USER MOD reduce.3.24.130724 H: found=0, std=0, add=808, rem=0, adj=25 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 104 ASN : amide:sc= 0.0297 K(o=0.077,f=-1) USER MOD Set 1.2: A 105 LYS NZ :NH3+ -118:sc= 0.0469 (180deg=0) USER MOD Single : A 2 SER OG : rot -38:sc= 1.08 USER MOD Single : A 4 ASN : amide:sc= -0.164 X(o=-0.16,f=0) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ -125:sc= 0.373 (180deg=-1.04!) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 153:sc= 1.28 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 53:sc= 0.301 USER MOD Single : A 31 LYS NZ :NH3+ -167:sc= -0.0548 (180deg=-0.317) USER MOD Single : A 32 CYS SG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 39 SER OG : rot 22:sc= -0.172 USER MOD Single : A 41 SER OG : rot 150:sc= -0.598 USER MOD Single : A 46 GLN : amide:sc= -0.338 X(o=-0.34,f=-0.34) 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+ 143:sc= 0.0247 (180deg=0) USER MOD Single : A 61 MET CE :methyl -163:sc= 0 (180deg=-0.501) USER MOD Single : A 62 THR OG1 : rot -25:sc= 0.508 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 168:sc=-0.00931 (180deg=-0.158) USER MOD Single : A 67 ASN : amide:sc= -0.0192 X(o=-0.019,f=-0.014) USER MOD Single : A 72 ASN : amide:sc= -0.139 K(o=-0.14,f=-2.1!) USER MOD Single : A 76 SER OG : rot 89:sc= 0.245 USER MOD Single : A 78 GLN : amide:sc= 1.12 K(o=1.1,f=-0.45) USER MOD Single : A 79 LYS NZ :NH3+ -142:sc= 0.245 (180deg=-0.0603) USER MOD Single : A 90 LYS NZ :NH3+ 168:sc= -0.0147 (180deg=-0.178) USER MOD Single : A 91 SER OG : rot 132:sc= 1.14 USER MOD Single : A 94 LYS NZ :NH3+ -162:sc= 1.16 (180deg=1) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ -161:sc= 1.14 (180deg=1.11) USER MOD ----------------------------------------------------------------- ATOM 14 N SER A 2 -5.217 21.576 -3.657 1.00 0.00 N ATOM 15 CA SER A 2 -5.338 20.551 -4.679 1.00 0.00 C ATOM 16 C SER A 2 -4.052 19.745 -4.834 1.00 0.00 C ATOM 17 O SER A 2 -3.113 20.168 -5.512 1.00 0.00 O ATOM 18 CB SER A 2 -5.734 21.197 -6.004 1.00 0.00 C ATOM 19 OG SER A 2 -6.891 22.001 -5.839 1.00 0.00 O ATOM 0 HA SER A 2 -6.115 19.852 -4.369 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.911 21.806 -6.379 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.924 20.425 -6.749 1.00 0.00 H new ATOM 0 HG SER A 2 -7.505 21.566 -5.212 1.00 0.00 H new ATOM 25 N ARG A 3 -4.014 18.601 -4.169 1.00 0.00 N ATOM 26 CA ARG A 3 -2.939 17.639 -4.340 1.00 0.00 C ATOM 27 C ARG A 3 -3.543 16.261 -4.578 1.00 0.00 C ATOM 28 O ARG A 3 -4.585 15.930 -4.007 1.00 0.00 O ATOM 29 CB ARG A 3 -2.016 17.625 -3.116 1.00 0.00 C ATOM 30 CG ARG A 3 -0.838 16.671 -3.255 1.00 0.00 C ATOM 31 CD ARG A 3 0.110 16.761 -2.072 1.00 0.00 C ATOM 32 NE ARG A 3 1.151 15.733 -2.138 1.00 0.00 N ATOM 33 CZ ARG A 3 2.257 15.740 -1.392 1.00 0.00 C ATOM 34 NH1 ARG A 3 2.498 16.738 -0.553 1.00 0.00 N ATOM 35 NH2 ARG A 3 3.127 14.745 -1.492 1.00 0.00 N ATOM 0 H ARG A 3 -4.726 18.315 -3.497 1.00 0.00 H new ATOM 0 HA ARG A 3 -2.334 17.924 -5.201 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -1.639 18.633 -2.944 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -2.596 17.347 -2.236 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -1.208 15.650 -3.346 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -0.295 16.897 -4.173 1.00 0.00 H new ATOM 0 HD2 ARG A 3 0.573 17.748 -2.050 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -0.452 16.652 -1.145 1.00 0.00 H new ATOM 0 HE ARG A 3 1.022 14.964 -2.795 1.00 0.00 H new ATOM 0 HH11 ARG A 3 1.835 17.509 -0.474 1.00 0.00 H new ATOM 0 HH12 ARG A 3 3.346 16.735 0.013 1.00 0.00 H new ATOM 0 HH21 ARG A 3 2.950 13.976 -2.138 1.00 0.00 H new ATOM 0 HH22 ARG A 3 3.973 14.748 -0.923 1.00 0.00 H new ATOM 49 N ASN A 4 -2.902 15.475 -5.430 1.00 0.00 N ATOM 50 CA ASN A 4 -3.418 14.166 -5.810 1.00 0.00 C ATOM 51 C ASN A 4 -2.296 13.134 -5.903 1.00 0.00 C ATOM 52 O ASN A 4 -1.189 13.448 -6.341 1.00 0.00 O ATOM 53 CB ASN A 4 -4.145 14.257 -7.156 1.00 0.00 C ATOM 54 CG ASN A 4 -3.276 14.859 -8.247 1.00 0.00 C ATOM 55 OD1 ASN A 4 -3.276 16.072 -8.460 1.00 0.00 O ATOM 56 ND2 ASN A 4 -2.522 14.022 -8.941 1.00 0.00 N ATOM 0 H ASN A 4 -2.018 15.722 -5.874 1.00 0.00 H new ATOM 0 HA ASN A 4 -4.117 13.845 -5.038 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -4.466 13.261 -7.460 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -5.045 14.860 -7.039 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -1.915 14.376 -9.680 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -2.548 13.023 -8.737 1.00 0.00 H new ATOM 63 N PRO A 5 -2.563 11.894 -5.463 1.00 0.00 N ATOM 64 CA PRO A 5 -1.642 10.780 -5.583 1.00 0.00 C ATOM 65 C PRO A 5 -1.983 9.884 -6.779 1.00 0.00 C ATOM 66 O PRO A 5 -2.581 10.342 -7.758 1.00 0.00 O ATOM 67 CB PRO A 5 -1.883 10.047 -4.262 1.00 0.00 C ATOM 68 CG PRO A 5 -3.322 10.309 -3.921 1.00 0.00 C ATOM 69 CD PRO A 5 -3.785 11.471 -4.772 1.00 0.00 C ATOM 0 HA PRO A 5 -0.608 11.081 -5.752 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -1.691 8.979 -4.364 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -1.220 10.417 -3.480 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -3.929 9.425 -4.115 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -3.429 10.543 -2.862 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -4.561 11.170 -5.476 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -4.201 12.274 -4.164 1.00 0.00 H new ATOM 77 N GLU A 6 -1.597 8.614 -6.697 1.00 0.00 N ATOM 78 CA GLU A 6 -1.889 7.648 -7.751 1.00 0.00 C ATOM 79 C GLU A 6 -3.322 7.131 -7.604 1.00 0.00 C ATOM 80 O GLU A 6 -3.658 6.520 -6.587 1.00 0.00 O ATOM 81 CB GLU A 6 -0.910 6.476 -7.650 1.00 0.00 C ATOM 82 CG GLU A 6 -0.773 5.668 -8.928 1.00 0.00 C ATOM 83 CD GLU A 6 0.225 6.275 -9.891 1.00 0.00 C ATOM 84 OE1 GLU A 6 -0.119 7.260 -10.580 1.00 0.00 O ATOM 85 OE2 GLU A 6 1.367 5.768 -9.964 1.00 0.00 O ATOM 0 H GLU A 6 -1.079 8.229 -5.907 1.00 0.00 H new ATOM 0 HA GLU A 6 -1.783 8.133 -8.722 1.00 0.00 H new ATOM 0 HB2 GLU A 6 0.071 6.860 -7.369 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -1.235 5.814 -6.848 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -0.464 4.652 -8.681 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -1.746 5.596 -9.415 1.00 0.00 H new ATOM 92 N VAL A 7 -4.165 7.379 -8.601 1.00 0.00 N ATOM 93 CA VAL A 7 -5.556 6.942 -8.552 1.00 0.00 C ATOM 94 C VAL A 7 -5.852 5.959 -9.684 1.00 0.00 C ATOM 95 O VAL A 7 -5.849 6.328 -10.859 1.00 0.00 O ATOM 96 CB VAL A 7 -6.535 8.134 -8.648 1.00 0.00 C ATOM 97 CG1 VAL A 7 -7.976 7.657 -8.538 1.00 0.00 C ATOM 98 CG2 VAL A 7 -6.233 9.173 -7.578 1.00 0.00 C ATOM 0 H VAL A 7 -3.910 7.880 -9.452 1.00 0.00 H new ATOM 0 HA VAL A 7 -5.701 6.450 -7.590 1.00 0.00 H new ATOM 0 HB VAL A 7 -6.401 8.602 -9.623 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -8.649 8.512 -8.608 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -8.191 6.959 -9.347 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -8.122 7.158 -7.580 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -6.936 10.002 -7.667 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -6.330 8.719 -6.592 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -5.216 9.544 -7.708 1.00 0.00 H new ATOM 108 N LEU A 8 -6.090 4.704 -9.329 1.00 0.00 N ATOM 109 CA LEU A 8 -6.383 3.678 -10.313 1.00 0.00 C ATOM 110 C LEU A 8 -7.798 3.144 -10.122 1.00 0.00 C ATOM 111 O LEU A 8 -8.314 3.133 -9.007 1.00 0.00 O ATOM 112 CB LEU A 8 -5.381 2.535 -10.175 1.00 0.00 C ATOM 113 CG LEU A 8 -3.924 2.961 -10.063 1.00 0.00 C ATOM 114 CD1 LEU A 8 -3.048 1.768 -9.714 1.00 0.00 C ATOM 115 CD2 LEU A 8 -3.449 3.612 -11.353 1.00 0.00 C ATOM 0 H LEU A 8 -6.085 4.374 -8.364 1.00 0.00 H new ATOM 0 HA LEU A 8 -6.305 4.115 -11.309 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -5.641 1.950 -9.293 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -5.485 1.876 -11.037 1.00 0.00 H new ATOM 0 HG LEU A 8 -3.844 3.697 -9.263 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -2.009 2.089 -9.638 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -3.369 1.347 -8.761 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -3.137 1.011 -10.493 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -2.405 3.908 -11.248 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -3.545 2.903 -12.175 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -4.057 4.493 -11.561 1.00 0.00 H new ATOM 127 N TRP A 9 -8.431 2.720 -11.204 1.00 0.00 N ATOM 128 CA TRP A 9 -9.745 2.102 -11.110 1.00 0.00 C ATOM 129 C TRP A 9 -9.779 0.790 -11.880 1.00 0.00 C ATOM 130 O TRP A 9 -9.004 0.582 -12.815 1.00 0.00 O ATOM 131 CB TRP A 9 -10.841 3.038 -11.631 1.00 0.00 C ATOM 132 CG TRP A 9 -10.792 3.272 -13.111 1.00 0.00 C ATOM 133 CD1 TRP A 9 -9.927 4.082 -13.779 1.00 0.00 C ATOM 134 CD2 TRP A 9 -11.650 2.694 -14.102 1.00 0.00 C ATOM 135 NE1 TRP A 9 -10.196 4.055 -15.128 1.00 0.00 N ATOM 136 CE2 TRP A 9 -11.251 3.208 -15.351 1.00 0.00 C ATOM 137 CE3 TRP A 9 -12.719 1.793 -14.055 1.00 0.00 C ATOM 138 CZ2 TRP A 9 -11.888 2.852 -16.539 1.00 0.00 C ATOM 139 CZ3 TRP A 9 -13.343 1.438 -15.234 1.00 0.00 C ATOM 140 CH2 TRP A 9 -12.929 1.969 -16.460 1.00 0.00 C ATOM 0 H TRP A 9 -8.060 2.791 -12.151 1.00 0.00 H new ATOM 0 HA TRP A 9 -9.937 1.901 -10.056 1.00 0.00 H new ATOM 0 HB2 TRP A 9 -11.814 2.621 -11.372 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -10.759 3.997 -11.119 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -9.142 4.663 -13.317 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -9.693 4.579 -15.844 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -13.050 1.382 -13.113 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -11.571 3.259 -17.488 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -14.165 0.738 -15.209 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -13.443 1.675 -17.364 1.00 0.00 H new ATOM 151 N ALA A 10 -10.677 -0.085 -11.476 1.00 0.00 N ATOM 152 CA ALA A 10 -10.853 -1.375 -12.120 1.00 0.00 C ATOM 153 C ALA A 10 -12.328 -1.737 -12.155 1.00 0.00 C ATOM 154 O ALA A 10 -13.011 -1.671 -11.134 1.00 0.00 O ATOM 155 CB ALA A 10 -10.061 -2.444 -11.385 1.00 0.00 C ATOM 0 H ALA A 10 -11.308 0.077 -10.691 1.00 0.00 H new ATOM 0 HA ALA A 10 -10.481 -1.314 -13.143 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -10.202 -3.405 -11.879 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -9.003 -2.183 -11.394 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -10.409 -2.511 -10.354 1.00 0.00 H new ATOM 161 N GLN A 11 -12.824 -2.119 -13.318 1.00 0.00 N ATOM 162 CA GLN A 11 -14.233 -2.453 -13.454 1.00 0.00 C ATOM 163 C GLN A 11 -14.437 -3.963 -13.381 1.00 0.00 C ATOM 164 O GLN A 11 -13.591 -4.742 -13.823 1.00 0.00 O ATOM 165 CB GLN A 11 -14.804 -1.896 -14.765 1.00 0.00 C ATOM 166 CG GLN A 11 -14.121 -2.432 -16.015 1.00 0.00 C ATOM 167 CD GLN A 11 -14.785 -1.958 -17.296 1.00 0.00 C ATOM 168 OE1 GLN A 11 -15.351 -0.868 -17.356 1.00 0.00 O ATOM 169 NE2 GLN A 11 -14.725 -2.782 -18.330 1.00 0.00 N ATOM 0 H GLN A 11 -12.279 -2.206 -14.176 1.00 0.00 H new ATOM 0 HA GLN A 11 -14.771 -1.992 -12.626 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -15.867 -2.131 -14.815 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -14.718 -0.809 -14.754 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -13.077 -2.120 -16.015 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -14.128 -3.522 -15.989 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -14.246 -3.678 -18.241 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -15.158 -2.521 -19.216 1.00 0.00 H new ATOM 178 N ARG A 12 -15.548 -4.364 -12.787 1.00 0.00 N ATOM 179 CA ARG A 12 -15.895 -5.768 -12.661 1.00 0.00 C ATOM 180 C ARG A 12 -17.326 -5.964 -13.167 1.00 0.00 C ATOM 181 O ARG A 12 -17.866 -5.072 -13.822 1.00 0.00 O ATOM 182 CB ARG A 12 -15.727 -6.206 -11.199 1.00 0.00 C ATOM 183 CG ARG A 12 -15.624 -7.710 -11.004 1.00 0.00 C ATOM 184 CD ARG A 12 -15.155 -8.065 -9.603 1.00 0.00 C ATOM 185 NE ARG A 12 -13.761 -7.685 -9.380 1.00 0.00 N ATOM 186 CZ ARG A 12 -12.816 -8.537 -8.971 1.00 0.00 C ATOM 187 NH1 ARG A 12 -13.106 -9.820 -8.789 1.00 0.00 N ATOM 188 NH2 ARG A 12 -11.574 -8.115 -8.765 1.00 0.00 N ATOM 0 H ARG A 12 -16.233 -3.727 -12.380 1.00 0.00 H new ATOM 0 HA ARG A 12 -15.234 -6.392 -13.263 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -14.831 -5.737 -10.792 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -16.573 -5.834 -10.621 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -16.595 -8.168 -11.189 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -14.931 -8.125 -11.736 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -15.789 -7.565 -8.871 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -15.269 -9.137 -9.443 1.00 0.00 H new ATOM 0 HE ARG A 12 -13.495 -6.715 -9.546 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -14.053 -10.158 -8.961 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -12.382 -10.467 -8.477 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -11.336 -7.135 -8.919 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -10.858 -8.771 -8.453 1.00 0.00 H new ATOM 202 N SER A 13 -17.933 -7.109 -12.883 1.00 0.00 N ATOM 203 CA SER A 13 -19.253 -7.424 -13.416 1.00 0.00 C ATOM 204 C SER A 13 -20.308 -6.468 -12.858 1.00 0.00 C ATOM 205 O SER A 13 -20.911 -5.695 -13.603 1.00 0.00 O ATOM 206 CB SER A 13 -19.621 -8.879 -13.098 1.00 0.00 C ATOM 207 OG SER A 13 -20.726 -9.311 -13.875 1.00 0.00 O ATOM 0 H SER A 13 -17.534 -7.834 -12.288 1.00 0.00 H new ATOM 0 HA SER A 13 -19.225 -7.300 -14.499 1.00 0.00 H new ATOM 0 HB2 SER A 13 -18.764 -9.524 -13.291 1.00 0.00 H new ATOM 0 HB3 SER A 13 -19.859 -8.973 -12.039 1.00 0.00 H new ATOM 0 HG SER A 13 -20.938 -10.242 -13.653 1.00 0.00 H new ATOM 213 N ASP A 14 -20.510 -6.502 -11.549 1.00 0.00 N ATOM 214 CA ASP A 14 -21.550 -5.692 -10.917 1.00 0.00 C ATOM 215 C ASP A 14 -20.948 -4.561 -10.088 1.00 0.00 C ATOM 216 O ASP A 14 -21.638 -3.610 -9.726 1.00 0.00 O ATOM 217 CB ASP A 14 -22.430 -6.562 -10.017 1.00 0.00 C ATOM 218 CG ASP A 14 -21.686 -7.079 -8.802 1.00 0.00 C ATOM 219 OD1 ASP A 14 -20.936 -8.062 -8.930 1.00 0.00 O ATOM 220 OD2 ASP A 14 -21.833 -6.494 -7.711 1.00 0.00 O ATOM 0 H ASP A 14 -19.971 -7.079 -10.903 1.00 0.00 H new ATOM 0 HA ASP A 14 -22.154 -5.257 -11.713 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -23.294 -5.983 -9.691 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -22.810 -7.406 -10.592 1.00 0.00 H new ATOM 225 N LYS A 15 -19.660 -4.658 -9.798 1.00 0.00 N ATOM 226 CA LYS A 15 -19.014 -3.695 -8.915 1.00 0.00 C ATOM 227 C LYS A 15 -17.790 -3.063 -9.568 1.00 0.00 C ATOM 228 O LYS A 15 -17.332 -3.502 -10.623 1.00 0.00 O ATOM 229 CB LYS A 15 -18.636 -4.372 -7.594 1.00 0.00 C ATOM 230 CG LYS A 15 -17.878 -5.677 -7.771 1.00 0.00 C ATOM 231 CD LYS A 15 -17.617 -6.361 -6.437 1.00 0.00 C ATOM 232 CE LYS A 15 -18.909 -6.721 -5.718 1.00 0.00 C ATOM 233 NZ LYS A 15 -19.706 -7.729 -6.464 1.00 0.00 N ATOM 0 H LYS A 15 -19.044 -5.387 -10.157 1.00 0.00 H new ATOM 0 HA LYS A 15 -19.722 -2.891 -8.714 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -18.027 -3.686 -7.005 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -19.544 -4.564 -7.022 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -18.448 -6.345 -8.417 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -16.930 -5.482 -8.272 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -17.030 -7.265 -6.602 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -17.021 -5.704 -5.804 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -18.675 -7.108 -4.726 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -19.507 -5.821 -5.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -20.666 -7.362 -6.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -19.251 -7.923 -7.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -19.760 -8.608 -5.911 1.00 0.00 H new ATOM 247 N VAL A 16 -17.279 -2.017 -8.935 1.00 0.00 N ATOM 248 CA VAL A 16 -16.111 -1.303 -9.417 1.00 0.00 C ATOM 249 C VAL A 16 -15.130 -1.075 -8.268 1.00 0.00 C ATOM 250 O VAL A 16 -15.535 -0.811 -7.134 1.00 0.00 O ATOM 251 CB VAL A 16 -16.500 0.050 -10.063 1.00 0.00 C ATOM 252 CG1 VAL A 16 -17.252 0.933 -9.080 1.00 0.00 C ATOM 253 CG2 VAL A 16 -15.270 0.769 -10.598 1.00 0.00 C ATOM 0 H VAL A 16 -17.666 -1.640 -8.070 1.00 0.00 H new ATOM 0 HA VAL A 16 -15.635 -1.914 -10.184 1.00 0.00 H new ATOM 0 HB VAL A 16 -17.164 -0.161 -10.901 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -17.511 1.875 -9.562 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -18.162 0.427 -8.759 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -16.622 1.131 -8.213 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -15.569 1.716 -11.047 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -14.575 0.958 -9.780 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -14.784 0.148 -11.351 1.00 0.00 H new ATOM 263 N TYR A 17 -13.845 -1.211 -8.557 1.00 0.00 N ATOM 264 CA TYR A 17 -12.814 -1.029 -7.551 1.00 0.00 C ATOM 265 C TYR A 17 -12.026 0.239 -7.820 1.00 0.00 C ATOM 266 O TYR A 17 -11.643 0.523 -8.957 1.00 0.00 O ATOM 267 CB TYR A 17 -11.862 -2.230 -7.511 1.00 0.00 C ATOM 268 CG TYR A 17 -12.465 -3.484 -6.910 1.00 0.00 C ATOM 269 CD1 TYR A 17 -13.733 -3.905 -7.271 1.00 0.00 C ATOM 270 CD2 TYR A 17 -11.755 -4.252 -5.997 1.00 0.00 C ATOM 271 CE1 TYR A 17 -14.282 -5.054 -6.741 1.00 0.00 C ATOM 272 CE2 TYR A 17 -12.298 -5.403 -5.458 1.00 0.00 C ATOM 273 CZ TYR A 17 -13.563 -5.800 -5.835 1.00 0.00 C ATOM 274 OH TYR A 17 -14.106 -6.947 -5.307 1.00 0.00 O ATOM 0 H TYR A 17 -13.492 -1.448 -9.484 1.00 0.00 H new ATOM 0 HA TYR A 17 -13.308 -0.945 -6.583 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -11.531 -2.450 -8.526 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -10.975 -1.957 -6.939 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -14.303 -3.323 -7.980 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -10.762 -3.945 -5.703 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -15.273 -5.367 -7.036 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -11.735 -5.988 -4.746 1.00 0.00 H new ATOM 0 HH TYR A 17 -13.468 -7.355 -4.685 1.00 0.00 H new ATOM 284 N LEU A 18 -11.807 1.001 -6.772 1.00 0.00 N ATOM 285 CA LEU A 18 -10.997 2.207 -6.846 1.00 0.00 C ATOM 286 C LEU A 18 -9.772 2.028 -5.959 1.00 0.00 C ATOM 287 O LEU A 18 -9.896 1.910 -4.742 1.00 0.00 O ATOM 288 CB LEU A 18 -11.822 3.427 -6.396 1.00 0.00 C ATOM 289 CG LEU A 18 -11.320 4.807 -6.856 1.00 0.00 C ATOM 290 CD1 LEU A 18 -9.998 5.176 -6.197 1.00 0.00 C ATOM 291 CD2 LEU A 18 -11.190 4.849 -8.371 1.00 0.00 C ATOM 0 H LEU A 18 -12.182 0.807 -5.844 1.00 0.00 H new ATOM 0 HA LEU A 18 -10.677 2.378 -7.874 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -12.843 3.299 -6.755 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -11.865 3.426 -5.307 1.00 0.00 H new ATOM 0 HG LEU A 18 -12.059 5.545 -6.545 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -9.678 6.157 -6.548 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -10.126 5.202 -5.115 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -9.243 4.434 -6.456 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -10.834 5.832 -8.679 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -10.481 4.088 -8.697 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -12.162 4.657 -8.825 1.00 0.00 H new ATOM 303 N THR A 19 -8.598 2.002 -6.563 1.00 0.00 N ATOM 304 CA THR A 19 -7.376 1.779 -5.821 1.00 0.00 C ATOM 305 C THR A 19 -6.515 3.041 -5.828 1.00 0.00 C ATOM 306 O THR A 19 -5.867 3.365 -6.824 1.00 0.00 O ATOM 307 CB THR A 19 -6.583 0.589 -6.405 1.00 0.00 C ATOM 308 OG1 THR A 19 -7.427 -0.574 -6.477 1.00 0.00 O ATOM 309 CG2 THR A 19 -5.363 0.273 -5.552 1.00 0.00 C ATOM 0 H THR A 19 -8.467 2.133 -7.566 1.00 0.00 H new ATOM 0 HA THR A 19 -7.643 1.538 -4.792 1.00 0.00 H new ATOM 0 HB THR A 19 -6.247 0.865 -7.405 1.00 0.00 H new ATOM 0 HG1 THR A 19 -7.117 -1.159 -7.199 1.00 0.00 H new ATOM 0 HG21 THR A 19 -4.823 -0.569 -5.986 1.00 0.00 H new ATOM 0 HG22 THR A 19 -4.709 1.144 -5.516 1.00 0.00 H new ATOM 0 HG23 THR A 19 -5.682 0.017 -4.542 1.00 0.00 H new ATOM 317 N VAL A 20 -6.534 3.765 -4.721 1.00 0.00 N ATOM 318 CA VAL A 20 -5.769 4.993 -4.608 1.00 0.00 C ATOM 319 C VAL A 20 -4.580 4.791 -3.674 1.00 0.00 C ATOM 320 O VAL A 20 -4.722 4.268 -2.566 1.00 0.00 O ATOM 321 CB VAL A 20 -6.651 6.178 -4.130 1.00 0.00 C ATOM 322 CG1 VAL A 20 -7.287 5.895 -2.778 1.00 0.00 C ATOM 323 CG2 VAL A 20 -5.848 7.471 -4.095 1.00 0.00 C ATOM 0 H VAL A 20 -7.071 3.523 -3.889 1.00 0.00 H new ATOM 0 HA VAL A 20 -5.397 5.247 -5.601 1.00 0.00 H new ATOM 0 HB VAL A 20 -7.459 6.297 -4.851 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -7.896 6.747 -2.477 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -7.915 5.007 -2.850 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -6.506 5.728 -2.036 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -6.487 8.287 -3.757 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -5.008 7.359 -3.409 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -5.473 7.694 -5.094 1.00 0.00 H new ATOM 333 N ALA A 21 -3.403 5.187 -4.134 1.00 0.00 N ATOM 334 CA ALA A 21 -2.187 5.038 -3.350 1.00 0.00 C ATOM 335 C ALA A 21 -2.119 6.112 -2.278 1.00 0.00 C ATOM 336 O ALA A 21 -1.898 7.286 -2.573 1.00 0.00 O ATOM 337 CB ALA A 21 -0.966 5.105 -4.253 1.00 0.00 C ATOM 0 H ALA A 21 -3.264 5.615 -5.049 1.00 0.00 H new ATOM 0 HA ALA A 21 -2.201 4.063 -2.862 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.063 4.992 -3.653 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.014 4.304 -4.990 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.944 6.067 -4.764 1.00 0.00 H new ATOM 343 N LEU A 22 -2.325 5.708 -1.035 1.00 0.00 N ATOM 344 CA LEU A 22 -2.393 6.652 0.066 1.00 0.00 C ATOM 345 C LEU A 22 -1.716 6.068 1.304 1.00 0.00 C ATOM 346 O LEU A 22 -2.278 5.199 1.972 1.00 0.00 O ATOM 347 CB LEU A 22 -3.860 6.983 0.354 1.00 0.00 C ATOM 348 CG LEU A 22 -4.104 8.311 1.064 1.00 0.00 C ATOM 349 CD1 LEU A 22 -3.498 9.455 0.267 1.00 0.00 C ATOM 350 CD2 LEU A 22 -5.595 8.534 1.260 1.00 0.00 C ATOM 0 H LEU A 22 -2.448 4.732 -0.764 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.868 7.568 -0.204 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.405 6.989 -0.590 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.283 6.183 0.961 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.624 8.278 2.042 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.680 10.396 0.786 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.424 9.299 0.165 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.955 9.492 -0.722 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -5.757 9.485 1.768 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -6.091 8.552 0.290 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -6.008 7.726 1.864 1.00 0.00 H new ATOM 362 N PRO A 23 -0.487 6.529 1.608 1.00 0.00 N ATOM 363 CA PRO A 23 0.315 5.999 2.721 1.00 0.00 C ATOM 364 C PRO A 23 -0.363 6.169 4.083 1.00 0.00 C ATOM 365 O PRO A 23 -0.614 5.187 4.791 1.00 0.00 O ATOM 366 CB PRO A 23 1.616 6.816 2.660 1.00 0.00 C ATOM 367 CG PRO A 23 1.286 8.025 1.852 1.00 0.00 C ATOM 368 CD PRO A 23 0.216 7.603 0.886 1.00 0.00 C ATOM 0 HA PRO A 23 0.467 4.924 2.621 1.00 0.00 H new ATOM 0 HB2 PRO A 23 1.954 7.091 3.659 1.00 0.00 H new ATOM 0 HB3 PRO A 23 2.419 6.242 2.198 1.00 0.00 H new ATOM 0 HG2 PRO A 23 0.936 8.836 2.490 1.00 0.00 H new ATOM 0 HG3 PRO A 23 2.166 8.392 1.323 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -0.453 8.428 0.641 1.00 0.00 H new ATOM 0 HD3 PRO A 23 0.639 7.246 -0.053 1.00 0.00 H new ATOM 376 N ASP A 24 -0.660 7.410 4.446 1.00 0.00 N ATOM 377 CA ASP A 24 -1.309 7.704 5.717 1.00 0.00 C ATOM 378 C ASP A 24 -2.251 8.883 5.549 1.00 0.00 C ATOM 379 O ASP A 24 -1.863 9.917 5.001 1.00 0.00 O ATOM 380 CB ASP A 24 -0.272 8.025 6.796 1.00 0.00 C ATOM 381 CG ASP A 24 -0.872 8.073 8.189 1.00 0.00 C ATOM 382 OD1 ASP A 24 -1.494 9.095 8.542 1.00 0.00 O ATOM 383 OD2 ASP A 24 -0.720 7.082 8.937 1.00 0.00 O ATOM 0 H ASP A 24 -0.461 8.232 3.876 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.872 6.825 6.029 1.00 0.00 H new ATOM 0 HB2 ASP A 24 0.517 7.274 6.771 1.00 0.00 H new ATOM 0 HB3 ASP A 24 0.194 8.985 6.572 1.00 0.00 H new ATOM 388 N ALA A 25 -3.477 8.733 6.017 1.00 0.00 N ATOM 389 CA ALA A 25 -4.489 9.761 5.828 1.00 0.00 C ATOM 390 C ALA A 25 -5.441 9.833 7.015 1.00 0.00 C ATOM 391 O ALA A 25 -5.551 8.889 7.799 1.00 0.00 O ATOM 392 CB ALA A 25 -5.255 9.497 4.546 1.00 0.00 C ATOM 0 H ALA A 25 -3.797 7.912 6.530 1.00 0.00 H new ATOM 0 HA ALA A 25 -3.986 10.725 5.754 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -6.012 10.269 4.409 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -4.566 9.510 3.701 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -5.738 8.522 4.605 1.00 0.00 H new ATOM 398 N LYS A 26 -6.140 10.953 7.124 1.00 0.00 N ATOM 399 CA LYS A 26 -7.041 11.199 8.239 1.00 0.00 C ATOM 400 C LYS A 26 -8.277 11.945 7.758 1.00 0.00 C ATOM 401 O LYS A 26 -8.242 12.582 6.701 1.00 0.00 O ATOM 402 CB LYS A 26 -6.339 11.993 9.343 1.00 0.00 C ATOM 403 CG LYS A 26 -5.649 13.255 8.854 1.00 0.00 C ATOM 404 CD LYS A 26 -5.216 14.134 10.012 1.00 0.00 C ATOM 405 CE LYS A 26 -6.414 14.749 10.719 1.00 0.00 C ATOM 406 NZ LYS A 26 -6.013 15.531 11.914 1.00 0.00 N ATOM 0 H LYS A 26 -6.099 11.713 6.445 1.00 0.00 H new ATOM 0 HA LYS A 26 -7.345 10.238 8.653 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -7.071 12.263 10.104 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -5.601 11.351 9.825 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -4.779 12.987 8.254 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -6.324 13.812 8.205 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -4.636 13.544 10.722 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -4.562 14.925 9.646 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -6.951 15.396 10.026 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -7.104 13.959 11.