USER MOD reduce.3.24.130724 H: found=0, std=0, add=808, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 810 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 4 ASN : amide:sc= 0.17 X(o=0.22,f=-0.12) USER MOD Set 1.2: A 98 TYR OH : rot 111:sc= 0.0498 USER MOD Single : A 2 SER OG : rot 27:sc= 0.0761 USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 TYR OH : rot 180:sc= -0.108 USER MOD Single : A 19 THR OG1 : rot 156:sc= 1.26 USER MOD Single : A 26 LYS NZ :NH3+ 162:sc= -0.0483 (180deg=-0.374) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 CYS SG : rot 180:sc= -0.167 USER MOD Single : A 35 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 39 SER OG : rot 13:sc= 1.02 USER MOD Single : A 41 SER OG : rot -120:sc= -1.9! USER MOD Single : A 46 GLN : amide:sc= -0.0361 K(o=-0.036,f=-0.64) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 MET CE :methyl -143:sc= -0.228 (180deg=-0.872) USER MOD Single : A 62 THR OG1 : rot -36:sc= 1.13 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -168:sc= -0.0186 (180deg=-0.14) USER MOD Single : A 67 ASN : amide:sc= -0.0854 X(o=-0.085,f=-0.12) USER MOD Single : A 72 ASN : amide:sc= -0.415 K(o=-0.42,f=-3.3!) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= -0.0215 X(o=-0.022,f=-0.46) USER MOD Single : A 79 LYS NZ :NH3+ 179:sc= 1.1 (180deg=1.1) USER MOD Single : A 90 LYS NZ :NH3+ 170:sc= 1.24 (180deg=1.18) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 126:sc= 0.0193 (180deg=-0.09) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 ASN : amide:sc= -1.21 K(o=-1.2,f=0) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 14 N SER A 2 -5.458 21.259 -1.737 1.00 0.00 N ATOM 15 CA SER A 2 -6.129 20.347 -2.661 1.00 0.00 C ATOM 16 C SER A 2 -5.155 19.796 -3.701 1.00 0.00 C ATOM 17 O SER A 2 -4.913 20.413 -4.740 1.00 0.00 O ATOM 18 CB SER A 2 -7.308 21.042 -3.349 1.00 0.00 C ATOM 19 OG SER A 2 -8.235 21.544 -2.398 1.00 0.00 O ATOM 0 HA SER A 2 -6.511 19.508 -2.079 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.940 21.860 -3.969 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.810 20.339 -4.014 1.00 0.00 H new ATOM 0 HG SER A 2 -7.770 21.731 -1.556 1.00 0.00 H new ATOM 25 N ARG A 3 -4.584 18.638 -3.406 1.00 0.00 N ATOM 26 CA ARG A 3 -3.660 17.989 -4.321 1.00 0.00 C ATOM 27 C ARG A 3 -4.112 16.565 -4.612 1.00 0.00 C ATOM 28 O ARG A 3 -5.065 16.067 -4.002 1.00 0.00 O ATOM 29 CB ARG A 3 -2.227 18.019 -3.771 1.00 0.00 C ATOM 30 CG ARG A 3 -1.516 19.343 -4.030 1.00 0.00 C ATOM 31 CD ARG A 3 -0.072 19.325 -3.545 1.00 0.00 C ATOM 32 NE ARG A 3 0.041 19.600 -2.112 1.00 0.00 N ATOM 33 CZ ARG A 3 1.132 19.350 -1.382 1.00 0.00 C ATOM 34 NH1 ARG A 3 2.204 18.796 -1.935 1.00 0.00 N ATOM 35 NH2 ARG A 3 1.159 19.669 -0.098 1.00 0.00 N ATOM 0 H ARG A 3 -4.745 18.128 -2.538 1.00 0.00 H new ATOM 0 HA ARG A 3 -3.661 18.542 -5.260 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -2.252 17.830 -2.698 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -1.653 17.210 -4.224 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -1.536 19.562 -5.098 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -2.056 20.147 -3.530 1.00 0.00 H new ATOM 0 HD2 ARG A 3 0.368 18.352 -3.761 1.00 0.00 H new ATOM 0 HD3 ARG A 3 0.504 20.065 -4.100 1.00 0.00 H new ATOM 0 HE ARG A 3 -0.765 20.009 -1.640 1.00 0.00 H new ATOM 0 HH11 ARG A 3 2.200 18.557 -2.927 1.00 0.00 H new ATOM 0 HH12 ARG A 3 3.031 18.610 -1.368 1.00 0.00 H new ATOM 0 HH21 ARG A 3 0.346 20.106 0.336 1.00 0.00 H new ATOM 0 HH22 ARG A 3 1.993 19.477 0.458 1.00 0.00 H new ATOM 49 N ASN A 4 -3.440 15.917 -5.554 1.00 0.00 N ATOM 50 CA ASN A 4 -3.853 14.602 -6.026 1.00 0.00 C ATOM 51 C ASN A 4 -2.716 13.592 -5.894 1.00 0.00 C ATOM 52 O ASN A 4 -1.556 13.914 -6.162 1.00 0.00 O ATOM 53 CB ASN A 4 -4.301 14.686 -7.492 1.00 0.00 C ATOM 54 CG ASN A 4 -5.484 15.619 -7.703 1.00 0.00 C ATOM 55 OD1 ASN A 4 -5.587 16.276 -8.736 1.00 0.00 O ATOM 56 ND2 ASN A 4 -6.392 15.670 -6.745 1.00 0.00 N ATOM 0 H ASN A 4 -2.603 16.282 -6.008 1.00 0.00 H new ATOM 0 HA ASN A 4 -4.687 14.267 -5.409 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -3.464 15.026 -8.102 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -4.566 13.688 -7.842 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -7.211 16.269 -6.850 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -6.274 15.111 -5.900 1.00 0.00 H new ATOM 63 N PRO A 5 -3.035 12.369 -5.453 1.00 0.00 N ATOM 64 CA PRO A 5 -2.077 11.279 -5.344 1.00 0.00 C ATOM 65 C PRO A 5 -2.114 10.358 -6.566 1.00 0.00 C ATOM 66 O PRO A 5 -2.543 10.761 -7.647 1.00 0.00 O ATOM 67 CB PRO A 5 -2.587 10.551 -4.103 1.00 0.00 C ATOM 68 CG PRO A 5 -4.075 10.722 -4.143 1.00 0.00 C ATOM 69 CD PRO A 5 -4.364 11.941 -4.996 1.00 0.00 C ATOM 0 HA PRO A 5 -1.042 11.615 -5.283 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -2.309 9.497 -4.121 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -2.164 10.977 -3.193 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -4.553 9.837 -4.563 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -4.474 10.853 -3.137 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -5.017 11.697 -5.834 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -4.861 12.723 -4.422 1.00 0.00 H new ATOM 77 N GLU A 6 -1.665 9.124 -6.388 1.00 0.00 N ATOM 78 CA GLU A 6 -1.699 8.138 -7.456 1.00 0.00 C ATOM 79 C GLU A 6 -2.960 7.286 -7.327 1.00 0.00 C ATOM 80 O GLU A 6 -3.180 6.638 -6.300 1.00 0.00 O ATOM 81 CB GLU A 6 -0.437 7.274 -7.412 1.00 0.00 C ATOM 82 CG GLU A 6 -0.328 6.271 -8.549 1.00 0.00 C ATOM 83 CD GLU A 6 1.040 5.625 -8.611 1.00 0.00 C ATOM 84 OE1 GLU A 6 1.493 5.076 -7.587 1.00 0.00 O ATOM 85 OE2 GLU A 6 1.687 5.685 -9.682 1.00 0.00 O ATOM 0 H GLU A 6 -1.272 8.782 -5.511 1.00 0.00 H new ATOM 0 HA GLU A 6 -1.725 8.644 -8.421 1.00 0.00 H new ATOM 0 HB2 GLU A 6 0.437 7.926 -7.432 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -0.411 6.736 -6.464 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -1.087 5.499 -8.425 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -0.535 6.772 -9.495 1.00 0.00 H new ATOM 92 N VAL A 7 -3.790 7.305 -8.362 1.00 0.00 N ATOM 93 CA VAL A 7 -5.093 6.659 -8.318 1.00 0.00 C ATOM 94 C VAL A 7 -5.212 5.556 -9.373 1.00 0.00 C ATOM 95 O VAL A 7 -4.998 5.793 -10.561 1.00 0.00 O ATOM 96 CB VAL A 7 -6.221 7.694 -8.532 1.00 0.00 C ATOM 97 CG1 VAL A 7 -7.585 7.017 -8.600 1.00 0.00 C ATOM 98 CG2 VAL A 7 -6.199 8.744 -7.432 1.00 0.00 C ATOM 0 H VAL A 7 -3.580 7.765 -9.248 1.00 0.00 H new ATOM 0 HA VAL A 7 -5.194 6.207 -7.331 1.00 0.00 H new ATOM 0 HB VAL A 7 -6.045 8.189 -9.487 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -8.358 7.770 -8.751 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -7.600 6.311 -9.430 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -7.774 6.485 -7.668 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -7.000 9.464 -7.600 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -6.342 8.261 -6.465 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -5.239 9.261 -7.441 1.00 0.00 H new ATOM 108 N LEU A 8 -5.538 4.354 -8.927 1.00 0.00 N ATOM 109 CA LEU A 8 -5.788 3.232 -9.826 1.00 0.00 C ATOM 110 C LEU A 8 -7.258 2.838 -9.754 1.00 0.00 C ATOM 111 O LEU A 8 -7.889 2.995 -8.710 1.00 0.00 O ATOM 112 CB LEU A 8 -4.936 2.030 -9.427 1.00 0.00 C ATOM 113 CG LEU A 8 -3.472 2.333 -9.126 1.00 0.00 C ATOM 114 CD1 LEU A 8 -2.769 1.097 -8.589 1.00 0.00 C ATOM 115 CD2 LEU A 8 -2.764 2.851 -10.368 1.00 0.00 C ATOM 0 H LEU A 8 -5.637 4.126 -7.938 1.00 0.00 H new ATOM 0 HA LEU A 8 -5.530 3.536 -10.840 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -5.382 1.567 -8.546 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -4.979 1.294 -10.230 1.00 0.00 H new ATOM 0 HG LEU A 8 -3.435 3.109 -8.362 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -1.726 1.334 -8.380 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -3.258 0.771 -7.671 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.819 0.299 -9.330 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -1.721 3.061 -10.131 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -2.813 2.099 -11.155 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -3.250 3.765 -10.709 1.00 0.00 H new ATOM 127 N TRP A 9 -7.808 2.335 -10.846 1.00 0.00 N ATOM 128 CA TRP A 9 -9.167 1.818 -10.818 1.00 0.00 C ATOM 129 C TRP A 9 -9.259 0.480 -11.540 1.00 0.00 C ATOM 130 O TRP A 9 -8.437 0.158 -12.397 1.00 0.00 O ATOM 131 CB TRP A 9 -10.162 2.819 -11.422 1.00 0.00 C ATOM 132 CG TRP A 9 -10.156 2.883 -12.922 1.00 0.00 C ATOM 133 CD1 TRP A 9 -9.257 3.537 -13.713 1.00 0.00 C ATOM 134 CD2 TRP A 9 -11.105 2.279 -13.809 1.00 0.00 C ATOM 135 NE1 TRP A 9 -9.595 3.385 -15.039 1.00 0.00 N ATOM 136 CE2 TRP A 9 -10.725 2.614 -15.124 1.00 0.00 C ATOM 137 CE3 TRP A 9 -12.241 1.488 -13.619 1.00 0.00 C ATOM 138 CZ2 TRP A 9 -11.444 2.184 -16.240 1.00 0.00 C ATOM 139 CZ3 TRP A 9 -12.950 1.061 -14.725 1.00 0.00 C ATOM 140 CH2 TRP A 9 -12.551 1.410 -16.021 1.00 0.00 C ATOM 0 H TRP A 9 -7.343 2.273 -11.752 1.00 0.00 H new ATOM 0 HA TRP A 9 -9.434 1.666 -9.772 1.00 0.00 H new ATOM 0 HB2 TRP A 9 -11.166 2.559 -11.087 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -9.942 3.811 -11.029 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -8.404 4.093 -13.352 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -9.087 3.782 -15.830 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -12.560 1.215 -12.624 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -11.138 2.452 -17.240 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -13.828 0.447 -14.588 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -13.128 1.061 -16.864 1.00 0.00 H new ATOM 151 N ALA A 10 -10.264 -0.293 -11.167 1.00 0.00 N ATOM 152 CA ALA A 10 -10.548 -1.579 -11.787 1.00 0.00 C ATOM 153 C ALA A 10 -12.028 -1.888 -11.614 1.00 0.00 C ATOM 154 O ALA A 10 -12.724 -1.174 -10.903 1.00 0.00 O ATOM 155 CB ALA A 10 -9.692 -2.676 -11.168 1.00 0.00 C ATOM 0 H ALA A 10 -10.912 -0.045 -10.419 1.00 0.00 H new ATOM 0 HA ALA A 10 -10.306 -1.534 -12.849 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -9.920 -3.629 -11.646 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -8.638 -2.440 -11.313 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -9.905 -2.745 -10.101 1.00 0.00 H new ATOM 161 N GLN A 11 -12.516 -2.936 -12.254 1.00 0.00 N ATOM 162 CA GLN A 11 -13.923 -3.292 -12.136 1.00 0.00 C ATOM 163 C GLN A 11 -14.086 -4.803 -12.117 1.00 0.00 C ATOM 164 O GLN A 11 -13.428 -5.514 -12.881 1.00 0.00 O ATOM 165 CB GLN A 11 -14.725 -2.689 -13.296 1.00 0.00 C ATOM 166 CG GLN A 11 -16.231 -2.763 -13.098 1.00 0.00 C ATOM 167 CD GLN A 11 -17.004 -2.212 -14.281 1.00 0.00 C ATOM 168 OE1 GLN A 11 -17.361 -2.944 -15.200 1.00 0.00 O ATOM 169 NE2 GLN A 11 -17.265 -0.914 -14.268 1.00 0.00 N ATOM 0 H GLN A 11 -11.968 -3.551 -12.855 1.00 0.00 H new ATOM 0 HA GLN A 11 -14.305 -2.887 -11.199 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -14.435 -1.646 -13.424 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -14.462 -3.209 -14.217 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -16.521 -3.800 -12.931 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -16.503 -2.207 -12.201 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -16.952 -0.339 -13.486 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -17.780 -0.490 -15.040 1.00 0.00 H new ATOM 178 N ARG A 12 -14.943 -5.290 -11.230 1.00 0.00 N ATOM 179 CA ARG A 12 -15.231 -6.714 -11.148 1.00 0.00 C ATOM 180 C ARG A 12 -16.734 -6.956 -11.097 1.00 0.00 C ATOM 181 O ARG A 12 -17.328 -6.966 -10.016 1.00 0.00 O ATOM 182 CB ARG A 12 -14.567 -7.341 -9.918 1.00 0.00 C ATOM 183 CG ARG A 12 -13.052 -7.456 -10.016 1.00 0.00 C ATOM 184 CD ARG A 12 -12.470 -8.123 -8.781 1.00 0.00 C ATOM 185 NE ARG A 12 -11.022 -8.320 -8.881 1.00 0.00 N ATOM 186 CZ ARG A 12 -10.294 -8.967 -7.966 1.00 0.00 C ATOM 187 NH1 ARG A 12 -10.870 -9.476 -6.886 1.00 0.00 N ATOM 188 NH2 ARG A 12 -8.987 -9.116 -8.138 1.00 0.00 N ATOM 0 H ARG A 12 -15.452 -4.718 -10.556 1.00 0.00 H new ATOM 0 HA ARG A 12 -14.823 -7.185 -12.043 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -14.819 -6.746 -9.040 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -14.986 -8.335 -9.760 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -12.785 -8.031 -10.903 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -12.616 -6.464 -10.136 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -12.691 -7.514 -7.905 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -12.955 -9.087 -8.630 1.00 0.00 H new ATOM 0 HE ARG A 12 -10.541 -7.941 -9.697 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -11.876 -9.375 -6.749 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -10.308 -9.969 -6.192 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -8.536 -8.736 -8.970 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -8.434 -9.610 -7.438 1.00 0.00 H new ATOM 202 N SER A 13 -17.323 -7.135 -12.277 1.00 0.00 N ATOM 203 CA SER A 13 -18.743 -7.455 -12.449 1.00 0.00 C ATOM 204 C SER A 13 -19.665 -6.453 -11.737 1.00 0.00 C ATOM 205 O SER A 13 -20.136 -5.489 -12.345 1.00 0.00 O ATOM 206 CB SER A 13 -19.026 -8.888 -11.975 1.00 0.00 C ATOM 207 OG SER A 13 -20.234 -9.386 -12.528 1.00 0.00 O ATOM 0 H SER A 13 -16.818 -7.061 -13.160 1.00 0.00 H new ATOM 0 HA SER A 13 -18.964 -7.380 -13.514 1.00 0.00 H new ATOM 0 HB2 SER A 13 -18.198 -9.537 -12.260 1.00 0.00 H new ATOM 0 HB3 SER A 13 -19.087 -8.908 -10.887 1.00 0.00 H new ATOM 0 HG SER A 13 -20.387 -10.300 -12.210 1.00 0.00 H new ATOM 213 N ASP A 14 -19.900 -6.676 -10.450 1.00 0.00 N ATOM 214 CA ASP A 14 -20.861 -5.889 -9.686 1.00 0.00 C ATOM 215 C ASP A 14 -20.298 -4.538 -9.273 1.00 0.00 C ATOM 216 O ASP A 14 -20.990 -3.523 -9.333 1.00 0.00 O ATOM 217 CB ASP A 14 -21.283 -6.640 -8.424 1.00 0.00 C ATOM 218 CG ASP A 14 -22.207 -7.804 -8.704 1.00 0.00 C ATOM 219 OD1 ASP A 14 -21.709 -8.908 -8.997 1.00 0.00 O ATOM 220 OD2 ASP A 14 -23.438 -7.622 -8.611 1.00 0.00 O ATOM 0 H ASP A 14 -19.433 -7.403 -9.908 1.00 0.00 H new ATOM 0 HA ASP A 14 -21.718 -5.726 -10.339 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -20.393 -7.006 -7.912 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -21.779 -5.946 -7.745 1.00 0.00 H new ATOM 225 N LYS A 15 -19.045 -4.521 -8.856 1.00 0.00 N ATOM 226 CA LYS A 15 -18.494 -3.342 -8.210 1.00 0.00 C ATOM 227 C LYS A 15 -17.210 -2.858 -8.866 1.00 0.00 C ATOM 228 O LYS A 15 -16.516 -3.604 -9.560 1.00 0.00 O ATOM 229 CB LYS A 15 -18.257 -3.627 -6.725 1.00 0.00 C ATOM 230 CG LYS A 15 -17.642 -4.990 -6.455 1.00 0.00 C ATOM 231 CD LYS A 15 -17.469 -5.232 -4.967 1.00 0.00 C ATOM 232 CE LYS A 15 -17.158 -6.688 -4.675 1.00 0.00 C ATOM 233 NZ LYS A 15 -17.087 -6.950 -3.217 1.00 0.00 N ATOM 0 H LYS A 15 -18.395 -5.301 -8.951 1.00 0.00 H new ATOM 0 HA LYS A 15 -19.225 -2.541 -8.321 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -17.604 -2.856 -6.316 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -19.206 -3.555 -6.194 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -18.276 -5.768 -6.881 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -16.674 -5.060 -6.952 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -16.664 -4.603 -4.586 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -18.378 -4.940 -4.441 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -17.925 -7.321 -5.122 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -16.210 -6.958 -5.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -16.873 -7.955 -3.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -16.339 -6.364 -2.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -18.000 -6.715 -2.777 1.00 0.00 H new ATOM 247 N VAL A 16 -16.917 -1.590 -8.631 1.00 0.00 N ATOM 248 CA VAL A 16 -15.715 -0.960 -9.136 1.00 0.00 C ATOM 249 C VAL A 16 -14.717 -0.769 -7.998 1.00 0.00 C ATOM 250 O VAL A 16 -15.097 -0.441 -6.870 1.00 0.00 O ATOM 251 CB VAL A 16 -16.039 0.400 -9.811 1.00 0.00 C ATOM 252 CG1 VAL A 16 -16.740 1.344 -8.844 1.00 0.00 C ATOM 253 CG2 VAL A 16 -14.782 1.047 -10.373 1.00 0.00 C ATOM 0 H VAL A 16 -17.511 -0.968 -8.082 1.00 0.00 H new ATOM 0 HA VAL A 16 -15.274 -1.609 -9.893 1.00 0.00 H new ATOM 0 HB VAL A 16 -16.718 0.200 -10.640 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -16.953 2.287 -9.347 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -17.674 0.893 -8.508 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -16.096 1.529 -7.984 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -15.040 1.998 -10.840 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -14.070 1.220 -9.566 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -14.335 0.387 -11.117 1.00 0.00 H new ATOM 263 N TYR A 17 -13.452 -1.013 -8.287 1.00 0.00 N ATOM 264 CA TYR A 17 -12.403 -0.889 -7.293 1.00 0.00 C ATOM 265 C TYR A 17 -11.605 0.377 -7.530 1.00 0.00 C ATOM 266 O TYR A 17 -11.148 0.635 -8.642 1.00 0.00 O ATOM 267 CB TYR A 17 -11.471 -2.106 -7.320 1.00 0.00 C ATOM 268 CG TYR A 17 -12.078 -3.360 -6.725 1.00 0.00 C ATOM 269 CD1 TYR A 17 -13.370 -3.745 -7.046 1.00 0.00 C ATOM 270 CD2 TYR A 17 -11.355 -4.162 -5.849 1.00 0.00 C ATOM 271 CE1 TYR A 17 -13.930 -4.889 -6.513 1.00 0.00 C ATOM 272 CE2 TYR A 17 -11.908 -5.310 -5.310 1.00 0.00 C ATOM 273 CZ TYR A 17 -13.197 -5.667 -5.647 1.00 0.00 C ATOM 274 OH TYR A 17 -13.757 -6.806 -5.110 1.00 0.00 O ATOM 0 H TYR A 17 -13.125 -1.300 -9.209 1.00 0.00 H new ATOM 0 HA TYR A 17 -12.873 -0.839 -6.311 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -11.184 -2.308 -8.352 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -10.558 -1.864 -6.777 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -13.950 -3.139 -7.726 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -10.345 -3.884 -5.585 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -14.939 -5.172 -6.775 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -11.334 -5.922 -4.630 1.00 0.00 H new ATOM 0 HH TYR A 17 -13.108 -7.242 -4.519 1.00 0.00 H new ATOM 284 N LEU A 18 -11.462 1.167 -6.487 1.00 0.00 N ATOM 285 CA LEU A 18 -10.671 2.385 -6.551 1.00 0.00 C ATOM 286 C LEU A 18 -9.491 2.253 -5.601 1.00 0.00 C ATOM 287 O LEU A 18 -9.660 2.274 -4.385 1.00 0.00 O ATOM 288 CB LEU A 18 -11.538 3.599 -6.179 1.00 0.00 C ATOM 289 CG LEU A 18 -11.047 4.970 -6.675 1.00 0.00 C ATOM 290 CD1 LEU A 18 -9.780 5.404 -5.952 1.00 0.00 C ATOM 291 CD2 LEU A 18 -10.824 4.936 -8.182 1.00 0.00 C ATOM 0 H LEU A 18 -11.886 0.988 -5.576 1.00 0.00 H new ATOM 0 HA LEU A 18 -10.301 2.535 -7.565 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -12.542 3.434 -6.570 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -11.622 3.639 -5.093 1.00 0.00 H new ATOM 0 HG LEU A 18 -11.819 5.706 -6.451 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -9.462 6.376 -6.328 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -9.978 5.475 -4.882 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -8.992 4.672 -6.127 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -10.477 5.912 -8.521 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -10.075 4.181 -8.422 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -11.760 4.690 -8.683 1.00 0.00 H new ATOM 303 N THR A 19 -8.305 2.124 -6.155 1.00 0.00 N ATOM 304 CA THR A 19 -7.116 1.914 -5.357 1.00 0.00 C ATOM 305 C THR A 19 -6.282 3.187 -5.298 1.00 0.00 C ATOM 306 O THR A 19 -5.694 3.603 -6.297 1.00 0.00 O ATOM 307 CB THR A 19 -6.264 0.774 -5.936 1.00 0.00 C ATOM 308 OG1 THR A 19 -7.070 -0.395 -6.130 1.00 0.00 O ATOM 309 CG2 THR A 19 -5.106 0.440 -5.015 1.00 0.00 C ATOM 0 H THR A 19 -8.138 2.161 -7.161 1.00 0.00 H new ATOM 0 HA THR A 19 -7.434 1.643 -4.350 1.00 0.00 H new ATOM 0 HB THR A 19 -5.865 1.106 -6.894 1.00 0.00 H new ATOM 0 HG1 THR A 19 -6.662 -0.964 -6.816 1.00 0.00 H new ATOM 0 HG21 THR A 19 -4.519 -0.370 -5.448 1.00 0.00 H new ATOM 0 HG22 THR A 19 -4.475 1.320 -4.891 1.00 0.00 H new ATOM 0 HG23 THR A 19 -5.491 0.130 -4.044 1.00 0.00 H new ATOM 317 N VAL A 20 -6.238 3.809 -4.136 1.00 0.00 N ATOM 318 CA VAL A 20 -5.479 5.030 -3.975 1.00 0.00 C ATOM 319 C VAL A 20 -4.186 4.755 -3.214 1.00 0.00 C ATOM 320 O VAL A 20 -4.184 4.065 -2.188 1.00 0.00 O ATOM 321 CB VAL A 20 -6.308 6.132 -3.263 1.00 0.00 C ATOM 322 CG1 VAL A 20 -6.674 5.722 -1.843 1.00 0.00 C ATOM 323 CG2 VAL A 20 -5.563 7.464 -3.275 1.00 0.00 C ATOM 0 H VAL A 20 -6.717 3.490 -3.294 1.00 0.00 H new ATOM 0 HA VAL A 20 -5.231 5.399 -4.970 1.00 0.00 H new ATOM 0 HB VAL A 20 -7.238 6.259 -3.817 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -7.254 6.516 -1.373 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -7.266 4.807 -1.870 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -5.764 5.549 -1.268 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -6.163 8.221 -2.771 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -4.610 7.353 -2.758 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -5.383 7.771 -4.305 1.00 0.00 H new ATOM 333 N ALA A 21 -3.082 5.268 -3.739 1.00 0.00 N ATOM 334 CA ALA A 21 -1.803 5.162 -3.057 1.00 0.00 C ATOM 335 C ALA A 21 -1.770 6.166 -1.920 1.00 0.00 C ATOM 336 O ALA A 21 -1.466 7.343 -2.115 1.00 0.00 O ATOM 337 CB ALA A 21 -0.647 5.395 -4.023 1.00 0.00 C ATOM 0 H ALA A 21 -3.048 5.760 -4.632 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.690 4.155 -2.656 1.00 0.00 H new ATOM 0 HB1 ALA A 21 0.298 5.310 -3.487 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -0.681 4.650 -4.818 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.730 6.392 -4.456 1.00 0.00 H new ATOM 343 N LEU A 22 -2.114 5.696 -0.735 1.00 0.00 N ATOM 344 CA LEU A 22 -2.319 6.569 0.401 1.00 0.00 C ATOM 345 C LEU A 22 -1.541 6.067 1.611 1.00 0.00 C ATOM 346 O LEU A 22 -1.945 5.114 2.274 1.00 0.00 O ATOM 347 CB LEU A 22 -3.815 6.641 0.709 1.00 0.00 C ATOM 348 CG LEU A 22 -4.249 7.748 1.663 1.00 0.00 C ATOM 349 CD1 LEU A 22 -3.774 9.098 1.153 1.00 0.00 C ATOM 350 CD2 LEU A 22 -5.763 7.738 1.809 1.00 0.00 C ATOM 0 H LEU A 22 -2.258 4.706 -0.536 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.951 7.567 0.164 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.353 6.767 -0.230 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.126 5.684 1.129 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.800 7.572 2.640 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -4.091 9.880 1.843 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.686 9.097 1.080 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -4.204 9.287 0.169 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -6.068 8.531 2.492 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -6.224 7.901 0.835 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -6.084 6.775 2.205 1.00 0.00 H new ATOM 362 N PRO A 23 -0.398 6.701 1.895 1.00 0.00 N ATOM 363 CA PRO A 23 0.479 6.295 2.996 1.00 0.00 C ATOM 364 C PRO A 23 -0.028 6.736 4.370 1.00 0.00 C ATOM 365 O PRO A 23 0.164 6.036 5.368 1.00 0.00 O ATOM 366 CB PRO A 23 1.792 6.997 2.663 1.00 0.00 C ATOM 367 CG PRO A 23 1.392 8.218 1.907 1.00 0.00 C ATOM 368 CD PRO A 23 0.147 7.850 1.145 1.00 0.00 C ATOM 0 HA PRO A 23 0.553 5.210 3.072 1.00 0.00 H new ATOM 0 HB2 PRO A 23 2.343 7.255 3.568 1.00 0.00 H new ATOM 0 HB3 PRO A 23 2.442 6.357 2.066 1.00 0.00 H new ATOM 0 HG2 PRO A 23 1.202 9.051 2.584 1.00 0.00 H new ATOM 0 HG3 PRO A 23 2.185 8.533 1.229 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -0.561 8.678 1.112 1.00 0.00 H new ATOM 0 HD3 PRO A 23 0.374 7.583 0.113 1.00 0.00 H new ATOM 376 N ASP A 24 -0.672 7.897 4.422 1.00 0.00 N ATOM 377 CA ASP A 24 -1.118 8.463 5.690 1.00 0.00 C ATOM 378 C ASP A 24 -2.234 9.478 5.468 1.00 0.00 C ATOM 379 O ASP A 24 -2.034 10.498 4.802 1.00 0.00 O ATOM 380 CB ASP A 24 0.055 9.131 6.409 1.00 0.00 C ATOM 381 CG ASP A 24 -0.263 9.460 7.851 1.00 0.00 C ATOM 382 OD1 ASP A 24 -0.800 10.553 8.119 1.00 0.00 O ATOM 383 OD2 ASP A 24 0.035 8.625 8.729 1.00 0.00 O ATOM 0 H ASP A 24 -0.896 8.463 3.604 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.505 7.653 6.308 1.00 0.00 H new ATOM 0 HB2 ASP A 24 0.923 8.472 6.373 1.00 0.00 H new ATOM 0 HB3 ASP A 24 0.327 10.046 5.882 1.00 0.00 H new ATOM 388 N ALA A 25 -3.405 9.194 6.022 1.00 0.00 N ATOM 389 CA ALA A 25 -4.561 10.062 5.848 1.00 0.00 C ATOM 390 C ALA A 25 -5.348 10.206 7.145 1.00 0.00 C ATOM 391 O ALA A 25 -4.977 9.633 8.171 1.00 0.00 O ATOM 392 CB ALA A 25 -5.459 9.531 4.745 1.00 0.00 C ATOM 0 H ALA A 25 -3.579 8.369 6.596 1.00 0.00 H new ATOM 0 HA ALA A 25 -4.197 11.050 5.565 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -6.319 10.190 4.627 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -4.901 9.491 3.809 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -5.803 8.530 5.006 1.00 0.00 H new ATOM 398 N LYS A 26 -6.435 10.970 7.074 1.00 0.00 N ATOM 399 CA LYS A 26 -7.293 11.251 8.218 1.00 0.00 C ATOM 400 C LYS A 26 -8.641 11.766 7.743 1.00 0.00 C ATOM 401 O LYS A 26 -8.709 12.497 6.751 1.00 0.00 O ATOM 402 CB LYS A 26 -6.664 12.288 9.159 1.00 0.00 C ATOM 403 CG LYS A 26 -5.741 11.695 10.208 1.00 0.00 C ATOM 404 CD LYS A 26 -6.438 10.606 11.010 1.00 0.00 C ATOM 405 CE LYS A 26 -5.601 10.157 12.195 1.00 0.00 C ATOM 406 NZ LYS A 26 -5.417 11.253 13.180 1.00 0.00 N ATOM 0 H LYS A 26 -6.747 11.415 6.211 1.00 0.00 H new ATOM 0 HA LYS A 26 -7.419 10.318 8.768 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -6.104 13.010 8.564 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -7.460 12.838 9.661 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -4.856 11.282 9.724 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -5.399 12.482 10.880 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -7.401 10.975 11.364 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -6.641 9.752 10.364 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -6.082 9.308 12.680 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -4.627 9.814 11.