new ATOM 0 HA ASN A 35 9.555 -5.390 -3.928 1.00 0.00 H new ATOM 0 HB2 ASN A 35 10.908 -4.288 -6.090 1.00 0.00 H new ATOM 0 HB3 ASN A 35 10.771 -2.908 -5.019 1.00 0.00 H new ATOM 0 HD21 ASN A 35 13.790 -5.193 -4.130 1.00 0.00 H new ATOM 0 HD22 ASN A 35 13.197 -4.632 -5.697 1.00 0.00 H new ATOM 558 N ARG A 36 7.729 -3.815 -2.935 1.00 0.00 N ATOM 559 CA ARG A 36 6.978 -2.819 -2.114 1.00 0.00 C ATOM 560 C ARG A 36 7.889 -2.261 -1.013 1.00 0.00 C ATOM 561 O ARG A 36 7.779 -1.111 -0.632 1.00 0.00 O ATOM 562 CB ARG A 36 5.754 -3.504 -1.480 1.00 0.00 C ATOM 563 CG ARG A 36 4.454 -2.828 -1.957 1.00 0.00 C ATOM 564 CD ARG A 36 3.748 -2.160 -0.776 1.00 0.00 C ATOM 565 NE ARG A 36 2.480 -1.524 -1.246 1.00 0.00 N ATOM 566 CZ ARG A 36 2.507 -0.547 -2.121 1.00 0.00 C ATOM 567 NH1 ARG A 36 3.504 0.297 -2.144 1.00 0.00 N ATOM 568 NH2 ARG A 36 1.527 -0.411 -2.973 1.00 0.00 N ATOM 0 H ARG A 36 7.437 -4.784 -2.809 1.00 0.00 H new ATOM 0 HA ARG A 36 6.647 -1.998 -2.750 1.00 0.00 H new ATOM 0 HB2 ARG A 36 5.741 -4.561 -1.747 1.00 0.00 H new ATOM 0 HB3 ARG A 36 5.822 -3.451 -0.393 1.00 0.00 H new ATOM 0 HG2 ARG A 36 4.680 -2.086 -2.723 1.00 0.00 H new ATOM 0 HG3 ARG A 36 3.796 -3.568 -2.414 1.00 0.00 H new ATOM 0 HD2 ARG A 36 3.532 -2.898 -0.003 1.00 0.00 H new ATOM 0 HD3 ARG A 36 4.399 -1.410 -0.327 1.00 0.00 H new ATOM 0 HE ARG A 36 1.585 -1.853 -0.883 1.00 0.00 H new ATOM 0 HH11 ARG A 36 4.270 0.199 -1.478 1.00 0.00 H new ATOM 0 HH12 ARG A 36 3.516 1.053 -2.828 1.00 0.00 H new ATOM 0 HH21 ARG A 36 0.743 -1.063 -2.957 1.00 0.00 H new ATOM 0 HH22 ARG A 36 1.545 0.348 -3.654 1.00 0.00 H new ATOM 582 N GLU A 37 8.776 -3.071 -0.495 1.00 0.00 N ATOM 583 CA GLU A 37 9.689 -2.596 0.592 1.00 0.00 C ATOM 584 C GLU A 37 10.587 -1.465 0.073 1.00 0.00 C ATOM 585 O GLU A 37 10.824 -0.492 0.763 1.00 0.00 O ATOM 586 CB GLU A 37 10.556 -3.763 1.086 1.00 0.00 C ATOM 587 CG GLU A 37 11.371 -4.343 -0.074 1.00 0.00 C ATOM 588 CD GLU A 37 11.937 -5.705 0.331 1.00 0.00 C ATOM 589 OE1 GLU A 37 11.210 -6.465 0.951 1.00 0.00 O ATOM 590 OE2 GLU A 37 13.086 -5.965 0.016 1.00 0.00 O ATOM 0 H GLU A 37 8.909 -4.042 -0.777 1.00 0.00 H new ATOM 0 HA GLU A 37 9.088 -2.217 1.419 1.00 0.00 H new ATOM 0 HB2 GLU A 37 11.225 -3.420 1.875 1.00 0.00 H new ATOM 0 HB3 GLU A 37 9.924 -4.538 1.519 1.00 0.00 H new ATOM 0 HG2 GLU A 37 10.742 -4.447 -0.958 1.00 0.00 H new ATOM 0 HG3 GLU A 37 12.182 -3.664 -0.338 1.00 0.00 H new ATOM 597 N ARG A 38 11.090 -1.587 -1.132 1.00 0.00 N ATOM 598 CA ARG A 38 11.978 -0.520 -1.692 1.00 0.00 C ATOM 599 C ARG A 38 11.135 0.671 -2.158 1.00 0.00 C ATOM 600 O ARG A 38 11.602 1.795 -2.196 1.00 0.00 O ATOM 601 CB ARG A 38 12.765 -1.083 -2.881 1.00 0.00 C ATOM 602 CG ARG A 38 14.165 -1.496 -2.416 1.00 0.00 C ATOM 603 CD ARG A 38 14.097 -2.864 -1.731 1.00 0.00 C ATOM 604 NE ARG A 38 15.291 -3.668 -2.117 1.00 0.00 N ATOM 605 CZ ARG A 38 15.612 -4.729 -1.429 1.00 0.00 C ATOM 606 NH1 ARG A 38 15.739 -4.651 -0.132 1.00 0.00 N ATOM 607 NH2 ARG A 38 15.809 -5.866 -2.037 1.00 0.00 N ATOM 0 H ARG A 38 10.924 -2.380 -1.752 1.00 0.00 H new ATOM 0 HA ARG A 38 12.670 -0.188 -0.918 1.00 0.00 H new ATOM 0 HB2 ARG A 38 12.242 -1.941 -3.303 1.00 0.00 H new ATOM 0 HB3 ARG A 38 12.838 -0.334 -3.670 1.00 0.00 H new ATOM 0 HG2 ARG A 38 14.844 -1.538 -3.267 1.00 0.00 H new ATOM 0 HG3 ARG A 38 14.564 -0.752 -1.726 1.00 0.00 H new ATOM 0 HD2 ARG A 38 14.062 -2.740 -0.649 1.00 0.00 H new ATOM 0 HD3 ARG A 38 13.184 -3.384 -2.022 1.00 0.00 H new ATOM 0 HE ARG A 38 15.857 -3.389 -2.918 1.00 0.00 H new ATOM 0 HH11 ARG A 38 15.587 -3.761 0.343 1.00 0.00 H new ATOM 0 HH12 ARG A 38 15.990 -5.480 0.407 1.00 0.00 H new ATOM 0 HH21 ARG A 38 15.712 -5.926 -3.051 1.00 0.00 H new ATOM 0 HH22 ARG A 38 16.060 -6.695 -1.499 1.00 0.00 H new ATOM 621 N PHE A 39 9.897 0.436 -2.514 1.00 0.00 N ATOM 622 CA PHE A 39 9.015 1.548 -2.982 1.00 0.00 C ATOM 623 C PHE A 39 8.930 2.631 -1.891 1.00 0.00 C ATOM 624 O PHE A 39 9.252 3.781 -2.121 1.00 0.00 O ATOM 625 CB PHE A 39 7.622 0.959 -3.292 1.00 0.00 C ATOM 626 CG PHE A 39 6.559 2.039 -3.350 1.00 0.00 C ATOM 627 CD1 PHE A 39 6.310 2.729 -4.544 1.00 0.00 C ATOM 628 CD2 PHE A 39 5.820 2.338 -2.198 1.00 0.00 C ATOM 629 CE1 PHE A 39 5.318 3.714 -4.581 1.00 0.00 C ATOM 630 CE2 PHE A 39 4.833 3.325 -2.238 1.00 0.00 C ATOM 631 CZ PHE A 39 4.580 4.011 -3.429 1.00 0.00 C ATOM 0 H PHE A 39 9.457 -0.484 -2.500 1.00 0.00 H new ATOM 0 HA PHE A 39 9.418 2.011 -3.883 1.00 0.00 H new ATOM 0 HB2 PHE A 39 7.654 0.428 -4.244 1.00 0.00 H new ATOM 0 HB3 PHE A 39 7.357 0.228 -2.528 1.00 0.00 H new ATOM 0 HD1 PHE A 39 6.882 2.501 -5.432 1.00 