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -6.859 15.933 12.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -5.523 14.909 12.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -5.375 16.301 11.627 1.00 0.00 H new ATOM 420 N ASP A 27 -9.356 11.846 8.546 1.00 0.00 N ATOM 421 CA ASP A 27 -10.680 12.391 8.199 1.00 0.00 C ATOM 422 C ASP A 27 -10.982 12.204 6.714 1.00 0.00 C ATOM 423 O ASP A 27 -11.544 13.080 6.052 1.00 0.00 O ATOM 424 CB ASP A 27 -10.849 13.862 8.640 1.00 0.00 C ATOM 425 CG ASP A 27 -9.957 14.860 7.928 1.00 0.00 C ATOM 426 OD1 ASP A 27 -8.823 15.087 8.396 1.00 0.00 O ATOM 427 OD2 ASP A 27 -10.416 15.482 6.944 1.00 0.00 O ATOM 0 H ASP A 27 -9.336 11.380 9.453 1.00 0.00 H new ATOM 0 HA ASP A 27 -11.417 11.818 8.762 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -11.888 14.153 8.485 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -10.656 13.927 9.711 1.00 0.00 H new ATOM 432 N ILE A 28 -10.633 11.020 6.218 1.00 0.00 N ATOM 433 CA ILE A 28 -10.794 10.678 4.817 1.00 0.00 C ATOM 434 C ILE A 28 -12.257 10.765 4.421 1.00 0.00 C ATOM 435 O ILE A 28 -13.069 9.924 4.809 1.00 0.00 O ATOM 436 CB ILE A 28 -10.275 9.250 4.537 1.00 0.00 C ATOM 437 CG1 ILE A 28 -8.790 9.134 4.900 1.00 0.00 C ATOM 438 CG2 ILE A 28 -10.494 8.875 3.076 1.00 0.00 C ATOM 439 CD1 ILE A 28 -8.286 7.705 4.925 1.00 0.00 C ATOM 0 H ILE A 28 -10.230 10.272 6.782 1.00 0.00 H new ATOM 0 HA ILE A 28 -10.213 11.388 4.228 1.00 0.00 H new ATOM 0 HB ILE A 28 -10.839 8.555 5.160 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -8.202 9.706 4.182 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -8.626 9.586 5.878 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -10.122 7.866 2.900 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -11.559 8.914 2.846 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -9.958 9.576 2.436 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -7.228 7.697 5.189 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -8.849 7.134 5.663 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -8.418 7.255 3.941 1.00 0.00 H new ATOM 451 N SER A 29 -12.599 11.789 3.666 1.00 0.00 N ATOM 452 CA SER A 29 -13.963 11.972 3.239 1.00 0.00 C ATOM 453 C SER A 29 -14.086 11.669 1.756 1.00 0.00 C ATOM 454 O SER A 29 -13.566 12.399 0.914 1.00 0.00 O ATOM 455 CB SER A 29 -14.404 13.406 3.531 1.00 0.00 C ATOM 456 OG SER A 29 -14.077 13.769 4.865 1.00 0.00 O ATOM 0 H SER A 29 -11.949 12.504 3.338 1.00 0.00 H new ATOM 0 HA SER A 29 -14.610 11.287 3.787 1.00 0.00 H new ATOM 0 HB2 SER A 29 -13.920 14.090 2.834 1.00 0.00 H new ATOM 0 HB3 SER A 29 -15.479 13.500 3.376 1.00 0.00 H new ATOM 0 HG SER A 29 -13.128 13.588 5.030 1.00 0.00 H new ATOM 462 N VAL A 30 -14.773 10.587 1.447 1.00 0.00 N ATOM 463 CA VAL A 30 -15.035 10.219 0.069 1.00 0.00 C ATOM 464 C VAL A 30 -16.532 10.193 -0.149 1.00 0.00 C ATOM 465 O VAL A 30 -17.241 9.387 0.454 1.00 0.00 O ATOM 466 CB VAL A 30 -14.449 8.833 -0.283 1.00 0.00 C ATOM 467 CG1 VAL A 30 -14.666 8.514 -1.758 1.00 0.00 C ATOM 468 CG2 VAL A 30 -12.968 8.767 0.062 1.00 0.00 C ATOM 0 H VAL A 30 -15.162 9.944 2.136 1.00 0.00 H new ATOM 0 HA VAL A 30 -14.556 10.955 -0.576 1.00 0.00 H new ATOM 0 HB VAL A 30 -14.973 8.085 0.312 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -14.246 7.534 -1.984 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -15.734 8.510 -1.976 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -14.174 9.270 -2.370 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -12.578 7.782 -0.195 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -12.429 9.529 -0.501 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -12.835 8.943 1.129 1.00 0.00 H new ATOM 478 N LYS A 31 -17.018 11.082 -0.991 1.00 0.00 N ATOM 479 CA LYS A 31 -18.445 11.173 -1.226 1.00 0.00 C ATOM 480 C LYS A 31 -18.735 11.129 -2.710 1.00 0.00 C ATOM 481 O LYS A 31 -18.246 11.970 -3.467 1.00 0.00 O ATOM 482 CB LYS A 31 -19.013 12.447 -0.599 1.00 0.00 C ATOM 483 CG LYS A 31 -18.768 12.539 0.896 1.00 0.00 C ATOM 484 CD LYS A 31 -19.519 13.700 1.519 1.00 0.00 C ATOM 485 CE LYS A 31 -19.234 13.815 3.008 1.00 0.00 C ATOM 486 NZ LYS A 31 -19.470 12.535 3.728 1.00 0.00 N ATOM 0 H LYS A 31 -16.452 11.746 -1.520 1.00 0.00 H new ATOM 0 HA LYS A 31 -18.931 10.319 -0.755 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -18.568 13.314 -1.087 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -20.086 12.490 -0.788 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -19.076 11.609 1.373 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -17.700 12.654 1.083 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -19.235 14.627 1.021 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -20.590 13.568 1.362 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -18.200 14.127 3.155 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -19.865 14.593 3.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -19.479 12.710 4.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -20.385 12.136 3.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -18.711 11.862 3.498 1.00 0.00 H new ATOM 500 N CYS A 32 -19.485 10.112 -3.113 1.00 0.00 N ATOM 501 CA CYS A 32 -19.905 9.939 -4.495 1.00 0.00 C ATOM 502 C CYS A 32 -21.423 9.779 -4.585 1.00 0.00 C ATOM 503 O CYS A 32 -21.996 8.947 -3.881 1.00 0.00 O ATOM 504 CB CYS A 32 -19.215 8.715 -5.099 1.00 0.00 C ATOM 505 SG CYS A 32 -17.429 8.915 -5.305 1.00 0.00 S ATOM 0 H CYS A 32 -19.820 9.381 -2.486 1.00 0.00 H new ATOM 0 HA CYS A 32 -19.619 10.828 -5.056 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -19.404 7.851 -4.462 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -19.662 8.499 -6.069 1.00 0.00 H new ATOM 0 HG CYS A 32 -16.928 7.832 -5.820 1.00 0.00 H new ATOM 511 N GLU A 33 -22.083 10.563 -5.437 1.00 0.00 N ATOM 512 CA GLU A 33 -23.494 10.356 -5.678 1.00 0.00 C ATOM 513 C GLU A 33 -23.638 9.273 -6.728 1.00 0.00 C ATOM 514 O GLU A 33 -22.652 8.940 -7.387 1.00 0.00 O ATOM 515 CB GLU A 33 -24.164 11.654 -6.140 1.00 0.00 C ATOM 516 CG GLU A 33 -24.500 12.604 -5.004 1.00 0.00 C ATOM 517 CD GLU A 33 -25.469 11.994 -4.013 1.00 0.00 C ATOM 518 OE1 GLU A 33 -26.672 11.896 -4.335 1.00 0.00 O ATOM 519 OE2 GLU A 33 -25.030 11.596 -2.913 1.00 0.00 O ATOM 0 H GLU A 33 -21.664 11.332 -5.960 1.00 0.00 H new ATOM 0 HA GLU A 33 -23.988 10.049 -4.756 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -23.505 12.162 -6.844 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -25.079 11.409 -6.679 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -23.583 12.886 -4.486 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -24.929 13.519 -5.413 1.00 0.00 H new ATOM 526 N PRO A 34 -24.840 8.697 -6.899 1.00 0.00 N ATOM 527 CA PRO A 34 -25.111 7.699 -7.953 1.00 0.00 C ATOM 528 C PRO A 34 -24.946 8.268 -9.369 1.00 0.00 C ATOM 529 O PRO A 34 -25.535 7.765 -10.318 1.00 0.00 O ATOM 530 CB PRO A 34 -26.578 7.311 -7.708 1.00 0.00 C ATOM 531 CG PRO A 34 -27.152 8.435 -6.921 1.00 0.00 C ATOM 532 CD PRO A 34 -26.031 8.948 -6.069 1.00 0.00 C ATOM 0 HA PRO A 34 -24.413 6.863 -7.901 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -27.112 7.176 -8.649 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -26.651 6.370 -7.162 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -27.535 9.217 -7.577 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -27.987 8.097 -6.307 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -26.149 10.008 -5.843 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -25.976 8.423 -5.116 1.00 0.00 H new ATOM 540 N GLN A 35 -24.083 9.269 -9.497 1.00 0.00 N ATOM 541 CA GLN A 35 -23.929 10.046 -10.720 1.00 0.00 C ATOM 542 C GLN A 35 -22.711 10.984 -10.629 1.00 0.00 C ATOM 543 O GLN A 35 -22.200 11.446 -11.647 1.00 0.00 O ATOM 544 CB GLN A 35 -25.202 10.857 -10.999 1.00 0.00 C ATOM 545 CG GLN A 35 -25.604 11.783 -9.858 1.00 0.00 C ATOM 546 CD GLN A 35 -26.911 12.502 -10.121 1.00 0.00 C ATOM 547 OE1 GLN A 35 -27.266 12.783 -11.268 1.00 0.00 O ATOM 548 NE2 GLN A 35 -27.638 12.810 -9.059 1.00 0.00 N ATOM 0 H GLN A 35 -23.463 9.567 -8.744 1.00 0.00 H new ATOM 0 HA GLN A 35 -23.763 9.352 -11.544 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -25.053 11.451 -11.901 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -26.023 10.169 -11.202 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -25.691 11.203 -8.939 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -24.816 12.518 -9.697 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -27.310 12.560 -8.126 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -28.527 13.297 -9.173 1.00 0.00 H new ATOM 557 N GLY A 36 -22.240 11.272 -9.412 1.00 0.00 N ATOM 558 CA GLY A 36 -21.066 12.114 -9.266 1.00 0.00 C ATOM 559 C GLY A 36 -21.003 12.818 -7.927 1.00 0.00 C ATOM 560 O GLY A 36 -22.006 13.313 -7.434 1.00 0.00 O ATOM 0 H GLY A 36 -22.647 10.940 -8.538 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -20.171 11.504 -9.392 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -21.059 12.859 -10.062 1.00 0.00 H new ATOM 564 N LEU A 37 -19.854 12.742 -7.278 1.00 0.00 N ATOM 565 CA LEU A 37 -19.558 13.565 -6.109 1.00 0.00 C ATOM 566 C LEU A 37 -18.045 13.687 -5.898 1.00 0.00 C ATOM 567 O LEU A 37 -17.256 13.139 -6.671 1.00 0.00 O ATOM 568 CB LEU A 37 -20.287 13.135 -4.836 1.00 0.00 C ATOM 569 CG LEU A 37 -21.441 14.041 -4.395 1.00 0.00 C ATOM 570 CD1 LEU A 37 -21.937 13.626 -3.019 1.00 0.00 C ATOM 571 CD2 LEU A 37 -21.020 15.505 -4.384 1.00 0.00 C ATOM 0 H LEU A 37 -19.098 12.110 -7.543 1.00 0.00 H new ATOM 0 HA LEU A 37 -19.956 14.556 -6.329 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -20.676 12.128 -4.984 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -19.561 13.080 -4.024 1.00 0.00 H new ATOM 0 HG LEU A 37 -22.252 13.930 -5.115 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -22.757 14.277 -2.716 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -22.287 12.594 -3.054 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -21.123 13.709 -2.299 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -21.860 16.123 -4.067 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -20.189 15.639 -3.692 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -20.709 15.802 -5.386 1.00 0.00 H new ATOM 583 N PHE A 38 -17.655 14.407 -4.855 1.00 0.00 N ATOM 584 CA PHE A 38 -16.268 14.833 -4.674 1.00 0.00 C ATOM 585 C PHE A 38 -15.613 14.095 -3.508 1.00 0.00 C ATOM 586 O PHE A 38 -16.285 13.635 -2.586 1.00 0.00 O ATOM 587 CB PHE A 38 -16.199 16.345 -4.425 1.00 0.00 C ATOM 588 CG PHE A 38 -16.741 16.775 -3.085 1.00 0.00 C ATOM 589 CD1 PHE A 38 -18.103 16.918 -2.881 1.00 0.00 C ATOM 590 CD2 PHE A 38 -15.878 17.037 -2.031 1.00 0.00 C ATOM 591 CE1 PHE A 38 -18.596 17.309 -1.652 1.00 0.00 C ATOM 592 CE2 PHE A 38 -16.366 17.430 -0.801 1.00 0.00 C ATOM 593 CZ PHE A 38 -17.727 17.566 -0.610 1.00 0.00 C ATOM 0 H PHE A 38 -18.285 14.712 -4.113 1.00 0.00 H new ATOM 0 HA PHE A 38 -15.726 14.592 -5.589 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -15.161 16.668 -4.506 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -16.754 16.857 -5.211 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -18.788 16.721 -3.693 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -14.813 16.932 -2.174 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -19.661 17.414 -1.506 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -15.684 17.631 0.012 1.00 0.00 H new ATOM 0 HZ PHE A 38 -18.111 17.873 0.352 1.00 0.00 H new ATOM 603 N SER A 39 -14.296 13.995 -3.551 1.00 0.00 N ATOM 604 CA SER A 39 -13.545 13.368 -2.480 1.00 0.00 C ATOM 