USER MOD reduce.3.24.130724 H: found=0, std=0, add=1078, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1072 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 73 LYS NZ :NH3+ -142:sc= 2.23 (180deg=0.149) USER MOD Set 1.2: A 87 GLN : amide:sc= 0.849 K(o=3.1,f=-6.1!) USER MOD Set 2.1: A 65 GLN : amide:sc= 0 K(o=2.4,f=2.9) USER MOD Set 2.2: A 129 HIS : no HD1:sc= 1.06 K(o=2.4,f=-6.5!) USER MOD Set 2.3: A 130 SER OG : rot -83:sc= 1.34 USER MOD Set 3.1: A 13 SER OG : rot -173:sc= 1.65 USER MOD Set 3.2: A 55 LYS NZ :NH3+ 146:sc= 2.41 (180deg=1.93) USER MOD Set 4.1: A 41 THR OG1 : rot -171:sc= -0.543 USER MOD Set 4.2: A 47 GLN : amide:sc= -2.25! C(o=-2.8!,f=-5!) USER MOD Set 5.1: A 25 HIS : no HE2:sc= 1.16 K(o=2.9,f=-7.2!) USER MOD Set 5.2: A 29 ASN : amide:sc= -0.431 K(o=2.9,f=0.57) USER MOD Set 5.3: A 37 THR OG1 : rot -115:sc= 2.15 USER MOD Single : A 3 LYS NZ :NH3+ 176:sc= 1.15 (180deg=0.692) USER MOD Single : A 7 CYS SG : rot 180:sc= -0.169 USER MOD Single : A 9 SER OG : rot 180:sc= 0.00557 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.0263 USER MOD Single : A 20 SER OG : rot -110:sc= -0.022 USER MOD Single : A 21 SER OG : rot 28:sc= 0.294 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -1.65! K(o=-1.6!,f=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.00114 USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 CYS SG : rot -41:sc= 0.261 USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 56 HIS : no HD1:sc= -0.477 X(o=-0.48,f=-0.11) USER MOD Single : A 66 SER OG : rot 180:sc= -0.0584 USER MOD Single : A 67 TYR OH : rot 180:sc= -1.14 USER MOD Single : A 70 GLN : amide:sc= -0.099 X(o=-0.099,f=0) USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.0497 USER MOD Single : A 76 LYS NZ :NH3+ 163:sc= 1.27 (180deg=1.18) USER MOD Single : A 77 SER OG : rot -86:sc= 1.24 USER MOD Single : A 78 THR OG1 : rot -105:sc= 0.00259 USER MOD Single : A 79 SER OG : rot 180:sc= 0.0339 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 165:sc= 1.13 (180deg=0.654) USER MOD Single : A 95 HIS : no HD1:sc= -0.0866 X(o=-0.087,f=-0.38) USER MOD Single : A 96 THR OG1 : rot 42:sc= 0.168 USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 101 GLN : amide:sc= -1.18 X(o=-1.2,f=-0.84) USER MOD Single : A 102 ASN : amide:sc= -0.224 K(o=-0.22,f=-2.8!) USER MOD Single : A 108 HIS : no HD1:sc= -0.135 X(o=-0.14,f=-0.12) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 148:sc= 0.914 USER MOD Single : A 113 TYR OH : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 124 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 132 SER OG : rot -93:sc= 1.2 USER MOD Single : A 136 THR OG1 : rot 180:sc= 0 USER MOD Single : A 139 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N ARG A 2 0.506 -12.228 5.636 1.00 0.00 N ATOM 19 CA ARG A 2 0.400 -12.073 4.195 1.00 0.00 C ATOM 20 C ARG A 2 0.674 -10.628 3.788 1.00 0.00 C ATOM 21 O ARG A 2 -0.177 -9.951 3.212 1.00 0.00 O ATOM 22 CB ARG A 2 -0.970 -12.556 3.690 1.00 0.00 C ATOM 23 CG ARG A 2 -2.165 -11.873 4.339 1.00 0.00 C ATOM 24 CD ARG A 2 -3.472 -12.543 3.934 1.00 0.00 C ATOM 25 NE ARG A 2 -4.642 -11.888 4.526 1.00 0.00 N ATOM 26 CZ ARG A 2 -4.991 -11.990 5.813 1.00 0.00 C ATOM 27 NH1 ARG A 2 -4.289 -12.762 6.635 1.00 0.00 N ATOM 28 NH2 ARG A 2 -6.065 -11.351 6.265 1.00 0.00 N ATOM 0 HA ARG A 2 1.158 -12.698 3.724 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -1.020 -12.399 2.613 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -1.046 -13.630 3.860 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -2.059 -11.903 5.423 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -2.187 -10.822 4.050 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -3.562 -12.530 2.848 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -3.451 -13.589 4.240 1.00 0.00 H new ATOM 0 HE ARG A 2 -5.228 -11.317 3.917 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -3.482 -13.278 6.285 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -4.557 -12.838 7.616 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -6.625 -10.782 5.630 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -6.330 -11.430 7.247 1.00 0.00 H new ATOM 42 N LYS A 3 1.868 -10.154 4.115 1.00 0.00 N ATOM 43 CA LYS A 3 2.290 -8.827 3.708 1.00 0.00 C ATOM 44 C LYS A 3 3.666 -8.866 3.058 1.00 0.00 C ATOM 45 O LYS A 3 4.695 -8.838 3.734 1.00 0.00 O ATOM 46 CB LYS A 3 2.302 -7.852 4.885 1.00 0.00 C ATOM 47 CG LYS A 3 2.826 -6.476 4.502 1.00 0.00 C ATOM 48 CD LYS A 3 2.874 -5.537 5.692 1.00 0.00 C ATOM 49 CE LYS A 3 3.546 -4.219 5.334 1.00 0.00 C ATOM 50 NZ LYS A 3 2.897 -3.549 4.178 1.00 0.00 N ATOM 0 H LYS A 3 2.559 -10.670 4.660 1.00 0.00 H new ATOM 0 HA LYS A 3 1.563 -8.473 2.977 1.00 0.00 H new ATOM 0 HB2 LYS A 3 1.291 -7.754 5.281 1.00 0.00 H new ATOM 0 HB3 LYS A 3 2.919 -8.262 5.685 1.00 0.00 H new ATOM 0 HG2 LYS A 3 3.825 -6.574 4.076 1.00 0.00 H new ATOM 0 HG3 LYS A 3 2.190 -6.048 3.727 1.00 0.00 H new ATOM 0 HD2 LYS A 3 1.861 -5.346 6.047 1.00 0.00 H new ATOM 0 HD3 LYS A 3 3.415 -6.012 6.510 1.00 0.00 H new ATOM 0 HE2 LYS A 3 3.520 -3.554 6.198 1.00 0.00 H new ATOM 0 HE3 LYS A 3 4.596 -4.400 5.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 3.346 -2.625 4.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 3.004 -4.140 3.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 1.886 -3.412 4.379 1.00 0.00 H new ATOM 64 N ILE A 4 3.665 -8.972 1.747 1.00 0.00 N ATOM 65 CA ILE A 4 4.865 -8.810 0.951 1.00 0.00 C ATOM 66 C ILE A 4 4.526 -7.917 -0.231 1.00 0.00 C ATOM 67 O ILE A 4 3.530 -8.154 -0.911 1.00 0.00 O ATOM 68 CB ILE A 4 5.430 -10.172 0.467 1.00 0.00 C ATOM 69 CG1 ILE A 4 6.605 -9.957 -0.495 1.00 0.00 C ATOM 70 CG2 ILE A 4 4.343 -11.018 -0.187 1.00 0.00 C ATOM 71 CD1 ILE A 4 7.219 -11.244 -1.005 1.00 0.00 C ATOM 0 H ILE A 4 2.828 -9.174 1.199 1.00 0.00 H new ATOM 0 HA ILE A 4 5.644 -8.355 1.563 1.00 0.00 H new ATOM 0 HB ILE A 4 5.794 -10.715 1.339 1.00 0.00 H new ATOM 0 HG12 ILE A 4 6.263 -9.366 -1.345 1.00 0.00 H new ATOM 0 HG13 ILE A 4 7.374 -9.373 0.010 1.00 0.00 H new ATOM 0 HG21 ILE A 4 4.768 -11.966 -0.516 1.00 0.00 H new ATOM 0 HG22 ILE A 4 3.547 -11.208 0.533 1.00 0.00 H new ATOM 0 HG23 ILE A 4 3.935 -10.486 -1.046 1.00 0.00 H new ATOM 0 HD11 ILE A 4 8.043 -11.012 -1.679 1.00 0.00 H new ATOM 0 HD12 ILE A 4 7.592 -11.828 -0.163 1.00 0.00 H new ATOM 0 HD13 ILE A 4 6.464 -11.820 -1.540 1.00 0.00 H new ATOM 83 N ASP A 5 5.308 -6.862 -0.441 1.00 0.00 N ATOM 84 CA ASP A 5 4.999 -5.904 -1.497 1.00 0.00 C ATOM 85 C ASP A 5 5.070 -6.578 -2.856 1.00 0.00 C ATOM 86 O ASP A 5 6.148 -6.887 -3.366 1.00 0.00 O ATOM 87 CB ASP A 5 5.936 -4.697 -1.458 1.00 0.00 C ATOM 88 CG ASP A 5 5.459 -3.567 -2.358 1.00 0.00 C ATOM 89 OD1 ASP A 5 4.584 -3.812 -3.220 1.00 0.00 O ATOM 90 OD2 ASP A 5 5.943 -2.426 -2.190 1.00 0.00 O ATOM 0 H ASP A 5 6.148 -6.651 0.097 1.00 0.00 H new ATOM 0 HA ASP A 5 3.985 -5.542 -1.328 1.00 0.00 H new ATOM 0 HB2 ASP A 5 6.015 -4.334 -0.433 1.00 0.00 H new ATOM 0 HB3 ASP A 5 6.935 -5.006 -1.765 1.00 0.00 H new ATOM 95 N LEU A 6 3.907 -6.808 -3.430 1.00 0.00 N ATOM 96 CA LEU A 6 3.793 -7.533 -4.676 1.00 0.00 C ATOM 97 C LEU A 6 3.989 -6.611 -5.876 1.00 0.00 C ATOM 98 O LEU A 6 3.998 -7.067 -7.023 1.00 0.00 O ATOM 99 CB LEU A 6 2.434 -8.233 -4.725 1.00 0.00 C ATOM 100 CG LEU A 6 2.185 -9.204 -3.564 1.00 0.00 C ATOM 101 CD1 LEU A 6 0.708 -9.541 -3.428 1.00 0.00 C ATOM 102 CD2 LEU A 6 3.007 -10.471 -3.747 1.00 0.00 C ATOM 0 H LEU A 6 3.015 -6.497 -3.045 1.00 0.00 H new ATOM 0 HA LEU A 6 4.582 -8.283 -4.726 1.00 0.00 H new ATOM 0 HB2 LEU A 6 1.648 -7.477 -4.727 1.00 0.00 H new ATOM 0 HB3 LEU A 6 2.353 -8.779 -5.665 1.00 0.00 H new ATOM 0 HG LEU A 6 2.499 -8.712 -2.643 1.00 0.00 H new ATOM 0 HD11 LEU A 6 0.567 -10.231 -2.596 1.00 0.00 H new ATOM 0 HD12 LEU A 6 0.142 -8.628 -3.242 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.355 -10.006 -4.348 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.819 -11.150 -2.915 1.00 0.00 H new ATOM 0 HD22 LEU A 6 2.725 -10.956 -4.682 1.00 0.00 H new ATOM 0 HD23 LEU A 6 4.066 -10.216 -3.776 1.00 0.00 H new ATOM 114 N CYS A 7 4.176 -5.323 -5.618 1.00 0.00 N ATOM 115 CA CYS A 7 4.363 -4.349 -6.686 1.00 0.00 C ATOM 116 C CYS A 7 5.843 -4.118 -6.975 1.00 0.00 C ATOM 117 O CYS A 7 6.201 -3.556 -8.009 1.00 0.00 O ATOM 118 CB CYS A 7 3.693 -3.024 -6.330 1.00 0.00 C ATOM 119 SG CYS A 7 1.893 -3.115 -6.198 1.00 0.00 S ATOM 0 H CYS A 7 4.202 -4.928 -4.678 1.00 0.00 H new ATOM 0 HA CYS A 7 3.897 -4.755 -7.584 1.00 0.00 H new ATOM 0 HB2 CYS A 7 4.098 -2.668 -5.383 1.00 0.00 H new ATOM 0 HB3 CYS A 7 3.954 -2.283 -7.086 1.00 0.00 H new ATOM 0 HG CYS A 7 1.421 -1.943 -5.891 1.00 0.00 H new ATOM 125 N LEU A 8 6.703 -4.570 -6.065 1.00 0.00 N ATOM 126 CA LEU A 8 8.132 -4.349 -6.177 1.00 0.00 C ATOM 127 C LEU A 8 8.723 -5.038 -7.395 1.00 0.00 C ATOM 128 O LEU A 8 8.497 -6.230 -7.628 1.00 0.00 O ATOM 129 CB LEU A 8 8.852 -4.865 -4.927 1.00 0.00 C ATOM 130 CG LEU A 8 8.659 -4.029 -3.667 1.00 0.00 C ATOM 131 CD1 LEU A 8 9.370 -4.670 -2.485 1.00 0.00 C ATOM 132 CD2 LEU A 8 9.177 -2.624 -3.895 1.00 0.00 C ATOM 0 H LEU A 8 6.425 -5.096 -5.236 1.00 0.00 H new ATOM 0 HA LEU A 8 8.276 -3.274 -6.281 1.00 0.00 H new ATOM 0 HB2 LEU A 8 8.510 -5.880 -4.725 1.00 0.00 H new ATOM 0 HB3 LEU A 8 9.919 -4.925 -5.142 1.00 0.00 H new ATOM 0 HG LEU A 8 7.594 -3.981 -3.439 1.00 0.00 H new ATOM 0 HD11 LEU A 8 9.220 -4.058 -1.595 1.00 0.00 H new ATOM 0 HD12 LEU A 8 8.964 -5.667 -2.313 1.00 0.00 H new ATOM 0 HD13 LEU A 8 10.436 -4.745 -2.699 1.00 0.00 H new ATOM 0 HD21 LEU A 8 9.036 -2.033 -2.990 1.00 0.00 H new ATOM 0 HD22 LEU A 8 10.238 -2.663 -4.141 1.00 0.00 H new ATOM 0 HD23 LEU A 8 8.630 -2.164 -4.718 1.00 0.00 H new ATOM 144 N SER A 9 9.507 -4.285 -8.147 1.00 0.00 N ATOM 145 CA SER A 9 10.300 -4.842 -9.224 1.00 0.00 C ATOM 146 C SER A 9 11.341 -5.791 -8.648 1.00 0.00 C ATOM 147 O SER A 9 11.854 -6.673 -9.338 1.00 0.00 O ATOM 148 CB SER A 9 10.977 -3.715 -9.998 1.00 0.00 C ATOM 149 OG SER A 9 11.640 -2.824 -9.116 1.00 0.00 O ATOM 0 H SER A 9 9.610 -3.277 -8.028 1.00 0.00 H new ATOM 0 HA SER A 9 9.656 -5.397 -9.906 1.00 0.00 H new ATOM 0 HB2 SER A 9 11.693 -4.133 -10.705 1.00 0.00 H new ATOM 0 HB3 SER A 9 10.234 -3.171 -10.581 1.00 0.00 H new ATOM 0 HG SER A 9 12.068 -2.110 -9.633 1.00 0.00 H new ATOM 155 N SER A 10 11.613 -5.620 -7.356 1.00 0.00 N ATOM 156 CA SER A 10 12.574 -6.452 -6.656 1.00 0.00 C ATOM 157 C SER A 10 11.985 -7.839 -6.450 1.00 0.00 C ATOM 158 O SER A 10 12.703 -8.828 -6.309 1.00 0.00 O ATOM 159 CB SER A 10 12.922 -5.823 -5.308 1.00 0.00 C ATOM 160 OG SER A 10 13.242 -4.451 -5.459 1.00 0.00 O ATOM 0 H SER A 10 11.175 -4.906 -6.774 1.00 0.00 H new ATOM 0 HA SER A 10 13.485 -6.533 -7.249 1.00 0.00 H new ATOM 0 HB2 SER A 10 12.081 -5.931 -4.623 1.00 0.00 H new ATOM 0 HB3 SER A 10 13.765 -6.351 -4.863 1.00 0.00 H new ATOM 0 HG SER A 10 13.460 -4.068 -4.584 1.00 0.00 H new ATOM 166 N GLU A 11 10.662 -7.895 -6.463 1.00 0.00 N ATOM 167 CA GLU A 11 9.941 -9.137 -6.293 1.00 0.00 C ATOM 168 C GLU A 11 9.584 -9.732 -7.654 1.00 0.00 C ATOM 169 O GLU A 11 8.810 -10.687 -7.747 1.00 0.00 O ATOM 170 CB GLU A 11 8.681 -8.896 -5.456 1.00 0.00 C ATOM 171 CG GLU A 11 8.973 -8.396 -4.049 1.00 0.00 C ATOM 172 CD GLU A 11 10.004 -9.239 -3.324 1.00 0.00 C ATOM 173 OE1 GLU A 11 9.730 -10.426 -3.053 1.00 0.00 O ATOM 174 OE2 GLU A 11 11.093 -8.715 -3.016 1.00 0.00 O ATOM 0 H GLU A 11 10.063 -7.079 -6.592 1.00 0.00 H new ATOM 0 HA GLU A 11 10.576 -9.850 -5.767 1.00 0.00 H new ATOM 0 HB2 GLU A 11 8.048 -8.170 -5.967 1.00 0.00 H new ATOM 0 HB3 GLU A 11 8.114 -9.824 -5.393 1.00 0.00 H new ATOM 0 HG2 GLU A 11 9.325 -7.366 -4.101 1.00 0.00 H new ATOM 0 HG3 GLU A 11 8.048 -8.388 -3.473 1.00 0.00 H new ATOM 181 N GLY A 12 10.146 -9.153 -8.711 1.00 0.00 N ATOM 182 CA GLY A 12 9.975 -9.705 -10.042 1.00 0.00 C ATOM 183 C GLY A 12 8.819 -9.090 -10.813 1.00 0.00 C ATOM 184 O GLY A 12 8.455 -9.586 -11.875 1.00 0.00 O ATOM 0 H GLY A 12 10.718 -8.309 -8.669 1.00 0.00 H new ATOM 0 HA2 GLY A 12 10.896 -9.560 -10.607 1.00 0.00 H new ATOM 0 HA3 