USER MOD reduce.3.24.130724 H: found=0, std=0, add=1032, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 1027 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 55 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 56 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Set 2.1: A 48 ASN : amide:sc= 1.74 K(o=0.21,f=-0.94) USER MOD Set 2.2: A 50 SER OG : rot -67:sc= -0.269 USER MOD Set 2.3: A 111 HIS : no HD1:sc= -1.26 K(o=0.21,f=-5.5!) USER MOD Single : A 1 GLY N :NH3+ 138:sc= 0.0143 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 47:sc= 0.507 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ -136:sc= -0.122 (180deg=-1.43!) USER MOD Single : A 25 GLN : amide:sc= -0.202 K(o=-0.2,f=-2!) USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -0.0209 K(o=-0.021,f=-1.5) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 32:sc= 0.0381 USER MOD Single : A 59 CYS SG : rot 130:sc= -2.42 USER MOD Single : A 60 GLN :FLIP amide:sc= -0.187 F(o=-1.3,f=-0.19) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot -110:sc= -0.31 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 GLN : amide:sc= -0.0328 X(o=-0.033,f=-0.033) USER MOD Single : A 72 GLN : amide:sc= -3.79! C(o=-3.8!,f=-4.7!) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -0.655 K(o=-0.66,f=-4.6!) USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.0277 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= 0.385 K(o=0.38,f=-0.14) USER MOD Single : A 95 ASN :FLIP amide:sc= -2.81! C(o=-3.9!,f=-2.8!) USER MOD Single : A 97 ASN : amide:sc= -0.411 X(o=-0.41,f=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ -110:sc=-0.00109 (180deg=-1.33) USER MOD Single : A 108 THR OG1 : rot 34:sc= 0.15 USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 114 GLN : amide:sc= -1.02 K(o=-1,f=-2.1!) USER MOD Single : A 115 SER OG : rot 28:sc= 0.278 USER MOD Single : A 117 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 123 ASN : amide:sc= -0.312 X(o=-0.31,f=-0.1) USER MOD Single : A 124 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 131 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -20.926 -22.173 13.255 1.00 0.00 N ATOM 2 CA GLY A 1 -20.131 -23.286 12.770 1.00 0.00 C ATOM 3 C GLY A 1 -18.675 -23.180 13.179 1.00 0.00 C ATOM 4 O GLY A 1 -18.106 -22.089 13.197 1.00 0.00 O ATOM 0 H1 GLY A 1 -21.578 -21.860 12.507 1.00 0.00 H new ATOM 0 H2 GLY A 1 -21.472 -22.473 14.088 1.00 0.00 H new ATOM 0 H3 GLY A 1 -20.298 -21.387 13.518 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -20.546 -24.219 13.152 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -20.198 -23.330 11.683 1.00 0.00 H new ATOM 8 N SER A 2 -18.071 -24.317 13.510 1.00 0.00 N ATOM 9 CA SER A 2 -16.673 -24.346 13.926 1.00 0.00 C ATOM 10 C SER A 2 -15.801 -23.554 12.957 1.00 0.00 C ATOM 11 O SER A 2 -16.087 -23.485 11.761 1.00 0.00 O ATOM 12 CB SER A 2 -16.176 -25.790 14.014 1.00 0.00 C ATOM 13 OG SER A 2 -16.910 -26.525 14.979 1.00 0.00 O ATOM 0 H SER A 2 -18.527 -25.229 13.498 1.00 0.00 H new ATOM 0 HA SER A 2 -16.603 -23.884 14.911 1.00 0.00 H new ATOM 0 HB2 SER A 2 -16.269 -26.270 13.040 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.118 -25.798 14.274 1.00 0.00 H new ATOM 0 HG SER A 2 -16.574 -27.445 15.015 1.00 0.00 H new ATOM 19 N SER A 3 -14.735 -22.958 13.482 1.00 0.00 N ATOM 20 CA SER A 3 -13.822 -22.167 12.665 1.00 0.00 C ATOM 21 C SER A 3 -12.372 -22.439 13.053 1.00 0.00 C ATOM 22 O SER A 3 -12.070 -22.723 14.211 1.00 0.00 O ATOM 23 CB SER A 3 -14.131 -20.676 12.815 1.00 0.00 C ATOM 24 OG SER A 3 -13.673 -19.945 11.691 1.00 0.00 O ATOM 0 H SER A 3 -14.482 -23.008 14.469 1.00 0.00 H new ATOM 0 HA SER A 3 -13.962 -22.457 11.624 1.00 0.00 H new ATOM 0 HB2 SER A 3 -15.205 -20.534 12.932 1.00 0.00 H new ATOM 0 HB3 SER A 3 -13.658 -20.293 13.719 1.00 0.00 H new ATOM 0 HG SER A 3 -13.884 -18.995 11.810 1.00 0.00 H new ATOM 30 N GLY A 4 -11.477 -22.349 12.074 1.00 0.00 N ATOM 31 CA GLY A 4 -10.069 -22.588 12.332 1.00 0.00 C ATOM 32 C GLY A 4 -9.633 -23.981 11.922 1.00 0.00 C ATOM 33 O GLY A 4 -10.137 -24.975 12.445 1.00 0.00 O ATOM 0 H GLY A 4 -11.702 -22.115 11.107 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -9.474 -21.851 11.793 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -9.868 -22.445 13.394 1.00 0.00 H new ATOM 37 N SER A 5 -8.694 -24.053 10.984 1.00 0.00 N ATOM 38 CA SER A 5 -8.194 -25.335 10.500 1.00 0.00 C ATOM 39 C SER A 5 -7.893 -26.274 11.664 1.00 0.00 C ATOM 40 O SER A 5 -6.926 -26.078 12.400 1.00 0.00 O ATOM 41 CB SER A 5 -6.935 -25.130 9.656 1.00 0.00 C ATOM 42 OG SER A 5 -5.939 -24.436 10.387 1.00 0.00 O ATOM 0 H SER A 5 -8.264 -23.239 10.544 1.00 0.00 H new ATOM 0 HA SER A 5 -8.967 -25.789 9.880 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.547 -26.097 9.335 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.185 -24.571 8.754 1.00 0.00 H new ATOM 0 HG SER A 5 -5.846 -24.838 11.276 1.00 0.00 H new ATOM 48 N SER A 6 -8.728 -27.296 11.824 1.00 0.00 N ATOM 49 CA SER A 6 -8.555 -28.264 12.900 1.00 0.00 C ATOM 50 C SER A 6 -7.084 -28.635 13.065 1.00 0.00 C ATOM 51 O SER A 6 -6.553 -29.461 12.324 1.00 0.00 O ATOM 52 CB SER A 6 -9.381 -29.522 12.621 1.00 0.00 C ATOM 53 OG SER A 6 -9.790 -30.140 13.829 1.00 0.00 O ATOM 0 H SER A 6 -9.531 -27.475 11.221 1.00 0.00 H new ATOM 0 HA SER A 6 -8.903 -27.807 13.826 1.00 0.00 H new ATOM 0 HB2 SER A 6 -10.257 -29.262 12.027 1.00 0.00 H new ATOM 0 HB3 SER A 6 -8.792 -30.224 12.030 1.00 0.00 H new ATOM 0 HG SER A 6 -10.317 -30.940 13.625 1.00 0.00 H new ATOM 59 N GLY A 7 -6.430 -28.017 14.044 1.00 0.00 N ATOM 60 CA GLY A 7 -5.027 -28.294 14.290 1.00 0.00 C ATOM 61 C GLY A 7 -4.368 -27.232 15.147 1.00 0.00 C ATOM 62 O GLY A 7 -5.034 -26.397 15.760 1.00 0.00 O ATOM 0 H GLY A 7 -6.847 -27.329 14.671 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.932 -29.263 14.780 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.502 -28.366 13.338 1.00 0.00 H new ATOM 66 N PRO A 8 -3.028 -27.256 15.200 1.00 0.00 N ATOM 67 CA PRO A 8 -2.250 -26.295 15.987 1.00 0.00 C ATOM 68 C PRO A 8 -2.299 -24.889 15.399 1.00 0.00 C ATOM 69 O PRO A 8 -2.740 -24.677 14.269 1.00 0.00 O ATOM 70 CB PRO A 8 -0.826 -26.853 15.920 1.00 0.00 C ATOM 71 CG PRO A 8 -0.790 -27.649 14.662 1.00 0.00 C ATOM 72 CD PRO A 8 -2.170 -28.222 14.495 1.00 0.00 C ATOM 0 HA PRO A 8 -2.635 -26.192 17.001 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -0.087 -26.052 15.903 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -0.603 -27.474 16.788 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -0.522 -27.022 13.811 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -0.043 -28.441 14.722 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -2.444 -28.310 13.444 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -2.246 -29.219 14.929 1.00 0.00 H new ATOM 80 N PRO A 9 -1.836 -23.903 16.182 1.00 0.00 N ATOM 81 CA PRO A 9 -1.816 -22.499 15.759 1.00 0.00 C ATOM 82 C PRO A 9 -0.792 -22.240 14.659 1.00 0.00 C ATOM 83 O PRO A 9 0.418 -22.286 14.881 1.00 0.00 O ATOM 84 CB PRO A 9 -1.431 -21.749 17.036 1.00 0.00 C ATOM 85 CG PRO A 9 -0.679 -22.746 17.848 1.00 0.00 C ATOM 86 CD PRO A 9 -1.296 -24.082 17.540 1.00 0.00 C ATOM 0 HA PRO A 9 -2.771 -22.187 15.337 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -0.817 -20.876 16.813 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -2.313 -21.391 17.566 1.00 0.00 H new ATOM 0 HG2 PRO A 9 0.381 -22.738 17.593 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -0.752 -22.518 18.911 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -0.558 -24.883 17.577 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -2.079 -24.337 18.254 1.00 0.00 H new ATOM 94 N PRO A 10 -1.286 -21.960 13.443 1.00 0.00 N ATOM 95 CA PRO A 10 -0.430 -21.687 12.285 1.00 0.00 C ATOM 96 C PRO A 10 0.298 -20.353 12.404 1.00 0.00 C ATOM 97 O PRO A 10 0.213 -19.678 13.430 1.00 0.00 O ATOM 98 CB PRO A 10 -1.416 -21.656 11.115 1.00 0.00 C ATOM 99 CG PRO A 10 -2.721 -21.285 11.730 1.00 0.00 C ATOM 100 CD PRO A 10 -2.717 -21.889 13.107 1.00 0.00 C ATOM 0 HA PRO A 10 0.358 -22.432 12.176 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -1.113 -20.930 10.361 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -1.473 -22.625 10.619 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -2.835 -20.202 11.779 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -3.553 -21.667 11.139 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -3.267 -21.272 13.818 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -3.181 -22.875 13.115 1.00 0.00 H new ATOM 108 N ALA A 11 1.013 -19.978 11.349 1.00 0.00 N ATOM 109 CA ALA A 11 1.754 -18.722 11.334 1.00 0.00 C ATOM 110 C ALA A 11 1.337 -17.852 10.154 1.00 0.00 C ATOM 111 O ALA A 11 1.803 -18.026 9.028 1.00 0.00 O ATOM 112 CB ALA A 11 3.251 -18.993 11.290 1.00 0.00 C ATOM 0 H ALA A 11 1.095 -20.526 10.493 1.00 0.00 H new ATOM 0 HA ALA A 11 1.521 -18.180 12.251 1.00 0.00 H new ATOM 0 HB1 ALA A 11 3.792 -18.047 11.279 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.543 -19.568 12.169 1.00 0.00 H new ATOM 0 HB3 ALA A 11 3.492 -19.559 10.390 1.00 0.00 H new ATOM 118 N PRO A 12 0.437 -16.892 10.415 1.00 0.00 N ATOM 119 CA PRO A 12 -0.063 -15.975 9.386 1.00 0.00 C ATOM 120 C PRO A 12 1.002 -14.987 8.922 1.00 0.00 C ATOM 121 O PRO A 12 2.177 -15.119 9.268 1.00 0.00 O ATOM 122 CB PRO A 12 -1.204 -15.238 10.091 1.00 0.00 C ATOM 123 CG PRO A 12 -0.864 -15.312 11.540 1.00 0.00 C ATOM 124 CD PRO A 12 -0.161 -16.627 11.734 1.00 0.00 C ATOM 0 HA PRO A 12 -0.372 -16.504 8.485 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -1.276 -14.204 9.753 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -2.166 -15.708 9.885 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -0.224 -14.480 11.833 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -1.762 -15.255 12.155 1.00 0.00 H new ATOM 0 HD2 PRO A 12 0.598 -16.566 12.514 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -0.856 -17.415 12.026 1.00 0.00 H new ATOM 132 N ILE A 13 0.585 -13.999 8.139 1.00 0.00 N ATOM 133 CA ILE A 13 1.504 -12.988 7.630 1.00 0.00 C ATOM 134 C ILE A 13 1.585 -11.794 8.574 1.00 0.00 C ATOM 135 O ILE A 13 0.605 -11.086 8.807 1.00 0.00 O ATOM 136 CB ILE A 13 1.082 -12.496 6.233 1.00 0.00 C ATOM 137 CG1 ILE A 13 0.844 -13.685 5.300 1.00 0.00 C ATOM 138 CG2 ILE A 13 2.139 -11.566 5.657 1.00 0.00 C ATOM 139 CD1 ILE A 13 -0.064 -13.365 4.133 1.00 0.00 C ATOM 0 H ILE A 13 -0.383 -13.876 7.843 1.00 0.00 H new ATOM 0 HA ILE A 13 2.484 -13.459 7.559 1.00 0.00 H new ATOM 0 HB ILE A 13 0.149 -11.940 6.326 1.00 0.00 H new ATOM 0 HG12 ILE A 13 1.803 -14.035 4.918 1.00 0.00 H new ATOM 0 HG13 ILE A 13 0.411 -14.505 5.873 1.00 0.00 H new ATOM 0 HG21 ILE A 13 1.826 -11.227 4.669 1.00 0.00 H new ATOM 0 HG22 ILE A 13 2.263 -10.705 6.314 1.00 0.00 H new ATOM 0 HG23 ILE A 13 3.086 -12.099 5.574 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -0.188 -14.254 3.514 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -1.037 -13.044 4.506 1.00 0.00 H new ATOM 0 HD13 ILE A 13 0.378 -12.566 3.537 1.00 0.00 H new ATOM 151 N PRO A 14 2.783 -11.561 9.131 1.00 0.00 N ATOM 152 CA PRO A 14 3.023 -10.450 10.058 1.00 0.00 C ATOM 153 C PRO A 14 2.973 -9.094 9.362 1.00 0.00 C ATOM 154 O PRO A 14 2.982 -9.015 8.134 1.00 0.00 O ATOM 155 CB PRO A 14 4.432 -10.728 10.588 1.00 0.00 C ATOM 156 CG PRO A 14 5.086 -11.533 9.519 1.00 0.00 C ATOM 157 CD PRO A 14 3.996 -12.363 8.899 1.00 0.00 C ATOM 0 HA PRO A 14 2.263 -10.398 10.837 1.00 0.00 H new ATOM 0 HB2 PRO A 14 4.975 -9.801 10.774 1.00 0.00 H new ATOM 0 HB3 PRO A 14 4.400 -11.274 11.531 1.00 0.00 H new ATOM 0 HG2 PRO A 14 5.555 -10.888 8.776 1.00 0.00 H new ATOM 0 HG3 PRO A 14 5.871 -12.166 9.932 1.00 0.00 H new ATOM 0 HD2 PRO A 14 4.172 -12.528 7.836 1.00 0.00 H new ATOM 0 HD3 PRO A 14 3.924 -13.345 9.366 1.00 0.00 H new ATOM 165 N ASP A 15 2.921 -8.029 10.155 1.00 0.00 N ATOM 166 CA ASP A 15 2.872 -6.676 9.615 1.00 0.00 C ATOM 167 C ASP A 15 4.229 -6.264 9.054 1.00 0.00 C ATOM 168 O ASP A 15 5.269 -6.756 9.494 1.00 0.00 O ATOM 169 CB ASP A 15 2.433 -5.688 10.698 1.00 0.00 C ATOM 170 CG ASP A 15 3.227 -5.843 11.979 1.00 0.00 C ATOM 171 OD1 ASP A 15 2.915 -6.763 12.763 1.00 0.00 O ATOM 172 OD2 ASP A 15 4.162 -5.043 12.199 1.00 0.00 O ATOM 0 H ASP A 15 2.912 -8.077 11.174 1.00 0.00 H new ATOM 0 HA ASP A 15 2.145 -6.662 8.803 1.00 0.00 H new ATOM 0 HB2 ASP A 15 2.546 -4.670 10.325 1.00 0.00 H new ATOM 0 HB3 ASP A 15 1.374 -5.833 10.911 1.00 0.00 H new ATOM 177 N LEU A 16 4.212 -5.361 8.080 1.00 0.00 N ATOM 178 CA LEU A 16 5.442 -4.884 7.457 1.00 0.00 C ATOM 179 C LEU A 16 5.441 -3.363 7.346 1.00 0.00 C ATOM 180 O LEU A 16 4.532 -2.772 6.762 1.00 0.00 O ATOM 181 CB LEU A 16 5.610 -5.508 6.071 1.00 0.00 C ATOM 182 CG LEU A 16 7.038 -5.561 5.527 1.00 0.00 C ATOM 183 CD1 LEU A 16 7.130 -6.534 4.361 1.00 0.00 C ATOM 184 CD2 LEU A 16 7.498 -4.174 5.103 1.00 0.00 C ATOM 0 H LEU A 16 3.360 -4.944 7.704 1.00 0.00 H new ATOM 0 HA LEU A 16 6.280 -5.183 8.087 1.00 0.00 H new ATOM 0 HB2 LEU A 16 5.217 -6.524 6.102 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.995 -4.949 5.366 1.00 0.00 H new ATOM 0 HG LEU A 16 7.696 -5.914 6.321 1.00 0.00 H new ATOM 0 HD11 LEU A 16 8.154 -6.558 3.987 1.00 0.00 H new ATOM 0 HD12 LEU A 16 6.842 -7.531 4.695 1.00 0.00 H new ATOM 0 HD13 LEU A 16 6.460 -6.211 3.564 1.00 0.00 H new ATOM 0 HD21 LEU A 16 8.516 -4.230 4.718 1.00 0.00 H new ATOM 0 HD22 LEU A 16 6.837 -3.793 4.325 1.00 0.00 H new ATOM 0 HD23 LEU A 16 7.471 -3.503 5.962 1.00 0.00 H new ATOM 196 N LYS A 17 6.468 -2.734 7.907 1.00 0.00 N ATOM 197 CA LYS A 17 6.589 -1.281 7.869 1.00 0.00 C ATOM 198 C LYS A 17 7.293 -0.827 6.594 1.00 0.00 C ATOM 199 O LYS A 17 8.306 -1.401 6.195 1.00 0.00 O ATOM 200 CB LYS A 17 7.357 -0.780 9.094 1.00 0.00 C ATOM 201 CG LYS A 17 7.246 0.719 9.311 1.00 0.00 C ATOM 202 CD LYS A 17 7.770 1.125 10.678 1.00 0.00 C ATOM 203 CE LYS A 17 9.290 1.097 10.722 1.00 0.00 C ATOM 204 NZ LYS A 17 9.810 -0.256 11.064 1.00 0.00 N ATOM 0 H LYS A 17 7.229 -3.208 8.394 1.00 0.00 H new ATOM 0 HA LYS A 17 5.585 -0.858 7.879 1.00 0.00 H new ATOM 0 HB2 LYS A 17 6.987 -1.295 9.980 1.00 0.00 H new ATOM 0 HB3 LYS A 17 8.409 -1.046 8.987 1.00 0.00 H new ATOM 0 HG2 LYS A 17 7.806 1.242 8.536 1.00 0.00 H new ATOM 0 HG3 LYS A 17 6.204 1.025 9.214 1.00 0.00 H new ATOM 0 HD2 LYS A 17 7.416 2.127 10.922 1.00 0.00 H new ATOM 0 HD3 LYS A 17 7.370 0.452 11.437 1.00 0.00 H new ATOM 0 HE2 LYS A 17 9.687 1.405 9.755 1.00 0.00 H new ATOM 0 HE3 LYS A 17 9.645 1.819 11.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 10.576 -0.167 11.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 9.042 -0.832 11.