USER MOD reduce.3.24.130724 H: found=0, std=0, add=808, rem=0, adj=26 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 91 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 94 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.047) USER MOD Set 2.1: A 19 THR OG1 : rot 109:sc= 0.99 USER MOD Set 2.2: A 105 LYS NZ :NH3+ -178:sc= 0.409 (180deg=-0.822) USER MOD Set 3.1: A 11 GLN : amide:sc= 1.04 K(o=2.3,f=-3.1) USER MOD Set 3.2: A 79 LYS NZ :NH3+ 179:sc= 1.23 (180deg=0.0129) USER MOD Single : A 2 SER OG : rot 32:sc= 0.114 USER MOD Single : A 4 ASN : amide:sc= -0.393 K(o=-0.39,f=-5.3!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ -111:sc= 1.23 (180deg=-0.456) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -138:sc= -0.26 (180deg=-0.363) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -165:sc= -0.0272 (180deg=-0.291) USER MOD Single : A 32 CYS SG : rot -150:sc= -0.0121 USER MOD Single : A 35 GLN : amide:sc= 0.422 K(o=0.42,f=-0.3) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= -0.89 USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) 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+ -179:sc= 0.997 (180deg=0.989) USER MOD Single : A 61 MET CE :methyl -156:sc= -0.26 (180deg=-1.02) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.0132 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -174:sc= 0.523 (180deg=0.473) USER MOD Single : A 67 ASN : amide:sc= -0.0236 X(o=-0.024,f=-0.024) USER MOD Single : A 72 ASN : amide:sc= -0.138 K(o=-0.14,f=-2!) USER MOD Single : A 76 SER OG : rot -89:sc= 0.0244 USER MOD Single : A 78 GLN : amide:sc= -0.03 K(o=-0.03,f=-1.2!) USER MOD Single : A 90 LYS NZ :NH3+ 175:sc= 1.27 (180deg=1.24) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ -139:sc= 1.12 (180deg=0.12) USER MOD Single : A 104 ASN : amide:sc=-0.000441 K(o=-0.00044,f=-0.89) USER MOD ----------------------------------------------------------------- ATOM 14 N SER A 2 -4.362 21.178 -1.913 1.00 0.00 N ATOM 15 CA SER A 2 -4.993 19.932 -2.309 1.00 0.00 C ATOM 16 C SER A 2 -4.014 19.062 -3.093 1.00 0.00 C ATOM 17 O SER A 2 -3.413 19.506 -4.075 1.00 0.00 O ATOM 18 CB SER A 2 -6.240 20.216 -3.143 1.00 0.00 C ATOM 19 OG SER A 2 -7.135 21.067 -2.442 1.00 0.00 O ATOM 0 HA SER A 2 -5.289 19.391 -1.411 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.953 20.681 -4.086 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.740 19.279 -3.388 1.00 0.00 H new ATOM 0 HG SER A 2 -6.625 21.680 -1.873 1.00 0.00 H new ATOM 25 N ARG A 3 -3.851 17.834 -2.635 1.00 0.00 N ATOM 26 CA ARG A 3 -2.943 16.888 -3.259 1.00 0.00 C ATOM 27 C ARG A 3 -3.718 15.936 -4.163 1.00 0.00 C ATOM 28 O ARG A 3 -4.833 15.523 -3.832 1.00 0.00 O ATOM 29 CB ARG A 3 -2.177 16.106 -2.179 1.00 0.00 C ATOM 30 CG ARG A 3 -1.249 15.018 -2.714 1.00 0.00 C ATOM 31 CD ARG A 3 -0.215 15.571 -3.683 1.00 0.00 C ATOM 32 NE ARG A 3 0.591 16.634 -3.088 1.00 0.00 N ATOM 33 CZ ARG A 3 1.055 17.685 -3.767 1.00 0.00 C ATOM 34 NH1 ARG A 3 0.817 17.796 -5.068 1.00 0.00 N ATOM 35 NH2 ARG A 3 1.755 18.621 -3.146 1.00 0.00 N ATOM 0 H ARG A 3 -4.343 17.465 -1.822 1.00 0.00 H new ATOM 0 HA ARG A 3 -2.223 17.433 -3.869 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -1.588 16.809 -1.590 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -2.898 15.648 -1.502 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -0.741 14.534 -1.880 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -1.841 14.252 -3.215 1.00 0.00 H new ATOM 0 HD2 ARG A 3 0.439 14.764 -4.012 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -0.720 15.954 -4.570 1.00 0.00 H new ATOM 0 HE ARG A 3 0.812 16.569 -2.094 1.00 0.00 H new ATOM 0 HH11 ARG A 3 0.278 17.077 -5.551 1.00 0.00 H new ATOM 0 HH12 ARG A 3 1.173 18.600 -5.585 1.00 0.00 H new ATOM 0 HH21 ARG A 3 1.941 18.540 -2.146 1.00 0.00 H new ATOM 0 HH22 ARG A 3 2.109 19.423 -3.667 1.00 0.00 H new ATOM 49 N ASN A 4 -3.129 15.624 -5.306 1.00 0.00 N ATOM 50 CA ASN A 4 -3.705 14.683 -6.255 1.00 0.00 C ATOM 51 C ASN A 4 -2.620 13.746 -6.798 1.00 0.00 C ATOM 52 O ASN A 4 -1.916 14.070 -7.752 1.00 0.00 O ATOM 53 CB ASN A 4 -4.412 15.434 -7.399 1.00 0.00 C ATOM 54 CG ASN A 4 -3.517 16.434 -8.124 1.00 0.00 C ATOM 55 OD1 ASN A 4 -2.587 17.007 -7.549 1.00 0.00 O ATOM 56 ND2 ASN A 4 -3.803 16.665 -9.397 1.00 0.00 N ATOM 0 H ASN A 4 -2.236 16.017 -5.603 1.00 0.00 H new ATOM 0 HA ASN A 4 -4.451 14.078 -5.740 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -4.788 14.708 -8.120 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -5.277 15.960 -6.996 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -3.248 17.333 -9.931 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -4.578 16.175 -9.843 1.00 0.00 H new ATOM 63 N PRO A 5 -2.437 12.586 -6.152 1.00 0.00 N ATOM 64 CA PRO A 5 -1.430 11.611 -6.542 1.00 0.00 C ATOM 65 C PRO A 5 -1.964 10.567 -7.523 1.00 0.00 C ATOM 66 O PRO A 5 -2.995 10.768 -8.165 1.00 0.00 O ATOM 67 CB PRO A 5 -1.077 10.966 -5.204 1.00 0.00 C ATOM 68 CG PRO A 5 -2.338 11.022 -4.398 1.00 0.00 C ATOM 69 CD PRO A 5 -3.191 12.130 -4.977 1.00 0.00 C ATOM 0 HA PRO A 5 -0.587 12.064 -7.065 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -0.741 9.938 -5.339 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -0.268 11.503 -4.709 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -2.865 10.069 -4.441 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -2.116 11.216 -3.349 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -4.181 11.767 -5.255 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -3.337 12.937 -4.259 1.00 0.00 H new ATOM 77 N GLU A 6 -1.247 9.457 -7.627 1.00 0.00 N ATOM 78 CA GLU A 6 -1.614 8.368 -8.522 1.00 0.00 C ATOM 79 C GLU A 6 -2.904 7.687 -8.065 1.00 0.00 C ATOM 80 O GLU A 6 -3.020 7.246 -6.915 1.00 0.00 O ATOM 81 CB GLU A 6 -0.469 7.358 -8.594 1.00 0.00 C ATOM 82 CG GLU A 6 -0.729 6.187 -9.524 1.00 0.00 C ATOM 83 CD GLU A 6 0.447 5.239 -9.583 1.00 0.00 C ATOM 84 OE1 GLU A 6 0.750 4.596 -8.559 1.00 0.00 O ATOM 85 OE2 GLU A 6 1.096 5.153 -10.647 1.00 0.00 O ATOM 0 H GLU A 6 -0.395 9.286 -7.094 1.00 0.00 H new ATOM 0 HA GLU A 6 -1.794 8.779 -9.515 1.00 0.00 H new ATOM 0 HB2 GLU A 6 0.435 7.873 -8.920 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -0.274 6.975 -7.592 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -1.614 5.647 -9.188 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -0.945 6.560 -10.525 1.00 0.00 H new ATOM 92 N VAL A 7 -3.866 7.612 -8.975 1.00 0.00 N ATOM 93 CA VAL A 7 -5.157 7.002 -8.696 1.00 0.00 C ATOM 94 C VAL A 7 -5.474 5.936 -9.740 1.00 0.00 C ATOM 95 O VAL A 7 -5.623 6.242 -10.921 1.00 0.00 O ATOM 96 CB VAL A 7 -6.283 8.063 -8.694 1.00 0.00 C ATOM 97 CG1 VAL A 7 -7.644 7.409 -8.535 1.00 0.00 C ATOM 98 CG2 VAL A 7 -6.054 9.085 -7.594 1.00 0.00 C ATOM 0 H VAL A 7 -3.773 7.972 -9.925 1.00 0.00 H new ATOM 0 HA VAL A 7 -5.103 6.544 -7.709 1.00 0.00 H new ATOM 0 HB VAL A 7 -6.262 8.578 -9.655 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -8.419 8.176 -8.537 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -7.815 6.719 -9.361 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -7.677 6.862 -7.593 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -6.857 9.822 -7.610 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -6.042 8.582 -6.627 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -5.099 9.585 -7.755 1.00 0.00 H new ATOM 108 N LEU A 8 -5.560 4.687 -9.311 1.00 0.00 N ATOM 109 CA LEU A 8 -5.852 3.587 -10.219 1.00 0.00 C ATOM 110 C LEU A 8 -7.291 3.132 -10.035 1.00 0.00 C ATOM 111 O LEU A 8 -7.791 3.098 -8.915 1.00 0.00 O ATOM 112 CB LEU A 8 -4.919 2.404 -9.948 1.00 0.00 C ATOM 113 CG LEU A 8 -3.437 2.746 -9.804 1.00 0.00 C ATOM 114 CD1 LEU A 8 -2.632 1.503 -9.454 1.00 0.00 C ATOM 115 CD2 LEU A 8 -2.904 3.382 -11.076 1.00 0.00 C ATOM 0 H LEU A 8 -5.432 4.408 -8.338 1.00 0.00 H new ATOM 0 HA LEU A 8 -5.701 3.938 -11.240 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -5.248 1.907 -9.035 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -5.029 1.685 -10.760 1.00 0.00 H new ATOM 0 HG LEU A 8 -3.333 3.466 -8.992 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -1.579 1.767 -9.356 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -2.992 1.090 -8.512 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.748 0.760 -10.243 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -1.847 3.617 -10.950 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -3.025 2.688 -11.908 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -3.457 4.298 -11.284 1.00 0.00 H new ATOM 127 N TRP A 9 -7.963 2.793 -11.119 1.00 0.00 N ATOM 128 CA TRP A 9 -9.295 2.224 -11.008 1.00 0.00 C ATOM 129 C TRP A 9 -9.286 0.778 -11.471 1.00 0.00 C ATOM 130 O TRP A 9 -8.537 0.401 -12.378 1.00 0.00 O ATOM 131 CB TRP A 9 -10.336 3.035 -11.793 1.00 0.00 C ATOM 132 CG TRP A 9 -10.205 2.936 -13.285 1.00 0.00 C ATOM 133 CD1 TRP A 9 -9.249 3.518 -14.053 1.00 0.00 C ATOM 134 CD2 TRP A 9 -11.068 2.226 -14.183 1.00 0.00 C ATOM 135 NE1 TRP A 9 -9.455 3.216 -15.377 1.00 0.00 N ATOM 136 CE2 TRP A 9 -10.568 2.423 -15.484 1.00 0.00 C ATOM 137 CE3 TRP A 9 -12.212 1.440 -14.014 1.00 0.00 C ATOM 138 CZ2 TRP A 9 -11.173 1.865 -16.608 1.00 0.00 C ATOM 139 CZ3 TRP A 9 -12.813 0.887 -15.132 1.00 0.00 C ATOM 140 CH2 TRP A 9 -12.292 1.102 -16.416 1.00 0.00 C ATOM 0 H TRP A 9 -7.617 2.899 -12.073 1.00 0.00 H new ATOM 0 HA TRP A 9 -9.583 2.262 -9.957 1.00 0.00 H new ATOM 0 HB2 TRP A 9 -11.332 2.699 -11.505 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -10.256 4.083 -11.503 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -8.443 4.130 -13.677 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -8.874 3.531 -16.154 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -12.620 1.267 -13.029 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -10.772 2.029 -17.597 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -13.698 0.280 -15.013 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -12.783 0.657 -17.269 1.00 0.00 H new ATOM 151 N ALA A 10 -10.098 -0.023 -10.820 1.00 0.00 N ATOM 152 CA ALA A 10 -10.229 -1.428 -11.147 1.00 0.00 C ATOM 153 C ALA A 10 -11.682 -1.751 -11.442 1.00 0.00 C ATOM 154 O ALA A 10 -12.577 -1.373 -10.685 1.00 0.00 O ATOM 155 CB ALA A 10 -9.705 -2.294 -10.007 1.00 0.00 C ATOM 0 H ALA A 10 -10.689 0.281 -10.046 1.00 0.00 H new ATOM 0 HA ALA A 10 -9.633 -1.643 -12.034 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -9.812 -3.346 -10.271 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -8.653 -2.068 -9.833 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -10.275 -2.087 -9.101 1.00 0.00 H new ATOM 161 N GLN A 11 -11.916 -2.458 -12.532 1.00 0.00 N ATOM 162 CA GLN A 11 -13.268 -2.727 -12.983 1.00 0.00 C ATOM 163 C GLN A 11 -13.722 -4.098 -12.504 1.00 0.00 C ATOM 164 O GLN A 11 -12.960 -5.064 -12.547 1.00 0.00 O ATOM 165 CB GLN A 11 -13.328 -2.666 -14.513 1.00 0.00 C ATOM 166 CG GLN A 11 -14.712 -2.927 -15.092 1.00 0.00 C ATOM 167 CD GLN A 11 -15.685 -1.794 -14.827 1.00 0.00 C ATOM 168 OE1 GLN A 11 -16.375 -1.769 -13.809 1.00 0.00 O ATOM 169 NE2 GLN A 11 -15.764 -0.860 -15.757 1.00 0.00 N ATOM 0 H GLN A 11 -11.186 -2.857 -13.122 1.00 0.00 H new ATOM 0 HA GLN A 11 -13.933 -1.971 -12.566 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -12.988 -1.683 -14.840 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -12.631 -3.397 -14.923 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -14.627 -3.082 -16.168 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -15.110 -3.848 -14.667 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -15.175 -0.916 -16.588 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -16.414 -0.082 -15.645 1.00 0.00 H new ATOM 178 N ARG A 12 -14.949 -4.166 -12.009 1.00 0.00 N ATOM 179 CA ARG A 12 -15.572 -5.432 -11.675 1.00 0.00 C ATOM 180 C ARG A 12 -16.932 -5.481 -12.363 1.00 0.00 C ATOM 181 O ARG A 12 -17.396 -4.467 -12.886 1.00 0.00 O ATOM 182 CB ARG A 12 -15.729 -5.581 -10.156 1.00 0.00 C ATOM 183 CG ARG A 12 -15.503 -6.995 -9.645 1.00 0.00 C ATOM 184 CD ARG A 12 -14.043 -7.402 -9.782 1.00 0.00 C ATOM 185 NE ARG A 12 -13.804 -8.775 -9.338 1.00 0.00 N ATOM 186 CZ ARG A 12 -12.600 -9.349 -9.303 1.00 0.00 C ATOM 187 NH1 ARG A 12 -11.511 -8.656 -9.621 1.00 0.00 N ATOM 188 NH2 ARG A 12 -12.482 -10.614 -8.930 1.00 0.00 N ATOM 0 H ARG A 12 -15.535 -3.350 -11.830 1.00 0.00 H new ATOM 0 HA ARG A 12 -14.946 -6.256 -12.017 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -15.026 -4.911 -9.661 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -16.731 -5.259 -9.872 