GLY A 12 9.816 -10.780 -9.962 1.00 0.00 H new ATOM 188 N SER A 13 8.241 -8.018 -10.292 1.00 0.00 N ATOM 189 CA SER A 13 7.125 -7.365 -10.965 1.00 0.00 C ATOM 190 C SER A 13 7.646 -6.350 -11.982 1.00 0.00 C ATOM 191 O SER A 13 8.715 -5.768 -11.794 1.00 0.00 O ATOM 192 CB SER A 13 6.212 -6.689 -9.936 1.00 0.00 C ATOM 193 OG SER A 13 5.807 -7.613 -8.929 1.00 0.00 O ATOM 0 H SER A 13 8.522 -7.584 -9.413 1.00 0.00 H new ATOM 0 HA SER A 13 6.542 -8.115 -11.499 1.00 0.00 H new ATOM 0 HB2 SER A 13 6.734 -5.850 -9.476 1.00 0.00 H new ATOM 0 HB3 SER A 13 5.333 -6.282 -10.436 1.00 0.00 H new ATOM 0 HG SER A 13 5.141 -7.191 -8.347 1.00 0.00 H new ATOM 199 N GLU A 14 6.891 -6.147 -13.052 1.00 0.00 N ATOM 200 CA GLU A 14 7.338 -5.309 -14.156 1.00 0.00 C ATOM 201 C GLU A 14 6.223 -4.341 -14.558 1.00 0.00 C ATOM 202 O GLU A 14 5.040 -4.649 -14.391 1.00 0.00 O ATOM 203 CB GLU A 14 7.739 -6.214 -15.330 1.00 0.00 C ATOM 204 CG GLU A 14 8.874 -5.679 -16.195 1.00 0.00 C ATOM 205 CD GLU A 14 8.442 -4.581 -17.140 1.00 0.00 C ATOM 206 OE1 GLU A 14 7.759 -4.893 -18.140 1.00 0.00 O ATOM 207 OE2 GLU A 14 8.801 -3.412 -16.901 1.00 0.00 O ATOM 0 H GLU A 14 5.964 -6.552 -13.179 1.00 0.00 H new ATOM 0 HA GLU A 14 8.202 -4.716 -13.856 1.00 0.00 H new ATOM 0 HB2 GLU A 14 8.030 -7.188 -14.936 1.00 0.00 H new ATOM 0 HB3 GLU A 14 6.865 -6.374 -15.961 1.00 0.00 H new ATOM 0 HG2 GLU A 14 9.666 -5.301 -15.549 1.00 0.00 H new ATOM 0 HG3 GLU A 14 9.298 -6.500 -16.773 1.00 0.00 H new ATOM 214 N VAL A 15 6.594 -3.177 -15.079 1.00 0.00 N ATOM 215 CA VAL A 15 5.617 -2.158 -15.442 1.00 0.00 C ATOM 216 C VAL A 15 5.560 -1.961 -16.962 1.00 0.00 C ATOM 217 O VAL A 15 6.490 -1.443 -17.587 1.00 0.00 O ATOM 218 CB VAL A 15 5.900 -0.815 -14.720 1.00 0.00 C ATOM 219 CG1 VAL A 15 7.333 -0.346 -14.943 1.00 0.00 C ATOM 220 CG2 VAL A 15 4.905 0.255 -15.152 1.00 0.00 C ATOM 0 H VAL A 15 7.563 -2.916 -15.259 1.00 0.00 H new ATOM 0 HA VAL A 15 4.641 -2.512 -15.111 1.00 0.00 H new ATOM 0 HB VAL A 15 5.775 -0.987 -13.651 1.00 0.00 H new ATOM 0 HG11 VAL A 15 7.492 0.598 -14.422 1.00 0.00 H new ATOM 0 HG12 VAL A 15 8.025 -1.095 -14.558 1.00 0.00 H new ATOM 0 HG13 VAL A 15 7.508 -0.205 -16.010 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.125 1.187 -14.632 1.00 0.00 H new ATOM 0 HG22 VAL A 15 4.984 0.412 -16.228 1.00 0.00 H new ATOM 0 HG23 VAL A 15 3.893 -0.068 -14.906 1.00 0.00 H new ATOM 230 N ILE A 16 4.448 -2.378 -17.545 1.00 0.00 N ATOM 231 CA ILE A 16 4.261 -2.349 -18.988 1.00 0.00 C ATOM 232 C ILE A 16 3.174 -1.337 -19.366 1.00 0.00 C ATOM 233 O ILE A 16 2.326 -0.998 -18.537 1.00 0.00 O ATOM 234 CB ILE A 16 3.883 -3.765 -19.510 1.00 0.00 C ATOM 235 CG1 ILE A 16 3.682 -3.773 -21.031 1.00 0.00 C ATOM 236 CG2 ILE A 16 2.636 -4.281 -18.807 1.00 0.00 C ATOM 237 CD1 ILE A 16 3.240 -5.117 -21.576 1.00 0.00 C ATOM 0 H ILE A 16 3.648 -2.747 -17.031 1.00 0.00 H new ATOM 0 HA ILE A 16 5.198 -2.042 -19.453 1.00 0.00 H new ATOM 0 HB ILE A 16 4.715 -4.431 -19.282 1.00 0.00 H new ATOM 0 HG12 ILE A 16 2.939 -3.021 -21.295 1.00 0.00 H new ATOM 0 HG13 ILE A 16 4.615 -3.483 -21.514 1.00 0.00 H new ATOM 0 HG21 ILE A 16 2.388 -5.272 -19.186 1.00 0.00 H new ATOM 0 HG22 ILE A 16 2.821 -4.339 -17.734 1.00 0.00 H new ATOM 0 HG23 ILE A 16 1.804 -3.602 -18.996 1.00 0.00 H new ATOM 0 HD11 ILE A 16 3.117 -5.049 -22.657 1.00 0.00 H new ATOM 0 HD12 ILE A 16 3.993 -5.870 -21.343 1.00 0.00 H new ATOM 0 HD13 ILE A 16 2.291 -5.400 -21.120 1.00 0.00 H new ATOM 249 N LEU A 17 3.244 -0.823 -20.595 1.00 0.00 N ATOM 250 CA LEU A 17 2.188 0.019 -21.168 1.00 0.00 C ATOM 251 C LEU A 17 2.188 1.432 -20.572 1.00 0.00 C ATOM 252 O LEU A 17 1.192 2.146 -20.665 1.00 0.00 O ATOM 253 CB LEU A 17 0.813 -0.635 -20.958 1.00 0.00 C ATOM 254 CG LEU A 17 -0.312 -0.108 -21.848 1.00 0.00 C ATOM 255 CD1 LEU A 17 -0.644 -1.124 -22.924 1.00 0.00 C ATOM 256 CD2 LEU A 17 -1.545 0.224 -21.022 1.00 0.00 C ATOM 0 H LEU A 17 4.033 -0.978 -21.222 1.00 0.00 H new ATOM 0 HA LEU A 17 2.392 0.110 -22.235 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.912 -1.708 -21.125 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.522 -0.500 -19.916 1.00 0.00 H new ATOM 0 HG LEU A 17 0.026 0.810 -22.328 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.447 -0.739 -23.553 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.239 -1.308 -23.535 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.963 -2.056 -22.458 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -2.332 0.597 -21.677 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.893 -0.674 -20.511 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.295 0.987 -20.285 1.00 0.00 H new ATOM 268 N ALA A 18 3.305 1.846 -19.985 1.00 0.00 N ATOM 269 CA ALA A 18 3.402 3.184 -19.404 1.00 0.00 C ATOM 270 C ALA A 18 3.238 4.260 -20.479 1.00 0.00 C ATOM 271 O ALA A 18 4.039 4.338 -21.415 1.00 0.00 O ATOM 272 CB ALA A 18 4.727 3.357 -18.677 1.00 0.00 C ATOM 0 H ALA A 18 4.150 1.282 -19.898 1.00 0.00 H new ATOM 0 HA ALA A 18 2.593 3.298 -18.682 1.00 0.00 H new ATOM 0 HB1 ALA A 18 4.780 4.359 -18.251 1.00 0.00 H new ATOM 0 HB2 ALA A 18 4.803 2.619 -17.878 1.00 0.00 H new ATOM 0 HB3 ALA A 18 5.549 3.217 -19.380 1.00 0.00 H new ATOM 278 N THR A 19 2.193 5.073 -20.343 1.00 0.00 N ATOM 279 CA THR A 19 1.886 6.110 -21.321 1.00 0.00 C ATOM 280 C THR A 19 2.969 7.186 -21.381 1.00 0.00 C ATOM 281 O THR A 19 3.601 7.387 -22.419 1.00 0.00 O ATOM 282 CB THR A 19 0.529 6.772 -21.017 1.00 0.00 C ATOM 283 OG1 THR A 19 0.381 6.978 -19.602 1.00 0.00 O ATOM 284 CG2 THR A 19 -0.615 5.919 -21.537 1.00 0.00 C ATOM 0 H THR A 19 1.542 5.032 -19.559 1.00 0.00 H new ATOM 0 HA THR A 19 1.841 5.615 -22.291 1.00 0.00 H new ATOM 0 HB THR A 19 0.501 7.737 -21.523 1.00 0.00 H new ATOM 0 HG1 THR A 19 -0.485 7.401 -19.422 1.00 0.00 H new ATOM 0 HG21 THR A 19 -1.564 6.406 -21.311 1.00 0.00 H new ATOM 0 HG22 THR A 19 -0.517 5.798 -22.616 1.00 0.00 H new ATOM 0 HG23 THR A 19 -0.586 4.940 -21.058 1.00 0.00 H new ATOM 292 N SER A 20 3.185 7.871 -20.270 1.00 0.00 N ATOM 293 CA SER A 20 4.163 8.946 -20.224 1.00 0.00 C ATOM 294 C SER A 20 5.432 8.499 -19.509 1.00 0.00 C ATOM 295 O SER A 20 5.471 8.410 -18.285 1.00 0.00 O ATOM 296 CB SER A 20 3.558 10.174 -19.540 1.00 0.00 C ATOM 297 OG SER A 20 2.987 9.835 -18.287 1.00 0.00 O ATOM 0 H SER A 20 2.698 7.703 -19.390 1.00 0.00 H new ATOM 0 HA SER A 20 4.434 9.212 -21.246 1.00 0.00 H new ATOM 0 HB2 SER A 20 4.329 10.931 -19.398 1.00 0.00 H new ATOM 0 HB3 SER A 20 2.795 10.613 -20.183 1.00 0.00 H new ATOM 0 HG SER A 20 2.011 9.902 -18.343 1.00 0.00 H new ATOM 303 N SER A 21 6.461 8.200 -20.282 1.00 0.00 N ATOM 304 CA SER A 21 7.727 7.759 -19.729 1.00 0.00 C ATOM 305 C SER A 21 8.657 8.944 -19.493 1.00 0.00 C ATOM 306 O SER A 21 8.993 9.676 -20.427 1.00 0.00 O ATOM 307 CB SER A 21 8.378 6.761 -20.684 1.00 0.00 C ATOM 308 OG SER A 21 8.475 7.306 -21.989 1.00 0.00 O ATOM 0 H SER A 21 6.443 8.255 -21.300 1.00 0.00 H new ATOM 0 HA SER A 21 7.543 7.277 -18.769 1.00 0.00 H new ATOM 0 HB2 SER A 21 9.371 6.497 -20.320 1.00 0.00 H new ATOM 0 HB3 SER A 21 7.793 5.842 -20.711 1.00 0.00 H new ATOM 0 HG SER A 21 8.531 8.283 -21.932 1.00 0.00 H new ATOM 314 N ASP A 22 9.052 9.138 -18.245 1.00 0.00 N ATOM 315 CA ASP A 22 10.009 10.179 -17.903 1.00 0.00 C ATOM 316 C ASP A 22 11.403 9.567 -17.819 1.00 0.00 C ATOM 317 O ASP A 22 11.547 8.397 -17.467 1.00 0.00 O ATOM 318 CB ASP A 22 9.626 10.836 -16.575 1.00 0.00 C ATOM 319 CG ASP A 22 10.360 12.140 -16.335 1.00 0.00 C ATOM 320 OD1 ASP A 22 11.539 12.101 -15.927 1.00 0.00 O ATOM 321 OD2 ASP A 22 9.757 13.209 -16.542 1.00 0.00 O ATOM 0 H ASP A 22 8.725 8.588 -17.451 1.00 0.00 H new ATOM 0 HA ASP A 22 10.002 10.950 -18.674 1.00 0.00 H new ATOM 0 HB2 ASP A 22 8.552 11.021 -16.562 1.00 0.00 H new ATOM 0 HB3 ASP A 22 9.841 10.147 -15.758 1.00 0.00 H new ATOM 326 N GLU A 23 12.423 10.334 -18.175 1.00 0.00 N ATOM 327 CA GLU A 23 13.787 9.814 -18.201 1.00 0.00 C ATOM 328 C GLU A 23 14.553 10.196 -16.941 1.00 0.00 C ATOM 329 O GLU A 23 15.554 9.569 -16.591 1.00 0.00 O ATOM 330 CB GLU A 23 14.523 10.323 -19.436 1.00 0.00 C ATOM 331 CG GLU A 23 13.840 9.947 -20.737 1.00 0.00 C ATOM 332 CD GLU A 23 14.597 10.434 -21.948 1.00 0.00 C ATOM 333 OE1 GLU A 23 14.449 11.620 -22.307 1.00 0.00 O ATOM 334 OE2 GLU A 23 15.346 9.632 -22.547 1.00 0.00 O ATOM 0 H GLU A 23 12.336 11.313 -18.449 1.00 0.00 H new ATOM 0 HA GLU A 23 13.728 8.726 -18.242 1.00 0.00 H new ATOM 0 HB2 GLU A 23 14.608 11.408 -19.378 1.00 0.00 H new ATOM 0 HB3 GLU A 23 15.537 9.923 -19.437 1.00 0.00 H new ATOM 0 HG2 GLU A 23 13.736 8.863 -20.789 1.00 0.00 H new ATOM 0 HG3 GLU A 23 12.833 10.365 -20.749 1.00 0.00 H new ATOM 341 N LYS A 24 14.079 11.226 -16.262 1.00 0.00 N ATOM 342 CA LYS A 24 14.707 11.683 -15.037 1.00 0.00 C ATOM 343 C LYS A 24 14.080 10.948 -13.861 1.00 0.00 C ATOM 344 O LYS A 24 14.718 10.713 -12.835 1.00 0.00 O ATOM 345 CB LYS A 24 14.534 13.195 -14.899 1.00 0.00 C ATOM 346 CG LYS A 24 15.362 13.816 -13.789 1.00 0.00 C ATOM 347 CD LYS A 24 15.302 15.333 -13.842 1.00 0.00 C ATOM 348 CE LYS A 24 13.896 15.852 -13.584 1.00 0.00 C ATOM 349 NZ LYS A 24 13.807 17.323 -13.761 1.00 0.00 N ATOM 0 H LYS A 24 13.258 11.763 -16.541 1.00 0.00 H new ATOM 0 HA LYS A 24 15.776 11.469 -15.058 1.00 0.00 H new ATOM 0 HB2 LYS A 24 14.801 13.668 -15.844 1.00 0.00 H new ATOM 0 HB3 LYS A 24 13.482 13.414 -14.718 1.00 0.00 H new ATOM 0 HG2 LYS A 24 14.998 13.469 -12.822 1.00 0.00 H new ATOM 0 HG3 LYS A 24 16.397 13.487 -13.877 1.00 0.00 H new ATOM 0 HD2 LYS A 24 15.985 15.750 -13.102 1.00 0.00 H new ATOM 0 HD3 LYS A 24 15.643 15.676 -14.819 1.00 0.00 H new ATOM 0 HE2 LYS A 24 13.198 15.362 -14.263 1.00 0.00 H new ATOM 0 HE3 LYS A 24 13.593 15.589 -12.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 12.833 17.637 -13.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 14.454 17.792 -13.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 14.072 17.572 -14.735 1.00 0.00 H new ATOM 363 N HIS A 25 12.817 10.597 -14.031 1.00 0.00 N ATOM 364 CA HIS A 25 12.121 9.714 -13.110 1.00 0.00 C ATOM 365 C HIS A 25 11.450 8.600 -13.903 1.00 0.00 C ATOM 366 O HIS A 25 10.262 8.680 -14.221 1.00 0.00 O ATOM 367 CB HIS A 25 11.089 10.476 -12.275 1.00 0.00 C ATOM 368 CG HIS A 25 11.688 11.490 -11.350 1.00 0.00 C ATOM 369 ND1 HIS A 25 12.270 11.158 -10.146 1.00 0.00 N ATOM 370 CD2 HIS A 25 11.808 12.833 -11.461 1.00 0.00 C ATOM 371 CE1 HIS A 25 12.715 12.250 -9.558 1.00 0.00 C ATOM 372 NE2 HIS A 25 12.451 13.283 -10.334 1.00 0.00 N ATOM 0 H HIS A 25 12.244 10.916 -14.812 1.00 0.00 H new ATOM 0 HA HIS A 25 12.846 9.288 -12.416 1.00 0.00 H new ATOM 0 HB2 HIS A 25 10.392 10.978 -12.946 1.00 0.00 H new ATOM 0 HB3 HIS A 25 10.510 9.761 -11.690 1.00 0.00 H new ATOM 0 HD1 HIS A 25 12.345 10.213 -9.768 1.00 0.00 H new ATOM 0 HD2 HIS A 25 11.462 13.440 -12.285 1.00 0.00 H new ATOM 0 HE1 HIS A 25 13.213 12.292 -8.600 1.00 0.00 H new ATOM 380 N PRO A 26 12.222 7.560 -14.263 1.00 0.00 N ATOM 381 CA PRO A 26 11.754 6.482 -15.140 1.00 0.00 C ATOM 382 C PRO A 26 10.589 5.692 -14.551 1.00 0.00 C ATOM 383 O PRO A 26 10.416 5.626 -13.330 1.00 0.00 O ATOM 384 CB PRO A 26 12.984 5.579 -15.296 1.00 0.00 C ATOM 385 CG PRO A 26 13.851 5.902 -14.131 1.00 0.00 C ATOM 386 CD PRO A 26 13.619 7.355 -13.841 1.00 0.00 C ATOM 0 HA PRO A 26 11.373 6.878 -16.081 1.00 0.00 H new ATOM 0 HB2 PRO A 26 12.702 4.526 -15.298 1.00 0.00 H new ATOM 0 HB3 PRO A 26 13.499 5.773 -16.237 1.00 0.00 H new ATOM 0 HG2 PRO A 26 13.595 5.285 -13.270 1.00 0.00 H new ATOM 0 HG3 PRO A 26 14.900 5.711 -14.359 1.00 0.00 H new ATOM 0 HD2 PRO A 26 13.759 7.583 -12.784 1.00 0.00 H new ATOM 0 HD3 PRO A 26 14.306 7.992 -14.398 1.00 0.00 H new ATOM 394 N PRO A 27 9.778 5.064 -15.424 1.00 0.00 N ATOM 395 CA PRO A 27 8.632 4.247 -15.006 1.00 0.00 C ATOM 396 C PRO A 27 9.045 3.099 -14.090 1.00 0.00 C ATOM 397 O PRO A 27 8.236 2.576 -13.330 1.00 0.00 O ATOM 398 CB PRO A 27 8.071 3.703 -16.323 1.00 0.00 C ATOM 399 CG PRO A 27 8.566 4.642 -17.369 1.00 0.00 C ATOM 400 CD PRO A 27 9.909 5.112 -16.892 1.00 0.00 C ATOM 0 HA