0.00 H new ATOM 0 HD2 PHE A 39 6.014 1.805 -1.279 1.00 0.00 H new ATOM 0 HE1 PHE A 39 5.121 4.246 -5.500 1.00 0.00 H new ATOM 0 HE2 PHE A 39 4.266 3.558 -1.349 1.00 0.00 H new ATOM 0 HZ PHE A 39 3.814 4.772 -3.461 1.00 0.00 H new ATOM 641 N VAL A 40 8.488 2.267 -0.715 1.00 0.00 N ATOM 642 CA VAL A 40 8.364 3.260 0.396 1.00 0.00 C ATOM 643 C VAL A 40 9.722 3.924 0.658 1.00 0.00 C ATOM 644 O VAL A 40 9.830 5.131 0.724 1.00 0.00 O ATOM 645 CB VAL A 40 7.899 2.532 1.667 1.00 0.00 C ATOM 646 CG1 VAL A 40 7.748 3.524 2.826 1.00 0.00 C ATOM 647 CG2 VAL A 40 6.550 1.858 1.407 1.00 0.00 C ATOM 0 H VAL A 40 8.205 1.317 -0.474 1.00 0.00 H new ATOM 0 HA VAL A 40 7.640 4.027 0.119 1.00 0.00 H new ATOM 0 HB VAL A 40 8.645 1.783 1.932 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.418 2.993 3.719 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.707 4.003 3.022 1.00 0.00 H new ATOM 0 HG13 VAL A 40 7.011 4.283 2.562 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.221 1.342 2.309 1.00 0.00 H new ATOM 0 HG22 VAL A 40 5.813 2.613 1.132 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.653 1.139 0.595 1.00 0.00 H new ATOM 657 N GLN A 41 10.744 3.132 0.831 1.00 0.00 N ATOM 658 CA GLN A 41 12.102 3.681 1.127 1.00 0.00 C ATOM 659 C GLN A 41 12.561 4.681 0.057 1.00 0.00 C ATOM 660 O GLN A 41 13.421 5.502 0.319 1.00 0.00 O ATOM 661 CB GLN A 41 13.101 2.528 1.201 1.00 0.00 C ATOM 662 CG GLN A 41 12.949 1.819 2.549 1.00 0.00 C ATOM 663 CD GLN A 41 13.957 2.382 3.556 1.00 0.00 C ATOM 664 OE1 GLN A 41 14.545 3.424 3.334 1.00 0.00 O ATOM 665 NE2 GLN A 41 14.182 1.733 4.666 1.00 0.00 N ATOM 0 H GLN A 41 10.697 2.114 0.780 1.00 0.00 H new ATOM 0 HA GLN A 41 12.052 4.210 2.079 1.00 0.00 H new ATOM 0 HB2 GLN A 41 12.926 1.826 0.385 1.00 0.00 H new ATOM 0 HB3 GLN A 41 14.118 2.904 1.086 1.00 0.00 H new ATOM 0 HG2 GLN A 41 11.935 1.951 2.926 1.00 0.00 H new ATOM 0 HG3 GLN A 41 13.107 0.748 2.425 1.00 0.00 H new ATOM 0 HE21 GLN A 41 13.690 0.859 4.855 1.00 0.00 H new ATOM 0 HE22 GLN A 41 14.849 2.100 5.345 1.00 0.00 H new ATOM 674 N GLU A 42 12.030 4.618 -1.141 1.00 0.00 N ATOM 675 CA GLU A 42 12.491 5.573 -2.198 1.00 0.00 C ATOM 676 C GLU A 42 11.306 6.186 -2.954 1.00 0.00 C ATOM 677 O GLU A 42 11.449 6.593 -4.092 1.00 0.00 O ATOM 678 CB GLU A 42 13.390 4.830 -3.190 1.00 0.00 C ATOM 679 CG GLU A 42 14.524 4.134 -2.433 1.00 0.00 C ATOM 680 CD GLU A 42 15.661 3.807 -3.402 1.00 0.00 C ATOM 681 OE1 GLU A 42 15.366 3.465 -4.535 1.00 0.00 O ATOM 682 OE2 GLU A 42 16.806 3.903 -2.994 1.00 0.00 O ATOM 0 H GLU A 42 11.308 3.957 -1.430 1.00 0.00 H new ATOM 0 HA GLU A 42 13.041 6.379 -1.713 1.00 0.00 H new ATOM 0 HB2 GLU A 42 12.806 4.096 -3.746 1.00 0.00 H new ATOM 0 HB3 GLU A 42 13.801 5.529 -3.918 1.00 0.00 H new ATOM 0 HG2 GLU A 42 14.889 4.777 -1.632 1.00 0.00 H new ATOM 0 HG3 GLU A 42 14.156 3.220 -1.966 1.00 0.00 H new ATOM 689 N VAL A 43 10.144 6.264 -2.347 1.00 0.00 N ATOM 690 CA VAL A 43 8.970 6.864 -3.067 1.00 0.00 C ATOM 691 C VAL A 43 7.980 7.495 -2.076 1.00 0.00 C ATOM 692 O VAL A 43 7.404 8.532 -2.351 1.00 0.00 O ATOM 693 CB VAL A 43 8.243 5.786 -3.881 1.00 0.00 C ATOM 694 CG1 VAL A 43 7.194 6.457 -4.768 1.00 0.00 C ATOM 695 CG2 VAL A 43 9.243 5.040 -4.768 1.00 0.00 C ATOM 0 H VAL A 43 9.957 5.943 -1.397 1.00 0.00 H new ATOM 0 HA VAL A 43 9.348 7.640 -3.733 1.00 0.00 H new ATOM 0 HB VAL A 43 7.767 5.079 -3.202 1.00 0.00 H new ATOM 0 HG11 VAL A 43 6.671 5.699 -5.351 1.00 0.00 H new ATOM 0 HG12 VAL A 43 6.478 6.992 -4.144 1.00 0.00 H new ATOM 0 HG13 VAL A 43 7.683 7.160 -5.442 1.00 0.00 H new ATOM 0 HG21 VAL A 43 8.720 4.276 -5.343 1.00 0.00 H new ATOM 0 HG22 VAL A 43 9.720 5.744 -5.450 1.00 0.00 H new ATOM 0 HG23 VAL A 43 10.002 4.568 -4.144 1.00 0.00 H new ATOM 705 N LEU A 44 7.757 6.874 -0.947 1.00 0.00 N ATOM 706 CA LEU A 44 6.784 7.433 0.041 1.00 0.00 C ATOM 707 C LEU A 44 7.233 8.820 0.544 1.00 0.00 C ATOM 708 O LEU A 44 6.428 9.733 0.590 1.00 0.00 O ATOM 709 CB LEU A 44 6.650 6.466 1.216 1.00 0.00 C ATOM 710 CG LEU A 44 5.470 6.877 2.099 1.00 0.00 C ATOM 711 CD1 LEU A 44 4.152 6.515 1.409 1.00 0.00 C ATOM 712 CD2 LEU A 44 5.560 6.133 3.432 1.00 0.00 C ATOM 0 H LEU A 44 8.207 6.003 -0.665 1.00 0.00 H new ATOM 0 HA LEU A 44 5.819 7.555 -0.450 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.503 5.451 0.847 1.00 0.00 H new ATOM 0 HB3 LEU A 44 7.569 6.462 1.802 1.00 0.00 H new ATOM 0 HG LEU A 44 5.503 7.953 2.268 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.316 6.810 2.043 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.086 7.037 0.455 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.115 