605 C SER A 39 -12.528 14.356 -1.909 1.00 0.00 C ATOM 606 O SER A 39 -11.815 15.033 -2.654 1.00 0.00 O ATOM 607 CB SER A 39 -12.849 12.104 -2.994 1.00 0.00 C ATOM 608 OG SER A 39 -12.134 11.448 -1.964 1.00 0.00 O ATOM 0 H SER A 39 -13.723 14.342 -4.320 1.00 0.00 H new ATOM 0 HA SER A 39 -14.230 13.080 -1.683 1.00 0.00 H new ATOM 0 HB2 SER A 39 -13.591 11.424 -3.413 1.00 0.00 H new ATOM 0 HB3 SER A 39 -12.166 12.367 -3.802 1.00 0.00 H new ATOM 0 HG SER A 39 -12.493 11.719 -1.093 1.00 0.00 H new ATOM 614 N PHE A 40 -12.475 14.442 -0.587 1.00 0.00 N ATOM 615 CA PHE A 40 -11.595 15.381 0.096 1.00 0.00 C ATOM 616 C PHE A 40 -11.010 14.724 1.341 1.00 0.00 C ATOM 617 O PHE A 40 -11.731 14.422 2.290 1.00 0.00 O ATOM 618 CB PHE A 40 -12.370 16.650 0.474 1.00 0.00 C ATOM 619 CG PHE A 40 -11.519 17.733 1.077 1.00 0.00 C ATOM 620 CD1 PHE A 40 -10.811 18.604 0.266 1.00 0.00 C ATOM 621 CD2 PHE A 40 -11.427 17.880 2.453 1.00 0.00 C ATOM 622 CE1 PHE A 40 -10.028 19.601 0.811 1.00 0.00 C ATOM 623 CE2 PHE A 40 -10.644 18.877 3.004 1.00 0.00 C ATOM 624 CZ PHE A 40 -9.943 19.738 2.183 1.00 0.00 C ATOM 0 H PHE A 40 -13.037 13.866 0.040 1.00 0.00 H new ATOM 0 HA PHE A 40 -10.780 15.660 -0.572 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -12.860 17.042 -0.417 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -13.157 16.385 1.181 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -10.872 18.502 -0.807 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -11.972 17.209 3.100 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -9.482 20.273 0.166 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -10.580 18.983 4.077 1.00 0.00 H new ATOM 0 HZ PHE A 40 -9.330 20.517 2.612 1.00 0.00 H new ATOM 634 N SER A 41 -9.711 14.487 1.329 1.00 0.00 N ATOM 635 CA SER A 41 -9.054 13.781 2.418 1.00 0.00 C ATOM 636 C SER A 41 -7.819 14.535 2.908 1.00 0.00 C ATOM 637 O SER A 41 -7.315 15.430 2.226 1.00 0.00 O ATOM 638 CB SER A 41 -8.669 12.378 1.951 1.00 0.00 C ATOM 639 OG SER A 41 -9.805 11.672 1.481 1.00 0.00 O ATOM 0 H SER A 41 -9.087 14.774 0.575 1.00 0.00 H new ATOM 0 HA SER A 41 -9.749 13.712 3.255 1.00 0.00 H new ATOM 0 HB2 SER A 41 -7.924 12.446 1.158 1.00 0.00 H new ATOM 0 HB3 SER A 41 -8.210 11.830 2.774 1.00 0.00 H new ATOM 0 HG SER A 41 -9.532 11.039 0.785 1.00 0.00 H new ATOM 645 N ALA A 42 -7.348 14.188 4.096 1.00 0.00 N ATOM 646 CA ALA A 42 -6.125 14.764 4.632 1.00 0.00 C ATOM 647 C ALA A 42 -5.001 13.742 4.616 1.00 0.00 C ATOM 648 O ALA A 42 -5.227 12.562 4.868 1.00 0.00 O ATOM 649 CB ALA A 42 -6.339 15.261 6.048 1.00 0.00 C ATOM 0 H ALA A 42 -7.797 13.507 4.709 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.849 15.608 4.000 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -5.411 15.688 6.428 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -7.117 16.024 6.052 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -6.643 14.429 6.684 1.00 0.00 H new ATOM 655 N LEU A 43 -3.798 14.205 4.326 1.00 0.00 N ATOM 656 CA LEU A 43 -2.620 13.359 4.350 1.00 0.00 C ATOM 657 C LEU A 43 -1.945 13.513 5.700 1.00 0.00 C ATOM 658 O LEU A 43 -1.367 14.564 5.994 1.00 0.00 O ATOM 659 CB LEU A 43 -1.640 13.749 3.243 1.00 0.00 C ATOM 660 CG LEU A 43 -2.254 13.955 1.855 1.00 0.00 C ATOM 661 CD1 LEU A 43 -1.190 14.394 0.861 1.00 0.00 C ATOM 662 CD2 LEU A 43 -2.928 12.683 1.377 1.00 0.00 C ATOM 0 H LEU A 43 -3.611 15.174 4.068 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.921 12.324 4.186 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.136 14.669 3.537 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.875 12.976 3.171 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.007 14.740 1.927 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.644 14.536 -0.120 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.746 15.332 1.194 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.416 13.629 0.795 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -3.358 12.848 0.389 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -2.193 11.880 1.323 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.718 12.405 2.075 1.00 0.00 H new ATOM 674 N GLY A 44 -2.017 12.464 6.501 1.00 0.00 N ATOM 675 CA GLY A 44 -1.605 12.540 7.892 1.00 0.00 C ATOM 676 C GLY A 44 -0.124 12.806 8.071 1.00 0.00 C ATOM 677 O GLY A 44 0.262 13.761 8.744 1.00 0.00 O ATOM 0 H GLY A 44 -2.358 11.547 6.211 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -2.170 13.330 8.387 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -1.861 11.605 8.390 1.00 0.00 H new ATOM 681 N ALA A 45 0.703 11.980 7.449 1.00 0.00 N ATOM 682 CA ALA A 45 2.152 12.081 7.602 1.00 0.00 C ATOM 683 C ALA A 45 2.702 13.351 6.954 1.00 0.00 C ATOM 684 O ALA A 45 3.807 13.793 7.266 1.00 0.00 O ATOM 685 CB ALA A 45 2.824 10.847 7.017 1.00 0.00 C ATOM 0 H ALA A 45 0.397 11.229 6.831 1.00 0.00 H new ATOM 0 HA ALA A 45 2.374 12.138 8.668 1.00 0.00 H new ATOM 0 HB1 ALA A 45 3.904 10.931 7.135 1.00 0.00 H new ATOM 0 HB2 ALA A 45 2.470 9.958 7.539 1.00 0.00 H new ATOM 0 HB3 ALA A 45 2.580 10.768 5.958 1.00 0.00 H new ATOM 691 N GLN A 46 1.924 13.937 6.055 1.00 0.00 N ATOM 692 CA GLN A 46 2.335 15.148 5.356 1.00 0.00 C ATOM 693 C GLN A 46 1.786 16.394 6.051 1.00 0.00 C ATOM 694 O GLN A 46 2.434 17.440 6.080 1.00 0.00 O ATOM 695 CB GLN A 46 1.847 15.119 3.903 1.00 0.00 C ATOM 696 CG GLN A 46 2.690 14.277 2.950 1.00 0.00 C ATOM 697 CD GLN A 46 2.787 12.815 3.348 1.00 0.00 C ATOM 698 OE1 GLN A 46 1.921 12.011 3.013 1.00 0.00 O ATOM 699 NE2 GLN A 46 3.863 12.456 4.031 1.00 0.00 N ATOM 0 H GLN A 46 1.001 13.592 5.791 1.00 0.00 H new ATOM 0 HA GLN A 46 3.424 15.187 5.371 1.00 0.00 H new ATOM 0 HB2 GLN A 46 0.825 14.742 3.888 1.00 0.00 H new ATOM 0 HB3 GLN A 46 1.815 16.142 3.527 1.00 0.00 H new ATOM 0 HG2 GLN A 46 2.266 14.344 1.948 1.00 0.00 H new ATOM 0 HG3 GLN A 46 3.694 14.698 2.899 1.00 0.00 H new ATOM 0 HE21 GLN A 46 4.559 13.155 4.290 1.00 0.00 H new ATOM 0 HE22 GLN A 46 3.996 11.481 4.298 1.00 0.00 H new ATOM 708 N GLY A 47 0.591 16.272 6.619 1.00 0.00 N ATOM 709 CA GLY A 47 -0.099 17.427 7.165 1.00 0.00 C ATOM 710 C GLY A 47 -0.694 18.268 6.057 1.00 0.00 C ATOM 711 O GLY A 47 -0.971 19.455 6.233 1.00 0.00 O ATOM 0 H GLY A 47 0.086 15.391 6.711 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -0.887 17.099 7.843 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.596 18.028 7.751 1.00 0.00 H new ATOM 715 N GLU A 48 -0.885 17.633 4.911 1.00 0.00 N ATOM 716 CA GLU A 48 -1.339 18.314 3.707 1.00 0.00 C ATOM 717 C GLU A 48 -2.669 17.750 3.252 1.00 0.00 C ATOM 718 O GLU A 48 -3.066 16.678 3.681 1.00 0.00 O ATOM 719 CB GLU A 48 -0.293 18.189 2.604 1.00 0.00 C ATOM 720 CG GLU A 48 0.967 18.976 2.902 1.00 0.00 C ATOM 721 CD GLU A 48 2.096 18.664 1.951 1.00 0.00 C ATOM 722 OE1 GLU A 48 2.101 19.209 0.828 1.00 0.00 O ATOM 723 OE2 GLU A 48 2.988 17.873 2.320 1.00 0.00 O ATOM 0 H GLU A 48 -0.730 16.632 4.789 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.476 19.372 3.932 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -0.037 17.138 2.469 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -0.720 18.536 1.663 1.00 0.00 H new ATOM 0 HG2 GLU A 48 0.743 20.042 2.854 1.00 0.00 H new ATOM 0 HG3 GLU A 48 1.289 18.764 3.921 1.00 0.00 H new ATOM 730 N ARG A 49 -3.368 18.477 2.405 1.00 0.00 N ATOM 731 CA ARG A 49 -4.690 18.047 1.963 1.00 0.00 C ATOM 732 C ARG A 49 -4.660 17.437 0.564 1.00 0.00 C ATOM 733 O ARG A 49 -3.784 17.733 -0.246 1.00 0.00 O ATOM 734 CB ARG A 49 -5.675 19.217 2.008 1.00 0.00 C ATOM 735 CG ARG A 49 -6.126 19.577 3.414 1.00 0.00 C ATOM 736 CD ARG A 49 -6.963 18.461 4.014 1.00 0.00 C ATOM 737 NE ARG A 49 -7.294 18.699 5.416 1.00 0.00 N ATOM 738 CZ ARG A 49 -8.206 17.992 6.090 1.00 0.00 C ATOM 739 NH1 ARG A 49 -8.930 17.076 5.464 1.00 0.00 N ATOM 740 NH2 ARG A 49 -8.398 18.202 7.383 1.00 0.00 N ATOM 0 H ARG A 49 -3.051 19.362 2.008 1.00 0.00 H new ATOM 0 HA ARG A 49 -5.022 17.270 2.651 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -5.211 20.090 1.549 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -6.550 18.968 1.407 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -5.256 19.764 4.043 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -6.706 20.500 3.390 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -7.884 18.354 3.440 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -6.422 17.519 3.927 1.00 0.00 H new ATOM 0 HE ARG A 49 -6.802 19.445 5.908 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -8.791 16.910 4.467 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -9.626 16.537 5.979 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -7.848 18.908 7.872 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -9.096 17.658 7.890 1.00 0.00 H new ATOM 754 N PHE A 50 -5.631 16.569 0.316 1.00 0.00 N ATOM 755 CA PHE A 50 -5.820 15.929 -0.976 1.00 0.00 C ATOM 756 C PHE A 50 -7.284 16.073 -1.387 1.00 0.00 C ATOM 757 O PHE A 50 -8.181 15.928 -0.552 1.00 0.00 O ATOM 758 CB PHE A 50 -5.391 14.454 -0.871 1.00 0.00 C ATOM 759 CG PHE A 50 -6.191 13.487 -1.700 1.00 0.00 C ATOM 760 CD1 PHE A 50 -6.063 13.450 -3.078 1.00 0.00 C ATOM 761 CD2 PHE A 50 -7.065 12.603 -1.088 1.00 0.00 C ATOM 762 CE1 PHE A 50 -6.791 12.549 -3.829 1.00 0.00 C ATOM 763 CE2 PHE A 50 -7.796 11.701 -1.834 1.00 0.00 C ATOM 764 CZ PHE A 50 -7.659 11.675 -3.207 1.00 0.00 C ATOM 0 H PHE A 50 -6.317 16.287 1.016 1.00 0.00 H new ATOM 0 HA PHE A 50 -5.207 16.402 -1.743 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -4.344 14.377 -1.163 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -5.454 14.149 0.174 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -5.387 14.133 -3.570 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -7.176 12.620 -0.014 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -6.681 12.528 -4.903 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -8.474 11.017 -1.345 1.00 0.00 H new ATOM 0 HZ PHE A 50 -8.231 10.971 -3.794 1.00 0.00 H new ATOM 774 N GLU A 51 -7.533 16.361 -2.660 1.00 0.00 N ATOM 775 CA GLU A 51 -8.887 16.691 -3.102 1.00 0.00 C ATOM 776 C GLU A 51 -9.067 16.488 -4.606 1.00 0.00 C ATOM 777 O GLU A 51 -8.162 16.770 -5.395 1.00 0.00 O ATOM 778 CB GLU A 51 -9.207 18.147 -2.745 1.00 0.00 C ATOM 779 CG GLU A 51 -8.148 19.126 -3.234 1.00 0.00 C ATOM 780 CD GLU A 51 -8.559 20.579 -3.111 1.00 0.00 C ATOM 781 OE1 GLU A 51 -8.478 21.141 -1.996 1.00 0.00 O ATOM 782 OE2 GLU A 51 -8.928 21.178 -4.142 1.00 0.00 O ATOM 0 H GLU A 51 -6.827 16.373 -3.396 1.00 0.00 H new ATOM 0 HA GLU A 51 -9.572 16.016 -2.589 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -10.171 18.418 -3.176 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -9.305 18.237 -1.663 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -7.230 18.968 -2.667 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -7.920 18.909 -4.278 1.00 0.00 H new ATOM 789 N PHE A 52 -10.248 16.001 -4.987 1.00 0.00 N ATOM 790 CA PHE A 52 -10.639 15.880 -6.389 1.00 0.00 C ATOM 791 C PHE A 52 -12.121 15.524 -6.474 1.00 0.00 C ATOM 792 O PHE A 52 -12.750 15.251 -5.453 1.00 0.00 O ATOM 793 CB PHE A 52 -9.790 14.827 -7.121 1.00 0.00 C ATOM 794 CG PHE A 52 -10.135 13.400 -6.782 1.00 0.00 C ATOM 795 CD1 PHE A 52 -9.846 12.873 -5.534 1.00 0.00 C ATOM 796 CD2 PHE A 52 -10.734 12.580 -7.725 1.00 0.00 C ATOM 797 CE1 PHE A 52 -10.155 11.559 -5.232 1.00 0.00 C ATOM 798 CE2 PHE A 52 -11.043 11.269 -7.426 1.00 0.00 C ATOM 799 CZ PHE A 52 -10.751 10.756 -6.180 1.00 0.00 C ATOM 0 H PHE A 52 -10.960 15.680 -4.331 1.00 0.00 H new ATOM 0 HA PHE A 52 -10.466 16.838 -6.880 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -9.904 14.970 -8.196 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -8.739 14.999 -6.887 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -9.374 13.495 -4.788 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -10.962 12.972 -8.705 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -9.929 11.162 -4.253 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -11.515 10.643 -8.169 1.00 0.00 H new ATOM 0 HZ PHE A 52 -10.989 9.728 -5.948 1.00 0.00 H new ATOM 809 N SER A 53 -12.675 15.522 -7.673 1.00 0.00 N ATOM 810 CA SER A 53 -14.084 15.213 -7.853 1.00 0.00 C ATOM 811 C SER A 53 -14.258 14.182 -8.965 1.00 0.00 C ATOM 812 O SER A 53 -13.501 14.176 -9.936 1.00 0.00 O ATOM 813 CB SER A 53 -14.865 16.493 -8.177 1.00 0.00 C ATOM 814 OG SER A 53 -16.267 16.276 -8.128 1.00 0.00 O ATOM 0 H SER A 53 -12.173 15.730 -8.536 1.00 0.00 H new ATOM 0 HA SER A 53 -14.477 14.792 -6.928 1.00 0.00 H new ATOM 0 HB2 SER A 53 -14.592 17.275 -7.469 1.00 