PRO A 27 7.910 4.828 -14.432 1.00 0.00 H new ATOM 0 HB2 PRO A 27 8.417 2.686 -16.509 1.00 0.00 H new ATOM 0 HB3 PRO A 27 6.982 3.671 -16.305 1.00 0.00 H new ATOM 0 HG2 PRO A 27 8.646 4.144 -18.335 1.00 0.00 H new ATOM 0 HG3 PRO A 27 7.881 5.480 -17.498 1.00 0.00 H new ATOM 0 HD2 PRO A 27 10.712 4.465 -17.246 1.00 0.00 H new ATOM 0 HD3 PRO A 27 10.132 6.119 -17.244 1.00 0.00 H new ATOM 408 N GLU A 28 10.319 2.735 -14.149 1.00 0.00 N ATOM 409 CA GLU A 28 10.859 1.664 -13.318 1.00 0.00 C ATOM 410 C GLU A 28 10.773 2.022 -11.832 1.00 0.00 C ATOM 411 O GLU A 28 10.916 1.162 -10.969 1.00 0.00 O ATOM 412 CB GLU A 28 12.312 1.384 -13.703 1.00 0.00 C ATOM 413 CG GLU A 28 12.496 1.044 -15.173 1.00 0.00 C ATOM 414 CD GLU A 28 13.938 0.739 -15.528 1.00 0.00 C ATOM 415 OE1 GLU A 28 14.718 1.692 -15.742 1.00 0.00 O ATOM 416 OE2 GLU A 28 14.296 -0.452 -15.601 1.00 0.00 O ATOM 0 H GLU A 28 11.003 3.169 -14.768 1.00 0.00 H new ATOM 0 HA GLU A 28 10.261 0.769 -13.488 1.00 0.00 H new ATOM 0 HB2 GLU A 28 12.918 2.257 -13.462 1.00 0.00 H new ATOM 0 HB3 GLU A 28 12.687 0.559 -13.098 1.00 0.00 H new ATOM 0 HG2 GLU A 28 11.875 0.184 -15.423 1.00 0.00 H new ATOM 0 HG3 GLU A 28 12.145 1.878 -15.781 1.00 0.00 H new ATOM 423 N ASN A 29 10.536 3.297 -11.539 1.00 0.00 N ATOM 424 CA ASN A 29 10.436 3.756 -10.158 1.00 0.00 C ATOM 425 C ASN A 29 9.032 3.543 -9.599 1.00 0.00 C ATOM 426 O ASN A 29 8.822 3.644 -8.391 1.00 0.00 O ATOM 427 CB ASN A 29 10.812 5.237 -10.040 1.00 0.00 C ATOM 428 CG ASN A 29 12.264 5.519 -10.387 1.00 0.00 C ATOM 429 OD1 ASN A 29 12.604 6.616 -10.827 1.00 0.00 O ATOM 430 ND2 ASN A 29 13.134 4.538 -10.189 1.00 0.00 N ATOM 0 H ASN A 29 10.410 4.029 -12.238 1.00 0.00 H new ATOM 0 HA ASN A 29 11.139 3.162 -9.574 1.00 0.00 H new ATOM 0 HB2 ASN A 29 10.169 5.821 -10.698 1.00 0.00 H new ATOM 0 HB3 ASN A 29 10.617 5.574 -9.022 1.00 0.00 H new ATOM 0 HD21 ASN A 29 14.121 4.681 -10.403 1.00 0.00 H new ATOM 0 HD22 ASN A 29 12.816 3.641 -9.822 1.00 0.00 H new ATOM 437 N ILE A 30 8.072 3.237 -10.467 1.00 0.00 N ATOM 438 CA ILE A 30 6.696 3.048 -10.020 1.00 0.00 C ATOM 439 C ILE A 30 6.524 1.670 -9.380 1.00 0.00 C ATOM 440 O ILE A 30 5.675 1.480 -8.514 1.00 0.00 O ATOM 441 CB ILE A 30 5.676 3.241 -11.171 1.00 0.00 C ATOM 442 CG1 ILE A 30 4.297 3.571 -10.601 1.00 0.00 C ATOM 443 CG2 ILE A 30 5.594 1.999 -12.053 1.00 0.00 C ATOM 444 CD1 ILE A 30 3.277 3.912 -11.663 1.00 0.00 C ATOM 0 H ILE A 30 8.218 3.116 -11.469 1.00 0.00 H new ATOM 0 HA ILE A 30 6.492 3.815 -9.273 1.00 0.00 H new ATOM 0 HB ILE A 30 6.018 4.071 -11.788 1.00 0.00 H new ATOM 0 HG12 ILE A 30 3.938 2.720 -10.022 1.00 0.00 H new ATOM 0 HG13 ILE A 30 4.388 4.410 -9.912 1.00 0.00 H new ATOM 0 HG21 ILE A 30 4.870 2.166 -12.851 1.00 0.00 H new ATOM 0 HG22 ILE A 30 6.573 1.796 -12.488 1.00 0.00 H new ATOM 0 HG23 ILE A 30 5.280 1.146 -11.452 1.00 0.00 H new ATOM 0 HD11 ILE A 30 2.321 4.136 -11.190 1.00 0.00 H new ATOM 0 HD12 ILE A 30 3.615 4.781 -12.227 1.00 0.00 H new ATOM 0 HD13 ILE A 30 3.158 3.065 -12.339 1.00 0.00 H new ATOM 456 N ILE A 31 7.356 0.723 -9.803 1.00 0.00 N ATOM 457 CA ILE A 31 7.390 -0.605 -9.198 1.00 0.00 C ATOM 458 C ILE A 31 8.464 -0.647 -8.117 1.00 0.00 C ATOM 459 O ILE A 31 8.849 -1.704 -7.622 1.00 0.00 O ATOM 460 CB ILE A 31 7.648 -1.709 -10.251 1.00 0.00 C ATOM 461 CG1 ILE A 31 8.760 -1.288 -11.218 1.00 0.00 C ATOM 462 CG2 ILE A 31 6.369 -2.032 -11.010 1.00 0.00 C ATOM 463 CD1 ILE A 31 9.030 -2.301 -12.312 1.00 0.00 C ATOM 0 H ILE A 31 8.019 0.852 -10.567 1.00 0.00 H new ATOM 0 HA ILE A 31 6.414 -0.799 -8.754 1.00 0.00 H new ATOM 0 HB ILE A 31 7.975 -2.609 -9.730 1.00 0.00 H new ATOM 0 HG12 ILE A 31 8.491 -0.336 -11.675 1.00 0.00 H new ATOM 0 HG13 ILE A 31 9.678 -1.123 -10.653 1.00 0.00 H new ATOM 0 HG21 ILE A 31 6.570 -2.810 -11.746 1.00 0.00 H new ATOM 0 HG22 ILE A 31 5.609 -2.381 -10.311 1.00 0.00 H new ATOM 0 HG23 ILE A 31 6.011 -1.136 -11.517 1.00 0.00 H new ATOM 0 HD11 ILE A 31 9.828 -1.935 -12.958 1.00 0.00 H new ATOM 0 HD12 ILE A 31 9.330 -3.248 -11.865 1.00 0.00 H new ATOM 0 HD13 ILE A 31 8.126 -2.449 -12.902 1.00 0.00 H new ATOM 475 N ASP A 32 8.932 0.535 -7.763 1.00 0.00 N ATOM 476 CA ASP A 32 9.925 0.710 -6.713 1.00 0.00 C ATOM 477 C ASP A 32 9.276 1.366 -5.497 1.00 0.00 C ATOM 478 O ASP A 32 9.176 0.764 -4.427 1.00 0.00 O ATOM 479 CB ASP A 32 11.081 1.572 -7.231 1.00 0.00 C ATOM 480 CG ASP A 32 12.124 1.849 -6.172 1.00 0.00 C ATOM 481 OD1 ASP A 32 13.010 0.999 -5.971 1.00 0.00 O ATOM 482 OD2 ASP A 32 12.065 2.922 -5.539 1.00 0.00 O ATOM 0 H ASP A 32 8.634 1.408 -8.197 1.00 0.00 H new ATOM 0 HA ASP A 32 10.319 -0.263 -6.420 1.00 0.00 H new ATOM 0 HB2 ASP A 32 11.552 1.070 -8.076 1.00 0.00 H new ATOM 0 HB3 ASP A 32 10.686 2.518 -7.602 1.00 0.00 H new ATOM 487 N GLY A 33 8.833 2.605 -5.679 1.00 0.00 N ATOM 488 CA GLY A 33 8.041 3.278 -4.666 1.00 0.00 C ATOM 489 C GLY A 33 8.840 3.762 -3.468 1.00 0.00 C ATOM 490 O GLY A 33 8.274 3.977 -2.395 1.00 0.00 O ATOM 0 H GLY A 33 9.010 3.159 -6.517 1.00 0.00 H new ATOM 0 HA2 GLY A 33 7.539 4.131 -5.122 1.00 0.00 H new ATOM 0 HA3 GLY A 33 7.263 2.598 -4.319 1.00 0.00 H new ATOM 494 N ASN A 34 10.144 3.939 -3.627 1.00 0.00 N ATOM 495 CA ASN A 34 10.958 4.481 -2.542 1.00 0.00 C ATOM 496 C ASN A 34 10.909 6.003 -2.558 1.00 0.00 C ATOM 497 O ASN A 34 10.802 6.615 -3.623 1.00 0.00 O ATOM 498 CB ASN A 34 12.407 3.985 -2.624 1.00 0.00 C ATOM 499 CG ASN A 34 12.551 2.545 -2.167 1.00 0.00 C ATOM 500 OD1 ASN A 34 12.733 2.272 -0.980 1.00 0.00 O ATOM 501 ND2 ASN A 34 12.480 1.614 -3.102 1.00 0.00 N ATOM 0 H ASN A 34 10.657 3.720 -4.481 1.00 0.00 H new ATOM 0 HA ASN A 34 10.543 4.125 -1.599 1.00 0.00 H new ATOM 0 HB2 ASN A 34 12.762 4.075 -3.651 1.00 0.00 H new ATOM 0 HB3 ASN A 34 13.042 4.624 -2.010 1.00 0.00 H new ATOM 0 HD21 ASN A 34 12.577 0.630 -2.851 1.00 0.00 H new ATOM 0 HD22 ASN A 34 12.328 1.879 -4.075 1.00 0.00 H new ATOM 508 N PRO A 35 10.990 6.639 -1.376 1.00 0.00 N ATOM 509 CA PRO A 35 10.806 8.093 -1.225 1.00 0.00 C ATOM 510 C PRO A 35 11.950 8.932 -1.801 1.00 0.00 C ATOM 511 O PRO A 35 12.070 10.117 -1.492 1.00 0.00 O ATOM 512 CB PRO A 35 10.728 8.281 0.291 1.00 0.00 C ATOM 513 CG PRO A 35 11.494 7.136 0.855 1.00 0.00 C ATOM 514 CD PRO A 35 11.264 5.984 -0.081 1.00 0.00 C ATOM 0 HA PRO A 35 9.927 8.431 -1.774 1.00 0.00 H new ATOM 0 HB2 PRO A 35 11.161 9.234 0.594 1.00 0.00 H new ATOM 0 HB3 PRO A 35 9.695 8.275 0.638 1.00 0.00 H new ATOM 0 HG2 PRO A 35 12.555 7.374 0.927 1.00 0.00 H new ATOM 0 HG3 PRO A 35 11.152 6.895 1.862 1.00 0.00 H new ATOM 0 HD2 PRO A 35 12.136 5.333 -0.138 1.00 0.00 H new ATOM 0 HD3 PRO A 35 10.426 5.366 0.241 1.00 0.00 H new ATOM 522 N GLU A 36 12.780 8.326 -2.636 1.00 0.00 N ATOM 523 CA GLU A 36 13.860 9.051 -3.291 1.00 0.00 C ATOM 524 C GLU A 36 13.438 9.480 -4.693 1.00 0.00 C ATOM 525 O GLU A 36 13.713 10.600 -5.123 1.00 0.00 O ATOM 526 CB GLU A 36 15.127 8.193 -3.356 1.00 0.00 C ATOM 527 CG GLU A 36 15.715 7.880 -1.992 1.00 0.00 C ATOM 528 CD GLU A 36 16.974 7.046 -2.079 1.00 0.00 C ATOM 529 OE1 GLU A 36 18.061 7.624 -2.311 1.00 0.00 O ATOM 530 OE2 GLU A 36 16.885 5.811 -1.921 1.00 0.00 O ATOM 0 H GLU A 36 12.728 7.336 -2.876 1.00 0.00 H new ATOM 0 HA GLU A 36 14.079 9.943 -2.704 1.00 0.00 H new ATOM 0 HB2 GLU A 36 14.898 7.258 -3.868 1.00 0.00 H new ATOM 0 HB3 GLU A 36 15.876 8.709 -3.956 1.00 0.00 H new ATOM 0 HG2 GLU A 36 15.937 8.813 -1.473 1.00 0.00 H new ATOM 0 HG3 GLU A 36 14.974 7.351 -1.394 1.00 0.00 H new ATOM 537 N THR A 37 12.751 8.590 -5.394 1.00 0.00 N ATOM 538 CA THR A 37 12.314 8.864 -6.750 1.00 0.00 C ATOM 539 C THR A 37 11.039 8.090 -7.070 1.00 0.00 C ATOM 540 O THR A 37 10.873 6.942 -6.652 1.00 0.00 O ATOM 541 CB THR A 37 13.417 8.520 -7.781 1.00 0.00 C ATOM 542 OG1 THR A 37 12.941 8.747 -9.118 1.00 0.00 O ATOM 543 CG2 THR A 37 13.877 7.075 -7.636 1.00 0.00 C ATOM 0 H THR A 37 12.485 7.670 -5.043 1.00 0.00 H new ATOM 0 HA THR A 37 12.107 9.932 -6.819 1.00 0.00 H new ATOM 0 HB THR A 37 14.268 9.173 -7.587 1.00 0.00 H new ATOM 0 HG1 THR A 37 12.894 7.894 -9.598 1.00 0.00 H new ATOM 0 HG21 THR A 37 14.651 6.864 -8.373 1.00 0.00 H new ATOM 0 HG22 THR A 37 14.278 6.919 -6.634 1.00 0.00 H new ATOM 0 HG23 THR A 37 13.031 6.406 -7.796 1.00 0.00 H new ATOM 551 N PHE A 38 10.137 8.735 -7.794 1.00 0.00 N ATOM 552 CA PHE A 38 8.884 8.119 -8.193 1.00 0.00 C ATOM 553 C PHE A 38 8.469 8.623 -9.569 1.00 0.00 C ATOM 554 O PHE A 38 9.058 9.571 -10.088 1.00 0.00 O ATOM 555 CB PHE A 38 7.788 8.402 -7.156 1.00 0.00 C ATOM 556 CG PHE A 38 7.580 9.862 -6.848 1.00 0.00 C ATOM 557 CD1 PHE A 38 6.679 10.618 -7.582 1.00 0.00 C ATOM 558 CD2 PHE A 38 8.279 10.474 -5.819 1.00 0.00 C ATOM 559 CE1 PHE A 38 6.480 11.955 -7.295 1.00 0.00 C ATOM 560 CE2 PHE A 38 8.084 11.812 -5.529 1.00 0.00 C ATOM 561 CZ PHE A 38 7.183 12.552 -6.269 1.00 0.00 C ATOM 0 H PHE A 38 10.253 9.695 -8.119 1.00 0.00 H new ATOM 0 HA PHE A 38 9.026 7.040 -8.247 1.00 0.00 H new ATOM 0 HB2 PHE A 38 6.848 7.982 -7.516 1.00 0.00 H new ATOM 0 HB3 PHE A 38 8.037 7.881 -6.232 1.00 0.00 H new ATOM 0 HD1 PHE A 38 6.126 10.157 -8.387 1.00 0.00 H new ATOM 0 HD2 PHE A 38 8.984 9.899 -5.237 1.00 0.00 H new ATOM 0 HE1 PHE A 38 5.774 12.532 -7.874 1.00 0.00 H new ATOM 0 HE2 PHE A 38 8.635 12.277 -4.725 1.00 0.00 H new ATOM 0 HZ PHE A 38 7.029 13.597 -6.045 1.00 0.00 H new ATOM 571 N TRP A 39 7.457 7.997 -10.147 1.00 0.00 N ATOM 572 CA TRP A 39 7.022 8.319 -11.500 1.00 0.00 C ATOM 573 C TRP A 39 6.001 9.458 -11.491 1.00 0.00 C ATOM 574 O TRP A 39 5.095 9.493 -10.655 1.00 0.00 O ATOM 575 CB TRP A 39 6.436 7.064 -12.159 1.00 0.00 C ATOM 576 CG TRP A 39 5.858 7.296 -13.523 1.00 0.00 C ATOM 577 CD1 TRP A 39 6.541 7.456 -14.697 1.00 0.00 C ATOM 578 CD2 TRP A 39 4.467 7.380 -13.855 1.00 0.00 C ATOM 579 NE1 TRP A 39 5.656 7.637 -15.731 1.00 0.00 N ATOM 580 CE2 TRP A 39 4.381 7.594 -15.240 1.00 0.00 C ATOM 581 CE3 TRP A 39 3.287 7.293 -13.112 1.00 0.00 C ATOM 582 CZ2 TRP A 39 3.162 7.728 -15.899 1.00 0.00 C ATOM 583 CZ3 TRP A 39 2.079 7.426 -13.766 1.00 0.00 C ATOM 584 CH2 TRP A 39 2.025 7.638 -15.148 1.00 0.00 C ATOM 0 H TRP A 39 6.917 7.257 -9.698 1.00 0.00 H new ATOM 0 HA TRP A 39 7.882 8.656 -12.078 1.00 0.00 H new ATOM 0 HB2 TRP A 39 7.218 6.308 -12.232 1.00 0.00 H new ATOM 0 HB3 TRP A 39 5.659 6.657 -11.512 1.00 0.00 H new ATOM 0 HD1 TRP A 39 7.616 7.442 -14.796 1.00 0.00 H new ATOM 0 HE1 TRP A 39 5.909 7.781 -16.709 1.00 0.00 H new ATOM 0 HE3 TRP A 39 3.320 7.125 -12.046 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 3.117 7.897 -16.965 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 1.160 7.365 -13.202 1.00 0.00 H new ATOM 0 HH2 TRP A 39 1.064 7.732 -15.631 1.00 0.00 H new ATOM 595 N THR A 40 6.162 10.394 -12.415 1.00 0.00 N ATOM 596 CA THR A 40 5.254 11.524 -12.532 1.00 0.00 C ATOM 597 C THR A 40 4.637 11.585 -13.923 1.00 0.00 C ATOM 598 O THR A 40 5.313 11.337 -14.922 1.00 0.00 O ATOM 599 CB THR A 40 5.980 12.851 -12.240 1.00 0.00 C ATOM 600 OG1 THR A 40 7.209 12.912 -12.975 1.00 0.00 O ATOM 601 CG2 THR A 40 6.262 13.002 -10.753 1.00 0.00 C ATOM 0 H THR A 40 6.919 10.392 -13.099 1.00 0.00 H new ATOM 0 HA THR A 40 4.463 11.382 -11.795 1.00 0.00 H new ATOM 0 HB THR A 40 5.331 13.669 -12.553 1.00 0.00 H new ATOM 0 HG1 THR A 40 7.662 13.760 -12.784 1.00 0.00 H new ATOM 0 HG21 THR A 40 6.775 13.947 -10.574 1.00 0.00 H new ATOM 0 HG22 THR A 40 5.322 12.989 -10.201 1.00 0.00 H new ATOM 0 HG23 THR A 40 6.891 12.178 -10.417 1.00 0.00 H new ATOM 609 N THR A 41 3.355 11.905 -13.980 1.00 0.00 N ATOM 610 CA THR A 41 2.662 12.048 -15.247 1.00 0.00 C ATOM 611 C THR A 41 3.032 13.378 -15.901 1.00 0.00 C ATOM 612 O THR A 41 3.148 14.398 -15.222 1.00 0.00 O ATOM 613 CB THR A 41 1.138 11.983 -15.037 1.00 0.00 C ATOM 614 OG1 THR A 41 0.824 10.895 -14.159 1.00 0.00 O ATOM 615 CG2 THR A 41 0.408 11.794 -16.358 1.00 0.00 C ATOM 0 H THR A 41 2.772 12.071 -13.160 1.00 0.00 H new ATOM 0 HA THR A 41 2.965 11.229 -15.899 1.00 0.00 H new ATOM 0 HB THR A 41 0.812 12.926 -14.598 1.00 0.00 H new ATOM 0 HG1 THR A 41 -0.147 10.761 -14.138 1.00 0.00 H new ATOM 0 HG21 THR A 41 -0.666 