5.439 1.237 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.722 6.421 4.067 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.526 5.059 3.252 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.496 6.388 3.929 1.00 0.00 H new ATOM 724 N PRO A 45 8.498 8.944 0.909 1.00 0.00 N ATOM 725 CA PRO A 45 8.956 10.274 1.402 1.00 0.00 C ATOM 726 C PRO A 45 9.057 11.296 0.259 1.00 0.00 C ATOM 727 O PRO A 45 9.300 12.464 0.496 1.00 0.00 O ATOM 728 CB PRO A 45 10.330 10.014 2.019 1.00 0.00 C ATOM 729 CG PRO A 45 10.850 8.723 1.374 1.00 0.00 C ATOM 730 CD PRO A 45 9.614 7.962 0.870 1.00 0.00 C ATOM 0 HA PRO A 45 8.253 10.699 2.119 1.00 0.00 H new ATOM 0 HB2 PRO A 45 11.007 10.846 1.826 1.00 0.00 H new ATOM 0 HB3 PRO A 45 10.257 9.907 3.101 1.00 0.00 H new ATOM 0 HG2 PRO A 45 11.531 8.946 0.552 1.00 0.00 H new ATOM 0 HG3 PRO A 45 11.407 8.125 2.096 1.00 0.00 H new ATOM 0 HD2 PRO A 45 9.770 7.586 -0.141 1.00 0.00 H new ATOM 0 HD3 PRO A 45 9.400 7.100 1.501 1.00 0.00 H new ATOM 738 N LYS A 46 8.862 10.879 -0.972 1.00 0.00 N ATOM 739 CA LYS A 46 8.935 11.842 -2.110 1.00 0.00 C ATOM 740 C LYS A 46 7.542 12.433 -2.386 1.00 0.00 C ATOM 741 O LYS A 46 7.306 13.004 -3.434 1.00 0.00 O ATOM 742 CB LYS A 46 9.442 11.110 -3.360 1.00 0.00 C ATOM 743 CG LYS A 46 10.580 11.908 -4.005 1.00 0.00 C ATOM 744 CD LYS A 46 11.781 11.974 -3.047 1.00 0.00 C ATOM 745 CE LYS A 46 13.022 11.387 -3.728 1.00 0.00 C ATOM 746 NZ LYS A 46 13.953 10.857 -2.693 1.00 0.00 N ATOM 0 H LYS A 46 8.656 9.915 -1.233 1.00 0.00 H new ATOM 0 HA LYS A 46 9.620 12.651 -1.856 1.00 0.00 H new ATOM 0 HB2 LYS A 46 9.792 10.113 -3.092 1.00 0.00 H new ATOM 0 HB3 LYS A 46 8.627 10.981 -4.072 1.00 0.00 H new ATOM 0 HG2 LYS A 46 10.878 11.440 -4.943 1.00 0.00 H new ATOM 0 HG3 LYS A 46 10.239 12.915 -4.245 1.00 0.00 H new ATOM 0 HD2 LYS A 46 11.969 13.007 -2.756 1.00 0.00 H new ATOM 0 HD3 LYS A 46 11.560 11.421 -2.134 1.00 0.00 H new ATOM 0 HE2 LYS A 46 12.731 10.591 -4.413 1.00 0.00 H new ATOM 0 HE3 LYS A 46 13.520 12.153 -4.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 14.795 10.459 -3.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 14.239 11.628 -2.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 13.475 10.114 -2.144 1.00 0.00 H new ATOM 760 N TYR A 47 6.620 12.304 -1.457 1.00 0.00 N ATOM 761 CA TYR A 47 5.252 12.859 -1.668 1.00 0.00 C ATOM 762 C TYR A 47 4.709 13.387 -0.338 1.00 0.00 C ATOM 763 O TYR A 47 4.157 14.470 -0.273 1.00 0.00 O ATOM 764 CB TYR A 47 4.324 11.757 -2.191 1.00 0.00 C ATOM 765 CG TYR A 47 4.565 11.552 -3.667 1.00 0.00 C ATOM 766 CD1 TYR A 47 5.656 10.786 -4.098 1.00 0.00 C ATOM 767 CD2 TYR A 47 3.698 12.125 -4.604 1.00 0.00 C ATOM 768 CE1 TYR A 47 5.879 10.595 -5.465 1.00 0.00 C ATOM 769 CE2 TYR A 47 3.921 11.933 -5.973 1.00 0.00 C ATOM 770 CZ TYR A 47 5.012 11.168 -6.403 1.00 0.00 C ATOM 771 OH TYR A 47 5.232 10.976 -7.752 1.00 0.00 O ATOM 0 H TYR A 47 6.762 11.836 -0.562 1.00 0.00 H new ATOM 0 HA TYR A 47 5.299 13.670 -2.395 1.00 0.00 H new ATOM 0 HB2 TYR A 47 4.505 10.828 -1.650 1.00 0.00 H new ATOM 0 HB3 TYR A 47 3.283 12.030 -2.016 1.00 0.00 H new ATOM 0 HD1 TYR A 47 6.325 10.343 -3.375 1.00 0.00 H new ATOM 0 HD2 TYR A 47 2.857 12.715 -4.271 1.00 0.00 H new ATOM 0 HE1 TYR A 47 6.720 10.005 -5.797 1.00 0.00 H new ATOM 0 HE2 TYR A 47 3.252 12.375 -6.697 1.00 0.00 H new ATOM 0 HH TYR A 47 4.538 11.440 -8.266 1.00 0.00 H new ATOM 781 N PHE A 48 4.862 12.629 0.720 1.00 0.00 N ATOM 782 CA PHE A 48 4.355 13.082 2.050 1.00 0.00 C ATOM 783 C PHE A 48 5.523 13.197 3.032 1.00 0.00 C ATOM 784 O PHE A 48 6.384 12.339 3.095 1.00 0.00 O ATOM 785 CB PHE A 48 3.331 12.074 2.579 1.00 0.00 C ATOM 786 CG PHE A 48 2.262 11.849 1.536 1.00 0.00 C ATOM 787 CD1 PHE A 48 2.497 10.962 0.479 1.00 0.00 C ATOM 788 CD2 PHE A 48 1.038 12.526 1.624 1.00 0.00 C ATOM 789 CE1 PHE A 48 1.510 10.752 -0.490 1.00 0.00 C ATOM 790 CE2 PHE A 48 0.051 12.314 0.653 1.00 0.00 C ATOM 791 CZ PHE A 48 0.288 11.428 -0.403 1.00 0.00 C ATOM 0 H PHE A 48 5.316 11.716 0.719 1.00 0.00 H new ATOM 0 HA PHE A 48 3.878 14.056 1.944 1.00 0.00 H new ATOM 0 HB2 PHE A 48 3.823 11.132 2.820 1.00 0.00 H new ATOM 0 HB3 PHE A 48 2.883 12.444 3.501 1.00 0.00 H new ATOM 0 HD1 PHE A 48 3.440 10.440 0.412 1.00 0.00 H new ATOM 0 HD2 PHE A 48 0.856 13.210 2.439 1.00 0.00 H new ATOM 0 HE1 PHE A 48 1.691 10.068 -1.306 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -0.893 12.835 0.720 1.00 0.00 H new ATOM 0 HZ PHE A 48 -0.473 11.265 -1.152 1.00 0.00 H new ATOM 801 N LYS A 49 5.564 14.266 3.783 1.00 0.00 N ATOM 802 CA LYS A 49 6.687 14.466 4.759 