0.00 H new ATOM 0 HB3 SER A 53 -14.586 16.849 -9.169 1.00 0.00 H new ATOM 0 HG SER A 53 -16.735 17.111 -8.337 1.00 0.00 H new ATOM 820 N LEU A 54 -15.238 13.301 -8.811 1.00 0.00 N ATOM 821 CA LEU A 54 -15.510 12.284 -9.816 1.00 0.00 C ATOM 822 C LEU A 54 -16.915 12.421 -10.373 1.00 0.00 C ATOM 823 O LEU A 54 -17.900 12.453 -9.627 1.00 0.00 O ATOM 824 CB LEU A 54 -15.321 10.877 -9.244 1.00 0.00 C ATOM 825 CG LEU A 54 -13.873 10.460 -9.004 1.00 0.00 C ATOM 826 CD1 LEU A 54 -13.814 9.070 -8.388 1.00 0.00 C ATOM 827 CD2 LEU A 54 -13.087 10.497 -10.306 1.00 0.00 C ATOM 0 H LEU A 54 -15.857 13.271 -8.001 1.00 0.00 H new ATOM 0 HA LEU A 54 -14.796 12.435 -10.625 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -15.862 10.811 -8.300 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -15.780 10.161 -9.926 1.00 0.00 H new ATOM 0 HG LEU A 54 -13.422 11.166 -8.307 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -12.774 8.789 -8.224 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -14.344 9.071 -7.436 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -14.282 8.353 -9.063 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -12.056 10.197 -10.117 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -13.539 9.812 -11.023 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -13.102 11.509 -10.711 1.00 0.00 H new ATOM 839 N GLU A 55 -16.991 12.528 -11.686 1.00 0.00 N ATOM 840 CA GLU A 55 -18.258 12.512 -12.392 1.00 0.00 C ATOM 841 C GLU A 55 -18.525 11.102 -12.897 1.00 0.00 C ATOM 842 O GLU A 55 -17.665 10.500 -13.547 1.00 0.00 O ATOM 843 CB GLU A 55 -18.221 13.476 -13.577 1.00 0.00 C ATOM 844 CG GLU A 55 -17.979 14.924 -13.204 1.00 0.00 C ATOM 845 CD GLU A 55 -17.775 15.793 -14.429 1.00 0.00 C ATOM 846 OE1 GLU A 55 -18.780 16.181 -15.068 1.00 0.00 O ATOM 847 OE2 GLU A 55 -16.607 16.069 -14.777 1.00 0.00 O ATOM 0 H GLU A 55 -16.177 12.628 -12.293 1.00 0.00 H new ATOM 0 HA GLU A 55 -19.050 12.824 -11.711 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -17.438 13.156 -14.265 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -19.166 13.406 -14.115 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -18.827 15.298 -12.630 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -17.102 14.992 -12.560 1.00 0.00 H new ATOM 854 N LEU A 56 -19.698 10.573 -12.611 1.00 0.00 N ATOM 855 CA LEU A 56 -20.027 9.214 -13.009 1.00 0.00 C ATOM 856 C LEU A 56 -21.000 9.213 -14.183 1.00 0.00 C ATOM 857 O LEU A 56 -22.127 9.694 -14.071 1.00 0.00 O ATOM 858 CB LEU A 56 -20.614 8.413 -11.833 1.00 0.00 C ATOM 859 CG LEU A 56 -19.630 8.008 -10.722 1.00 0.00 C ATOM 860 CD1 LEU A 56 -18.407 7.316 -11.306 1.00 0.00 C ATOM 861 CD2 LEU A 56 -19.218 9.206 -9.879 1.00 0.00 C ATOM 0 H LEU A 56 -20.439 11.060 -12.106 1.00 0.00 H new ATOM 0 HA LEU A 56 -19.101 8.731 -13.322 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -21.413 9.002 -11.383 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -21.071 7.507 -12.231 1.00 0.00 H new ATOM 0 HG LEU A 56 -20.144 7.303 -10.069 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -17.726 7.039 -10.501 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -18.718 6.420 -11.843 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -17.900 7.993 -11.994 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -18.523 8.884 -9.104 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -18.735 9.949 -10.514 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -20.101 9.645 -9.415 1.00 0.00 H new ATOM 873 N TYR A 57 -20.544 8.691 -15.314 1.00 0.00 N ATOM 874 CA TYR A 57 -21.397 8.529 -16.484 1.00 0.00 C ATOM 875 C TYR A 57 -22.322 7.349 -16.249 1.00 0.00 C ATOM 876 O TYR A 57 -23.489 7.358 -16.650 1.00 0.00 O ATOM 877 CB TYR A 57 -20.550 8.302 -17.742 1.00 0.00 C ATOM 878 CG TYR A 57 -21.364 8.168 -19.013 1.00 0.00 C ATOM 879 CD1 TYR A 57 -21.740 9.290 -19.739 1.00 0.00 C ATOM 880 CD2 TYR A 57 -21.756 6.922 -19.485 1.00 0.00 C ATOM 881 CE1 TYR A 57 -22.485 9.174 -20.897 1.00 0.00 C ATOM 882 CE2 TYR A 57 -22.501 6.796 -20.642 1.00 0.00 C ATOM 883 CZ TYR A 57 -22.862 7.925 -21.345 1.00 0.00 C ATOM 884 OH TYR A 57 -23.611 7.805 -22.493 1.00 0.00 O ATOM 0 H TYR A 57 -19.584 8.371 -15.446 1.00 0.00 H new ATOM 0 HA TYR A 57 -21.984 9.434 -16.637 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -19.853 9.133 -17.854 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -19.952 7.400 -17.608 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -21.445 10.270 -19.393 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -21.473 6.035 -18.938 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -22.771 10.057 -21.449 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -22.798 5.819 -20.993 1.00 0.00 H new ATOM 0 HH TYR A 57 -23.790 6.858 -22.669 1.00 0.00 H new ATOM 894 N GLY A 58 -21.777 6.338 -15.595 1.00 0.00 N ATOM 895 CA GLY A 58 -22.561 5.202 -15.190 1.00 0.00 C ATOM 896 C GLY A 58 -23.018 5.357 -13.763 1.00 0.00 C ATOM 897 O GLY A 58 -22.201 5.579 -12.871 1.00 0.00 O ATOM 0 H GLY A 58 -20.792 6.288 -15.336 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -23.426 5.097 -15.845 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -21.971 4.291 -15.292 1.00 0.00 H new ATOM 901 N LYS A 59 -24.320 5.267 -13.552 1.00 0.00 N ATOM 902 CA LYS A 59 -24.888 5.454 -12.229 1.00 0.00 C ATOM 903 C LYS A 59 -24.341 4.421 -11.254 1.00 0.00 C ATOM 904 O LYS A 59 -24.150 3.259 -11.604 1.00 0.00 O ATOM 905 CB LYS A 59 -26.416 5.396 -12.285 1.00 0.00 C ATOM 906 CG LYS A 59 -27.028 6.564 -13.045 1.00 0.00 C ATOM 907 CD LYS A 59 -28.545 6.566 -12.958 1.00 0.00 C ATOM 908 CE LYS A 59 -29.159 5.399 -13.716 1.00 0.00 C ATOM 909 NZ LYS A 59 -30.639 5.375 -13.577 1.00 0.00 N ATOM 0 H LYS A 59 -25.004 5.065 -14.281 1.00 0.00 H new ATOM 0 HA LYS A 59 -24.598 6.442 -11.870 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -26.722 4.462 -12.757 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -26.811 5.384 -11.269 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -26.640 7.501 -12.644 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -26.725 6.515 -14.091 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -28.849 6.519 -11.912 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -28.930 7.503 -13.360 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -28.893 5.469 -14.771 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -28.743 4.463 -13.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -31.067 5.067 -14.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -30.906 4.713 -12.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -30.981 6.328 -13.340 1.00 0.00 H new ATOM 923 N ILE A 60 -24.070 4.854 -10.037 1.00 0.00 N ATOM 924 CA ILE A 60 -23.469 3.981 -9.036 1.00 0.00 C ATOM 925 C ILE A 60 -24.456 3.715 -7.905 1.00 0.00 C ATOM 926 O ILE A 60 -25.356 4.514 -7.659 1.00 0.00 O ATOM 927 CB ILE A 60 -22.187 4.608 -8.431 1.00 0.00 C ATOM 928 CG1 ILE A 60 -21.288 5.191 -9.525 1.00 0.00 C ATOM 929 CG2 ILE A 60 -21.410 3.579 -7.617 1.00 0.00 C ATOM 930 CD1 ILE A 60 -20.713 4.155 -10.467 1.00 0.00 C ATOM 0 H ILE A 60 -24.255 5.804 -9.714 1.00 0.00 H new ATOM 0 HA ILE A 60 -23.207 3.049 -9.537 1.00 0.00 H new ATOM 0 HB ILE A 60 -22.499 5.417 -7.770 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -21.861 5.915 -10.104 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -20.468 5.735 -9.056 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -20.515 4.043 -7.203 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -22.036 3.210 -6.805 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -21.123 2.747 -8.261 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -20.088 4.648 -11.212 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -20.111 3.444 -9.902 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -21.525 3.627 -10.966 1.00 0.00 H new ATOM 942 N MET A 61 -24.279 2.601 -7.217 1.00 0.00 N ATOM 943 CA MET A 61 -25.093 2.295 -6.058 1.00 0.00 C ATOM 944 C MET A 61 -24.387 2.818 -4.813 1.00 0.00 C ATOM 945 O MET A 61 -23.534 2.146 -4.234 1.00 0.00 O ATOM 946 CB MET A 61 -25.364 0.791 -5.942 1.00 0.00 C ATOM 947 CG MET A 61 -26.222 0.236 -7.064 1.00 0.00 C ATOM 948 SD MET A 61 -26.736 -1.465 -6.762 1.00 0.00 S ATOM 949 CE MET A 61 -27.591 -1.832 -8.293 1.00 0.00 C ATOM 0 H MET A 61 -23.579 1.894 -7.442 1.00 0.00 H new ATOM 0 HA MET A 61 -26.062 2.783 -6.164 1.00 0.00 H new ATOM 0 HB2 MET A 61 -24.412 0.260 -5.928 1.00 0.00 H new ATOM 0 HB3 MET A 61 -25.855 0.592 -4.989 1.00 0.00 H new ATOM 0 HG2 MET A 61 -27.105 0.863 -7.186 1.00 0.00 H new ATOM 0 HG3 MET A 61 -25.666 0.283 -8.000 1.00 0.00 H new ATOM 0 HE1 MET A 61 -28.218 -2.713 -8.157 1.00 0.00 H new ATOM 0 HE2 MET A 61 -28.214 -0.983 -8.574 1.00 0.00 H new ATOM 0 HE3 MET A 61 -26.862 -2.023 -9.080 1.00 0.00 H new ATOM 959 N THR A 62 -24.743 4.036 -4.429 1.00 0.00 N ATOM 960 CA THR A 62 -24.063 4.760 -3.358 1.00 0.00 C ATOM 961 C THR A 62 -24.223 4.074 -1.998 1.00 0.00 C ATOM 962 O THR A 62 -23.519 4.411 -1.044 1.00 0.00 O ATOM 963 CB THR A 62 -24.586 6.214 -3.256 1.00 0.00 C ATOM 964 OG1 THR A 62 -23.932 6.909 -2.187 1.00 0.00 O ATOM 965 CG2 THR A 62 -26.094 6.246 -3.034 1.00 0.00 C ATOM 0 H THR A 62 -25.514 4.554 -4.851 1.00 0.00 H new ATOM 0 HA THR A 62 -23.004 4.765 -3.615 1.00 0.00 H new ATOM 0 HB THR A 62 -24.363 6.709 -4.201 1.00 0.00 H new ATOM 0 HG1 THR A 62 -23.621 6.263 -1.519 1.00 0.00 H new ATOM 0 HG21 THR A 62 -26.430 7.281 -2.967 1.00 0.00 H new ATOM 0 HG22 THR A 62 -26.595 5.755 -3.868 1.00 0.00 H new ATOM 0 HG23 THR A 62 -26.337 5.725 -2.108 1.00 0.00 H new ATOM 973 N GLU A 63 -25.143 3.118 -1.907 1.00 0.00 N ATOM 974 CA GLU A 63 -25.427 2.458 -0.639 1.00 0.00 C ATOM 975 C GLU A 63 -24.609 1.169 -0.483 1.00 0.00 C ATOM 976 O GLU A 63 -24.624 0.547 0.581 1.00 0.00 O ATOM 977 CB GLU A 63 -26.925 2.158 -0.521 1.00 0.00 C ATOM 978 CG GLU A 63 -27.366 1.754 0.880 1.00 0.00 C ATOM 979 CD GLU A 63 -27.139 2.849 1.902 1.00 0.00 C ATOM 980 OE1 GLU A 63 -26.040 2.906 2.496 1.00 0.00 O ATOM 981 OE2 GLU A 63 -28.058 3.662 2.123 1.00 0.00 O ATOM 0 H GLU A 63 -25.702 2.785 -2.693 1.00 0.00 H new ATOM 0 HA GLU A 63 -25.137 3.135 0.164 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -27.487 3.040 -0.828 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -27.181 1.359 -1.216 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -28.424 1.493 0.862 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -26.822 0.860 1.184 1.00 0.00 H new ATOM 988 N TYR A 64 -23.885 0.771 -1.520 1.00 0.00 N ATOM 989 CA TYR A 64 -23.074 -0.441 -1.442 1.00 0.00 C ATOM 990 C TYR A 64 -21.601 -0.126 -1.656 1.00 0.00 C ATOM 991 O TYR A 64 -21.178 0.154 -2.779 1.00 0.00 O ATOM 992 CB TYR A 64 -23.533 -1.470 -2.478 1.00 0.00 C ATOM 993 CG TYR A 64 -24.908 -2.033 -2.219 1.00 0.00 C ATOM 994 CD1 TYR A 64 -25.096 -3.053 -1.296 1.00 0.00 C ATOM 995 CD2 TYR A 64 -26.020 -1.551 -2.900 1.00 0.00 C ATOM 996 CE1 TYR A 64 -26.349 -3.576 -1.055 1.00 0.00 C ATOM 997 CE2 TYR A 64 -27.281 -2.070 -2.666 1.00 0.00 C ATOM 998 CZ TYR A 64 -27.438 -3.083 -1.740 1.00 0.00 C ATOM 999 OH TYR A 64 -28.690 -3.603 -1.497 1.00 0.00 O ATOM 0 H TYR A 64 -23.841 1.260 -2.414 1.00 0.00 H new ATOM 0 HA TYR A 64 -23.203 -0.859 -0.444 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -23.522 -1.006 -3.464 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -22.815 -2.290 -2.503 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -24.246 -3.444 -0.757 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -25.898 -0.759 -3.623 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -26.476 -4.369 -0.332 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -28.136 -1.686 -3.203 1.00 0.00 H new ATOM 0 HH TYR A 64 -29.349 -3.146 -2.060 1.00 0.00 H new ATOM 1009 N ARG A 65 -20.819 -0.182 -0.582 1.00 0.00 N ATOM 1010 CA ARG A 65 -19.392 0.105 -0.666 1.00 0.00 C ATOM 1011 C ARG A 65 -18.635 -0.425 0.549 1.00 0.00 C ATOM 1012 O ARG A 65 -19.131 -0.391 1.674 1.00 0.00 O ATOM 1013 CB ARG A 65 -19.130 1.611 -0.843 1.00 0.00 C ATOM 1014 CG ARG A 65 -19.523 2.500 0.337 1.00 0.00 C ATOM 1015 CD ARG A 65 -21.029 2.576 0.528 1.00 0.00 C ATOM 1016 NE ARG A 65 -21.426 3.748 1.302 1.00 0.00 N ATOM 1017 CZ ARG A 65 -22.606 3.874 1.908 1.00 0.00 C ATOM 1018 NH1 ARG A 65 -23.442 2.846 1.950 1.00 0.00 N ATOM 1019 NH2 ARG A 65 -22.933 5.020 2.490 1.00 0.00 N ATOM 0 H ARG A 65 -21.148 -0.423 0.353 1.00 0.00 H new ATOM 0 HA ARG A 65 -19.018 -0.414 -1.549 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -18.068 1.754 -1.043 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -19.670 1.953 -1.726 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -19.063 2.116 1.247 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -19.128 3.504 0.180 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -21.517 2.604 -0.446 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -21.376 1.674 1.033 1.00 0.00 H new ATOM 0 HE ARG A 65 -20.760 4.517 1.384 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -23.182 1.959 1.519 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -24.345 2.942 2.414 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -22.281 5.804 2.474 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -23.836 5.117 2.954 1.00 0.00 H new ATOM 1033 N LYS A 66 -17.428 -0.912 0.305 1.00 0.00 N ATOM 1034 CA LYS A 66 -16.554 -1.411 1.358 1.00 0.00 C ATOM 1035 C LYS A 66 -15.115 -1.007 1.050 1.00 0.00 C ATOM 1036 O LYS A 66 -14.630 -1.237 -0.059 1.00 0.00 O ATOM 1037 CB LYS A 66 -16.676 -2.941 1.461 1.00 0.00 C ATOM 1038 CG LYS A 66 -15.752 -3.578 2.494 1.00 0.00 C ATOM 1039 CD LYS A 66 -16.061 -3.106 3.908 1.00 0.00 C ATOM 1040 CE LYS A 66 -17.422 -3.589 4.390 1.00 0.00 C ATOM 1041 NZ LYS A 66 -17.480 -5.071 4.511 1.00 0.00 N ATOM 0 H LYS A 66 -17.025 -0.973 -0.630 1.00 0.00 H new ATOM 0 HA LYS A 66 -16.848 -0.979 2.315 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -17.707 -3.195 1.707 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -16.465 -3.377 0.485 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -15.848 -4.663 2.445 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -14.717 -3.338 2.250 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -15.288 -3.466 4.587 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -16.031 -2.017 3.941 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -17.645 -3.138 5.357 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -18.192 -3.252 3.