11.752 -16.177 1.00 0.00 H new ATOM 0 HG22 THR A 41 0.632 12.630 -17.020 1.00 0.00 H new ATOM 0 HG23 THR A 41 0.734 10.864 -16.824 1.00 0.00 H new ATOM 623 N THR A 42 3.231 13.362 -17.213 1.00 0.00 N ATOM 624 CA THR A 42 3.624 14.563 -17.939 1.00 0.00 C ATOM 625 C THR A 42 2.435 15.497 -18.169 1.00 0.00 C ATOM 626 O THR A 42 2.602 16.641 -18.592 1.00 0.00 O ATOM 627 CB THR A 42 4.254 14.202 -19.295 1.00 0.00 C ATOM 628 OG1 THR A 42 3.375 13.333 -20.024 1.00 0.00 O ATOM 629 CG2 THR A 42 5.604 13.524 -19.107 1.00 0.00 C ATOM 0 H THR A 42 3.127 12.531 -17.796 1.00 0.00 H new ATOM 0 HA THR A 42 4.360 15.080 -17.323 1.00 0.00 H new ATOM 0 HB THR A 42 4.407 15.124 -19.856 1.00 0.00 H new ATOM 0 HG1 THR A 42 3.780 13.107 -20.887 1.00 0.00 H new ATOM 0 HG21 THR A 42 6.027 13.280 -20.081 1.00 0.00 H new ATOM 0 HG22 THR A 42 6.278 14.197 -18.577 1.00 0.00 H new ATOM 0 HG23 THR A 42 5.474 12.610 -18.528 1.00 0.00 H new ATOM 637 N GLY A 43 1.238 15.006 -17.874 1.00 0.00 N ATOM 638 CA GLY A 43 0.041 15.803 -18.067 1.00 0.00 C ATOM 639 C GLY A 43 -0.875 15.222 -19.123 1.00 0.00 C ATOM 640 O GLY A 43 -1.961 15.743 -19.366 1.00 0.00 O ATOM 0 H GLY A 43 1.074 14.070 -17.504 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -0.499 15.878 -17.123 1.00 0.00 H new ATOM 0 HA3 GLY A 43 0.324 16.816 -18.353 1.00 0.00 H new ATOM 644 N MET A 44 -0.436 14.139 -19.751 1.00 0.00 N ATOM 645 CA MET A 44 -1.238 13.470 -20.769 1.00 0.00 C ATOM 646 C MET A 44 -2.315 12.602 -20.124 1.00 0.00 C ATOM 647 O MET A 44 -2.052 11.477 -19.692 1.00 0.00 O ATOM 648 CB MET A 44 -0.347 12.628 -21.689 1.00 0.00 C ATOM 649 CG MET A 44 0.543 13.457 -22.602 1.00 0.00 C ATOM 650 SD MET A 44 1.643 12.446 -23.615 1.00 0.00 S ATOM 651 CE MET A 44 2.432 13.706 -24.616 1.00 0.00 C ATOM 0 H MET A 44 0.470 13.705 -19.574 1.00 0.00 H new ATOM 0 HA MET A 44 -1.731 14.233 -21.371 1.00 0.00 H new ATOM 0 HB2 MET A 44 0.279 11.978 -21.078 1.00 0.00 H new ATOM 0 HB3 MET A 44 -0.978 11.982 -22.300 1.00 0.00 H new ATOM 0 HG2 MET A 44 -0.082 14.069 -23.252 1.00 0.00 H new ATOM 0 HG3 MET A 44 1.139 14.140 -21.997 1.00 0.00 H new ATOM 0 HE1 MET A 44 3.143 13.238 -25.296 1.00 0.00 H new ATOM 0 HE2 MET A 44 1.676 14.239 -25.192 1.00 0.00 H new ATOM 0 HE3 MET A 44 2.958 14.408 -23.969 1.00 0.00 H new ATOM 661 N PHE A 45 -3.520 13.149 -20.037 1.00 0.00 N ATOM 662 CA PHE A 45 -4.654 12.426 -19.481 1.00 0.00 C ATOM 663 C PHE A 45 -5.624 12.016 -20.587 1.00 0.00 C ATOM 664 O PHE A 45 -5.755 12.709 -21.596 1.00 0.00 O ATOM 665 CB PHE A 45 -5.382 13.279 -18.439 1.00 0.00 C ATOM 666 CG PHE A 45 -4.655 13.380 -17.128 1.00 0.00 C ATOM 667 CD1 PHE A 45 -4.851 12.425 -16.144 1.00 0.00 C ATOM 668 CD2 PHE A 45 -3.783 14.427 -16.878 1.00 0.00 C ATOM 669 CE1 PHE A 45 -4.187 12.510 -14.937 1.00 0.00 C ATOM 670 CE2 PHE A 45 -3.117 14.516 -15.671 1.00 0.00 C ATOM 671 CZ PHE A 45 -3.318 13.557 -14.700 1.00 0.00 C ATOM 0 H PHE A 45 -3.737 14.096 -20.346 1.00 0.00 H new ATOM 0 HA PHE A 45 -4.275 11.527 -18.994 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -5.529 14.281 -18.841 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -6.372 12.857 -18.264 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -5.531 11.605 -16.323 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -3.622 15.181 -17.634 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -4.347 11.758 -14.178 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.439 15.336 -15.488 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.797 13.625 -13.756 1.00 0.00 H new ATOM 681 N PRO A 46 -6.305 10.870 -20.421 1.00 0.00 N ATOM 682 CA PRO A 46 -6.132 10.002 -19.256 1.00 0.00 C ATOM 683 C PRO A 46 -4.850 9.179 -19.339 1.00 0.00 C ATOM 684 O PRO A 46 -4.329 8.925 -20.430 1.00 0.00 O ATOM 685 CB PRO A 46 -7.359 9.094 -19.313 1.00 0.00 C ATOM 686 CG PRO A 46 -7.693 9.010 -20.763 1.00 0.00 C ATOM 687 CD PRO A 46 -7.308 10.337 -21.363 1.00 0.00 C ATOM 0 HA PRO A 46 -6.047 10.567 -18.328 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -7.144 8.110 -18.897 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -8.187 9.509 -18.738 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -7.149 8.195 -21.241 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -8.755 8.812 -20.907 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -6.894 10.218 -22.364 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -8.168 11.001 -21.450 1.00 0.00 H new ATOM 695 N GLN A 47 -4.344 8.767 -18.192 1.00 0.00 N ATOM 696 CA GLN A 47 -3.116 7.993 -18.138 1.00 0.00 C ATOM 697 C GLN A 47 -3.425 6.545 -17.799 1.00 0.00 C ATOM 698 O GLN A 47 -4.338 6.265 -17.020 1.00 0.00 O ATOM 699 CB GLN A 47 -2.161 8.585 -17.103 1.00 0.00 C ATOM 700 CG GLN A 47 -2.743 8.605 -15.700 1.00 0.00 C ATOM 701 CD GLN A 47 -1.780 9.163 -14.682 1.00 0.00 C ATOM 702 OE1 GLN A 47 -1.762 10.362 -14.420 1.00 0.00 O ATOM 703 NE2 GLN A 47 -0.972 8.297 -14.097 1.00 0.00 N ATOM 0 H GLN A 47 -4.765 8.955 -17.282 1.00 0.00 H new ATOM 0 HA GLN A 47 -2.636 8.030 -19.116 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -1.236 8.008 -17.098 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -1.901 9.602 -17.397 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -3.655 9.202 -15.697 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -3.024 7.592 -15.412 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -1.019 7.308 -14.344 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -0.301 8.617 -13.399 1.00 0.00 H new ATOM 712 N GLU A 48 -2.673 5.632 -18.384 1.00 0.00 N ATOM 713 CA GLU A 48 -2.898 4.219 -18.170 1.00 0.00 C ATOM 714 C GLU A 48 -1.573 3.473 -18.141 1.00 0.00 C ATOM 715 O GLU A 48 -0.716 3.682 -18.996 1.00 0.00 O ATOM 716 CB GLU A 48 -3.811 3.658 -19.267 1.00 0.00 C ATOM 717 CG GLU A 48 -3.311 3.943 -20.672 1.00 0.00 C ATOM 718 CD GLU A 48 -4.278 3.500 -21.746 1.00 0.00 C ATOM 719 OE1 GLU A 48 -4.231 2.318 -22.139 1.00 0.00 O ATOM 720 OE2 GLU A 48 -5.077 4.341 -22.214 1.00 0.00 O ATOM 0 H GLU A 48 -1.899 5.847 -19.013 1.00 0.00 H new ATOM 0 HA GLU A 48 -3.390 4.082 -17.207 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -3.906 2.580 -19.135 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -4.808 4.082 -19.151 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.127 5.012 -20.776 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.356 3.439 -20.821 1.00 0.00 H new ATOM 727 N PHE A 49 -1.393 2.642 -17.130 1.00 0.00 N ATOM 728 CA PHE A 49 -0.205 1.805 -17.040 1.00 0.00 C ATOM 729 C PHE A 49 -0.548 0.459 -16.417 1.00 0.00 C ATOM 730 O PHE A 49 -1.397 0.377 -15.528 1.00 0.00 O ATOM 731 CB PHE A 49 0.905 2.509 -16.245 1.00 0.00 C ATOM 732 CG PHE A 49 0.483 3.006 -14.889 1.00 0.00 C ATOM 733 CD1 PHE A 49 0.606 2.200 -13.770 1.00 0.00 C ATOM 734 CD2 PHE A 49 -0.027 4.287 -14.735 1.00 0.00 C ATOM 735 CE1 PHE A 49 0.229 2.659 -12.523 1.00 0.00 C ATOM 736 CE2 PHE A 49 -0.408 4.751 -13.492 1.00 0.00 C ATOM 737 CZ PHE A 49 -0.279 3.937 -12.385 1.00 0.00 C ATOM 0 H PHE A 49 -2.052 2.527 -16.360 1.00 0.00 H new ATOM 0 HA PHE A 49 0.167 1.631 -18.050 1.00 0.00 H new ATOM 0 HB2 PHE A 49 1.739 1.819 -16.121 1.00 0.00 H new ATOM 0 HB3 PHE A 49 1.273 3.353 -16.829 1.00 0.00 H new ATOM 0 HD1 PHE A 49 1.001 1.200 -13.873 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -0.127 4.929 -15.598 1.00 0.00 H new ATOM 0 HE1 PHE A 49 0.331 2.021 -11.658 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -0.806 5.749 -13.386 1.00 0.00 H new ATOM 0 HZ PHE A 49 -0.575 4.298 -11.411 1.00 0.00 H new ATOM 747 N ILE A 50 0.097 -0.590 -16.899 1.00 0.00 N ATOM 748 CA ILE A 50 -0.184 -1.939 -16.437 1.00 0.00 C ATOM 749 C ILE A 50 0.976 -2.481 -15.613 1.00 0.00 C ATOM 750 O ILE A 50 2.064 -2.717 -16.129 1.00 0.00 O ATOM 751 CB ILE A 50 -0.453 -2.904 -17.617 1.00 0.00 C ATOM 752 CG1 ILE A 50 -1.594 -2.385 -18.492 1.00 0.00 C ATOM 753 CG2 ILE A 50 -0.774 -4.299 -17.100 1.00 0.00 C ATOM 754 CD1 ILE A 50 -1.910 -3.273 -19.678 1.00 0.00 C ATOM 0 H ILE A 50 0.822 -0.533 -17.614 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.080 -1.880 -15.819 1.00 0.00 H new ATOM 0 HB ILE A 50 0.449 -2.957 -18.227 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -2.490 -2.281 -17.880 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.337 -1.389 -18.854 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -0.961 -4.965 -17.942 1.00 0.00 H new ATOM 0 HG22 ILE A 50 0.069 -4.675 -16.520 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.660 -4.257 -16.467 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -2.730 -2.838 -20.250 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -1.029 -3.358 -20.314 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -2.199 -4.263 -19.325 1.00 0.00 H new ATOM 766 N ILE A 51 0.748 -2.672 -14.332 1.00 0.00 N ATOM 767 CA ILE A 51 1.738 -3.295 -13.480 1.00 0.00 C ATOM 768 C ILE A 51 1.465 -4.790 -13.405 1.00 0.00 C ATOM 769 O ILE A 51 0.433 -5.218 -12.885 1.00 0.00 O ATOM 770 CB ILE A 51 1.748 -2.688 -12.061 1.00 0.00 C ATOM 771 CG1 ILE A 51 2.052 -1.190 -12.131 1.00 0.00 C ATOM 772 CG2 ILE A 51 2.770 -3.400 -11.181 1.00 0.00 C ATOM 773 CD1 ILE A 51 2.055 -0.509 -10.780 1.00 0.00 C ATOM 0 H ILE A 51 -0.114 -2.405 -13.857 1.00 0.00 H new ATOM 0 HA ILE A 51 2.720 -3.113 -13.916 1.00 0.00 H new ATOM 0 HB ILE A 51 0.762 -2.824 -11.617 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.024 -1.047 -12.603 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.313 -0.707 -12.770 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.763 -2.958 -10.185 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.516 -4.458 -11.111 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.763 -3.294 -11.618 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.278 0.550 -10.907 1.00 0.00 H new ATOM 0 HD12 ILE A 51 1.076 -0.621 -10.314 1.00 0.00 H new ATOM 0 HD13 ILE A 51 2.814 -0.965 -10.144 1.00 0.00 H new ATOM 785 N CYS A 52 2.367 -5.575 -13.961 1.00 0.00 N ATOM 786 CA CYS A 52 2.214 -7.016 -13.957 1.00 0.00 C ATOM 787 C CYS A 52 3.021 -7.623 -12.822 1.00 0.00 C ATOM 788 O CYS A 52 4.195 -7.298 -12.635 1.00 0.00 O ATOM 789 CB CYS A 52 2.641 -7.610 -15.301 1.00 0.00 C ATOM 790 SG CYS A 52 4.315 -7.168 -15.822 1.00 0.00 S ATOM 0 H CYS A 52 3.213 -5.239 -14.421 1.00 0.00 H new ATOM 0 HA CYS A 52 1.161 -7.254 -13.803 1.00 0.00 H new ATOM 0 HB2 CYS A 52 2.568 -8.696 -15.243 1.00 0.00 H new ATOM 0 HB3 CYS A 52 1.938 -7.283 -16.067 1.00 0.00 H new ATOM 0 HG CYS A 52 4.539 -5.917 -15.547 1.00 0.00 H new ATOM 796 N PHE A 53 2.380 -8.495 -12.060 1.00 0.00 N ATOM 797 CA PHE A 53 3.023 -9.126 -10.919 1.00 0.00 C ATOM 798 C PHE A 53 4.050 -10.155 -11.371 1.00 0.00 C ATOM 799 O PHE A 53 4.982 -10.471 -10.630 1.00 0.00 O ATOM 800 CB PHE A 53 1.977 -9.784 -10.019 1.00 0.00 C ATOM 801 CG PHE A 53 1.004 -8.804 -9.430 1.00 0.00 C ATOM 802 CD1 PHE A 53 1.320 -8.108 -8.278 1.00 0.00 C ATOM 803 CD2 PHE A 53 -0.222 -8.574 -10.034 1.00 0.00 C ATOM 804 CE1 PHE A 53 0.435 -7.200 -7.735 1.00 0.00 C ATOM 805 CE2 PHE A 53 -1.112 -7.666 -9.497 1.00 0.00 C ATOM 806 CZ PHE A 53 -0.783 -6.978 -8.345 1.00 0.00 C ATOM 0 H PHE A 53 1.413 -8.782 -12.212 1.00 0.00 H new ATOM 0 HA PHE A 53 3.542 -8.353 -10.352 1.00 0.00 H new ATOM 0 HB2 PHE A 53 1.429 -10.529 -10.595 1.00 0.00 H new ATOM 0 HB3 PHE A 53 2.483 -10.314 -9.212 1.00 0.00 H new ATOM 0 HD1 PHE A 53 2.272 -8.277 -7.797 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -0.484 -9.111 -10.934 1.00 0.00 H new ATOM 0 HE1 PHE A 53 0.695 -6.664 -6.834 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -2.064 -7.494 -9.977 1.00 0.00 H new ATOM 0 HZ PHE A 53 -1.478 -6.267 -7.922 1.00 0.00 H new ATOM 816 N HIS A 54 3.863 -10.677 -12.587 1.00 0.00 N ATOM 817 CA HIS A 54 4.782 -11.654 -13.179 1.00 0.00 C ATOM 818 C HIS A 54 4.714 -12.977 -12.414 1.00 0.00 C ATOM 819 O HIS A 54 5.579 -13.841 -12.551 1.00 0.00 O ATOM 820 CB HIS A 54 6.214 -11.104 -13.169 1.00 0.00 C ATOM 821 CG HIS A 54 7.094 -11.659 -14.240 1.00 0.00 C ATOM 822 ND1 HIS A 54 7.890 -12.771 -14.073 1.00 0.00 N ATOM 823 CD2 HIS A 54 7.305 -11.232 -15.502 1.00 0.00 C ATOM 824 CE1 HIS A 54 8.552 -13.005 -15.191 1.00 0.00 C ATOM 825 NE2 HIS A 54 8.214 -12.085 -16.073 1.00 0.00 N ATOM 0 H HIS A 54 3.074 -10.436 -13.187 1.00 0.00 H new ATOM 0 HA HIS A 54 4.485 -11.836 -14.212 1.00 0.00 H new ATOM 0 HB2 HIS A 54 6.175 -10.020 -13.273 1.00 0.00 H new ATOM 0 HB3 HIS A 54 6.665 -11.315 -12.199 1.00 0.00 H new ATOM 0 HD2 HIS A 54 6.844 -10.377 -15.975 1.00 0.00 H new ATOM 0 HE1 HIS A 54 9.251 -13.812 -15.355 1.00 0.00 H new ATOM 0 HE2 HIS A 54 8.571 -12.019 -17.026 1.00 0.00 H new ATOM 833 N LYS A 55 3.666 -13.125 -11.619 1.00 0.00 N ATOM 834 CA LYS A 55 3.490 -14.289 -10.769 1.00 0.00 C ATOM 835 C LYS A 55 2.040 -14.380 -10.323 1.00 0.00 C ATOM 836 O LYS A 55 1.334 -13.372 -10.296 1.00 0.00 O ATOM 837 CB LYS A 55 4.423 -14.203 -9.552 1.00 0.00 C ATOM 838 CG LYS A 55 4.381 -12.855 -8.846 1.00 0.00 C ATOM 839 CD LYS A 55 5.410 -12.759 -7.732 1.00 0.00 C ATOM 840 CE LYS A 55 5.511 -11.338 -7.192 1.00 0.00 C ATOM 841 NZ LYS A 55 6.120 -10.408 -8.185 1.00 0.00 N ATOM 0 H LYS A 55 2.914 -12.440 -11.546 1.00 0.00 H new ATOM 0 HA LYS A 55 3.744 -15.187 -11.332 1.00 0.00 H new ATOM 0 HB2 LYS A 55 4.153 -14.984 -8.842 1.00 0.00 H new ATOM 0 HB3 LYS A 55 5.445 -14.404 -9.873 1.00 0.00 H new ATOM 0 HG2 LYS A 55 4.558 -12.061 -9.571 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.385 -12.694 -8.433 1.00 0.00 H new ATOM 0 HD2 LYS A 55 5.139 -13.439 -6.924 1.00 0.00 H new ATOM 0 HD3 LYS A 55 6.383 -13.079 -8.105 1.00 0.00 H new ATOM 0 HE2 LYS A 55 4.517 -10.981 -6.922 1.00 0.00 H new ATOM 0 HE3 LYS A 55 6.108 -11.338 -6.