1.00 0.00 C ATOM 803 C LYS A 49 6.721 13.325 5.790 1.00 0.00 C ATOM 804 O LYS A 49 7.553 12.441 5.703 1.00 0.00 O ATOM 805 CB LYS A 49 6.570 15.828 5.482 1.00 0.00 C ATOM 806 CG LYS A 49 5.102 16.225 5.724 1.00 0.00 C ATOM 807 CD LYS A 49 4.686 17.317 4.732 1.00 0.00 C ATOM 808 CE LYS A 49 3.819 18.356 5.445 1.00 0.00 C ATOM 809 NZ LYS A 49 4.681 19.210 6.311 1.00 0.00 N ATOM 0 H LYS A 49 4.869 15.013 3.766 1.00 0.00 H new ATOM 0 HA LYS A 49 7.618 14.459 4.192 1.00 0.00 H new ATOM 0 HB2 LYS A 49 7.095 15.779 6.436 1.00 0.00 H new ATOM 0 HB3 LYS A 49 7.061 16.598 4.887 1.00 0.00 H new ATOM 0 HG2 LYS A 49 4.457 15.354 5.610 1.00 0.00 H new ATOM 0 HG3 LYS A 49 4.977 16.583 6.746 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.570 17.795 4.310 1.00 0.00 H new ATOM 0 HD3 LYS A 49 4.134 16.877 3.901 1.00 0.00 H new ATOM 0 HE2 LYS A 49 3.295 18.972 4.714 1.00 0.00 H new ATOM 0 HE3 LYS A 49 3.058 17.859 6.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 4.179 20.092 6.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 4.902 18.701 7.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 5.564 19.434 5.809 1.00 0.00 H new ATOM 823 N HIS A 50 5.845 13.337 6.769 1.00 0.00 N ATOM 824 CA HIS A 50 5.857 12.258 7.800 1.00 0.00 C ATOM 825 C HIS A 50 4.702 11.283 7.553 1.00 0.00 C ATOM 826 O HIS A 50 3.710 11.285 8.258 1.00 0.00 O ATOM 827 CB HIS A 50 5.721 12.886 9.191 1.00 0.00 C ATOM 828 CG HIS A 50 6.855 13.850 9.416 1.00 0.00 C ATOM 829 ND1 HIS A 50 8.037 13.468 10.030 1.00 0.00 N ATOM 830 CD2 HIS A 50 7.003 15.181 9.111 1.00 0.00 C ATOM 831 CE1 HIS A 50 8.838 14.548 10.075 1.00 0.00 C ATOM 832 NE2 HIS A 50 8.257 15.619 9.529 1.00 0.00 N ATOM 0 H HIS A 50 5.125 14.048 6.895 1.00 0.00 H new ATOM 0 HA HIS A 50 6.797 11.710 7.738 1.00 0.00 H new ATOM 0 HB2 HIS A 50 4.766 13.404 9.277 1.00 0.00 H new ATOM 0 HB3 HIS A 50 5.732 12.109 9.956 1.00 0.00 H new ATOM 0 HD2 HIS A 50 6.260 15.794 8.622 1.00 0.00 H new ATOM 0 HE1 HIS A 50 9.830 14.549 10.501 1.00 0.00 H new ATOM 0 HE2 HIS A 50 8.648 16.557 9.438 1.00 0.00 H new ATOM 840 N SER A 51 4.836 10.440 6.561 1.00 0.00 N ATOM 841 CA SER A 51 3.765 9.443 6.262 1.00 0.00 C ATOM 842 C SER A 51 4.314 8.041 6.528 1.00 0.00 C ATOM 843 O SER A 51 5.509 7.856 6.661 1.00 0.00 O ATOM 844 CB SER A 51 3.345 9.557 4.796 1.00 0.00 C ATOM 845 OG SER A 51 2.331 8.598 4.525 1.00 0.00 O ATOM 0 H SER A 51 5.646 10.400 5.942 1.00 0.00 H new ATOM 0 HA SER A 51 2.898 9.632 6.894 1.00 0.00 H new ATOM 0 HB2 SER A 51 2.977 10.562 4.588 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.203 9.390 4.145 1.00 0.00 H new ATOM 0 HG SER A 51 2.057 8.668 3.587 1.00 0.00 H new ATOM 851 N ASN A 52 3.457 7.055 6.612 1.00 0.00 N ATOM 852 CA ASN A 52 3.939 5.668 6.876 1.00 0.00 C ATOM 853 C ASN A 52 3.204 4.672 5.975 1.00 0.00 C ATOM 854 O ASN A 52 2.093 4.908 5.539 1.00 0.00 O ATOM 855 CB ASN A 52 3.687 5.313 8.345 1.00 0.00 C ATOM 856 CG ASN A 52 4.946 5.612 9.164 1.00 0.00 C ATOM 857 OD1 ASN A 52 6.017 5.137 8.844 1.00 0.00 O ATOM 858 ND2 ASN A 52 4.863 6.385 10.213 1.00 0.00 N ATOM 0 H ASN A 52 2.447 7.151 6.509 1.00 0.00 H new ATOM 0 HA ASN A 52 5.007 5.616 6.663 1.00 0.00 H new ATOM 0 HB2 ASN A 52 2.844 5.887 8.730 1.00 0.00 H new ATOM 0 HB3 ASN A 52 3.422 4.259 8.436 1.00 0.00 H new ATOM 0 HD21 ASN A 52 5.697 6.590 10.763 1.00 0.00 H new ATOM 0 HD22 ASN A 52 3.964 6.784 10.482 1.00 0.00 H new ATOM 865 N PHE A 53 3.827 3.552 5.698 1.00 0.00 N ATOM 866 CA PHE A 53 3.197 2.511 4.825 1.00 0.00 C ATOM 867 C PHE A 53 1.781 2.183 5.309 1.00 0.00 C ATOM 868 O PHE A 53 0.861 2.094 4.527 1.00 0.00 O ATOM 869 CB PHE A 53 4.053 1.242 4.881 1.00 0.00 C ATOM 870 CG PHE A 53 3.501 0.202 3.931 1.00 0.00 C ATOM 871 CD1 PHE A 53 3.293 0.519 2.583 1.00 0.00 C ATOM 872 CD2 PHE A 53 3.194 -1.079 4.404 1.00 0.00 C ATOM 873 CE1 PHE A 53 2.779 -0.445 1.710 1.00 0.00 C ATOM 874 CE2 PHE A 53 2.679 -2.044 3.530 1.00 0.00 C ATOM 875 CZ PHE A 53 2.472 -1.727 2.182 1.00 0.00 C ATOM 0 H PHE A 53 4.756 3.312 6.044 1.00 0.00 H new ATOM 0 HA PHE A 53 3.137 2.890 3.805 1.00 0.00 H new ATOM 0 HB2 PHE A 53 5.084 1.477 4.616 1.00 0.00 H new ATOM 0 HB3 PHE A 53 4.067 0.847 5.897 1.00 0.00 H new ATOM 0 HD1 PHE A 53 3.529 1.507 2.218 1.00 0.00 H new ATOM 0 HD2 PHE A 53 3.354 -1.323 5.444 1.00 0.00 H new ATOM 0 HE1 PHE A 53 2.619 -0.200 0.670 1.00 0.00 H new ATOM 0 HE2 PHE A 53 2.442 -3.032 3.895 1.00 0.00 H new ATOM 0 HZ PHE A 53 2.076 -2.471 1.507 1.00 0.00 H new ATOM 885 N ALA A 54 1.609 1.992 6.591 1.00 0.00 N ATOM 886 CA ALA A 54 0.255 1.654 7.138 1.00 0.00 C ATOM 887 C ALA A 54 -0.768 2.725 6.733 1.00 0.00 