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -5.119 10.853 14.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -4.689 11.911 12.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -6.315 11.764 13.303 1.00 0.00 H new ATOM 420 N ASP A 27 -9.699 11.381 8.458 1.00 0.00 N ATOM 421 CA ASP A 27 -11.066 11.814 8.154 1.00 0.00 C ATOM 422 C ASP A 27 -11.372 11.700 6.671 1.00 0.00 C ATOM 423 O ASP A 27 -11.704 12.689 6.011 1.00 0.00 O ATOM 424 CB ASP A 27 -11.309 13.249 8.625 1.00 0.00 C ATOM 425 CG ASP A 27 -11.266 13.382 10.129 1.00 0.00 C ATOM 426 OD1 ASP A 27 -11.817 12.503 10.826 1.00 0.00 O ATOM 427 OD2 ASP A 27 -10.684 14.370 10.622 1.00 0.00 O ATOM 0 H ASP A 27 -9.634 10.760 9.265 1.00 0.00 H new ATOM 0 HA ASP A 27 -11.738 11.148 8.695 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -10.558 13.904 8.184 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -12.279 13.587 8.262 1.00 0.00 H new ATOM 432 N ILE A 28 -11.235 10.496 6.146 1.00 0.00 N ATOM 433 CA ILE A 28 -11.495 10.251 4.743 1.00 0.00 C ATOM 434 C ILE A 28 -12.994 10.327 4.474 1.00 0.00 C ATOM 435 O ILE A 28 -13.754 9.432 4.853 1.00 0.00 O ATOM 436 CB ILE A 28 -10.941 8.875 4.310 1.00 0.00 C ATOM 437 CG1 ILE A 28 -9.422 8.815 4.541 1.00 0.00 C ATOM 438 CG2 ILE A 28 -11.268 8.607 2.845 1.00 0.00 C ATOM 439 CD1 ILE A 28 -8.835 7.431 4.384 1.00 0.00 C ATOM 0 H ILE A 28 -10.944 9.672 6.673 1.00 0.00 H new ATOM 0 HA ILE A 28 -10.987 11.018 4.158 1.00 0.00 H new ATOM 0 HB ILE A 28 -11.415 8.103 4.916 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -8.930 9.490 3.840 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -9.202 9.181 5.544 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -10.871 7.634 2.556 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -12.349 8.614 2.706 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -10.818 9.382 2.224 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -7.760 7.469 4.562 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -9.298 6.756 5.103 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -9.023 7.069 3.373 1.00 0.00 H new ATOM 451 N SER A 29 -13.417 11.410 3.836 1.00 0.00 N ATOM 452 CA SER A 29 -14.822 11.630 3.542 1.00 0.00 C ATOM 453 C SER A 29 -15.108 11.340 2.076 1.00 0.00 C ATOM 454 O SER A 29 -14.580 12.004 1.180 1.00 0.00 O ATOM 455 CB SER A 29 -15.221 13.068 3.886 1.00 0.00 C ATOM 456 OG SER A 29 -16.569 13.330 3.524 1.00 0.00 O ATOM 0 H SER A 29 -12.800 12.154 3.511 1.00 0.00 H new ATOM 0 HA SER A 29 -15.414 10.949 4.154 1.00 0.00 H new ATOM 0 HB2 SER A 29 -15.089 13.238 4.955 1.00 0.00 H new ATOM 0 HB3 SER A 29 -14.561 13.764 3.368 1.00 0.00 H new ATOM 0 HG SER A 29 -16.796 14.254 3.757 1.00 0.00 H new ATOM 462 N VAL A 30 -15.929 10.335 1.837 1.00 0.00 N ATOM 463 CA VAL A 30 -16.313 9.970 0.488 1.00 0.00 C ATOM 464 C VAL A 30 -17.746 10.405 0.233 1.00 0.00 C ATOM 465 O VAL A 30 -18.666 9.944 0.904 1.00 0.00 O ATOM 466 CB VAL A 30 -16.193 8.447 0.259 1.00 0.00 C ATOM 467 CG1 VAL A 30 -16.472 8.094 -1.197 1.00 0.00 C ATOM 468 CG2 VAL A 30 -14.820 7.942 0.682 1.00 0.00 C ATOM 0 H VAL A 30 -16.345 9.754 2.565 1.00 0.00 H new ATOM 0 HA VAL A 30 -15.637 10.474 -0.203 1.00 0.00 H new ATOM 0 HB VAL A 30 -16.942 7.953 0.878 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -16.382 7.016 -1.334 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -17.481 8.410 -1.461 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -15.753 8.603 -1.839 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -14.759 6.867 0.511 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -14.051 8.446 0.097 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -14.666 8.151 1.741 1.00 0.00 H new ATOM 478 N LYS A 31 -17.936 11.316 -0.707 1.00 0.00 N ATOM 479 CA LYS A 31 -19.271 11.744 -1.078 1.00 0.00 C ATOM 480 C LYS A 31 -19.527 11.388 -2.529 1.00 0.00 C ATOM 481 O LYS A 31 -18.846 11.900 -3.416 1.00 0.00 O ATOM 482 CB LYS A 31 -19.446 13.248 -0.860 1.00 0.00 C ATOM 483 CG LYS A 31 -19.178 13.689 0.570 1.00 0.00 C ATOM 484 CD LYS A 31 -19.549 15.147 0.783 1.00 0.00 C ATOM 485 CE LYS A 31 -19.214 15.606 2.193 1.00 0.00 C ATOM 486 NZ LYS A 31 -19.774 16.952 2.479 1.00 0.00 N ATOM 0 H LYS A 31 -17.184 11.771 -1.225 1.00 0.00 H new ATOM 0 HA LYS A 31 -19.994 11.230 -0.444 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -18.774 13.785 -1.529 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -20.462 13.531 -1.135 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -19.748 13.064 1.257 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -18.124 13.543 0.805 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -19.018 15.768 0.061 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -20.615 15.283 0.598 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -19.607 14.888 2.913 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -18.132 15.627 2.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -19.526 17.232 3.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -19.380 17.642 1.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -20.809 16.925 2.381 1.00 0.00 H new ATOM 500 N CYS A 32 -20.476 10.481 -2.758 1.00 0.00 N ATOM 501 CA CYS A 32 -20.818 10.026 -4.104 1.00 0.00 C ATOM 502 C CYS A 32 -22.320 10.186 -4.374 1.00 0.00 C ATOM 503 O CYS A 32 -23.137 9.943 -3.486 1.00 0.00 O ATOM 504 CB CYS A 32 -20.413 8.560 -4.275 1.00 0.00 C ATOM 505 SG CYS A 32 -18.646 8.258 -4.051 1.00 0.00 S ATOM 0 H CYS A 32 -21.027 10.043 -2.019 1.00 0.00 H new ATOM 0 HA CYS A 32 -20.274 10.640 -4.821 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -20.969 7.954 -3.560 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -20.705 8.226 -5.271 1.00 0.00 H new ATOM 0 HG CYS A 32 -18.398 6.992 -4.212 1.00 0.00 H new ATOM 511 N GLU A 33 -22.680 10.612 -5.586 1.00 0.00 N ATOM 512 CA GLU A 33 -24.072 10.619 -6.000 1.00 0.00 C ATOM 513 C GLU A 33 -24.322 9.408 -6.881 1.00 0.00 C ATOM 514 O GLU A 33 -23.368 8.773 -7.326 1.00 0.00 O ATOM 515 CB GLU A 33 -24.412 11.910 -6.751 1.00 0.00 C ATOM 516 CG GLU A 33 -24.655 13.098 -5.839 1.00 0.00 C ATOM 517 CD GLU A 33 -25.863 12.910 -4.945 1.00 0.00 C ATOM 518 OE1 GLU A 33 -25.708 12.365 -3.836 1.00 0.00 O ATOM 519 OE2 GLU A 33 -26.974 13.315 -5.348 1.00 0.00 O ATOM 0 H GLU A 33 -22.026 10.954 -6.290 1.00 0.00 H new ATOM 0 HA GLU A 33 -24.713 10.574 -5.120 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -23.597 12.148 -7.434 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -25.300 11.743 -7.360 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -23.773 13.263 -5.221 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -24.792 13.994 -6.445 1.00 0.00 H new ATOM 526 N PRO A 34 -25.595 9.055 -7.131 1.00 0.00 N ATOM 527 CA PRO A 34 -25.952 7.930 -8.010 1.00 0.00 C ATOM 528 C PRO A 34 -25.316 8.016 -9.401 1.00 0.00 C ATOM 529 O PRO A 34 -25.365 7.059 -10.166 1.00 0.00 O ATOM 530 CB PRO A 34 -27.474 8.034 -8.118 1.00 0.00 C ATOM 531 CG PRO A 34 -27.891 8.729 -6.870 1.00 0.00 C ATOM 532 CD PRO A 34 -26.790 9.698 -6.554 1.00 0.00 C ATOM 0 HA PRO A 34 -25.593 6.984 -7.604 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -27.771 8.596 -9.003 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -27.934 7.049 -8.196 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -28.840 9.247 -7.009 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -28.032 8.019 -6.055 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -26.975 10.676 -6.999 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -26.685 9.851 -5.480 1.00 0.00 H new ATOM 540 N GLN A 35 -24.722 9.160 -9.722 1.00 0.00 N ATOM 541 CA GLN A 35 -24.039 9.333 -10.994 1.00 0.00 C ATOM 542 C GLN A 35 -22.660 9.966 -10.803 1.00 0.00 C ATOM 543 O GLN A 35 -22.002 10.345 -11.769 1.00 0.00 O ATOM 544 CB GLN A 35 -24.882 10.183 -11.949 1.00 0.00 C ATOM 545 CG GLN A 35 -25.248 11.557 -11.403 1.00 0.00 C ATOM 546 CD GLN A 35 -26.020 12.387 -12.408 1.00 0.00 C ATOM 547 OE1 GLN A 35 -26.750 11.851 -13.246 1.00 0.00 O ATOM 548 NE2 GLN A 35 -25.873 13.697 -12.327 1.00 0.00 N ATOM 0 H GLN A 35 -24.701 9.981 -9.117 1.00 0.00 H new ATOM 0 HA GLN A 35 -23.901 8.344 -11.431 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -24.336 10.309 -12.884 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -25.798 9.643 -12.186 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -25.844 11.439 -10.498 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -24.339 12.087 -11.119 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -25.259 14.098 -11.618 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -26.374 14.307 -12.973 1.00 0.00 H new ATOM 557 N GLY A 36 -22.214 10.084 -9.559 1.00 0.00 N ATOM 558 CA GLY A 36 -20.889 10.607 -9.321 1.00 0.00 C ATOM 559 C GLY A 36 -20.859 11.719 -8.298 1.00 0.00 C ATOM 560 O GLY A 36 -21.782 12.519 -8.210 1.00 0.00 O ATOM 0 H GLY A 36 -22.740 9.830 -8.723 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -20.241 9.797 -8.986 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -20.478 10.976 -10.261 1.00 0.00 H new ATOM 564 N LEU A 37 -19.864 11.674 -7.440 1.00 0.00 N ATOM 565 CA LEU A 37 -19.537 12.775 -6.546 1.00 0.00 C ATOM 566 C LEU A 37 -18.072 12.657 -6.119 1.00 0.00 C ATOM 567 O LEU A 37 -17.378 11.728 -6.534 1.00 0.00 O ATOM 568 CB LEU A 37 -20.489 12.897 -5.360 1.00 0.00 C ATOM 569 CG LEU A 37 -21.336 14.176 -5.315 1.00 0.00 C ATOM 570 CD1 LEU A 37 -22.023 14.309 -3.966 1.00 0.00 C ATOM 571 CD2 LEU A 37 -20.489 15.407 -5.596 1.00 0.00 C ATOM 0 H LEU A 37 -19.250 10.866 -7.338 1.00 0.00 H new ATOM 0 HA LEU A 37 -19.671 13.708 -7.093 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -21.161 12.039 -5.367 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -19.905 12.837 -4.441 1.00 0.00 H new ATOM 0 HG LEU A 37 -22.095 14.102 -6.094 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -22.620 15.221 -3.950 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -22.671 13.448 -3.801 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -21.271 14.353 -3.178 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -21.117 16.297 -5.557 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -19.701 15.486 -4.847 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -20.041 15.322 -6.586 1.00 0.00 H new ATOM 583 N PHE A 38 -17.599 13.589 -5.305 1.00 0.00 N ATOM 584 CA PHE A 38 -16.168 13.711 -5.043 1.00 0.00 C ATOM 585 C PHE A 38 -15.829 13.313 -3.606 1.00 0.00 C ATOM 586 O PHE A 38 -16.657 13.418 -2.700 1.00 0.00 O ATOM 587 CB PHE A 38 -15.680 15.140 -5.323 1.00 0.00 C ATOM 588 CG PHE A 38 -16.197 16.177 -4.364 1.00 0.00 C ATOM 589 CD1 PHE A 38 -17.438 16.759 -4.552 1.00 0.00 C ATOM 590 CD2 PHE A 38 -15.434 16.572 -3.275 1.00 0.00 C ATOM 591 CE1 PHE A 38 -17.914 17.713 -3.673 1.00 0.00 C ATOM 592 CE2 PHE A 38 -15.902 17.526 -2.392 1.00 0.00 C ATOM 593 CZ PHE A 38 -17.144 18.097 -2.591 1.00 0.00 C ATOM 0 H PHE A 38 -18.180 14.270 -4.815 1.00 0.00 H new ATOM 0 HA PHE A 38 -15.654 13.026 -5.717 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -14.590 15.150 -5.296 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -15.976 15.419 -6.334 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -18.043 16.464 -5.397 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -14.462 16.128 -3.115 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -18.885 18.158 -3.831 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -15.298 17.825 -1.548 1.00 0.00 H new ATOM 0 HZ PHE A 38 -17.513 18.842 -1.902 1.00 0.00 H new ATOM 603 N SER A 39 -14.604 12.861 -3.405 1.00 0.00 N ATOM 604 CA SER A 39 -14.134 12.501 -2.082 1.00 0.00 C ATOM 605 C SER A 39 -13.086 13.508 -1.619 1.00 0.00 C ATOM 606 O SER A 39 -12.296 14.003 -2.424 1.00 0.00 O ATOM 607 