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 5.689 -9.467 -8.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 7.143 -10.339 -8.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 5.953 -10.769 -9.146 1.00 0.00 H new ATOM 855 N HIS A 56 1.599 -15.580 -9.980 1.00 0.00 N ATOM 856 CA HIS A 56 0.231 -15.780 -9.533 1.00 0.00 C ATOM 857 C HIS A 56 0.134 -15.435 -8.055 1.00 0.00 C ATOM 858 O HIS A 56 0.594 -16.186 -7.199 1.00 0.00 O ATOM 859 CB HIS A 56 -0.198 -17.236 -9.783 1.00 0.00 C ATOM 860 CG HIS A 56 -1.612 -17.561 -9.384 1.00 0.00 C ATOM 861 ND1 HIS A 56 -2.161 -18.814 -9.545 1.00 0.00 N ATOM 862 CD2 HIS A 56 -2.585 -16.800 -8.823 1.00 0.00 C ATOM 863 CE1 HIS A 56 -3.403 -18.810 -9.097 1.00 0.00 C ATOM 864 NE2 HIS A 56 -3.687 -17.599 -8.651 1.00 0.00 N ATOM 0 H HIS A 56 2.167 -16.427 -10.003 1.00 0.00 H new ATOM 0 HA HIS A 56 -0.439 -15.129 -10.094 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -0.076 -17.458 -10.843 1.00 0.00 H new ATOM 0 HB3 HIS A 56 0.478 -17.896 -9.239 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -2.506 -15.756 -8.560 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -4.075 -19.656 -9.095 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -4.577 -17.307 -8.247 1.00 0.00 H new ATOM 872 N VAL A 57 -0.465 -14.292 -7.765 1.00 0.00 N ATOM 873 CA VAL A 57 -0.571 -13.815 -6.396 1.00 0.00 C ATOM 874 C VAL A 57 -2.025 -13.672 -5.979 1.00 0.00 C ATOM 875 O VAL A 57 -2.936 -13.768 -6.805 1.00 0.00 O ATOM 876 CB VAL A 57 0.130 -12.449 -6.213 1.00 0.00 C ATOM 877 CG1 VAL A 57 1.610 -12.553 -6.539 1.00 0.00 C ATOM 878 CG2 VAL A 57 -0.536 -11.381 -7.071 1.00 0.00 C ATOM 0 H VAL A 57 -0.886 -13.676 -8.461 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.078 -14.558 -5.768 1.00 0.00 H new ATOM 0 HB VAL A 57 0.032 -12.156 -5.168 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.082 -11.580 -6.403 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.079 -13.279 -5.875 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.733 -12.875 -7.573 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -0.027 -10.428 -6.926 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.477 -11.669 -8.121 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.582 -11.281 -6.781 1.00 0.00 H new ATOM 888 N ARG A 58 -2.232 -13.457 -4.693 1.00 0.00 N ATOM 889 CA ARG A 58 -3.545 -13.157 -4.168 1.00 0.00 C ATOM 890 C ARG A 58 -3.453 -11.910 -3.307 1.00 0.00 C ATOM 891 O ARG A 58 -2.747 -11.894 -2.294 1.00 0.00 O ATOM 892 CB ARG A 58 -4.092 -14.339 -3.364 1.00 0.00 C ATOM 893 CG ARG A 58 -5.489 -14.108 -2.813 1.00 0.00 C ATOM 894 CD ARG A 58 -6.056 -15.374 -2.192 1.00 0.00 C ATOM 895 NE ARG A 58 -7.395 -15.168 -1.645 1.00 0.00 N ATOM 896 CZ ARG A 58 -8.472 -15.852 -2.027 1.00 0.00 C ATOM 897 NH1 ARG A 58 -8.380 -16.753 -3.000 1.00 0.00 N ATOM 898 NH2 ARG A 58 -9.638 -15.631 -1.437 1.00 0.00 N ATOM 0 H ARG A 58 -1.496 -13.486 -3.988 1.00 0.00 H new ATOM 0 HA ARG A 58 -4.236 -12.978 -4.992 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -4.103 -15.225 -3.999 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -3.415 -14.549 -2.536 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -5.460 -13.315 -2.065 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -6.146 -13.768 -3.613 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -6.090 -16.162 -2.944 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -5.391 -15.718 -1.400 1.00 0.00 H new ATOM 0 HE ARG A 58 -7.512 -14.455 -0.925 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -7.483 -16.922 -3.456 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -9.206 -17.276 -3.291 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -9.709 -14.938 -0.692 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -10.464 -16.154 -1.728 1.00 0.00 H new ATOM 912 N ILE A 59 -4.149 -10.866 -3.724 1.00 0.00 N ATOM 913 CA ILE A 59 -4.081 -9.585 -3.044 1.00 0.00 C ATOM 914 C ILE A 59 -5.147 -9.527 -1.964 1.00 0.00 C ATOM 915 O ILE A 59 -6.246 -10.039 -2.151 1.00 0.00 O ATOM 916 CB ILE A 59 -4.291 -8.417 -4.035 1.00 0.00 C ATOM 917 CG1 ILE A 59 -3.280 -8.505 -5.180 1.00 0.00 C ATOM 918 CG2 ILE A 59 -4.171 -7.075 -3.322 1.00 0.00 C ATOM 919 CD1 ILE A 59 -3.496 -7.460 -6.252 1.00 0.00 C ATOM 0 H ILE A 59 -4.770 -10.881 -4.533 1.00 0.00 H new ATOM 0 HA ILE A 59 -3.091 -9.486 -2.599 1.00 0.00 H new ATOM 0 HB ILE A 59 -5.296 -8.494 -4.449 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -2.274 -8.398 -4.776 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -3.338 -9.496 -5.631 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -4.322 -6.268 -4.038 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -4.926 -7.011 -2.538 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -3.179 -6.986 -2.879 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -2.745 -7.579 -7.033 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -4.490 -7.581 -6.683 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -3.409 -6.466 -5.814 1.00 0.00 H new ATOM 931 N GLU A 60 -4.803 -8.939 -0.830 1.00 0.00 N ATOM 932 CA GLU A 60 -5.739 -8.797 0.275 1.00 0.00 C ATOM 933 C GLU A 60 -6.026 -7.319 0.539 1.00 0.00 C ATOM 934 O GLU A 60 -7.097 -6.951 1.026 1.00 0.00 O ATOM 935 CB GLU A 60 -5.151 -9.450 1.529 1.00 0.00 C ATOM 936 CG GLU A 60 -6.126 -9.573 2.689 1.00 0.00 C ATOM 937 CD GLU A 60 -7.201 -10.616 2.447 1.00 0.00 C ATOM 938 OE1 GLU A 60 -6.851 -11.794 2.226 1.00 0.00 O ATOM 939 OE2 GLU A 60 -8.396 -10.268 2.503 1.00 0.00 O ATOM 0 H GLU A 60 -3.877 -8.550 -0.649 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.675 -9.291 0.016 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -4.787 -10.444 1.269 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -4.288 -8.870 1.856 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -5.576 -9.829 3.594 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -6.598 -8.606 2.865 1.00 0.00 H new ATOM 946 N ARG A 61 -5.065 -6.473 0.192 1.00 0.00 N ATOM 947 CA ARG A 61 -5.139 -5.051 0.498 1.00 0.00 C ATOM 948 C ARG A 61 -4.094 -4.295 -0.313 1.00 0.00 C ATOM 949 O ARG A 61 -2.979 -4.771 -0.480 1.00 0.00 O ATOM 950 CB ARG A 61 -4.904 -4.857 1.998 1.00 0.00 C ATOM 951 CG ARG A 61 -4.973 -3.420 2.497 1.00 0.00 C ATOM 952 CD ARG A 61 -4.747 -3.385 3.999 1.00 0.00 C ATOM 953 NE ARG A 61 -4.686 -2.029 4.553 1.00 0.00 N ATOM 954 CZ ARG A 61 -3.579 -1.493 5.078 1.00 0.00 C ATOM 955 NH1 ARG A 61 -2.410 -2.111 4.956 1.00 0.00 N ATOM 956 NH2 ARG A 61 -3.631 -0.316 5.696 1.00 0.00 N ATOM 0 H ARG A 61 -4.219 -6.750 -0.306 1.00 0.00 H new ATOM 0 HA ARG A 61 -6.122 -4.661 0.236 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -5.642 -5.447 2.542 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -3.924 -5.263 2.249 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -4.221 -2.814 1.993 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -5.944 -2.988 2.256 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -5.550 -3.934 4.491 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -3.817 -3.905 4.230 1.00 0.00 H new ATOM 0 HE ARG A 61 -5.535 -1.463 4.537 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -2.353 -3.000 4.459 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -1.570 -1.697 5.359 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -4.518 0.182 5.771 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -2.784 0.089 6.095 1.00 0.00 H new ATOM 970 N LEU A 62 -4.456 -3.136 -0.835 1.00 0.00 N ATOM 971 CA LEU A 62 -3.509 -2.322 -1.587 1.00 0.00 C ATOM 972 C LEU A 62 -3.152 -1.067 -0.807 1.00 0.00 C ATOM 973 O LEU A 62 -4.006 -0.462 -0.170 1.00 0.00 O ATOM 974 CB LEU A 62 -4.069 -1.922 -2.962 1.00 0.00 C ATOM 975 CG LEU A 62 -4.274 -3.061 -3.968 1.00 0.00 C ATOM 976 CD1 LEU A 62 -5.572 -3.804 -3.696 1.00 0.00 C ATOM 977 CD2 LEU A 62 -4.258 -2.521 -5.390 1.00 0.00 C ATOM 0 H LEU A 62 -5.391 -2.737 -0.755 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.615 -2.927 -1.742 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.026 -1.423 -2.810 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.395 -1.190 -3.406 1.00 0.00 H new ATOM 0 HG LEU A 62 -3.452 -3.767 -3.852 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -5.692 -4.606 -4.424 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -5.546 -4.227 -2.692 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -6.411 -3.113 -3.777 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -4.405 -3.341 -6.092 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -5.059 -1.792 -5.511 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.299 -2.042 -5.587 1.00 0.00 H new ATOM 989 N VAL A 63 -1.886 -0.687 -0.851 1.00 0.00 N ATOM 990 CA VAL A 63 -1.439 0.544 -0.219 1.00 0.00 C ATOM 991 C VAL A 63 -1.140 1.581 -1.291 1.00 0.00 C ATOM 992 O VAL A 63 -0.058 1.585 -1.882 1.00 0.00 O ATOM 993 CB VAL A 63 -0.185 0.325 0.653 1.00 0.00 C ATOM 994 CG1 VAL A 63 0.192 1.605 1.386 1.00 0.00 C ATOM 995 CG2 VAL A 63 -0.407 -0.810 1.640 1.00 0.00 C ATOM 0 H VAL A 63 -1.148 -1.214 -1.318 1.00 0.00 H new ATOM 0 HA VAL A 63 -2.238 0.893 0.435 1.00 0.00 H new ATOM 0 HB VAL A 63 0.641 0.051 -0.004 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.079 1.428 1.995 1.00 0.00 H new ATOM 0 HG12 VAL A 63 0.401 2.392 0.661 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -0.633 1.913 2.028 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.490 -0.947 2.244 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -1.249 -0.568 2.289 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -0.621 -1.729 1.095 1.00 0.00 H new ATOM 1005 N ILE A 64 -2.115 2.431 -1.567 1.00 0.00 N ATOM 1006 CA ILE A 64 -1.991 3.412 -2.631 1.00 0.00 C ATOM 1007 C ILE A 64 -1.648 4.785 -2.064 1.00 0.00 C ATOM 1008 O ILE A 64 -2.455 5.407 -1.372 1.00 0.00 O ATOM 1009 CB ILE A 64 -3.293 3.513 -3.462 1.00 0.00 C ATOM 1010 CG1 ILE A 64 -3.810 2.116 -3.841 1.00 0.00 C ATOM 1011 CG2 ILE A 64 -3.064 4.349 -4.715 1.00 0.00 C ATOM 1012 CD1 ILE A 64 -2.852 1.311 -4.697 1.00 0.00 C ATOM 0 H ILE A 64 -3.004 2.461 -1.067 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.184 3.078 -3.284 1.00 0.00 H new ATOM 0 HB ILE A 64 -4.048 4.004 -2.848 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -4.020 1.559 -2.928 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -4.755 2.223 -4.374 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -3.990 4.409 -5.287 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -2.748 5.352 -4.430 