C ATOM 888 O ALA A 54 -1.892 2.417 6.379 1.00 0.00 O ATOM 889 CB ALA A 54 0.330 1.579 8.664 1.00 0.00 C ATOM 0 H ALA A 54 2.350 2.055 7.289 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.060 0.693 6.732 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.653 1.333 9.065 1.00 0.00 H new ATOM 0 HB2 ALA A 54 1.044 0.809 8.956 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.653 2.542 9.060 1.00 0.00 H new ATOM 895 N SER A 55 -0.389 3.975 6.791 1.00 0.00 N ATOM 896 CA SER A 55 -1.336 5.069 6.422 1.00 0.00 C ATOM 897 C SER A 55 -1.716 4.959 4.942 1.00 0.00 C ATOM 898 O SER A 55 -2.843 5.223 4.562 1.00 0.00 O ATOM 899 CB SER A 55 -0.666 6.419 6.675 1.00 0.00 C ATOM 900 OG SER A 55 -1.649 7.364 7.076 1.00 0.00 O ATOM 0 H SER A 55 0.539 4.286 7.079 1.00 0.00 H new ATOM 0 HA SER A 55 -2.238 4.983 7.028 1.00 0.00 H new ATOM 0 HB2 SER A 55 0.096 6.320 7.448 1.00 0.00 H new ATOM 0 HB3 SER A 55 -0.162 6.763 5.772 1.00 0.00 H new ATOM 0 HG SER A 55 -1.222 8.230 7.241 1.00 0.00 H new ATOM 906 N PHE A 56 -0.783 4.584 4.105 1.00 0.00 N ATOM 907 CA PHE A 56 -1.082 4.470 2.645 1.00 0.00 C ATOM 908 C PHE A 56 -2.064 3.322 2.392 1.00 0.00 C ATOM 909 O PHE A 56 -2.964 3.433 1.582 1.00 0.00 O ATOM 910 CB PHE A 56 0.217 4.205 1.875 1.00 0.00 C ATOM 911 CG PHE A 56 -0.046 4.261 0.384 1.00 0.00 C ATOM 912 CD1 PHE A 56 -0.781 5.323 -0.161 1.00 0.00 C ATOM 913 CD2 PHE A 56 0.447 3.251 -0.453 1.00 0.00 C ATOM 914 CE1 PHE A 56 -1.022 5.375 -1.539 1.00 0.00 C ATOM 915 CE2 PHE A 56 0.206 3.305 -1.832 1.00 0.00 C ATOM 916 CZ PHE A 56 -0.528 4.367 -2.375 1.00 0.00 C ATOM 0 H PHE A 56 0.174 4.351 4.370 1.00 0.00 H new ATOM 0 HA PHE A 56 -1.530 5.403 2.304 1.00 0.00 H new ATOM 0 HB2 PHE A 56 0.969 4.945 2.148 1.00 0.00 H new ATOM 0 HB3 PHE A 56 0.618 3.228 2.146 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -1.162 6.102 0.483 1.00 0.00 H new ATOM 0 HD2 PHE A 56 1.013 2.431 -0.035 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -1.589 6.193 -1.957 1.00 0.00 H new ATOM 0 HE2 PHE A 56 0.587 2.527 -2.477 1.00 0.00 H new ATOM 0 HZ PHE A 56 -0.713 4.408 -3.438 1.00 0.00 H new ATOM 926 N VAL A 57 -1.886 2.224 3.073 1.00 0.00 N ATOM 927 CA VAL A 57 -2.792 1.054 2.878 1.00 0.00 C ATOM 928 C VAL A 57 -4.204 1.419 3.334 1.00 0.00 C ATOM 929 O VAL A 57 -5.178 0.919 2.805 1.00 0.00 O ATOM 930 CB VAL A 57 -2.279 -0.136 3.694 1.00 0.00 C ATOM 931 CG1 VAL A 57 -3.139 -1.369 3.401 1.00 0.00 C ATOM 932 CG2 VAL A 57 -0.827 -0.433 3.309 1.00 0.00 C ATOM 0 H VAL A 57 -1.147 2.085 3.762 1.00 0.00 H new ATOM 0 HA VAL A 57 -2.812 0.784 1.822 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.335 0.105 4.755 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.772 -2.215 3.983 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -4.174 -1.163 3.673 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -3.083 -1.608 2.339 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -0.462 -1.280 3.890 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.774 -0.672 2.247 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.210 0.441 3.516 1.00 0.00 H new ATOM 942 N ARG A 58 -4.323 2.283 4.309 1.00 0.00 N ATOM 943 CA ARG A 58 -5.677 2.682 4.797 1.00 0.00 C ATOM 944 C ARG A 58 -6.374 3.526 3.726 1.00 0.00 C ATOM 945 O ARG A 58 -7.558 3.382 3.482 1.00 0.00 O ATOM 946 CB ARG A 58 -5.538 3.503 6.081 1.00 0.00 C ATOM 947 CG ARG A 58 -5.235 2.572 7.257 1.00 0.00 C ATOM 948 CD ARG A 58 -6.532 2.230 7.994 1.00 0.00 C ATOM 949 NE ARG A 58 -6.210 1.476 9.238 1.00 0.00 N ATOM 950 CZ ARG A 58 -6.781 0.325 9.470 1.00 0.00 C ATOM 951 NH1 ARG A 58 -6.878 -0.559 8.515 1.00 0.00 N ATOM 952 NH2 ARG A 58 -7.253 0.058 10.657 1.00 0.00 N ATOM 0 H ARG A 58 -3.541 2.729 4.788 1.00 0.00 H new ATOM 0 HA ARG A 58 -6.267 1.789 5.001 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -4.740 4.237 5.970 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -6.457 4.058 6.271 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -4.759 1.660 6.897 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -4.533 3.050 7.940 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -7.075 3.143 8.239 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -7.182 1.635 7.353 1.00 0.00 H new ATOM 0 HE ARG A 58 -5.543 1.859 9.908 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -6.508 -0.351 7.588 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -7.324 -1.458 8.696 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -7.176 0.749 11.404 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -7.699 -0.841 10.838 1.00 0.00 H new ATOM 966 N GLN A 59 -5.646 4.412 3.090 