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 10.176 -0.714 10.205 1.00 0.00 H new ATOM 218 N VAL A 18 6.751 0.207 5.960 1.00 0.00 N ATOM 219 CA VAL A 18 7.328 0.739 4.732 1.00 0.00 C ATOM 220 C VAL A 18 7.780 2.184 4.918 1.00 0.00 C ATOM 221 O VAL A 18 8.775 2.614 4.335 1.00 0.00 O ATOM 222 CB VAL A 18 6.325 0.673 3.564 1.00 0.00 C ATOM 223 CG1 VAL A 18 5.729 -0.722 3.451 1.00 0.00 C ATOM 224 CG2 VAL A 18 5.233 1.716 3.742 1.00 0.00 C ATOM 0 H VAL A 18 5.912 0.693 6.277 1.00 0.00 H new ATOM 0 HA VAL A 18 8.192 0.118 4.494 1.00 0.00 H new ATOM 0 HB VAL A 18 6.856 0.891 2.637 1.00 0.00 H new ATOM 0 HG11 VAL A 18 5.023 -0.750 2.621 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.526 -1.445 3.274 1.00 0.00 H new ATOM 0 HG13 VAL A 18 5.211 -0.972 4.377 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.533 1.656 2.909 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.702 1.531 4.676 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.680 2.710 3.769 1.00 0.00 H new ATOM 234 N PHE A 19 7.041 2.928 5.734 1.00 0.00 N ATOM 235 CA PHE A 19 7.365 4.325 5.997 1.00 0.00 C ATOM 236 C PHE A 19 7.056 4.692 7.446 1.00 0.00 C ATOM 237 O PHE A 19 6.027 4.294 7.991 1.00 0.00 O ATOM 238 CB PHE A 19 6.584 5.239 5.050 1.00 0.00 C ATOM 239 CG PHE A 19 6.660 6.693 5.421 1.00 0.00 C ATOM 240 CD1 PHE A 19 7.700 7.485 4.963 1.00 0.00 C ATOM 241 CD2 PHE A 19 5.692 7.266 6.229 1.00 0.00 C ATOM 242 CE1 PHE A 19 7.773 8.823 5.302 1.00 0.00 C ATOM 243 CE2 PHE A 19 5.759 8.604 6.572 1.00 0.00 C ATOM 244 CZ PHE A 19 6.801 9.383 6.108 1.00 0.00 C ATOM 0 H PHE A 19 6.214 2.587 6.224 1.00 0.00 H new ATOM 0 HA PHE A 19 8.433 4.463 5.826 1.00 0.00 H new ATOM 0 HB2 PHE A 19 6.965 5.110 4.037 1.00 0.00 H new ATOM 0 HB3 PHE A 19 5.539 4.929 5.039 1.00 0.00 H new ATOM 0 HD1 PHE A 19 8.463 7.052 4.333 1.00 0.00 H new ATOM 0 HD2 PHE A 19 4.876 6.661 6.595 1.00 0.00 H new ATOM 0 HE1 PHE A 19 8.589 9.430 4.937 1.00 0.00 H new ATOM 0 HE2 PHE A 19 4.997 9.039 7.202 1.00 0.00 H new ATOM 0 HZ PHE A 19 6.856 10.428 6.375 1.00 0.00 H new ATOM 254 N GLU A 20 7.954 5.453 8.063 1.00 0.00 N ATOM 255 CA GLU A 20 7.778 5.872 9.448 1.00 0.00 C ATOM 256 C GLU A 20 8.231 7.316 9.642 1.00 0.00 C ATOM 257 O GLU A 20 9.360 7.673 9.305 1.00 0.00 O ATOM 258 CB GLU A 20 8.559 4.950 10.386 1.00 0.00 C ATOM 259 CG GLU A 20 8.402 5.302 11.856 1.00 0.00 C ATOM 260 CD GLU A 20 9.179 6.545 12.244 1.00 0.00 C ATOM 261 OE1 GLU A 20 10.359 6.656 11.850 1.00 0.00 O ATOM 262 OE2 GLU A 20 8.606 7.408 12.942 1.00 0.00 O ATOM 0 H GLU A 20 8.811 5.792 7.625 1.00 0.00 H new ATOM 0 HA GLU A 20 6.717 5.808 9.688 1.00 0.00 H new ATOM 0 HB2 GLU A 20 8.229 3.923 10.230 1.00 0.00 H new ATOM 0 HB3 GLU A 20 9.616 4.989 10.123 1.00 0.00 H new ATOM 0 HG2 GLU A 20 7.346 5.454 12.079 1.00 0.00 H new ATOM 0 HG3 GLU A 20 8.739 4.463 12.465 1.00 0.00 H new ATOM 269 N ARG A 21 7.343 8.141 10.187 1.00 0.00 N ATOM 270 CA ARG A 21 7.651 9.546 10.424 1.00 0.00 C ATOM 271 C ARG A 21 7.292 9.947 11.851 1.00 0.00 C ATOM 272 O ARG A 21 6.392 9.370 12.461 1.00 0.00 O ATOM 273 CB ARG A 21 6.896 10.430 9.429 1.00 0.00 C ATOM 274 CG ARG A 21 7.310 11.892 9.477 1.00 0.00 C ATOM 275 CD ARG A 21 7.112 12.571 8.132 1.00 0.00 C ATOM 276 NE ARG A 21 8.136 12.182 7.165 1.00 0.00 N ATOM 277 CZ ARG A 21 8.058 12.447 5.866 1.00 0.00 C ATOM 278 NH1 ARG A 21 7.011 13.098 5.380 1.00 0.00 N ATOM 279 NH2 ARG A 21 9.030 12.060 5.050 1.00 0.00 N ATOM 0 H ARG A 21 6.405 7.861 10.473 1.00 0.00 H new ATOM 0 HA ARG A 21 8.723 9.686 10.284 1.00 0.00 H new ATOM 0 HB2 ARG A 21 7.058 10.048 8.421 1.00 0.00 H new ATOM 0 HB3 ARG A 21 5.827 10.357 9.629 1.00 0.00 H new ATOM 0 HG2 ARG A 21 6.727 12.412 10.237 1.00 0.00 H new ATOM 0 HG3 ARG A 21 8.357 11.965 9.772 1.00 0.00 H new ATOM 0 HD2 ARG A 21 6.128 12.317 7.739 1.00 0.00 H new ATOM 0 HD3 ARG A 21 7.132 13.653 8.266 1.00 0.00 H new ATOM 0 HE ARG A 21 8.955 11.680 7.506 1.00 0.00 H new ATOM 0 HH11 ARG A 21 6.262 13.397 6.004 1.00 0.00 H new ATOM 0 HH12 ARG A 21 6.954 13.300 4.382 1.00 0.00 H new ATOM 0 HH21 ARG A 21 9.837 11.559 5.420 1.00 0.00 H new ATOM 0 HH22 ARG A 21 8.970 12.264 4.052 1.00 0.00 H new ATOM 293 N GLU A 22 8.002 10.940 12.378 1.00 0.00 N ATOM 294 CA GLU A 22 7.759 11.417 13.734 1.00 0.00 C ATOM 295 C GLU A 22 6.273 11.688 13.957 1.00 0.00 C ATOM 296 O GLU A 22 5.810 11.769 15.094 1.00 0.00 O ATOM 297 CB GLU A 22 8.566 12.689 14.004 1.00 0.00 C ATOM 298 CG GLU A 22 8.194 13.850 13.098 1.00 0.00 C ATOM 299 CD GLU A 22 9.303 14.877 12.980 1.00 0.00 C ATOM 300 OE1 GLU A 22 10.486 14.477 12.990 1.00 0.00 O ATOM 301 OE2 GLU A 22 8.988 16.081 12.878 1.00 0.00 O ATOM 0 H GLU A 22 8.750 11.429 11.886 1.00 0.00 H new ATOM 0 HA GLU A 22 8.078 10.639 14.428 1.00 0.00 H new ATOM 0 HB2 GLU A 22 8.420 12.988 15.042 1.00 0.00 H new ATOM 0 HB3 GLU A 22 9.627 12.469 13.882 1.00 0.00 H new ATOM 0 HG2 GLU A 22 7.950 13.468 12.106 1.00 0.00 H new ATOM 0 HG3 GLU A 22 7.296 14.333 13.483 1.00 0.00 H new ATOM 308 N GLY A 23 5.532 11.828 12.862 1.00 0.00 N ATOM 309 CA GLY A 23 4.108 12.088 12.959 1.00 0.00 C ATOM 310 C GLY A 23 3.286 11.146 12.101 1.00 0.00 C ATOM 311 O GLY A 23 2.273 10.610 12.550 1.00 0.00 O ATOM 0 H GLY A 23 5.893 11.766 11.910 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.795 11.994 13.999 1.00 0.00 H new ATOM 0 HA3 GLY A 23 3.908 13.116 12.658 1.00 0.00 H new ATOM 315 N VAL A 24 3.722 10.945 10.862 1.00 0.00 N ATOM 316 CA VAL A 24 3.020 10.062 9.938 1.00 0.00 C ATOM 317 C VAL A 24 3.598 8.652 9.980 1.00 0.00 C ATOM 318 O VAL A 24 4.812 8.471 10.066 1.00 0.00 O ATOM 319 CB VAL A 24 3.089 10.591 8.494 1.00 0.00 C ATOM 320 CG1 VAL A 24 2.271 9.710 7.562 1.00 0.00 C ATOM 321 CG2 VAL A 24 2.613 12.034 8.432 1.00 0.00 C ATOM 0 H VAL A 24 4.558 11.382 10.475 1.00 0.00 H new ATOM 0 HA VAL A 24 1.978 10.034 10.257 1.00 0.00 H new ATOM 0 HB VAL A 24 4.127 10.561 8.164 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.332 10.100 6.546 1.00 0.00 H new ATOM 0 HG12 VAL A 24 2.663 8.693 7.585 1.00 0.00 H new ATOM 0 HG13 VAL A 24 1.230 9.705 7.887 1.00 0.00 H new ATOM 0 HG21 VAL A 24 2.669 12.392 7.404 1.00 0.00 H new ATOM 0 HG22 VAL A 24 1.582 12.092 8.781 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.247 12.654 9.066 1.00 0.00 H new ATOM 331 N GLN A 25 2.720 7.656 9.918 1.00 0.00 N ATOM 332 CA GLN A 25 3.143 6.261 9.949 1.00 0.00 C ATOM 333 C GLN A 25 2.345 5.428 8.952 1.00 0.00 C ATOM 334 O GLN A 25 1.114 5.481 8.927 1.00 0.00 O ATOM 335 CB GLN A 25 2.980 5.688 11.357 1.00 0.00 C ATOM 336 CG GLN A 25 4.210 5.865 12.233 1.00 0.00 C ATOM 337 CD GLN A 25 3.869 5.954 13.707 1.00 0.00 C ATOM 338 OE1 GLN A 25 2.756 6.330 14.077 1.00 0.00 O ATOM 339 NE2 GLN A 25 4.827 5.606 14.559 1.00 0.00 N ATOM 0 H GLN A 25 1.711 7.789 9.846 1.00 0.00 H new ATOM 0 HA GLN A 25 4.195 6.220 9.668 1.00 0.00 H new ATOM 0 HB2 GLN A 25 2.129 6.168 11.839 1.00 0.00 H new ATOM 0 HB3 GLN A 25 2.747 4.626 11.283 1.00 0.00 H new ATOM 0 HG2 GLN A 25 4.890 5.029 12.071 1.00 0.00 H new ATOM 0 HG3 GLN A 25 4.739 6.769 11.931 1.00 0.00 H new ATOM 0 HE21 GLN A 25 5.735 5.300 14.209 1.00 0.00 H new ATOM 0 HE22 GLN A 25 4.655 5.644 15.564 1.00 0.00 H new ATOM 348 N LEU A 26 3.052 4.659 8.131 1.00 0.00 N ATOM 349 CA LEU A 26 2.409 3.813 7.131 1.00 0.00 C ATOM 350 C LEU A 26 2.699 2.340 7.396 1.00 0.00 C ATOM 351 O LEU A 26 3.856 1.929 7.474 1.00 0.00 O ATOM 352 CB LEU A 26 2.887 4.195 5.729 1.00 0.00 C ATOM 353 CG LEU A 26 1.927 3.875 4.582 1.00 0.00 C ATOM 354 CD1 LEU A 26 0.740 4.825 4.599 1.00 0.00 C ATOM 355 CD2 LEU A 26 2.650 3.946 3.245 1.00 0.00 C ATOM 0 H LEU A 26 4.070 4.604 8.138 1.00 0.00 H new ATOM 0 HA LEU A 26 1.332 3.969 7.196 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.093 5.265 5.716 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.832 3.686 5.538 1.00 0.00 H new ATOM 0 HG LEU A 26 1.556 2.859 4.718 1.00 0.00 H new ATOM 0 HD11 LEU A 26 0.068 4.582 3.776 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.207 4.724 5.544 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.093 5.850 4.489 1.00 0.00 H new ATOM 0 HD21 LEU A 26 1.951 3.715 2.441 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.051 4.949 3.101 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.467 3.224 3.234 1.00 0.00 H new ATOM 367 N ASN A 27 1.640 1.548 7.531 1.00 0.00 N ATOM 368 CA ASN A 27 1.781 0.119 7.786 1.00 0.00 C ATOM 369 C ASN A 27 1.294 -0.697 6.592 1.00 0.00 C ATOM 370 O ASN A 27 0.403 -0.270 5.856 1.00 0.00 O ATOM 371 CB ASN A 27 0.999 -0.276 9.040 1.00 0.00 C ATOM 372 CG ASN A 27 1.628 0.267 10.308 1.00 0.00 C ATOM 373 OD1 ASN A 27 2.553 -0.328 10.860 1.00 0.00 O ATOM 374 ND2 ASN A 27 1.126 1.405 10.777 1.00 0.00 N ATOM 0 H ASN A 27 0.675 1.872 7.468 1.00 0.00 H new ATOM 0 HA ASN A 27 2.838 -0.094 7.943 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -0.024 0.092 8.958 1.00 0.00 H new ATOM 0 HB3 ASN A 27 0.942 -1.363 9.102 1.00 0.00 H new ATOM 0 HD21 ASN A 27 1.508 1.819 11.627 1.00 0.00 H new ATOM 0 HD22 ASN A 27 0.359 1.864 10.287 1.00 0.00 H new ATOM 381 N LEU A 28 1.885 -1.872 6.405 1.00 0.00 N ATOM 382 CA LEU A 28 1.512 -2.749 5.301 1.00 0.00 C ATOM 383 C LEU A 28 0.841 -4.019 5.816 1.00 0.00 C ATOM 384 O LEU A 28 1.324 -4.649 6.757 1.00 0.00 O ATOM 385 CB LEU A 28 2.745 -3.110 4.472 1.00 0.00 C ATOM 386 CG LEU A 28 2.484 -3.507 3.018 1.00 0.00 C ATOM 387 CD1 LEU A 28 3.794 -3.626 2.254 1.00 0.00 C ATOM 388 CD2 LEU A 28 1.706 -4.812 2.953 1.00 0.00 C ATOM 0 H LEU A 28 2.625 -2.239 7.004 1.00 0.00 H new ATOM 0 HA LEU A 28 0.801 -2.215 4.670 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.425 -2.258 4.479 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.261 -3.933 4.965 1.00 0.00 H new ATOM 0 HG LEU A 28 1.884 -2.726 2.550 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.589 -3.909 1.222 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.313 -2.668 2.271 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.420 -4.386 2.721 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.529 -5.079 1.911 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.280 -5.602 3.438 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.751 -4.692 3.464 1.00 0.00 H new ATOM 400 N SER A 29 -0.272 -4.389 5.192 1.00 0.00 N ATOM 401 CA SER A 29 -1.010 -5.583 5.589 1.00 0.00 C ATOM 402 C SER A 29 -1.302 -6.467 4.380 1.00 0.00 C ATOM 403 O SER A 29 -1.790 -5.994 3.354 1.00 0.00 O ATOM 404 CB SER A 29 -2.318 -5.194 6.279 1.00 0.00 C ATOM 405 OG SER A 29 -2.706 -6.173 7.227 1.00 0.00 O ATOM 0 H SER A 29 -0.683 -3.880 4.410 1.00 0.00 H new ATOM 0 HA SER A 29 -0.393 -6.146 6.289 1.00 0.00 H new ATOM 0 HB2 SER A 29 -2.199 -4.231 6.775 1.00 0.00 H new ATOM 0 HB3 SER A 29 -3.104 -5.074 5.534 1.00 0.00 H new ATOM 0 HG SER A 29 -3.544 -5.900 7.655 1.00 0.00 H new ATOM 411 N PHE A 30 -1.001 -7.755 4.510 1.00 0.00 N ATOM 412 CA PHE A 30 -1.230 -8.707 3.430 1.00 0.00 C ATOM 413 C PHE A 30 -2.432 -9.596 3.733 1.00 0.00 C ATOM 414 O PHE A 30 -2.693 -9.931 4.889 1.00 0.00 O ATOM 415 CB PHE A 30 0.014 -9.570 3.209 1.00 0.00 C ATOM 416 CG PHE A 30 1.262 -8.771 2.960 1.00 0.00 C ATOM 417 CD1 PHE A 30 2.024 -8.304 4.019 1.00 0.00 C ATOM 418 CD2 PHE A 30 1.671 -8.487 1.667 1.00 0.00 C ATOM 419 CE1 PHE A 30 3.173 -7.569 3.793 1.00 0.00 C ATOM 420 CE2 PHE A 30 2.819 -7.753 1.435 1.00 0.00 C ATOM 421 CZ PHE A 30 3.570 -7.292 2.499 1.00 0.00 C ATOM 0 H PHE A 30 -0.598 -8.163 5.353 1.00 0.00 H new ATOM 0 HA PHE A 30 -1.438 -8.143 2.521 1.00 0.00 H new ATOM 0 HB2 PHE A 30 0.166 -10.204 4.082 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -0.159 -10.232 2.361 1.00 0.00 H new ATOM 0 HD1 PHE A 30 1.717 -8.517 5.032 1.00 0.00 H new ATOM 0 HD2 PHE A 30 1.087 -8.843 0.831 1.00 0.00 H new ATOM 0 HE1 PHE A 30 3.759 -7.212 4.627 1.00 0.00 H new ATOM 0 HE2 PHE A 30 3.129 -7.540 0.423 1.00 0.00 H new ATOM 0 HZ PHE A 30 4.466 -6.716 2.320 1.00 0.00 H new ATOM 431 N ILE A 31 -3.160 -9.973 2.688 1.00 0.00 N ATOM 432 CA ILE A 31 -4.335 -10.823 2.843 1.00 0.00 C ATOM 433 C ILE A 31 -4.414 -11.859 1.727 1.00 0.00 C ATOM 434 O ILE A 31 -4.261 -11.531 0.550 1.00 0.00 O ATOM 435 CB ILE A 31 -5.632 -9.994 2.852 1.00 0.00 C ATOM 436 CG1 ILE A 31 -5.788 -9.264 4.187 1.00 0.00 C ATOM 437 CG2 ILE A 31 -6.834 -10.889 2.588 1.00 0.00 C ATOM 438 CD1 ILE A 31 -5.038 -7.952 4.249 1.00 0.00 C ATOM 0 H ILE A 31 -2.958 -9.704 1.725 1.00 0.00 H new ATOM 0 HA ILE A 31 -4.233 -11.332 3.801 1.00 0.00 H new ATOM 0 HB ILE A 31 -5.575 -9.250 2.057 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -6.846 -9.077 4.368 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -5.437 -9.912 4.990 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -7.744 -10.289 2.597 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -6.725 -11.367 1.615 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -6.896 -11.653 3.363 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -5.194 -7.490 5.224 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.974 -8.134 4.100 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -5.405 -7.286 3.468 1.00 0.00 H new ATOM 450 N ARG A 32 -4.655 -13.110 2.104 1.00 0.00 N ATOM 451 CA ARG A 32 -4.756 -14.194 1.135 1.00 0.00 C ATOM 452 C ARG A 32 -6.029 -15.005 1.357 1.00 0.00 C ATOM 453 O ARG A 32 -6.141 -15.785 2.303 1.00 0.00 O ATOM 454 CB ARG A 32 -3.533 -15.108 1.232 1.00 0.00 C ATOM 455 CG ARG A 32 -2.213 -14.357 1.279 1.00 0.00 C ATOM 456 CD ARG A 32 -1.028 -15.307 1.210 1.00 0.00 C ATOM 457 NE ARG A 32 -0.745 -15.924 2.504 1.00 0.00 N ATOM 458 CZ ARG A 32 -1.361 -17.014 2.948 1.00 0.00 C ATOM 459 NH1 ARG A 32 -2.288 -17.605 2.206 1.00 0.00 N ATOM 460 NH2 ARG A 32 -1.049 -17.516 4.136 1.00 0.00 N ATOM 0 H ARG A 32 -4.784 -13.398 3.074 1.00 0.00 H new ATOM 0 HA ARG A 32 -4.795 -13.755 0.138 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -3.622 -15.726 2.126 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -3.526 -15.784 0.377 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -2.164 -13.652 0.449 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -2.159 -13.772 2.197 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -1.230 -16.085 0.474 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -0.147 -14.764 0.867 1.00 0.00 H new ATOM 0 HE ARG A 32 -0.036 -15.495 3.099 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -2.530 -17.223 1.292 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -2.759 -18.442 2.550 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -0.336 -17.065 4.709 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -1.522 -18.353 4.476 1.00 0.00 H new ATOM 474 N PRO A 33 -7.013 -14.818 0.465 1.00 0.00 N ATOM 475 CA PRO A 33 -8.296 -15.523 0.542 1.00 0.00 C ATOM 476 C PRO A 33 -8.161 -17.009 0.227 1.00 0.00 C ATOM 477 O PRO A 33 -7.275 -17.433 -0.514 1.00 0.00 O ATOM 478 CB PRO A 33 -9.148 -14.827 -0.522 1.00 0.00 C ATOM 479 CG PRO A 33 -8.163 -14.274 -1.494 1.00 0.00 C ATOM 480 CD PRO A 33 -6.949 -13.904 -0.688 1.00 0.00 C ATOM 0 HA PRO A 33 -8.723 -15.482 1.544 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -9.829 -15.528 -1.004 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -9.759 -14.037 -0.085 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -7.914 -15.010 -2.259 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -8.570 -13.404 -2.009 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -6.031 -14.041 -1.259 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -6.977 -12.860 -0.375 1.00 0.00 H new ATOM 488 N PRO A 34 -9.060 -17.821 0.803 1.00 0.00 N ATOM 489 CA PRO A 34 -9.062 -19.272 0.598 1.00 0.00 C ATOM 490 C PRO A 34 -9.476 -19.657 -0.818 1.00 0.00 C ATOM 491 O PRO A 34 -8.920 -20.583 -1.407 1.00 0.00 O ATOM 492 CB PRO A 34 -10.094 -19.773 1.612 1.00 0.00 C ATOM 493 