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -2.290 3.884 -5.326 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -3.292 0.339 -4.920 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -2.660 1.844 -5.628 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -1.914 1.170 -4.159 1.00 0.00 H new ATOM 1024 N GLN A 65 -0.433 5.239 -2.335 1.00 0.00 N ATOM 1025 CA GLN A 65 0.005 6.564 -1.917 1.00 0.00 C ATOM 1026 C GLN A 65 0.326 7.419 -3.136 1.00 0.00 C ATOM 1027 O GLN A 65 1.319 7.183 -3.828 1.00 0.00 O ATOM 1028 CB GLN A 65 1.234 6.459 -1.015 1.00 0.00 C ATOM 1029 CG GLN A 65 0.961 5.770 0.312 1.00 0.00 C ATOM 1030 CD GLN A 65 2.234 5.417 1.049 1.00 0.00 C ATOM 1031 OE1 GLN A 65 2.758 6.209 1.830 1.00 0.00 O ATOM 1032 NE2 GLN A 65 2.740 4.217 0.805 1.00 0.00 N ATOM 0 H GLN A 65 0.271 4.706 -2.846 1.00 0.00 H new ATOM 0 HA GLN A 65 -0.802 7.035 -1.356 1.00 0.00 H new ATOM 0 HB2 GLN A 65 2.016 5.914 -1.543 1.00 0.00 H new ATOM 0 HB3 GLN A 65 1.619 7.460 -0.822 1.00 0.00 H new ATOM 0 HG2 GLN A 65 0.350 6.421 0.938 1.00 0.00 H new ATOM 0 HG3 GLN A 65 0.383 4.863 0.136 1.00 0.00 H new ATOM 0 HE21 GLN A 65 2.273 3.590 0.149 1.00 0.00 H new ATOM 0 HE22 GLN A 65 3.596 3.920 1.273 1.00 0.00 H new ATOM 1041 N SER A 66 -0.530 8.390 -3.415 1.00 0.00 N ATOM 1042 CA SER A 66 -0.351 9.262 -4.568 1.00 0.00 C ATOM 1043 C SER A 66 -0.889 10.661 -4.276 1.00 0.00 C ATOM 1044 O SER A 66 -1.577 10.871 -3.276 1.00 0.00 O ATOM 1045 CB SER A 66 -1.065 8.670 -5.786 1.00 0.00 C ATOM 1046 OG SER A 66 -0.600 7.358 -6.057 1.00 0.00 O ATOM 0 H SER A 66 -1.359 8.595 -2.857 1.00 0.00 H new ATOM 0 HA SER A 66 0.715 9.340 -4.780 1.00 0.00 H new ATOM 0 HB2 SER A 66 -2.140 8.650 -5.608 1.00 0.00 H new ATOM 0 HB3 SER A 66 -0.898 9.306 -6.655 1.00 0.00 H new ATOM 0 HG SER A 66 -1.071 6.999 -6.838 1.00 0.00 H new ATOM 1052 N TYR A 67 -0.555 11.611 -5.138 1.00 0.00 N ATOM 1053 CA TYR A 67 -1.051 12.974 -5.014 1.00 0.00 C ATOM 1054 C TYR A 67 -1.949 13.333 -6.193 1.00 0.00 C ATOM 1055 O TYR A 67 -1.698 12.906 -7.321 1.00 0.00 O ATOM 1056 CB TYR A 67 0.104 13.979 -4.959 1.00 0.00 C ATOM 1057 CG TYR A 67 0.845 14.057 -3.642 1.00 0.00 C ATOM 1058 CD1 TYR A 67 0.325 14.779 -2.571 1.00 0.00 C ATOM 1059 CD2 TYR A 67 2.086 13.455 -3.484 1.00 0.00 C ATOM 1060 CE1 TYR A 67 1.023 14.894 -1.382 1.00 0.00 C ATOM 1061 CE2 TYR A 67 2.784 13.557 -2.297 1.00 0.00 C ATOM 1062 CZ TYR A 67 2.252 14.282 -1.251 1.00 0.00 C ATOM 1063 OH TYR A 67 2.959 14.404 -0.078 1.00 0.00 O ATOM 0 H TYR A 67 0.062 11.461 -5.936 1.00 0.00 H new ATOM 0 HA TYR A 67 -1.621 13.025 -4.087 1.00 0.00 H new ATOM 0 HB2 TYR A 67 0.819 13.726 -5.742 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -0.289 14.969 -5.193 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -0.638 15.257 -2.670 1.00 0.00 H new ATOM 0 HD2 TYR A 67 2.513 12.897 -4.304 1.00 0.00 H new ATOM 0 HE1 TYR A 67 0.608 15.460 -0.561 1.00 0.00 H new ATOM 0 HE2 TYR A 67 3.742 13.071 -2.188 1.00 0.00 H new ATOM 0 HH TYR A 67 3.803 13.912 -0.152 1.00 0.00 H new ATOM 1073 N PHE A 68 -3.000 14.103 -5.907 1.00 0.00 N ATOM 1074 CA PHE A 68 -3.860 14.716 -6.931 1.00 0.00 C ATOM 1075 C PHE A 68 -4.737 13.708 -7.675 1.00 0.00 C ATOM 1076 O PHE A 68 -5.479 14.086 -8.582 1.00 0.00 O ATOM 1077 CB PHE A 68 -3.029 15.517 -7.944 1.00 0.00 C ATOM 1078 CG PHE A 68 -2.285 16.676 -7.344 1.00 0.00 C ATOM 1079 CD1 PHE A 68 -2.970 17.784 -6.866 1.00 0.00 C ATOM 1080 CD2 PHE A 68 -0.903 16.659 -7.261 1.00 0.00 C ATOM 1081 CE1 PHE A 68 -2.287 18.851 -6.315 1.00 0.00 C ATOM 1082 CE2 PHE A 68 -0.216 17.724 -6.713 1.00 0.00 C ATOM 1083 CZ PHE A 68 -0.909 18.821 -6.239 1.00 0.00 C ATOM 0 H PHE A 68 -3.284 14.323 -4.952 1.00 0.00 H new ATOM 0 HA PHE A 68 -4.527 15.385 -6.388 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -2.314 14.848 -8.422 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -3.690 15.889 -8.727 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -4.048 17.813 -6.925 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -0.356 15.803 -7.629 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.830 19.707 -5.944 1.00 0.00 H new ATOM 0 HE2 PHE A 68 0.862 17.699 -6.655 1.00 0.00 H new ATOM 0 HZ PHE A 68 -0.373 19.654 -5.809 1.00 0.00 H new ATOM 1093 N VAL A 69 -4.672 12.442 -7.294 1.00 0.00 N ATOM 1094 CA VAL A 69 -5.469 11.415 -7.957 1.00 0.00 C ATOM 1095 C VAL A 69 -6.902 11.420 -7.434 1.00 0.00 C ATOM 1096 O VAL A 69 -7.127 11.349 -6.229 1.00 0.00 O ATOM 1097 CB VAL A 69 -4.863 10.007 -7.757 1.00 0.00 C ATOM 1098 CG1 VAL A 69 -5.735 8.941 -8.407 1.00 0.00 C ATOM 1099 CG2 VAL A 69 -3.451 9.948 -8.315 1.00 0.00 C ATOM 0 H VAL A 69 -4.082 12.100 -6.536 1.00 0.00 H new ATOM 0 HA VAL A 69 -5.468 11.649 -9.022 1.00 0.00 H new ATOM 0 HB VAL A 69 -4.822 9.808 -6.686 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -5.286 7.960 -8.252 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -6.729 8.961 -7.959 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -5.815 9.138 -9.476 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -3.042 8.949 -8.165 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -3.471 10.175 -9.381 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -2.826 10.677 -7.800 1.00 0.00 H new ATOM 1109 N GLN A 70 -7.865 11.528 -8.342 1.00 0.00 N ATOM 1110 CA GLN A 70 -9.266 11.416 -7.971 1.00 0.00 C ATOM 1111 C GLN A 70 -9.859 10.137 -8.543 1.00 0.00 C ATOM 1112 O GLN A 70 -10.008 9.152 -7.831 1.00 0.00 O ATOM 1113 CB GLN A 70 -10.074 12.632 -8.437 1.00 0.00 C ATOM 1114 CG GLN A 70 -11.573 12.474 -8.215 1.00 0.00 C ATOM 1115 CD GLN A 70 -12.360 13.720 -8.556 1.00 0.00 C ATOM 1116 OE1 GLN A 70 -12.757 13.925 -9.704 1.00 0.00 O ATOM 1117 NE2 GLN A 70 -12.615 14.544 -7.556 1.00 0.00 N ATOM 0 H GLN A 70 -7.700 11.692 -9.335 1.00 0.00 H new ATOM 0 HA GLN A 70 -9.320 11.381 -6.883 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -9.725 13.518 -7.906 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -9.886 12.801 -9.497 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -11.938 11.644 -8.820 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -11.754 12.212 -7.173 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -12.266 14.334 -6.621 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -13.161 15.390 -7.719 1.00 0.00 H new ATOM 1126 N THR A 71 -10.154 10.142 -9.835 1.00 0.00 N ATOM 1127 CA THR A 71 -10.784 8.998 -10.471 1.00 0.00 C ATOM 1128 C THR A 71 -9.732 7.981 -10.893 1.00 0.00 C ATOM 1129 O THR A 71 -9.044 8.155 -11.904 1.00 0.00 O ATOM 1130 CB THR A 71 -11.619 9.423 -11.695 1.00 0.00 C ATOM 1131 OG1 THR A 71 -12.609 10.384 -11.298 1.00 0.00 O ATOM 1132 CG2 THR A 71 -12.301 8.224 -12.340 1.00 0.00 C ATOM 0 H THR A 71 -9.967 10.925 -10.461 1.00 0.00 H new ATOM 0 HA THR A 71 -11.455 8.543 -9.742 1.00 0.00 H new ATOM 0 HB THR A 71 -10.945 9.868 -12.427 1.00 0.00 H new ATOM 0 HG1 THR A 71 -13.136 10.652 -12.079 1.00 0.00 H new ATOM 0 HG21 THR A 71 -12.882 8.555 -13.200 1.00 0.00 H new ATOM 0 HG22 THR A 71 -11.546 7.508 -12.666 1.00 0.00 H new ATOM 0 HG23 THR A 71 -12.963 7.749 -11.616 1.00 0.00 H new ATOM 1140 N LEU A 72 -9.603 6.936 -10.094 1.00 0.00 N ATOM 1141 CA LEU A 72 -8.636 5.888 -10.347 1.00 0.00 C ATOM 1142 C LEU A 72 -9.344 4.588 -10.706 1.00 0.00 C ATOM 1143 O LEU A 72 -9.998 3.963 -9.868 1.00 0.00 O ATOM 1144 CB LEU A 72 -7.727 5.705 -9.127 1.00 0.00 C ATOM 1145 CG LEU A 72 -6.785 4.502 -9.182 1.00 0.00 C ATOM 1146 CD1 LEU A 72 -6.023 4.483 -10.493 1.00 0.00 C ATOM 1147 CD2 LEU A 72 -5.820 4.536 -8.008 1.00 0.00 C ATOM 0 H LEU A 72 -10.165 6.792 -9.255 1.00 0.00 H new ATOM 0 HA LEU A 72 -8.014 6.175 -11.195 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.129 6.608 -9.003 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -8.353 5.614 -8.240 1.00 0.00 H new ATOM 0 HG LEU A 72 -7.381 3.591 -9.118 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -5.357 3.620 -10.515 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -6.727 4.419 -11.322 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -5.436 5.397 -10.586 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -5.155 3.674 -8.059 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.231 5.452 -8.048 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -6.382 4.506 -7.074 1.00 0.00 H new ATOM 1159 N LYS A 73 -9.218 4.202 -11.966 1.00 0.00 N ATOM 1160 CA LYS A 73 -9.839 2.992 -12.473 1.00 0.00 C ATOM 1161 C LYS A 73 -8.830 1.847 -12.478 1.00 0.00 C ATOM 1162 O LYS A 73 -7.898 1.834 -13.277 1.00 0.00 O ATOM 1163 CB LYS A 73 -10.365 3.238 -13.888 1.00 0.00 C ATOM 1164 CG LYS A 73 -11.317 2.169 -14.391 1.00 0.00 C ATOM 1165 CD LYS A 73 -11.711 2.416 -15.838 1.00 0.00 C ATOM 1166 CE LYS A 73 -12.885 1.545 -16.252 1.00 0.00 C ATOM 1167 NZ LYS A 73 -14.154 1.986 -15.613 1.00 0.00 N ATOM 0 H LYS A 73 -8.683 4.719 -12.664 1.00 0.00 H new ATOM 0 HA LYS A 73 -10.672 2.719 -11.825 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -10.873 4.202 -13.912 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -9.519 3.306 -14.572 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -10.847 1.190 -14.302 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -12.210 2.152 -13.767 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -11.971 3.466 -15.971 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -10.860 2.214 -16.488 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -12.995 1.575 -17.336 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -12.682 0.509 -15.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -14.721 1.153 -15.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -13.939 2.535 -14.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -14.690 2.579 -16.279 1.00 0.00 H new ATOM 1181 N ILE A 74 -9.013 0.901 -11.575 1.00 0.00 N ATOM 1182 CA ILE A 74 -8.130 -0.248 -11.470 1.00 0.00 C ATOM 1183 C ILE A 74 -8.679 -1.407 -12.293 1.00 0.00 C ATOM 1184 O ILE A 74 -9.674 -2.039 -11.920 1.00 0.00 O ATOM 1185 CB ILE A 74 -7.963 -0.700 -10.003 1.00 0.00 C ATOM 1186 CG1 ILE A 74 -7.550 0.485 -9.124 1.00 0.00 C ATOM 1187 CG2 ILE A 74 -6.932 -1.820 -9.908 1.00 0.00 C ATOM 1188 CD1 ILE A 74 -7.479 0.155 -7.647 1.00 0.00 C ATOM 0 H ILE A 74 -9.774 0.906 -10.896 1.00 0.00 H new ATOM 0 HA ILE A 74 -7.154 0.050 -11.853 1.00 0.00 H new ATOM 0 HB ILE A 74 -8.920 -1.079 -9.644 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -6.576 0.847 -9.453 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -8.260 1.299 -9.271 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -6.825 -2.129 -8.868 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -7.261 -2.669 -10.506 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -5.972 -1.464 -10.282 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -7.180 1.043 -7.090 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -8.457 -0.178 -7.301 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -6.748 -0.637 -7.486 1.00 0.00 H new ATOM 1200 N GLU A 75 -8.035 -1.673 -13.416 1.00 0.00 N ATOM 1201 CA GLU A 75 -8.481 -2.708 -14.330 1.00 0.00 C ATOM 1202 C GLU A 75 -7.725 -4.007 -14.063 1.00 0.00 C ATOM 1203 O GLU A 75 -6.511 -3.996 -13.871 1.00 0.00 O ATOM 1204 CB GLU A 75 -8.276 -2.230 -15.765 1.00 0.00 C ATOM 1205 CG GLU A 75 -8.962 -3.088 -16.807 1.00 0.00 C ATOM 1206 CD GLU A 75 -9.040 -2.390 -18.147 1.00 0.00 C ATOM 1207 OE1 GLU A 75 -8.039 -2.402 -18.885 1.00 0.00 O ATOM 1208 OE2 GLU A 75 -10.106 -1.819 -18.459 1.00 0.00 O ATOM 0 H GLU A 75 -7.194 -1.181 -13.718 1.00 0.00 H new ATOM 0 HA GLU A 75 -9.542 -2.907 -14.177 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -8.644 -1.208 -15.852 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -7.207 -2.203 -15.978 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -8.421 -4.028 -16.918 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -9.967 -3.337 -16.468 1.00 0.00 H new ATOM 1215 N LYS A 76 -8.451 -5.115 -14.042 1.00 0.00 N ATOM 1216 CA LYS A 76 -7.892 -6.399 -13.646 1.00 0.00 C ATOM 1217 C LYS A 76 -7.801 -7.370 -14.820 1.00 0.00 C ATOM 1218 O LYS A 76 -8.737 -7.497 -15.614 1.00 0.00 O ATOM 1219 CB LYS A 76 -8.754 -7.021 -12.544 1.00 0.00 C ATOM 1220 CG LYS A 76 -8.337 -8.433 -12.162 1.00 0.00 C ATOM 1221 CD LYS A 76 -9.543 -9.343 -11.997 1.00 0.00 C ATOM 1222 CE LYS A 76 -10.388 -8.959 -10.796 1.00 0.00 C ATOM 1223 NZ LYS A 76 -11.708 -9.641 -10.818 1.00 0.00 N ATOM 0 H LYS A 76 -9.438 -5.150 -14.297 1.00 0.00 H new ATOM 0 HA LYS A 76 -6.882 -6.217 -13.280 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -8.709 -6.387 -11.659 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -9.793 -7.035 -12.873 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -7.676 -8.838 -12.928 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -7.769 -8.407 -11.232 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -10.154 -9.301 -12.898 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -9.206 -10.374 -11.888 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -9.858 -9.219 -9.879 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -10.535 -7.879 -10.