1.00 0.00 N ATOM 967 CA GLN A 59 -6.260 5.278 2.038 1.00 0.00 C ATOM 968 C GLN A 59 -6.803 4.419 0.890 1.00 0.00 C ATOM 969 O GLN A 59 -7.948 4.548 0.500 1.00 0.00 O ATOM 970 CB GLN A 59 -5.205 6.230 1.475 1.00 0.00 C ATOM 971 CG GLN A 59 -4.643 7.118 2.586 1.00 0.00 C ATOM 972 CD GLN A 59 -5.628 8.250 2.883 1.00 0.00 C ATOM 973 OE1 GLN A 59 -6.817 8.105 2.680 1.00 0.00 O ATOM 974 NE2 GLN A 59 -5.180 9.380 3.359 1.00 0.00 N ATOM 0 H GLN A 59 -4.652 4.572 3.255 1.00 0.00 H new ATOM 0 HA GLN A 59 -7.076 5.843 2.489 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -4.399 5.659 1.014 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -5.645 6.849 0.693 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -4.470 6.527 3.485 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -3.680 7.530 2.285 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -4.182 9.502 3.529 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -5.828 10.141 3.561 1.00 0.00 H new ATOM 983 N LEU A 60 -5.983 3.563 0.337 1.00 0.00 N ATOM 984 CA LEU A 60 -6.437 2.708 -0.804 1.00 0.00 C ATOM 985 C LEU A 60 -7.614 1.830 -0.371 1.00 0.00 C ATOM 986 O LEU A 60 -8.558 1.635 -1.114 1.00 0.00 O ATOM 987 CB LEU A 60 -5.282 1.817 -1.268 1.00 0.00 C ATOM 988 CG LEU A 60 -4.093 2.686 -1.686 1.00 0.00 C ATOM 989 CD1 LEU A 60 -2.835 1.820 -1.769 1.00 0.00 C ATOM 990 CD2 LEU A 60 -4.373 3.308 -3.056 1.00 0.00 C ATOM 0 H LEU A 60 -5.016 3.418 0.626 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.756 3.353 -1.623 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.986 1.142 -0.465 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -5.603 1.196 -2.105 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.944 3.477 -0.951 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.987 2.437 -2.067 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.635 1.374 -0.795 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.985 1.030 -2.505 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.527 3.927 -3.354 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -4.521 2.517 -3.791 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -5.271 3.924 -2.999 1.00 0.00 H new ATOM 1002 N ASN A 61 -7.563 1.298 0.822 1.00 0.00 N ATOM 1003 CA ASN A 61 -8.672 0.426 1.311 1.00 0.00 C ATOM 1004 C ASN A 61 -9.961 1.245 1.440 1.00 0.00 C ATOM 1005 O ASN A 61 -11.053 0.710 1.373 1.00 0.00 O ATOM 1006 CB ASN A 61 -8.295 -0.152 2.680 1.00 0.00 C ATOM 1007 CG ASN A 61 -8.776 -1.601 2.774 1.00 0.00 C ATOM 1008 OD1 ASN A 61 -9.575 -1.936 3.625 1.00 0.00 O ATOM 1009 ND2 ASN A 61 -8.319 -2.481 1.926 1.00 0.00 N ATOM 0 H ASN A 61 -6.797 1.431 1.482 1.00 0.00 H new ATOM 0 HA ASN A 61 -8.833 -0.385 0.601 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -7.215 -0.107 2.820 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -8.745 0.444 3.474 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -8.633 -3.450 1.978 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -7.648 -2.200 1.211 1.00 0.00 H new ATOM 1016 N MET A 62 -9.844 2.534 1.635 1.00 0.00 N ATOM 1017 CA MET A 62 -11.057 3.390 1.782 1.00 0.00 C ATOM 1018 C MET A 62 -11.643 3.737 0.405 1.00 0.00 C ATOM 1019 O MET A 62 -12.791 4.128 0.301 1.00 0.00 O ATOM 1020 CB MET A 62 -10.674 4.681 2.509 1.00 0.00 C ATOM 1021 CG MET A 62 -10.579 4.416 4.019 1.00 0.00 C ATOM 1022 SD MET A 62 -12.031 5.097 4.865 1.00 0.00 S ATOM 1023 CE MET A 62 -11.364 5.027 6.545 1.00 0.00 C ATOM 0 H MET A 62 -8.956 3.031 1.699 1.00 0.00 H new ATOM 0 HA MET A 62 -11.807 2.844 2.354 1.00 0.00 H new ATOM 0 HB2 MET A 62 -9.720 5.051 2.134 1.00 0.00 H new ATOM 0 HB3 MET A 62 -11.416 5.455 2.312 1.00 0.00 H new ATOM 0 HG2 MET A 62 -10.510 3.344 4.204 1.00 0.00 H new ATOM 0 HG3 MET A 62 -9.671 4.867 4.419 1.00 0.00 H new ATOM 0 HE1 MET A 62 -12.106 5.407 7.247 1.00 0.00 H new ATOM 0 HE2 MET A 62 -11.121 3.995 6.797 1.00 0.00 H new ATOM 0 HE3 MET A 62 -10.463 5.637 6.604 1.00 0.00 H new ATOM 1033 N TYR A 63 -10.869 3.609 -0.647 1.00 0.00 N ATOM 1034 CA TYR A 63 -11.391 3.946 -2.007 1.00 0.00 C ATOM 1035 C TYR A 63 -11.744 2.673 -2.792 1.00 0.00 C ATOM 1036 O TYR A 63 -12.318 2.748 -3.863 1.00 0.00 O ATOM 1037 CB TYR A 63 -10.329 4.737 -2.772 1.00 0.00 C ATOM 1038 CG TYR A 63 -10.058 6.032 -2.048 1.00 0.00 C ATOM 1039 CD1 TYR A 63 -11.061 7.005 -1.954 1.00 0.00 C ATOM 1040 CD2 TYR A 63 -8.804 6.261 -1.467 1.00 0.00 C ATOM 1041 CE1 TYR A 63 -10.811 8.205 -1.279 1.00 0.00 C ATOM 1042 CE2 TYR A 63 -8.554 7.462 -0.791 1.00 0.00 C ATOM 1043 CZ TYR A 63 -9.558 8.435 -0.697 1.00 0.00 C ATOM 1044 OH TYR A 63 -9.314 9.617 -0.030 1.00 0.00 O