CG PRO A 34 -11.002 -18.612 1.832 1.00 0.00 C ATOM 494 CD PRO A 34 -10.144 -17.384 1.699 1.00 0.00 C ATOM 0 HA PRO A 34 -8.070 -19.703 0.731 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -10.639 -20.635 1.229 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -9.617 -20.085 2.541 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -11.810 -18.605 1.101 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -11.465 -18.660 2.818 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -10.702 -16.548 1.277 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -9.760 -17.056 2.665 1.00 0.00 H new ATOM 502 N GLU A 35 -10.456 -18.939 -1.359 1.00 0.00 N ATOM 503 CA GLU A 35 -10.945 -19.207 -2.706 1.00 0.00 C ATOM 504 C GLU A 35 -9.862 -18.923 -3.744 1.00 0.00 C ATOM 505 O GLU A 35 -9.690 -19.678 -4.699 1.00 0.00 O ATOM 506 CB GLU A 35 -12.184 -18.360 -3.001 1.00 0.00 C ATOM 507 CG GLU A 35 -11.924 -16.864 -2.954 1.00 0.00 C ATOM 508 CD GLU A 35 -13.184 -16.046 -3.161 1.00 0.00 C ATOM 509 OE1 GLU A 35 -14.277 -16.542 -2.815 1.00 0.00 O ATOM 510 OE2 GLU A 35 -13.078 -14.910 -3.669 1.00 0.00 O ATOM 0 H GLU A 35 -10.926 -18.168 -0.885 1.00 0.00 H new ATOM 0 HA GLU A 35 -11.213 -20.262 -2.765 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -12.567 -18.623 -3.987 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -12.963 -18.608 -2.280 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -11.482 -16.606 -1.992 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -11.195 -16.601 -3.721 1.00 0.00 H new ATOM 517 N ASN A 36 -9.136 -17.827 -3.547 1.00 0.00 N ATOM 518 CA ASN A 36 -8.071 -17.442 -4.465 1.00 0.00 C ATOM 519 C ASN A 36 -6.724 -17.396 -3.749 1.00 0.00 C ATOM 520 O ASN A 36 -6.306 -16.363 -3.226 1.00 0.00 O ATOM 521 CB ASN A 36 -8.375 -16.078 -5.089 1.00 0.00 C ATOM 522 CG ASN A 36 -9.250 -16.190 -6.323 1.00 0.00 C ATOM 523 OD1 ASN A 36 -9.851 -17.233 -6.580 1.00 0.00 O ATOM 524 ND2 ASN A 36 -9.324 -15.111 -7.095 1.00 0.00 N ATOM 0 H ASN A 36 -9.266 -17.191 -2.760 1.00 0.00 H new ATOM 0 HA ASN A 36 -8.018 -18.192 -5.254 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -8.870 -15.446 -4.352 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -7.439 -15.586 -5.354 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -9.896 -15.126 -7.939 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -8.809 -14.268 -6.843 1.00 0.00 H new ATOM 531 N PRO A 37 -6.028 -18.542 -3.724 1.00 0.00 N ATOM 532 CA PRO A 37 -4.719 -18.659 -3.076 1.00 0.00 C ATOM 533 C PRO A 37 -3.630 -17.900 -3.827 1.00 0.00 C ATOM 534 O PRO A 37 -2.673 -17.413 -3.227 1.00 0.00 O ATOM 535 CB PRO A 37 -4.440 -20.164 -3.107 1.00 0.00 C ATOM 536 CG PRO A 37 -5.234 -20.672 -4.260 1.00 0.00 C ATOM 537 CD PRO A 37 -6.466 -19.813 -4.326 1.00 0.00 C ATOM 0 HA PRO A 37 -4.722 -18.233 -2.073 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -3.377 -20.367 -3.238 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -4.744 -20.642 -2.176 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -4.663 -20.607 -5.186 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -5.497 -21.721 -4.121 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -6.806 -19.676 -5.353 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -7.294 -20.255 -3.773 1.00 0.00 H new ATOM 545 N ALA A 38 -3.784 -17.804 -5.144 1.00 0.00 N ATOM 546 CA ALA A 38 -2.815 -17.102 -5.977 1.00 0.00 C ATOM 547 C ALA A 38 -3.071 -15.599 -5.968 1.00 0.00 C ATOM 548 O ALA A 38 -2.323 -14.828 -6.571 1.00 0.00 O ATOM 549 CB ALA A 38 -2.856 -17.639 -7.400 1.00 0.00 C ATOM 0 H ALA A 38 -4.570 -18.203 -5.657 1.00 0.00 H new ATOM 0 HA ALA A 38 -1.822 -17.277 -5.563 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -2.128 -17.106 -8.011 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -2.617 -18.702 -7.395 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -3.853 -17.494 -7.815 1.00 0.00 H new ATOM 555 N LEU A 39 -4.132 -15.188 -5.282 1.00 0.00 N ATOM 556 CA LEU A 39 -4.487 -13.775 -5.196 1.00 0.00 C ATOM 557 C LEU A 39 -3.925 -13.150 -3.923 1.00 0.00 C ATOM 558 O LEU A 39 -4.125 -13.668 -2.823 1.00 0.00 O ATOM 559 CB LEU A 39 -6.007 -13.608 -5.233 1.00 0.00 C ATOM 560 CG LEU A 39 -6.527 -12.175 -5.121 1.00 0.00 C ATOM 561 CD1 LEU A 39 -6.398 -11.455 -6.455 1.00 0.00 C ATOM 562 CD2 LEU A 39 -7.973 -12.168 -4.647 1.00 0.00 C ATOM 0 H LEU A 39 -4.761 -15.812 -4.777 1.00 0.00 H new ATOM 0 HA LEU A 39 -4.051 -13.262 -6.053 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.377 -14.036 -6.165 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.437 -14.194 -4.421 1.00 0.00 H new ATOM 0 HG LEU A 39 -5.922 -11.645 -4.385 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -6.773 -10.436 -6.356 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.350 -11.429 -6.754 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -6.978 -11.984 -7.211 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -8.327 -11.140 -4.573 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -8.592 -12.714 -5.359 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -8.038 -12.645 -3.669 1.00 0.00 H new ATOM 574 N LEU A 40 -3.224 -12.032 -4.079 1.00 0.00 N ATOM 575 CA LEU A 40 -2.635 -11.334 -2.942 1.00 0.00 C ATOM 576 C LEU A 40 -3.307 -9.981 -2.727 1.00 0.00 C ATOM 577 O LEU A 40 -3.075 -9.034 -3.480 1.00 0.00 O ATOM 578 CB LEU A 40 -1.133 -11.141 -3.158 1.00 0.00 C ATOM 579 CG LEU A 40 -0.393 -10.360 -2.072 1.00 0.00 C ATOM 580 CD1 LEU A 40 -0.157 -11.236 -0.851 1.00 0.00 C ATOM 581 CD2 LEU A 40 0.925 -9.821 -2.607 1.00 0.00 C ATOM 0 H LEU A 40 -3.050 -11.590 -4.982 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.792 -11.944 -2.052 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.670 -12.124 -3.250 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.986 -10.629 -4.109 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.013 -9.515 -1.773 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.371 -10.663 -0.089 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.115 -11.572 -0.454 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.442 -12.101 -1.134 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.438 -9.268 -1.820 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.551 -10.651 -2.935 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.731 -9.158 -3.450 1.00 0.00 H new ATOM 593 N LEU A 41 -4.138 -9.897 -1.694 1.00 0.00 N ATOM 594 CA LEU A 41 -4.842 -8.659 -1.377 1.00 0.00 C ATOM 595 C LEU A 41 -4.063 -7.835 -0.357 1.00 0.00 C ATOM 596 O LEU A 41 -3.996 -8.189 0.820 1.00 0.00 O ATOM 597 CB LEU A 41 -6.240 -8.967 -0.840 1.00 0.00 C ATOM 598 CG LEU A 41 -7.101 -9.893 -1.700 1.00 0.00 C ATOM 599 CD1 LEU A 41 -8.371 -10.283 -0.959 1.00 0.00 C ATOM 600 CD2 LEU A 41 -7.438 -9.227 -3.026 1.00 0.00 C ATOM 0 H LEU A 41 -4.341 -10.671 -1.062 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.932 -8.077 -2.294 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -6.137 -9.414 0.149 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.773 -8.025 -0.710 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.532 -10.800 -1.905 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.971 -10.942 -1.587 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -8.109 -10.800 -0.036 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -8.944 -9.387 -0.723 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -8.051 -9.900 -3.626 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -7.987 -8.304 -2.840 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.517 -8.999 -3.563 1.00 0.00 H new ATOM 612 N ILE A 42 -3.478 -6.734 -0.816 1.00 0.00 N ATOM 613 CA ILE A 42 -2.706 -5.858 0.057 1.00 0.00 C ATOM 614 C ILE A 42 -3.525 -4.641 0.477 1.00 0.00 C ATOM 615 O ILE A 42 -4.266 -4.071 -0.323 1.00 0.00 O ATOM 616 CB ILE A 42 -1.411 -5.380 -0.625 1.00 0.00 C ATOM 617 CG1 ILE A 42 -0.408 -6.532 -0.727 1.00 0.00 C ATOM 618 CG2 ILE A 42 -0.809 -4.212 0.140 1.00 0.00 C ATOM 619 CD1 ILE A 42 0.908 -6.132 -1.356 1.00 0.00 C ATOM 0 H ILE A 42 -3.524 -6.427 -1.788 1.00 0.00 H new ATOM 0 HA ILE A 42 -2.447 -6.442 0.940 1.00 0.00 H new ATOM 0 HB ILE A 42 -1.652 -5.042 -1.633 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -0.219 -6.928 0.271 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.851 -7.338 -1.312 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.106 -3.886 -0.355 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -1.522 -3.388 0.165 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -0.579 -4.524 1.159 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.570 -6.997 -1.396 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.731 -5.763 -2.366 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.373 -5.347 -0.759 1.00 0.00 H new ATOM 631 N THR A 43 -3.384 -4.247 1.739 1.00 0.00 N ATOM 632 CA THR A 43 -4.109 -3.098 2.267 1.00 0.00 C ATOM 633 C THR A 43 -3.162 -2.115 2.945 1.00 0.00 C ATOM 634 O THR A 43 -2.206 -2.517 3.609 1.00 0.00 O ATOM 635 CB THR A 43 -5.190 -3.530 3.274 1.00 0.00 C ATOM 636 OG1 THR A 43 -6.171 -4.344 2.622 1.00 0.00 O ATOM 637 CG2 THR A 43 -5.864 -2.318 3.899 1.00 0.00 C ATOM 0 H THR A 43 -2.774 -4.707 2.415 1.00 0.00 H new ATOM 0 HA THR A 43 -4.589 -2.610 1.419 1.00 0.00 H new ATOM 0 HB THR A 43 -4.708 -4.106 4.064 1.00 0.00 H new ATOM 0 HG1 THR A 43 -6.854 -4.616 3.270 1.00 0.00 H new ATOM 0 HG21 THR A 43 -6.624 -2.649 4.607 1.00 0.00 H new ATOM 0 HG22 THR A 43 -5.120 -1.716 4.421 1.00 0.00 H new ATOM 0 HG23 THR A 43 -6.332 -1.719 3.118 1.00 0.00 H new ATOM 645 N ILE A 44 -3.434 -0.826 2.774 1.00 0.00 N ATOM 646 CA ILE A 44 -2.606 0.215 3.372 1.00 0.00 C ATOM 647 C ILE A 44 -3.297 0.841 4.579 1.00 0.00 C ATOM 648 O ILE A 44 -4.526 0.897 4.646 1.00 0.00 O ATOM 649 CB ILE A 44 -2.271 1.322 2.355 1.00 0.00 C ATOM 650 CG1 ILE A 44 -2.219 0.744 0.939 1.00 0.00 C ATOM 651 CG2 ILE A 44 -0.950 1.986 2.712 1.00 0.00 C ATOM 652 CD1 ILE A 44 -1.818 1.756 -0.111 1.00 0.00 C ATOM 0 H ILE A 44 -4.221 -0.477 2.227 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.681 -0.263 3.693 1.00 0.00 H new ATOM 0 HB ILE A 44 -3.056 2.078 2.390 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -1.514 -0.087 0.920 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -3.198 0.337 0.685 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -0.727 2.766 1.984 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -1.021 2.427 3.706 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -0.154 1.241 2.702 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -1.802 1.277 -1.090 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -2.536 2.576 -0.119 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -0.826 2.145 0.119 1.00 0.00 H new ATOM 664 N THR A 45 -2.499 1.313 5.532 1.00 0.00 N ATOM 665 CA THR A 45 -3.033 1.937 6.736 1.00 0.00 C ATOM 666 C THR A 45 -2.293 3.229 7.061 1.00 0.00 C ATOM 667 O THR A 45 -1.299 3.221 7.786 1.00 0.00 O ATOM 668 CB THR A 45 -2.942 0.989 7.947 1.00 0.00 C ATOM 669 OG1 THR A 45 -3.706 -0.197 7.699 1.00 0.00 O ATOM 670 CG2 THR A 45 -3.450 1.671 9.208 1.00 0.00 C ATOM 0 H THR A 45 -1.480 1.275 5.493 1.00 0.00 H new ATOM 0 HA THR A 45 -4.081 2.162 6.537 1.00 0.00 H new ATOM 0 HB THR A 45 -1.895 0.723 8.094 1.00 0.00 H new ATOM 0 HG1 THR A 45 -3.642 -0.795 8.473 1.00 0.00 H new ATOM 0 HG21 THR A 45 -3.376 0.982 10.049 1.00 0.00 H new ATOM 0 HG22 THR A 45 -2.848 2.557 9.410 1.00 0.00 H new ATOM 0 HG23 THR A 45 -4.491 1.964 9.069 1.00 0.00 H new ATOM 678 N ALA A 46 -2.784 4.339 6.519 1.00 0.00 N ATOM 679 CA ALA A 46 -2.171 5.640 6.754 1.00 0.00 C ATOM 680 C ALA A 46 -2.785 6.326 7.969 1.00 0.00 C ATOM 681 O ALA A 46 -3.968 6.670 7.970 1.00 0.00 O ATOM 682 CB ALA A 46 -2.313 6.520 5.521 1.00 0.00 C ATOM 0 H ALA A 46 -3.605 4.363 5.914 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.111 5.483 6.956 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.851 7.489 5.710 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.820 6.042 4.674 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.370 6.660 5.294 1.00 0.00 H new ATOM 688 N THR A 47 -1.975 6.521 9.005 1.00 0.00 N ATOM 689 CA THR A 47 -2.440 7.164 10.228 1.00 0.00 C ATOM 690 C THR A 47 -1.650 8.436 10.515 1.00 0.00 C ATOM 691 O THR A 47 -0.421 8.419 10.551 1.00 0.00 O ATOM 692 CB THR A 47 -2.325 6.218 11.438 1.00 0.00 C ATOM 693 OG1 THR A 47 -1.046 5.575 11.438 1.00 0.00 O ATOM 694 CG2 THR A 47 -3.426 5.169 11.412 1.00 0.00 C ATOM 0 H THR A 47 -0.994 6.243 9.021 1.00 0.00 H new ATOM 0 HA THR A 47 -3.489 7.418 10.073 1.00 0.00 H new ATOM 0 HB THR A 47 -2.432 6.811 12.346 1.00 0.00 H new ATOM 0 HG1 THR A 47 -0.376 6.179 11.054 1.00 0.00 H new ATOM 0 HG21 THR A 47 -3.324 4.513 12.276 1.00 0.00 H new ATOM 0 HG22 THR A 47 -4.398 5.661 11.443 1.00 0.00 H new ATOM 0 HG23 THR A 47 -3.346 4.580 10.498 1.00 0.00 H new ATOM 702 N ASN A 48 -2.365 9.538 10.718 1.00 0.00 N ATOM 703 CA ASN A 48 -1.730 10.820 11.002 1.00 0.00 C ATOM 704 C ASN A 48 -2.107 11.317 12.394 1.00 0.00 C ATOM 705 O ASN A 48 -3.277 11.301 12.776 1.00 0.00 O ATOM 706 CB ASN A 48 -2.135 11.856 9.952 1.00 0.00 C ATOM 707 CG ASN A 48 -1.355 13.150 10.086 1.00 0.00 C ATOM 708 OD1 ASN A 48 -0.209 13.153 10.537 1.00 0.00 O ATOM 709 ND2 ASN A 48 -1.974 14.258 9.694 1.00 0.00 N ATOM 0 H ASN A 48 -3.384 9.569 10.691 1.00 0.00 H new ATOM 0 HA ASN A 48 -0.650 10.678 10.966 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -1.977 11.441 8.956 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -3.201 12.066 10.045 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -1.499 15.158 9.761 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -2.924 14.209 9.326 1.00 0.00 H new ATOM 716 N PHE A 49 -1.106 11.758 13.149 1.00 0.00 N ATOM 717 CA PHE A 49 -1.331 12.260 14.500 1.00 0.00 C ATOM 718 C PHE A 49 -0.812 13.687 14.644 1.00 0.00 C ATOM 719 O PHE A 49 -1.375 14.492 15.385 1.00 0.00 O ATOM 720 CB PHE A 49 -0.648 11.351 15.524 1.00 0.00 C ATOM 721 CG PHE A 49 -1.199 9.954 15.547 1.00 0.00 C ATOM 722 CD1 PHE A 49 -2.419 9.685 16.147 1.00 0.00 C ATOM 723 CD2 PHE A 49 -0.497 8.909 14.968 1.00 0.00 C ATOM 724 CE1 PHE A 49 -2.927 8.400 16.170 1.00 0.00 C ATOM 725 CE2 PHE A 49 -1.000 7.622 14.988 1.00 0.00 C ATOM 726 CZ PHE A 49 -2.218 7.367 15.589 1.00 0.00 C ATOM 0 H PHE A 49 -0.131 11.778 12.848 1.00 0.00 H new ATOM 0 HA PHE A 49 -2.405 12.263 14.686 1.00 0.00 H new ATOM 0 HB2 PHE A 49 0.419 11.309 15.306 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -0.753 11.791 16.516 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -2.979 10.489 16.602 1.00 0.00 H new ATOM 0 HD2 PHE A 49 0.455 9.103 14.495 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -3.878 8.204 16.642 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -0.442 6.816 14.534 1.00 0.00 H new ATOM 0 HZ PHE A 49 -2.614 6.362 15.604 1.00 0.00 H new ATOM 736 N SER A 50 0.267 13.993 13.929 1.00 0.00 N ATOM 737 CA SER A 50 0.865 15.321 13.979 1.00 0.00 C ATOM 738 C SER A 50 -0.210 16.399 14.086 1.00 0.00 C ATOM 739 O SER A 50 -1.342 16.205 13.644 1.00 0.00 O ATOM 740 CB SER A 50 1.725 15.564 12.737 1.00 0.00 C ATOM 741 OG SER A 50 0.952 15.461 11.554 1.00 0.00 O ATOM 0 H SER A 50 0.744 13.339 13.309 1.00 0.00 H new ATOM 0 HA SER A 50 