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -15.805 -7.059 -8.600 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -16.131 -7.691 -10.202 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -13.736 -7.301 -10.823 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -13.422 -6.721 -9.199 1.00 0.00 H new ATOM 0 HE ARG A 12 -14.607 -9.327 -9.037 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -11.592 -7.677 -9.895 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -10.595 -9.104 -9.591 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -13.311 -11.148 -8.670 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -11.562 -11.054 -8.903 1.00 0.00 H new ATOM 202 N SER A 13 -17.566 -6.637 -12.371 1.00 0.00 N ATOM 203 CA SER A 13 -18.842 -6.790 -13.053 1.00 0.00 C ATOM 204 C SER A 13 -19.931 -5.980 -12.345 1.00 0.00 C ATOM 205 O SER A 13 -20.673 -5.225 -12.982 1.00 0.00 O ATOM 206 CB SER A 13 -19.223 -8.277 -13.125 1.00 0.00 C ATOM 207 OG SER A 13 -20.367 -8.491 -13.937 1.00 0.00 O ATOM 0 H SER A 13 -17.223 -7.483 -11.916 1.00 0.00 H new ATOM 0 HA SER A 13 -18.747 -6.407 -14.069 1.00 0.00 H new ATOM 0 HB2 SER A 13 -18.384 -8.848 -13.522 1.00 0.00 H new ATOM 0 HB3 SER A 13 -19.416 -8.651 -12.120 1.00 0.00 H new ATOM 0 HG SER A 13 -20.577 -9.448 -13.960 1.00 0.00 H new ATOM 213 N ASP A 14 -19.991 -6.110 -11.025 1.00 0.00 N ATOM 214 CA ASP A 14 -21.059 -5.513 -10.230 1.00 0.00 C ATOM 215 C ASP A 14 -20.614 -4.229 -9.530 1.00 0.00 C ATOM 216 O ASP A 14 -21.439 -3.388 -9.181 1.00 0.00 O ATOM 217 CB ASP A 14 -21.534 -6.517 -9.179 1.00 0.00 C ATOM 218 CG ASP A 14 -20.454 -6.842 -8.159 1.00 0.00 C ATOM 219 OD1 ASP A 14 -19.380 -7.348 -8.559 1.00 0.00 O ATOM 220 OD2 ASP A 14 -20.662 -6.577 -6.957 1.00 0.00 O ATOM 0 H ASP A 14 -19.305 -6.629 -10.477 1.00 0.00 H new ATOM 0 HA ASP A 14 -21.869 -5.256 -10.913 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -22.407 -6.115 -8.665 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -21.851 -7.435 -9.674 1.00 0.00 H new ATOM 225 N LYS A 15 -19.315 -4.076 -9.320 1.00 0.00 N ATOM 226 CA LYS A 15 -18.803 -2.952 -8.547 1.00 0.00 C ATOM 227 C LYS A 15 -17.503 -2.415 -9.131 1.00 0.00 C ATOM 228 O LYS A 15 -17.015 -2.908 -10.147 1.00 0.00 O ATOM 229 CB LYS A 15 -18.603 -3.365 -7.081 1.00 0.00 C ATOM 230 CG LYS A 15 -17.949 -4.726 -6.903 1.00 0.00 C ATOM 231 CD LYS A 15 -17.751 -5.068 -5.434 1.00 0.00 C ATOM 232 CE LYS A 15 -17.439 -6.546 -5.244 1.00 0.00 C ATOM 233 NZ LYS A 15 -18.646 -7.395 -5.433 1.00 0.00 N ATOM 0 H LYS A 15 -18.599 -4.712 -9.671 1.00 0.00 H new ATOM 0 HA LYS A 15 -19.540 -2.150 -8.594 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -17.992 -2.612 -6.583 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -19.572 -3.371 -6.581 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -18.566 -5.491 -7.375 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -16.985 -4.736 -7.412 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -16.938 -4.468 -5.026 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -18.650 -4.810 -4.874 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -16.668 -6.848 -5.952 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -17.035 -6.706 -4.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -18.928 -7.806 -4.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -19.424 -6.814 -5.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -18.431 -8.159 -6.105 1.00 0.00 H new ATOM 247 N VAL A 16 -16.968 -1.381 -8.500 1.00 0.00 N ATOM 248 CA VAL A 16 -15.711 -0.792 -8.922 1.00 0.00 C ATOM 249 C VAL A 16 -14.803 -0.552 -7.721 1.00 0.00 C ATOM 250 O VAL A 16 -15.267 -0.185 -6.638 1.00 0.00 O ATOM 251 CB VAL A 16 -15.930 0.536 -9.694 1.00 0.00 C ATOM 252 CG1 VAL A 16 -16.722 1.531 -8.856 1.00 0.00 C ATOM 253 CG2 VAL A 16 -14.601 1.138 -10.133 1.00 0.00 C ATOM 0 H VAL A 16 -17.390 -0.931 -7.688 1.00 0.00 H new ATOM 0 HA VAL A 16 -15.231 -1.499 -9.599 1.00 0.00 H new ATOM 0 HB VAL A 16 -16.511 0.309 -10.588 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -16.861 2.453 -9.421 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -17.695 1.106 -8.610 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -16.177 1.747 -7.937 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -14.783 2.068 -10.672 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -13.986 1.341 -9.256 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -14.082 0.436 -10.786 1.00 0.00 H new ATOM 263 N TYR A 17 -13.516 -0.800 -7.905 1.00 0.00 N ATOM 264 CA TYR A 17 -12.535 -0.542 -6.871 1.00 0.00 C ATOM 265 C TYR A 17 -11.671 0.648 -7.259 1.00 0.00 C ATOM 266 O TYR A 17 -11.217 0.754 -8.397 1.00 0.00 O ATOM 267 CB TYR A 17 -11.655 -1.774 -6.629 1.00 0.00 C ATOM 268 CG TYR A 17 -12.387 -2.939 -6.002 1.00 0.00 C ATOM 269 CD1 TYR A 17 -13.359 -2.728 -5.032 1.00 0.00 C ATOM 270 CD2 TYR A 17 -12.099 -4.248 -6.367 1.00 0.00 C ATOM 271 CE1 TYR A 17 -14.025 -3.788 -4.446 1.00 0.00 C ATOM 272 CE2 TYR A 17 -12.761 -5.313 -5.787 1.00 0.00 C ATOM 273 CZ TYR A 17 -13.724 -5.077 -4.827 1.00 0.00 C ATOM 274 OH TYR A 17 -14.386 -6.137 -4.243 1.00 0.00 O ATOM 0 H TYR A 17 -13.128 -1.182 -8.767 1.00 0.00 H new ATOM 0 HA TYR A 17 -13.065 -0.315 -5.946 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -11.228 -2.095 -7.579 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -10.822 -1.492 -5.985 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -13.598 -1.719 -4.731 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -11.345 -4.436 -7.117 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -14.778 -3.606 -3.693 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -12.526 -6.325 -6.083 1.00 0.00 H new ATOM 0 HH TYR A 17 -14.057 -6.978 -4.624 1.00 0.00 H new ATOM 284 N LEU A 18 -11.450 1.536 -6.309 1.00 0.00 N ATOM 285 CA LEU A 18 -10.627 2.709 -6.540 1.00 0.00 C ATOM 286 C LEU A 18 -9.383 2.611 -5.669 1.00 0.00 C ATOM 287 O LEU A 18 -9.478 2.552 -4.447 1.00 0.00 O ATOM 288 CB LEU A 18 -11.429 3.980 -6.215 1.00 0.00 C ATOM 289 CG LEU A 18 -10.893 5.297 -6.797 1.00 0.00 C ATOM 290 CD1 LEU A 18 -9.632 5.749 -6.077 1.00 0.00 C ATOM 291 CD2 LEU A 18 -10.634 5.150 -8.290 1.00 0.00 C ATOM 0 H LEU A 18 -11.831 1.467 -5.365 1.00 0.00 H new ATOM 0 HA LEU A 18 -10.326 2.760 -7.586 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -12.449 3.840 -6.572 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -11.481 4.082 -5.131 1.00 0.00 H new ATOM 0 HG LEU A 18 -11.653 6.064 -6.647 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -9.279 6.683 -6.513 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -9.851 5.902 -5.020 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -8.861 4.986 -6.181 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -10.255 6.091 -8.688 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -9.898 4.363 -8.456 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -11.563 4.890 -8.797 1.00 0.00 H new ATOM 303 N THR A 19 -8.227 2.575 -6.306 1.00 0.00 N ATOM 304 CA THR A 19 -6.974 2.369 -5.612 1.00 0.00 C ATOM 305 C THR A 19 -6.125 3.631 -5.656 1.00 0.00 C ATOM 306 O THR A 19 -5.518 3.944 -6.677 1.00 0.00 O ATOM 307 CB THR A 19 -6.198 1.206 -6.254 1.00 0.00 C ATOM 308 OG1 THR A 19 -7.056 0.061 -6.352 1.00 0.00 O ATOM 309 CG2 THR A 19 -4.959 0.856 -5.450 1.00 0.00 C ATOM 0 H THR A 19 -8.133 2.688 -7.315 1.00 0.00 H new ATOM 0 HA THR A 19 -7.195 2.127 -4.572 1.00 0.00 H new ATOM 0 HB THR A 19 -5.874 1.515 -7.248 1.00 0.00 H new ATOM 0 HG1 THR A 19 -7.290 -0.093 -7.291 1.00 0.00 H new ATOM 0 HG21 THR A 19 -4.434 0.031 -5.931 1.00 0.00 H new ATOM 0 HG22 THR A 19 -4.301 1.724 -5.399 1.00 0.00 H new ATOM 0 HG23 THR A 19 -5.251 0.562 -4.442 1.00 0.00 H new ATOM 317 N VAL A 20 -6.099 4.362 -4.563 1.00 0.00 N ATOM 318 CA VAL A 20 -5.309 5.576 -4.499 1.00 0.00 C ATOM 319 C VAL A 20 -4.027 5.335 -3.714 1.00 0.00 C ATOM 320 O VAL A 20 -4.022 4.587 -2.728 1.00 0.00 O ATOM 321 CB VAL A 20 -6.109 6.744 -3.874 1.00 0.00 C ATOM 322 CG1 VAL A 20 -6.460 6.462 -2.423 1.00 0.00 C ATOM 323 CG2 VAL A 20 -5.341 8.048 -4.000 1.00 0.00 C ATOM 0 H VAL A 20 -6.612 4.140 -3.710 1.00 0.00 H new ATOM 0 HA VAL A 20 -5.053 5.857 -5.520 1.00 0.00 H new ATOM 0 HB VAL A 20 -7.044 6.840 -4.427 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -7.021 7.302 -2.015 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -7.066 5.558 -2.364 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -5.545 6.323 -1.848 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -5.921 8.856 -3.554 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -4.386 7.959 -3.483 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -5.164 8.266 -5.053 1.00 0.00 H new ATOM 333 N ALA A 21 -2.939 5.950 -4.161 1.00 0.00 N ATOM 334 CA ALA A 21 -1.676 5.841 -3.462 1.00 0.00 C ATOM 335 C ALA A 21 -1.712 6.708 -2.216 1.00 0.00 C ATOM 336 O ALA A 21 -1.449 7.911 -2.259 1.00 0.00 O ATOM 337 CB ALA A 21 -0.524 6.237 -4.371 1.00 0.00 C ATOM 0 H ALA A 21 -2.911 6.526 -5.002 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.518 4.804 -3.164 1.00 0.00 H new ATOM 0 HB1 ALA A 21 0.416 6.148 -3.827 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -0.504 5.579 -5.240 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.657 7.268 -4.699 1.00 0.00 H new ATOM 343 N LEU A 22 -2.066 6.079 -1.107 1.00 0.00 N ATOM 344 CA LEU A 22 -2.294 6.785 0.135 1.00 0.00 C ATOM 345 C LEU A 22 -1.754 5.954 1.298 1.00 0.00 C ATOM 346 O LEU A 22 -2.370 4.975 1.711 1.00 0.00 O ATOM 347 CB LEU A 22 -3.801 7.048 0.284 1.00 0.00 C ATOM 348 CG LEU A 22 -4.199 8.220 1.183 1.00 0.00 C ATOM 349 CD1 LEU A 22 -5.662 8.575 0.970 1.00 0.00 C ATOM 350 CD2 LEU A 22 -3.952 7.895 2.644 1.00 0.00 C ATOM 0 H LEU A 22 -2.202 5.070 -1.046 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.772 7.742 0.135 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.218 7.221 -0.708 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.269 6.144 0.673 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.581 9.076 0.913 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -5.931 9.411 1.616 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -5.820 8.856 -0.071 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -6.284 7.714 1.212 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -4.244 8.745 3.260 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.541 7.023 2.927 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.894 7.683 2.796 1.00 0.00 H new ATOM 362 N PRO A 23 -0.578 6.331 1.822 1.00 0.00 N ATOM 363 CA PRO A 23 0.110 5.562 2.862 1.00 0.00 C ATOM 364 C PRO A 23 -0.455 5.768 4.270 1.00 0.00 C ATOM 365 O PRO A 23 -0.422 4.856 5.096 1.00 0.00 O ATOM 366 CB PRO A 23 1.542 6.083 2.777 1.00 0.00 C ATOM 367 CG PRO A 23 1.419 7.482 2.276 1.00 0.00 C ATOM 368 CD PRO A 23 0.182 7.528 1.418 1.00 0.00 C ATOM 0 HA PRO A 23 0.003 4.490 2.697 1.00 0.00 H new ATOM 0 HB2 PRO A 23 2.030 6.055 3.751 1.00 0.00 H new ATOM 0 HB3 PRO A 23 2.143 5.474 2.102 1.00 0.00 H new ATOM 0 HG2 PRO A 23 1.341 8.185 3.106 1.00 0.00 H new ATOM 0 HG3 PRO A 23 2.300 7.766 1.700 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -0.389 8.440 1.590 1.00 0.00 H new ATOM 0 HD3 PRO A 23 0.431 7.503 0.357 1.00 0.00 H new ATOM 376 N ASP A 24 -0.960 6.960 4.548 1.00 0.00 N ATOM 377 CA ASP A 24 -1.470 7.281 5.879 1.00 0.00 C ATOM 378 C ASP A 24 -2.739 8.111 5.776 1.00 0.00 C ATOM 379 O ASP A 24 -2.717 9.233 5.260 1.00 0.00 O ATOM 380 CB ASP A 24 -0.414 8.028 6.690 1.00 0.00 C ATOM 381 CG ASP A 24 -0.877 8.337 8.097 1.00 0.00 C ATOM 382 OD1 ASP A 24 -1.486 9.405 8.306 1.00 0.00 O ATOM 383 OD2 ASP A 24 -0.629 7.509 9.000 1.00 0.00 O ATOM 0 H ASP A 24 -1.029 7.722 3.874 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.705 6.348 6.391 1.00 0.00 H new ATOM 0 HB2 ASP A 24 0.496 7.430 6.733 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -0.161 8.958 6.182 1.00 0.00 H new ATOM 388 N ALA A 25 -3.836 7.561 6.274 1.00 0.00 N ATOM 389 CA ALA A 25 -5.152 8.135 6.048 1.00 0.00 C ATOM 390 C ALA A 25 -5.782 8.687 7.320 1.00 0.00 C ATOM 391 O ALA A 25 -5.842 8.003 8.345 1.00 0.00 O ATOM 392 CB ALA A 25 -6.064 7.082 5.448 1.00 0.00 C ATOM 0 H ALA A 25 -3.839 6.713 6.840 1.00 0.00 H new ATOM 0 HA ALA A 25 -5.026 8.973 5.362 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.052 7.510 5.278 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -5.649 6.739 4.500 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -6.148 6.239 6.134 1.00 0.00 H new ATOM 398 N LYS A 26 -6.239 9.933 7.240 1.00 0.00 N ATOM 399 CA LYS A 26 -7.067 10.537 8.276 1.00 0.00 C ATOM 400 C LYS A 26 -8.127 11.411 7.621 1.00 0.00 C ATOM 401 O LYS A 26 -7.924 11.878 6.501 1.00 0.00 O ATOM 402 CB LYS A 26 -6.236 11.393 9.235 1.00 0.00 C ATOM 403 CG LYS A 26 -5.122 10.642 9.937 1.00 0.00 C ATOM 404 CD LYS A 26 -4.623 11.401 11.153 1.00 0.00 C ATOM 405 CE LYS A 26 -4.102 12.784 10.796 1.00 0.00 C ATOM 406 NZ LYS A 26 -2.883 12.724 9.951 1.00 0.00 N ATOM 0 H LYS A 26 -6.045 10.552 6.453 1.00 0.00 H new ATOM 0 HA LYS A 26 -7.530 9.735 8.850 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -5.803 12.225 8.679 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -6.898 11.823 9.987 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -5.480 9.659 10.242 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -4.297 10.480 9.243 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -5.432 11.496 11.877 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -3.830 10.830 11.635 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -4.879 13.338 10.270 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -3.881 13.334 11.