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -12.138 -9.595 -9.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -12.331 -9.170 -11.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -11.580 -10.636 -11.092 1.00 0.00 H new ATOM 1237 N SER A 77 -6.666 -8.045 -14.911 1.00 0.00 N ATOM 1238 CA SER A 77 -6.479 -9.152 -15.829 1.00 0.00 C ATOM 1239 C SER A 77 -5.744 -10.282 -15.110 1.00 0.00 C ATOM 1240 O SER A 77 -4.705 -10.055 -14.489 1.00 0.00 O ATOM 1241 CB SER A 77 -5.686 -8.698 -17.060 1.00 0.00 C ATOM 1242 OG SER A 77 -6.348 -7.640 -17.731 1.00 0.00 O ATOM 0 H SER A 77 -5.844 -7.837 -14.345 1.00 0.00 H new ATOM 0 HA SER A 77 -7.452 -9.510 -16.165 1.00 0.00 H new ATOM 0 HB2 SER A 77 -4.691 -8.374 -16.756 1.00 0.00 H new ATOM 0 HB3 SER A 77 -5.553 -9.538 -17.741 1.00 0.00 H new ATOM 0 HG SER A 77 -7.004 -8.010 -18.358 1.00 0.00 H new ATOM 1248 N THR A 78 -6.294 -11.487 -15.156 1.00 0.00 N ATOM 1249 CA THR A 78 -5.667 -12.626 -14.499 1.00 0.00 C ATOM 1250 C THR A 78 -5.079 -13.582 -15.532 1.00 0.00 C ATOM 1251 O THR A 78 -4.763 -14.734 -15.233 1.00 0.00 O ATOM 1252 CB THR A 78 -6.678 -13.386 -13.625 1.00 0.00 C ATOM 1253 OG1 THR A 78 -7.676 -12.479 -13.133 1.00 0.00 O ATOM 1254 CG2 THR A 78 -5.986 -14.058 -12.447 1.00 0.00 C ATOM 0 H THR A 78 -7.167 -11.701 -15.638 1.00 0.00 H new ATOM 0 HA THR A 78 -4.869 -12.241 -13.864 1.00 0.00 H new ATOM 0 HB THR A 78 -7.146 -14.155 -14.240 1.00 0.00 H new ATOM 0 HG1 THR A 78 -7.505 -12.286 -12.187 1.00 0.00 H new ATOM 0 HG21 THR A 78 -6.724 -14.588 -11.846 1.00 0.00 H new ATOM 0 HG22 THR A 78 -5.243 -14.765 -12.816 1.00 0.00 H new ATOM 0 HG23 THR A 78 -5.494 -13.302 -11.835 1.00 0.00 H new ATOM 1262 N SER A 79 -4.925 -13.090 -16.749 1.00 0.00 N ATOM 1263 CA SER A 79 -4.387 -13.893 -17.829 1.00 0.00 C ATOM 1264 C SER A 79 -2.864 -13.828 -17.814 1.00 0.00 C ATOM 1265 O SER A 79 -2.280 -12.895 -17.263 1.00 0.00 O ATOM 1266 CB SER A 79 -4.931 -13.394 -19.174 1.00 0.00 C ATOM 1267 OG SER A 79 -4.549 -14.247 -20.242 1.00 0.00 O ATOM 0 H SER A 79 -5.166 -12.135 -17.013 1.00 0.00 H new ATOM 0 HA SER A 79 -4.694 -14.930 -17.692 1.00 0.00 H new ATOM 0 HB2 SER A 79 -6.018 -13.334 -19.127 1.00 0.00 H new ATOM 0 HB3 SER A 79 -4.564 -12.386 -19.364 1.00 0.00 H new ATOM 0 HG SER A 79 -4.913 -13.901 -21.083 1.00 0.00 H new ATOM 1273 N LYS A 80 -2.227 -14.831 -18.401 1.00 0.00 N ATOM 1274 CA LYS A 80 -0.777 -14.830 -18.561 1.00 0.00 C ATOM 1275 C LYS A 80 -0.381 -13.885 -19.692 1.00 0.00 C ATOM 1276 O LYS A 80 0.799 -13.670 -19.963 1.00 0.00 O ATOM 1277 CB LYS A 80 -0.275 -16.244 -18.858 1.00 0.00 C ATOM 1278 CG LYS A 80 -0.621 -17.254 -17.774 1.00 0.00 C ATOM 1279 CD LYS A 80 -0.186 -18.662 -18.152 1.00 0.00 C ATOM 1280 CE LYS A 80 1.324 -18.764 -18.302 1.00 0.00 C ATOM 1281 NZ LYS A 80 1.753 -20.151 -18.614 1.00 0.00 N ATOM 0 H LYS A 80 -2.691 -15.658 -18.776 1.00 0.00 H new ATOM 0 HA LYS A 80 -0.320 -14.486 -17.633 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -0.699 -16.580 -19.804 1.00 0.00 H new ATOM 0 HB3 LYS A 80 0.807 -16.217 -18.986 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -0.140 -16.964 -16.840 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -1.696 -17.242 -17.596 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -0.524 -19.364 -17.390 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -0.665 -18.952 -19.087 1.00 0.00 H new ATOM 0 HE2 LYS A 80 1.657 -18.093 -19.094 1.00 0.00 H new ATOM 0 HE3 LYS A 80 1.804 -18.433 -17.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 2.788 -20.181 -18.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 1.457 -20.787 -17.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 1.315 -20.458 -19.506 1.00 0.00 H new ATOM 1295 N GLU A 81 -1.391 -13.337 -20.346 1.00 0.00 N ATOM 1296 CA GLU A 81 -1.200 -12.405 -21.439 1.00 0.00 C ATOM 1297 C GLU A 81 -1.798 -11.053 -21.065 1.00 0.00 C ATOM 1298 O GLU A 81 -2.709 -10.987 -20.241 1.00 0.00 O ATOM 1299 CB GLU A 81 -1.877 -12.951 -22.696 1.00 0.00 C ATOM 1300 CG GLU A 81 -1.356 -14.313 -23.125 1.00 0.00 C ATOM 1301 CD GLU A 81 -2.229 -14.961 -24.177 1.00 0.00 C ATOM 1302 OE1 GLU A 81 -2.189 -14.519 -25.344 1.00 0.00 O ATOM 1303 OE2 GLU A 81 -2.965 -15.912 -23.842 1.00 0.00 O ATOM 0 H GLU A 81 -2.370 -13.528 -20.131 1.00 0.00 H new ATOM 0 HA GLU A 81 -0.135 -12.280 -21.634 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -2.950 -13.021 -22.519 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -1.734 -12.243 -23.512 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -0.343 -14.205 -23.514 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -1.296 -14.966 -22.255 1.00 0.00 H new ATOM 1310 N PRO A 82 -1.300 -9.957 -21.661 1.00 0.00 N ATOM 1311 CA PRO A 82 -1.817 -8.606 -21.401 1.00 0.00 C ATOM 1312 C PRO A 82 -3.167 -8.348 -22.084 1.00 0.00 C ATOM 1313 O PRO A 82 -3.397 -7.273 -22.640 1.00 0.00 O ATOM 1314 CB PRO A 82 -0.736 -7.705 -22.002 1.00 0.00 C ATOM 1315 CG PRO A 82 -0.129 -8.517 -23.092 1.00 0.00 C ATOM 1316 CD PRO A 82 -0.182 -9.945 -22.627 1.00 0.00 C ATOM 0 HA PRO A 82 -2.004 -8.436 -20.341 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -1.162 -6.779 -22.388 1.00 0.00 H new ATOM 0 HB3 PRO A 82 0.007 -7.426 -21.255 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -0.679 -8.390 -24.025 1.00 0.00 H new ATOM 0 HG3 PRO A 82 0.898 -8.207 -23.283 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -0.362 -10.630 -23.456 1.00 0.00 H new ATOM 0 HD3 PRO A 82 0.755 -10.249 -22.160 1.00 0.00 H new ATOM 1324 N VAL A 83 -4.064 -9.328 -22.017 1.00 0.00 N ATOM 1325 CA VAL A 83 -5.355 -9.241 -22.694 1.00 0.00 C ATOM 1326 C VAL A 83 -6.504 -9.554 -21.737 1.00 0.00 C ATOM 1327 O VAL A 83 -6.275 -10.032 -20.625 1.00 0.00 O ATOM 1328 CB VAL A 83 -5.433 -10.205 -23.903 1.00 0.00 C ATOM 1329 CG1 VAL A 83 -4.405 -9.836 -24.960 1.00 0.00 C ATOM 1330 CG2 VAL A 83 -5.248 -11.650 -23.458 1.00 0.00 C ATOM 0 H VAL A 83 -3.920 -10.195 -21.499 1.00 0.00 H new ATOM 0 HA VAL A 83 -5.449 -8.216 -23.051 1.00 0.00 H new ATOM 0 HB VAL A 83 -6.425 -10.108 -24.345 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -4.481 -10.528 -25.798 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -4.591 -8.821 -25.310 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -3.405 -9.894 -24.531 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -5.307 -12.308 -24.325 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -4.274 -11.762 -22.983 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -6.031 -11.915 -22.748 1.00 0.00 H new ATOM 1340 N ASP A 84 -7.730 -9.291 -22.201 1.00 0.00 N ATOM 1341 CA ASP A 84 -8.961 -9.519 -21.429 1.00 0.00 C ATOM 1342 C ASP A 84 -9.007 -8.642 -20.180 1.00 0.00 C ATOM 1343 O ASP A 84 -8.303 -8.885 -19.201 1.00 0.00 O ATOM 1344 CB ASP A 84 -9.130 -10.992 -21.045 1.00 0.00 C ATOM 1345 CG ASP A 84 -10.525 -11.285 -20.526 1.00 0.00 C ATOM 1346 OD1 ASP A 84 -11.451 -11.410 -21.356 1.00 0.00 O ATOM 1347 OD2 ASP A 84 -10.708 -11.391 -19.295 1.00 0.00 O ATOM 0 H ASP A 84 -7.900 -8.910 -23.132 1.00 0.00 H new ATOM 0 HA ASP A 84 -9.792 -9.242 -22.078 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -8.927 -11.619 -21.913 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -8.396 -11.255 -20.283 1.00 0.00 H new ATOM 1352 N PHE A 85 -9.851 -7.627 -20.216 1.00 0.00 N ATOM 1353 CA PHE A 85 -9.880 -6.632 -19.157 1.00 0.00 C ATOM 1354 C PHE A 85 -11.210 -6.645 -18.409 1.00 0.00 C ATOM 1355 O PHE A 85 -12.278 -6.559 -19.015 1.00 0.00 O ATOM 1356 CB PHE A 85 -9.616 -5.252 -19.752 1.00 0.00 C ATOM 1357 CG PHE A 85 -8.348 -5.190 -20.555 1.00 0.00 C ATOM 1358 CD1 PHE A 85 -7.112 -5.308 -19.935 1.00 0.00 C ATOM 1359 CD2 PHE A 85 -8.390 -5.032 -21.930 1.00 0.00 C ATOM 1360 CE1 PHE A 85 -5.945 -5.265 -20.672 1.00 0.00 C ATOM 1361 CE2 PHE A 85 -7.227 -4.990 -22.672 1.00 0.00 C ATOM 1362 CZ PHE A 85 -6.002 -5.107 -22.042 1.00 0.00 C ATOM 0 H PHE A 85 -10.525 -7.469 -20.965 1.00 0.00 H new ATOM 0 HA PHE A 85 -9.100 -6.875 -18.435 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -10.456 -4.970 -20.387 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -9.565 -4.519 -18.947 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -7.062 -5.435 -18.864 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -9.344 -4.941 -22.428 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -4.989 -5.355 -20.177 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -7.274 -4.866 -23.744 1.00 0.00 H new ATOM 0 HZ PHE A 85 -5.091 -5.075 -22.621 1.00 0.00 H new ATOM 1372 N GLU A 86 -11.132 -6.753 -17.090 1.00 0.00 N ATOM 1373 CA GLU A 86 -12.317 -6.789 -16.240 1.00 0.00 C ATOM 1374 C GLU A 86 -12.175 -5.733 -15.145 1.00 0.00 C ATOM 1375 O GLU A 86 -11.151 -5.672 -14.472 1.00 0.00 O ATOM 1376 CB GLU A 86 -12.465 -8.197 -15.642 1.00 0.00 C ATOM 1377 CG GLU A 86 -13.828 -8.504 -15.033 1.00 0.00 C ATOM 1378 CD GLU A 86 -13.971 -8.034 -13.598 1.00 0.00 C ATOM 1379 OE1 GLU A 86 -13.139 -8.426 -12.751 1.00 0.00 O ATOM 1380 OE2 GLU A 86 -14.938 -7.306 -13.302 1.00 0.00 O ATOM 0 H GLU A 86 -10.251 -6.818 -16.580 1.00 0.00 H new ATOM 0 HA GLU A 86 -13.213 -6.567 -16.819 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -12.261 -8.929 -16.423 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -11.703 -8.330 -14.874 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -14.602 -8.034 -15.640 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -14.001 -9.579 -15.073 1.00 0.00 H new ATOM 1387 N GLN A 87 -13.184 -4.887 -14.982 1.00 0.00 N ATOM 1388 CA GLN A 87 -13.105 -3.800 -14.012 1.00 0.00 C ATOM 1389 C GLN A 87 -13.179 -4.326 -12.585 1.00 0.00 C ATOM 1390 O GLN A 87 -14.226 -4.788 -12.129 1.00 0.00 O ATOM 1391 CB GLN A 87 -14.211 -2.771 -14.252 1.00 0.00 C ATOM 1392 CG GLN A 87 -14.176 -1.609 -13.271 1.00 0.00 C ATOM 1393 CD GLN A 87 -15.152 -0.509 -13.626 1.00 0.00 C ATOM 1394 OE1 GLN A 87 -15.453 -0.283 -14.797 1.00 0.00 O ATOM 1395 NE2 GLN A 87 -15.649 0.188 -12.619 1.00 0.00 N ATOM 0 H GLN A 87 -14.060 -4.930 -15.503 1.00 0.00 H new ATOM 0 HA GLN A 87 -12.140 -3.312 -14.147 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -14.123 -2.383 -15.267 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -15.180 -3.266 -14.183 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -14.401 -1.978 -12.270 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -13.167 -1.197 -13.240 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -15.374 -0.031 -11.662 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -16.308 0.945 -12.799 1.00 0.00 H new ATOM 1404 N TRP A 88 -12.062 -4.244 -11.879 1.00 0.00 N ATOM 1405 CA TRP A 88 -11.988 -4.736 -10.515 1.00 0.00 C ATOM 1406 C TRP A 88 -12.493 -3.676 -9.541 1.00 0.00 C ATOM 1407 O TRP A 88 -13.549 -3.836 -8.927 1.00 0.00 O ATOM 1408 CB TRP A 88 -10.547 -5.139 -10.182 1.00 0.00 C ATOM 1409 CG TRP A 88 -10.376 -5.801 -8.844 1.00 0.00 C ATOM 1410 CD1 TRP A 88 -11.328 -6.462 -8.117 1.00 0.00 C ATOM 1411 CD2 TRP A 88 -9.163 -5.881 -8.082 1.00 0.00 C ATOM 1412 NE1 TRP A 88 -10.782 -6.933 -6.945 1.00 0.00 N ATOM 1413 CE2 TRP A 88 -9.455 -6.593 -6.904 