1.497 15.374 14.866 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.180 16.553 12.793 1.00 0.00 H new ATOM 0 HB3 SER A 50 2.539 14.840 12.707 1.00 0.00 H new ATOM 0 HG SER A 50 0.653 14.535 11.438 1.00 0.00 H new ATOM 747 N GLU A 51 0.154 17.533 14.674 1.00 0.00 N ATOM 748 CA GLU A 51 -0.779 18.641 14.840 1.00 0.00 C ATOM 749 C GLU A 51 -1.275 19.141 13.486 1.00 0.00 C ATOM 750 O GLU A 51 -2.217 19.929 13.410 1.00 0.00 O ATOM 751 CB GLU A 51 -0.115 19.787 15.607 1.00 0.00 C ATOM 752 CG GLU A 51 0.740 19.323 16.773 1.00 0.00 C ATOM 753 CD GLU A 51 1.124 20.457 17.703 1.00 0.00 C ATOM 754 OE1 GLU A 51 1.575 21.508 17.202 1.00 0.00 O ATOM 755 OE2 GLU A 51 0.973 20.295 18.932 1.00 0.00 O ATOM 0 H GLU A 51 1.088 17.709 15.044 1.00 0.00 H new ATOM 0 HA GLU A 51 -1.634 18.280 15.411 1.00 0.00 H new ATOM 0 HB2 GLU A 51 0.505 20.362 14.919 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -0.888 20.460 15.979 1.00 0.00 H new ATOM 0 HG2 GLU A 51 0.198 18.564 17.337 1.00 0.00 H new ATOM 0 HG3 GLU A 51 1.644 18.850 16.390 1.00 0.00 H new ATOM 762 N GLY A 52 -0.633 18.677 12.418 1.00 0.00 N ATOM 763 CA GLY A 52 -1.022 19.087 11.082 1.00 0.00 C ATOM 764 C GLY A 52 -1.870 18.046 10.379 1.00 0.00 C ATOM 765 O GLY A 52 -1.626 16.846 10.509 1.00 0.00 O ATOM 0 H GLY A 52 0.150 18.024 12.455 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.576 20.024 11.140 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.128 19.282 10.490 1.00 0.00 H new ATOM 769 N ASP A 53 -2.869 18.504 9.633 1.00 0.00 N ATOM 770 CA ASP A 53 -3.757 17.603 8.907 1.00 0.00 C ATOM 771 C ASP A 53 -3.177 17.255 7.540 1.00 0.00 C ATOM 772 O ASP A 53 -2.308 17.958 7.025 1.00 0.00 O ATOM 773 CB ASP A 53 -5.139 18.237 8.743 1.00 0.00 C ATOM 774 CG ASP A 53 -5.542 19.066 9.946 1.00 0.00 C ATOM 775 OD1 ASP A 53 -4.923 20.128 10.171 1.00 0.00 O ATOM 776 OD2 ASP A 53 -6.477 18.654 10.664 1.00 0.00 O ATOM 0 H ASP A 53 -3.084 19.494 9.515 1.00 0.00 H new ATOM 0 HA ASP A 53 -3.855 16.684 9.485 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -5.143 18.867 7.853 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -5.879 17.453 8.582 1.00 0.00 H new ATOM 781 N VAL A 54 -3.664 16.164 6.956 1.00 0.00 N ATOM 782 CA VAL A 54 -3.195 15.722 5.648 1.00 0.00 C ATOM 783 C VAL A 54 -4.364 15.456 4.707 1.00 0.00 C ATOM 784 O VAL A 54 -5.243 14.645 5.002 1.00 0.00 O ATOM 785 CB VAL A 54 -2.340 14.447 5.761 1.00 0.00 C ATOM 786 CG1 VAL A 54 -2.175 13.792 4.398 1.00 0.00 C ATOM 787 CG2 VAL A 54 -0.985 14.766 6.375 1.00 0.00 C ATOM 0 H VAL A 54 -4.383 15.570 7.369 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.582 16.527 5.242 1.00 0.00 H new ATOM 0 HB VAL A 54 -2.854 13.744 6.416 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -1.568 12.892 4.498 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.155 13.526 4.001 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -1.684 14.487 3.717 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.394 13.853 6.447 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.462 15.488 5.748 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.127 15.186 7.371 1.00 0.00 H new ATOM 797 N THR A 55 -4.369 16.144 3.569 1.00 0.00 N ATOM 798 CA THR A 55 -5.430 15.983 2.583 1.00 0.00 C ATOM 799 C THR A 55 -4.862 15.603 1.220 1.00 0.00 C ATOM 800 O THR A 55 -3.647 15.490 1.053 1.00 0.00 O ATOM 801 CB THR A 55 -6.263 17.270 2.439 1.00 0.00 C ATOM 802 OG1 THR A 55 -5.417 18.362 2.061 1.00 0.00 O ATOM 803 CG2 THR A 55 -6.977 17.602 3.741 1.00 0.00 C ATOM 0 H THR A 55 -3.650 16.818 3.308 1.00 0.00 H new ATOM 0 HA THR A 55 -6.074 15.180 2.941 1.00 0.00 H new ATOM 0 HB THR A 55 -7.012 17.106 1.664 1.00 0.00 H new ATOM 0 HG1 THR A 55 -5.955 19.176 1.970 1.00 0.00 H new ATOM 0 HG21 THR A 55 -7.559 18.515 3.614 1.00 0.00 H new ATOM 0 HG22 THR A 55 -7.643 16.782 4.010 1.00 0.00 H new ATOM 0 HG23 THR A 55 -6.242 17.747 4.532 1.00 0.00 H new ATOM 811 N HIS A 56 -5.747 15.409 0.248 1.00 0.00 N ATOM 812 CA HIS A 56 -5.332 15.044 -1.102 1.00 0.00 C ATOM 813 C HIS A 56 -4.243 13.976 -1.065 1.00 0.00 C ATOM 814 O HIS A 56 -3.224 14.091 -1.747 1.00 0.00 O ATOM 815 CB HIS A 56 -4.829 16.276 -1.855 1.00 0.00 C ATOM 816 CG HIS A 56 -5.889 17.309 -2.089 1.00 0.00 C ATOM 817 ND1 HIS A 56 -5.911 18.525 -1.441 1.00 0.00 N ATOM 818 CD2 HIS A 56 -6.967 17.301 -2.907 1.00 0.00 C ATOM 819 CE1 HIS A 56 -6.957 19.221 -1.849 1.00 0.00 C ATOM 820 NE2 HIS A 56 -7.614 18.500 -2.740 1.00 0.00 N ATOM 0 H HIS A 56 -6.756 15.498 0.370 1.00 0.00 H new ATOM 0 HA HIS A 56 -6.198 14.637 -1.624 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -4.012 16.727 -1.292 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -4.420 15.963 -2.816 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -7.263 16.500 -3.568 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -7.229 20.210 -1.512 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -8.464 18.788 -3.225 1.00 0.00 H new ATOM 828 N PHE A 57 -4.464 12.939 -0.265 1.00 0.00 N ATOM 829 CA PHE A 57 -3.501 11.852 -0.138 1.00 0.00 C ATOM 830 C PHE A 57 -3.659 10.849 -1.277 1.00 0.00 C ATOM 831 O PHE A 57 -4.656 10.130 -1.351 1.00 0.00 O ATOM 832 CB PHE A 57 -3.673 11.144 1.208 1.00 0.00 C ATOM 833 CG PHE A 57 -3.130 9.744 1.222 1.00 0.00 C ATOM 834 CD1 PHE A 57 -1.914 9.452 0.625 1.00 0.00 C ATOM 835 CD2 PHE A 57 -3.835 8.719 1.833 1.00 0.00 C ATOM 836 CE1 PHE A 57 -1.411 8.164 0.637 1.00 0.00 C ATOM 837 CE2 PHE A 57 -3.337 7.430 1.848 1.00 0.00 C ATOM 838 CZ PHE A 57 -2.124 7.152 1.248 1.00 0.00 C ATOM 0 H PHE A 57 -5.302 12.828 0.306 1.00 0.00 H new ATOM 0 HA PHE A 57 -2.500 12.280 -0.190 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -3.174 11.727 1.982 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -4.733 11.117 1.463 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -1.353 10.240 0.145 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -4.784 8.930 2.303 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -0.462 7.950 0.169 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -3.896 6.640 2.328 1.00 0.00 H new ATOM 0 HZ PHE A 57 -1.734 6.145 1.257 1.00 0.00 H new ATOM 848 N ILE A 58 -2.669 10.808 -2.162 1.00 0.00 N ATOM 849 CA ILE A 58 -2.698 9.894 -3.297 1.00 0.00 C ATOM 850 C ILE A 58 -1.617 8.826 -3.170 1.00 0.00 C ATOM 851 O ILE A 58 -0.426 9.136 -3.125 1.00 0.00 O ATOM 852 CB ILE A 58 -2.509 10.644 -4.629 1.00 0.00 C ATOM 853 CG1 ILE A 58 -3.727 11.522 -4.923 1.00 0.00 C ATOM 854 CG2 ILE A 58 -2.273 9.658 -5.764 1.00 0.00 C ATOM 855 CD1 ILE A 58 -3.491 12.537 -6.019 1.00 0.00 C ATOM 0 H ILE A 58 -1.837 11.397 -2.115 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.678 9.418 -3.294 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.633 11.287 -4.545 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -4.565 10.884 -5.204 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -4.016 12.045 -4.011 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -2.141 10.204 -6.698 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -1.378 9.072 -5.557 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -3.131 8.991 -5.851 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -4.397 13.123 -6.173 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -2.674 13.199 -5.732 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -3.232 12.021 -6.943 1.00 0.00 H new ATOM 867 N CYS A 59 -2.040 7.568 -3.115 1.00 0.00 N ATOM 868 CA CYS A 59 -1.107 6.453 -2.995 1.00 0.00 C ATOM 869 C CYS A 59 -1.075 5.630 -4.279 1.00 0.00 C ATOM 870 O CYS A 59 -2.076 5.028 -4.666 1.00 0.00 O ATOM 871 CB CYS A 59 -1.495 5.562 -1.814 1.00 0.00 C ATOM 872 SG CYS A 59 -0.433 4.115 -1.600 1.00 0.00 S ATOM 0 H CYS A 59 -3.022 7.295 -3.152 1.00 0.00 H new ATOM 0 HA CYS A 59 -0.111 6.861 -2.822 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -1.469 6.156 -0.901 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -2.524 5.228 -1.948 1.00 0.00 H new ATOM 0 HG CYS A 59 -0.038 4.046 -0.363 1.00 0.00 H new ATOM 878 N GLN A 60 0.081 5.611 -4.934 1.00 0.00 N ATOM 879 CA GLN A 60 0.242 4.865 -6.176 1.00 0.00 C ATOM 880 C GLN A 60 1.197 3.691 -5.986 1.00 0.00 C ATOM 881 O GLN A 60 1.916 3.618 -4.989 1.00 0.00 O ATOM 882 CB GLN A 60 0.759 5.783 -7.285 1.00 0.00 C ATOM 883 CG GLN A 60 -0.207 6.899 -7.650 1.00 0.00 C ATOM 884 CD GLN A 60 -1.497 6.381 -8.254 1.00 0.00 C ATOM 885 OE1 GLN A 60 -2.533 6.267 -7.431 1.00 0.00 O flip ATOM 886 NE2 GLN A 60 -1.562 6.086 -9.448 1.00 0.00 N flip ATOM 0 H GLN A 60 0.919 6.103 -4.626 1.00 0.00 H new ATOM 0 HA GLN A 60 -0.734 4.474 -6.464 1.00 0.00 H new ATOM 0 HB2 GLN A 60 1.706 6.222 -6.970 1.00 0.00 H new ATOM 0 HB3 GLN A 60 0.964 5.186 -8.174 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -0.436 7.482 -6.758 1.00 0.00 H new ATOM 0 HG3 GLN A 60 0.275 7.575 -8.357 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -0.741 6.189 -10.044 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -2.437 5.738 -9.841 1.00 0.00 H new ATOM 895 N ALA A 61 1.200 2.774 -6.948 1.00 0.00 N ATOM 896 CA ALA A 61 2.068 1.605 -6.886 1.00 0.00 C ATOM 897 C ALA A 61 2.428 1.114 -8.285 1.00 0.00 C ATOM 898 O ALA A 61 1.904 1.611 -9.281 1.00 0.00 O ATOM 899 CB ALA A 61 1.400 0.493 -6.090 1.00 0.00 C ATOM 0 H ALA A 61 0.611 2.818 -7.779 1.00 0.00 H new ATOM 0 HA ALA A 61 2.990 1.894 -6.382 1.00 0.00 H new ATOM 0 HB1 ALA A 61 2.060 -0.374 -6.052 1.00 0.00 H new ATOM 0 HB2 ALA A 61 1.199 0.841 -5.077 1.00 0.00 H new ATOM 0 HB3 ALA A 61 0.462 0.214 -6.571 1.00 0.00 H new ATOM 905 N ALA A 62 3.325 0.136 -8.351 1.00 0.00 N ATOM 906 CA ALA A 62 3.753 -0.423 -9.627 1.00 0.00 C ATOM 907 C ALA A 62 4.226 -1.863 -9.465 1.00 0.00 C ATOM 908 O ALA A 62 4.898 -2.201 -8.490 1.00 0.00 O ATOM 909 CB ALA A 62 4.856 0.432 -10.234 1.00 0.00 C ATOM 0 H ALA A 62 3.769 -0.286 -7.535 1.00 0.00 H new ATOM 0 HA ALA A 62 2.896 -0.424 -10.301 1.00 0.00 H new ATOM 0 HB1 ALA A 62 5.166 0.003 -11.187 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.485 1.444 -10.395 1.00 0.00 H new ATOM 0 HB3 ALA A 62 5.708 0.462 -9.555 1.00 0.00 H new ATOM 915 N VAL A 63 3.871 -2.710 -10.426 1.00 0.00 N ATOM 916 CA VAL A 63 4.260 -4.114 -10.390 1.00 0.00 C ATOM 917 C VAL A 63 4.705 -4.597 -11.766 1.00 0.00 C ATOM 918 O VAL A 63 4.260 -4.099 -12.800 1.00 0.00 O ATOM 919 CB VAL A 63 3.104 -5.004 -9.895 1.00 0.00 C ATOM 920 CG1 VAL A 63 2.590 -4.513 -8.550 1.00 0.00 C ATOM 921 CG2 VAL A 63 1.983 -5.040 -10.922 1.00 0.00 C ATOM 0 H VAL A 63 3.314 -2.448 -11.239 1.00 0.00 H new ATOM 0 HA VAL A 63 5.094 -4.193 -9.693 1.00 0.00 H new ATOM 0 HB VAL A 63 3.480 -6.019 -9.765 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.774 -5.154 -8.216 1.00 0.00 H new ATOM 0 HG12 VAL A 63 3.398 -4.544 -7.819 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.230 -3.489 -8.650 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.175 -5.673 -10.556 1.00 0.00 H new ATOM 0 HG22 VAL A 63 1.607 -4.030 -11.086 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.363 -5.443 -11.861 1.00 0.00 H new ATOM 931 N PRO A 64 5.605 -5.592 -11.782 1.00 0.00 N ATOM 932 CA PRO A 64 6.129 -6.165 -13.024 1.00 0.00 C ATOM 933 C PRO A 64 5.079 -6.972 -13.779 1.00 0.00 C ATOM 934 O PRO A 64 4.176 -7.554 -13.177 1.00 0.00 O ATOM 935 CB PRO A 64 7.261 -7.077 -12.544 1.00 0.00 C ATOM 936 CG PRO A 64 6.893 -7.433 -11.145 1.00 0.00 C ATOM 937 CD PRO A 64 6.179 -6.233 -10.587 1.00 0.00 C ATOM 0 HA PRO A 64 6.452 -5.394 -13.724 1.00 0.00 H new ATOM 0 HB2 PRO A 64 7.346 -7.966 -13.169 1.00 0.00 H new ATOM 0 HB3 PRO A 64 8.224 -6.567 -12.583 1.00 0.00 H new ATOM 0 HG2 PRO A 64 6.252 -8.314 -11.122 1.00 0.00 H new ATOM 0 HG3 PRO A 64 7.779 -7.669 -10.556 1.00 0.00 H new ATOM 0 HD2 PRO A 64 5.406 -6.521 -9.875 1.00 0.00 H new ATOM 0 HD3 PRO A 64 6.863 -5.566 -10.063 1.00 0.00 H new ATOM 945 N LYS A 65 5.202 -7.004 -15.102 1.00 0.00 N ATOM 946 CA LYS A 65 4.264 -7.742 -15.940 1.00 0.00 C ATOM 947 C LYS A 65 3.917 -9.088 -15.314 1.00 0.00 C ATOM 948 O LYS A 65 2.754 -9.491 -15.290 1.00 0.00 O ATOM 949 CB LYS A 65 4.854 -7.954 -17.336 1.00 0.00 C ATOM 950 CG LYS A 65 3.825 -8.364 -18.376 1.00 0.00 C ATOM 951 CD LYS A 65 3.572 -9.862 -18.350 1.00 0.00 C ATOM 952 CE LYS A 65 2.372 -10.239 -19.205 1.00 0.00 C ATOM 953 NZ LYS A 65 2.404 -11.674 -19.603 1.00 0.00 N ATOM 0 H LYS A 65 5.942 -6.527 -15.617 1.00 0.00 H new ATOM 0 HA LYS A 65 3.350 -7.154 -16.023 1.00 0.00 H new ATOM 0 HB2 LYS A 65 5.339 -7.033 -17.660 1.00 0.00 H new ATOM 0 HB3 LYS A 65 5.628 -8.719 -17.282 1.00 0.00 H new ATOM 0 HG2 LYS A 65 2.891 -7.833 -18.194 1.00 0.00 H new ATOM 0 HG3 LYS A 65 4.171 -8.070 -19.367 1.00 0.00 H new ATOM 0 HD2 LYS A 65 4.456 -10.388 -18.710 1.00 0.00 H new ATOM 0 HD3 LYS A 65 3.405 -10.186 -17.323 1.00 0.00 H new ATOM 0 HE2 LYS A 65 1.454 -10.035 -18.653 1.00 0.00 H new ATOM 0 HE3 LYS A 65 2.352 -9.615 -20.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 1.570 -11.892 -20.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 3.267 -11.863 -20.