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -2.199 13.436 10.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -2.458 11.778 10.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -3.137 12.916 8.961 1.00 0.00 H new ATOM 420 N ASP A 27 -9.248 11.609 8.315 1.00 0.00 N ATOM 421 CA ASP A 27 -10.336 12.479 7.839 1.00 0.00 C ATOM 422 C ASP A 27 -10.651 12.224 6.368 1.00 0.00 C ATOM 423 O ASP A 27 -10.451 13.084 5.508 1.00 0.00 O ATOM 424 CB ASP A 27 -9.983 13.957 8.070 1.00 0.00 C ATOM 425 CG ASP A 27 -11.077 14.920 7.628 1.00 0.00 C ATOM 426 OD1 ASP A 27 -12.266 14.677 7.947 1.00 0.00 O ATOM 427 OD2 ASP A 27 -10.749 15.942 6.986 1.00 0.00 O ATOM 0 H ASP A 27 -9.432 11.175 9.220 1.00 0.00 H new ATOM 0 HA ASP A 27 -11.230 12.240 8.414 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -9.780 14.112 9.130 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -9.065 14.191 7.532 1.00 0.00 H new ATOM 432 N ILE A 28 -11.101 11.018 6.078 1.00 0.00 N ATOM 433 CA ILE A 28 -11.477 10.665 4.725 1.00 0.00 C ATOM 434 C ILE A 28 -12.985 10.552 4.612 1.00 0.00 C ATOM 435 O ILE A 28 -13.594 9.607 5.123 1.00 0.00 O ATOM 436 CB ILE A 28 -10.839 9.337 4.267 1.00 0.00 C ATOM 437 CG1 ILE A 28 -9.313 9.464 4.226 1.00 0.00 C ATOM 438 CG2 ILE A 28 -11.377 8.925 2.900 1.00 0.00 C ATOM 439 CD1 ILE A 28 -8.626 8.270 3.601 1.00 0.00 C ATOM 0 H ILE A 28 -11.214 10.269 6.761 1.00 0.00 H new ATOM 0 HA ILE A 28 -11.108 11.460 4.077 1.00 0.00 H new ATOM 0 HB ILE A 28 -11.104 8.562 4.987 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -9.046 10.361 3.667 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -8.940 9.598 5.241 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -10.915 7.986 2.595 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -12.458 8.795 2.958 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -11.143 9.699 2.169 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -7.547 8.428 3.605 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -8.864 7.373 4.173 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -8.971 8.148 2.574 1.00 0.00 H new ATOM 451 N SER A 29 -13.586 11.525 3.961 1.00 0.00 N ATOM 452 CA SER A 29 -14.994 11.474 3.656 1.00 0.00 C ATOM 453 C SER A 29 -15.168 11.325 2.155 1.00 0.00 C ATOM 454 O SER A 29 -14.856 12.240 1.391 1.00 0.00 O ATOM 455 CB SER A 29 -15.688 12.746 4.152 1.00 0.00 C ATOM 456 OG SER A 29 -15.480 12.937 5.542 1.00 0.00 O ATOM 0 H SER A 29 -13.114 12.367 3.632 1.00 0.00 H new ATOM 0 HA SER A 29 -15.448 10.621 4.160 1.00 0.00 H new ATOM 0 HB2 SER A 29 -15.308 13.608 3.603 1.00 0.00 H new ATOM 0 HB3 SER A 29 -16.757 12.683 3.947 1.00 0.00 H new ATOM 0 HG SER A 29 -15.933 13.757 5.831 1.00 0.00 H new ATOM 462 N VAL A 30 -15.649 10.173 1.728 1.00 0.00 N ATOM 463 CA VAL A 30 -15.889 9.951 0.319 1.00 0.00 C ATOM 464 C VAL A 30 -17.365 10.147 0.012 1.00 0.00 C ATOM 465 O VAL A 30 -18.230 9.426 0.522 1.00 0.00 O ATOM 466 CB VAL A 30 -15.394 8.556 -0.144 1.00 0.00 C ATOM 467 CG1 VAL A 30 -15.944 7.441 0.727 1.00 0.00 C ATOM 468 CG2 VAL A 30 -15.743 8.317 -1.607 1.00 0.00 C ATOM 0 H VAL A 30 -15.879 9.384 2.332 1.00 0.00 H new ATOM 0 HA VAL A 30 -15.312 10.684 -0.244 1.00 0.00 H new ATOM 0 HB VAL A 30 -14.309 8.546 -0.039 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -15.572 6.481 0.368 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -15.622 7.592 1.757 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -17.033 7.448 0.682 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -15.386 7.333 -1.910 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -16.824 8.367 -1.736 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -15.269 9.080 -2.224 1.00 0.00 H new ATOM 478 N LYS A 31 -17.647 11.156 -0.790 1.00 0.00 N ATOM 479 CA LYS A 31 -19.010 11.485 -1.139 1.00 0.00 C ATOM 480 C LYS A 31 -19.250 11.165 -2.598 1.00 0.00 C ATOM 481 O LYS A 31 -18.663 11.793 -3.478 1.00 0.00 O ATOM 482 CB LYS A 31 -19.288 12.966 -0.874 1.00 0.00 C ATOM 483 CG LYS A 31 -19.010 13.397 0.560 1.00 0.00 C ATOM 484 CD LYS A 31 -19.884 12.647 1.555 1.00 0.00 C ATOM 485 CE LYS A 31 -21.355 12.983 1.367 1.00 0.00 C ATOM 486 NZ LYS A 31 -21.628 14.425 1.599 1.00 0.00 N ATOM 0 H LYS A 31 -16.944 11.763 -1.212 1.00 0.00 H new ATOM 0 HA LYS A 31 -19.686 10.892 -0.523 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -18.678 13.567 -1.549 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -20.330 13.179 -1.112 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -17.960 13.223 0.795 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -19.185 14.468 0.658 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -19.736 11.574 1.434 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -19.579 12.898 2.571 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -21.663 12.713 0.357 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -21.955 12.385 2.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -22.651 14.571 1.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -21.136 14.737 2.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -21.288 14.978 0.786 1.00 0.00 H new ATOM 500 N CYS A 32 -20.093 10.171 -2.839 1.00 0.00 N ATOM 501 CA CYS A 32 -20.463 9.776 -4.189 1.00 0.00 C ATOM 502 C CYS A 32 -21.966 9.947 -4.383 1.00 0.00 C ATOM 503 O CYS A 32 -22.758 9.567 -3.519 1.00 0.00 O ATOM 504 CB CYS A 32 -20.053 8.326 -4.447 1.00 0.00 C ATOM 505 SG CYS A 32 -18.280 8.030 -4.260 1.00 0.00 S ATOM 0 H CYS A 32 -20.538 9.618 -2.107 1.00 0.00 H new ATOM 0 HA CYS A 32 -19.941 10.413 -4.902 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -20.596 7.676 -3.760 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -20.355 8.046 -5.456 1.00 0.00 H new ATOM 0 HG CYS A 32 -17.916 7.064 -5.050 1.00 0.00 H new ATOM 511 N GLU A 33 -22.354 10.534 -5.506 1.00 0.00 N ATOM 512 CA GLU A 33 -23.743 10.824 -5.777 1.00 0.00 C ATOM 513 C GLU A 33 -24.216 9.803 -6.813 1.00 0.00 C ATOM 514 O GLU A 33 -23.370 9.184 -7.449 1.00 0.00 O ATOM 515 CB GLU A 33 -23.804 12.278 -6.270 1.00 0.00 C ATOM 516 CG GLU A 33 -24.930 13.130 -5.709 1.00 0.00 C ATOM 517 CD GLU A 33 -26.056 13.358 -6.696 1.00 0.00 C ATOM 518 OE1 GLU A 33 -25.772 13.553 -7.897 1.00 0.00 O ATOM 519 OE2 GLU A 33 -27.230 13.345 -6.274 1.00 0.00 O ATOM 0 H GLU A 33 -21.714 10.819 -6.247 1.00 0.00 H new ATOM 0 HA GLU A 33 -24.398 10.741 -4.910 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -22.857 12.761 -6.030 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -23.891 12.268 -7.357 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -25.330 12.649 -4.816 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -24.527 14.094 -5.399 1.00 0.00 H new ATOM 526 N PRO A 34 -25.535 9.566 -6.966 1.00 0.00 N ATOM 527 CA PRO A 34 -26.077 8.580 -7.933 1.00 0.00 C ATOM 528 C PRO A 34 -25.507 8.702 -9.357 1.00 0.00 C ATOM 529 O PRO A 34 -25.703 7.811 -10.185 1.00 0.00 O ATOM 530 CB PRO A 34 -27.572 8.895 -7.942 1.00 0.00 C ATOM 531 CG PRO A 34 -27.846 9.428 -6.582 1.00 0.00 C ATOM 532 CD PRO A 34 -26.615 10.193 -6.179 1.00 0.00 C ATOM 0 HA PRO A 34 -25.818 7.564 -7.634 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -27.819 9.625 -8.712 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -28.165 8.003 -8.146 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -28.723 10.075 -6.586 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -28.050 8.619 -5.880 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -26.711 11.254 -6.407 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -26.427 10.113 -5.108 1.00 0.00 H new ATOM 540 N GLN A 35 -24.798 9.790 -9.624 1.00 0.00 N ATOM 541 CA GLN A 35 -24.209 10.039 -10.937 1.00 0.00 C ATOM 542 C GLN A 35 -22.746 10.479 -10.805 1.00 0.00 C ATOM 543 O GLN A 35 -22.124 10.920 -11.771 1.00 0.00 O ATOM 544 CB GLN A 35 -25.016 11.111 -11.663 1.00 0.00 C ATOM 545 CG GLN A 35 -25.170 12.385 -10.851 1.00 0.00 C ATOM 546 CD GLN A 35 -26.095 13.390 -11.498 1.00 0.00 C ATOM 547 OE1 GLN A 35 -26.195 13.468 -12.725 1.00 0.00 O ATOM 548 NE2 GLN A 35 -26.778 14.162 -10.674 1.00 0.00 N ATOM 0 H GLN A 35 -24.614 10.524 -8.940 1.00 0.00 H new ATOM 0 HA GLN A 35 -24.234 9.114 -11.512 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -24.530 11.346 -12.610 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -26.004 10.716 -11.901 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -25.550 12.134 -9.861 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -24.190 12.840 -10.710 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -26.662 14.060 -9.666 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -27.422 14.860 -11.045 1.00 0.00 H new ATOM 557 N GLY A 36 -22.203 10.352 -9.604 1.00 0.00 N ATOM 558 CA GLY A 36 -20.838 10.768 -9.356 1.00 0.00 C ATOM 559 C GLY A 36 -20.767 11.839 -8.295 1.00 0.00 C ATOM 560 O GLY A 36 -21.694 12.616 -8.146 1.00 0.00 O ATOM 0 H GLY A 36 -22.686 9.966 -8.793 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -20.246 9.907 -9.045 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -20.397 11.141 -10.280 1.00 0.00 H new ATOM 564 N LEU A 37 -19.738 11.803 -7.469 1.00 0.00 N ATOM 565 CA LEU A 37 -19.495 12.867 -6.506 1.00 0.00 C ATOM 566 C LEU A 37 -18.020 12.872 -6.091 1.00 0.00 C ATOM 567 O LEU A 37 -17.233 12.056 -6.575 1.00 0.00 O ATOM 568 CB LEU A 37 -20.458 12.820 -5.322 1.00 0.00 C ATOM 569 CG LEU A 37 -20.950 14.178 -4.819 1.00 0.00 C ATOM 570 CD1 LEU A 37 -21.604 14.990 -5.928 1.00 0.00 C ATOM 571 CD2 LEU A 37 -21.901 14.001 -3.645 1.00 0.00 C ATOM 0 H LEU A 37 -19.054 11.047 -7.444 1.00 0.00 H new ATOM 0 HA LEU A 37 -19.703 13.821 -6.990 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -21.324 12.221 -5.604 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -19.968 12.303 -4.497 1.00 0.00 H new ATOM 0 HG LEU A 37 -20.078 14.738 -4.479 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -21.939 15.947 -5.529 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -20.882 15.163 -6.726 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -22.459 14.442 -6.324 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -22.240 14.978 -3.301 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -22.760 13.408 -3.959 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -21.385 13.490 -2.833 1.00 0.00 H new ATOM 583 N PHE A 38 -17.650 13.790 -5.210 1.00 0.00 N ATOM 584 CA PHE A 38 -16.246 14.075 -4.936 1.00 0.00 C ATOM 585 C PHE A 38 -15.832 13.551 -3.560 1.00 0.00 C ATOM 586 O PHE A 38 -16.643 13.476 -2.637 1.00 0.00 O ATOM 587 CB PHE A 38 -15.978 15.585 -5.024 1.00 0.00 C ATOM 588 CG PHE A 38 -16.694 16.405 -3.986 1.00 0.00 C ATOM 589 CD1 PHE A 38 -18.012 16.790 -4.172 1.00 0.00 C ATOM 590 CD2 PHE A 38 -16.045 16.795 -2.826 1.00 0.00 C ATOM 591 CE1 PHE A 38 -18.669 17.546 -3.222 1.00 0.00 C ATOM 592 CE2 PHE A 38 -16.697 17.550 -1.870 1.00 0.00 C ATOM 593 CZ PHE A 38 -18.011 17.926 -2.069 1.00 0.00 C ATOM 0 H PHE A 38 -18.306 14.354 -4.669 1.00 0.00 H new ATOM 0 HA PHE A 38 -15.650 13.562 -5.690 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -14.906 15.757 -4.930 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -16.271 15.937 -6.013 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -18.532 16.495 -5.072 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -15.017 16.505 -2.667 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -19.696 17.840 -3.380 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -16.180 17.846 -0.969 1.00 0.00 H new ATOM 0 HZ PHE A 38 -18.523 18.516 -1.324 1.00 0.00 H new ATOM 