CB SER A 39 -13.556 11.083 -2.096 1.00 0.00 C ATOM 608 OG SER A 39 -13.237 10.641 -0.786 1.00 0.00 O ATOM 0 H SER A 39 -13.915 12.735 -4.146 1.00 0.00 H new ATOM 0 HA SER A 39 -14.970 12.521 -1.383 1.00 0.00 H new ATOM 0 HB2 SER A 39 -14.275 10.400 -2.547 1.00 0.00 H new ATOM 0 HB3 SER A 39 -12.661 11.059 -2.718 1.00 0.00 H new ATOM 0 HG SER A 39 -13.643 11.244 -0.129 1.00 0.00 H new ATOM 614 N PHE A 40 -13.096 13.817 -0.330 1.00 0.00 N ATOM 615 CA PHE A 40 -12.190 14.808 0.230 1.00 0.00 C ATOM 616 C PHE A 40 -11.571 14.281 1.518 1.00 0.00 C ATOM 617 O PHE A 40 -12.267 14.042 2.509 1.00 0.00 O ATOM 618 CB PHE A 40 -12.946 16.113 0.491 1.00 0.00 C ATOM 619 CG PHE A 40 -12.064 17.273 0.855 1.00 0.00 C ATOM 620 CD1 PHE A 40 -11.367 17.963 -0.124 1.00 0.00 C ATOM 621 CD2 PHE A 40 -11.936 17.679 2.175 1.00 0.00 C ATOM 622 CE1 PHE A 40 -10.560 19.035 0.204 1.00 0.00 C ATOM 623 CE2 PHE A 40 -11.130 18.750 2.509 1.00 0.00 C ATOM 624 CZ PHE A 40 -10.441 19.429 1.522 1.00 0.00 C ATOM 0 H PHE A 40 -13.726 13.392 0.351 1.00 0.00 H new ATOM 0 HA PHE A 40 -11.389 15.005 -0.482 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -13.519 16.372 -0.399 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -13.663 15.950 1.295 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -11.456 17.659 -1.156 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -12.472 17.152 2.950 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -10.023 19.564 -0.569 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -11.038 19.056 3.541 1.00 0.00 H new ATOM 0 HZ PHE A 40 -9.810 20.267 1.781 1.00 0.00 H new ATOM 634 N SER A 41 -10.265 14.083 1.497 1.00 0.00 N ATOM 635 CA SER A 41 -9.561 13.516 2.634 1.00 0.00 C ATOM 636 C SER A 41 -8.344 14.359 3.003 1.00 0.00 C ATOM 637 O SER A 41 -7.894 15.199 2.224 1.00 0.00 O ATOM 638 CB SER A 41 -9.145 12.078 2.320 1.00 0.00 C ATOM 639 OG SER A 41 -8.437 11.494 3.400 1.00 0.00 O ATOM 0 H SER A 41 -9.668 14.308 0.701 1.00 0.00 H new ATOM 0 HA SER A 41 -10.233 13.513 3.492 1.00 0.00 H new ATOM 0 HB2 SER A 41 -10.031 11.482 2.100 1.00 0.00 H new ATOM 0 HB3 SER A 41 -8.522 12.066 1.426 1.00 0.00 H new ATOM 0 HG SER A 41 -7.541 11.232 3.101 1.00 0.00 H new ATOM 645 N ALA A 42 -7.825 14.138 4.202 1.00 0.00 N ATOM 646 CA ALA A 42 -6.654 14.852 4.669 1.00 0.00 C ATOM 647 C ALA A 42 -5.431 13.952 4.618 1.00 0.00 C ATOM 648 O ALA A 42 -5.501 12.776 4.972 1.00 0.00 O ATOM 649 CB ALA A 42 -6.870 15.363 6.084 1.00 0.00 C ATOM 0 H ALA A 42 -8.202 13.465 4.870 1.00 0.00 H new ATOM 0 HA ALA A 42 -6.488 15.706 4.013 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -5.980 15.897 6.418 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -7.726 16.038 6.100 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -7.059 14.521 6.750 1.00 0.00 H new ATOM 655 N LEU A 43 -4.330 14.501 4.145 1.00 0.00 N ATOM 656 CA LEU A 43 -3.064 13.795 4.118 1.00 0.00 C ATOM 657 C LEU A 43 -2.246 14.178 5.333 1.00 0.00 C ATOM 658 O LEU A 43 -1.727 15.293 5.412 1.00 0.00 O ATOM 659 CB LEU A 43 -2.265 14.149 2.869 1.00 0.00 C ATOM 660 CG LEU A 43 -3.003 13.986 1.542 1.00 0.00 C ATOM 661 CD1 LEU A 43 -2.180 14.572 0.404 1.00 0.00 C ATOM 662 CD2 LEU A 43 -3.303 12.518 1.281 1.00 0.00 C ATOM 0 H LEU A 43 -4.287 15.448 3.769 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.274 12.725 4.116 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.933 15.184 2.954 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.370 13.528 2.844 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.948 14.527 1.600 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.719 14.449 -0.536 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.009 15.633 0.587 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.222 14.055 0.344 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -3.829 12.417 0.332 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -2.369 11.958 1.239 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.926 12.125 2.085 1.00 0.00 H new ATOM 674 N GLY A 44 -2.114 13.252 6.258 1.00 0.00 N ATOM 675 CA GLY A 44 -1.410 13.530 7.495 1.00 0.00 C ATOM 676 C GLY A 44 0.078 13.679 7.279 1.00 0.00 C ATOM 677 O GLY A 44 0.736 14.478 7.942 1.00 0.00 O ATOM 0 H GLY A 44 -2.482 12.304 6.180 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -1.805 14.444 7.939 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -1.594 12.724 8.206 1.00 0.00 H new ATOM 681 N ALA A 45 0.604 12.919 6.328 1.00 0.00 N ATOM 682 CA ALA A 45 2.028 12.945 6.023 1.00 0.00 C ATOM 683 C ALA A 45 2.448 14.277 5.412 1.00 0.00 C ATOM 684 O ALA A 45 3.509 14.811 5.733 1.00 0.00 O ATOM 685 CB ALA A 45 2.384 11.799 5.088 1.00 0.00 C ATOM 0 H ALA A 45 0.063 12.274 5.752 1.00 0.00 H new ATOM 0 HA ALA A 45 2.572 12.826 6.960 1.00 0.00 H new ATOM 0 HB1 ALA A 45 3.451 11.828 4.867 1.00 0.00 H new ATOM 0 HB2 ALA A 45 2.138 10.850 5.565 1.00 0.00 H new ATOM 0 HB3 ALA A 45 1.818 11.896 4.161 1.00 0.00 H new ATOM 691 N GLN A 46 1.602 14.823 4.550 1.00 0.00 N ATOM 692 CA GLN A 46 1.946 16.033 3.811 1.00 0.00 C ATOM 693 C GLN A 46 1.321 17.277 4.440 1.00 0.00 C ATOM 694 O GLN A 46 1.659 18.403 4.069 1.00 0.00 O ATOM 695 CB GLN A 46 1.489 15.911 2.356 1.00 0.00 C ATOM 696 CG GLN A 46 2.158 14.778 1.591 1.00 0.00 C ATOM 697 CD GLN A 46 3.661 14.961 1.460 1.00 0.00 C ATOM 698 OE1 GLN A 46 4.164 16.086 1.443 1.00 0.00 O ATOM 699 NE2 GLN A 46 4.382 13.859 1.354 1.00 0.00 N ATOM 0 H GLN A 46 0.675 14.450 4.344 1.00 0.00 H new ATOM 0 HA GLN A 46 3.030 16.142 3.849 1.00 0.00 H new ATOM 0 HB2 GLN A 46 0.409 15.762 2.336 1.00 0.00 H new ATOM 0 HB3 GLN A 46 1.690 16.851 1.842 1.00 0.00 H new ATOM 0 HG2 GLN A 46 1.955 13.834 2.097 1.00 0.00 H new ATOM 0 HG3 GLN A 46 1.717 14.708 0.597 1.00 0.00 H new ATOM 0 HE21 GLN A 46 3.925 12.947 1.373 1.00 0.00 H new ATOM 0 HE22 GLN A 46 5.395 13.920 1.253 1.00 0.00 H new ATOM 708 N GLY A 47 0.405 17.074 5.383 1.00 0.00 N ATOM 709 CA GLY A 47 -0.305 18.196 5.980 1.00 0.00 C ATOM 710 C GLY A 47 -1.188 18.893 4.965 1.00 0.00 C ATOM 711 O GLY A 47 -1.470 20.090 5.077 1.00 0.00 O ATOM 0 H GLY A 47 0.141 16.157 5.744 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -0.914 17.842 6.812 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.413 18.907 6.389 1.00 0.00 H new ATOM 715 N GLU A 48 -1.610 18.134 3.969 1.00 0.00 N ATOM 716 CA GLU A 48 -2.344 18.663 2.828 1.00 0.00 C ATOM 717 C GLU A 48 -3.728 18.041 2.771 1.00 0.00 C ATOM 718 O GLU A 48 -3.967 17.009 3.374 1.00 0.00 O ATOM 719 CB GLU A 48 -1.563 18.356 1.540 1.00 0.00 C ATOM 720 CG GLU A 48 -2.264 18.776 0.254 1.00 0.00 C ATOM 721 CD GLU A 48 -2.497 20.269 0.160 1.00 0.00 C ATOM 722 OE1 GLU A 48 -3.545 20.745 0.646 1.00 0.00 O ATOM 723 OE2 GLU A 48 -1.635 20.966 -0.411 1.00 0.00 O ATOM 0 H GLU A 48 -1.453 17.127 3.927 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.456 19.742 2.930 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -0.596 18.856 1.590 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.366 17.285 1.497 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -1.667 18.454 -0.599 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -3.222 18.261 0.185 1.00 0.00 H new ATOM 730 N ARG A 49 -4.642 18.674 2.064 1.00 0.00 N ATOM 731 CA ARG A 49 -5.944 18.087 1.807 1.00 0.00 C ATOM 732 C ARG A 49 -5.972 17.556 0.379 1.00 0.00 C ATOM 733 O ARG A 49 -5.613 18.269 -0.556 1.00 0.00 O ATOM 734 CB ARG A 49 -7.050 19.128 2.011 1.00 0.00 C ATOM 735 CG ARG A 49 -7.118 19.675 3.426 1.00 0.00 C ATOM 736 CD ARG A 49 -7.600 18.622 4.410 1.00 0.00 C ATOM 737 NE ARG A 49 -7.476 19.073 5.795 1.00 0.00 N ATOM 738 CZ ARG A 49 -8.239 18.636 6.796 1.00 0.00 C ATOM 739 NH1 ARG A 49 -9.246 17.800 6.560 1.00 0.00 N ATOM 740 NH2 ARG A 49 -8.004 19.048 8.033 1.00 0.00 N ATOM 0 H ARG A 49 -4.508 19.599 1.655 1.00 0.00 H new ATOM 0 HA ARG A 49 -6.119 17.268 2.505 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -6.891 19.955 1.318 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -8.011 18.679 1.757 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -6.133 20.031 3.727 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -7.789 20.533 3.453 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -8.641 18.378 4.199 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -7.024 17.707 4.273 1.00 0.00 H new ATOM 0 HE ARG A 49 -6.759 19.767 6.009 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -9.438 17.489 5.608 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -9.826 17.470 7.331 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -7.240 19.698 8.217 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -8.587 18.715 8.801 1.00 0.00 H new ATOM 754 N PHE A 50 -6.382 16.311 0.204 1.00 0.00 N ATOM 755 CA PHE A 50 -6.384 15.709 -1.118 1.00 0.00 C ATOM 756 C PHE A 50 -7.807 15.389 -1.547 1.00 0.00 C ATOM 757 O PHE A 50 -8.644 15.011 -0.722 1.00 0.00 O ATOM 758 CB PHE A 50 -5.481 14.463 -1.147 1.00 0.00 C ATOM 759 CG PHE A 50 -6.192 13.132 -1.172 1.00 0.00 C ATOM 760 CD1 PHE A 50 -6.580 12.559 -2.374 1.00 0.00 C ATOM 761 CD2 PHE A 50 -6.454 12.446 0.002 1.00 0.00 C ATOM 762 CE1 PHE A 50 -7.209 11.331 -2.403 1.00 0.00 C ATOM 763 CE2 PHE A 50 -7.085 11.217 -0.024 1.00 0.00 C ATOM 764 CZ PHE A 50 -7.465 10.659 -1.227 1.00 0.00 C ATOM 0 H PHE A 50 -6.715 15.703 0.952 1.00 0.00 H new ATOM 0 HA PHE A 50 -5.975 16.421 -1.834 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -4.837 14.525 -2.024 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -4.831 14.489 -0.272 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -6.387 13.081 -3.300 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -6.162 12.876 0.949 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -7.501 10.896 -3.348 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -7.281 10.692 0.899 1.00 0.00 H new ATOM 0 HZ PHE A 50 -7.961 9.700 -1.247 1.00 0.00 H new ATOM 774 N GLU A 51 -8.081 15.554 -2.829 1.00 0.00 N ATOM 775 CA GLU A 51 -9.420 15.327 -3.345 1.00 0.00 C ATOM 776 C GLU A 51 -9.384 14.535 -4.642 1.00 0.00 C ATOM 777 O GLU A 51 -8.330 14.388 -5.261 1.00 0.00 O ATOM 778 CB GLU A 51 -10.149 16.670 -3.540 1.00 0.00 C ATOM 779 CG GLU A 51 -9.410 17.676 -4.423 1.00 0.00 C ATOM 780 CD GLU A 51 -9.667 17.493 -5.909 1.00 0.00 C ATOM 781 OE1 GLU A 51 -10.796 17.788 -6.360 1.00 0.00 O ATOM 782 OE2 GLU A 51 -8.736 17.089 -6.639 1.00 0.00 O ATOM 0 H GLU A 51 -7.398 15.843 -3.529 1.00 0.00 H new ATOM 0 HA GLU A 51 -9.972 14.735 -2.615 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -11.129 16.476 -3.976 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -10.319 17.121 -2.562 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -9.706 18.685 -4.134 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -8.339 17.592 -4.236 1.00 0.00 H new ATOM 789 N PHE A 52 -10.534 13.999 -5.013 1.00 0.00 N ATOM 790 CA PHE A 52 -10.715 13.356 -6.303 1.00 0.00 C ATOM 791 C PHE A 52 -12.201 13.185 -6.568 1.00 0.00 C ATOM 792 O PHE A 52 -12.967 12.824 -5.670 1.00 0.00 O ATOM 793 CB PHE A 52 -9.978 12.006 -6.386 1.00 0.00 C ATOM 794 CG PHE A 52 -10.475 10.940 -5.445 1.00 0.00 C ATOM 795 CD1 PHE A 52 -10.057 10.906 -4.124 1.00 0.00 C ATOM 796 CD2 PHE A 52 -11.343 9.957 -5.893 1.00 0.00 C ATOM 797 CE1 PHE A 52 -10.497 9.916 -3.269 1.00 0.00 C ATOM 798 CE2 PHE A 52 -11.791 8.966 -5.041 1.00 0.00 C ATOM 799 CZ PHE A 52 -11.366 8.944 -3.728 1.00 0.00 C ATOM 0 H PHE A 52 -11.369 13.997 -4.428 1.00 0.00 H new ATOM 0 HA PHE A 52 -10.278 13.993 -7.072 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -10.056 11.631 -7.407 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -8.920 12.176 -6.189 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -9.379 11.663 -3.759 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -11.673 9.966 -6.921 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -10.163 9.901 -2.242 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -12.473 8.210 -5.402 1.00 0.00 H new ATOM 0 HZ PHE A 52 -11.712 8.169 -3.060 1.00 0.00 H new ATOM 809 N SER A 53 -12.618 13.484 -7.783 1.00 0.00 N ATOM 810 CA SER A 53 -14.025 13.436 -8.128 1.00 0.00 C ATOM 811 C SER A 53 -14.329 12.236 -9.012 1.00 0.00 C ATOM 812 O SER A 53 -13.766 12.087 -10.096 1.00 0.00 O ATOM 813 CB SER A 53 -14.428 14.730 -8.833 1.00 0.00 C ATOM 814 OG SER A 53 -14.045 15.859 -8.061 1.00 0.00 O ATOM 0 H SER A 53 -12.003 13.763 -8.547 1.00 0.00 H new ATOM 0 HA SER A 53 -14.603 13.332 -7.210 1.00 0.00 H new ATOM 0 HB2 SER A 53 -13.957 14.777 -9.815 1.00 0.00 H new ATOM 0 HB3 SER A 53 -15.506 14.742 -8.995 1.00 0.00 H new ATOM 0 HG SER A 53 -14.309 16.679 -8.528 1.00 0.00 H new ATOM 820 N LEU A 54 -15.217 11.380 -8.540 1.00 0.00 N ATOM 821 CA LEU A 54 -15.629 10.222 -9.311 1.00 0.00 C ATOM 822 C LEU A 54 -16.969 10.495 -9.971 1.00 0.00 C ATOM 823 O LEU A 54 -18.019 10.315 -9.358 1.00 0.00 O ATOM 824 CB LEU A 54 -15.717 8.976 -8.424 1.00 0.00 C ATOM 825 CG LEU A 54 -14.394 8.510 -7.810 1.00 0.00 C ATOM 826 CD1 LEU A 54 -14.628 7.331 -6.877 1.00 0.00 C ATOM 827 CD2 LEU A 54 -13.401 8.133 -8.901 1.00 0.00 C ATOM 0 H LEU A 54 -15.666 11.465 -7.628 1.00 0.00 H new ATOM 0 HA LEU A 54 -14.881 10.034 -10.081 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -16.422 9.175 -7.617 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -16.131 8.159 -9.015 1.00 0.00 H new ATOM 0 HG LEU A 54 -13.975 9.333 -7.232 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -13.678 7.012 -6.449 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -15.305 7.629 -6.076 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -15.069 6.506 -7.437 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -12.467 7.804 -8.445 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -13.814 7.325 -9.505 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -13.210 8.999 -9.535 1.00 0.00 H new ATOM 839 N GLU A 55 -16.923 10.974 -11.208 1.00 0.00 N ATOM 840 CA GLU A 55 -18.131 11.211 -11.983 1.00 0.00 C ATOM 841 C GLU A 55 -18.359 10.050 -12.937 1.00 0.00 C ATOM 842 O GLU A 55 -17.507 9.749 -13.775 1.00 0.00 O ATOM 843 CB GLU A 55 -18.032 12.520 -12.769 1.00 0.00 C ATOM 844 CG GLU A 55 -17.818 13.747 -11.894 1.00 0.00 C ATOM 845 CD GLU A 55 -17.866 15.040 -12.683 1.00 0.00 C ATOM 846 OE1 GLU A 55 -16.809 15.479 -13.180 1.00 0.00 O ATOM 847 OE2 GLU A 55 -18.971 15.617 -12.820 1.00 0.00 O ATOM 0 H GLU A 55 -16.058 11.206 -11.696 1.00 0.00 H new ATOM 0 HA GLU A 55 -18.973 11.292 -11.295 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -17.210 12.445 -13.480 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -18.945 12.654 -13.350 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -18.581 13.772 -11.116 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -16.854 13.667 -11.392 1.00 0.00 H new ATOM 854 N LEU A 56 -19.504 9.405 -12.811 1.00 0.00 N ATOM 855 CA LEU A 56 -19.799 8.221 -13.602 1.00 0.00 C ATOM 856 C LEU A 56 -20.916 8.516 -14.591 1.00 0.00 C ATOM 857 O LEU A 56 -21.634 9.506 -14.450 1.00 0.00 O ATOM 858 CB LEU A 56 -20.173 7.031 -12.710 1.00 0.00 C ATOM 859 CG LEU A 56 -19.076 6.531 -11.750 1.00 0.00 C ATOM 860 CD1 LEU A 56 -17.727 6.445 -12.451 1.00 0.00 C ATOM 861 CD2 LEU A 56 -18.984 7.411 -10.510 1.00 0.00 C ATOM 0 H LEU A 56 -20.247 9.680 -12.168 1.00 0.00 H new ATOM 0 HA LEU A 56 -18.899 7.951 -14.154 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -21.046 7.307 -12.119 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -20.471 6.202 -13.352 1.00 0.00 H new ATOM 0 HG LEU A 56 -19.354 5.527 -11.430 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -16.974 6.089 -11.748 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -17.796 5.752 -13.290 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -17.444 7.432 -12.818 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -18.201 7.032 -9.852 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -18.747 8.433 -10.806 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -19.938 7.398 -9.983 1.00 0.00 H new ATOM 873 N TYR A 57 -21.040 7.678 -15.601 1.00 0.00 N ATOM 874 CA TYR A 57 -21.997 7.920 -16.665 1.00 0.00 C ATOM 875 C TYR A 57 -23.419 7.508 -16.270 1.00 0.00 C ATOM 876 O TYR A 57 -24.368 8.280 -16.449 1.00 0.00 O ATOM 877 CB TYR A 57 -21.570 7.194 -17.941 1.00 0.00 C ATOM 878 CG TYR A 57 -22.172 7.797 -19.188 1.00 0.00 C ATOM 879 CD1 TYR A 57 -21.595 8.911 -19.781 1.00 0.00 C ATOM 880 CD2 TYR A 57 -23.318 7.265 -19.763 1.00 0.00 C ATOM 881 CE1 TYR A 57 -22.144 9.482 -20.909 1.00 0.00 C ATOM 882 CE2 TYR A 57 -23.873 7.830 -20.895 1.00 0.00 C ATOM 883 CZ TYR A 57 -23.281 8.938 -21.463 1.00 0.00 C ATOM 884 OH TYR A 57 -23.831 9.513 -22.587 1.00 0.00 O ATOM 0 H TYR A 57 -20.492 6.825 -15.708 1.00 0.00 H new ATOM 0 HA TYR A 57 -22.010 8.994 -16.849 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -20.483 7.217 -18.020 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -21.862 6.146 -17.872 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -20.701 9.338 -19.351 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -23.782 6.397 -19.319 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -21.685 10.351 -21.356 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -24.765 7.406 -21.332 1.00 0.00 H new ATOM 0 HH TYR A 57 -24.629 9.011 -22.854 1.00 0.00 H new ATOM 894 N GLY A 58 -23.565 6.299 -15.742 1.00 0.00 N ATOM 895 CA GLY A 58 -24.889 5.775 -15.458 1.00 0.00 C ATOM 896 C GLY A 58 -25.279 5.858 -13.992 1.00 0.00 C ATOM 897 O GLY A 58 -25.472 6.947 -13.449 1.00 0.00 O ATOM 0 H GLY A 58 -22.794 5.674 -15.506 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -25.621 6.323 -16.051 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -24.934 4.734 -15.778 1.00 0.00 H new ATOM 901 N LYS A 59 -25.412 4.693 -13.360 1.00 0.00 N ATOM 902 CA LYS A 59 -25.892 4.602 -11.983 1.00 0.00 C ATOM 903 C LYS A 59 -24.883 3.906 -11.075 1.00 0.00 C ATOM 904 O LYS A 59 -24.266 2.907 -11.457 1.00 0.00 O ATOM 905 CB LYS A 59 -27.205 3.821 -11.910 1.00 0.00 C ATOM 906 CG LYS A 59 -28.382 4.470 -12.613 1.00 0.00 C ATOM 907 CD LYS A 59 -29.645 3.666 -12.366 1.00 0.00 C ATOM 908 CE LYS A 59 -30.845 4.255 -13.075 1.00 0.00 C ATOM 909 NZ LYS A 59 -32.077 3.478 -12.791 1.00 0.00 N ATOM 0 H LYS A 59 -25.192 3.792 -13.785 1.00 0.00 H new ATOM 0 HA LYS A 59 -26.041 5.627 -11.644 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -27.046 2.832 -12.340 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -27.464 3.674 -10.861 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -28.514 5.490 -12.251 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -28.186 4.534 -13.683 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -29.493 2.641 -12.703 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -29.843 3.623 -11.295 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -30.984 5.289 -12.760 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -30.663 4.271 -14.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -32.881 3.907 -13.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -31.951 2.498 -13.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -32.263 3.484 -11.768 1.00 0.00 H new ATOM 923 N ILE A 60 -24.737 4.428 -9.868 1.00 0.00 N ATOM 924 CA ILE A 60 -23.902 3.808 -8.854 1.00 0.00 C ATOM 925 C ILE A 60 -24.776 3.270 -7.731 1.00 0.00 C ATOM 926 O ILE A 60 -25.857 3.799 -7.469 1.00 0.00 O ATOM 927 CB ILE A 60 -22.889 4.812 -8.259 1.00 0.00 C ATOM 928 CG1 ILE A 60 -22.201 5.602 -9.370 1.00 0.00 C ATOM 929 CG2 ILE A 60 -21.852 4.101 -7.402 1.00 0.00 C ATOM 930 CD1 ILE A 60 -21.497 4.726 -10.390 1.00 0.00 C ATOM 0 H ILE A 60 -25.192 5.289 -9.565 1.00 0.00 H new ATOM 0 HA ILE A 60 -23.349 2.998 -9.330 1.00 0.00 H new ATOM 0 HB ILE A 60 -23.440 5.505 -7.624 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -22.943 6.216 -9.881 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -21.475 6.283 -8.925 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -21.152 4.832 -6.996 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -22.350 3.582 -6.583 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -21.309 3.379 -8.012 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -21.031 5.354 -11.149 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -20.732 4.131 -9.892 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -22.222 4.063 -10.863 1.00 0.00 H new ATOM 942 N MET A 61 -24.304 2.235 -7.070 1.00 0.00 N ATOM 943 CA MET A 61 -25.041 1.632 -5.976 1.00 0.00 C ATOM 944 C MET A 61 -24.427 2.092 -4.659 1.00 0.00 C ATOM 945 O MET A 61 -23.627 1.391 -4.040 1.00 0.00 O ATOM 946 CB MET A 61 -25.029 0.105 -6.101 1.00 0.00 C ATOM 947 CG MET A 61 -26.073 -0.594 -5.251 1.00 0.00 C ATOM 948 SD MET A 61 -26.062 -2.383 -5.475 1.00 0.00 S ATOM 949 CE MET A 61 -26.431 -2.512 -7.222 1.00 0.00 C ATOM 0 H MET A 61 -23.408 1.790 -7.271 1.00 0.00 H new ATOM 0 HA MET A 61 -26.084 1.949 -6.008 1.00 0.00 H new ATOM 0 HB2 MET A 61 -25.186 -0.165 -7.145 1.00 0.00 H new ATOM 0 HB3 MET A 61 -24.042 -0.264 -5.822 1.00 0.00 H new ATOM 0 HG2 MET A 61 -25.897 -0.362 -4.201 1.00 0.00 H new ATOM 0 HG3 MET A 61 -27.060 -0.206 -5.502 1.00 0.00 H new ATOM 0 HE1 MET A 61 -27.072 -3.376 -7.396 1.00 0.00 H new ATOM 0 HE2 MET A 61 -26.942 -1.608 -7.554 1.00 0.00 H new ATOM 0 HE3 MET A 61 -25.503 -2.630 -7.782 1.00 0.00 H new ATOM 959 N THR A 62 -24.802 3.294 -4.251 1.00 0.00 N ATOM 960 CA THR A 62 -24.154 3.981 -3.139 1.00 0.00 C ATOM 961 C THR A 62 -24.726 3.550 -1.778 1.00 0.00 C ATOM 962 O THR A 62 -24.605 4.271 -0.787 1.00 0.00 O ATOM 963 CB THR A 62 -24.278 5.514 -3.323 1.00 0.00 C ATOM 964 OG1 THR A 62 -23.629 6.211 -2.249 1.00 0.00 O ATOM 965 CG2 THR A 62 -25.740 5.940 -3.405 1.00 0.00 C ATOM 0 H THR A 62 -25.563 3.822 -4.679 1.00 0.00 H new ATOM 0 HA THR A 62 -23.101 3.701 -3.144 1.00 0.00 H new ATOM 0 HB THR A 62 -23.786 5.773 -4.261 1.00 0.00 H new ATOM 0 HG1 THR A 62 -23.755 5.715 -1.413 1.00 0.00 H new ATOM 0 HG21 THR A 62 -25.797 7.021 -3.534 1.00 0.00 H new ATOM 0 HG22 THR A 62 -26.215 5.448 -4.253 1.00 0.00 H new ATOM 0 HG23 THR A 62 -26.254 5.657 -2.486 1.00 0.00 H new ATOM 973 N GLU A 63 -25.317 2.362 -1.725 1.00 0.00 N ATOM 974 CA GLU A 63 -25.837 1.842 -0.465 1.00 0.00 C ATOM 975 C GLU A 63 -24.701 1.315 0.405 1.00 0.00 C ATOM 976 O GLU A 63 -24.715 1.474 1.624 1.00 0.00 O ATOM 977 CB GLU A 63 -26.878 0.741 -0.703 1.00 0.00 C ATOM 978 CG GLU A 63 -26.380 -0.424 -1.546 1.00 0.00 C ATOM 979 CD GLU A 63 -27.340 -1.597 -1.536 1.00 0.00 C ATOM 980 OE1 GLU A 63 -28.539 -1.391 -1.812 1.00 0.00 O ATOM 981 OE2 GLU A 63 -26.897 -2.735 -1.257 1.00 0.00 O ATOM 0 H GLU A 63 -25.447 1.747 -2.528 1.00 0.00 H new ATOM 0 HA GLU A 63 -26.328 2.664 0.056 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -27.212 0.359 0.262 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -27.748 1.180 -1.190 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -26.231 -0.089 -2.572 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -25.409 -0.750 -1.173 1.00 0.00 H new ATOM 988 N TYR A 64 -23.710 0.705 -0.234 1.00 0.00 N ATOM 989 CA TYR A 64 -22.567 0.152 0.474 1.00 0.00 C ATOM 990 C TYR A 64 -21.266 0.498 -0.233 1.00 0.00 C ATOM 991 O TYR A 64 -21.126 0.298 -1.439 1.00 0.00 O ATOM 992 CB TYR A 64 -22.695 -1.370 0.617 1.00 0.00 C ATOM 993 CG TYR A 64 -23.428 -1.812 1.868 1.00 0.00 C ATOM 994 CD1 TYR A 64 -24.815 -1.868 1.912 1.00 0.00 C ATOM 995 CD2 TYR A 64 -22.721 -2.174 3.008 1.00 0.00 C ATOM 996 CE1 TYR A 64 -25.476 -2.270 3.058 1.00 0.00 C ATOM 997 CE2 TYR A 64 -23.374 -2.577 4.157 1.00 0.00 C ATOM 998 CZ TYR A 64 -24.752 -2.624 4.178 1.00 0.00 C ATOM 999 OH TYR A 64 -25.408 -3.025 5.322 1.00 0.00 O ATOM 0 H TYR A 64 -23.677 0.582 -1.246 1.00 0.00 H new ATOM 0 HA TYR A 64 -22.551 0.597 1.469 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -23.216 -1.764 -0.255 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -21.698 -1.810 0.618 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -25.386 -1.593 1.038 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -21.642 -2.140 2.996 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -26.555 -2.307 3.076 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -22.808 -2.854 5.034 1.00 0.00 H new ATOM 0 HH TYR A 64 -24.752 -3.240 6.017 1.00 0.00 H new ATOM 1009 N ARG A 65 -20.325 1.038 0.524 1.00 0.00 N ATOM 1010 CA ARG A 65 -18.997 1.327 0.020 1.00 0.00 C ATOM 1011 C ARG A 65 -17.979 1.068 1.121 1.00 0.00 C ATOM 1012 O ARG A 65 -18.110 1.585 2.231 1.00 0.00 O ATOM 1013 CB ARG A 65 -18.913 2.772 -0.491 1.00 0.00 C ATOM 1014 CG ARG A 65 -19.320 3.822 0.532 1.00 0.00 C ATOM 1015 CD ARG A 65 -19.339 5.212 -0.081 1.00 0.00 C ATOM 1016 NE ARG A 65 -19.729 6.240 0.883 1.00 0.00 N ATOM 1017 CZ ARG A 65 -20.593 7.220 0.613 1.00 0.00 C ATOM 1018 NH1 ARG A 65 -21.190 7.280 -0.570 1.00 0.00 N ATOM 1019 NH2 ARG A 65 -20.867 8.135 1.530 1.00 0.00 N ATOM 0 H ARG A 65 -20.462 1.287 1.504 1.00 0.00 H new ATOM 0 HA ARG A 65 -18.777 0.673 -0.824 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -17.891 2.972 -0.813 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -19.550 2.872 -1.370 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -20.307 3.583 0.928 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -18.626 3.802 1.372 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -18.351 5.445 -0.477 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -20.031 5.226 -0.923 1.00 0.00 H new ATOM 0 HE ARG A 65 -19.317 6.206 1.815 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -20.989 6.575 -1.279 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -21.850 8.032 -0.771 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -20.417 8.091 2.444 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -21.528 8.884 1.322 1.00 0.00 H new ATOM 1033 N LYS A 66 -16.981 0.256 0.829 1.00 0.00 N ATOM 1034 CA LYS A 66 -16.035 -0.167 1.849 1.00 0.00 C ATOM 1035 C LYS A 66 -14.604 0.133 1.433 1.00 0.00 C ATOM 1036 O LYS A 66 -14.226 -0.090 0.283 1.00 0.00 O ATOM 1037 CB LYS A 66 -16.198 -1.665 2.120 1.00 0.00 C ATOM 1038 CG LYS A 66 -15.333 -2.183 3.256 1.00 0.00 C ATOM 1039 CD LYS A 66 -15.675 -1.497 4.568 1.00 0.00 C ATOM 1040 CE LYS A 66 -14.850 -2.039 5.722 1.00 0.00 C ATOM 1041 NZ LYS A 66 -15.158 -3.465 6.006 1.00 0.00 N ATOM 0 H LYS A 66 -16.803 -0.124 -0.101 1.00 0.00 H new ATOM 0 HA LYS A 66 -16.245 0.393 2.760 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -17.243 -1.871 2.350 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -15.956 -2.217 1.212 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -15.471 -3.259 3.359 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -14.282 -2.018 3.020 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -15.505 -0.425 4.472 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -16.735 -1.634 4.784 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -13.790 -1.937 5.489 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -15.039 -1.443 6.