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -18.340 -5.344 5.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -17.497 -5.496 3.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -16.643 -5.410 5.027 1.00 0.00 H new ATOM 1055 N ASN A 67 -14.439 -0.388 2.012 1.00 0.00 N ATOM 1056 CA ASN A 67 -13.084 0.100 1.781 1.00 0.00 C ATOM 1057 C ASN A 67 -12.068 -0.622 2.661 1.00 0.00 C ATOM 1058 O ASN A 67 -12.260 -0.766 3.869 1.00 0.00 O ATOM 1059 CB ASN A 67 -12.998 1.619 2.006 1.00 0.00 C ATOM 1060 CG ASN A 67 -13.343 2.048 3.422 1.00 0.00 C ATOM 1061 OD1 ASN A 67 -14.505 2.296 3.742 1.00 0.00 O ATOM 1062 ND2 ASN A 67 -12.336 2.157 4.276 1.00 0.00 N ATOM 0 H ASN A 67 -14.802 -0.214 2.949 1.00 0.00 H new ATOM 0 HA ASN A 67 -12.839 -0.112 0.740 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -11.989 1.956 1.770 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -13.672 2.119 1.310 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -12.511 2.455 5.236 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -11.386 1.943 3.974 1.00 0.00 H new ATOM 1069 N VAL A 68 -11.009 -1.111 2.036 1.00 0.00 N ATOM 1070 CA VAL A 68 -9.898 -1.714 2.757 1.00 0.00 C ATOM 1071 C VAL A 68 -8.627 -0.895 2.534 1.00 0.00 C ATOM 1072 O VAL A 68 -8.382 -0.420 1.427 1.00 0.00 O ATOM 1073 CB VAL A 68 -9.656 -3.183 2.339 1.00 0.00 C ATOM 1074 CG1 VAL A 68 -10.829 -4.058 2.750 1.00 0.00 C ATOM 1075 CG2 VAL A 68 -9.411 -3.297 0.842 1.00 0.00 C ATOM 0 H VAL A 68 -10.895 -1.102 1.022 1.00 0.00 H new ATOM 0 HA VAL A 68 -10.159 -1.714 3.815 1.00 0.00 H new ATOM 0 HB VAL A 68 -8.762 -3.532 2.856 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -10.639 -5.088 2.447 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -10.953 -4.016 3.832 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -11.738 -3.699 2.266 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -9.244 -4.342 0.579 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -10.280 -2.921 0.301 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -8.533 -2.710 0.571 1.00 0.00 H new ATOM 1085 N GLY A 69 -7.836 -0.709 3.577 1.00 0.00 N ATOM 1086 CA GLY A 69 -6.610 0.045 3.430 1.00 0.00 C ATOM 1087 C GLY A 69 -5.425 -0.643 4.064 1.00 0.00 C ATOM 1088 O GLY A 69 -5.497 -1.108 5.201 1.00 0.00 O ATOM 0 H GLY A 69 -8.018 -1.063 4.516 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -6.410 0.202 2.370 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -6.737 1.030 3.880 1.00 0.00 H new ATOM 1092 N LEU A 70 -4.338 -0.717 3.320 1.00 0.00 N ATOM 1093 CA LEU A 70 -3.095 -1.277 3.828 1.00 0.00 C ATOM 1094 C LEU A 70 -1.985 -0.242 3.713 1.00 0.00 C ATOM 1095 O LEU A 70 -1.590 0.373 4.699 1.00 0.00 O ATOM 1096 CB LEU A 70 -2.725 -2.553 3.063 1.00 0.00 C ATOM 1097 CG LEU A 70 -3.724 -3.707 3.188 1.00 0.00 C ATOM 1098 CD1 LEU A 70 -3.303 -4.874 2.309 1.00 0.00 C ATOM 1099 CD2 LEU A 70 -3.845 -4.153 4.640 1.00 0.00 C ATOM 0 H LEU A 70 -4.289 -0.394 2.354 1.00 0.00 H new ATOM 0 HA LEU A 70 -3.227 -1.541 4.877 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.613 -2.304 2.008 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.752 -2.897 3.414 1.00 0.00 H new ATOM 0 HG LEU A 70 -4.699 -3.355 2.852 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -4.024 -5.685 2.411 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -3.265 -4.551 1.269 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -2.318 -5.224 2.617 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.559 -4.974 4.710 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -2.872 -4.487 5.000 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -4.191 -3.318 5.249 1.00 0.00 H new ATOM 1111 N ARG A 71 -1.491 -0.058 2.493 1.00 0.00 N ATOM 1112 CA ARG A 71 -0.525 0.998 2.194 1.00 0.00 C ATOM 1113 C ARG A 71 -1.201 1.998 1.276 1.00 0.00 C ATOM 1114 O ARG A 71 -0.597 2.960 0.800 1.00 0.00 O ATOM 1115 CB ARG A 71 0.739 0.448 1.505 1.00 0.00 C ATOM 1116 CG ARG A 71 1.504 -0.601 2.301 1.00 0.00 C ATOM 1117 CD ARG A 71 0.782 -1.939 2.301 1.00 0.00 C ATOM 1118 NE ARG A 71 1.499 -2.974 3.037 1.00 0.00 N ATOM 1119 CZ ARG A 71 1.168 -3.373 4.265 1.00 0.00 C ATOM 1120 NH1 ARG A 71 0.260 -2.704 4.963 1.00 0.00 N ATOM 1121 NH2 ARG A 71 1.771 -4.421 4.804 1.00 0.00 N ATOM 0 H ARG A 71 -1.745 -0.631 1.688 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.209 1.461 3.129 1.00 0.00 H new ATOM 0 HB2 ARG A 71 0.453 0.016 0.546 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.410 1.281 1.292 1.00 0.00 H new ATOM 0 HG2 ARG A 71 2.501 -0.725 1.878 1.00 0.00 H new ATOM 0 HG3 ARG A 71 1.634 -0.257 3.327 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -0.209 -1.811 2.737 1.00 0.00 H new ATOM 0 HD3 ARG A 71 0.637 -2.267 1.272 1.00 0.00 H new ATOM 0 HE ARG A 71 2.299 -3.418 2.586 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -0.188 -1.881 4.560 1.00 0.00 H new ATOM 0 HH12 ARG A 71 0.010 -3.013 5.902 1.00 0.00 H new ATOM 0 HH21 ARG A 71 2.488 -4.922 4.280 1.00 0.00 H new ATOM 0 HH22 ARG A 71 1.519 -4.727 5.744 1.00 0.00 H new ATOM 1135 N ASN A 72 -2.475 1.739 1.046 1.00 0.00 N ATOM 1136 CA ASN A 72 -3.270 2.457 0.075 1.00 0.00 C ATOM 1137 C ASN A 72 -4.736 2.215 0.383 1.00 0.00 C ATOM 1138 O ASN A 72 -5.050 1.405 1.258 1.00 0.00 O ATOM 1139 CB ASN A 72 -2.931 1.997 -1.355 1.00 0.00 C ATOM 1140 CG ASN A 72 -2.929 0.482 -1.522 1.00 0.00 C ATOM 1141 OD1 ASN A 72 -3.637 -0.245 -0.824 1.00 0.00 O ATOM 1142 ND2 ASN A 72 -2.113 -0.005 -2.443 1.00 0.00 N ATOM 0 H ASN A 72 -2.992 1.011 1.539 1.00 0.00 H new ATOM 0 HA ASN A 72 -3.051 3.523 0.135 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -3.652 2.430 -2.048 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -1.951 2.386 -1.631 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -2.056 -1.012 -2.593 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -1.541 0.627 -3.003 1.00 0.00 H new ATOM 1149 N ILE A 73 -5.623 2.900 -0.312 1.00 0.00 N ATOM 1150 CA ILE A 73 -7.047 2.758 -0.057 1.00 0.00 C ATOM 1151 C ILE A 73 -7.735 2.081 -1.234 1.00 0.00 C ATOM 1152 O ILE A 73 -7.836 2.650 -2.320 1.00 0.00 O ATOM 1153 CB ILE A 73 -7.720 4.122 0.218 1.00 0.00 C ATOM 1154 CG1 ILE A 73 -7.055 4.822 1.408 1.00 0.00 C ATOM 1155 CG2 ILE A 73 -9.213 3.949 0.473 1.00 0.00 C ATOM 1156 CD1 ILE A 73 -7.140 4.042 2.705 1.00 0.00 C ATOM 0 H ILE A 73 -5.387 3.558 -1.055 1.00 0.00 H new ATOM 0 HA ILE A 73 -7.154 2.139 0.834 1.00 0.00 H new ATOM 0 HB ILE A 73 -7.593 4.745 -0.667 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.006 5.002 1.172 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -7.521 5.797 1.550 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -9.665 4.922 0.664 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -9.681 3.497 -0.401 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -9.362 3.304 1.339 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.647 4.602 3.500 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -8.186 3.885 2.967 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -6.648 3.077 2.582 1.00 0.00 H new ATOM 1168 N ILE A 74 -8.180 0.853 -1.014 1.00 0.00 N ATOM 1169 CA ILE A 74 -8.941 0.128 -2.013 1.00 0.00 C ATOM 1170 C ILE A 74 -10.422 0.230 -1.680 1.00 0.00 C ATOM 1171 O ILE A 74 -10.869 -0.211 -0.618 1.00 0.00 O ATOM 1172 CB ILE A 74 -8.522 -1.358 -2.082 1.00 0.00 C ATOM 1173 CG1 ILE A 74 -7.021 -1.475 -2.367 1.00 0.00 C ATOM 1174 CG2 ILE A 74 -9.332 -2.095 -3.143 1.00 0.00 C ATOM 1175 CD1 ILE A 74 -6.509 -2.903 -2.368 1.00 0.00 C ATOM 0 H ILE A 74 -8.025 0.338 -0.147 1.00 0.00 H new ATOM 0 HA ILE A 74 -8.741 0.573 -2.987 1.00 0.00 H new ATOM 0 HB ILE A 74 -8.726 -1.821 -1.117 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -6.808 -1.021 -3.335 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -6.473 -0.902 -1.619 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -9.023 -3.140 -3.177 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -10.392 -2.038 -2.896 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -9.161 -1.635 -4.116 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -5.439 -2.906 -2.577 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -6.690 -3.355 -1.393 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -7.030 -3.476 -3.135 1.00 0.00 H new ATOM 1187 N PHE A 75 -11.174 0.809 -2.589 1.00 0.00 N ATOM 1188 CA PHE A 75 -12.578 1.083 -2.358 1.00 0.00 C ATOM 1189 C PHE A 75 -13.434 0.281 -3.328 1.00 0.00 C ATOM 1190 O PHE A 75 -13.374 0.490 -4.538 1.00 0.00 O ATOM 1191 CB PHE A 75 -12.827 2.587 -2.524 1.00 0.00 C ATOM 1192 CG PHE A 75 -14.086 3.092 -1.875 1.00 0.00 C ATOM 1193 CD1 PHE A 75 -14.706 2.375 -0.864 1.00 0.00 C ATOM 1194 CD2 PHE A 75 -14.637 4.302 -2.266 1.00 0.00 C ATOM 1195 CE1 PHE A 75 -15.852 2.854 -0.259 1.00 0.00 C ATOM 1196 CE2 PHE A 75 -15.785 4.784 -1.667 1.00 0.00 C ATOM 1197 CZ PHE A 75 -16.391 4.060 -0.662 1.00 0.00 C ATOM 0 H PHE A 75 -10.834 1.102 -3.505 1.00 0.00 H new ATOM 0 HA PHE A 75 -12.851 0.787 -1.345 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -11.978 3.130 -2.109 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -12.865 2.820 -3.588 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -14.289 1.431 -0.545 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -14.163 4.875 -3.049 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -16.326 2.286 0.528 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -16.207 5.726 -1.985 1.00 0.00 H new ATOM 0 HZ PHE A 75 -17.287 4.436 -0.190 1.00 0.00 H new ATOM 1207 N SER A 76 -14.206 -0.650 -2.793 1.00 0.00 N ATOM 1208 CA SER A 76 -15.083 -1.477 -3.604 1.00 0.00 C ATOM 1209 C SER A 76 -16.511 -0.956 -3.531 1.00 0.00 C ATOM 1210 O SER A 76 -17.157 -1.035 -2.486 1.00 0.00 O ATOM 1211 CB SER A 76 -15.021 -2.935 -3.130 1.00 0.00 C ATOM 1212 OG SER A 76 -15.847 -3.775 -3.919 1.00 0.00 O ATOM 0 H SER A 76 -14.243 -0.853 -1.794 1.00 0.00 H new ATOM 0 HA SER A 76 -14.750 -1.433 -4.641 1.00 0.00 H new ATOM 0 HB2 SER A 76 -13.991 -3.290 -3.175 1.00 0.00 H new ATOM 0 HB3 SER A 76 -15.332 -2.993 -2.087 1.00 0.00 H new ATOM 0 HG SER A 76 -15.337 -4.109 -4.686 1.00 0.00 H new ATOM 1218 N ILE A 77 -16.993 -0.409 -4.635 1.00 0.00 N ATOM 1219 CA ILE A 77 -18.349 0.119 -4.698 1.00 0.00 C ATOM 1220 C ILE A 77 -19.140 -0.652 -5.746 1.00 0.00 C ATOM 1221 O ILE A 77 -18.597 -1.023 -6.782 1.00 0.00 O ATOM 1222 CB ILE A 77 -18.382 1.628 -5.063 1.00 0.00 C ATOM 1223 CG1 ILE A 77 -17.300 2.415 -4.320 1.00 0.00 C ATOM 1224 CG2 ILE A 77 -19.744 2.221 -4.752 1.00 0.00 C ATOM 1225 CD1 ILE A 77 -15.973 2.461 -5.047 1.00 0.00 C ATOM 0 H ILE A 77 -16.465 -0.318 -5.503 1.00 0.00 H new ATOM 0 HA ILE A 77 -18.788 0.003 -3.707 1.00 0.00 H new ATOM 0 HB ILE A 77 -18.187 