603 N SER A 39 -14.563 13.202 -3.424 1.00 0.00 N ATOM 604 CA SER A 39 -14.049 12.684 -2.168 1.00 0.00 C ATOM 605 C SER A 39 -13.077 13.677 -1.535 1.00 0.00 C ATOM 606 O SER A 39 -12.328 14.360 -2.239 1.00 0.00 O ATOM 607 CB SER A 39 -13.361 11.334 -2.401 1.00 0.00 C ATOM 608 OG SER A 39 -12.925 10.752 -1.182 1.00 0.00 O ATOM 0 H SER A 39 -13.870 13.268 -4.169 1.00 0.00 H new ATOM 0 HA SER A 39 -14.883 12.540 -1.481 1.00 0.00 H new ATOM 0 HB2 SER A 39 -14.051 10.655 -2.903 1.00 0.00 H new ATOM 0 HB3 SER A 39 -12.508 11.470 -3.066 1.00 0.00 H new ATOM 0 HG SER A 39 -12.492 9.892 -1.366 1.00 0.00 H new ATOM 614 N PHE A 40 -13.100 13.753 -0.209 1.00 0.00 N ATOM 615 CA PHE A 40 -12.225 14.650 0.535 1.00 0.00 C ATOM 616 C PHE A 40 -11.464 13.865 1.604 1.00 0.00 C ATOM 617 O PHE A 40 -12.060 13.301 2.519 1.00 0.00 O ATOM 618 CB PHE A 40 -13.049 15.774 1.172 1.00 0.00 C ATOM 619 CG PHE A 40 -12.230 16.830 1.861 1.00 0.00 C ATOM 620 CD1 PHE A 40 -11.003 17.220 1.351 1.00 0.00 C ATOM 621 CD2 PHE A 40 -12.701 17.447 3.009 1.00 0.00 C ATOM 622 CE1 PHE A 40 -10.257 18.203 1.973 1.00 0.00 C ATOM 623 CE2 PHE A 40 -11.960 18.428 3.638 1.00 0.00 C ATOM 624 CZ PHE A 40 -10.736 18.808 3.118 1.00 0.00 C ATOM 0 H PHE A 40 -13.723 13.197 0.378 1.00 0.00 H new ATOM 0 HA PHE A 40 -11.502 15.096 -0.147 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -13.654 16.248 0.399 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -13.739 15.338 1.894 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -10.624 16.750 0.456 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -13.658 17.157 3.416 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -9.302 18.497 1.564 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -12.336 18.898 4.535 1.00 0.00 H new ATOM 0 HZ PHE A 40 -10.156 19.577 3.607 1.00 0.00 H new ATOM 634 N SER A 41 -10.149 13.810 1.465 1.00 0.00 N ATOM 635 CA SER A 41 -9.312 13.018 2.355 1.00 0.00 C ATOM 636 C SER A 41 -8.141 13.840 2.899 1.00 0.00 C ATOM 637 O SER A 41 -7.821 14.906 2.371 1.00 0.00 O ATOM 638 CB SER A 41 -8.785 11.804 1.591 1.00 0.00 C ATOM 639 OG SER A 41 -9.851 11.103 0.973 1.00 0.00 O ATOM 0 H SER A 41 -9.634 14.308 0.739 1.00 0.00 H new ATOM 0 HA SER A 41 -9.914 12.696 3.205 1.00 0.00 H new ATOM 0 HB2 SER A 41 -8.068 12.126 0.836 1.00 0.00 H new ATOM 0 HB3 SER A 41 -8.253 11.141 2.273 1.00 0.00 H new ATOM 0 HG SER A 41 -9.496 10.330 0.487 1.00 0.00 H new ATOM 645 N ALA A 42 -7.517 13.359 3.965 1.00 0.00 N ATOM 646 CA ALA A 42 -6.314 13.990 4.494 1.00 0.00 C ATOM 647 C ALA A 42 -5.163 12.989 4.576 1.00 0.00 C ATOM 648 O ALA A 42 -5.323 11.875 5.082 1.00 0.00 O ATOM 649 CB ALA A 42 -6.581 14.606 5.859 1.00 0.00 C ATOM 0 H ALA A 42 -7.823 12.534 4.481 1.00 0.00 H new ATOM 0 HA ALA A 42 -6.026 14.787 3.808 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -5.669 15.071 6.233 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -7.363 15.360 5.771 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -6.903 13.829 6.552 1.00 0.00 H new ATOM 655 N LEU A 43 -4.004 13.394 4.069 1.00 0.00 N ATOM 656 CA LEU A 43 -2.821 12.548 4.066 1.00 0.00 C ATOM 657 C LEU A 43 -1.930 12.897 5.244 1.00 0.00 C ATOM 658 O LEU A 43 -1.293 13.955 5.257 1.00 0.00 O ATOM 659 CB LEU A 43 -2.008 12.738 2.784 1.00 0.00 C ATOM 660 CG LEU A 43 -2.809 12.788 1.483 1.00 0.00 C ATOM 661 CD1 LEU A 43 -1.886 13.052 0.305 1.00 0.00 C ATOM 662 CD2 LEU A 43 -3.574 11.494 1.276 1.00 0.00 C ATOM 0 H LEU A 43 -3.860 14.313 3.651 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.158 11.514 4.132 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.439 13.663 2.872 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.286 11.925 2.712 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.528 13.604 1.552 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.470 13.085 -0.615 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.379 14.006 0.447 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.146 12.254 0.237 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -4.138 11.550 0.345 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -2.873 10.661 1.227 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -4.262 11.341 2.108 1.00 0.00 H new ATOM 674 N GLY A 44 -1.859 12.004 6.211 1.00 0.00 N ATOM 675 CA GLY A 44 -1.068 12.261 7.396 1.00 0.00 C ATOM 676 C GLY A 44 0.415 12.093 7.142 1.00 0.00 C ATOM 677 O GLY A 44 1.237 12.793 7.731 1.00 0.00 O ATOM 0 H GLY A 44 -2.335 11.102 6.200 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -1.262 13.274 7.747 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -1.378 11.583 8.191 1.00 0.00 H new ATOM 681 N ALA A 45 0.748 11.179 6.243 1.00 0.00 N ATOM 682 CA ALA A 45 2.139 10.880 5.934 1.00 0.00 C ATOM 683 C ALA A 45 2.875 12.111 5.419 1.00 0.00 C ATOM 684 O ALA A 45 3.985 12.404 5.855 1.00 0.00 O ATOM 685 CB ALA A 45 2.220 9.753 4.917 1.00 0.00 C ATOM 0 H ALA A 45 0.072 10.630 5.713 1.00 0.00 H new ATOM 0 HA ALA A 45 2.626 10.564 6.857 1.00 0.00 H new ATOM 0 HB1 ALA A 45 3.265 9.539 4.694 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.745 8.860 5.324 1.00 0.00 H new ATOM 0 HB3 ALA A 45 1.708 10.051 4.002 1.00 0.00 H new ATOM 691 N GLN A 46 2.243 12.843 4.509 1.00 0.00 N ATOM 692 CA GLN A 46 2.880 14.013 3.913 1.00 0.00 C ATOM 693 C GLN A 46 2.392 15.299 4.572 1.00 0.00 C ATOM 694 O GLN A 46 3.013 16.353 4.428 1.00 0.00 O ATOM 695 CB GLN A 46 2.612 14.067 2.409 1.00 0.00 C ATOM 696 CG GLN A 46 3.066 12.823 1.667 1.00 0.00 C ATOM 697 CD GLN A 46 2.997 12.987 0.164 1.00 0.00 C ATOM 698 OE1 GLN A 46 3.967 13.398 -0.471 1.00 0.00 O ATOM 699 NE2 GLN A 46 1.849 12.675 -0.415 1.00 0.00 N ATOM 0 H GLN A 46 1.300 12.651 4.170 1.00 0.00 H new ATOM 0 HA GLN A 46 3.954 13.924 4.078 1.00 0.00 H new ATOM 0 HB2 GLN A 46 1.544 14.210 2.243 1.00 0.00 H new ATOM 0 HB3 GLN A 46 3.119 14.936 1.989 1.00 0.00 H new ATOM 0 HG2 GLN A 46 4.089 12.584 1.957 1.00 0.00 H new ATOM 0 HG3 GLN A 46 2.445 11.979 1.966 1.00 0.00 H new ATOM 0 HE21 GLN A 46 1.069 12.337 0.149 1.00 0.00 H new ATOM 0 HE22 GLN A 46 1.744 12.772 -1.425 1.00 0.00 H new ATOM 708 N GLY A 47 1.281 15.207 5.287 1.00 0.00 N ATOM 709 CA GLY A 47 0.720 16.372 5.944 1.00 0.00 C ATOM 710 C GLY A 47 -0.071 17.247 4.989 1.00 0.00 C ATOM 711 O GLY A 47 -0.201 18.454 5.199 1.00 0.00 O ATOM 0 H GLY A 47 0.755 14.344 5.425 1.00 0.00 H new ATOM 0 HA2 GLY A 47 0.072 16.050 6.759 1.00 0.00 H new ATOM 0 HA3 GLY A 47 1.524 16.958 6.389 1.00 0.00 H new ATOM 715 N GLU A 48 -0.597 16.635 3.938 1.00 0.00 N ATOM 716 CA GLU A 48 -1.349 17.361 2.921 1.00 0.00 C ATOM 717 C GLU A 48 -2.779 16.877 2.873 1.00 0.00 C ATOM 718 O GLU A 48 -3.099 15.810 3.379 1.00 0.00 O ATOM 719 CB GLU A 48 -0.720 17.202 1.541 1.00 0.00 C ATOM 720 CG GLU A 48 0.678 17.768 1.456 1.00 0.00 C ATOM 721 CD GLU A 48 1.268 17.646 0.069 1.00 0.00 C ATOM 722 OE1 GLU A 48 1.328 16.522 -0.461 1.00 0.00 O ATOM 723 OE2 GLU A 48 1.650 18.686 -0.506 1.00 0.00 O ATOM 0 H GLU A 48 -0.517 15.633 3.766 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.328 18.416 3.195 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -0.693 16.144 1.281 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.351 17.696 0.802 1.00 0.00 H new ATOM 0 HG2 GLU A 48 0.660 18.818 1.749 1.00 0.00 H new ATOM 0 HG3 GLU A 48 1.320 17.250 2.168 1.00 0.00 H new ATOM 730 N ARG A 49 -3.634 17.669 2.272 1.00 0.00 N ATOM 731 CA ARG A 49 -5.033 17.300 2.140 1.00 0.00 C ATOM 732 C ARG A 49 -5.315 16.881 0.704 1.00 0.00 C ATOM 733 O ARG A 49 -4.964 17.586 -0.234 1.00 0.00 O ATOM 734 CB ARG A 49 -5.939 18.455 2.571 1.00 0.00 C ATOM 735 CG ARG A 49 -5.547 19.047 3.919 1.00 0.00 C ATOM 736 CD ARG A 49 -6.625 19.955 4.486 1.00 0.00 C ATOM 737 NE ARG A 49 -7.788 19.198 4.948 1.00 0.00 N ATOM 738 CZ ARG A 49 -8.490 19.503 6.042 1.00 0.00 C ATOM 739 NH1 ARG A 49 -8.130 20.525 6.807 1.00 0.00 N ATOM 740 NH2 ARG A 49 -9.540 18.769 6.383 1.00 0.00 N ATOM 0 H ARG A 49 -3.392 18.573 1.866 1.00 0.00 H new ATOM 0 HA ARG A 49 -5.246 16.456 2.796 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -5.906 19.238 1.813 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -6.969 18.102 2.621 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -5.348 18.240 4.624 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -4.621 19.611 3.810 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -6.215 20.532 5.315 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -6.936 20.669 3.724 1.00 0.00 H new ATOM 0 HE ARG A 49 -8.080 18.388 4.401 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -7.313 21.083 6.561 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -8.671 20.753 7.641 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -9.812 17.971 5.809 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -10.076 19.003 7.219 1.00 0.00 H new ATOM 754 N PHE A 50 -5.948 15.734 0.544 1.00 0.00 N ATOM 755 CA PHE A 50 -6.116 15.112 -0.763 1.00 0.00 C ATOM 756 C PHE A 50 -7.580 15.108 -1.182 1.00 0.00 C ATOM 757 O PHE A 50 -8.463 14.866 -0.364 1.00 0.00 O ATOM 758 CB PHE A 50 -5.557 13.685 -0.696 1.00 0.00 C ATOM 759 CG PHE A 50 -6.111 12.720 -1.709 1.00 0.00 C ATOM 760 CD1 PHE A 50 -5.854 12.874 -3.058 1.00 0.00 C ATOM 761 CD2 PHE A 50 -6.883 11.647 -1.298 1.00 0.00 C ATOM 762 CE1 PHE A 50 -6.358 11.979 -3.980 1.00 0.00 C ATOM 763 CE2 PHE A 50 -7.391 10.750 -2.215 1.00 0.00 C ATOM 764 CZ PHE A 50 -7.127 10.916 -3.556 1.00 0.00 C ATOM 0 H PHE A 50 -6.361 15.205 1.313 1.00 0.00 H new ATOM 0 HA PHE A 50 -5.572 15.684 -1.515 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -4.475 13.732 -0.820 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -5.747 13.286 0.301 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -5.252 13.705 -3.395 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -7.090 11.510 -0.247 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -6.150 12.111 -5.032 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -7.995 9.919 -1.881 1.00 0.00 H new ATOM 0 HZ PHE A 50 -7.522 10.214 -4.275 1.00 0.00 H new ATOM 774 N GLU A 51 -7.839 15.376 -2.453 1.00 0.00 N ATOM 775 CA GLU A 51 -9.208 15.356 -2.953 1.00 0.00 C ATOM 776 C GLU A 51 -9.258 15.005 -4.433 1.00 0.00 C ATOM 777 O GLU A 51 -8.281 15.194 -5.162 1.00 0.00 O ATOM 778 CB GLU A 51 -9.907 16.698 -2.674 1.00 0.00 C ATOM 779 CG GLU A 51 -9.190 17.929 -3.216 1.00 0.00 C ATOM 780 CD GLU A 51 -9.406 18.145 -4.703 1.00 0.00 C ATOM 781 OE1 GLU A 51 -10.537 17.915 -5.185 1.00 0.00 O ATOM 782 OE2 GLU A 51 -8.455 18.572 -5.394 1.00 0.00 O ATOM 0 H GLU A 51 -7.131 15.607 -3.150 1.00 0.00 H new ATOM 0 HA GLU A 51 -9.747 14.574 -2.418 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -10.909 16.663 -3.102 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -10.024 16.811 -1.596 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -9.535 18.810 -2.674 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -8.122 17.834 -3.021 1.00 0.00 H new ATOM 789 N PHE A 52 -10.395 14.469 -4.860 1.00 0.00 N ATOM 790 CA PHE A 52 -10.620 14.129 -6.257 1.00 0.00 C ATOM 791 C PHE A 52 -12.115 13.973 -6.516 1.00 0.00 C ATOM 792 O PHE A 52 -12.848 13.436 -5.681 1.00 0.00 O ATOM 793 CB PHE A 52 -9.863 12.848 -6.649 1.00 0.00 C ATOM 794 CG PHE A 52 -10.340 11.595 -5.962 1.00 0.00 C ATOM 795 CD1 PHE A 52 -10.130 11.404 -4.606 1.00 0.00 C ATOM 796 CD2 PHE A 52 -10.988 10.601 -6.678 1.00 0.00 C ATOM 797 CE1 PHE A 52 -10.555 10.248 -3.979 1.00 0.00 C ATOM 798 CE2 PHE A 52 -11.417 9.444 -6.054 1.00 0.00 C ATOM 799 CZ PHE A 52 -11.200 9.268 -4.703 1.00 0.00 C ATOM 0 H PHE A 52 -11.184 14.259 -4.249 1.00 0.00 H new ATOM 0 HA PHE A 52 -10.234 14.939 -6.876 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -9.947 12.709 -7.727 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -8.805 12.986 -6.427 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -9.628 12.168 -4.032 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -11.160 10.732 -7.736 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -10.382 10.112 -2.922 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -11.922 8.678 -6.624 1.00 0.00 H new ATOM 0 HZ PHE A 52 -11.534 8.365 -4.214 1.00 0.00 H new ATOM 809 N SER A 53 -12.563 14.465 -7.658 1.00 0.00 N ATOM 810 CA SER A 53 -13.975 14.429 -8.006 1.00 0.00 C ATOM 811 C SER A 53 -14.227 13.414 -9.120 1.00 0.00 C ATOM 812 O SER A 53 -13.580 13.464 -10.168 1.00 0.00 O ATOM 813 CB SER A 53 -14.427 15.822 -8.450 1.00 0.00 C ATOM 814 OG SER A 53 -13.979 16.818 -7.541 1.00 0.00 O ATOM 0 H SER A 53 -11.967 14.897 -8.364 1.00 0.00 H new ATOM 0 HA SER A 53 -14.548 14.125 -7.130 1.00 0.00 H new ATOM 0 HB2 SER A 53 -14.039 16.033 -9.446 1.00 0.00 H new ATOM 0 HB3 SER A 53 -15.514 15.850 -8.519 1.00 0.00 H new ATOM 0 HG SER A 53 -14.279 17.699 -7.847 1.00 0.00 H new ATOM 820 N LEU A 54 -15.163 12.499 -8.898 1.00 0.00 N ATOM 821 CA LEU A 54 -15.459 11.465 -9.880 1.00 0.00 C ATOM 822 C LEU A 54 -16.909 11.534 -10.342 1.00 0.00 C ATOM 823 O LEU A 54 -17.837 11.426 -9.536 1.00 0.00 O ATOM 824 CB LEU A 54 -15.173 10.072 -9.308 1.00 0.00 C ATOM 825 CG LEU A 54 -13.702 9.753 -9.032 1.00 0.00 C ATOM 826 CD1 LEU A 54 -13.559 8.321 -8.540 1.00 0.00 C ATOM 827 CD2 LEU A 54 -12.864 9.974 -10.284 1.00 0.00 C ATOM 0 H LEU A 54 -15.728 12.452 -8.050 1.00 0.00 H new ATOM 0 HA LEU A 54 -14.811 11.642 -10.738 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -15.730 9.961 -8.378 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -15.562 9.328 -10.003 1.00 0.00 H new ATOM 0 HG LEU A 54 -13.339 10.426 -8.255 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -12.508 8.106 -8.347 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -14.130 8.193 -7.621 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -13.936 7.636 -9.299 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -11.821 9.742 -10.069 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -13.223 9.324 -11.082 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -12.947 11.014 -10.599 1.00 0.00 H new ATOM 839 N GLU A 55 -17.099 11.724 -11.638 1.00 0.00 N ATOM 840 CA GLU A 55 -18.421 11.650 -12.240 1.00 0.00 C ATOM 841 C GLU A 55 -18.596 10.286 -12.899 1.00 0.00 C ATOM 842 O GLU A 55 -17.717 9.828 -13.632 1.00 0.00 O ATOM 843 CB GLU A 55 -18.614 12.759 -13.283 1.00 0.00 C ATOM 844 CG GLU A 55 -18.590 14.167 -12.707 1.00 0.00 C ATOM 845 CD GLU A 55 -18.867 15.224 -13.758 1.00 0.00 C ATOM 846 OE1 GLU A 55 -20.056 15.484 -14.051 1.00 0.00 O ATOM 847 OE2 GLU A 55 -17.899 15.802 -14.297 1.00 0.00 O ATOM 0 H GLU A 55 -16.349 11.932 -12.297 1.00 0.00 H new ATOM 0 HA GLU A 55 -19.169 11.785 -11.459 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -17.832 12.673 -14.037 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -19.565 12.603 -13.792 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -19.332 14.245 -11.912 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -17.617 14.355 -12.254 1.00 0.00 H new ATOM 854 N LEU A 56 -19.717 9.635 -12.634 1.00 0.00 N ATOM 855 CA LEU A 56 -19.985 8.322 -13.206 1.00 0.00 C ATOM 856 C LEU A 56 -21.099 8.434 -14.237 1.00 0.00 C ATOM 857 O LEU A 56 -22.080 9.146 -14.022 1.00 0.00 O ATOM 858 CB LEU A 56 -20.363 7.300 -12.124 1.00 0.00 C ATOM 859 CG LEU A 56 -19.248 6.883 -11.147 1.00 0.00 C ATOM 860 CD1 LEU A 56 -17.986 6.482 -11.893 1.00 0.00 C ATOM 861 CD2 LEU A 56 -18.952 7.985 -10.143 1.00 0.00 C ATOM 0 H LEU A 56 -20.456 9.992 -12.028 1.00 0.00 H new ATOM 0 HA LEU A 56 -19.074 7.967 -13.688 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -21.189 7.710 -11.543 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -20.735 6.403 -12.619 1.00 0.00 H new ATOM 0 HG LEU A 56 -19.606 6.014 -10.595 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -17.217 6.193 -11.177 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -18.204 5.641 -12.551 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -17.631 7.324 -12.487 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -18.161 7.659 -9.468 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -18.631 8.882 -10.672 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -19.852 8.205 -9.568 1.00 0.00 H new ATOM 873 N TYR A 57 -20.942 7.750 -15.364 1.00 0.00 N ATOM 874 CA TYR A 57 -21.886 7.880 -16.468 1.00 0.00 C ATOM 875 C TYR A 57 -23.209 7.195 -16.131 1.00 0.00 C ATOM 876 O TYR A 57 -24.273 7.592 -16.612 1.00 0.00 O ATOM 877 CB TYR A 57 -21.290 7.303 -17.766 1.00 0.00 C ATOM 878 CG TYR A 57 -21.632 5.849 -18.036 1.00 0.00 C ATOM 879 CD1 TYR A 57 -22.767 5.521 -18.759 1.00 0.00 C ATOM 880 CD2 TYR A 57 -20.834 4.813 -17.569 1.00 0.00 C ATOM 881 CE1 TYR A 57 -23.100 4.208 -19.011 1.00 0.00 C ATOM 882 CE2 TYR A 57 -21.158 3.491 -17.824 1.00 0.00 C ATOM 883 CZ TYR A 57 -22.295 3.198 -18.543 1.00 0.00 C ATOM 884 OH TYR A 57 -22.636 1.889 -18.800 1.00 0.00 O ATOM 0 H TYR A 57 -20.173 7.102 -15.538 1.00 0.00 H new ATOM 0 HA TYR A 57 -22.081 8.941 -16.625 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -21.637 7.905 -18.606 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -20.205 7.405 -17.727 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -23.403 6.310 -19.132 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -19.946 5.042 -16.998 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -23.991 3.974 -19.575 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -20.524 2.696 -17.462 1.00 0.00 H new ATOM 0 HH TYR A 57 -21.967 1.293 -18.404 1.00 0.00 H new ATOM 894 N GLY A 58 -23.134 6.178 -15.292 1.00 0.00 N ATOM 895 CA GLY A 58 -24.311 5.421 -14.946 1.00 0.00 C ATOM 896 C GLY A 58 -24.610 5.477 -13.468 1.00 0.00 C ATOM 897 O GLY A 58 -23.790 5.954 -12.683 1.00 0.00 O ATOM 0 H GLY A 58 -22.274 5.863 -14.843 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -25.165 5.806 -15.503 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -24.175 4.383 -15.249 1.00 0.00 H new ATOM 901 N LYS A 59 -25.786 4.996 -13.095 1.00 0.00 N ATOM 902 CA LYS A 59 -26.206 4.978 -11.704 1.00 0.00 C ATOM 903 C LYS A 59 -25.279 4.119 -10.856 1.00 0.00 C ATOM 904 O LYS A 59 -25.057 2.940 -11.146 1.00 0.00 O ATOM 905 CB LYS A 59 -27.634 4.444 -11.586 1.00 0.00 C ATOM 906 CG LYS A 59 -28.702 5.419 -12.052 1.00 0.00 C ATOM 907 CD LYS A 59 -28.793 6.619 -11.125 1.00 0.00 C ATOM 908 CE LYS A 59 -30.158 6.706 -10.457 1.00 0.00 C ATOM 909 NZ LYS A 59 -30.418 5.553 -9.549 1.00 0.00 N ATOM 0 H LYS A 59 -26.472 4.610 -13.744 1.00 0.00 H new ATOM 0 HA LYS A 59 -26.165 6.003 -11.337 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -27.716 3.526 -12.168 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -27.827 4.180 -10.546 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -28.475 5.754 -13.064 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -29.667 4.913 -12.092 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -28.017 6.550 -10.362 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -28.605 7.532 -11.690 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -30.224 7.634 -9.890 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -30.933 6.745 -11.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -31.365 5.647 -9.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -30.365 4.666 -10.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -29.705 5.540 -8.792 1.00 0.00 H new ATOM 923 N ILE A 60 -24.727 4.719 -9.820 1.00 0.00 N ATOM 924 CA ILE A 60 -23.962 3.972 -8.842 1.00 0.00 C ATOM 925 C ILE A 60 -24.796 3.751 -7.589 1.00 0.00 C ATOM 926 O ILE A 60 -25.618 4.593 -7.224 1.00 0.00 O ATOM 927 CB ILE A 60 -22.621 4.641 -8.456 1.00 0.00 C ATOM 928 CG1 ILE A 60 -22.743 6.174 -8.336 1.00 0.00 C ATOM 929 CG2 ILE A 60 -21.535 4.255 -9.455 1.00 0.00 C ATOM 930 CD1 ILE A 60 -22.617 6.912 -9.652 1.00 0.00 C ATOM 0 H ILE A 60 -24.794 5.720 -9.634 1.00 0.00 H new ATOM 0 HA ILE A 60 -23.714 3.021 -9.314 1.00 0.00 H new ATOM 0 HB ILE A 60 -22.342 4.273 -7.469 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -23.706 6.416 -7.887 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -21.974 6.536 -7.654 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -20.596 4.731 -9.174 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -21.407 3.172 -9.454 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -21.825 4.585 -10.453 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -22.714 7.984 -9.479 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -21.643 6.703 -10.095 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -23.403 6.581 -10.331 1.00 0.00 H new ATOM 942 N MET A 61 -24.585 2.624 -6.934 1.00 0.00 N ATOM 943 CA MET A 61 -25.381 2.262 -5.778 1.00 0.00 C ATOM 944 C MET A 61 -24.765 2.860 -4.527 1.00 0.00 C ATOM 945 O MET A 61 -23.841 2.297 -3.942 1.00 0.00 O ATOM 946 CB MET A 61 -25.485 0.741 -5.654 1.00 0.00 C ATOM 947 CG MET A 61 -26.432 0.283 -4.560 1.00 0.00 C ATOM 948 SD MET A 61 -26.569 -1.513 -4.469 1.00 0.00 S ATOM 949 CE MET A 61 -27.121 -1.895 -6.133 1.00 0.00 C ATOM 0 H MET A 61 -23.868 1.943 -7.184 1.00 0.00 H new ATOM 0 HA MET A 61 -26.388 2.660 -5.901 1.00 0.00 H new ATOM 0 HB2 MET A 61 -25.818 0.329 -6.607 1.00 0.00 H new ATOM 0 HB3 MET A 61 -24.494 0.332 -5.459 1.00 0.00 H new ATOM 0 HG2 MET A 61 -26.085 0.666 -3.600 1.00 0.00 H new ATOM 0 HG3 MET A 61 -27.419 0.711 -4.736 1.00 0.00 H new ATOM 0 HE1 MET A 61 -27.648 -2.849 -6.132 1.00 0.00 H new ATOM 0 HE2 MET A 61 -27.792 -1.111 -6.483 1.00 0.00 H new ATOM 0 HE3 MET A 61 -26.259 -1.958 -6.797 1.00 0.00 H new ATOM 959 N THR A 62 -25.284 4.012 -4.134 1.00 0.00 N ATOM 960 CA THR A 62 -24.763 4.751 -2.994 1.00 0.00 C ATOM 961 C THR A 62 -25.011 4.019 -1.675 1.00 0.00 C ATOM 962 O THR A 62 -24.536 4.439 -0.619 1.00 0.00 O ATOM 963 CB THR A 62 -25.393 6.152 -2.938 1.00 0.00 C ATOM 964 OG1 THR A 62 -26.815 6.055 -3.118 1.00 0.00 O ATOM 965 CG2 THR A 62 -24.802 7.053 -4.011 1.00 0.00 C ATOM 0 H THR A 62 -26.076 4.461 -4.594 1.00 0.00 H new ATOM 0 HA THR A 62 -23.685 4.838 -3.128 1.00 0.00 H new ATOM 0 HB THR A 62 -25.178 6.587 -1.962 1.00 0.00 H new ATOM 0 HG1 THR A 62 -27.211 6.950 -3.080 1.00 0.00 H new ATOM 0 HG21 THR A 62 -25.263 8.039 -3.952 1.00 0.00 H new ATOM 0 HG22 THR A 62 -23.727 7.145 -3.857 1.00 0.00 H new ATOM 0 HG23 THR A 62 -24.992 6.622 -4.994 1.00 0.00 H new ATOM 973 N GLU A 63 -25.770 2.933 -1.740 1.00 0.00 N ATOM 974 CA GLU A 63 -25.989 2.084 -0.582 1.00 0.00 C ATOM 975 C GLU A 63 -24.708 1.324 -0.237 1.00 0.00 C ATOM 976 O GLU A 63 -24.520 0.891 0.902 1.00 0.00 O ATOM 977 CB GLU A 63 -27.139 1.114 -0.854 1.00 0.00 C ATOM 978 CG GLU A 63 -27.497 0.240 0.337 1.00 0.00 C ATOM 979 CD GLU A 63 -28.795 -0.512 0.137 1.00 0.00 C ATOM 980 OE1 GLU A 63 -29.860 0.035 0.495 1.00 0.00 O ATOM 981 OE2 GLU A 63 -28.756 -1.646 -0.384 1.00 0.00 O ATOM 0 H GLU A 63 -26.245 2.621 -2.587 1.00 0.00 H new ATOM 0 HA GLU A 63 -26.258 2.707 0.271 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -28.019 1.683 -1.153 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -26.872 0.474 -1.695 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -26.692 -0.473 0.515 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -27.575 0.862 1.229 1.00 0.00 H new ATOM 988 N TYR A 64 -23.825 1.187 -1.225 1.00 0.00 N ATOM 989 CA TYR A 64 -22.537 0.537 -1.020 1.00 0.00 C ATOM 990 C TYR A 64 -21.387 1.500 -1.287 1.00 0.00 C ATOM 991 O TYR A 64 -21.102 1.845 -2.435 1.00 0.00 O ATOM 992 CB TYR A 64 -22.392 -0.681 -1.929 1.00 0.00 C ATOM 993 CG TYR A 64 -23.061 -1.932 -1.409 1.00 0.00 C ATOM 994 CD1 TYR A 64 -22.364 -2.823 -0.604 1.00 0.00 C ATOM 995 CD2 TYR A 64 -24.379 -2.230 -1.734 1.00 0.00 C ATOM 996 CE1 TYR A 64 -22.956 -3.978 -0.137 1.00 0.00 C ATOM 997 CE2 TYR A 64 -24.981 -3.384 -1.267 1.00 0.00 C ATOM 998 CZ TYR A 64 -24.266 -4.255 -0.471 1.00 0.00 C ATOM 999 OH TYR A 64 -24.861 -5.408 -0.012 1.00 0.00 O ATOM 0 H TYR A 64 -23.981 1.519 -2.177 1.00 0.00 H new ATOM 0 HA TYR A 64 -22.498 0.217 0.021 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -22.809 -0.441 -2.907 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -21.331 -0.885 -2.076 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -21.339 -2.608 -0.339 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -24.940 -1.552 -2.359 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -22.398 -4.661 0.486 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -26.007 -3.603 -1.524 1.00 0.00 H new ATOM 0 HH TYR A 64 -25.785 -5.451 -0.337 1.00 0.00 H new ATOM 1009 N ARG A 65 -20.736 1.923 -0.214 1.00 0.00 N ATOM 1010 CA ARG A 65 -19.537 2.741 -0.298 1.00 0.00 C ATOM 1011 C ARG A 65 -18.716 2.596 0.981 1.00 0.00 C ATOM 1012 O ARG A 65 -19.222 2.787 2.085 1.00 0.00 O ATOM 1013 CB ARG A 65 -19.890 4.216 -0.589 1.00 0.00 C ATOM 1014 CG ARG A 65 -21.135 4.740 0.131 1.00 0.00 C ATOM 1015 CD ARG A 65 -20.857 5.125 1.576 1.00 0.00 C ATOM 1016 NE ARG A 65 -20.028 6.326 1.682 1.00 0.00 N ATOM 1017 CZ ARG A 65 -19.082 6.498 2.607 1.00 0.00 C ATOM 1018 NH1 ARG A 65 -18.751 5.499 3.418 1.00 0.00 N ATOM 1019 NH2 ARG A 65 -18.443 7.658 2.692 1.00 0.00 N ATOM 0 H ARG A 65 -21.025 1.708 0.740 1.00 0.00 H new ATOM 0 HA ARG A 65 -18.929 2.390 -1.132 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -19.040 4.839 -0.311 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -20.034 4.334 -1.663 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -21.522 5.607 -0.404 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -21.913 3.977 0.105 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -21.802 5.292 2.093 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -20.359 4.297 2.081 1.00 0.00 H new ATOM 0 HE ARG A 65 -20.183 7.076 1.009 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -19.221 4.597 3.334 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -18.027 5.634 4.124 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -18.675 8.416 2.051 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -17.720 7.791 3.399 1.00 0.00 H new ATOM 1033 N LYS A 66 -17.450 2.236 0.827 1.00 0.00 N ATOM 1034 CA LYS A 66 -16.585 1.973 1.969 1.00 0.00 C ATOM 1035 C LYS A 66 -15.132 1.943 1.513 1.00 0.00 C ATOM 1036 O LYS A 66 -14.833 1.469 0.420 1.00 0.00 O ATOM 1037 CB LYS A 66 -16.994 0.636 2.615 1.00 0.00 C ATOM 1038 CG LYS A 66 -16.363 0.355 3.972 1.00 0.00 C ATOM 1039 CD LYS A 66 -15.008 -0.314 3.840 1.00 0.00 C ATOM 1040 CE LYS A 66 -14.415 -0.639 5.200 1.00 0.00 C ATOM 1041 NZ LYS A 66 -14.145 0.581 6.002 1.00 0.00 N ATOM 0 H LYS A 66 -16.998 2.119 -0.080 1.00 0.00 H new ATOM 0 HA LYS A 66 -16.691 2.764 2.712 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -18.078 0.620 2.726 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -16.731 -0.174 1.935 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -16.254 1.290 4.522 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -17.027 -0.283 4.556 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -15.108 -1.229 3.257 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -14.329 0.340 3.293 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -15.100 -1.287 5.747 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -13.488 -1.196 5.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -13.649 0.318 6.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -13.553 1.235 5.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -15.044 1.046 6.240 1.00 0.00 H new ATOM 1055 N ASN A 67 -14.238 2.470 2.335 1.00 0.00 N ATOM 1056 CA ASN A 67 -12.824 2.506 1.993 1.00 0.00 C ATOM 1057 C ASN A 67 -12.006 1.602 2.912 1.00 0.00 C ATOM 1058 O ASN A 67 -12.118 1.667 4.139 1.00 0.00 O ATOM 1059 CB ASN A 67 -12.293 3.947 2.023 1.00 0.00 C ATOM 1060 CG ASN A 67 -12.602 4.686 3.316 1.00 0.00 C ATOM 1061 OD1 ASN A 67 -13.668 5.287 3.462 1.00 0.00 O ATOM 1062 ND2 ASN A 67 -11.669 4.661 4.255 1.00 0.00 N ATOM 0 H ASN A 67 -14.465 2.878 3.242 1.00 0.00 H new ATOM 0 HA ASN A 67 -12.717 2.125 0.977 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -11.213 3.930 1.874 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -12.722 4.500 1.187 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -11.820 5.151 5.137 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -10.799 4.152 4.096 1.00 0.00 H new ATOM 1069 N VAL A 68 -11.210 0.733 2.300 1.00 0.00 N ATOM 1070 CA VAL A 68 -10.333 -0.180 3.030 1.00 0.00 C ATOM 1071 C VAL A 68 -8.875 0.155 2.732 1.00 0.00 C ATOM 1072 O VAL A 68 -8.495 0.273 1.572 1.00 0.00 O ATOM 1073 CB VAL A 68 -10.595 -1.656 2.640 1.00 0.00 C ATOM 1074 CG1 VAL A 68 -9.742 -2.604 3.468 1.00 0.00 C ATOM 1075 CG2 VAL A 68 -12.066 -2.007 2.778 1.00 0.00 C ATOM 0 H VAL A 68 -11.153 0.640 1.286 1.00 0.00 H new ATOM 0 HA VAL A 68 -10.542 -0.058 4.093 1.00 0.00 H new ATOM 0 HB VAL A 68 -10.314 -1.772 1.593 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -9.948 -3.632 3.171 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -8.687 -2.383 3.303 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -9.978 -2.477 4.525 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -12.219 -3.049 2.497 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -12.380 -1.859 3.811 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -12.656 -1.365 2.124 1.00 0.00 H new ATOM 1085 N GLY A 69 -8.062 0.308 3.765 1.00 0.00 N ATOM 1086 CA GLY A 69 -6.669 0.650 3.545 1.00 0.00 C ATOM 1087 C GLY A 69 -5.726 -0.504 3.817 1.00 0.00 C ATOM 1088 O GLY A 69 -5.400 -0.789 4.969 1.00 0.00 O ATOM 0 H GLY A 69 -8.335 0.203 4.742 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -6.540 0.982 2.515 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -6.401 1.490 4.186 1.00 0.00 H new ATOM 1092 N LEU A 70 -5.292 -1.168 2.757 1.00 0.00 N ATOM 1093 CA LEU A 70 -4.342 -2.269 2.880 1.00 0.00 C ATOM 1094 C LEU A 70 -2.927 -1.706 2.972 1.00 0.00 C ATOM 1095 O LEU A 70 -2.341 -1.634 4.048 1.00 0.00 O ATOM 1096 CB LEU A 70 -4.468 -3.215 1.680 1.00 0.00 C ATOM 1097 CG LEU A 70 -3.556 -4.446 1.705 1.00 0.00 C ATOM 1098 CD1 LEU A 70 -3.922 -5.366 2.857 1.00 0.00 C ATOM 1099 CD2 LEU A 70 -3.640 -5.195 0.384 1.00 0.00 C ATOM 0 H LEU A 70 -5.581 -0.965 1.800 1.00 0.00 H new ATOM 0 HA LEU A 70 -4.560 -2.837 3.785 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -5.502 -3.553 1.615 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.259 -2.650 0.772 1.00 0.00 H new ATOM 0 HG LEU A 70 -2.530 -4.107 1.851 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -3.261 -6.233 2.854 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -3.813 -4.830 3.800 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -4.955 -5.697 2.745 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -2.986 -6.067 0.418 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.667 -5.518 0.213 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -3.327 -4.538 -0.427 1.00 0.00 H new ATOM 1111 N ARG A 71 -2.397 -1.303 1.828 1.00 0.00 N ATOM 1112 CA ARG A 71 -1.146 -0.559 1.751 1.00 0.00 C ATOM 1113 C ARG A 71 -1.426 0.762 1.058 1.00 0.00 C ATOM 1114 O ARG A 71 -0.530 1.557 0.771 1.00 0.00 O ATOM 1115 CB ARG A 71 -0.081 -1.351 0.989 1.00 0.00 C ATOM 1116 CG ARG A 71 0.521 -2.508 1.776 1.00 0.00 C ATOM 1117 CD ARG A 71 1.342 -2.021 2.968 1.00 0.00 C ATOM 1118 NE ARG A 71 0.509 -1.568 4.086 1.00 0.00 N ATOM 1119 CZ ARG A 71 0.618 -0.370 4.664 1.00 0.00 C ATOM 1120 NH1 ARG A 71 1.455 0.535 4.175 1.00 0.00 N ATOM 1121 NH2 ARG A 71 -0.136 -0.068 5.718 1.00 0.00 N ATOM 0 H ARG A 71 -2.824 -1.483 0.920 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.760 -0.383 2.755 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -0.522 -1.741 0.072 1.00 0.00 H new ATOM 0 HB3 ARG A 71 0.719 -0.672 0.694 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -0.277 -3.162 2.128 1.00 0.00 H new ATOM 0 HG3 ARG A 71 1.154 -3.104 1.118 1.00 0.00 H new ATOM 0 HD2 ARG A 71 1.992 -2.827 3.309 1.00 0.00 H new ATOM 0 HD3 ARG A 71 1.988 -1.204 2.648 1.00 0.00 H new ATOM 0 HE ARG A 71 -0.199 -2.209 4.445 1.00 0.00 H new ATOM 0 HH11 ARG A 71 2.019 0.317 3.354 1.00 0.00 H new ATOM 0 HH12 ARG A 71 1.535 1.449 4.620 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -0.798 -0.752 6.085 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -0.052 0.848 6.159 1.00 0.00 H new ATOM 1135 N ASN A 72 -2.708 0.953 0.803 1.00 0.00 N ATOM 1136 CA ASN A 72 -3.231 2.081 0.062 1.00 0.00 C ATOM 1137 C ASN A 72 -4.725 2.131 0.320 1.00 0.00 C ATOM 1138 O ASN A 72 -5.268 1.211 0.935 1.00 0.00 O ATOM 1139 CB ASN A 72 -2.938 1.945 -1.441 1.00 0.00 C ATOM 1140 CG ASN A 72 -3.261 0.564 -1.998 1.00 0.00 C ATOM 1141 OD1 ASN A 72 -4.141 -0.142 -1.504 1.00 0.00 O ATOM 1142 ND2 ASN A 72 -2.545 0.171 -3.040 1.00 0.00 N ATOM 0 H ASN A 72 -3.433 0.307 1.116 1.00 0.00 H new ATOM 0 HA ASN A 72 -2.752 3.004 0.389 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -3.515 2.692 -1.985 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -1.885 2.164 -1.620 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -2.714 -0.743 -3.460 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -1.824 0.782 -3.423 1.00 0.00 H new ATOM 1149 N ILE A 73 -5.398 3.174 -0.126 1.00 0.00 N ATOM 1150 CA ILE A 73 -6.814 3.300 0.176 1.00 0.00 C ATOM 1151 C ILE A 73 -7.664 2.798 -0.980 1.00 0.00 C ATOM 1152 O ILE A 73 -7.643 3.357 -2.079 1.00 0.00 O ATOM 1153 CB ILE A 73 -7.215 4.749 0.540 1.00 0.00 C ATOM 1154 CG1 ILE A 73 -6.456 5.218 1.792 1.00 0.00 C ATOM 1155 CG2 ILE A 73 -8.723 4.853 0.758 1.00 0.00 C ATOM 1156 CD1 ILE A 73 -6.686 4.343 3.006 1.00 0.00 C ATOM 0 H ILE A 73 -5.002 3.930 -0.685 1.00 0.00 H new ATOM 0 HA ILE A 73 -7.000 2.679 1.052 1.00 0.00 H new ATOM 0 HB ILE A 73 -6.945 5.399 -0.292 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -5.389 5.244 1.571 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -6.758 6.238 2.028 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -8.984 5.880 1.013 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -9.243 4.562 -0.155 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -9.020 4.191 1.571 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.119 4.735 3.850 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -7.747 4.336 3.254 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -6.357 3.327 2.789 1.00 0.00 H new ATOM 1168 N ILE A 74 -8.393 1.724 -0.723 1.00 0.00 N ATOM 1169 CA ILE A 74 -9.293 1.162 -1.706 1.00 0.00 C ATOM 1170 C ILE A 74 -10.712 1.640 -1.438 1.00 0.00 C ATOM 1171 O ILE A 74 -11.273 1.375 -0.376 1.00 0.00 O ATOM 1172 CB ILE A 74 -9.275 -0.383 -1.667 1.00 0.00 C ATOM 1173 CG1 ILE A 74 -7.838 -0.905 -1.760 1.00 0.00 C ATOM 1174 CG2 ILE A 74 -10.131 -0.958 -2.788 1.00 0.00 C ATOM 1175 CD1 ILE A 74 -7.138 -0.548 -3.052 1.00 0.00 C ATOM 0 H ILE A 74 -8.375 1.224 0.166 1.00 0.00 H new ATOM 0 HA ILE A 74 -8.959 1.493 -2.689 1.00 0.00 H new ATOM 0 HB ILE A 74 -9.697 -0.708 -0.716 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -7.262 -0.507 -0.924 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -7.848 -1.990 -1.652 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -10.105 -2.047 -2.743 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -11.159 -0.614 -2.674 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -9.742 -0.625 -3.750 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -6.126 -0.953 -3.041 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -7.689 -0.970 -3.893 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -7.094 0.536 -3.154 1.00 0.00 H new ATOM 1187 N PHE A 75 -11.285 2.341 -2.395 1.00 0.00 N ATOM 1188 CA PHE A 75 -12.669 2.764 -2.301 1.00 0.00 C ATOM 1189 C PHE A 75 -13.551 1.756 -3.019 1.00 0.00 C ATOM 1190 O PHE A 75 -13.377 1.509 -4.212 1.00 0.00 O ATOM 1191 CB PHE A 75 -12.865 4.157 -2.908 1.00 0.00 C ATOM 1192 CG PHE A 75 -12.126 5.249 -2.189 1.00 0.00 C ATOM 1193 CD1 PHE A 75 -12.624 5.781 -1.011 1.00 0.00 C ATOM 1194 CD2 PHE A 75 -10.941 5.754 -2.700 1.00 0.00 C ATOM 1195 CE1 PHE A 75 -11.954 6.796 -0.356 1.00 0.00 C ATOM 1196 CE2 PHE A 75 -10.265 6.767 -2.048 1.00 0.00 C ATOM 1197 CZ PHE A 75 -10.774 7.289 -0.874 1.00 0.00 C ATOM 0 H PHE A 75 -10.812 2.631 -3.251 1.00 0.00 H new ATOM 0 HA PHE A 75 -12.946 2.816 -1.248 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -12.540 4.137 -3.948 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -13.929 4.394 -2.911 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -13.546 5.398 -0.600 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -10.541 5.351 -3.619 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -12.354 7.203 0.561 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -9.341 7.150 -2.455 1.00 0.00 H new ATOM 0 HZ PHE A 75 -10.249 8.082 -0.363 1.00 0.00 H new ATOM 1207 N SER A 76 -14.466 1.151 -2.289 1.00 0.00 N ATOM 1208 CA SER A 76 -15.366 0.169 -2.860 1.00 0.00 C ATOM 1209 C SER A 76 -16.749 0.771 -3.091 1.00 0.00 C ATOM 1210 O SER A 76 -17.453 1.109 -2.136 1.00 0.00 O ATOM 1211 CB SER A 76 -15.459 -1.042 -1.933 1.00 0.00 C ATOM 1212 OG SER A 76 -14.168 -1.543 -1.627 1.00 0.00 O ATOM 0 H SER A 76 -14.606 1.323 -1.294 1.00 0.00 H new ATOM 0 HA SER A 76 -14.972 -0.149 -3.826 1.00 0.00 H new ATOM 0 HB2 SER A 76 -15.973 -0.763 -1.013 1.00 0.00 H new ATOM 0 HB3 SER A 76 -16.054 -1.823 -2.406 1.00 0.00 H new ATOM 0 HG SER A 76 -13.908 -2.208 -2.298 1.00 0.00 H new ATOM 1218 N ILE A 77 -17.117 0.931 -4.357 1.00 0.00 N ATOM 1219 CA ILE A 77 -18.430 1.449 -4.718 1.00 0.00 C ATOM 1220 C ILE A 77 -19.118 0.462 -5.649 1.00 0.00 C ATOM 1221 O ILE A 77 -18.513 -0.018 -6.607 1.00 0.00 O ATOM 1222 CB ILE A 77 -18.354 2.839 -5.412 1.00 0.00 C ATOM 1223 CG1 ILE A 77 -17.743 3.901 -4.485 1.00 0.00 C ATOM 1224 CG2 ILE A 77 -19.734 3.285 -5.879 1.00 0.00 C ATOM 1225 CD1 ILE A 77 -16.228 3.904 -4.459 1.00 0.00 C ATOM 0 H ILE A 77 -16.521 0.708 -5.154 1.00 0.00 H new ATOM 0 HA ILE A 77 -18.997 1.575 -3.795 1.00 0.00 H