ATOM 0 H TYR A 63 -9.902 3.287 -0.621 1.00 0.00 H new ATOM 0 HA TYR A 63 -12.296 4.543 -1.894 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -9.412 4.153 -2.853 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -10.670 4.939 -3.788 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -12.028 6.829 -2.403 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -8.030 5.511 -1.540 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -11.585 8.955 -1.207 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -7.588 7.638 -0.342 1.00 0.00 H new ATOM 0 HH TYR A 63 -8.397 9.615 0.314 1.00 0.00 H new ATOM 1054 N GLY A 64 -11.419 1.509 -2.278 1.00 0.00 N ATOM 1055 CA GLY A 64 -11.752 0.249 -3.007 1.00 0.00 C ATOM 1056 C GLY A 64 -10.488 -0.341 -3.635 1.00 0.00 C ATOM 1057 O GLY A 64 -10.327 -0.348 -4.842 1.00 0.00 O ATOM 0 H GLY A 64 -10.939 1.380 -1.387 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -12.197 -0.471 -2.321 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -12.492 0.452 -3.781 1.00 0.00 H new ATOM 1061 N TRP A 65 -9.596 -0.843 -2.821 1.00 0.00 N ATOM 1062 CA TRP A 65 -8.340 -1.448 -3.351 1.00 0.00 C ATOM 1063 C TRP A 65 -7.992 -2.674 -2.501 1.00 0.00 C ATOM 1064 O TRP A 65 -7.440 -2.554 -1.422 1.00 0.00 O ATOM 1065 CB TRP A 65 -7.203 -0.426 -3.274 1.00 0.00 C ATOM 1066 CG TRP A 65 -7.393 0.625 -4.325 1.00 0.00 C ATOM 1067 CD1 TRP A 65 -7.692 1.923 -4.082 1.00 0.00 C ATOM 1068 CD2 TRP A 65 -7.298 0.492 -5.773 1.00 0.00 C ATOM 1069 NE1 TRP A 65 -7.786 2.595 -5.289 1.00 0.00 N ATOM 1070 CE2 TRP A 65 -7.551 1.756 -6.360 1.00 0.00 C ATOM 1071 CE3 TRP A 65 -7.018 -0.590 -6.627 1.00 0.00 C ATOM 1072 CZ2 TRP A 65 -7.528 1.937 -7.743 1.00 0.00 C ATOM 1073 CZ3 TRP A 65 -6.994 -0.411 -8.019 1.00 0.00 C ATOM 1074 CH2 TRP A 65 -7.249 0.850 -8.577 1.00 0.00 C ATOM 0 H TRP A 65 -9.685 -0.859 -1.805 1.00 0.00 H new ATOM 0 HA TRP A 65 -8.478 -1.744 -4.391 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -7.182 0.034 -2.286 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -6.244 -0.924 -3.414 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -7.834 2.363 -3.106 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -8.002 3.588 -5.376 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -6.820 -1.566 -6.209 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -7.724 2.911 -8.167 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -6.778 -1.250 -8.664 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -7.230 0.981 -9.649 1.00 0.00 H new ATOM 1085 N HIS A 66 -8.319 -3.851 -2.974 1.00 0.00 N ATOM 1086 CA HIS A 66 -8.022 -5.089 -2.193 1.00 0.00 C ATOM 1087 C HIS A 66 -6.552 -5.473 -2.371 1.00 0.00 C ATOM 1088 O HIS A 66 -5.809 -4.808 -3.068 1.00 0.00 O ATOM 1089 CB HIS A 66 -8.906 -6.234 -2.692 1.00 0.00 C ATOM 1090 CG HIS A 66 -10.287 -6.092 -2.117 1.00 0.00 C ATOM 1091 ND1 HIS A 66 -11.425 -6.107 -2.910 1.00 0.00 N ATOM 1092 CD2 HIS A 66 -10.730 -5.935 -0.827 1.00 0.00 C ATOM 1093 CE1 HIS A 66 -12.487 -5.963 -2.096 1.00 0.00 C ATOM 1094 NE2 HIS A 66 -12.121 -5.853 -0.817 1.00 0.00 N ATOM 0 H HIS A 66 -8.780 -4.007 -3.870 1.00 0.00 H new ATOM 0 HA HIS A 66 -8.224 -4.903 -1.138 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -8.952 -6.224 -3.781 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -8.476 -7.192 -2.400 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -10.097 -5.883 0.047 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -13.512 -5.939 -2.436 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -12.729 -5.734 -0.007 1.00 0.00 H new ATOM 1334 N ARG A 83 6.156 -8.992 -2.045 1.00 0.00 N ATOM 1335 CA ARG A 83 5.347 -8.863 -3.295 1.00 0.00 C ATOM 1336 C ARG A 83 3.909 -8.482 -2.932 1.00 0.00 C ATOM 1337 O ARG A 83 3.286 -9.106 -2.093 1.00 0.00 O ATOM 1338 CB ARG A 83 5.354 -10.190 -4.062 1.00 0.00 C ATOM 1339 CG ARG A 83 5.375 -9.905 -5.567 1.00 0.00 C ATOM 1340 CD ARG A 83 5.249 -11.217 -6.345 1.00 0.00 C ATOM 1341 NE ARG A 83 6.024 -11.119 -7.616 1.00 0.00 N ATOM 1342 CZ ARG A 83 5.704 -10.224 -8.512 1.00 0.00 C ATOM 1343 NH1 ARG A 83 4.533 -10.264 -9.086 1.00 0.00 N ATOM 1344 NH2 ARG A 83 6.555 -9.287 -8.832 1.00 0.00 N ATOM 0 HA ARG A 83 5.780 -8.088 -3.927 1.00 0.00 H new ATOM 0 HB2 ARG A 83 6.225 -10.782 -3.780 1.00 0.00 H new ATOM 0 HB3 ARG A 83 4.473 -10.777 -3.804 1.00 0.00 H new ATOM 0 HG2 ARG A 83 4.557 -9.235 -5.831 1.00 0.00 H new ATOM 0 HG3 ARG A 83 6.302 -9.399 -5.838 1.00 0.00 H new ATOM 0 HD2 ARG A 83 5.621 -12.046 -5.743 1.00 0.00 H new ATOM 0 HD3 ARG A 83 4.201 -11.425 -6.561 1.00 0.00 H new ATOM 0 HE ARG A 83 6.805 -11.752 -7.786 1.00 