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -14.733 -3.738 6.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -16.189 -3.595 6.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -14.768 -4.062 5.249 1.00 0.00 H new ATOM 1055 N ASN A 67 -13.818 0.645 2.372 1.00 0.00 N ATOM 1056 CA ASN A 67 -12.404 0.886 2.137 1.00 0.00 C ATOM 1057 C ASN A 67 -11.563 -0.086 2.957 1.00 0.00 C ATOM 1058 O ASN A 67 -11.759 -0.241 4.162 1.00 0.00 O ATOM 1059 CB ASN A 67 -12.020 2.339 2.467 1.00 0.00 C ATOM 1060 CG ASN A 67 -12.147 2.685 3.943 1.00 0.00 C ATOM 1061 OD1 ASN A 67 -11.194 2.552 4.711 1.00 0.00 O ATOM 1062 ND2 ASN A 67 -13.322 3.145 4.345 1.00 0.00 N ATOM 0 H ASN A 67 -14.139 0.901 3.306 1.00 0.00 H new ATOM 0 HA ASN A 67 -12.205 0.723 1.078 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -10.992 2.515 2.149 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -12.653 3.013 1.889 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -13.461 3.403 5.322 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -14.088 3.241 3.678 1.00 0.00 H new ATOM 1069 N VAL A 68 -10.677 -0.791 2.279 1.00 0.00 N ATOM 1070 CA VAL A 68 -9.725 -1.667 2.938 1.00 0.00 C ATOM 1071 C VAL A 68 -8.305 -1.166 2.706 1.00 0.00 C ATOM 1072 O VAL A 68 -7.897 -0.935 1.568 1.00 0.00 O ATOM 1073 CB VAL A 68 -9.863 -3.132 2.465 1.00 0.00 C ATOM 1074 CG1 VAL A 68 -11.052 -3.799 3.139 1.00 0.00 C ATOM 1075 CG2 VAL A 68 -10.022 -3.200 0.953 1.00 0.00 C ATOM 0 H VAL A 68 -10.596 -0.774 1.262 1.00 0.00 H new ATOM 0 HA VAL A 68 -9.944 -1.649 4.006 1.00 0.00 H new ATOM 0 HB VAL A 68 -8.953 -3.663 2.744 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -11.134 -4.830 2.795 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -10.911 -3.788 4.220 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -11.964 -3.258 2.886 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -10.117 -4.241 0.644 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -10.915 -2.650 0.656 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -9.148 -2.758 0.475 1.00 0.00 H new ATOM 1085 N GLY A 69 -7.561 -0.979 3.783 1.00 0.00 N ATOM 1086 CA GLY A 69 -6.227 -0.430 3.659 1.00 0.00 C ATOM 1087 C GLY A 69 -5.156 -1.321 4.249 1.00 0.00 C ATOM 1088 O GLY A 69 -5.245 -1.735 5.407 1.00 0.00 O ATOM 0 H GLY A 69 -7.853 -1.196 4.736 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -6.008 -0.260 2.605 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -6.194 0.541 4.152 1.00 0.00 H new ATOM 1092 N LEU A 70 -4.152 -1.629 3.442 1.00 0.00 N ATOM 1093 CA LEU A 70 -2.990 -2.376 3.903 1.00 0.00 C ATOM 1094 C LEU A 70 -1.752 -1.486 3.821 1.00 0.00 C ATOM 1095 O LEU A 70 -1.243 -1.010 4.836 1.00 0.00 O ATOM 1096 CB LEU A 70 -2.798 -3.642 3.059 1.00 0.00 C ATOM 1097 CG LEU A 70 -3.963 -4.636 3.097 1.00 0.00 C ATOM 1098 CD1 LEU A 70 -3.700 -5.809 2.162 1.00 0.00 C ATOM 1099 CD2 LEU A 70 -4.195 -5.131 4.514 1.00 0.00 C ATOM 0 H LEU A 70 -4.119 -1.371 2.456 1.00 0.00 H new ATOM 0 HA LEU A 70 -3.145 -2.680 4.938 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.628 -3.346 2.024 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.896 -4.151 3.398 1.00 0.00 H new ATOM 0 HG LEU A 70 -4.862 -4.121 2.758 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -4.539 -6.503 2.204 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -3.583 -5.442 1.142 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -2.789 -6.322 2.470 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -5.026 -5.836 4.522 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -3.295 -5.627 4.878 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -4.430 -4.286 5.161 1.00 0.00 H new ATOM 1111 N ARG A 71 -1.290 -1.251 2.602 1.00 0.00 N ATOM 1112 CA ARG A 71 -0.216 -0.297 2.349 1.00 0.00 C ATOM 1113 C ARG A 71 -0.764 0.851 1.519 1.00 0.00 C ATOM 1114 O ARG A 71 -0.043 1.765 1.119 1.00 0.00 O ATOM 1115 CB ARG A 71 0.949 -0.973 1.625 1.00 0.00 C ATOM 1116 CG ARG A 71 1.755 -1.902 2.514 1.00 0.00 C ATOM 1117 CD ARG A 71 2.867 -2.591 1.741 1.00 0.00 C ATOM 1118 NE ARG A 71 2.357 -3.654 0.871 1.00 0.00 N ATOM 1119 CZ ARG A 71 2.804 -3.894 -0.363 1.00 0.00 C ATOM 1120 NH1 ARG A 71 3.691 -3.077 -0.924 1.00 0.00 N ATOM 1121 NH2 ARG A 71 2.346 -4.943 -1.042 1.00 0.00 N ATOM 0 H ARG A 71 -1.645 -1.712 1.764 1.00 0.00 H new ATOM 0 HA ARG A 71 0.160 0.085 3.298 1.00 0.00 H new ATOM 0 HB2 ARG A 71 0.561 -1.539 0.778 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.609 -0.206 1.220 1.00 0.00 H new ATOM 0 HG2 ARG A 71 2.183 -1.335 3.341 1.00 0.00 H new ATOM 0 HG3 ARG A 71 1.095 -2.652 2.950 1.00 0.00 H new ATOM 0 HD2 ARG A 71 3.399 -1.855 1.139 1.00 0.00 H new ATOM 0 HD3 ARG A 71 3.588 -3.011 2.442 1.00 0.00 H new ATOM 0 HE ARG A 71 1.612 -4.249 1.232 1.00 0.00 H new ATOM 0 HH11 ARG A 71 4.032 -2.264 -0.411 1.00 0.00 H new ATOM 0 HH12 ARG A 71 4.031 -3.263 -1.868 1.00 0.00 H new ATOM 0 HH21 ARG A 71 1.654 -5.562 -0.619 1.00 0.00 H new ATOM 0 HH22 ARG A 71 2.687 -5.128 -1.985 1.00 0.00 H new ATOM 1135 N ASN A 72 -2.064 0.777 1.284 1.00 0.00 N ATOM 1136 CA ASN A 72 -2.780 1.702 0.424 1.00 0.00 C ATOM 1137 C ASN A 72 -4.272 1.498 0.647 1.00 0.00 C ATOM 1138 O ASN A 72 -4.664 0.502 1.258 1.00 0.00 O ATOM 1139 CB ASN A 72 -2.406 1.462 -1.046 1.00 0.00 C ATOM 1140 CG ASN A 72 -2.733 0.053 -1.532 1.00 0.00 C ATOM 1141 OD1 ASN A 72 -2.813 -0.899 -0.749 1.00 0.00 O ATOM 1142 ND2 ASN A 72 -2.879 -0.097 -2.836 1.00 0.00 N ATOM 0 H ASN A 72 -2.661 0.059 1.694 1.00 0.00 H new ATOM 0 HA ASN A 72 -2.510 2.730 0.666 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -2.932 2.185 -1.670 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -1.339 1.645 -1.176 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -3.064 -1.021 -3.225 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -2.807 0.712 -3.454 1.00 0.00 H new ATOM 1149 N ILE A 73 -5.103 2.415 0.175 1.00 0.00 N ATOM 1150 CA ILE A 73 -6.530 2.328 0.458 1.00 0.00 C ATOM 1151 C ILE A 73 -7.302 1.870 -0.770 1.00 0.00 C ATOM 1152 O ILE A 73 -7.288 2.529 -1.810 1.00 0.00 O ATOM 1153 CB ILE A 73 -7.100 3.673 0.958 1.00 0.00 C ATOM 1154 CG1 ILE A 73 -6.325 4.170 2.187 1.00 0.00 C ATOM 1155 CG2 ILE A 73 -8.579 3.540 1.287 1.00 0.00 C ATOM 1156 CD1 ILE A 73 -6.394 3.238 3.381 1.00 0.00 C ATOM 0 H ILE A 73 -4.823 3.213 -0.395 1.00 0.00 H new ATOM 0 HA ILE A 73 -6.650 1.591 1.252 1.00 0.00 H new ATOM 0 HB ILE A 73 -6.986 4.405 0.159 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -5.280 4.313 1.911 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -6.714 5.146 2.478 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -8.961 4.499 1.638 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -9.125 3.236 0.394 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -8.712 2.789 2.066 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -5.822 3.661 4.206 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -7.433 3.114 3.686 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -5.977 2.268 3.110 1.00 0.00 H new ATOM 1168 N ILE A 74 -7.965 0.731 -0.646 1.00 0.00 N ATOM 1169 CA ILE A 74 -8.758 0.188 -1.732 1.00 0.00 C ATOM 1170 C ILE A 74 -10.247 0.366 -1.437 1.00 0.00 C ATOM 1171 O ILE A 74 -10.757 -0.140 -0.436 1.00 0.00 O ATOM 1172 CB ILE A 74 -8.457 -1.311 -1.944 1.00 0.00 C ATOM 1173 CG1 ILE A 74 -6.951 -1.536 -2.094 1.00 0.00 C ATOM 1174 CG2 ILE A 74 -9.201 -1.834 -3.167 1.00 0.00 C ATOM 1175 CD1 ILE A 74 -6.554 -2.996 -2.150 1.00 0.00 C ATOM 0 H ILE A 74 -7.968 0.164 0.202 1.00 0.00 H new ATOM 0 HA ILE A 74 -8.496 0.730 -2.640 1.00 0.00 H new ATOM 0 HB ILE A 74 -8.802 -1.862 -1.069 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -6.608 -1.041 -3.002 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -6.437 -1.061 -1.258 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -8.978 -2.892 -3.303 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -10.274 -1.704 -3.023 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -8.884 -1.280 -4.050 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -5.472 -3.075 -2.257 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -6.865 -3.493 -1.231 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -7.038 -3.472 -3.002 1.00 0.00 H new ATOM 1187 N PHE A 75 -10.927 1.084 -2.311 1.00 0.00 N ATOM 1188 CA PHE A 75 -12.354 1.321 -2.176 1.00 0.00 C ATOM 1189 C PHE A 75 -13.138 0.354 -3.053 1.00 0.00 C ATOM 1190 O PHE A 75 -12.844 0.201 -4.236 1.00 0.00 O ATOM 1191 CB PHE A 75 -12.703 2.761 -2.570 1.00 0.00 C ATOM 1192 CG PHE A 75 -12.133 3.815 -1.663 1.00 0.00 C ATOM 1193 CD1 PHE A 75 -12.806 4.188 -0.511 1.00 0.00 C ATOM 1194 CD2 PHE A 75 -10.938 4.445 -1.973 1.00 0.00 C ATOM 1195 CE1 PHE A 75 -12.297 5.169 0.316 1.00 0.00 C ATOM 1196 CE2 PHE A 75 -10.424 5.425 -1.146 1.00 0.00 C ATOM 1197 CZ PHE A 75 -11.105 5.788 0.000 1.00 0.00 C ATOM 0 H PHE A 75 -10.508 1.519 -3.133 1.00 0.00 H new ATOM 0 HA PHE A 75 -12.624 1.162 -1.132 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -12.347 2.942 -3.584 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -13.788 2.865 -2.589 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -13.739 3.706 -0.257 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -10.404 4.167 -2.869 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -12.832 5.452 1.211 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -9.490 5.907 -1.395 1.00 0.00 H new ATOM 0 HZ PHE A 75 -10.705 6.555 0.647 1.00 0.00 H new ATOM 1207 N SER A 76 -14.117 -0.308 -2.463 1.00 0.00 N ATOM 1208 CA SER A 76 -15.024 -1.160 -3.211 1.00 0.00 C ATOM 1209 C SER A 76 -16.408 -0.519 -3.262 1.00 0.00 C ATOM 1210 O SER A 76 -17.106 -0.455 -2.247 1.00 0.00 O ATOM 1211 CB SER A 76 -15.106 -2.546 -2.568 1.00 0.00 C ATOM 1212 OG SER A 76 -13.828 -3.159 -2.503 1.00 0.00 O ATOM 0 H SER A 76 -14.305 -0.271 -1.461 1.00 0.00 H new ATOM 0 HA SER A 76 -14.646 -1.274 -4.227 1.00 0.00 H new ATOM 0 HB2 SER A 76 -15.522 -2.460 -1.564 1.00 0.00 H new ATOM 0 HB3 SER A 76 -15.786 -3.176 -3.142 1.00 0.00 H new ATOM 0 HG SER A 76 -13.910 -4.042 -2.086 1.00 0.00 H new ATOM 1218 N ILE A 77 -16.781 -0.015 -4.430 1.00 0.00 N ATOM 1219 CA ILE A 77 -18.077 0.628 -4.599 1.00 0.00 C ATOM 1220 C ILE A 77 -18.918 -0.149 -5.603 1.00 0.00 C ATOM 1221 O ILE A 77 -18.497 -0.363 -6.739 1.00 0.00 O ATOM 1222 CB ILE A 77 -17.954 2.093 -5.092 1.00 0.00 C ATOM 1223 CG1 ILE A 77 -17.000 2.909 -4.212 1.00 0.00 C ATOM 1224 CG2 ILE A 77 -19.323 2.757 -5.123 1.00 0.00 C ATOM 1225 CD1 ILE A 77 -15.546 2.805 -4.622 1.00 0.00 C ATOM 0 H ILE A 77 -16.207 -0.039 -5.273 1.00 0.00 H new ATOM 0 HA ILE A 77 -18.552 0.636 -3.618 1.00 0.00 H new ATOM 0 HB ILE A 77 -17.541 2.065 -6.100 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -17.301 