new ATOM 0 HB ILE A 77 -17.703 2.733 -6.280 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -18.092 4.885 -4.798 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -18.112 3.739 -3.472 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -19.658 4.259 -6.361 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -20.130 2.559 -6.589 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -20.403 3.356 -5.021 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -15.877 4.682 -3.781 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -15.868 2.934 -4.115 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -15.847 4.098 -5.462 1.00 0.00 H new ATOM 1237 N GLN A 78 -20.367 0.139 -5.362 1.00 0.00 N ATOM 1238 CA GLN A 78 -21.095 -0.813 -6.184 1.00 0.00 C ATOM 1239 C GLN A 78 -21.870 -0.093 -7.282 1.00 0.00 C ATOM 1240 O GLN A 78 -22.391 1.001 -7.076 1.00 0.00 O ATOM 1241 CB GLN A 78 -22.037 -1.658 -5.321 1.00 0.00 C ATOM 1242 CG GLN A 78 -22.723 -2.776 -6.089 1.00 0.00 C ATOM 1243 CD GLN A 78 -23.398 -3.784 -5.179 1.00 0.00 C ATOM 1244 OE1 GLN A 78 -22.955 -4.024 -4.058 1.00 0.00 O ATOM 1245 NE2 GLN A 78 -24.467 -4.393 -5.661 1.00 0.00 N ATOM 0 H GLN A 78 -20.894 0.517 -4.575 1.00 0.00 H new ATOM 0 HA GLN A 78 -20.374 -1.480 -6.658 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -21.471 -2.089 -4.495 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -22.796 -1.009 -4.884 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -23.465 -2.346 -6.762 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -21.988 -3.288 -6.710 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -24.805 -4.167 -6.597 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -24.955 -5.089 -5.098 1.00 0.00 H new ATOM 1254 N LYS A 79 -21.926 -0.715 -8.447 1.00 0.00 N ATOM 1255 CA LYS A 79 -22.619 -0.151 -9.593 1.00 0.00 C ATOM 1256 C LYS A 79 -24.080 -0.587 -9.572 1.00 0.00 C ATOM 1257 O LYS A 79 -24.382 -1.752 -9.318 1.00 0.00 O ATOM 1258 CB LYS A 79 -21.933 -0.617 -10.881 1.00 0.00 C ATOM 1259 CG LYS A 79 -20.480 -0.164 -10.979 1.00 0.00 C ATOM 1260 CD LYS A 79 -19.614 -1.161 -11.739 1.00 0.00 C ATOM 1261 CE LYS A 79 -19.986 -1.251 -13.211 1.00 0.00 C ATOM 1262 NZ LYS A 79 -19.128 -2.230 -13.934 1.00 0.00 N ATOM 0 H LYS A 79 -21.494 -1.622 -8.625 1.00 0.00 H new ATOM 0 HA LYS A 79 -22.582 0.938 -9.550 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -21.973 -1.705 -10.934 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -22.486 -0.235 -11.739 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -20.437 0.805 -11.476 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -20.076 -0.026 -9.976 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -18.567 -0.871 -11.649 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -19.712 -2.146 -11.282 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -21.032 -1.543 -13.305 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -19.887 -0.269 -13.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -19.420 -2.278 -14.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -18.134 -1.928 -13.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -19.229 -3.169 -13.498 1.00 0.00 H new ATOM 1276 N GLU A 80 -24.982 0.352 -9.819 1.00 0.00 N ATOM 1277 CA GLU A 80 -26.408 0.063 -9.765 1.00 0.00 C ATOM 1278 C GLU A 80 -26.847 -0.649 -11.037 1.00 0.00 C ATOM 1279 O GLU A 80 -27.694 -1.543 -11.000 1.00 0.00 O ATOM 1280 CB GLU A 80 -27.204 1.356 -9.574 1.00 0.00 C ATOM 1281 CG GLU A 80 -28.691 1.141 -9.340 1.00 0.00 C ATOM 1282 CD GLU A 80 -29.447 2.449 -9.211 1.00 0.00 C ATOM 1283 OE1 GLU A 80 -29.344 3.098 -8.152 1.00 0.00 O ATOM 1284 OE2 GLU A 80 -30.152 2.834 -10.169 1.00 0.00 O ATOM 0 H GLU A 80 -24.753 1.317 -10.058 1.00 0.00 H new ATOM 0 HA GLU A 80 -26.602 -0.591 -8.915 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -26.789 1.904 -8.728 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -27.073 1.984 -10.455 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -29.107 0.563 -10.165 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -28.833 0.551 -8.435 1.00 0.00 H new ATOM 1427 N LEU A 88 -16.875 3.732 -16.804 1.00 0.00 N ATOM 1428 CA LEU A 88 -17.736 4.187 -15.721 1.00 0.00 C ATOM 1429 C LEU A 88 -17.620 5.693 -15.519 1.00 0.00 C ATOM 1430 O LEU A 88 -18.542 6.331 -15.013 1.00 0.00 O ATOM 1431 CB LEU A 88 -17.433 3.419 -14.428 1.00 0.00 C ATOM 1432 CG LEU A 88 -15.952 3.144 -14.140 1.00 0.00 C ATOM 1433 CD1 LEU A 88 -15.268 4.365 -13.545 1.00 0.00 C ATOM 1434 CD2 LEU A 88 -15.811 1.945 -13.217 1.00 0.00 C ATOM 0 HA LEU A 88 -18.769 3.978 -15.998 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -17.847 3.980 -13.590 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -17.959 2.465 -14.464 1.00 0.00 H new ATOM 0 HG LEU A 88 -15.459 2.919 -15.085 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -14.220 4.137 -13.353 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -15.336 5.197 -14.245 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -15.758 4.637 -12.610 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -14.755 1.760 -13.020 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -16.326 2.147 -12.277 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -16.251 1.067 -13.691 1.00 0.00 H new ATOM 1446 N LEU A 89 -16.493 6.255 -15.937 1.00 0.00 N ATOM 1447 CA LEU A 89 -16.286 7.692 -15.882 1.00 0.00 C ATOM 1448 C LEU A 89 -17.219 8.395 -16.857 1.00 0.00 C ATOM 1449 O LEU A 89 -17.121 8.201 -18.067 1.00 0.00 O ATOM 1450 CB LEU A 89 -14.828 8.048 -16.193 1.00 0.00 C ATOM 1451 CG LEU A 89 -13.804 7.548 -15.174 1.00 0.00 C ATOM 1452 CD1 LEU A 89 -12.395 7.922 -15.608 1.00 0.00 C ATOM 1453 CD2 LEU A 89 -14.108 8.114 -13.797 1.00 0.00 C ATOM 0 H LEU A 89 -15.705 5.732 -16.320 1.00 0.00 H new ATOM 0 HA LEU A 89 -16.510 8.030 -14.870 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -14.572 7.641 -17.171 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -14.743 9.132 -16.267 1.00 0.00 H new ATOM 0 HG LEU A 89 -13.869 6.461 -15.121 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -11.679 7.558 -14.871 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -12.181 7.470 -16.576 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -12.315 9.006 -15.688 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -13.370 7.749 -13.083 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -14.069 9.203 -13.834 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -15.103 7.797 -13.485 1.00 0.00 H new ATOM 1465 N LYS A 90 -18.140 9.181 -16.307 1.00 0.00 N ATOM 1466 CA LYS A 90 -19.108 9.949 -17.095 1.00 0.00 C ATOM 1467 C LYS A 90 -18.414 10.759 -18.180 1.00 0.00 C ATOM 1468 O LYS A 90 -18.920 10.897 -19.293 1.00 0.00 O ATOM 1469 CB LYS A 90 -19.880 10.891 -16.161 1.00 0.00 C ATOM 1470 CG LYS A 90 -20.771 11.905 -16.863 1.00 0.00 C ATOM 1471 CD LYS A 90 -21.289 12.940 -15.876 1.00 0.00 C ATOM 1472 CE LYS A 90 -21.964 14.103 -16.580 1.00 0.00 C ATOM 1473 NZ LYS A 90 -22.248 15.223 -15.643 1.00 0.00 N ATOM 0 H LYS A 90 -18.239 9.306 -15.300 1.00 0.00 H new ATOM 0 HA LYS A 90 -19.794 9.254 -17.579 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -20.496 10.290 -15.492 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -19.164 11.428 -15.539 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -20.212 12.400 -17.657 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -21.610 11.394 -17.335 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -21.996 12.469 -15.193 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -20.462 13.312 -15.272 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -21.326 14.458 -17.389 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -22.895 13.763 -17.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -22.631 16.031 -16.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -22.943 14.914 -14.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -21.369 15.508 -15.166 1.00 0.00 H new ATOM 1487 N SER A 91 -17.256 11.293 -17.842 1.00 0.00 N ATOM 1488 CA SER A 91 -16.508 12.118 -18.762 1.00 0.00 C ATOM 1489 C SER A 91 -15.133 11.521 -19.029 1.00 0.00 C ATOM 1490 O SER A 91 -14.157 11.867 -18.362 1.00 0.00 O ATOM 1491 CB SER A 91 -16.381 13.536 -18.199 1.00 0.00 C ATOM 1492 OG SER A 91 -17.665 14.085 -17.931 1.00 0.00 O ATOM 0 H SER A 91 -16.814 11.167 -16.931 1.00 0.00 H new ATOM 0 HA SER A 91 -17.043 12.160 -19.710 1.00 0.00 H new ATOM 0 HB2 SER A 91 -15.789 13.518 -17.284 1.00 0.00 H new ATOM 0 HB3 SER A 91 -15.850 14.169 -18.910 1.00 0.00 H new ATOM 0 HG SER A 91 -17.565 14.991 -17.570 1.00 0.00 H new ATOM 1498 N GLU A 92 -15.059 10.602 -19.983 1.00 0.00 N ATOM 1499 CA GLU A 92 -13.774 10.058 -20.404 1.00 0.00 C ATOM 1500 C GLU A 92 -13.137 11.008 -21.409 1.00 0.00 C ATOM 1501 O GLU A 92 -11.944 10.913 -21.709 1.00 0.00 O ATOM 1502 CB GLU A 92 -13.911 8.652 -21.012 1.00 0.00 C ATOM 1503 CG GLU A 92 -14.453 8.626 -22.437 1.00 0.00 C ATOM 1504 CD GLU A 92 -15.958 8.791 -22.520 1.00 0.00 C ATOM 1505 OE1 GLU A 92 -16.468 9.864 -22.137 1.00 0.00 O ATOM 1506 OE2 GLU A 92 -16.630 7.854 -23.000 1.00 0.00 O ATOM 0 H GLU A 92 -15.866 10.220 -20.476 1.00 0.00 H new ATOM 0 HA GLU A 92 -13.139 9.963 -19.523 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -12.934 8.169 -21.000 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -14.568 8.058 -20.377 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -13.977 9.420 -23.012 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -14.173 7.682 -22.905 1.00 0.00 H new ATOM 1513 N GLU A 93 -13.960 11.913 -21.935 1.00 0.00 N ATOM 1514 CA GLU A 93 -13.496 12.973 -22.821 1.00 0.00 C ATOM 1515 C GLU A 93 -12.470 13.837 -22.099 1.00 0.00 C ATOM 1516 O GLU A 93 -11.402 14.142 -22.631 1.00 0.00 O ATOM 1517 CB GLU A 93 -14.671 13.851 -23.261 1.00 0.00 C ATOM 1518 CG GLU A 93 -15.821 13.081 -23.891 1.00 0.00 C ATOM 1519 CD GLU A 93 -16.971 13.987 -24.276 1.00 0.00 C ATOM 1520 OE1 GLU A 93 -17.817 14.285 -23.407 1.00 0.00 O ATOM 1521 OE2 GLU A 93 -17.025 14.421 -25.440 1.00 0.00 O ATOM 0 H GLU A 93 -14.964 11.930 -21.758 1.00 0.00 H new ATOM 0 HA GLU A 93 -13.040 12.516 -23.700 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -15.045 14.398 -22.396 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -14.310 14.591 -23.975 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -15.463 12.555 -24.776 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -16.175 12.324 -23.192 1.00 0.00 H new ATOM 1528 N LYS A 94 -12.805 14.208 -20.872 1.00 0.00 N ATOM 1529 CA LYS A 94 -11.936 15.029 -20.041 1.00 0.00 C ATOM 1530 C LYS A 94 -11.734 14.390 -18.668 1.00 0.00 C ATOM 1531 O LYS A 94 -12.444 14.709 -17.712 1.00 0.00 O ATOM 1532 CB LYS A 94 -12.503 16.446 -19.891 1.00 0.00 C ATOM 1533 CG LYS A 94 -14.021 16.496 -19.779 1.00 0.00 C ATOM 1534 CD LYS A 94 -14.501 17.870 -19.333 1.00 0.00 C ATOM 1535 CE LYS A 94 -15.959 18.107 -19.697 1.00 0.00 C ATOM 1536 NZ LYS A 94 -16.862 17.047 -19.178 1.00 0.00 N ATOM 0 H LYS A 94 -13.685 13.949 -20.425 1.00 0.00 H new ATOM 0 HA LYS A 94 -10.967 15.097 -20.535 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -12.068 16.909 -19.005 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -12.192 17.044 -20.748 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -14.467 16.249 -20.742 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -14.360 15.742 -19.068 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -14.376 17.966 -18.254 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -13.882 18.639 -19.795 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -16.275 19.073 -19.302 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -16.054 18.160 -20.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -17.851 17.341 -19.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -16.694 16.162 -19.