1.705 -6.133 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -17.651 3.434 -4.158 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -17.150 1.970 -3.336 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -19.749 3.279 -5.014 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -20.508 1.701 -5.330 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -19.955 2.110 -3.688 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -15.256 3.035 -4.460 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -15.599 1.447 -5.185 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -16.107 2.934 -6.020 1.00 0.00 H new ATOM 1237 N GLN A 78 -20.408 -0.907 -5.483 1.00 0.00 N ATOM 1238 CA GLN A 78 -21.249 -1.587 -6.459 1.00 0.00 C ATOM 1239 C GLN A 78 -21.907 -0.548 -7.359 1.00 0.00 C ATOM 1240 O GLN A 78 -22.361 0.492 -6.884 1.00 0.00 O ATOM 1241 CB GLN A 78 -22.302 -2.454 -5.760 1.00 0.00 C ATOM 1242 CG GLN A 78 -22.972 -3.458 -6.684 1.00 0.00 C ATOM 1243 CD GLN A 78 -23.929 -4.383 -5.958 1.00 0.00 C ATOM 1244 OE1 GLN A 78 -24.567 -4.008 -4.977 1.00 0.00 O ATOM 1245 NE2 GLN A 78 -24.007 -5.619 -6.420 1.00 0.00 N ATOM 0 H GLN A 78 -20.878 -0.658 -4.612 1.00 0.00 H new ATOM 0 HA GLN A 78 -20.634 -2.249 -7.068 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -21.831 -2.989 -4.935 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -23.064 -1.807 -5.326 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -23.514 -2.922 -7.463 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -22.206 -4.054 -7.181 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -23.462 -5.893 -7.237 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -24.612 -6.298 -5.959 1.00 0.00 H new ATOM 1254 N LYS A 79 -21.940 -0.804 -8.657 1.00 0.00 N ATOM 1255 CA LYS A 79 -22.501 0.161 -9.588 1.00 0.00 C ATOM 1256 C LYS A 79 -23.918 -0.191 -9.965 1.00 0.00 C ATOM 1257 O LYS A 79 -24.355 -1.332 -9.822 1.00 0.00 O ATOM 1258 CB LYS A 79 -21.673 0.278 -10.870 1.00 0.00 C ATOM 1259 CG LYS A 79 -21.309 -1.054 -11.508 1.00 0.00 C ATOM 1260 CD LYS A 79 -20.362 -0.869 -12.686 1.00 0.00 C ATOM 1261 CE LYS A 79 -20.995 -0.058 -13.811 1.00 0.00 C ATOM 1262 NZ LYS A 79 -22.150 -0.758 -14.436 1.00 0.00 N ATOM 0 H LYS A 79 -21.590 -1.661 -9.086 1.00 0.00 H new ATOM 0 HA LYS A 79 -22.486 1.118 -9.067 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -22.229 0.874 -11.594 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -20.756 0.823 -10.647 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -20.843 -1.700 -10.764 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -22.216 -1.557 -11.844 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -19.455 -0.369 -12.346 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -20.064 -1.846 -13.067 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -21.326 0.904 -13.420 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -20.244 0.149 -14.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -22.146 -0.587 -15.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -22.076 -1.780 -14.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -23.036 -0.398 -14.028 1.00 0.00 H new ATOM 1276 N GLU A 80 -24.624 0.798 -10.461 1.00 0.00 N ATOM 1277 CA GLU A 80 -25.930 0.580 -11.015 1.00 0.00 C ATOM 1278 C GLU A 80 -25.764 0.402 -12.524 1.00 0.00 C ATOM 1279 O GLU A 80 -24.662 0.579 -13.055 1.00 0.00 O ATOM 1280 CB GLU A 80 -26.855 1.761 -10.685 1.00 0.00 C ATOM 1281 CG GLU A 80 -28.336 1.460 -10.862 1.00 0.00 C ATOM 1282 CD GLU A 80 -29.222 2.633 -10.505 1.00 0.00 C ATOM 1283 OE1 GLU A 80 -29.519 2.822 -9.308 1.00 0.00 O ATOM 1284 OE2 GLU A 80 -29.647 3.359 -11.426 1.00 0.00 O ATOM 0 H GLU A 80 -24.308 1.767 -10.490 1.00 0.00 H new ATOM 0 HA GLU A 80 -26.391 -0.310 -10.587 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -26.679 2.069 -9.654 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -26.589 2.606 -11.320 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -28.522 1.172 -11.897 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -28.605 0.606 -10.241 1.00 0.00 H new ATOM 1427 N LEU A 88 -17.931 4.394 -16.705 1.00 0.00 N ATOM 1428 CA LEU A 88 -18.351 4.905 -15.411 1.00 0.00 C ATOM 1429 C LEU A 88 -17.834 6.319 -15.195 1.00 0.00 C ATOM 1430 O LEU A 88 -18.446 7.107 -14.490 1.00 0.00 O ATOM 1431 CB LEU A 88 -17.911 3.964 -14.283 1.00 0.00 C ATOM 1432 CG LEU A 88 -16.426 3.593 -14.250 1.00 0.00 C ATOM 1433 CD1 LEU A 88 -15.622 4.617 -13.457 1.00 0.00 C ATOM 1434 CD2 LEU A 88 -16.257 2.202 -13.662 1.00 0.00 C ATOM 0 HA LEU A 88 -19.440 4.947 -15.396 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -18.169 4.427 -13.331 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -18.492 3.045 -14.358 1.00 0.00 H new ATOM 0 HG LEU A 88 -16.044 3.595 -15.271 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -14.571 4.328 -13.450 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -15.726 5.598 -13.920 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -15.994 4.658 -12.433 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -15.199 1.942 -13.641 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -16.656 2.185 -12.648 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -16.795 1.480 -14.276 1.00 0.00 H new ATOM 1446 N LEU A 89 -16.721 6.649 -15.828 1.00 0.00 N ATOM 1447 CA LEU A 89 -16.174 7.989 -15.726 1.00 0.00 C ATOM 1448 C LEU A 89 -16.847 8.902 -16.746 1.00 0.00 C ATOM 1449 O LEU A 89 -16.715 8.696 -17.949 1.00 0.00 O ATOM 1450 CB LEU A 89 -14.656 7.978 -15.929 1.00 0.00 C ATOM 1451 CG LEU A 89 -13.955 9.311 -15.643 1.00 0.00 C ATOM 1452 CD1 LEU A 89 -14.274 9.794 -14.236 1.00 0.00 C ATOM 1453 CD2 LEU A 89 -12.452 9.170 -15.824 1.00 0.00 C ATOM 0 H LEU A 89 -16.182 6.011 -16.414 1.00 0.00 H new ATOM 0 HA LEU A 89 -16.373 8.371 -14.725 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -14.224 7.212 -15.285 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -14.444 7.687 -16.958 1.00 0.00 H new ATOM 0 HG LEU A 89 -14.324 10.051 -16.353 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -13.767 10.741 -14.053 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -15.350 9.933 -14.134 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -13.934 9.054 -13.511 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -11.969 10.125 -15.617 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -12.072 8.415 -15.136 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -12.236 8.869 -16.849 1.00 0.00 H new ATOM 1465 N LYS A 90 -17.595 9.880 -16.253 1.00 0.00 N ATOM 1466 CA LYS A 90 -18.332 10.798 -17.112 1.00 0.00 C ATOM 1467 C LYS A 90 -17.395 11.545 -18.055 1.00 0.00 C ATOM 1468 O LYS A 90 -17.589 11.535 -19.268 1.00 0.00 O ATOM 1469 CB LYS A 90 -19.130 11.778 -16.249 1.00 0.00 C ATOM 1470 CG LYS A 90 -19.812 12.900 -17.013 1.00 0.00 C ATOM 1471 CD LYS A 90 -20.834 12.385 -18.009 1.00 0.00 C ATOM 1472 CE LYS A 90 -21.647 13.527 -18.600 1.00 0.00 C ATOM 1473 NZ LYS A 90 -20.783 14.591 -19.180 1.00 0.00 N ATOM 0 H LYS A 90 -17.708 10.059 -15.255 1.00 0.00 H new ATOM 0 HA LYS A 90 -19.022 10.222 -17.728 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -19.888 11.220 -15.699 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -18.459 12.217 -15.510 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -20.303 13.570 -16.307 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -19.059 13.487 -17.540 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -20.327 11.844 -18.808 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -21.501 11.676 -17.517 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -22.309 13.137 -19.373 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -22.281 13.958 -17.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -21.365 15.241 -19.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -20.320 15.119 -18.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -20.059 14.157 -19.788 1.00 0.00 H new ATOM 1487 N SER A 91 -16.370 12.166 -17.501 1.00 0.00 N ATOM 1488 CA SER A 91 -15.415 12.915 -18.302 1.00 0.00 C ATOM 1489 C SER A 91 -14.268 12.010 -18.750 1.00 0.00 C ATOM 1490 O SER A 91 -13.102 12.275 -18.462 1.00 0.00 O ATOM 1491 CB SER A 91 -14.895 14.110 -17.505 1.00 0.00 C ATOM 1492 OG SER A 91 -15.970 14.952 -17.116 1.00 0.00 O ATOM 0 H SER A 91 -16.176 12.168 -16.500 1.00 0.00 H new ATOM 0 HA SER A 91 -15.913 13.288 -19.197 1.00 0.00 H new ATOM 0 HB2 SER A 91 -14.360 13.761 -16.622 1.00 0.00 H new ATOM 0 HB3 SER A 91 -14.182 14.674 -18.107 1.00 0.00 H new ATOM 0 HG SER A 91 -15.886 15.172 -16.165 1.00 0.00 H new ATOM 1498 N GLU A 92 -14.611 10.939 -19.462 1.00 0.00 N ATOM 1499 CA GLU A 92 -13.621 9.970 -19.924 1.00 0.00 C ATOM 1500 C GLU A 92 -12.906 10.453 -21.183 1.00 0.00 C ATOM 1501 O GLU A 92 -11.886 9.890 -21.583 1.00 0.00 O ATOM 1502 CB GLU A 92 -14.270 8.592 -20.148 1.00 0.00 C ATOM 1503 CG GLU A 92 -15.606 8.623 -20.891 1.00 0.00 C ATOM 1504 CD GLU A 92 -15.470 8.852 -22.385 1.00 0.00 C ATOM 1505 OE1 GLU A 92 -15.076 7.908 -23.105 1.00 0.00 O ATOM 1506 OE2 GLU A 92 -15.761 9.976 -22.844 1.00 0.00 O ATOM 0 H GLU A 92 -15.570 10.720 -19.732 1.00 0.00 H new ATOM 0 HA GLU A 92 -12.867 9.869 -19.143 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -13.575 7.966 -20.707 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -14.421 8.116 -19.179 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -16.127 7.680 -20.723 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -16.229 9.411 -20.467 1.00 0.00 H new ATOM 1513 N GLU A 93 -13.439 11.501 -21.805 1.00 0.00 N ATOM 1514 CA GLU A 93 -12.806 12.090 -22.974 1.00 0.00 C ATOM 1515 C GLU A 93 -11.557 12.865 -22.567 1.00 0.00 C ATOM 1516 O GLU A 93 -10.638 13.049 -23.363 1.00 0.00 O ATOM 1517 CB GLU A 93 -13.771 13.012 -23.719 1.00 0.00 C ATOM 1518 CG GLU A 93 -14.252 14.191 -22.891 1.00 0.00 C ATOM 1519 CD GLU A 93 -14.412 15.442 -23.723 1.00 0.00 C ATOM 1520 OE1 GLU A 93 -13.388 16.080 -24.037 1.00 0.00 O ATOM 1521 OE2 GLU A 93 -15.550 15.799 -24.072 1.00 0.00 O ATOM 0 H GLU A 93 -14.305 11.956 -21.518 1.00 0.00 H new ATOM 0 HA GLU A 93 -12.521 11.279 -23.644 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -13.281 13.387 -24.618 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -14.634 12.432 -24.045 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -15.205 13.941 -22.425 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -13.543 14.380 -22.085 1.00 0.00 H new ATOM 1528 N LYS A 94 -11.535 13.323 -21.320 1.00 0.00 N ATOM 1529 CA LYS A 94 -10.392 14.053 -20.793 1.00 0.00 C ATOM 1530 C LYS A 94 -10.007 13.504 -19.425 1.00 0.00 C ATOM 1531 O LYS A 94 -10.363 14.075 -18.394 1.00 0.00 O ATOM 1532 CB LYS A 94 -10.698 15.553 -20.683 1.00 0.00 C ATOM 1533 CG LYS A 94 -10.955 16.237 -22.017 1.00 0.00 C ATOM 1534 CD LYS A 94 -9.718 16.230 -22.900 1.00 0.00 C ATOM 1535 CE LYS A 94 -9.993 16.897 -24.238 1.00 0.00 C ATOM 1536 NZ LYS A 94 -10.995 16.151 -25.048 1.00 0.00 N ATOM 0 H LYS A 94 -12.299 13.200 -20.655 1.00 0.00 H new ATOM 0 HA LYS A 94 -9.559 13.922 -21.484 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -11.571 15.688 -20.044 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -9.862 16.048 -20.189 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -11.773 15.734 -22.532 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -11.272 17.265 -21.844 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -8.904 16.748 -22.393 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -9.390 15.203 -23.063 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -10.350 17.913 -24.068 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -9.062 16.976 -24.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -10.930 16.450 -26.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -10.806 15.131 -24.