3.956 -4.241 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -17.101 2.576 -3.179 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -19.221 3.785 -5.471 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -19.978 2.208 -5.799 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -19.752 2.754 -4.121 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -14.935 3.410 -3.952 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -15.226 1.765 -4.566 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -15.429 3.166 -5.644 1.00 0.00 H new ATOM 1237 N GLN A 78 -20.099 -0.580 -5.181 1.00 0.00 N ATOM 1238 CA GLN A 78 -21.013 -1.275 -6.075 1.00 0.00 C ATOM 1239 C GLN A 78 -21.533 -0.321 -7.146 1.00 0.00 C ATOM 1240 O GLN A 78 -21.896 0.818 -6.856 1.00 0.00 O ATOM 1241 CB GLN A 78 -22.174 -1.874 -5.284 1.00 0.00 C ATOM 1242 CG GLN A 78 -21.767 -3.025 -4.380 1.00 0.00 C ATOM 1243 CD GLN A 78 -22.921 -3.529 -3.536 1.00 0.00 C ATOM 1244 OE1 GLN A 78 -23.124 -3.077 -2.409 1.00 0.00 O ATOM 1245 NE2 GLN A 78 -23.695 -4.459 -4.077 1.00 0.00 N ATOM 0 H GLN A 78 -20.445 -0.461 -4.229 1.00 0.00 H new ATOM 0 HA GLN A 78 -20.474 -2.085 -6.566 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -22.631 -1.092 -4.678 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -22.936 -2.223 -5.981 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -21.380 -3.843 -4.988 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -20.956 -2.702 -3.727 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -23.494 -4.808 -5.014 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -24.492 -4.825 -3.556 1.00 0.00 H new ATOM 1254 N LYS A 79 -21.560 -0.781 -8.383 1.00 0.00 N ATOM 1255 CA LYS A 79 -22.014 0.049 -9.483 1.00 0.00 C ATOM 1256 C LYS A 79 -23.101 -0.672 -10.260 1.00 0.00 C ATOM 1257 O LYS A 79 -23.179 -1.898 -10.233 1.00 0.00 O ATOM 1258 CB LYS A 79 -20.832 0.423 -10.393 1.00 0.00 C ATOM 1259 CG LYS A 79 -20.138 -0.761 -11.070 1.00 0.00 C ATOM 1260 CD LYS A 79 -20.804 -1.143 -12.389 1.00 0.00 C ATOM 1261 CE LYS A 79 -20.756 0.006 -13.381 1.00 0.00 C ATOM 1262 NZ LYS A 79 -21.529 -0.275 -14.618 1.00 0.00 N ATOM 0 H LYS A 79 -21.274 -1.723 -8.651 1.00 0.00 H new ATOM 0 HA LYS A 79 -22.434 0.973 -9.086 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -21.189 1.106 -11.164 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -20.095 0.967 -9.802 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -19.093 -0.512 -11.252 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -20.149 -1.619 -10.398 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -20.304 -2.014 -12.813 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -21.841 -1.427 -12.207 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -21.149 0.906 -12.908 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -19.718 0.211 -13.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -21.478 0.547 -15.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -21.129 -1.108 -15.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -22.522 -0.461 -14.372 1.00 0.00 H new ATOM 1276 N GLU A 80 -23.945 0.079 -10.944 1.00 0.00 N ATOM 1277 CA GLU A 80 -25.003 -0.529 -11.725 1.00 0.00 C ATOM 1278 C GLU A 80 -24.907 -0.096 -13.186 1.00 0.00 C ATOM 1279 O GLU A 80 -24.275 -0.773 -14.002 1.00 0.00 O ATOM 1280 CB GLU A 80 -26.376 -0.165 -11.162 1.00 0.00 C ATOM 1281 CG GLU A 80 -27.509 -0.941 -11.807 1.00 0.00 C ATOM 1282 CD GLU A 80 -28.785 -0.139 -11.893 1.00 0.00 C ATOM 1283 OE1 GLU A 80 -28.913 0.656 -12.850 1.00 0.00 O ATOM 1284 OE2 GLU A 80 -29.655 -0.295 -11.018 1.00 0.00 O ATOM 0 H GLU A 80 -23.919 1.098 -10.974 1.00 0.00 H new ATOM 0 HA GLU A 80 -24.882 -1.611 -11.668 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -26.382 -0.350 -10.088 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -26.548 0.902 -11.303 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -27.210 -1.249 -12.809 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -27.693 -1.851 -11.235 1.00 0.00 H new ATOM 1427 N LEU A 88 -17.272 4.219 -18.119 1.00 0.00 N ATOM 1428 CA LEU A 88 -17.560 4.346 -16.698 1.00 0.00 C ATOM 1429 C LEU A 88 -17.365 5.788 -16.257 1.00 0.00 C ATOM 1430 O LEU A 88 -18.253 6.400 -15.664 1.00 0.00 O ATOM 1431 CB LEU A 88 -16.664 3.414 -15.876 1.00 0.00 C ATOM 1432 CG LEU A 88 -16.920 3.434 -14.365 1.00 0.00 C ATOM 1433 CD1 LEU A 88 -18.325 2.948 -14.049 1.00 0.00 C ATOM 1434 CD2 LEU A 88 -15.891 2.588 -13.636 1.00 0.00 C ATOM 0 HA LEU A 88 -18.597 4.058 -16.527 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -16.797 2.395 -16.238 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -15.623 3.683 -16.056 1.00 0.00 H new ATOM 0 HG LEU A 88 -16.828 4.464 -14.020 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -18.484 2.971 -12.971 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -19.053 3.596 -14.537 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -18.447 1.928 -14.412 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -16.090 2.615 -12.565 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -15.950 1.559 -13.990 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -14.893 2.982 -13.830 1.00 0.00 H new ATOM 1446 N LEU A 89 -16.200 6.332 -16.569 1.00 0.00 N ATOM 1447 CA LEU A 89 -15.880 7.705 -16.223 1.00 0.00 C ATOM 1448 C LEU A 89 -16.615 8.650 -17.169 1.00 0.00 C ATOM 1449 O LEU A 89 -16.357 8.654 -18.372 1.00 0.00 O ATOM 1450 CB LEU A 89 -14.363 7.928 -16.294 1.00 0.00 C ATOM 1451 CG LEU A 89 -13.777 8.881 -15.243 1.00 0.00 C ATOM 1452 CD1 LEU A 89 -14.304 10.294 -15.421 1.00 0.00 C ATOM 1453 CD2 LEU A 89 -14.075 8.373 -13.836 1.00 0.00 C ATOM 0 H LEU A 89 -15.457 5.839 -17.064 1.00 0.00 H new ATOM 0 HA LEU A 89 -16.203 7.909 -15.202 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -13.868 6.962 -16.197 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -14.118 8.314 -17.283 1.00 0.00 H new ATOM 0 HG LEU A 89 -12.696 8.908 -15.384 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -13.869 10.943 -14.661 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -14.032 10.662 -16.411 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -15.389 10.293 -15.320 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -13.652 9.061 -13.104 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -15.154 8.309 -13.693 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -13.632 7.386 -13.704 1.00 0.00 H new ATOM 1465 N LYS A 90 -17.545 9.424 -16.613 1.00 0.00 N ATOM 1466 CA LYS A 90 -18.373 10.342 -17.392 1.00 0.00 C ATOM 1467 C LYS A 90 -17.511 11.283 -18.236 1.00 0.00 C ATOM 1468 O LYS A 90 -17.829 11.572 -19.389 1.00 0.00 O ATOM 1469 CB LYS A 90 -19.271 11.154 -16.456 1.00 0.00 C ATOM 1470 CG LYS A 90 -20.284 12.030 -17.177 1.00 0.00 C ATOM 1471 CD LYS A 90 -21.061 12.905 -16.204 1.00 0.00 C ATOM 1472 CE LYS A 90 -20.143 13.873 -15.478 1.00 0.00 C ATOM 1473 NZ LYS A 90 -20.883 14.743 -14.531 1.00 0.00 N ATOM 0 H LYS A 90 -17.745 9.433 -15.613 1.00 0.00 H new ATOM 0 HA LYS A 90 -18.992 9.752 -18.068 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -19.803 10.470 -15.795 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -18.645 11.784 -15.825 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -19.770 12.660 -17.903 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -20.978 11.401 -17.735 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -21.826 13.462 -16.744 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -21.577 12.276 -15.478 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -19.382 13.312 -14.935 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -19.622 14.493 -16.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -20.207 15.266 -13.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -21.469 15.417 -15.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -21.493 14.157 -13.926 1.00 0.00 H new ATOM 1487 N SER A 91 -16.415 11.752 -17.658 1.00 0.00 N ATOM 1488 CA SER A 91 -15.484 12.601 -18.378 1.00 0.00 C ATOM 1489 C SER A 91 -14.496 11.734 -19.151 1.00 0.00 C ATOM 1490 O SER A 91 -13.316 11.647 -18.810 1.00 0.00 O ATOM 1491 CB SER A 91 -14.744 13.530 -17.412 1.00 0.00 C ATOM 1492 OG SER A 91 -13.970 14.490 -18.115 1.00 0.00 O ATOM 0 H SER A 91 -16.151 11.558 -16.692 1.00 0.00 H new ATOM 0 HA SER A 91 -16.039 13.221 -19.081 1.00 0.00 H new ATOM 0 HB2 SER A 91 -15.463 14.038 -16.770 1.00 0.00 H new ATOM 0 HB3 SER A 91 -14.096 12.942 -16.762 1.00 0.00 H new ATOM 0 HG SER A 91 -13.509 15.071 -17.474 1.00 0.00 H new ATOM 1498 N GLU A 92 -14.998 11.071 -20.183 1.00 0.00 N ATOM 1499 CA GLU A 92 -14.181 10.159 -20.971 1.00 0.00 C ATOM 1500 C GLU A 92 -13.474 10.882 -22.112 1.00 0.00 C ATOM 1501 O GLU A 92 -12.825 10.255 -22.952 1.00 0.00 O ATOM 1502 CB GLU A 92 -15.034 8.988 -21.490 1.00 0.00 C ATOM 1503 CG GLU A 92 -16.387 9.383 -22.082 1.00 0.00 C ATOM 1504 CD GLU A 92 -16.295 9.925 -23.492 1.00 0.00 C ATOM 1505 OE1 GLU A 92 -16.261 9.114 -24.445 1.00 0.00 O ATOM 1506 OE2 GLU A 92 -16.261 11.160 -23.657 1.00 0.00 O ATOM 0 H GLU A 92 -15.966 11.147 -20.494 1.00 0.00 H new ATOM 0 HA GLU A 92 -13.404 9.754 -20.322 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -14.465 8.453 -22.250 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -15.204 8.291 -20.669 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -17.044 8.513 -22.078 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -16.849 10.135 -21.442 1.00 0.00 H new ATOM 1513 N GLU A 93 -13.587 12.203 -22.129 1.00 0.00 N ATOM 1514 CA GLU A 93 -12.925 13.013 -23.141 1.00 0.00 C ATOM 1515 C GLU A 93 -11.473 13.279 -22.765 1.00 0.00 C ATOM 1516 O GLU A 93 -10.598 13.304 -23.629 1.00 0.00 O ATOM 1517 CB GLU A 93 -13.665 14.336 -23.341 1.00 0.00 C ATOM 1518 CG GLU A 93 -15.034 14.165 -23.974 1.00 0.00 C ATOM 1519 CD GLU A 93 -15.785 15.465 -24.119 1.00 0.00 C ATOM 1520 OE1 GLU A 93 -15.338 16.338 -24.897 1.00 0.00 O ATOM 1521 OE2 GLU A 93 -16.841 15.617 -23.475 1.00 0.00 O ATOM 0 H GLU A 93 -14.132 12.737 -21.452 1.00 0.00 H new ATOM 0 HA GLU A 93 -12.942 12.455 -24.077 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -13.777 14.832 -22.377 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -13.061 14.992 -23.968 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -14.919 13.707 -24.956 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -15.624 13.477 -23.369 1.00 0.00 H new ATOM 1528 N LYS A 94 -11.212 13.461 -21.480 1.00 0.00 N ATOM 1529 CA LYS A 94 -9.864 13.761 -21.025 1.00 0.00 C ATOM 1530 C LYS A 94 -9.661 13.317 -19.579 1.00 0.00 C ATOM 1531 O LYS A 94 -10.067 14.010 -18.647 1.00 0.00 O ATOM 1532 CB LYS A 94 -9.586 15.264 -21.157 1.00 0.00 C ATOM 1533 CG LYS A 94 -8.137 15.653 -20.898 1.00 0.00 C ATOM 1534 CD LYS A 94 -7.206 15.092 -21.962 1.00 0.00 C ATOM 1535 CE LYS A 94 -5.767 15.530 -21.735 1.00 0.00 C ATOM 1536 NZ LYS A 94 -5.209 14.988 -20.469 1.00 0.00 N ATOM 0 H LYS A 94 -11.910 13.407 -20.739 1.00 0.00 H new ATOM 0 HA LYS A 94 -9.163 13.210 -21.652 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -9.864 15.587 -22.160 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -10.226 15.804 -20.459 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -8.050 16.739 -20.874 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -7.832 15.288 -19.918 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -7.261 14.003 -21.957 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -7.537 15.423 -22.947 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -5.152 15.200 -22.572 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -5.719 16.619 -21.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -4.321 14.484 -20.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -5.022 15.770 -19.