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -16.674 16.895 -18.167 1.00 0.00 H new ATOM 1550 N PRO A 95 -10.790 13.445 -18.566 1.00 0.00 N ATOM 1551 CA PRO A 95 -10.440 12.810 -17.310 1.00 0.00 C ATOM 1552 C PRO A 95 -9.264 13.500 -16.628 1.00 0.00 C ATOM 1553 O PRO A 95 -8.790 14.549 -17.074 1.00 0.00 O ATOM 1554 CB PRO A 95 -10.036 11.401 -17.748 1.00 0.00 C ATOM 1555 CG PRO A 95 -9.521 11.554 -19.150 1.00 0.00 C ATOM 1556 CD PRO A 95 -9.991 12.897 -19.671 1.00 0.00 C ATOM 0 HA PRO A 95 -11.255 12.841 -16.587 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -9.270 10.989 -17.091 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -10.886 10.720 -17.713 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -8.433 11.498 -19.166 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -9.891 10.748 -19.783 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -9.151 13.546 -19.917 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -10.586 12.788 -20.578 1.00 0.00 H new ATOM 1564 N ALA A 96 -8.799 12.897 -15.551 1.00 0.00 N ATOM 1565 CA ALA A 96 -7.605 13.358 -14.874 1.00 0.00 C ATOM 1566 C ALA A 96 -6.439 12.453 -15.241 1.00 0.00 C ATOM 1567 O ALA A 96 -6.561 11.230 -15.185 1.00 0.00 O ATOM 1568 CB ALA A 96 -7.818 13.388 -13.371 1.00 0.00 C ATOM 0 H ALA A 96 -9.235 12.080 -15.124 1.00 0.00 H new ATOM 0 HA ALA A 96 -7.379 14.375 -15.194 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -6.909 13.737 -12.882 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -8.640 14.063 -13.133 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -8.058 12.385 -13.017 1.00 0.00 H new ATOM 1574 N PRO A 97 -5.296 13.042 -15.625 1.00 0.00 N ATOM 1575 CA PRO A 97 -4.123 12.286 -16.084 1.00 0.00 C ATOM 1576 C PRO A 97 -3.557 11.356 -15.013 1.00 0.00 C ATOM 1577 O PRO A 97 -2.774 10.453 -15.309 1.00 0.00 O ATOM 1578 CB PRO A 97 -3.104 13.375 -16.433 1.00 0.00 C ATOM 1579 CG PRO A 97 -3.560 14.583 -15.692 1.00 0.00 C ATOM 1580 CD PRO A 97 -5.057 14.494 -15.652 1.00 0.00 C ATOM 0 HA PRO A 97 -4.375 11.631 -16.918 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -2.097 13.084 -16.132 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -3.075 13.559 -17.507 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -3.142 14.606 -14.686 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -3.235 15.495 -16.193 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -5.468 14.988 -14.772 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -5.514 14.963 -16.524 1.00 0.00 H new ATOM 1588 N TYR A 98 -3.954 11.569 -13.764 1.00 0.00 N ATOM 1589 CA TYR A 98 -3.480 10.728 -12.682 1.00 0.00 C ATOM 1590 C TYR A 98 -4.388 9.518 -12.500 1.00 0.00 C ATOM 1591 O TYR A 98 -4.089 8.637 -11.695 1.00 0.00 O ATOM 1592 CB TYR A 98 -3.340 11.508 -11.370 1.00 0.00 C ATOM 1593 CG TYR A 98 -4.591 12.224 -10.897 1.00 0.00 C ATOM 1594 CD1 TYR A 98 -5.623 11.536 -10.271 1.00 0.00 C ATOM 1595 CD2 TYR A 98 -4.722 13.598 -11.051 1.00 0.00 C ATOM 1596 CE1 TYR A 98 -6.750 12.196 -9.814 1.00 0.00 C ATOM 1597 CE2 TYR A 98 -5.844 14.264 -10.602 1.00 0.00 C ATOM 1598 CZ TYR A 98 -6.856 13.559 -9.984 1.00 0.00 C ATOM 1599 OH TYR A 98 -7.971 14.223 -9.529 1.00 0.00 O ATOM 0 H TYR A 98 -4.596 12.310 -13.481 1.00 0.00 H new ATOM 0 HA TYR A 98 -2.486 10.376 -12.956 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -3.021 10.817 -10.590 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -2.545 12.244 -11.489 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -5.544 10.467 -10.139 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -3.931 14.155 -11.531 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -7.542 11.646 -9.327 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -5.930 15.333 -10.734 1.00 0.00 H new ATOM 0 HH TYR A 98 -7.886 15.179 -9.727 1.00 0.00 H new ATOM 1609 N ILE A 99 -5.482 9.470 -13.259 1.00 0.00 N ATOM 1610 CA ILE A 99 -6.352 8.308 -13.245 1.00 0.00 C ATOM 1611 C ILE A 99 -5.831 7.271 -14.214 1.00 0.00 C ATOM 1612 O ILE A 99 -5.754 7.493 -15.425 1.00 0.00 O ATOM 1613 CB ILE A 99 -7.822 8.670 -13.550 1.00 0.00 C ATOM 1614 CG1 ILE A 99 -8.469 9.170 -12.268 1.00 0.00 C ATOM 1615 CG2 ILE A 99 -8.593 7.475 -14.104 1.00 0.00 C ATOM 1616 CD1 ILE A 99 -9.576 10.178 -12.491 1.00 0.00 C ATOM 0 H ILE A 99 -5.780 10.218 -13.884 1.00 0.00 H new ATOM 0 HA ILE A 99 -6.343 7.893 -12.237 1.00 0.00 H new ATOM 0 HB ILE A 99 -7.846 9.447 -14.314 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -8.872 8.318 -11.720 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -7.702 9.621 -11.638 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -9.623 7.769 -14.306 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -8.124 7.136 -15.028 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -8.583 6.666 -13.374 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -9.987 10.486 -11.529 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -9.176 11.049 -13.010 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -10.364 9.726 -13.094 1.00 0.00 H new ATOM 1628 N LYS A 100 -5.440 6.156 -13.647 1.00 0.00 N ATOM 1629 CA LYS A 100 -4.811 5.078 -14.390 1.00 0.00 C ATOM 1630 C LYS A 100 -5.475 3.754 -14.016 1.00 0.00 C ATOM 1631 O LYS A 100 -6.387 3.735 -13.193 1.00 0.00 O ATOM 1632 CB LYS A 100 -3.307 5.055 -14.087 1.00 0.00 C ATOM 1633 CG LYS A 100 -2.658 6.429 -14.199 1.00 0.00 C ATOM 1634 CD LYS A 100 -1.224 6.430 -13.696 1.00 0.00 C ATOM 1635 CE LYS A 100 -0.668 7.846 -13.595 1.00 0.00 C ATOM 1636 NZ LYS A 100 -0.697 8.560 -14.900 1.00 0.00 N ATOM 0 H LYS A 100 -5.547 5.964 -12.651 1.00 0.00 H new ATOM 0 HA LYS A 100 -4.937 5.235 -15.461 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -3.150 4.666 -13.081 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -2.813 4.369 -14.775 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -2.676 6.754 -15.239 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -3.242 7.152 -13.629 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -1.180 5.950 -12.718 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -0.601 5.841 -14.369 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -1.246 8.409 -12.863 1.00 0.00 H new ATOM 0 HE3 LYS A 100 0.358 7.806 -13.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 0.183 9.102 -15.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -0.785 7.869 -15.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -1.509 9.209 -14.923 1.00 0.00 H new ATOM 1650 N VAL A 101 -5.027 2.655 -14.600 1.00 0.00 N ATOM 1651 CA VAL A 101 -5.687 1.367 -14.400 1.00 0.00 C ATOM 1652 C VAL A 101 -4.960 0.512 -13.361 1.00 0.00 C ATOM 1653 O VAL A 101 -3.753 0.300 -13.459 1.00 0.00 O ATOM 1654 CB VAL A 101 -5.784 0.578 -15.725 1.00 0.00 C ATOM 1655 CG1 VAL A 101 -6.506 -0.748 -15.525 1.00 0.00 C ATOM 1656 CG2 VAL A 101 -6.481 1.409 -16.791 1.00 0.00 C ATOM 0 H VAL A 101 -4.213 2.624 -15.214 1.00 0.00 H new ATOM 0 HA VAL A 101 -6.690 1.585 -14.034 1.00 0.00 H new ATOM 0 HB VAL A 101 -4.770 0.361 -16.061 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -6.559 -1.280 -16.475 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -5.962 -1.353 -14.800 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -7.515 -0.561 -15.157 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -6.540 0.837 -17.717 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -7.487 1.662 -16.456 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -5.916 2.325 -16.965 1.00 0.00 H new ATOM 1666 N ASP A 102 -5.701 0.037 -12.362 1.00 0.00 N ATOM 1667 CA ASP A 102 -5.164 -0.913 -11.394 1.00 0.00 C ATOM 1668 C ASP A 102 -5.095 -2.301 -12.017 1.00 0.00 C ATOM 1669 O ASP A 102 -6.101 -3.004 -12.126 1.00 0.00 O ATOM 1670 CB ASP A 102 -6.018 -0.952 -10.125 1.00 0.00 C ATOM 1671 CG ASP A 102 -5.448 -1.874 -9.062 1.00 0.00 C ATOM 1672 OD1 ASP A 102 -4.604 -1.424 -8.264 1.00 0.00 O ATOM 1673 OD2 ASP A 102 -5.863 -3.053 -8.992 1.00 0.00 O ATOM 0 H ASP A 102 -6.675 0.295 -12.203 1.00 0.00 H new ATOM 0 HA ASP A 102 -4.161 -0.588 -11.117 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -6.103 0.056 -9.718 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -7.026 -1.279 -10.381 1.00 0.00 H new ATOM 1678 N TRP A 103 -3.902 -2.670 -12.442 1.00 0.00 N ATOM 1679 CA TRP A 103 -3.670 -3.927 -13.146 1.00 0.00 C ATOM 1680 C TRP A 103 -3.637 -5.129 -12.199 1.00 0.00 C ATOM 1681 O TRP A 103 -3.483 -6.269 -12.640 1.00 0.00 O ATOM 1682 CB TRP A 103 -2.349 -3.835 -13.913 1.00 0.00 C ATOM 1683 CG TRP A 103 -1.231 -3.265 -13.089 1.00 0.00 C ATOM 1684 CD1 TRP A 103 -0.570 -3.882 -12.068 1.00 0.00 C ATOM 1685 CD2 TRP A 103 -0.657 -1.958 -13.210 1.00 0.00 C ATOM 1686 NE1 TRP A 103 0.375 -3.037 -11.540 1.00 0.00 N ATOM 1687 CE2 TRP A 103 0.344 -1.851 -12.227 1.00 0.00 C ATOM 1688 CE3 TRP A 103 -0.891 -0.869 -14.054 1.00 0.00 C ATOM 1689 CZ2 TRP A 103 1.110 -0.697 -12.066 1.00 0.00 C ATOM 1690 CZ3 TRP A 103 -0.133 0.275 -13.893 1.00 0.00 C ATOM 1691 CH2 TRP A 103 0.859 0.353 -12.908 1.00 0.00 C ATOM 0 H TRP A 103 -3.061 -2.108 -12.311 1.00 0.00 H new ATOM 0 HA TRP A 103 -4.501 -4.083 -13.833 1.00 0.00 H new ATOM 0 HB2 TRP A 103 -2.067 -4.829 -14.260 1.00 0.00 H new ATOM 0 HB3 TRP A 103 -2.492 -3.216 -14.799 1.00 0.00 H new ATOM 0 HD1 TRP A 103 -0.762 -4.888 -11.725 1.00 0.00 H new ATOM 0 HE1 TRP A 103 0.999 -3.256 -10.763 1.00 0.00 H new ATOM 0 HE3 TRP A 103 -1.651 -0.921 -14.819 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 1.874 -0.634 -11.305 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 -0.309 1.123 -14.538 1.00 0.00 H new ATOM 0 HH2 TRP A 103 1.438 1.260 -12.810 1.00 0.00 H new ATOM 1702 N ASN A 104 -3.785 -4.880 -10.907 1.00 0.00 N ATOM 1703 CA ASN A 104 -3.610 -5.930 -9.913 1.00 0.00 C ATOM 1704 C ASN A 104 -4.942 -6.574 -9.539 1.00 0.00 C ATOM 1705 O ASN A 104 -5.049 -7.799 -9.457 1.00 0.00 O ATOM 1706 CB ASN A 104 -2.918 -5.368 -8.666 1.00 0.00 C ATOM 1707 CG ASN A 104 -2.490 -6.454 -7.696 1.00 0.00 C ATOM 1708 OD1 ASN A 104 -2.213 -7.586 -8.090 1.00 0.00 O ATOM 1709 ND2 ASN A 104 -2.399 -6.109 -6.422 1.00 0.00 N ATOM 0 H ASN A 104 -4.024 -3.966 -10.523 1.00 0.00 H new ATOM 0 HA ASN A 104 -2.980 -6.704 -10.351 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -2.044 -4.792 -8.969 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -3.594 -4.679 -8.159 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -2.091 -6.792 -5.730 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -2.637 -5.160 -6.132 1.00 0.00 H new ATOM 1716 N LYS A 105 -5.963 -5.754 -9.326 1.00 0.00 N ATOM 1717 CA LYS A 105 -7.259 -6.255 -8.880 1.00 0.00 C ATOM 1718 C LYS A 105 -8.290 -6.219 -10.007 1.00 0.00 C ATOM 1719 O LYS A 105 -9.490 -6.377 -9.767 1.00 0.00 O ATOM 1720 CB LYS A 105 -7.757 -5.436 -7.691 1.00 0.00 C ATOM 1721 CG LYS A 105 -6.799 -5.436 -6.509 1.00 0.00 C ATOM 1722 CD LYS A 105 -7.322 -4.590 -5.358 1.00 0.00 C ATOM 1723 CE LYS A 105 -7.527 -3.139 -5.766 1.00 0.00 C ATOM 1724 NZ LYS A 105 -6.274 -2.518 -6.279 1.00 0.00 N ATOM 0 H LYS A 105 -5.921 -4.743 -9.454 1.00 0.00 H new ATOM 0 HA LYS A 105 -7.129 -7.294 -8.576 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -7.924 -4.408 -8.013 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -8.721 -5.829 -7.367 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -6.644 -6.459 -6.167 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -5.828 -5.056 -6.828 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -8.266 -5.004 -5.003 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -6.620 -4.637 -4.525 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -8.299 -3.085 -6.534 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -7.889 -2.570 -4.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -6.452 -1.520 -6.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -5.534 -2.576 -5.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -5.960 -3.023 -7.132 1.00 0.00 H new ATOM 1738 N TRP A 106 -7.817 -6.017 -11.228 1.00 0.00 N ATOM 1739 CA TRP A 106 -8.689 -6.008 -12.393 1.00 0.00 C ATOM 1740 C TRP A 106 -9.294 -7.395 -12.600 1.00 0.00 C ATOM 1741 O TRP A 106 -8.611 -8.409 -12.442 1.00 0.00 O ATOM 1742 CB TRP A 106 -7.907 -5.574 -13.632 1.00 0.00 C ATOM 1743 CG TRP A 106 -8.653 -4.600 -14.482 1.00 0.00 C ATOM 1744 CD1 TRP A 106 -8.918 -3.296 -14.180 1.00 0.00 C ATOM 1745 CD2 TRP A 106 -9.225 -4.841 -15.769 1.00 0.00 C ATOM 1746 NE1 TRP A 106 -9.629 -2.711 -15.198 1.00 0.00 N ATOM 1747 CE2 TRP A 106 -9.827 -3.639 -16.187 1.00 0.00 C ATOM 1748 CE3 TRP A 106 -9.290 -5.955 -16.608 1.00 0.00 C ATOM 1749 CZ2 TRP A 106 -10.485 -3.522 -17.407 1.00 0.00 C ATOM 1750 CZ3 TRP A 106 -9.941 -5.836 -17.820 1.00 0.00 C ATOM 1751 CH2 TRP A 106 -10.531 -4.628 -18.209 1.00 0.00 C ATOM 0 H TRP A 106 -6.832 -5.857 -11.438 1.00 0.00 H new ATOM 0 HA TRP A 106 -9.497 -5.295 -12.228 1.00 0.00 H new ATOM 0 HB2 TRP A 106 -6.963 -5.127 -13.321 1.00 0.00 H new ATOM 0 HB3 TRP A 106 -7.662 -6.454 -14.227 1.00 0.00 H new ATOM 0 HD1 TRP A 106 -8.613 -2.797 -13.272 1.00 0.00 H new ATOM 0 HE1 TRP A 106 -9.956 -1.745 -15.216 1.00 0.00 H new ATOM 0 HE3 TRP A 106 -8.840 -6.892 -16.315 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 -10.943 -2.592 -17.709 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 -9.996 -6.690 -18.479 1.00 0.00 H new ATOM 0 HH2 TRP A 106 -11.033 -4.568 -19.163 1.00 0.00 H new