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 2.398 -12.271 -18.751 1.00 0.00 H new ATOM 967 N SER A 66 4.932 -9.779 -14.806 1.00 0.00 N ATOM 968 CA SER A 66 4.734 -11.082 -14.181 1.00 0.00 C ATOM 969 C SER A 66 3.492 -11.076 -13.295 1.00 0.00 C ATOM 970 O SER A 66 2.652 -11.973 -13.378 1.00 0.00 O ATOM 971 CB SER A 66 5.962 -11.466 -13.353 1.00 0.00 C ATOM 972 OG SER A 66 6.196 -10.525 -12.321 1.00 0.00 O ATOM 0 H SER A 66 5.900 -9.458 -14.815 1.00 0.00 H new ATOM 0 HA SER A 66 4.592 -11.819 -14.972 1.00 0.00 H new ATOM 0 HB2 SER A 66 5.818 -12.456 -12.921 1.00 0.00 H new ATOM 0 HB3 SER A 66 6.837 -11.525 -14.000 1.00 0.00 H new ATOM 0 HG SER A 66 7.008 -10.014 -12.522 1.00 0.00 H new ATOM 978 N LEU A 67 3.382 -10.059 -12.448 1.00 0.00 N ATOM 979 CA LEU A 67 2.242 -9.934 -11.546 1.00 0.00 C ATOM 980 C LEU A 67 1.296 -8.832 -12.013 1.00 0.00 C ATOM 981 O LEU A 67 1.665 -7.989 -12.830 1.00 0.00 O ATOM 982 CB LEU A 67 2.722 -9.641 -10.124 1.00 0.00 C ATOM 983 CG LEU A 67 3.930 -10.447 -9.644 1.00 0.00 C ATOM 984 CD1 LEU A 67 4.559 -9.790 -8.424 1.00 0.00 C ATOM 985 CD2 LEU A 67 3.525 -11.880 -9.331 1.00 0.00 C ATOM 0 H LEU A 67 4.068 -9.309 -12.367 1.00 0.00 H new ATOM 0 HA LEU A 67 1.700 -10.879 -11.552 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.967 -8.581 -10.056 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.894 -9.821 -9.438 1.00 0.00 H new ATOM 0 HG LEU A 67 4.671 -10.467 -10.443 1.00 0.00 H new ATOM 0 HD11 LEU A 67 5.417 -10.377 -8.096 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.886 -8.782 -8.681 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.825 -9.739 -7.619 1.00 0.00 H new ATOM 0 HD21 LEU A 67 4.397 -12.439 -8.991 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.766 -11.881 -8.549 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.122 -12.348 -10.229 1.00 0.00 H new ATOM 997 N GLN A 68 0.075 -8.845 -11.486 1.00 0.00 N ATOM 998 CA GLN A 68 -0.923 -7.846 -11.848 1.00 0.00 C ATOM 999 C GLN A 68 -1.166 -6.877 -10.696 1.00 0.00 C ATOM 1000 O GLN A 68 -0.807 -7.155 -9.551 1.00 0.00 O ATOM 1001 CB GLN A 68 -2.235 -8.525 -12.245 1.00 0.00 C ATOM 1002 CG GLN A 68 -3.045 -7.737 -13.262 1.00 0.00 C ATOM 1003 CD GLN A 68 -4.326 -8.442 -13.660 1.00 0.00 C ATOM 1004 OE1 GLN A 68 -5.401 -8.143 -13.138 1.00 0.00 O ATOM 1005 NE2 GLN A 68 -4.220 -9.386 -14.588 1.00 0.00 N ATOM 0 H GLN A 68 -0.246 -9.536 -10.808 1.00 0.00 H new ATOM 0 HA GLN A 68 -0.543 -7.281 -12.699 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -2.015 -9.511 -12.654 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -2.840 -8.678 -11.351 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -3.287 -6.758 -12.848 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -2.438 -7.566 -14.151 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -3.310 -9.602 -14.994 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -5.049 -9.895 -14.895 1.00 0.00 H new ATOM 1014 N LEU A 69 -1.776 -5.738 -11.006 1.00 0.00 N ATOM 1015 CA LEU A 69 -2.067 -4.727 -9.996 1.00 0.00 C ATOM 1016 C LEU A 69 -3.403 -4.046 -10.276 1.00 0.00 C ATOM 1017 O LEU A 69 -3.699 -3.684 -11.414 1.00 0.00 O ATOM 1018 CB LEU A 69 -0.949 -3.683 -9.954 1.00 0.00 C ATOM 1019 CG LEU A 69 -1.127 -2.549 -8.944 1.00 0.00 C ATOM 1020 CD1 LEU A 69 -0.789 -3.027 -7.540 1.00 0.00 C ATOM 1021 CD2 LEU A 69 -0.264 -1.355 -9.325 1.00 0.00 C ATOM 0 H LEU A 69 -2.078 -5.492 -11.948 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.129 -5.224 -9.028 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.011 -4.193 -9.736 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.850 -3.246 -10.947 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.171 -2.236 -8.958 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.921 -2.207 -6.835 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.449 -3.850 -7.267 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.246 -3.367 -7.511 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.403 -0.558 -8.595 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.784 -1.654 -9.340 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.554 -0.997 -10.313 1.00 0.00 H new ATOM 1033 N GLN A 70 -4.204 -3.874 -9.229 1.00 0.00 N ATOM 1034 CA GLN A 70 -5.508 -3.235 -9.363 1.00 0.00 C ATOM 1035 C GLN A 70 -5.712 -2.182 -8.279 1.00 0.00 C ATOM 1036 O GLN A 70 -5.748 -2.500 -7.089 1.00 0.00 O ATOM 1037 CB GLN A 70 -6.621 -4.282 -9.290 1.00 0.00 C ATOM 1038 CG GLN A 70 -8.012 -3.705 -9.499 1.00 0.00 C ATOM 1039 CD GLN A 70 -8.232 -3.207 -10.914 1.00 0.00 C ATOM 1040 OE1 GLN A 70 -8.032 -2.028 -11.208 1.00 0.00 O ATOM 1041 NE2 GLN A 70 -8.645 -4.106 -11.800 1.00 0.00 N ATOM 0 H GLN A 70 -3.973 -4.168 -8.280 1.00 0.00 H new ATOM 0 HA GLN A 70 -5.546 -2.742 -10.334 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -6.438 -5.049 -10.043 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -6.583 -4.774 -8.318 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -8.756 -4.467 -9.267 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -8.169 -2.883 -8.800 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -8.798 -5.073 -11.512 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -8.809 -3.830 -12.768 1.00 0.00 H new ATOM 1050 N LEU A 71 -5.845 -0.928 -8.697 1.00 0.00 N ATOM 1051 CA LEU A 71 -6.046 0.173 -7.761 1.00 0.00 C ATOM 1052 C LEU A 71 -7.529 0.382 -7.476 1.00 0.00 C ATOM 1053 O LEU A 71 -8.276 0.849 -8.336 1.00 0.00 O ATOM 1054 CB LEU A 71 -5.435 1.460 -8.319 1.00 0.00 C ATOM 1055 CG LEU A 71 -5.237 2.598 -7.317 1.00 0.00 C ATOM 1056 CD1 LEU A 71 -4.126 3.528 -7.779 1.00 0.00 C ATOM 1057 CD2 LEU A 71 -6.534 3.368 -7.122 1.00 0.00 C ATOM 0 H LEU A 71 -5.817 -0.648 -9.677 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.548 -0.082 -6.825 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.468 1.218 -8.760 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -6.072 1.821 -9.127 1.00 0.00 H new ATOM 0 HG LEU A 71 -4.947 2.167 -6.359 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.999 4.332 -7.054 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.195 2.968 -7.866 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -4.386 3.952 -8.749 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.374 4.174 -6.406 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.855 3.788 -8.075 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.304 2.695 -6.745 1.00 0.00 H new ATOM 1069 N GLN A 72 -7.948 0.035 -6.263 1.00 0.00 N ATOM 1070 CA GLN A 72 -9.343 0.187 -5.865 1.00 0.00 C ATOM 1071 C GLN A 72 -9.607 1.590 -5.329 1.00 0.00 C ATOM 1072 O GLN A 72 -8.693 2.266 -4.858 1.00 0.00 O ATOM 1073 CB GLN A 72 -9.709 -0.854 -4.805 1.00 0.00 C ATOM 1074 CG GLN A 72 -11.188 -1.202 -4.779 1.00 0.00 C ATOM 1075 CD GLN A 72 -11.667 -1.612 -3.400 1.00 0.00 C ATOM 1076 OE1 GLN A 72 -12.329 -2.638 -3.240 1.00 0.00 O ATOM 1077 NE2 GLN A 72 -11.333 -0.811 -2.395 1.00 0.00 N ATOM 0 H GLN A 72 -7.342 -0.353 -5.540 1.00 0.00 H new ATOM 0 HA GLN A 72 -9.965 0.032 -6.747 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -9.134 -1.762 -4.986 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -9.415 -0.480 -3.824 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -11.766 -0.343 -5.119 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -11.379 -2.013 -5.482 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -10.783 0.029 -2.574 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -11.626 -1.036 -1.444 1.00 0.00 H new ATOM 1086 N ALA A 73 -10.861 2.021 -5.406 1.00 0.00 N ATOM 1087 CA ALA A 73 -11.245 3.343 -4.928 1.00 0.00 C ATOM 1088 C ALA A 73 -11.058 3.457 -3.419 1.00 0.00 C ATOM 1089 O ALA A 73 -11.469 2.586 -2.651 1.00 0.00 O ATOM 1090 CB ALA A 73 -12.688 3.643 -5.306 1.00 0.00 C ATOM 0 H ALA A 73 -11.629 1.474 -5.795 1.00 0.00 H new ATOM 0 HA ALA A 73 -10.596 4.077 -5.405 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -12.961 4.634 -4.942 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -12.794 3.613 -6.390 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -13.344 2.898 -4.856 1.00 0.00 H new ATOM 1096 N PRO A 74 -10.422 4.554 -2.981 1.00 0.00 N ATOM 1097 CA PRO A 74 -10.166 4.806 -1.560 1.00 0.00 C ATOM 1098 C PRO A 74 -11.443 5.119 -0.787 1.00 0.00 C ATOM 1099 O PRO A 74 -12.543 5.048 -1.334 1.00 0.00 O ATOM 1100 CB PRO A 74 -9.240 6.025 -1.578 1.00 0.00 C ATOM 1101 CG PRO A 74 -9.548 6.716 -2.861 1.00 0.00 C ATOM 1102 CD PRO A 74 -9.905 5.632 -3.840 1.00 0.00 C ATOM 0 HA PRO A 74 -9.739 3.936 -1.062 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -9.426 6.676 -0.723 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -8.193 5.727 -1.530 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -10.373 7.418 -2.738 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -8.690 7.290 -3.211 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -10.654 5.969 -4.557 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -9.037 5.307 -4.414 1.00 0.00 H new ATOM 1110 N SER A 75 -11.288 5.465 0.487 1.00 0.00 N ATOM 1111 CA SER A 75 -12.430 5.785 1.336 1.00 0.00 C ATOM 1112 C SER A 75 -12.592 7.295 1.482 1.00 0.00 C ATOM 1113 O SER A 75 -13.695 7.795 1.696 1.00 0.00 O ATOM 1114 CB SER A 75 -12.263 5.143 2.714 1.00 0.00 C ATOM 1115 OG SER A 75 -13.330 5.500 3.576 1.00 0.00 O ATOM 0 H SER A 75 -10.384 5.531 0.954 1.00 0.00 H new ATOM 0 HA SER A 75 -13.327 5.385 0.863 1.00 0.00 H new ATOM 0 HB2 SER A 75 -12.222 4.059 2.611 1.00 0.00 H new ATOM 0 HB3 SER A 75 -11.316 5.458 3.153 1.00 0.00 H new ATOM 0 HG SER A 75 -13.201 5.076 4.450 1.00 0.00 H new ATOM 1121 N GLY A 76 -11.481 8.017 1.364 1.00 0.00 N ATOM 1122 CA GLY A 76 -11.520 9.463 1.485 1.00 0.00 C ATOM 1123 C GLY A 76 -10.139 10.086 1.443 1.00 0.00 C ATOM 1124 O GLY A 76 -9.274 9.749 2.250 1.00 0.00 O ATOM 0 H GLY A 76 -10.556 7.626 1.187 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -12.126 9.876 0.678 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -12.009 9.733 2.421 1.00 0.00 H new ATOM 1128 N ASN A 77 -9.931 10.996 0.497 1.00 0.00 N ATOM 1129 CA ASN A 77 -8.643 11.666 0.351 1.00 0.00 C ATOM 1130 C ASN A 77 -8.458 12.728 1.431 1.00 0.00 C ATOM 1131 O ASN A 77 -8.095 13.869 1.140 1.00 0.00 O ATOM 1132 CB ASN A 77 -8.532 12.305 -1.034 1.00 0.00 C ATOM 1133 CG ASN A 77 -8.737 11.302 -2.152 1.00 0.00 C ATOM 1134 OD1 ASN A 77 -9.556 10.389 -2.040 1.00 0.00 O ATOM 1135 ND2 ASN A 77 -7.993 11.467 -3.239 1.00 0.00 N ATOM 0 H ASN A 77 -10.637 11.286 -0.180 1.00 0.00 H new ATOM 0 HA ASN A 77 -7.857 10.919 0.463 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -9.271 13.101 -1.124 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -7.551 12.768 -1.140 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -8.088 10.823 -4.024 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -7.327 12.238 -3.289 1.00 0.00 H new ATOM 1142 N THR A 78 -8.707 12.345 2.679 1.00 0.00 N ATOM 1143 CA THR A 78 -8.568 13.264 3.802 1.00 0.00 C ATOM 1144 C THR A 78 -8.295 12.510 5.099 1.00 0.00 C ATOM 1145 O THR A 78 -8.991 11.549 5.429 1.00 0.00 O ATOM 1146 CB THR A 78 -9.831 14.128 3.981 1.00 0.00 C ATOM 1147 OG1 THR A 78 -10.042 14.934 2.816 1.00 0.00 O ATOM 1148 CG2 THR A 78 -9.707 15.021 5.206 1.00 0.00 C ATOM 0 H THR A 78 -9.006 11.405 2.938 1.00 0.00 H new ATOM 0 HA THR A 78 -7.722 13.913 3.576 1.00 0.00 H new ATOM 0 HB THR A 78 -10.683 13.463 4.121 1.00 0.00 H new ATOM 0 HG1 THR A 78 -10.847 15.479 2.937 1.00 0.00 H new ATOM 0 HG21 THR A 78 -10.611 15.621 5.312 1.00 0.00 H new ATOM 0 HG22 THR A 78 -9.576 14.404 6.095 1.00 0.00 H new ATOM 0 HG23 THR A 78 -8.846 15.679 5.091 1.00 0.00 H new ATOM 1156 N VAL A 79 -7.277 12.950 5.831 1.00 0.00 N ATOM 1157 CA VAL A 79 -6.913 12.318 7.093 1.00 0.00 C ATOM 1158 C VAL A 79 -6.930 13.325 8.238 1.00 0.00 C ATOM 1159 O VAL A 79 -6.335 14.400 8.161 1.00 0.00 O ATOM 1160 CB VAL A 79 -5.518 11.671 7.015 1.00 0.00 C ATOM 1161 CG1 VAL A 79 -5.178 10.972 8.323 1.00 0.00 C ATOM 1162 CG2 VAL A 79 -5.447 10.698 5.847 1.00 0.00 C ATOM 0 H VAL A 79 -6.689 13.742 5.571 1.00 0.00 H new ATOM 0 HA VAL A 79 -7.655 11.543 7.284 1.00 0.00 H new ATOM 0 HB VAL A 79 -4.781 12.457 6.850 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -4.188 10.521 8.248 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -5.185 11.698 9.136 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -5.916 10.196 8.523 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -4.454 10.250 5.807 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -6.194 9.915 5.980 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -5.642 11.231 4.917 1.00 0.00 H new ATOM 1172 N PRO A 80 -7.629 12.971 9.327 1.00 0.00 N ATOM 1173 CA PRO A 80 -7.740 13.829 10.510 1.00 0.00 C ATOM 1174 C PRO A 80 -6.423 13.942 11.270 1.00 0.00 C ATOM 1175 O PRO A 80 -5.737 12.944 11.493 1.00 0.00 O ATOM 1176 CB PRO A 80 -8.793 13.120 11.365 1.00 0.00 C ATOM 1177 CG PRO A 80 -8.720 11.692 10.948 1.00 0.00 C ATOM 1178 CD PRO A 80 -8.363 11.705 9.487 1.00 0.00 C ATOM 0 HA PRO A 80 -8.004 14.853 10.247 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -8.581 13.233 12.428 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -9.787 13.533 11.192 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -7.970 11.154 11.528 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -9.672 11.188 11.113 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -7.748 10.847 9.216 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -9.251 11.673 8.856 1.00 0.00 H new ATOM 1186 N ALA A 81 -6.076 15.162 11.667 1.00 0.00 N ATOM 1187 CA ALA A 81 -4.842 15.403 12.405 1.00 0.00 C ATOM 1188 C ALA A 81 -5.010 15.061 13.881 1.00 0.00 C ATOM 1189 O ALA A 81 -4.076 15.203 14.671 1.00 0.00 O ATOM 1190 CB ALA A 81 -4.405 16.852 12.243 1.00 0.00 C ATOM 0 H ALA A 81 -6.632 15.999 11.490 1.00 0.00 H new ATOM 0 HA ALA A 81 -4.069 14.754 11.994 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -3.482 17.018 12.799 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -4.236 17.065 11.188 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -5.183 17.512 12.626 1.00 0.00 H new ATOM 1196 N ARG A 82 -6.206 14.611 14.247 1.00 0.00 N ATOM 1197 CA ARG A 82 -6.496 14.251 15.630 1.00 0.00 C ATOM 1198 C ARG A 82 -6.682 12.743 15.771 1.00 0.00 C ATOM 1199 O ARG A 82 -7.664 12.280 16.352 1.00 0.00 O ATOM 1200 CB ARG A 82 -7.750 14.979 16.117 1.00 0.00 C ATOM 1201 CG ARG A 82 -7.563 16.479 16.272 1.00 0.00 C ATOM 1202 CD ARG A 82 -7.712 17.200 14.941 1.00 0.00 C ATOM 1203 NE ARG A 82 -7.728 18.651 15.104 1.00 0.00 N ATOM 1204 CZ ARG A 82 -6.634 19.382 15.285 1.00 0.00 C ATOM 1205 NH1 ARG A 82 -5.443 18.801 15.326 1.00 0.00 N ATOM 1206 NH2 ARG A 82 -6.729 20.698 15.425 1.00 0.00 N ATOM 0 H ARG A 82 -6.989 14.487 13.606 1.00 0.00 H new ATOM 0 HA ARG A 82 -5.648 14.554 16.244 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -8.563 14.794 15.415 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -8.054 14.559 17.075 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -8.295 16.867 16.981 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -6.577 16.683 16.689 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -6.891 16.918 14.282 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -8.634 16.879 14.456 1.00 0.00 H new ATOM 0 HE ARG A 82 -8.629 19.129 15.077 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -5.365 17.790 15.218 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -4.605 19.365 15.465 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -7.643 21.150 15.394 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -5.888 21.258 15.564 1.00 0.00 H new ATOM 1220 N GLY A 83 -5.733 11.982 15.236 1.00 0.00 N ATOM 1221 CA GLY A 83 -5.812 10.535 15.312 1.00 0.00 C ATOM 1222 C GLY A 83 -7.224 10.019 15.115 1.00 0.00 C ATOM 1223 O GLY A 83 -7.769 9.336 15.980 1.00 0.00 O ATOM 0 H GLY A 83 -4.911 12.341 14.751 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -5.160 10.099 14.555 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -5.440 10.205 16.282 1.00 0.00 H new ATOM 1227 N GLY A 84 -7.818 10.350 13.972 1.00 0.00 N ATOM 1228 CA GLY A 84 -9.171 9.909 13.686 1.00 0.00 C ATOM 1229 C GLY A 84 -9.209 8.539 13.039 1.00 0.00 C ATOM 1230 O GLY A 84 -8.850 7.539 13.662 1.00 0.00 O ATOM 0 H GLY A 84 -7.387 10.915 13.240 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -9.746 9.886 14.612 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -9.654 10.632 13.028 1.00 0.00 H new ATOM 1234 N LEU A 85 -9.647 8.490 11.785 1.00 0.00 N ATOM 1235 CA LEU A 85 -9.733 7.232 11.053 1.00 0.00 C ATOM 1236 C LEU A 85 -8.795 7.236 9.850 1.00 0.00 C ATOM 1237 O LEU A 85 -8.886 8.087 8.965 1.00 0.00 O ATOM 1238 CB LEU A 85 -11.171 6.984 10.593 1.00 0.00 C ATOM 1239 CG LEU A 85 -12.250 7.101 11.670 1.00 0.00 C ATOM 1240 CD1 LEU A 85 -12.566 8.561 11.952 1.00 0.00 C ATOM 1241 CD2 LEU A 85 -13.506 6.352 11.249 1.00 0.00 C ATOM 0 H LEU A 85 -9.948 9.308 11.255 1.00 0.00 H new ATOM 0 HA LEU A 85 -9.429 6.428 11.724 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -11.403 7.691 9.796 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -11.225 5.985 10.159 1.00 0.00 H new ATOM 0 HG LEU A 85 -11.872 6.649 12.587 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -13.336 8.625 12.721 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -11.665 9.068 12.298 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -12.924 9.039 11.040 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -14.264 