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -5.892 14.330 -20.042 1.00 0.00 H new ATOM 1550 N PRO A 95 -9.069 12.130 -19.374 1.00 0.00 N ATOM 1551 CA PRO A 95 -8.678 11.671 -18.044 1.00 0.00 C ATOM 1552 C PRO A 95 -7.383 12.329 -17.581 1.00 0.00 C ATOM 1553 O PRO A 95 -6.644 12.903 -18.385 1.00 0.00 O ATOM 1554 CB PRO A 95 -8.472 10.169 -18.233 1.00 0.00 C ATOM 1555 CG PRO A 95 -8.067 10.024 -19.662 1.00 0.00 C ATOM 1556 CD PRO A 95 -8.762 11.130 -20.418 1.00 0.00 C ATOM 0 HA PRO A 95 -9.421 11.917 -17.286 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -7.703 9.786 -17.562 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -9.385 9.613 -18.021 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -6.985 10.102 -19.768 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -8.356 9.047 -20.050 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -8.122 11.547 -21.196 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -9.667 10.772 -20.908 1.00 0.00 H new ATOM 1564 N ALA A 96 -7.109 12.242 -16.294 1.00 0.00 N ATOM 1565 CA ALA A 96 -5.903 12.820 -15.733 1.00 0.00 C ATOM 1566 C ALA A 96 -4.805 11.766 -15.633 1.00 0.00 C ATOM 1567 O ALA A 96 -5.095 10.584 -15.463 1.00 0.00 O ATOM 1568 CB ALA A 96 -6.206 13.420 -14.373 1.00 0.00 C ATOM 0 H ALA A 96 -7.708 11.774 -15.614 1.00 0.00 H new ATOM 0 HA ALA A 96 -5.547 13.613 -16.390 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -5.297 13.853 -13.956 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -6.963 14.197 -14.479 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.576 12.641 -13.706 1.00 0.00 H new ATOM 1574 N PRO A 97 -3.532 12.182 -15.726 1.00 0.00 N ATOM 1575 CA PRO A 97 -2.387 11.257 -15.716 1.00 0.00 C ATOM 1576 C PRO A 97 -2.240 10.498 -14.397 1.00 0.00 C ATOM 1577 O PRO A 97 -1.504 9.518 -14.314 1.00 0.00 O ATOM 1578 CB PRO A 97 -1.177 12.170 -15.932 1.00 0.00 C ATOM 1579 CG PRO A 97 -1.638 13.521 -15.510 1.00 0.00 C ATOM 1580 CD PRO A 97 -3.096 13.583 -15.861 1.00 0.00 C ATOM 0 HA PRO A 97 -2.502 10.483 -16.475 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -0.323 11.841 -15.340 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -0.861 12.168 -16.975 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -1.486 13.670 -14.441 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -1.079 14.303 -16.023 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -3.645 14.243 -15.189 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -3.252 13.958 -16.873 1.00 0.00 H new ATOM 1588 N TYR A 98 -2.933 10.957 -13.361 1.00 0.00 N ATOM 1589 CA TYR A 98 -2.892 10.269 -12.079 1.00 0.00 C ATOM 1590 C TYR A 98 -4.010 9.239 -11.980 1.00 0.00 C ATOM 1591 O TYR A 98 -4.164 8.586 -10.949 1.00 0.00 O ATOM 1592 CB TYR A 98 -2.962 11.253 -10.897 1.00 0.00 C ATOM 1593 CG TYR A 98 -4.115 12.232 -10.935 1.00 0.00 C ATOM 1594 CD1 TYR A 98 -5.377 11.881 -10.468 1.00 0.00 C ATOM 1595 CD2 TYR A 98 -3.930 13.519 -11.421 1.00 0.00 C ATOM 1596 CE1 TYR A 98 -6.423 12.786 -10.485 1.00 0.00 C ATOM 1597 CE2 TYR A 98 -4.970 14.430 -11.441 1.00 0.00 C ATOM 1598 CZ TYR A 98 -6.215 14.059 -10.974 1.00 0.00 C ATOM 1599 OH TYR A 98 -7.252 14.967 -11.003 1.00 0.00 O ATOM 0 H TYR A 98 -3.521 11.790 -13.383 1.00 0.00 H new ATOM 0 HA TYR A 98 -1.934 9.752 -12.022 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -3.025 10.680 -9.972 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -2.030 11.817 -10.860 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -5.543 10.885 -10.086 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -2.958 13.813 -11.789 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -7.397 12.498 -10.118 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -4.809 15.428 -11.821 1.00 0.00 H new ATOM 0 HH TYR A 98 -7.081 15.680 -10.352 1.00 0.00 H new ATOM 1609 N ILE A 99 -4.790 9.103 -13.048 1.00 0.00 N ATOM 1610 CA ILE A 99 -5.808 8.074 -13.114 1.00 0.00 C ATOM 1611 C ILE A 99 -5.342 6.937 -13.996 1.00 0.00 C ATOM 1612 O ILE A 99 -5.297 7.033 -15.226 1.00 0.00 O ATOM 1613 CB ILE A 99 -7.170 8.632 -13.575 1.00 0.00 C ATOM 1614 CG1 ILE A 99 -7.806 9.351 -12.398 1.00 0.00 C ATOM 1615 CG2 ILE A 99 -8.089 7.522 -14.084 1.00 0.00 C ATOM 1616 CD1 ILE A 99 -8.650 10.546 -12.783 1.00 0.00 C ATOM 0 H ILE A 99 -4.732 9.695 -13.877 1.00 0.00 H new ATOM 0 HA ILE A 99 -5.962 7.688 -12.106 1.00 0.00 H new ATOM 0 HB ILE A 99 -7.016 9.321 -14.405 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -8.427 8.644 -11.847 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -7.019 9.680 -11.719 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -9.039 7.953 -14.400 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -7.619 7.020 -14.930 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -8.265 6.801 -13.286 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -9.067 11.002 -11.885 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -8.031 11.275 -13.306 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -9.461 10.223 -13.436 1.00 0.00 H new ATOM 1628 N LYS A 100 -4.957 5.880 -13.332 1.00 0.00 N ATOM 1629 CA LYS A 100 -4.410 4.707 -13.986 1.00 0.00 C ATOM 1630 C LYS A 100 -5.274 3.498 -13.675 1.00 0.00 C ATOM 1631 O LYS A 100 -6.231 3.595 -12.910 1.00 0.00 O ATOM 1632 CB LYS A 100 -2.973 4.458 -13.516 1.00 0.00 C ATOM 1633 CG LYS A 100 -2.053 5.664 -13.656 1.00 0.00 C ATOM 1634 CD LYS A 100 -1.786 6.018 -15.112 1.00 0.00 C ATOM 1635 CE LYS A 100 -1.003 4.923 -15.818 1.00 0.00 C ATOM 1636 NZ LYS A 100 -0.675 5.292 -17.219 1.00 0.00 N ATOM 0 H LYS A 100 -5.012 5.802 -12.316 1.00 0.00 H new ATOM 0 HA LYS A 100 -4.401 4.875 -15.063 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -2.993 4.149 -12.471 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -2.555 3.628 -14.086 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -2.501 6.521 -13.152 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -1.107 5.457 -13.155 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -2.733 6.180 -15.628 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -1.231 6.955 -15.164 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -0.082 4.724 -15.270 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -1.583 4.000 -15.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -0.141 4.519 -17.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -1.554 5.457 -17.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -0.100 6.158 -17.224 1.00 0.00 H new ATOM 1650 N VAL A 101 -4.936 2.361 -14.252 1.00 0.00 N ATOM 1651 CA VAL A 101 -5.699 1.146 -14.033 1.00 0.00 C ATOM 1652 C VAL A 101 -4.969 0.262 -13.036 1.00 0.00 C ATOM 1653 O VAL A 101 -3.775 0.033 -13.178 1.00 0.00 O ATOM 1654 CB VAL A 101 -5.920 0.367 -15.350 1.00 0.00 C ATOM 1655 CG1 VAL A 101 -6.736 -0.900 -15.108 1.00 0.00 C ATOM 1656 CG2 VAL A 101 -6.602 1.253 -16.386 1.00 0.00 C ATOM 0 H VAL A 101 -4.137 2.253 -14.877 1.00 0.00 H new ATOM 0 HA VAL A 101 -6.676 1.427 -13.641 1.00 0.00 H new ATOM 0 HB VAL A 101 -4.944 0.070 -15.735 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -6.876 -1.428 -16.051 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -6.207 -1.545 -14.406 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -7.708 -0.633 -14.694 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -6.750 0.689 -17.307 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -7.568 1.583 -16.003 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -5.977 2.122 -16.590 1.00 0.00 H new ATOM 1666 N ASP A 102 -5.670 -0.199 -12.013 1.00 0.00 N ATOM 1667 CA ASP A 102 -5.079 -1.121 -11.052 1.00 0.00 C ATOM 1668 C ASP A 102 -4.757 -2.446 -11.734 1.00 0.00 C ATOM 1669 O ASP A 102 -5.651 -3.242 -12.029 1.00 0.00 O ATOM 1670 CB ASP A 102 -6.020 -1.358 -9.869 1.00 0.00 C ATOM 1671 CG ASP A 102 -5.352 -2.135 -8.752 1.00 0.00 C ATOM 1672 OD1 ASP A 102 -4.829 -3.233 -9.016 1.00 0.00 O ATOM 1673 OD2 ASP A 102 -5.355 -1.653 -7.606 1.00 0.00 O ATOM 0 H ASP A 102 -6.642 0.047 -11.826 1.00 0.00 H new ATOM 0 HA ASP A 102 -4.159 -0.676 -10.673 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -6.367 -0.399 -9.485 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -6.901 -1.901 -10.211 1.00 0.00 H new ATOM 1678 N TRP A 103 -3.475 -2.669 -11.986 1.00 0.00 N ATOM 1679 CA TRP A 103 -3.019 -3.862 -12.693 1.00 0.00 C ATOM 1680 C TRP A 103 -3.009 -5.099 -11.787 1.00 0.00 C ATOM 1681 O TRP A 103 -2.638 -6.189 -12.225 1.00 0.00 O ATOM 1682 CB TRP A 103 -1.612 -3.632 -13.261 1.00 0.00 C ATOM 1683 CG TRP A 103 -1.527 -2.529 -14.276 1.00 0.00 C ATOM 1684 CD1 TRP A 103 -1.776 -2.630 -15.617 1.00 0.00 C ATOM 1685 CD2 TRP A 103 -1.159 -1.161 -14.041 1.00 0.00 C ATOM 1686 NE1 TRP A 103 -1.586 -1.412 -16.226 1.00 0.00 N ATOM 1687 CE2 TRP A 103 -1.209 -0.497 -15.281 1.00 0.00 C ATOM 1688 CE3 TRP A 103 -0.795 -0.434 -12.905 1.00 0.00 C ATOM 1689 CZ2 TRP A 103 -0.904 0.855 -15.415 1.00 0.00 C ATOM 1690 CZ3 TRP A 103 -0.497 0.908 -13.039 1.00 0.00 C ATOM 1691 CH2 TRP A 103 -0.553 1.541 -14.287 1.00 0.00 C ATOM 0 H TRP A 103 -2.725 -2.035 -11.710 1.00 0.00 H new ATOM 0 HA TRP A 103 -3.722 -4.047 -13.505 1.00 0.00 H new ATOM 0 HB2 TRP A 103 -0.934 -3.406 -12.438 1.00 0.00 H new ATOM 0 HB3 TRP A 103 -1.262 -4.558 -13.718 1.00 0.00 H new ATOM 0 HD1 TRP A 103 -2.078 -3.535 -16.124 1.00 0.00 H new ATOM 0 HE1 TRP A 103 -1.707 -1.221 -17.221 1.00 0.00 H new ATOM 0 HE3 TRP A 103 -0.747 -0.913 -11.938 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 -0.944 1.344 -16.377 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 -0.216 1.479 -12.166 1.00 0.00 H new ATOM 0 HH2 TRP A 103 -0.314 2.592 -14.359 1.00 0.00 H new ATOM 1702 N ASN A 104 -3.403 -4.938 -10.527 1.00 0.00 N ATOM 1703 CA ASN A 104 -3.350 -6.036 -9.566 1.00 0.00 C ATOM 1704 C ASN A 104 -4.744 -6.551 -9.228 1.00 0.00 C ATOM 1705 O ASN A 104 -4.915 -7.723 -8.891 1.00 0.00 O ATOM 1706 CB ASN A 104 -2.625 -5.612 -8.282 1.00 0.00 C ATOM 1707 CG ASN A 104 -1.174 -5.228 -8.516 1.00 0.00 C ATOM 1708 OD1 ASN A 104 -0.604 -4.432 -7.773 1.00 0.00 O ATOM 1709 ND2 ASN A 104 -0.565 -5.786 -9.553 1.00 0.00 N ATOM 0 H ASN A 104 -3.761 -4.061 -10.148 1.00 0.00 H new ATOM 0 HA ASN A 104 -2.790 -6.845 -10.035 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -3.151 -4.767 -7.837 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -2.667 -6.429 -7.562 1.00 0.00 H new ATOM 0 HD21 ASN A 104 0.408 -5.559 -9.756 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -1.070 -6.443 -10.148 1.00 0.00 H new ATOM 1716 N LYS A 105 -5.735 -5.675 -9.281 1.00 0.00 N ATOM 1717 CA LYS A 105 -7.112 -6.092 -9.084 1.00 0.00 C ATOM 1718 C LYS A 105 -7.698 -6.544 -10.412 1.00 0.00 C ATOM 1719 O LYS A 105 -8.606 -7.381 -10.455 1.00 0.00 O ATOM 1720 CB LYS A 105 -7.959 -4.962 -8.482 1.00 0.00 C ATOM 1721 CG LYS A 105 -7.325 -4.297 -7.269 1.00 0.00 C ATOM 1722 CD LYS A 105 -6.824 -5.312 -6.255 1.00 0.00 C ATOM 1723 CE LYS A 105 -5.883 -4.664 -5.250 1.00 0.00 C ATOM 1724 NZ LYS A 105 -5.248 -5.664 -4.350 1.00 0.00 N ATOM 0 H LYS A 105 -5.612 -4.678 -9.458 1.00 0.00 H new ATOM 0 HA LYS A 105 -7.125 -6.922 -8.378 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -8.136 -4.206 -9.247 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -8.932 -5.362 -8.198 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -6.495 -3.669 -7.593 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -8.054 -3.641 -6.794 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -7.671 -5.756 -5.731 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -6.308 -6.122 -6.771 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -5.108 -4.113 -5.783 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -6.435 -3.939 -4.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -4.616 -5.178 -3.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -5.985 -6.172 -3.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -4.699 -6.341 -4.916 1.00 0.00 H new ATOM 1738 N TRP A 106 -7.172 -5.977 -11.493 1.00 0.00 N ATOM 1739 CA TRP A 106 -7.527 -6.409 -12.835 1.00 0.00 C ATOM 1740 C TRP A 106 -7.001 -7.820 -13.062 1.00 0.00 C ATOM 1741 O TRP A 106 -5.796 -8.063 -12.988 1.00 0.00 O ATOM 1742 CB TRP A 106 -6.937 -5.450 -13.871 1.00 0.00 C ATOM 1743 CG TRP A 106 -7.898 -5.087 -14.958 1.00 0.00 C ATOM 1744 CD1 TRP A 106 -9.001 -4.299 -14.837 1.00 0.00 C ATOM 1745 CD2 TRP A 106 -7.830 -5.480 -16.333 1.00 0.00 C ATOM 1746 NE1 TRP A 106 -9.636 -4.185 -16.050 1.00 0.00 N ATOM 1747 CE2 TRP A 106 -8.934 -4.900 -16.984 1.00 0.00 C ATOM 1748 CE3 TRP A 106 -6.946 -6.270 -17.077 1.00 0.00 C ATOM 1749 CZ2 TRP A 106 -9.179 -5.084 -18.343 1.00 0.00 C ATOM 1750 CZ3 TRP A 106 -7.189 -6.447 -18.426 1.00 0.00 C ATOM 1751 CH2 TRP A 106 -8.297 -5.858 -19.045 1.00 0.00 C ATOM 0 H TRP A 106 -6.496 -5.214 -11.462 1.00 0.00 H new ATOM 0 HA TRP A 106 -8.612 -6.406 -12.943 1.00 0.00 H new ATOM 0 HB2 TRP A 106 -6.608 -4.541 -13.368 1.00 0.00 H new ATOM 0 HB3 TRP A 106 -6.052 -5.906 -14.315 1.00 0.00 H new ATOM 0 HD1 TRP A 106 -9.329 -3.831 -13.921 1.00 0.00 H new ATOM 0 HE1 TRP A 106 -10.490 -3.655 -16.226 1.00 0.00 H new ATOM 0 HE3 TRP A 106 -6.091 -6.732 -16.606 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 -10.034 -4.632 -18.824 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 -6.512 -7.050 -19.012 1.00 0.00 H new ATOM 0 HH2 TRP A 106 -8.459 -6.018 -20.101 1.00 0.00 H new