0.00 H new ATOM 0 HH11 ARG A 83 3.867 -10.994 -8.835 1.00 0.00 H new ATOM 0 HH12 ARG A 83 4.284 -9.565 -9.786 1.00 0.00 H new ATOM 0 HH21 ARG A 83 7.470 -9.254 -8.382 1.00 0.00 H new ATOM 0 HH22 ARG A 83 6.305 -8.588 -9.532 1.00 0.00 H new ATOM 1358 N TRP A 84 3.384 -7.455 -3.555 1.00 0.00 N ATOM 1359 CA TRP A 84 1.989 -7.021 -3.244 1.00 0.00 C ATOM 1360 C TRP A 84 1.170 -6.912 -4.533 1.00 0.00 C ATOM 1361 O TRP A 84 1.683 -6.565 -5.580 1.00 0.00 O ATOM 1362 CB TRP A 84 2.022 -5.653 -2.560 1.00 0.00 C ATOM 1363 CG TRP A 84 2.667 -5.772 -1.221 1.00 0.00 C ATOM 1364 CD1 TRP A 84 3.951 -6.135 -1.011 1.00 0.00 C ATOM 1365 CD2 TRP A 84 2.087 -5.531 0.094 1.00 0.00 C ATOM 1366 NE1 TRP A 84 4.201 -6.129 0.349 1.00 0.00 N ATOM 1367 CE2 TRP A 84 3.082 -5.765 1.073 1.00 0.00 C ATOM 1368 CE3 TRP A 84 0.808 -5.136 0.529 1.00 0.00 C ATOM 1369 CZ2 TRP A 84 2.817 -5.613 2.435 1.00 0.00 C ATOM 1370 CZ3 TRP A 84 0.539 -4.982 1.898 1.00 0.00 C ATOM 1371 CH2 TRP A 84 1.542 -5.220 2.849 1.00 0.00 C ATOM 0 H TRP A 84 3.862 -6.900 -4.265 1.00 0.00 H new ATOM 0 HA TRP A 84 1.530 -7.758 -2.585 1.00 0.00 H new ATOM 0 HB2 TRP A 84 2.572 -4.941 -3.176 1.00 0.00 H new ATOM 0 HB3 TRP A 84 1.009 -5.266 -2.452 1.00 0.00 H new ATOM 0 HD1 TRP A 84 4.666 -6.389 -1.780 1.00 0.00 H new ATOM 0 HE1 TRP A 84 5.101 -6.364 0.767 1.00 0.00 H new ATOM 0 HE3 TRP A 84 0.029 -4.950 -0.195 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 3.592 -5.798 3.164 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -0.446 -4.679 2.221 1.00 0.00 H new ATOM 0 HH2 TRP A 84 1.329 -5.099 3.901 1.00 0.00 H new ATOM 1382 N GLU A 85 -0.105 -7.189 -4.450 1.00 0.00 N ATOM 1383 CA GLU A 85 -0.986 -7.091 -5.649 1.00 0.00 C ATOM 1384 C GLU A 85 -2.194 -6.226 -5.288 1.00 0.00 C ATOM 1385 O GLU A 85 -2.587 -6.165 -4.140 1.00 0.00 O ATOM 1386 CB GLU A 85 -1.454 -8.491 -6.058 1.00 0.00 C ATOM 1387 CG GLU A 85 -0.243 -9.342 -6.467 1.00 0.00 C ATOM 1388 CD GLU A 85 0.048 -10.385 -5.385 1.00 0.00 C ATOM 1389 OE1 GLU A 85 0.005 -10.030 -4.219 1.00 0.00 O ATOM 1390 OE2 GLU A 85 0.310 -11.523 -5.742 1.00 0.00 O ATOM 0 H GLU A 85 -0.577 -7.482 -3.594 1.00 0.00 H new ATOM 0 HA GLU A 85 -0.442 -6.645 -6.482 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -1.981 -8.965 -5.230 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -2.159 -8.422 -6.887 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -0.439 -9.837 -7.418 1.00 0.00 H new ATOM 0 HG3 GLU A 85 0.628 -8.704 -6.613 1.00 0.00 H new ATOM 1397 N PHE A 86 -2.775 -5.541 -6.243 1.00 0.00 N ATOM 1398 CA PHE A 86 -3.946 -4.669 -5.923 1.00 0.00 C ATOM 1399 C PHE A 86 -4.971 -4.704 -7.057 1.00 0.00 C ATOM 1400 O PHE A 86 -4.626 -4.658 -8.224 1.00 0.00 O ATOM 1401 CB PHE A 86 -3.468 -3.229 -5.724 1.00 0.00 C ATOM 1402 CG PHE A 86 -2.529 -3.169 -4.544 1.00 0.00 C ATOM 1403 CD1 PHE A 86 -1.174 -3.478 -4.711 1.00 0.00 C ATOM 1404 CD2 PHE A 86 -3.012 -2.800 -3.283 1.00 0.00 C ATOM 1405 CE1 PHE A 86 -0.303 -3.422 -3.618 1.00 0.00 C ATOM 1406 CE2 PHE A 86 -2.141 -2.742 -2.190 1.00 0.00 C ATOM 1407 CZ PHE A 86 -0.786 -3.054 -2.357 1.00 0.00 C ATOM 0 H PHE A 86 -2.491 -5.548 -7.223 1.00 0.00 H new ATOM 0 HA PHE A 86 -4.416 -5.039 -5.011 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -2.963 -2.875 -6.623 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -4.321 -2.571 -5.557 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -0.801 -3.760 -5.684 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -4.057 -2.560 -3.154 1.00 0.00 H new ATOM 0 HE1 PHE A 86 0.742 -3.663 -3.747 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -2.513 -2.457 -1.217 1.00 0.00 H new ATOM 0 HZ PHE A 86 -0.114 -3.011 -1.513 1.00 0.00 H new ATOM 1417 N GLU A 87 -6.232 -4.771 -6.711 1.00 0.00 N ATOM 1418 CA GLU A 87 -7.306 -4.796 -7.744 1.00 0.00 C ATOM 1419 C GLU A 87 -8.492 -3.961 -7.249 1.00 0.00 C ATOM 1420 O GLU A 87 -8.526 -3.532 -6.110 1.00 0.00 O ATOM 1421 CB GLU A 87 -7.757 -6.244 -7.987 1.00 0.00 C ATOM 1422 CG GLU A 87 -7.276 -6.708 -9.363 1.00 0.00 C ATOM 1423 CD GLU A 87 -7.767 -8.134 -9.624 1.00 0.00 C ATOM 1424 OE1 GLU A 87 -7.486 -8.994 -8.808 1.00 0.00 O ATOM 1425 OE2 GLU A 87 -8.418 -8.339 -10.636 1.00 0.00 O ATOM 0 H GLU A 87 -6.564 -4.810 -5.747 1.00 0.00 H new ATOM 0 HA GLU A 87 -6.928 -4.381 -8.678 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -7.355 -6.896 -7.211 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -8.843 -6.312 -7.929 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -7.650 -6.037 -10.136 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -6.188 -6.673 -9.410 1.00 0.00 H new