6.446 12.027 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -13.887 6.774 10.319 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -13.268 5.299 11.099 1.00 0.00 H new ATOM 1253 N PRO A 86 -7.874 6.263 9.814 1.00 0.00 N ATOM 1254 CA PRO A 86 -6.903 6.131 8.723 1.00 0.00 C ATOM 1255 C PRO A 86 -7.556 5.696 7.416 1.00 0.00 C ATOM 1256 O PRO A 86 -8.657 5.144 7.415 1.00 0.00 O ATOM 1257 CB PRO A 86 -5.946 5.049 9.229 1.00 0.00 C ATOM 1258 CG PRO A 86 -6.753 4.248 10.191 1.00 0.00 C ATOM 1259 CD PRO A 86 -7.708 5.215 10.835 1.00 0.00 C ATOM 0 HA PRO A 86 -6.415 7.078 8.495 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -5.579 4.431 8.410 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -5.073 5.487 9.713 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -7.291 3.450 9.679 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -6.115 3.775 10.937 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -8.657 4.739 11.080 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -7.305 5.619 11.764 1.00 0.00 H new ATOM 1267 N ILE A 87 -6.871 5.946 6.305 1.00 0.00 N ATOM 1268 CA ILE A 87 -7.385 5.578 4.992 1.00 0.00 C ATOM 1269 C ILE A 87 -6.839 4.226 4.547 1.00 0.00 C ATOM 1270 O ILE A 87 -5.632 3.984 4.595 1.00 0.00 O ATOM 1271 CB ILE A 87 -7.028 6.637 3.931 1.00 0.00 C ATOM 1272 CG1 ILE A 87 -7.738 7.957 4.238 1.00 0.00 C ATOM 1273 CG2 ILE A 87 -7.400 6.140 2.542 1.00 0.00 C ATOM 1274 CD1 ILE A 87 -6.985 9.175 3.751 1.00 0.00 C ATOM 0 H ILE A 87 -5.959 6.402 6.288 1.00 0.00 H new ATOM 0 HA ILE A 87 -8.469 5.517 5.083 1.00 0.00 H new ATOM 0 HB ILE A 87 -5.952 6.810 3.958 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -8.727 7.944 3.779 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -7.887 8.038 5.315 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -7.142 6.899 1.803 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -6.854 5.222 2.326 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -8.471 5.943 2.501 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -7.547 10.075 4.003 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -6.006 9.213 4.229 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -6.859 9.117 2.670 1.00 0.00 H new ATOM 1286 N THR A 88 -7.736 3.345 4.113 1.00 0.00 N ATOM 1287 CA THR A 88 -7.345 2.017 3.659 1.00 0.00 C ATOM 1288 C THR A 88 -7.717 1.804 2.196 1.00 0.00 C ATOM 1289 O THR A 88 -8.740 2.304 1.728 1.00 0.00 O ATOM 1290 CB THR A 88 -8.005 0.916 4.510 1.00 0.00 C ATOM 1291 OG1 THR A 88 -9.428 1.075 4.500 1.00 0.00 O ATOM 1292 CG2 THR A 88 -7.495 0.960 5.942 1.00 0.00 C ATOM 0 H THR A 88 -8.738 3.528 4.067 1.00 0.00 H new ATOM 0 HA THR A 88 -6.263 1.952 3.769 1.00 0.00 H new ATOM 0 HB THR A 88 -7.745 -0.050 4.078 1.00 0.00 H new ATOM 0 HG1 THR A 88 -9.840 0.370 5.042 1.00 0.00 H new ATOM 0 HG21 THR A 88 -7.975 0.173 6.524 1.00 0.00 H new ATOM 0 HG22 THR A 88 -6.416 0.809 5.949 1.00 0.00 H new ATOM 0 HG23 THR A 88 -7.728 1.930 6.382 1.00 0.00 H new ATOM 1300 N GLN A 89 -6.881 1.060 1.480 1.00 0.00 N ATOM 1301 CA GLN A 89 -7.124 0.781 0.069 1.00 0.00 C ATOM 1302 C GLN A 89 -6.992 -0.710 -0.222 1.00 0.00 C ATOM 1303 O GLN A 89 -6.560 -1.484 0.633 1.00 0.00 O ATOM 1304 CB GLN A 89 -6.148 1.572 -0.804 1.00 0.00 C ATOM 1305 CG GLN A 89 -6.644 2.963 -1.165 1.00 0.00 C ATOM 1306 CD GLN A 89 -5.919 3.548 -2.361 1.00 0.00 C ATOM 1307 OE1 GLN A 89 -4.749 3.921 -2.270 1.00 0.00 O ATOM 1308 NE2 GLN A 89 -6.612 3.632 -3.491 1.00 0.00 N ATOM 0 H GLN A 89 -6.030 0.640 1.853 1.00 0.00 H new ATOM 0 HA GLN A 89 -8.143 1.089 -0.166 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -5.195 1.659 -0.282 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -5.959 1.014 -1.721 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -7.712 2.920 -1.378 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -6.516 3.624 -0.308 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -7.580 3.311 -3.521 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -6.177 4.018 -4.329 1.00 0.00 H new ATOM 1317 N LEU A 90 -7.367 -1.106 -1.434 1.00 0.00 N ATOM 1318 CA LEU A 90 -7.291 -2.506 -1.838 1.00 0.00 C ATOM 1319 C LEU A 90 -6.467 -2.660 -3.113 1.00 0.00 C ATOM 1320 O LEU A 90 -6.563 -1.843 -4.029 1.00 0.00 O ATOM 1321 CB LEU A 90 -8.695 -3.072 -2.054 1.00 0.00 C ATOM 1322 CG LEU A 90 -8.784 -4.344 -2.897 1.00 0.00 C ATOM 1323 CD1 LEU A 90 -8.083 -5.498 -2.198 1.00 0.00 C ATOM 1324 CD2 LEU A 90 -10.237 -4.694 -3.183 1.00 0.00 C ATOM 0 H LEU A 90 -7.726 -0.478 -2.153 1.00 0.00 H new ATOM 0 HA LEU A 90 -6.800 -3.063 -1.040 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -9.137 -3.275 -1.079 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -9.306 -2.303 -2.527 1.00 0.00 H new ATOM 0 HG LEU A 90 -8.281 -4.163 -3.847 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -8.157 -6.395 -2.813 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -7.033 -5.248 -2.046 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -8.556 -5.680 -1.233 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -10.281 -5.602 -3.784 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -10.764 -4.855 -2.243 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -10.708 -3.875 -3.727 1.00 0.00 H new ATOM 1336 N PHE A 91 -5.659 -3.714 -3.165 1.00 0.00 N ATOM 1337 CA PHE A 91 -4.820 -3.977 -4.328 1.00 0.00 C ATOM 1338 C PHE A 91 -4.793 -5.467 -4.654 1.00 0.00 C ATOM 1339 O PHE A 91 -4.291 -6.276 -3.873 1.00 0.00 O ATOM 1340 CB PHE A 91 -3.397 -3.472 -4.080 1.00 0.00 C ATOM 1341 CG PHE A 91 -3.329 -2.009 -3.747 1.00 0.00 C ATOM 1342 CD1 PHE A 91 -3.681 -1.556 -2.486 1.00 0.00 C ATOM 1343 CD2 PHE A 91 -2.913 -1.088 -4.694 1.00 0.00 C ATOM 1344 CE1 PHE A 91 -3.620 -0.210 -2.176 1.00 0.00 C ATOM 1345 CE2 PHE A 91 -2.850 0.259 -4.390 1.00 0.00 C ATOM 1346 CZ PHE A 91 -3.203 0.698 -3.129 1.00 0.00 C ATOM 0 H PHE A 91 -5.568 -4.400 -2.415 1.00 0.00 H new ATOM 0 HA PHE A 91 -5.245 -3.445 -5.179 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -2.955 -4.043 -3.264 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -2.793 -3.663 -4.967 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -4.007 -2.262 -1.737 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -2.635 -1.426 -5.681 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -3.898 0.131 -1.190 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -2.525 0.967 -5.138 1.00 0.00 H new ATOM 0 HZ PHE A 91 -3.153 1.750 -2.889 1.00 0.00 H new ATOM 1356 N ARG A 92 -5.338 -5.823 -5.813 1.00 0.00 N ATOM 1357 CA ARG A 92 -5.379 -7.215 -6.243 1.00 0.00 C ATOM 1358 C ARG A 92 -4.157 -7.560 -7.089 1.00 0.00 C ATOM 1359 O ARG A 92 -3.916 -6.943 -8.127 1.00 0.00 O ATOM 1360 CB ARG A 92 -6.657 -7.488 -7.038 1.00 0.00 C ATOM 1361 CG ARG A 92 -7.861 -7.805 -6.166 1.00 0.00 C ATOM 1362 CD ARG A 92 -8.904 -8.609 -6.927 1.00 0.00 C ATOM 1363 NE ARG A 92 -9.694 -9.459 -6.040 1.00 0.00 N ATOM 1364 CZ ARG A 92 -10.491 -10.431 -6.471 1.00 0.00 C ATOM 1365 NH1 ARG A 92 -10.601 -10.675 -7.770 1.00 0.00 N ATOM 1366 NH2 ARG A 92 -11.178 -11.161 -5.602 1.00 0.00 N ATOM 0 H ARG A 92 -5.757 -5.166 -6.471 1.00 0.00 H new ATOM 0 HA ARG A 92 -5.372 -7.844 -5.353 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -6.884 -6.618 -7.654 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -6.481 -8.322 -7.717 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -7.538 -8.364 -5.288 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -8.306 -6.877 -5.807 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -9.567 -7.929 -7.462 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -8.409 -9.227 -7.676 1.00 0.00 H new ATOM 0 HE ARG A 92 -9.630 -9.298 -5.035 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -10.073 -10.116 -8.440 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -11.213 -11.422 -8.099 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -11.095 -10.976 -4.602 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -11.790 -11.907 -5.934 1.00 0.00 H new ATOM 1380 N ILE A 93 -3.391 -8.547 -6.638 1.00 0.00 N ATOM 1381 CA ILE A 93 -2.195 -8.972 -7.354 1.00 0.00 C ATOM 1382 C ILE A 93 -2.205 -10.478 -7.595 1.00 0.00 C ATOM 1383 O ILE A 93 -2.605 -11.254 -6.727 1.00 0.00 O ATOM 1384 CB ILE A 93 -0.914 -8.596 -6.585 1.00 0.00 C ATOM 1385 CG1 ILE A 93 -0.816 -7.077 -6.426 1.00 0.00 C ATOM 1386 CG2 ILE A 93 0.313 -9.139 -7.302 1.00 0.00 C ATOM 1387 CD1 ILE A 93 0.071 -6.646 -5.280 1.00 0.00 C ATOM 0 H ILE A 93 -3.577 -9.067 -5.781 1.00 0.00 H new ATOM 0 HA ILE A 93 -2.200 -8.452 -8.312 1.00 0.00 H new ATOM 0 HB ILE A 93 -0.959 -9.044 -5.593 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -0.434 -6.647 -7.352 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -1.816 -6.670 -6.274 1.00 0.00 H new ATOM 0 HG21 ILE A 93 1.210 -8.865 -6.747 1.00 0.00 H new ATOM 0 HG22 ILE A 93 0.245 -10.225 -7.368 1.00 0.00 H new ATOM 0 HG23 ILE A 93 0.365 -8.717 -8.306 1.00 0.00 H new ATOM 0 HD11 ILE A 93 0.094 -5.558 -5.227 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -0.322 -7.047 -4.345 1.00 0.00 H new ATOM 0 HD13 ILE A 93 1.081 -7.023 -5.440 1.00 0.00 H new ATOM 1399 N LEU A 94 -1.762 -10.885 -8.780 1.00 0.00 N ATOM 1400 CA LEU A 94 -1.718 -12.299 -9.136 1.00 0.00 C ATOM 1401 C LEU A 94 -0.286 -12.824 -9.103 1.00 0.00 C ATOM 1402 O LEU A 94 0.618 -12.228 -9.687 1.00 0.00 O ATOM 1403 CB LEU A 94 -2.321 -12.514 -10.525 1.00 0.00 C ATOM 1404 CG LEU A 94 -3.825 -12.782 -10.569 1.00 0.00 C ATOM 1405 CD1 LEU A 94 -4.137 -14.169 -10.029 1.00 0.00 C ATOM 1406 CD2 LEU A 94 -4.580 -11.719 -9.784 1.00 0.00 C ATOM 0 H LEU A 94 -1.428 -10.256 -9.510 1.00 0.00 H new ATOM 0 HA LEU A 94 -2.305 -12.852 -8.403 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -2.111 -11.632 -11.131 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -1.809 -13.353 -10.996 1.00 0.00 H new ATOM 0 HG LEU A 94 -4.152 -12.738 -11.608 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -5.213 -14.341 -10.068 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -3.627 -14.918 -10.634 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -3.795 -14.243 -8.997 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -5.649 -11.926 -9.827 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -4.249 -11.730 -8.745 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -4.383 -10.738 -10.217 1.00 0.00 H new ATOM 1418 N ASN A 95 -0.088 -13.946 -8.417 1.00 0.00 N ATOM 1419 CA ASN A 95 1.233 -14.553 -8.310 1.00 0.00 C ATOM 1420 C ASN A 95 1.171 -16.048 -8.608 1.00 0.00 C ATOM 1421 O ASN A 95 1.750 -16.872 -7.900 1.00 0.00 O ATOM 1422 CB ASN A 95 1.811 -14.324 -6.912 1.00 0.00 C ATOM 1423 CG ASN A 95 3.167 -14.979 -6.732 1.00 0.00 C ATOM 1424 OD1 ASN A 95 4.217 -14.293 -7.168 1.00 0.00 O flip ATOM 1425 ND2 ASN A 95 3.268 -16.088 -6.207 1.00 0.00 N flip ATOM 0 H ASN A 95 -0.826 -14.452 -7.927 1.00 0.00 H new ATOM 0 HA ASN A 95 1.883 -14.080 -9.047 1.00 0.00 H new ATOM 0 HB2 ASN A 95 1.901 -13.253 -6.730 1.00 0.00 H new ATOM 0 HB3 ASN A 95 1.119 -14.717 -6.167 1.00 0.00 H new ATOM 0 HD21 ASN A 95 2.433 -16.579 -5.887 1.00 0.00 H new ATOM 0 HD22 ASN A 95 4.187 -16.516 -6.092 1.00 0.00 H new ATOM 1432 N PRO A 96 0.451 -16.408 -9.681 1.00 0.00 N ATOM 1433 CA PRO A 96 0.297 -17.805 -10.098 1.00 0.00 C ATOM 1434 C PRO A 96 1.592 -18.393 -10.647 1.00 0.00 C ATOM 1435 O PRO A 96 1.769 -19.610 -10.677 1.00 0.00 O ATOM 1436 CB PRO A 96 -0.766 -17.731 -11.197 1.00 0.00 C ATOM 1437 CG PRO A 96 -0.660 -16.346 -11.734 1.00 0.00 C ATOM 1438 CD PRO A 96 -0.266 -15.479 -10.570 1.00 0.00 C ATOM 0 HA PRO A 96 0.024 -18.452 -9.264 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -0.583 -18.472 -11.975 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -1.762 -17.926 -10.798 1.00 0.00 H new ATOM 0 HG2 PRO A 96 0.083 -16.292 -12.530 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -1.608 -16.019 -12.160 1.00 0.00 H new ATOM 0 HD2 PRO A 96 0.370 -14.651 -10.883 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -1.137 -15.045 -10.079 1.00 0.00 H new ATOM 1446 N ASN A 97 2.496 -17.520 -11.081 1.00 0.00 N ATOM 1447 CA ASN A 97 3.775 -17.953 -11.629 1.00 0.00 C ATOM 1448 C ASN A 97 4.768 -18.264 -10.513 1.00 0.00 C ATOM 1449 O ASN A 97 5.913 -18.637 -10.771 1.00 0.00 O ATOM 1450 CB ASN A 97 4.349 -16.876 -12.552 1.00 0.00 C ATOM 1451 CG ASN A 97 3.778 -16.951 -13.955 1.00 0.00 C ATOM 1452 OD1 ASN A 97 4.505 -17.177 -14.922 1.00 0.00 O ATOM 1453 ND2 ASN A 97 2.468 -16.762 -14.071 1.00 0.00 N ATOM 0 H ASN A 97 2.366 -16.509 -11.063 1.00 0.00 H new ATOM 0 HA ASN A 97 3.606 -18.863 -12.205 1.00 0.00 H new ATOM 0 HB2 ASN A 97 4.142 -15.892 -12.131 1.00 0.00 H new ATOM 0 HB3 ASN A 97 5.433 -16.981 -12.598 1.00 0.00 H new ATOM 0 HD21 ASN A 97 2.026 -16.802 -14.990 1.00 0.00 H new ATOM 0 HD22 ASN A 97 1.904 -16.577 -13.241 1.00 0.00 H new ATOM 1460 N LYS A 98 4.322 -18.110 -9.272 1.00 0.00 N ATOM 1461 CA LYS A 98 5.168 -18.376 -8.115 1.00 0.00 C ATOM 1462 C LYS A 98 6.496 -17.633 -8.230 1.00 0.00 C ATOM 1463 O LYS A 98 7.563 -18.220 -8.053 1.00 0.00 O ATOM 1464 CB LYS A 98 5.422 -19.878 -7.978 1.00 0.00 C ATOM 1465 CG LYS A 98 4.270 -20.634 -7.338 1.00 0.00 C ATOM 1466 CD LYS A 98 4.650 -22.073 -7.031 1.00 0.00 C ATOM 1467 CE LYS A 98 3.447 -22.880 -6.567 1.00 0.00 C ATOM 1468 NZ LYS A 98 3.853 -24.138 -5.883 1.00 0.00 N ATOM 0 H LYS A 98 3.378 -17.802 -9.041 1.00 0.00 H new ATOM 0 HA LYS A 98 4.648 -18.019 -7.226 1.00 0.00 H new ATOM 0 HB2 LYS A 98 5.616 -20.297 -8.965 1.00 0.00 H new ATOM 0 HB3 LYS A 98 6.322 -20.033 -7.383 1.00 0.00 H new ATOM 0 HG2 LYS A 98 3.970 -20.132 -6.418 1.00 0.00 H new ATOM 0 HG3 LYS A 98 3.408 -20.619 -8.005 1.00 0.00 H new ATOM 0 HD2 LYS A 98 5.078 -22.535 -7.920 1.00 0.00 H new ATOM 0 HD3 LYS A 98 5.421 -22.091 -6.260 1.00 0.00 H new ATOM 0 HE2 LYS A 98 2.845 -22.276 -5.889 1.00 0.00 H new ATOM 0 HE3 LYS A 98 2.818 -23.120 -7.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 3.005 -24.659 -5.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 4.406 -24.726 -6.