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -11.950 16.351 -24.688 1.00 0.00 H new ATOM 1550 N PRO A 95 -9.302 12.363 -19.393 1.00 0.00 N ATOM 1551 CA PRO A 95 -8.863 11.760 -18.144 1.00 0.00 C ATOM 1552 C PRO A 95 -7.631 12.457 -17.581 1.00 0.00 C ATOM 1553 O PRO A 95 -6.651 12.690 -18.295 1.00 0.00 O ATOM 1554 CB PRO A 95 -8.539 10.320 -18.538 1.00 0.00 C ATOM 1555 CG PRO A 95 -8.152 10.391 -19.977 1.00 0.00 C ATOM 1556 CD PRO A 95 -8.879 11.577 -20.568 1.00 0.00 C ATOM 0 HA PRO A 95 -9.617 11.834 -17.361 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -7.728 9.918 -17.931 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -9.400 9.668 -18.393 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -7.073 10.508 -20.082 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -8.425 9.472 -20.496 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -8.229 12.157 -21.222 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -9.734 11.263 -21.166 1.00 0.00 H new ATOM 1564 N ALA A 96 -7.695 12.808 -16.306 1.00 0.00 N ATOM 1565 CA ALA A 96 -6.577 13.443 -15.632 1.00 0.00 C ATOM 1566 C ALA A 96 -5.394 12.483 -15.561 1.00 0.00 C ATOM 1567 O ALA A 96 -5.584 11.273 -15.450 1.00 0.00 O ATOM 1568 CB ALA A 96 -7.000 13.894 -14.246 1.00 0.00 C ATOM 0 H ALA A 96 -8.514 12.662 -15.716 1.00 0.00 H new ATOM 0 HA ALA A 96 -6.265 14.321 -16.197 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -6.157 14.370 -13.745 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -7.821 14.606 -14.330 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -7.326 13.031 -13.666 1.00 0.00 H new ATOM 1574 N PRO A 97 -4.159 13.008 -15.611 1.00 0.00 N ATOM 1575 CA PRO A 97 -2.942 12.184 -15.668 1.00 0.00 C ATOM 1576 C PRO A 97 -2.743 11.313 -14.430 1.00 0.00 C ATOM 1577 O PRO A 97 -1.878 10.437 -14.412 1.00 0.00 O ATOM 1578 CB PRO A 97 -1.811 13.214 -15.783 1.00 0.00 C ATOM 1579 CG PRO A 97 -2.391 14.483 -15.260 1.00 0.00 C ATOM 1580 CD PRO A 97 -3.845 14.446 -15.623 1.00 0.00 C ATOM 0 HA PRO A 97 -2.985 11.477 -16.496 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -0.940 12.910 -15.203 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -1.483 13.326 -16.816 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -2.259 14.558 -14.181 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -1.899 15.349 -15.702 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -4.453 14.997 -14.905 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -4.027 14.890 -16.602 1.00 0.00 H new ATOM 1588 N TYR A 98 -3.541 11.546 -13.395 1.00 0.00 N ATOM 1589 CA TYR A 98 -3.432 10.761 -12.177 1.00 0.00 C ATOM 1590 C TYR A 98 -4.473 9.646 -12.142 1.00 0.00 C ATOM 1591 O TYR A 98 -4.479 8.833 -11.221 1.00 0.00 O ATOM 1592 CB TYR A 98 -3.549 11.650 -10.933 1.00 0.00 C ATOM 1593 CG TYR A 98 -4.826 12.461 -10.831 1.00 0.00 C ATOM 1594 CD1 TYR A 98 -5.983 11.918 -10.286 1.00 0.00 C ATOM 1595 CD2 TYR A 98 -4.863 13.784 -11.253 1.00 0.00 C ATOM 1596 CE1 TYR A 98 -7.137 12.667 -10.167 1.00 0.00 C ATOM 1597 CE2 TYR A 98 -6.015 14.540 -11.142 1.00 0.00 C ATOM 1598 CZ TYR A 98 -7.148 13.976 -10.597 1.00 0.00 C ATOM 1599 OH TYR A 98 -8.300 14.724 -10.479 1.00 0.00 O ATOM 0 H TYR A 98 -4.264 12.266 -13.376 1.00 0.00 H new ATOM 0 HA TYR A 98 -2.444 10.300 -12.172 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -3.467 11.019 -10.048 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -2.701 12.335 -10.916 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -5.980 10.892 -9.949 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -3.975 14.230 -11.676 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -8.027 12.229 -9.739 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -6.027 15.566 -11.480 1.00 0.00 H new ATOM 0 HH TYR A 98 -8.141 15.626 -10.827 1.00 0.00 H new ATOM 1609 N ILE A 99 -5.341 9.604 -13.151 1.00 0.00 N ATOM 1610 CA ILE A 99 -6.360 8.568 -13.238 1.00 0.00 C ATOM 1611 C ILE A 99 -5.975 7.519 -14.263 1.00 0.00 C ATOM 1612 O ILE A 99 -5.837 7.800 -15.453 1.00 0.00 O ATOM 1613 CB ILE A 99 -7.751 9.153 -13.562 1.00 0.00 C ATOM 1614 CG1 ILE A 99 -8.346 9.722 -12.284 1.00 0.00 C ATOM 1615 CG2 ILE A 99 -8.682 8.098 -14.155 1.00 0.00 C ATOM 1616 CD1 ILE A 99 -9.222 10.934 -12.508 1.00 0.00 C ATOM 0 H ILE A 99 -5.357 10.276 -13.918 1.00 0.00 H new ATOM 0 HA ILE A 99 -6.422 8.095 -12.258 1.00 0.00 H new ATOM 0 HB ILE A 99 -7.638 9.938 -14.309 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -8.933 8.947 -11.790 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -7.537 9.990 -11.605 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -9.651 8.548 -14.370 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -8.250 7.709 -15.077 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -8.810 7.284 -13.442 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -9.611 11.284 -11.552 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -8.635 11.726 -12.973 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -10.053 10.667 -13.161 1.00 0.00 H new ATOM 1628 N LYS A 100 -5.792 6.312 -13.773 1.00 0.00 N ATOM 1629 CA LYS A 100 -5.384 5.189 -14.610 1.00 0.00 C ATOM 1630 C LYS A 100 -6.073 3.907 -14.160 1.00 0.00 C ATOM 1631 O LYS A 100 -6.885 3.922 -13.239 1.00 0.00 O ATOM 1632 CB LYS A 100 -3.858 5.035 -14.577 1.00 0.00 C ATOM 1633 CG LYS A 100 -3.129 6.097 -15.388 1.00 0.00 C ATOM 1634 CD LYS A 100 -1.676 6.239 -14.969 1.00 0.00 C ATOM 1635 CE LYS A 100 -1.555 6.779 -13.550 1.00 0.00 C ATOM 1636 NZ LYS A 100 -0.156 7.140 -13.204 1.00 0.00 N ATOM 0 H LYS A 100 -5.919 6.075 -12.789 1.00 0.00 H new ATOM 0 HA LYS A 100 -5.687 5.388 -15.638 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -3.517 5.080 -13.543 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -3.591 4.049 -14.958 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -3.177 5.841 -16.446 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -3.635 7.055 -15.269 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -1.181 5.270 -15.034 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -1.161 6.907 -15.659 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -2.192 7.657 -13.442 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -1.920 6.031 -12.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -0.056 7.191 -12.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 0.492 6.418 -13.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 0.077 8.064 -13.620 1.00 0.00 H new ATOM 1650 N VAL A 101 -5.747 2.801 -14.808 1.00 0.00 N ATOM 1651 CA VAL A 101 -6.421 1.537 -14.545 1.00 0.00 C ATOM 1652 C VAL A 101 -5.628 0.679 -13.561 1.00 0.00 C ATOM 1653 O VAL A 101 -4.423 0.473 -13.732 1.00 0.00 O ATOM 1654 CB VAL A 101 -6.644 0.747 -15.855 1.00 0.00 C ATOM 1655 CG1 VAL A 101 -7.374 -0.563 -15.585 1.00 0.00 C ATOM 1656 CG2 VAL A 101 -7.412 1.589 -16.869 1.00 0.00 C ATOM 0 H VAL A 101 -5.019 2.751 -15.521 1.00 0.00 H new ATOM 0 HA VAL A 101 -7.388 1.774 -14.102 1.00 0.00 H new ATOM 0 HB VAL A 101 -5.666 0.510 -16.275 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -7.518 -1.099 -16.523 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -6.783 -1.175 -14.904 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -8.344 -0.353 -15.134 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -7.558 1.014 -17.783 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -8.382 1.863 -16.454 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -6.846 2.492 -17.095 1.00 0.00 H new ATOM 1666 N ASP A 102 -6.305 0.208 -12.521 1.00 0.00 N ATOM 1667 CA ASP A 102 -5.705 -0.719 -11.568 1.00 0.00 C ATOM 1668 C ASP A 102 -5.827 -2.152 -12.057 1.00 0.00 C ATOM 1669 O ASP A 102 -6.910 -2.736 -12.048 1.00 0.00 O ATOM 1670 CB ASP A 102 -6.359 -0.612 -10.192 1.00 0.00 C ATOM 1671 CG ASP A 102 -5.768 -1.606 -9.215 1.00 0.00 C ATOM 1672 OD1 ASP A 102 -4.533 -1.775 -9.215 1.00 0.00 O ATOM 1673 OD2 ASP A 102 -6.535 -2.219 -8.447 1.00 0.00 O ATOM 0 H ASP A 102 -7.273 0.454 -12.315 1.00 0.00 H new ATOM 0 HA ASP A 102 -4.653 -0.447 -11.483 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -6.231 0.399 -9.805 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -7.431 -0.785 -10.284 1.00 0.00 H new ATOM 1678 N TRP A 103 -4.712 -2.709 -12.490 1.00 0.00 N ATOM 1679 CA TRP A 103 -4.669 -4.087 -12.954 1.00 0.00 C ATOM 1680 C TRP A 103 -4.645 -5.059 -11.772 1.00 0.00 C ATOM 1681 O TRP A 103 -4.827 -6.263 -11.940 1.00 0.00 O ATOM 1682 CB TRP A 103 -3.445 -4.302 -13.856 1.00 0.00 C ATOM 1683 CG TRP A 103 -2.126 -4.246 -13.134 1.00 0.00 C ATOM 1684 CD1 TRP A 103 -1.308 -5.304 -12.860 1.00 0.00 C ATOM 1685 CD2 TRP A 103 -1.474 -3.085 -12.596 1.00 0.00 C ATOM 1686 NE1 TRP A 103 -0.187 -4.874 -12.195 1.00 0.00 N ATOM 1687 CE2 TRP A 103 -0.267 -3.519 -12.015 1.00 0.00 C ATOM 1688 CE3 TRP A 103 -1.788 -1.724 -12.547 1.00 0.00 C ATOM 1689 CZ2 TRP A 103 0.620 -2.643 -11.397 1.00 0.00 C ATOM 1690 CZ3 TRP A 103 -0.908 -0.857 -11.931 1.00 0.00 C ATOM 1691 CH2 TRP A 103 0.285 -1.319 -11.364 1.00 0.00 C ATOM 0 H TRP A 103 -3.815 -2.225 -12.531 1.00 0.00 H new ATOM 0 HA TRP A 103 -5.570 -4.285 -13.534 1.00 0.00 H new ATOM 0 HB2 TRP A 103 -3.536 -5.271 -14.347 1.00 0.00 H new ATOM 0 HB3 TRP A 103 -3.449 -3.545 -14.640 1.00 0.00 H new ATOM 0 HD1 TRP A 103 -1.513 -6.330 -13.128 1.00 0.00 H new ATOM 0 HE1 TRP A 103 0.582 -5.468 -11.885 1.00 0.00 H new ATOM 0 HE3 TRP A 103 -2.705 -1.356 -12.984 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 1.541 -2.997 -10.959 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 -1.144 0.196 -11.886 1.00 0.00 H new ATOM 0 HH2 TRP A 103 0.954 -0.615 -10.891 1.00 0.00 H new ATOM 1702 N ASN A 104 -4.429 -4.520 -10.578 1.00 0.00 N ATOM 1703 CA ASN A 104 -4.307 -5.333 -9.370 1.00 0.00 C ATOM 1704 C ASN A 104 -5.655 -5.905 -8.940 1.00 0.00 C ATOM 1705 O ASN A 104 -5.782 -7.109 -8.708 1.00 0.00 O ATOM 1706 CB ASN A 104 -3.706 -4.494 -8.238 1.00 0.00 C ATOM 1707 CG ASN A 104 -3.727 -5.193 -6.889 1.00 0.00 C ATOM 1708 OD1 ASN A 104 -3.636 -6.418 -6.795 1.00 0.00 O ATOM 1709 ND2 ASN A 104 -3.855 -4.412 -5.828 1.00 0.00 N ATOM 0 H ASN A 104 -4.334 -3.517 -10.418 1.00 0.00 H new ATOM 0 HA ASN A 104 -3.647 -6.171 -9.593 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -2.676 -4.241 -8.491 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -4.255 -3.556 -8.161 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -3.881 -4.821 -4.894 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -3.928 -3.401 -5.945 1.00 0.00 H new ATOM 1716 N LYS A 105 -6.655 -5.043 -8.823 1.00 0.00 N ATOM 1717 CA LYS A 105 -7.971 -5.461 -8.361 1.00 0.00 C ATOM 1718 C LYS A 105 -8.921 -5.736 -9.519 1.00 0.00 C ATOM 1719 O LYS A 105 -10.136 -5.853 -9.326 1.00 0.00 O ATOM 1720 CB LYS A 105 -8.544 -4.419 -7.403 1.00 0.00 C ATOM 1721 CG LYS A 105 -7.888 -4.469 -6.032 1.00 0.00 C ATOM 1722 CD LYS A 105 -8.290 -5.728 -5.280 1.00 0.00 C ATOM 1723 CE LYS A 105 -7.145 -6.297 -4.456 1.00 0.00 C ATOM 1724 NZ LYS A 105 -6.156 -7.016 -5.306 1.00 0.00 N ATOM 0 H LYS A 105 -6.580 -4.050 -9.042 1.00 0.00 H new ATOM 0 HA LYS A 105 -7.857 -6.402 -7.824 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -8.411 -3.425 -7.830 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -9.617 -4.579 -7.296 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -6.804 -4.438 -6.142 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -8.175 -3.590 -5.455 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -9.131 -5.504 -4.624 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -8.632 -6.480 -5.991 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -6.645 -5.489 -3.921 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -7.542 -6.979 -3.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -6.118 -8.016 -5.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -6.442 -6.949 -6.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -5.217 -6.586 -5.185 1.00 0.00 H new ATOM 1738 N TRP A 106 -8.366 -5.851 -10.717 1.00 0.00 N ATOM 1739 CA TRP A 106 -9.141 -6.260 -11.877 1.00 0.00 C ATOM 1740 C TRP A 106 -9.613 -7.699 -11.701 1.00 0.00 C ATOM 1741 O TRP A 106 -9.000 -8.476 -10.966 1.00 0.00 O ATOM 1742 CB TRP A 106 -8.312 -6.138 -13.157 1.00 0.00 C ATOM 1743 CG TRP A 106 -8.906 -5.195 -14.160 1.00 0.00 C ATOM 1744 CD1 TRP A 106 -8.566 -3.890 -14.354 1.00 0.00 C ATOM 1745 CD2 TRP A 106 -9.947 -5.485 -15.101 1.00 0.00 C ATOM 1746 NE1 TRP A 106 -9.330 -3.349 -15.359 1.00 0.00 N ATOM 1747 CE2 TRP A 106 -10.184 -4.308 -15.835 1.00 0.00 C ATOM 1748 CE3 TRP A 106 -10.698 -6.626 -15.398 1.00 0.00 C ATOM 1749 CZ2 TRP A 106 -11.141 -4.239 -16.844 1.00 0.00 C ATOM 1750 CZ3 TRP A 106 -11.649 -6.554 -16.401 1.00 0.00 C ATOM 1751 CH2 TRP A 106 -11.862 -5.368 -17.113 1.00 0.00 C ATOM 0 H TRP A 106 -7.382 -5.667 -10.910 1.00 0.00 H new ATOM 0 HA TRP A 106 -10.005 -5.602 -11.964 1.00 0.00 H new ATOM 0 HB2 TRP A 106 -7.308 -5.800 -12.901 1.00 0.00 H new ATOM 0 HB3 TRP A 106 -8.210 -7.124 -13.611 1.00 0.00 H new ATOM 0 HD1 TRP A 106 -7.807 -3.359 -13.799 1.00 0.00 H new ATOM 0 HE1 TRP A 106 -9.271 -2.388 -15.696 1.00 0.00 H new ATOM 0 HE3 TRP A 106 -10.539 -7.546 -14.855 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 -11.308 -3.325 -17.395 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 -12.237 -7.428 -16.638 1.00 0.00 H new ATOM 0 HH2 TRP A 106 -12.611 -5.345 -17.891 1.00 0.00 H new