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 4.432 -23.909 -5.050 1.00 0.00 H new ATOM 1482 N ALA A 99 6.422 -16.340 -8.526 1.00 0.00 N ATOM 1483 CA ALA A 99 7.617 -15.517 -8.662 1.00 0.00 C ATOM 1484 C ALA A 99 7.588 -14.342 -7.690 1.00 0.00 C ATOM 1485 O ALA A 99 6.874 -13.359 -7.888 1.00 0.00 O ATOM 1486 CB ALA A 99 7.756 -15.018 -10.092 1.00 0.00 C ATOM 0 H ALA A 99 5.546 -15.839 -8.676 1.00 0.00 H new ATOM 0 HA ALA A 99 8.482 -16.134 -8.420 1.00 0.00 H new ATOM 0 HB1 ALA A 99 8.653 -14.405 -10.178 1.00 0.00 H new ATOM 0 HB2 ALA A 99 7.832 -15.869 -10.769 1.00 0.00 H new ATOM 0 HB3 ALA A 99 6.882 -14.422 -10.356 1.00 0.00 H new ATOM 1492 N PRO A 100 8.382 -14.444 -6.613 1.00 0.00 N ATOM 1493 CA PRO A 100 8.464 -13.399 -5.589 1.00 0.00 C ATOM 1494 C PRO A 100 9.155 -12.139 -6.100 1.00 0.00 C ATOM 1495 O PRO A 100 10.371 -11.990 -5.971 1.00 0.00 O ATOM 1496 CB PRO A 100 9.295 -14.052 -4.481 1.00 0.00 C ATOM 1497 CG PRO A 100 10.110 -15.086 -5.179 1.00 0.00 C ATOM 1498 CD PRO A 100 9.260 -15.588 -6.313 1.00 0.00 C ATOM 0 HA PRO A 100 7.477 -13.070 -5.263 1.00 0.00 H new ATOM 0 HB2 PRO A 100 9.929 -13.321 -3.978 1.00 0.00 H new ATOM 0 HB3 PRO A 100 8.657 -14.499 -3.719 1.00 0.00 H new ATOM 0 HG2 PRO A 100 11.044 -14.662 -5.549 1.00 0.00 H new ATOM 0 HG3 PRO A 100 10.375 -15.897 -4.501 1.00 0.00 H new ATOM 0 HD2 PRO A 100 9.865 -15.867 -7.176 1.00 0.00 H new ATOM 0 HD3 PRO A 100 8.687 -16.470 -6.026 1.00 0.00 H new ATOM 1506 N LEU A 101 8.373 -11.236 -6.680 1.00 0.00 N ATOM 1507 CA LEU A 101 8.910 -9.987 -7.211 1.00 0.00 C ATOM 1508 C LEU A 101 8.819 -8.871 -6.176 1.00 0.00 C ATOM 1509 O LEU A 101 8.370 -9.090 -5.050 1.00 0.00 O ATOM 1510 CB LEU A 101 8.157 -9.584 -8.480 1.00 0.00 C ATOM 1511 CG LEU A 101 8.719 -10.125 -9.795 1.00 0.00 C ATOM 1512 CD1 LEU A 101 10.128 -9.604 -10.028 1.00 0.00 C ATOM 1513 CD2 LEU A 101 8.704 -11.647 -9.795 1.00 0.00 C ATOM 0 H LEU A 101 7.365 -11.344 -6.795 1.00 0.00 H new ATOM 0 HA LEU A 101 9.960 -10.146 -7.454 1.00 0.00 H new ATOM 0 HB2 LEU A 101 7.123 -9.916 -8.386 1.00 0.00 H new ATOM 0 HB3 LEU A 101 8.138 -8.496 -8.537 1.00 0.00 H new ATOM 0 HG LEU A 101 8.085 -9.775 -10.610 1.00 0.00 H new ATOM 0 HD11 LEU A 101 10.511 -10.000 -10.969 1.00 0.00 H new ATOM 0 HD12 LEU A 101 10.111 -8.515 -10.073 1.00 0.00 H new ATOM 0 HD13 LEU A 101 10.774 -9.923 -9.210 1.00 0.00 H new ATOM 0 HD21 LEU A 101 9.107 -12.015 -10.738 1.00 0.00 H new ATOM 0 HD22 LEU A 101 9.314 -12.017 -8.971 1.00 0.00 H new ATOM 0 HD23 LEU A 101 7.680 -12.001 -9.676 1.00 0.00 H new ATOM 1525 N ARG A 102 9.245 -7.674 -6.564 1.00 0.00 N ATOM 1526 CA ARG A 102 9.211 -6.523 -5.670 1.00 0.00 C ATOM 1527 C ARG A 102 8.066 -5.583 -6.037 1.00 0.00 C ATOM 1528 O ARG A 102 7.450 -5.721 -7.095 1.00 0.00 O ATOM 1529 CB ARG A 102 10.541 -5.769 -5.723 1.00 0.00 C ATOM 1530 CG ARG A 102 11.747 -6.639 -5.408 1.00 0.00 C ATOM 1531 CD ARG A 102 12.023 -6.687 -3.913 1.00 0.00 C ATOM 1532 NE ARG A 102 12.909 -5.608 -3.485 1.00 0.00 N ATOM 1533 CZ ARG A 102 14.172 -5.493 -3.882 1.00 0.00 C ATOM 1534 NH1 ARG A 102 14.694 -6.386 -4.711 1.00 0.00 N ATOM 1535 NH2 ARG A 102 14.915 -4.483 -3.449 1.00 0.00 N ATOM 0 H ARG A 102 9.618 -7.476 -7.492 1.00 0.00 H new ATOM 0 HA ARG A 102 9.048 -6.887 -4.656 1.00 0.00 H new ATOM 0 HB2 ARG A 102 10.665 -5.337 -6.716 1.00 0.00 H new ATOM 0 HB3 ARG A 102 10.507 -4.940 -5.016 1.00 0.00 H new ATOM 0 HG2 ARG A 102 11.576 -7.649 -5.780 1.00 0.00 H new ATOM 0 HG3 ARG A 102 12.623 -6.252 -5.929 1.00 0.00 H new ATOM 0 HD2 ARG A 102 11.081 -6.620 -3.368 1.00 0.00 H new ATOM 0 HD3 ARG A 102 12.472 -7.647 -3.658 1.00 0.00 H new ATOM 0 HE ARG A 102 12.538 -4.904 -2.847 1.00 0.00 H new ATOM 0 HH11 ARG A 102 14.126 -7.164 -5.046 1.00 0.00 H new ATOM 0 HH12 ARG A 102 15.664 -6.295 -5.014 1.00 0.00 H new ATOM 0 HH21 ARG A 102 14.517 -3.794 -2.811 1.00 0.00 H new ATOM 0 HH22 ARG A 102 15.884 -4.395 -3.754 1.00 0.00 H new ATOM 1549 N LEU A 103 7.785 -4.629 -5.157 1.00 0.00 N ATOM 1550 CA LEU A 103 6.714 -3.666 -5.387 1.00 0.00 C ATOM 1551 C LEU A 103 7.188 -2.245 -5.098 1.00 0.00 C ATOM 1552 O LEU A 103 7.960 -2.014 -4.168 1.00 0.00 O ATOM 1553 CB LEU A 103 5.504 -4.001 -4.514 1.00 0.00 C ATOM 1554 CG LEU A 103 4.438 -2.910 -4.397 1.00 0.00 C ATOM 1555 CD1 LEU A 103 3.485 -2.967 -5.580 1.00 0.00 C ATOM 1556 CD2 LEU A 103 3.675 -3.048 -3.088 1.00 0.00 C ATOM 0 H LEU A 103 8.284 -4.501 -4.277 1.00 0.00 H new ATOM 0 HA LEU A 103 6.424 -3.726 -6.436 1.00 0.00 H new ATOM 0 HB2 LEU A 103 5.033 -4.900 -4.911 1.00 0.00 H new ATOM 0 HB3 LEU A 103 5.860 -4.243 -3.512 1.00 0.00 H new ATOM 0 HG LEU A 103 4.935 -1.940 -4.404 1.00 0.00 H new ATOM 0 HD11 LEU A 103 2.734 -2.184 -5.480 1.00 0.00 H new ATOM 0 HD12 LEU A 103 4.043 -2.818 -6.504 1.00 0.00 H new ATOM 0 HD13 LEU A 103 2.994 -3.940 -5.605 1.00 0.00 H new ATOM 0 HD21 LEU A 103 2.921 -2.264 -3.022 1.00 0.00 H new ATOM 0 HD22 LEU A 103 3.189 -4.023 -3.051 1.00 0.00 H new ATOM 0 HD23 LEU A 103 4.368 -2.956 -2.252 1.00 0.00 H new ATOM 1568 N LYS A 104 6.717 -1.296 -5.900 1.00 0.00 N ATOM 1569 CA LYS A 104 7.089 0.104 -5.729 1.00 0.00 C ATOM 1570 C LYS A 104 5.931 0.907 -5.144 1.00 0.00 C ATOM 1571 O LYS A 104 4.829 0.918 -5.695 1.00 0.00 O ATOM 1572 CB LYS A 104 7.516 0.707 -7.069 1.00 0.00 C ATOM 1573 CG LYS A 104 8.290 2.007 -6.932 1.00 0.00 C ATOM 1574 CD LYS A 104 9.248 2.211 -8.093 1.00 0.00 C ATOM 1575 CE LYS A 104 8.556 2.864 -9.279 1.00 0.00 C ATOM 1576 NZ LYS A 104 7.950 1.856 -10.193 1.00 0.00 N ATOM 0 H LYS A 104 6.077 -1.471 -6.675 1.00 0.00 H new ATOM 0 HA LYS A 104 7.927 0.149 -5.034 1.00 0.00 H new ATOM 0 HB2 LYS A 104 8.130 -0.017 -7.604 1.00 0.00 H new ATOM 0 HB3 LYS A 104 6.629 0.884 -7.677 1.00 0.00 H new ATOM 0 HG2 LYS A 104 7.593 2.843 -6.884 1.00 0.00 H new ATOM 0 HG3 LYS A 104 8.848 2.002 -5.996 1.00 0.00 H new ATOM 0 HD2 LYS A 104 10.084 2.832 -7.771 1.00 0.00 H new ATOM 0 HD3 LYS A 104 9.663 1.250 -8.397 1.00 0.00 H new ATOM 0 HE2 LYS A 104 7.781 3.540 -8.919 1.00 0.00 H new ATOM 0 HE3 LYS A 104 9.275 3.469 -9.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 8.485 1.830 -11.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 7.979 0.918 -9.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 6.962 2.115 -10.390 1.00 0.00 H new ATOM 1590 N LEU A 105 6.187 1.578 -4.026 1.00 0.00 N ATOM 1591 CA LEU A 105 5.166 2.385 -3.367 1.00 0.00 C ATOM 1592 C LEU A 105 5.480 3.872 -3.497 1.00 0.00 C ATOM 1593 O LEU A 105 6.589 4.311 -3.190 1.00 0.00 O ATOM 1594 CB LEU A 105 5.060 2.001 -1.890 1.00 0.00 C ATOM 1595 CG LEU A 105 4.385 0.662 -1.592 1.00 0.00 C ATOM 1596 CD1 LEU A 105 4.594 0.272 -0.137 1.00 0.00 C ATOM 1597 CD2 LEU A 105 2.901 0.727 -1.920 1.00 0.00 C ATOM 0 H LEU A 105 7.093 1.579 -3.557 1.00 0.00 H new ATOM 0 HA LEU A 105 4.211 2.190 -3.856 1.00 0.00 H new ATOM 0 HB2 LEU A 105 6.065 1.981 -1.467 1.00 0.00 H new ATOM 0 HB3 LEU A 105 4.511 2.786 -1.370 1.00 0.00 H new ATOM 0 HG LEU A 105 4.842 -0.101 -2.222 1.00 0.00 H new ATOM 0 HD11 LEU A 105 4.107 -0.684 0.057 1.00 0.00 H new ATOM 0 HD12 LEU A 105 5.661 0.183 0.066 1.00 0.00 H new ATOM 0 HD13 LEU A 105 4.164 1.037 0.510 1.00 0.00 H new ATOM 0 HD21 LEU A 105 2.438 -0.235 -1.701 1.00 0.00 H new ATOM 0 HD22 LEU A 105 2.429 1.503 -1.317 1.00 0.00 H new ATOM 0 HD23 LEU A 105 2.772 0.960 -2.977 1.00 0.00 H new ATOM 1609 N ARG A 106 4.497 4.642 -3.951 1.00 0.00 N ATOM 1610 CA ARG A 106 4.668 6.080 -4.120 1.00 0.00 C ATOM 1611 C ARG A 106 3.694 6.851 -3.234 1.00 0.00 C ATOM 1612 O ARG A 106 2.513 6.513 -3.151 1.00 0.00 O ATOM 1613 CB ARG A 106 4.461 6.471 -5.584 1.00 0.00 C ATOM 1614 CG ARG A 106 4.418 7.973 -5.813 1.00 0.00 C ATOM 1615 CD ARG A 106 4.928 8.340 -7.198 1.00 0.00 C ATOM 1616 NE ARG A 106 3.890 8.208 -8.216 1.00 0.00 N ATOM 1617 CZ ARG A 106 4.128 8.273 -9.522 1.00 0.00 C ATOM 1618 NH1 ARG A 106 5.363 8.466 -9.965 1.00 0.00 N ATOM 1619 NH2 ARG A 106 3.130 8.144 -10.387 1.00 0.00 N ATOM 0 H ARG A 106 3.573 4.294 -4.209 1.00 0.00 H new ATOM 0 HA ARG A 106 5.685 6.337 -3.823 1.00 0.00 H new ATOM 0 HB2 ARG A 106 5.265 6.044 -6.183 1.00 0.00 H new ATOM 0 HB3 ARG A 106 3.530 6.031 -5.941 1.00 0.00 H new ATOM 0 HG2 ARG A 106 3.395 8.331 -5.694 1.00 0.00 H new ATOM 0 HG3 ARG A 106 5.022 8.475 -5.057 1.00 0.00 H new ATOM 0 HD2 ARG A 106 5.298 9.365 -7.188 1.00 0.00 H new ATOM 0 HD3 ARG A 106 5.772 7.699 -7.455 1.00 0.00 H new ATOM 0 HE ARG A 106 2.929 8.058 -7.908 1.00 0.00 H new ATOM 0 HH11 ARG A 106 6.133 8.565 -9.303 1.00 0.00 H new ATOM 0 HH12 ARG A 106 5.543 8.516 -10.968 1.00 0.00 H new ATOM 0 HH21 ARG A 106 2.179 7.995 -10.050 1.00 0.00 H new ATOM 0 HH22 ARG A 106 3.314 8.194 -11.389 1.00 0.00 H new ATOM 1633 N LEU A 107 4.198 7.887 -2.573 1.00 0.00 N ATOM 1634 CA LEU A 107 3.373 8.707 -1.692 1.00 0.00 C ATOM 1635 C LEU A 107 3.439 10.176 -2.096 1.00 0.00 C ATOM 1636 O LEU A 107 4.514 10.707 -2.378 1.00 0.00 O ATOM 1637 CB LEU A 107 3.825 8.545 -0.240 1.00 0.00 C ATOM 1638 CG LEU A 107 3.690 7.142 0.352 1.00 0.00 C ATOM 1639 CD1 LEU A 107 4.101 7.138 1.816 1.00 0.00 C ATOM 1640 CD2 LEU A 107 2.265 6.632 0.195 1.00 0.00 C ATOM 0 H LEU A 107 5.174 8.179 -2.630 1.00 0.00 H new ATOM 0 HA LEU A 107 2.341 8.370 -1.784 1.00 0.00 H new ATOM 0 HB2 LEU A 107 4.870 8.848 -0.170 1.00 0.00 H new ATOM 0 HB3 LEU A 107 3.250 9.235 0.378 1.00 0.00 H new ATOM 0 HG LEU A 107 4.356 6.473 -0.193 1.00 0.00 H new ATOM 0 HD11 LEU A 107 3.998 6.131 2.220 1.00 0.00 H new ATOM 0 HD12 LEU A 107 5.139 7.460 1.903 1.00 0.00 H new ATOM 0 HD13 LEU A 107 3.461 7.820 2.375 1.00 0.00 H new ATOM 0 HD21 LEU A 107 2.187 5.632 0.622 1.00 0.00 H new ATOM 0 HD22 LEU A 107 1.579 7.302 0.714 1.00 0.00 H new ATOM 0 HD23 LEU A 107 2.006 6.596 -0.863 1.00 0.00 H new ATOM 1652 N THR A 108 2.281 10.831 -2.120 1.00 0.00 N ATOM 1653 CA THR A 108 2.207 12.239 -2.488 1.00 0.00 C ATOM 1654 C THR A 108 1.051 12.933 -1.777 1.00 0.00 C ATOM 1655 O THR A 108 -0.115 12.698 -2.093 1.00 0.00 O ATOM 1656 CB THR A 108 2.039 12.414 -4.009 1.00 0.00 C ATOM 1657 OG1 THR A 108 0.975 11.581 -4.484 1.00 0.00 O ATOM 1658 CG2 THR A 108 3.327 12.066 -4.740 1.00 0.00 C ATOM 0 H THR A 108 1.382 10.408 -1.889 1.00 0.00 H new ATOM 0 HA THR A 108 3.147 12.696 -2.179 1.00 0.00 H new ATOM 0 HB THR A 108 1.798 13.458 -4.207 1.00 0.00 H new ATOM 0 HG1 THR A 108 0.274 11.524 -3.801 1.00 0.00 H new ATOM 0 HG21 THR A 108 3.184 12.197 -5.813 1.00 0.00 H new ATOM 0 HG22 THR A 108 4.128 12.722 -4.398 1.00 0.00 H new ATOM 0 HG23 THR A 108 3.594 11.029 -4.534 1.00 0.00 H new ATOM 1666 N TYR A 109 1.381 13.789 -0.817 1.00 0.00 N ATOM 1667 CA TYR A 109 0.370 14.516 -0.060 1.00 0.00 C ATOM 1668 C TYR A 109 0.948 15.798 0.531 1.00 0.00 C ATOM 1669 O TYR A 109 2.163 16.000 0.537 1.00 0.00 O ATOM 1670 CB TYR A 109 -0.193 13.635 1.057 1.00 0.00 C ATOM 1671 CG TYR A 109 0.844 13.207 2.071 1.00 0.00 C ATOM 1672 CD1 TYR A 109 1.328 14.100 3.019 1.00 0.00 C ATOM 1673 CD2 TYR A 109 1.338 11.909 2.082 1.00 0.00 C ATOM 1674 CE1 TYR A 109 2.276 13.713 3.946 1.00 0.00 C ATOM 1675 CE2 TYR A 109 2.285 11.513 3.007 1.00 0.00 C ATOM 1676 CZ TYR A 109 2.751 12.419 3.936 1.00 0.00 C ATOM 1677 OH TYR A 109 3.694 12.029 4.860 1.00 0.00 O ATOM 0 H TYR A 109 2.342 13.997 -0.544 1.00 0.00 H new ATOM 0 HA TYR A 109 -0.436 14.784 -0.744 1.00 0.00 H new ATOM 0 HB2 TYR A 109 -0.988 14.176 1.569 1.00 0.00 H new ATOM 0 HB3 TYR A 109 -0.645 12.747 0.615 1.00 0.00 H new ATOM 0 HD1 TYR A 109 0.957 15.114 3.031 1.00 0.00 H new ATOM 0 HD2 TYR A 109 0.976 11.197 1.355 1.00 0.00 H new ATOM 0 HE1 TYR A 109 2.643 14.420 4.675 1.00 0.00 H new ATOM 0 HE2 TYR A 109 2.658 10.499 3.002 1.00 0.00 H new ATOM 0 HH TYR A 109 3.922 11.087 4.717 1.00 0.00 H new ATOM 1687 N ASP A 110 0.069 16.662 1.028 1.00 0.00 N ATOM 1688 CA ASP A 110 0.491 17.924 1.624 1.00 0.00 C ATOM 1689 C ASP A 110 0.393 17.867 3.145 1.00 0.00 C ATOM 1690 O ASP A 110 -0.600 17.390 3.696 1.00 0.00 O ATOM 1691 CB ASP A 110 -0.362 19.075 1.088 1.00 0.00 C ATOM 1692 CG ASP A 110 -0.511 20.201 2.092 1.00 0.00 C ATOM 1693 OD1 ASP A 110 -1.415 20.116 2.949 1.00 0.00 O ATOM 1694 OD2 ASP A 110 0.277 21.168 2.021 1.00 0.00 O ATOM 0 H ASP A 110 -0.940 16.511 1.030 1.00 0.00 H new ATOM 0 HA ASP A 110 1.532 18.096 1.352 1.00 0.00 H new ATOM 0 HB2 ASP A 110 0.089 19.463 0.175 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -1.349 18.698 0.820 1.00 0.00 H new ATOM 1699 N HIS A 111 1.429 18.356 3.819 1.00 0.00 N ATOM 1700 CA HIS A 111 1.460 18.360 5.277 1.00 0.00 C ATOM 1701 C HIS A 111 1.961 19.700 5.806 1.00 0.00 C ATOM 1702 O HIS A 111 2.953 20.240 5.316 1.00 0.00 O ATOM 1703 CB HIS A 111 2.350 17.229 5.793 1.00 0.00 C ATOM 1704 CG HIS A 111 2.033 16.809 7.195 1.00 0.00 C ATOM 1705 ND1 HIS A 111 2.952 16.202 8.025 1.00 0.00 N ATOM 1706 CD2 HIS A 111 0.891 16.913 7.914 1.00 0.00 C ATOM 1707 CE1 HIS A 111 2.388 15.949 9.193 1.00 0.00 C ATOM 1708 NE2 HIS A 111 1.138 16.371 9.151 1.00 0.00 N ATOM 0 H HIS A 111 2.258 18.755 3.379 1.00 0.00 H new ATOM 0 HA HIS A 111 0.443 18.204 5.638 1.00 0.00 H new ATOM 0 HB2 HIS A 111 2.248 16.368 5.133 1.00 0.00 H new ATOM 0 HB3 HIS A 111 3.392 17.547 5.744 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -0.041 17.342 7.577 1.00 0.00 H new ATOM 0 HE1 HIS A 111 2.868 15.477 10.038 1.00 0.00 H new ATOM 0 HE2 HIS A 111 0.464 16.305 9.914 1.00 0.00 H new ATOM 1716 N PHE A 112 1.270 20.231 6.809 1.00 0.00 N ATOM 1717 CA PHE A 112 1.644 21.509 7.403 1.00 0.00 C ATOM 1718 C PHE A 112 1.831 22.575 6.328 1.00 0.00 C ATOM 1719 O PHE A 112 2.818 23.313 6.334 1.00 0.00 O ATOM 1720 CB PHE A 112 2.930 21.359 8.219 1.00 0.00 C ATOM 1721 CG PHE A 112 2.709 20.778 9.586 1.00 0.00 C ATOM 1722 CD1 PHE A 112 2.498 19.418 9.749 1.00 0.00 C ATOM 1723 CD2 PHE A 112 2.711 21.591 10.708 1.00 0.00 C ATOM 1724 CE1 PHE A 112 2.295 18.879 11.006 1.00 0.00 C ATOM 1725 CE2 PHE A 112 2.509 21.058 11.967 1.00 0.00 C ATOM 1726 CZ PHE A 112 2.299 19.701 12.116 1.00 0.00 C ATOM 0 H PHE A 112 0.448 19.796 7.228 1.00 0.00 H new ATOM 0 HA PHE A 112 0.837 21.824 8.064 1.00 0.00 H new ATOM 0 HB2 PHE A 112 3.626 20.724 7.671 1.00 0.00 H new ATOM 0 HB3 PHE A 112 3.402 22.336 8.320 1.00 0.00 H new ATOM 0 HD1 PHE A 112 2.492 18.771 8.884 1.00 0.00 H new ATOM 0 HD2 PHE A 112 2.872 22.653 10.597 1.00 0.00 H new ATOM 0 HE1 PHE A 112 2.134 17.817 11.120 1.00 0.00 H new ATOM 0 HE2 PHE A 112 2.515 21.702 12.834 1.00 0.00 H new ATOM 0 HZ PHE A 112 2.138 19.283 13.099 1.00 0.00 H new ATOM 1736 N HIS A 113 0.878 22.650 5.405 1.00 0.00 N ATOM 1737 CA HIS A 113 0.937 23.625 4.322 1.00 0.00 C ATOM 1738 C HIS A 113 2.227 23.471 3.521 1.00 0.00 C ATOM 1739 O HIS A 113 2.944 24.444 3.290 1.00 0.00 O ATOM 1740 CB HIS A 113 0.837 25.045 4.880 1.00 0.00 C ATOM 1741 CG HIS A 113 -0.497 25.357 5.485 1.00 0.00 C ATOM 1742 ND1 HIS A 113 -1.571 25.810 4.748 1.00 0.00 N ATOM 1743 CD2 HIS A 113 -0.929 25.279 6.766 1.00 0.00 C ATOM 1744 CE1 HIS A 113 -2.605 25.998 5.549 1.00 0.00 C ATOM 1745 NE2 HIS A 113 -2.241 25.682 6.779 1.00 0.00 N ATOM 0 H HIS A 113 0.055 22.047 5.385 1.00 0.00 H new ATOM 0 HA HIS A 113 0.093 23.443 3.657 1.00 0.00 H new ATOM 0 HB2 HIS A 113 1.611 25.186 5.634 1.00 0.00 H new ATOM 0 HB3 HIS A 113 1.039 25.756 4.079 1.00 0.00 H new ATOM 0 HD2 HIS A 113 -0.349 24.959 7.619 1.00 0.00 H new ATOM 0 HE1 HIS A 113 -3.581 26.350 5.249 1.00 0.00 H new ATOM 0 HE2 HIS A 113 -2.838 25.730 7.605 1.00 0.00 H new ATOM 1753 N GLN A 114 2.514 22.243 3.103 1.00 0.00 N ATOM 1754 CA GLN A 114 3.719 21.962 2.330 1.00 0.00 C ATOM 1755 C GLN A 114 3.560 20.678 1.521 1.00 0.00 C ATOM 1756 O GLN A 114 2.893 19.739 1.955 1.00 0.00 O ATOM 1757 CB GLN A 114 4.930 21.848 3.257 1.00 0.00 C ATOM 1758 CG GLN A 114 5.598 23.181 3.551 1.00 0.00 C ATOM 1759 CD GLN A 114 5.791 24.025 2.307 1.00 0.00 C ATOM 1760 OE1 GLN A 114 5.965 23.499 1.207 1.00 0.00 O ATOM 1761 NE2 GLN A 114 5.762 25.342 2.474 1.00 0.00 N ATOM 0 H GLN A 114 1.930 21.427 3.286 1.00 0.00 H new ATOM 0 HA GLN A 114 3.877 22.789 1.638 1.00 0.00 H new ATOM 0 HB2 GLN A 114 4.616 21.393 4.197 1.00 0.00 H new ATOM 0 HB3 GLN A 114 5.661 21.177 2.806 1.00 0.00 H new ATOM 0 HG2 GLN A 114 4.995 23.734 4.271 1.00 0.00 H new ATOM 0 HG3 GLN A 114 6.567 23.002 4.018 1.00 0.00 H new ATOM 0 HE21 GLN A 114 5.615 25.735 3.404 1.00 0.00 H new ATOM 0 HE22 GLN A 114 5.887 25.961 1.673 1.00 0.00 H new ATOM 1770 N SER A 115 4.176 20.646 0.344 1.00 0.00 N ATOM 1771 CA SER A 115 4.099 19.480 -0.527 1.00 0.00 C ATOM 1772 C SER A 115 5.061 18.390 -0.063 1.00 0.00 C ATOM 1773 O SER A 115 6.256 18.632 0.107 1.00 0.00 O ATOM 1774 CB SER A 115 4.416 19.874 -1.971 1.00 0.00 C ATOM 1775 OG SER A 115 5.769 20.273 -2.106 1.00 0.00 O ATOM 0 H SER A 115 4.734 21.414 -0.028 1.00 0.00 H new ATOM 0 HA SER A 115 3.083 19.088 -0.479 1.00 0.00 H new ATOM 0 HB2 SER A 115 4.214 19.032 -2.633 1.00 0.00 H new ATOM 0 HB3 SER A 115 3.761 20.688 -2.281 1.00 0.00 H new ATOM 0 HG SER A 115 6.313 19.818 -1.430 1.00 0.00 H new ATOM 1781 N VAL A 116 4.531 17.189 0.142 1.00 0.00 N ATOM 1782 CA VAL A 116 5.341 16.061 0.586 1.00 0.00 C ATOM 1783 C VAL A 116 5.341 14.943 -0.450 1.00 0.00 C ATOM 1784 O VAL A 116 4.298 14.363 -0.752 1.00 0.00 O ATOM 1785 CB VAL A 116 4.836 15.501 1.929 1.00 0.00 C ATOM 1786 CG1 VAL A 116 5.684 14.317 2.367 1.00 0.00 C ATOM 1787 CG2 VAL A 116 4.835 16.589 2.993 1.00 0.00 C ATOM 0 H VAL A 116 3.544 16.972 0.008 1.00 0.00 H new ATOM 0 HA VAL A 116 6.357 16.433 0.715 1.00 0.00 H new ATOM 0 HB VAL A 116 3.811 15.154 1.796 1.00 0.00 H new ATOM 0 HG11 VAL A 116 5.312 13.935 3.318 1.00 0.00 H new ATOM 0 HG12 VAL A 116 5.629 13.531 1.614 1.00 0.00 H new ATOM 0 HG13 VAL A 116 6.720 14.635 2.484 1.00 0.00 H new ATOM 0 HG21 VAL A 116 4.475 16.176 3.935 1.00 0.00 H new ATOM 0 HG22 VAL A 116 5.848 16.969 3.126 1.00 0.00 H new ATOM 0 HG23 VAL A 116 4.181 17.403 2.680 1.00 0.00 H new ATOM 1797 N GLN A 117 6.518 14.645 -0.992 1.00 0.00 N ATOM 1798 CA GLN A 117 6.653 13.596 -1.995 1.00 0.00 C ATOM 1799 C GLN A 117 7.796 12.650 -1.643 1.00 0.00 C ATOM 1800 O GLN A 117 8.961 13.048 -1.626 1.00 0.00 O ATOM 1801 CB GLN A 117 6.890 14.209 -3.376 1.00 0.00 C ATOM 1802 CG GLN A 117 7.207 13.182 -4.451 1.00 0.00 C ATOM 1803 CD GLN A 117 7.260 13.788 -5.840 1.00 0.00 C ATOM 1804 OE1 GLN A 117 6.229 14.127 -6.422 1.00 0.00 O ATOM 1805 NE2 GLN A 117 8.465 13.929 -6.379 1.00 0.00 N ATOM 0 H GLN A 117 7.391 15.115 -0.753 1.00 0.00 H new ATOM 0 HA GLN A 117 5.725 13.024 -2.013 1.00 0.00 H new ATOM 0 HB2 GLN A 117 6.004 14.771 -3.672 1.00 0.00 H new ATOM 0 HB3 GLN A 117 7.713 14.921 -3.312 1.00 0.00 H new ATOM 0 HG2 GLN A 117 8.164 12.711 -4.227 1.00 0.00 H new ATOM 0 HG3 GLN A 117 6.453 12.396 -4.430 1.00 0.00 H new ATOM 0 HE21 GLN A 117 9.293 13.635 -5.861 1.00 0.00 H new ATOM 0 HE22 GLN A 117 8.563 14.332 -7.311 1.00 0.00 H new ATOM 1814 N GLU A 118 7.456 11.396 -1.362 1.00 0.00 N ATOM 1815 CA GLU A 118 8.455 10.394 -1.008 1.00 0.00 C ATOM 1816 C GLU A 118 8.201 9.087 -1.753 1.00 0.00 C ATOM 1817 O GLU A 118 7.073 8.597 -1.801 1.00 0.00 O ATOM 1818 CB GLU A 118 8.447 10.144 0.501 1.00 0.00 C ATOM 1819 CG GLU A 118 8.751 11.384 1.325 1.00 0.00 C ATOM 1820 CD GLU A 118 10.239 11.619 1.500 1.00 0.00 C ATOM 1821 OE1 GLU A 118 10.988 11.423 0.520 1.00 0.00 O ATOM 1822 OE2 GLU A 118 10.653 11.997 2.615 1.00 0.00 O ATOM 0 H GLU A 118 6.497 11.050 -1.373 1.00 0.00 H new ATOM 0 HA GLU A 118 9.434 10.775 -1.300 1.00 0.00 H new ATOM 0 HB2 GLU A 118 7.471 9.756 0.791 1.00 0.00 H new ATOM 0 HB3 GLU A 118 9.180 9.373 0.737 1.00 0.00 H new ATOM 0 HG2 GLU A 118 8.304 12.254 0.844 1.00 0.00 H new ATOM 0 HG3 GLU A 118 8.285 11.287 2.305 1.00 0.00 H new ATOM 1829 N ILE A 119 9.259 8.528 -2.332 1.00 0.00 N ATOM 1830 CA ILE A 119 9.151 7.278 -3.074 1.00 0.00 C ATOM 1831 C ILE A 119 10.134 6.239 -2.545 1.00 0.00 C ATOM 1832 O ILE A 119 11.341 6.480 -2.493 1.00 0.00 O ATOM 1833 CB ILE A 119 9.406 7.491 -4.577 1.00 0.00 C ATOM 1834 CG1 ILE A 119 8.398 8.490 -5.151 1.00 0.00 C ATOM 1835 CG2 ILE A 119 9.329 6.166 -5.321 1.00 0.00 C ATOM 1836 CD1 ILE A 119 8.851 9.130 -6.445 1.00 0.00 C ATOM 0 H ILE A 119 10.200 8.921 -2.301 1.00 0.00 H new ATOM 0 HA ILE A 119 8.132 6.916 -2.935 1.00 0.00 H new ATOM 0 HB ILE A 119 10.408 7.900 -4.706 1.00 0.00 H new ATOM 0 HG12 ILE A 119 7.449 7.980 -5.320 1.00 0.00 H new ATOM 0 HG13 ILE A 119 8.213 9.271 -4.414 1.00 0.00 H new ATOM 0 HG21 ILE A 119 9.512 6.334 -6.382 1.00 0.00 H new ATOM 0 HG22 ILE A 119 10.082 5.483 -4.927 1.00 0.00 H new ATOM 0 HG23 ILE A 119 8.339 5.731 -5.187 1.00 0.00 H new ATOM 0 HD11 ILE A 119 8.088 9.826 -6.793 1.00 0.00 H new ATOM 0 HD12 ILE A 119 9.784 9.668 -6.278 1.00 0.00 H new ATOM 0 HD13 ILE A 119 9.008 8.357 -7.198 1.00 0.00 H new ATOM 1848 N PHE A 120 9.611 5.081 -2.156 1.00 0.00 N ATOM 1849 CA PHE A 120 10.443 4.004 -1.632 1.00 0.00 C ATOM 1850 C PHE A 120 9.952 2.647 -2.129 1.00 0.00 C ATOM 1851 O PHE A 120 8.826 2.521 -2.608 1.00 0.00 O ATOM 1852 CB PHE A 120 10.444 4.030 -0.102 1.00 0.00 C ATOM 1853 CG PHE A 120 9.072 4.160 0.496 1.00 0.00 C ATOM 1854 CD1 PHE A 120 8.177 3.103 0.445 1.00 0.00 C ATOM 1855 CD2 PHE A 120 8.678 5.338 1.110 1.00 0.00 C ATOM 1856 CE1 PHE A 120 6.914 3.219 0.995 1.00 0.00 C ATOM 1857 CE2 PHE A 120 7.417 5.459 1.662 1.00 0.00 C ATOM 1858 CZ PHE A 120 6.533 4.399 1.603 1.00 0.00 C ATOM 0 H PHE A 120 8.615 4.864 -2.194 1.00 0.00 H new ATOM 0 HA PHE A 120 11.461 4.156 -1.991 1.00 0.00 H new ATOM 0 HB2 PHE A 120 10.908 3.116 0.269 1.00 0.00 H new ATOM 0 HB3 PHE A 120 11.061 4.862 0.239 1.00 0.00 H new ATOM 0 HD1 PHE A 120 8.470 2.178 -0.030 1.00 0.00 H new ATOM 0 HD2 PHE A 120 9.364 6.171 1.158 1.00 0.00 H new ATOM 0 HE1 PHE A 120 6.226 2.388 0.949 1.00 0.00 H new ATOM 0 HE2 PHE A 120 7.123 6.382 2.139 1.00 0.00 H new ATOM 0 HZ PHE A 120 5.546 4.493 2.031 1.00 0.00 H new ATOM 1868 N GLU A 121 10.807 1.636 -2.010 1.00 0.00 N ATOM 1869 CA GLU A 121 10.460 0.289 -2.449 1.00 0.00 C ATOM 1870 C GLU A 121 10.461 -0.683 -1.272 1.00 0.00 C ATOM 1871 O GLU A 121 11.306 -0.596 -0.381 1.00 0.00 O ATOM 1872 CB GLU A 121 11.441 -0.190 -3.521 1.00 0.00 C ATOM 1873 CG GLU A 121 11.527 0.734 -4.724 1.00 0.00 C ATOM 1874 CD GLU A 121 12.015 2.123 -4.359 1.00 0.00 C ATOM 1875 OE1 GLU A 121 13.184 2.250 -3.938 1.00 0.00 O ATOM 1876 OE2 GLU A 121 11.228 3.082 -4.495 1.00 0.00 O ATOM 0 H GLU A 121 11.743 1.724 -1.614 1.00 0.00 H new ATOM 0 HA GLU A 121 9.456 0.319 -2.873 1.00 0.00 H new ATOM 0 HB2 GLU A 121 12.432 -0.288 -3.077 1.00 0.00 H new ATOM 0 HB3 GLU A 121 11.143 -1.183 -3.857 1.00 0.00 H new ATOM 0 HG2 GLU A 121 12.199 0.300 -5.464 1.00 0.00 H new ATOM 0 HG3 GLU A 121 10.545 0.809 -5.191 1.00 0.00 H new ATOM 1883 N VAL A 122 9.507 -1.609 -1.276 1.00 0.00 N ATOM 1884 CA VAL A 122 9.397 -2.598 -0.211 1.00 0.00 C ATOM 1885 C VAL A 122 10.239 -3.831 -0.517 1.00 0.00 C ATOM 1886 O VAL A 122 9.815 -4.715 -1.260 1.00 0.00 O ATOM 1887 CB VAL A 122 7.934 -3.029 0.005 1.00 0.00 C ATOM 1888 CG1 VAL A 122 7.800 -3.842 1.284 1.00 0.00 C ATOM 1889 CG2 VAL A 122 7.020 -1.813 0.039 1.00 0.00 C ATOM 0 H VAL A 122 8.799 -1.694 -2.005 1.00 0.00 H new ATOM 0 HA VAL A 122 9.767 -2.126 0.699 1.00 0.00 H new ATOM 0 HB VAL A 122 7.632 -3.659 -0.831 1.00 0.00 H new ATOM 0 HG11 VAL A 122 6.760 -4.138 1.420 1.00 0.00 H new ATOM 0 HG12 VAL A 122 8.424 -4.733 1.216 1.00 0.00 H new ATOM 0 HG13 VAL A 122 8.120 -3.239 2.134 1.00 0.00 H new ATOM 0 HG21 VAL A 122 5.990 -2.136 0.192 1.00 0.00 H new ATOM 0 HG22 VAL A 122 7.319 -1.155 0.855 1.00 0.00 H new ATOM 0 HG23 VAL A 122 7.095 -1.275 -0.906 1.00 0.00 H new ATOM 1899 N ASN A 123 11.434 -3.884 0.062 1.00 0.00 N ATOM 1900 CA ASN A 123 12.336 -5.010 -0.149 1.00 0.00 C ATOM 1901 C ASN A 123 12.240 -6.008 1.001 1.00 0.00 C ATOM 1902 O ASN A 123 12.998 -6.974 1.063 1.00 0.00 O ATOM 1903 CB ASN A 123 13.777 -4.516 -0.290 1.00 0.00 C ATOM 1904 CG ASN A 123 14.318 -3.933 1.001 1.00 0.00 C ATOM 1905 OD1 ASN A 123 14.984 -4.621 1.775 1.00 0.00 O ATOM 1906 ND2 ASN A 123 14.032 -2.658 1.240 1.00 0.00 N ATOM 0 H ASN A 123 11.800 -3.160 0.681 1.00 0.00 H new ATOM 0 HA ASN A 123 12.039 -5.513 -1.069 1.00 0.00 H new ATOM 0 HB2 ASN A 123 14.412 -5.343 -0.606 1.00 0.00 H new ATOM 0 HB3 ASN A 123 13.824 -3.760 -1.074 1.00 0.00 H new ATOM 0 HD21 ASN A 123 14.368 -2.211 2.093 1.00 0.00 H new ATOM 0 HD22 ASN A 123 13.477 -2.126 0.570 1.00 0.00 H new ATOM 1913 N ASN A 124 11.300 -5.765 1.910 1.00 0.00 N ATOM 1914 CA ASN A 124 11.104 -6.642 3.059 1.00 0.00 C ATOM 1915 C ASN A 124 9.817 -7.448 2.913 1.00 0.00 C ATOM 1916 O ASN A 124 9.358 -8.083 3.865 1.00 0.00 O ATOM 1917 CB ASN A 124 11.063 -5.824 4.351 1.00 0.00 C ATOM 1918 CG ASN A 124 12.016 -4.644 4.318 1.00 0.00 C ATOM 1919 OD1 ASN A 124 13.194 -4.793 3.994 1.00 0.00 O ATOM 1920 ND2 ASN A 124 11.509 -3.465 4.656 1.00 0.00 N ATOM 0 H ASN A 124 10.663 -4.969 1.873 1.00 0.00 H new ATOM 0 HA ASN A 124 11.944 -7.335 3.103 1.00 0.00 H new ATOM 0 HB2 ASN A 124 10.048 -5.463 4.518 1.00 0.00 H new ATOM 0 HB3 ASN A 124 11.315 -6.468 5.194 1.00 0.00 H new ATOM 0 HD21 ASN A 124 12.102 -2.635 4.654 1.00 0.00 H new ATOM 0 HD22 ASN A 124 10.526 -3.389 4.918 1.00 0.00 H new ATOM 1927 N LEU A 125 9.239 -7.420 1.718 1.00 0.00 N ATOM 1928 CA LEU A 125 8.005 -8.149 1.447 1.00 0.00 C ATOM 1929 C LEU A 125 8.052 -9.545 2.058 1.00 0.00 C ATOM 1930 O LEU A 125 9.101 -10.185 2.127 1.00 0.00 O ATOM 1931 CB LEU A 125 7.769 -8.247 -0.062 1.00 0.00 C ATOM 1932 CG LEU A 125 7.440 -6.937 -0.777 1.00 0.00 C ATOM 1933 CD1 LEU A 125 7.670 -7.073 -2.274 1.00 0.00 C ATOM 1934 CD2 LEU A 125 6.004 -6.519 -0.492 1.00 0.00 C ATOM 0 H LEU A 125 9.605 -6.900 0.920 1.00 0.00 H new ATOM 0 HA LEU A 125 7.180 -7.601 1.903 1.00 0.00 H new ATOM 0 HB2 LEU A 125 8.660 -8.674 -0.522 1.00 0.00 H new ATOM 0 HB3 LEU A 125 6.953 -8.948 -0.237 1.00 0.00 H new ATOM 0 HG LEU A 125 8.105 -6.162 -0.397 1.00 0.00 H new ATOM 0 HD11 LEU A 125 7.430 -6.130 -2.766 1.00 0.00 H new ATOM 0 HD12 LEU A 125 8.714 -7.325 -2.460 1.00 0.00 H new ATOM 0 HD13 LEU A 125 7.031 -7.862 -2.670 1.00 0.00 H new ATOM 0 HD21 LEU A 125 5.788 -5.584 -1.009 1.00 0.00 H new ATOM 0 HD22 LEU A 125 5.323 -7.294 -0.843 1.00 0.00 H new ATOM 0 HD23 LEU A 125 5.872 -6.379 0.581 1.00 0.00 H new ATOM 1946 N PRO A 126 6.887 -10.032 2.511 1.00 0.00 N ATOM 1947 CA PRO A 126 6.768 -11.360 3.122 1.00 0.00 C ATOM 1948 C PRO A 126 6.956 -12.483 2.108 1.00 0.00 C ATOM 1949 O PRO A 126 6.790 -12.283 0.905 1.00 0.00 O ATOM 1950 CB PRO A 126 5.340 -11.370 3.672 1.00 0.00 C ATOM 1951 CG PRO A 126 4.601 -10.391 2.826 1.00 0.00 C ATOM 1952 CD PRO A 126 5.596 -9.325 2.460 1.00 0.00 C ATOM 0 HA PRO A 126 7.533 -11.530 3.880 1.00 0.00 H new ATOM 0 HB2 PRO A 126 4.897 -12.364 3.606 1.00 0.00 H new ATOM 0 HB3 PRO A 126 5.318 -11.081 4.723 1.00 0.00 H new ATOM 0 HG2 PRO A 126 4.198 -10.872 1.934 1.00 0.00 H new ATOM 0 HG3 PRO A 126 3.756 -9.966 3.368 1.00 0.00 H new ATOM 0 HD2 PRO A 126 5.401 -8.916 1.469 1.00 0.00 H new ATOM 0 HD3 PRO A 126 5.567 -8.490 3.160 1.00 0.00 H new ATOM 1960 N VAL A 127 7.305 -13.667 2.603 1.00 0.00 N ATOM 1961 CA VAL A 127 7.514 -14.824 1.740 1.00 0.00 C ATOM 1962 C VAL A 127 6.259 -15.684 1.660 1.00 0.00 C ATOM 1963 O VAL A 127 5.937 -16.234 0.606 1.00 0.00 O ATOM 1964 CB VAL A 127 8.686 -15.690 2.238 1.00 0.00 C ATOM 1965 CG1 VAL A 127 9.970 -14.876 2.288 1.00 0.00 C ATOM 1966 CG2 VAL A 127 8.368 -16.283 3.602 1.00 0.00 C ATOM 0 H VAL A 127 7.449 -13.850 3.596 1.00 0.00 H new ATOM 0 HA VAL A 127 7.751 -14.440 0.748 1.00 0.00 H new ATOM 0 HB VAL A 127 8.832 -16.510 1.535 1.00 0.00 H new ATOM 0 HG11 VAL A 127 10.786 -15.505 2.642 1.00 0.00 H new ATOM 0 HG12 VAL A 127 10.205 -14.505 1.290 1.00 0.00 H new ATOM 0 HG13 VAL A 127 9.840 -14.033 2.967 1.00 0.00 H new ATOM 0 HG21 VAL A 127 9.207 -16.892 3.939 1.00 0.00 H new ATOM 0 HG22 VAL A 127 8.194 -15.479 4.317 1.00 0.00 H new ATOM 0 HG23 VAL A 127 7.475 -16.904 3.530 1.00 0.00 H new ATOM 1976 N GLU A 128 5.552 -15.797 2.780 1.00 0.00 N ATOM 1977 CA GLU A 128 4.331 -16.591 2.836 1.00 0.00 C ATOM 1978 C GLU A 128 3.488 -16.382 1.581 1.00 0.00 C ATOM 1979 O GLU A 128 2.760 -17.278 1.153 1.00 0.00 O ATOM 1980 CB GLU A 128 3.515 -16.227 4.078 1.00 0.00 C ATOM 1981 CG GLU A 128 4.157 -16.675 5.381 1.00 0.00 C ATOM 1982 CD GLU A 128 4.386 -18.173 5.433 1.00 0.00 C ATOM 1983 OE1 GLU A 128 3.574 -18.919 4.847 1.00 0.00 O ATOM 1984 OE2 GLU A 128 5.377 -18.599 6.062 1.00 0.00 O ATOM 0 H GLU A 128 5.804 -15.349 3.661 1.00 0.00 H new ATOM 0 HA GLU A 128 4.614 -17.642 2.892 1.00 0.00 H new ATOM 0 HB2 GLU A 128 3.373 -15.147 4.105 1.00 0.00 H new ATOM 0 HB3 GLU A 128 2.525 -16.677 3.997 1.00 0.00 H new ATOM 0 HG2 GLU A 128 5.110 -16.161 5.508 1.00 0.00 H new ATOM 0 HG3 GLU A 128 3.521 -16.379 6.216 1.00 0.00 H new ATOM 1991 N SER A 129 3.592 -15.193 0.997 1.00 0.00 N ATOM 1992 CA SER A 129 2.837 -14.864 -0.206 1.00 0.00 C ATOM 1993 C SER A 129 3.169 -15.831 -1.338 1.00 0.00 C ATOM 1994 O SER A 129 2.277 -16.331 -2.023 1.00 0.00 O ATOM 1995 CB SER A 129 3.134 -13.428 -0.644 1.00 0.00 C ATOM 1996 OG SER A 129 2.663 -13.187 -1.958 1.00 0.00 O ATOM 0 H SER A 129 4.192 -14.441 1.337 1.00 0.00 H new ATOM 0 HA SER A 129 1.776 -14.954 0.026 1.00 0.00 H new ATOM 0 HB2 SER A 129 2.664 -12.729 0.048 1.00 0.00 H new ATOM 0 HB3 SER A 129 4.208 -13.246 -0.600 1.00 0.00 H new ATOM 0 HG SER A 129 2.864 -12.262 -2.213 1.00 0.00 H new ATOM 2002 N TRP A 130 4.457 -16.090 -1.528 1.00 0.00 N ATOM 2003 CA TRP A 130 4.908 -16.997 -2.577 1.00 0.00 C ATOM 2004 C TRP A 130 5.101 -18.408 -2.030 1.00 0.00 C ATOM 2005 O TRP A 130 4.648 -19.382 -2.631 1.00 0.00 O ATOM 2006 CB TRP A 130 6.216 -16.492 -3.189 1.00 0.00 C ATOM 2007 CG TRP A 130 7.366 -16.503 -2.228 1.00 0.00 C ATOM 2008 CD1 TRP A 130 7.792 -15.466 -1.449 1.00 0.00 C ATOM 2009 CD2 TRP A 130 8.237 -17.604 -1.947 1.00 0.00 C ATOM 2010 NE1 TRP A 130 8.876 -15.856 -0.700 1.00 0.00 N ATOM 2011 CE2 TRP A 130 9.168 -17.164 -0.986 1.00 0.00 C ATOM 2012 CE3 TRP A 130 8.320 -18.919 -2.411 1.00 0.00 C ATOM 2013 CZ2 TRP A 130 10.168 -17.992 -0.485 1.00 0.00 C ATOM 2014 CZ3 TRP A 130 9.313 -19.741 -1.913 1.00 0.00 C ATOM 2015 CH2 TRP A 130 10.226 -19.275 -0.957 1.00 0.00 C ATOM 0 H TRP A 130 5.208 -15.685 -0.969 1.00 0.00 H new ATOM 0 HA TRP A 130 4.141 -17.028 -3.351 1.00 0.00 H new ATOM 0 HB2 TRP A 130 6.467 -17.109 -4.052 1.00 0.00 H new ATOM 0 HB3 TRP A 130 6.068 -15.476 -3.556 1.00 0.00 H new ATOM 0 HD1 TRP A 130 7.343 -14.484 -1.425 1.00 0.00 H new ATOM 0 HE1 TRP A 130 9.382 -15.267 -0.038 1.00 0.00 H new ATOM 0 HE3 TRP A 130 7.620 -19.287 -3.146 1.00 0.00 H new ATOM 0 HZ2 TRP A 130 10.873 -17.635 0.250 1.00 0.00 H new ATOM 0 HZ3 TRP A 130 9.387 -20.759 -2.266 1.00 0.00 H new ATOM 0 HH2 TRP A 130 10.990 -19.942 -0.586 1.00 0.00 H new ATOM 2026 N GLN A 131 5.774 -18.509 -0.889 1.00 0.00 N ATOM 2027 CA GLN A 131 6.026 -19.802 -0.263 1.00 0.00 C ATOM 2028 C GLN A 131 4.721 -20.558 -0.032 1.00 0.00 C ATOM 2029 O GLN A 131 3.635 -19.984 -0.119 1.00 0.00 O ATOM 2030 CB GLN A 131 6.762 -19.615 1.064 1.00 0.00 C ATOM 2031 CG GLN A 131 7.604 -20.816 1.467 1.00 0.00 C ATOM 2032 CD GLN A 131 8.603 -20.488 2.559 1.00 0.00 C ATOM 2033 OE1 GLN A 131 8.236 -19.989 3.623 1.00 0.00 O ATOM 2034 NE2 GLN A 131 9.875 -20.767 2.300 1.00 0.00 N ATOM 0 H GLN A 131 6.155 -17.712 -0.379 1.00 0.00 H new ATOM 0 HA GLN A 131 6.650 -20.388 -0.937 1.00 0.00 H new ATOM 0 HB2 GLN A 131 7.405 -18.738 0.993 1.00 0.00 H new ATOM 0 HB3 GLN A 131 6.033 -19.413 1.849 1.00 0.00 H new ATOM 0 HG2 GLN A 131 6.948 -21.617 1.808 1.00 0.00 H new ATOM 0 HG3 GLN A 131 8.137 -21.191 0.593 1.00 0.00 H new ATOM 0 HE21 GLN A 131 10.134 -21.180 1.404 1.00 0.00 H new ATOM 0 HE22 GLN A 131 10.593 -20.568 2.997 1.00 0.00 H new TER 2043 GLN A 131