1.00 0.00 C ATOM 1414 CE3 TRP A 88 -7.858 -5.417 -8.284 1.00 0.00 C ATOM 1415 CZ2 TRP A 88 -8.492 -6.849 -5.930 1.00 0.00 C ATOM 1416 CZ3 TRP A 88 -6.903 -5.673 -7.318 1.00 0.00 C ATOM 1417 CH2 TRP A 88 -7.224 -6.385 -6.155 1.00 0.00 C ATOM 0 H TRP A 88 -11.194 -3.840 -12.230 1.00 0.00 H new ATOM 0 HA TRP A 88 -12.625 -5.615 -10.419 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -10.185 -5.815 -10.956 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -9.918 -4.250 -10.216 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -12.357 -6.595 -8.419 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -11.284 -7.451 -6.224 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -7.602 -4.869 -9.179 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -8.737 -7.394 -5.030 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -5.893 -5.318 -7.462 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -6.455 -6.572 -5.420 1.00 0.00 H new ATOM 1428 N ILE A 89 -11.757 -2.580 -9.428 1.00 0.00 N ATOM 1429 CA ILE A 89 -12.077 -1.535 -8.466 1.00 0.00 C ATOM 1430 C ILE A 89 -11.974 -0.169 -9.126 1.00 0.00 C ATOM 1431 O ILE A 89 -11.119 0.045 -9.970 1.00 0.00 O ATOM 1432 CB ILE A 89 -11.118 -1.580 -7.254 1.00 0.00 C ATOM 1433 CG1 ILE A 89 -11.119 -2.972 -6.626 1.00 0.00 C ATOM 1434 CG2 ILE A 89 -11.503 -0.532 -6.215 1.00 0.00 C ATOM 1435 CD1 ILE A 89 -10.026 -3.168 -5.607 1.00 0.00 C ATOM 0 H ILE A 89 -10.930 -2.391 -9.994 1.00 0.00 H new ATOM 0 HA ILE A 89 -13.096 -1.705 -8.117 1.00 0.00 H new ATOM 0 HB ILE A 89 -10.112 -1.355 -7.609 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -12.084 -3.148 -6.151 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -11.010 -3.718 -7.413 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -10.813 -0.584 -5.373 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -11.454 0.460 -6.663 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -12.518 -0.722 -5.865 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -10.084 -4.178 -5.200 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -9.056 -3.024 -6.082 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -10.146 -2.445 -4.801 1.00 0.00 H new ATOM 1447 N GLU A 90 -12.857 0.740 -8.760 1.00 0.00 N ATOM 1448 CA GLU A 90 -12.792 2.100 -9.263 1.00 0.00 C ATOM 1449 C GLU A 90 -13.099 3.070 -8.130 1.00 0.00 C ATOM 1450 O GLU A 90 -14.203 3.063 -7.588 1.00 0.00 O ATOM 1451 CB GLU A 90 -13.782 2.282 -10.414 1.00 0.00 C ATOM 1452 CG GLU A 90 -13.683 3.629 -11.104 1.00 0.00 C ATOM 1453 CD GLU A 90 -14.606 3.728 -12.297 1.00 0.00 C ATOM 1454 OE1 GLU A 90 -15.792 4.071 -12.111 1.00 0.00 O ATOM 1455 OE2 GLU A 90 -14.157 3.448 -13.425 1.00 0.00 O ATOM 0 H GLU A 90 -13.628 0.562 -8.116 1.00 0.00 H new ATOM 0 HA GLU A 90 -11.790 2.303 -9.642 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -13.617 1.495 -11.150 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -14.795 2.154 -10.032 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -13.925 4.419 -10.393 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -12.655 3.795 -11.427 1.00 0.00 H new ATOM 1462 N LYS A 91 -12.117 3.881 -7.756 1.00 0.00 N ATOM 1463 CA LYS A 91 -12.288 4.789 -6.627 1.00 0.00 C ATOM 1464 C LYS A 91 -12.108 6.241 -7.031 1.00 0.00 C ATOM 1465 O LYS A 91 -11.530 6.546 -8.077 1.00 0.00 O ATOM 1466 CB LYS A 91 -11.302 4.468 -5.503 1.00 0.00 C ATOM 1467 CG LYS A 91 -11.858 3.550 -4.430 1.00 0.00 C ATOM 1468 CD LYS A 91 -11.117 3.745 -3.116 1.00 0.00 C ATOM 1469 CE LYS A 91 -11.743 2.942 -1.987 1.00 0.00 C ATOM 1470 NZ LYS A 91 -11.244 3.381 -0.657 1.00 0.00 N ATOM 0 H LYS A 91 -11.205 3.930 -8.210 1.00 0.00 H new ATOM 0 HA LYS A 91 -13.309 4.645 -6.273 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -10.414 4.007 -5.935 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -10.983 5.401 -5.038 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -12.920 3.751 -4.287 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -11.770 2.512 -4.752 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -10.076 3.447 -3.239 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -11.117 4.803 -2.853 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -12.827 3.049 -2.022 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -11.522 1.884 -2.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -11.863 3.002 0.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -10.276 3.028 -0.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -11.244 4.420 -0.612 1.00 0.00 H new ATOM 1484 N ASP A 92 -12.611 7.127 -6.183 1.00 0.00 N ATOM 1485 CA ASP A 92 -12.376 8.554 -6.319 1.00 0.00 C ATOM 1486 C ASP A 92 -11.976 9.133 -4.970 1.00 0.00 C ATOM 1487 O ASP A 92 -12.575 8.814 -3.941 1.00 0.00 O ATOM 1488 CB ASP A 92 -13.602 9.288 -6.883 1.00 0.00 C ATOM 1489 CG ASP A 92 -14.841 9.150 -6.021 1.00 0.00 C ATOM 1490 OD1 ASP A 92 -14.989 9.914 -5.045 1.00 0.00 O ATOM 1491 OD2 ASP A 92 -15.689 8.285 -6.329 1.00 0.00 O ATOM 0 H ASP A 92 -13.192 6.876 -5.383 1.00 0.00 H new ATOM 0 HA ASP A 92 -11.565 8.698 -7.033 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -13.363 10.346 -6.994 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -13.818 8.904 -7.880 1.00 0.00 H new ATOM 1496 N LEU A 93 -10.934 9.943 -4.969 1.00 0.00 N ATOM 1497 CA LEU A 93 -10.439 10.544 -3.742 1.00 0.00 C ATOM 1498 C LEU A 93 -10.914 11.985 -3.625 1.00 0.00 C ATOM 1499 O LEU A 93 -11.410 12.570 -4.592 1.00 0.00 O ATOM 1500 CB LEU A 93 -8.904 10.490 -3.677 1.00 0.00 C ATOM 1501 CG LEU A 93 -8.286 9.092 -3.509 1.00 0.00 C ATOM 1502 CD1 LEU A 93 -8.365 8.289 -4.800 1.00 0.00 C ATOM 1503 CD2 LEU A 93 -6.843 9.205 -3.043 1.00 0.00 C ATOM 0 H LEU A 93 -10.412 10.201 -5.806 1.00 0.00 H new ATOM 0 HA LEU A 93 -10.838 9.970 -2.906 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -8.506 10.935 -4.589 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -8.573 11.114 -2.847 1.00 0.00 H new ATOM 0 HG LEU A 93 -8.862 8.561 -2.751 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -7.919 7.306 -4.645 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -9.409 8.172 -5.092 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -7.824 8.813 -5.588 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -6.419 8.208 -2.928 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -6.265 9.763 -3.780 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -6.809 9.726 -2.086 1.00 0.00 H new ATOM 1515 N VAL A 94 -10.775 12.547 -2.433 1.00 0.00 N ATOM 1516 CA VAL A 94 -11.154 13.929 -2.185 1.00 0.00 C ATOM 1517 C VAL A 94 -9.900 14.776 -1.977 1.00 0.00 C ATOM 1518 O VAL A 94 -8.855 14.253 -1.587 1.00 0.00 O ATOM 1519 CB VAL A 94 -12.074 14.043 -0.946 1.00 0.00 C ATOM 1520 CG1 VAL A 94 -12.643 15.447 -0.815 1.00 0.00 C ATOM 1521 CG2 VAL A 94 -13.197 13.017 -1.009 1.00 0.00 C ATOM 0 H VAL A 94 -10.400 12.062 -1.618 1.00 0.00 H new ATOM 0 HA VAL A 94 -11.705 14.293 -3.052 1.00 0.00 H new ATOM 0 HB VAL A 94 -11.469 13.838 -0.063 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -13.286 15.499 0.064 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -11.827 16.162 -0.710 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -13.225 15.688 -1.705 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -13.830 13.116 -0.128 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -13.794 13.185 -1.906 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -12.772 12.014 -1.039 1.00 0.00 H new ATOM 1531 N HIS A 95 -10.000 16.070 -2.265 1.00 0.00 N ATOM 1532 CA HIS A 95 -8.878 16.994 -2.119 1.00 0.00 C ATOM 1533 C HIS A 95 -8.341 17.023 -0.688 1.00 0.00 C ATOM 1534 O HIS A 95 -9.033 17.449 0.238 1.00 0.00 O ATOM 1535 CB HIS A 95 -9.306 18.406 -2.546 1.00 0.00 C ATOM 1536 CG HIS A 95 -8.296 19.484 -2.260 1.00 0.00 C ATOM 1537 ND1 HIS A 95 -7.353 19.899 -3.172 1.00 0.00 N ATOM 1538 CD2 HIS A 95 -8.096 20.240 -1.152 1.00 0.00 C ATOM 1539 CE1 HIS A 95 -6.618 20.857 -2.640 1.00 0.00 C ATOM 1540 NE2 HIS A 95 -7.049 21.086 -1.414 1.00 0.00 N ATOM 0 H HIS A 95 -10.857 16.507 -2.605 1.00 0.00 H new ATOM 0 HA HIS A 95 -8.074 16.640 -2.764 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -9.516 18.399 -3.615 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -10.238 18.657 -2.039 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -8.658 20.186 -0.232 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -5.800 21.368 -3.127 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -6.667 21.777 -0.769 1.00 0.00 H new ATOM 1548 N THR A 96 -7.110 16.555 -0.526 1.00 0.00 N ATOM 1549 CA THR A 96 -6.375 16.718 0.716 1.00 0.00 C ATOM 1550 C THR A 96 -4.994 17.298 0.427 1.00 0.00 C ATOM 1551 O THR A 96 -4.166 16.662 -0.227 1.00 0.00 O ATOM 1552 CB THR A 96 -6.226 15.388 1.475 1.00 0.00 C ATOM 1553 OG1 THR A 96 -5.798 14.354 0.578 1.00 0.00 O ATOM 1554 CG2 THR A 96 -7.535 14.992 2.136 1.00 0.00 C ATOM 0 H THR A 96 -6.597 16.054 -1.251 1.00 0.00 H new ATOM 0 HA THR A 96 -6.943 17.401 1.347 1.00 0.00 H new ATOM 0 HB THR A 96 -5.474 15.521 2.253 1.00 0.00 H new ATOM 0 HG1 THR A 96 -5.110 14.707 -0.024 1.00 0.00 H new ATOM 0 HG21 THR A 96 -7.404 14.049 2.666 1.00 0.00 H new ATOM 0 HG22 THR A 96 -7.835 15.766 2.842 1.00 0.00 H new ATOM 0 HG23 THR A 96 -8.307 14.876 1.375 1.00 0.00 H new ATOM 1562 N GLU A 97 -4.758 18.508 0.902 1.00 0.00 N ATOM 1563 CA GLU A 97 -3.519 19.213 0.612 1.00 0.00 C ATOM 1564 C GLU A 97 -2.559 19.123 1.791 1.00 0.00 C ATOM 1565 O GLU A 97 -2.829 19.653 2.870 1.00 0.00 O ATOM 1566 CB GLU A 97 -3.813 20.674 0.274 1.00 0.00 C ATOM 1567 CG GLU A 97 -2.587 21.453 -0.165 1.00 0.00 C ATOM 1568 CD GLU A 97 -2.928 22.861 -0.595 1.00 0.00 C ATOM 1569 OE1 GLU A 97 -3.313 23.049 -1.766 1.00 0.00 O ATOM 1570 OE2 GLU A 97 -2.812 23.787 0.234 1.00 0.00 O ATOM 0 H GLU A 97 -5.409 19.025 1.492 1.00 0.00 H new ATOM 0 HA GLU A 97 -3.045 18.741 -0.249 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -4.561 20.712 -0.518 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -4.249 21.160 1.147 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -1.869 21.489 0.654 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -2.103 20.930 -0.990 1.00 0.00 H new ATOM 1577 N GLY A 98 -1.449 18.427 1.584 1.00 0.00 N ATOM 1578 CA GLY A 98 -0.465 18.260 2.638 1.00 0.00 C ATOM 1579 C GLY A 98 -0.781 17.072 3.518 1.00 0.00 C ATOM 1580 O GLY A 98 0.081 16.559 4.230 1.00 0.00 O ATOM 0 H GLY A 98 -1.211 17.973 0.702 1.00 0.00 H new ATOM 0 HA2 GLY A 98 0.523 18.132 2.196 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -0.427 19.163 3.247 1.00 0.00 H new ATOM 1584 N GLN A 99 -2.024 16.630 3.458 1.00 0.00 N ATOM 1585 CA GLN A 99 -2.476 15.497 4.241 1.00 0.00 C ATOM 1586 C GLN A 99 -2.329 14.221 3.433 1.00 0.00 C ATOM 1587 O GLN A 99 -3.009 14.032 2.422 1.00 0.00 O ATOM 1588 CB GLN A 99 -3.929 15.697 4.676 1.00 0.00 C ATOM 1589 CG GLN A 99 -4.098 16.804 5.704 1.00 0.00 C ATOM 1590 CD GLN A 99 -5.551 17.129 5.991 1.00 0.00 C ATOM 1591 OE1 GLN A 99 -6.431 16.276 5.866 1.00 0.00 O ATOM 1592 NE2 GLN A 99 -5.811 18.363 6.392 1.00 0.00 N ATOM 0 H GLN A 99 -2.745 17.045 2.868 1.00 0.00 H new ATOM 0 HA GLN A 99 -1.861 15.416 5.137 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -4.536 15.927 3.800 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -4.309 14.763 5.091 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -3.607 16.509 6.632 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -3.594 17.703 5.348 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -5.053 19.040 6.483 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -6.769 18.637 6.610 1.00 0.00 H new ATOM 1601 N LEU A 100 -1.418 13.362 3.861 1.00 0.00 N ATOM 1602 CA LEU A 100 -1.168 12.115 3.164 1.00 0.00 C ATOM 1603 C LEU A 100 -2.284 11.120 3.416 1.00 0.00 C ATOM 1604 O LEU A 100 -2.362 10.511 4.485 1.00 0.00 O ATOM 1605 CB LEU A 100 0.174 11.512 3.587 1.00 0.00 C ATOM 1606 CG LEU A 100 1.407 12.202 3.006 1.00 0.00 C ATOM 1607 CD1 LEU A 100 2.676 11.530 3.505 1.00 0.00 C ATOM 1608 CD2 LEU A 100 1.355 12.177 1.487 1.00 0.00 C ATOM 0 H LEU A 100 -0.840 13.507 4.689 1.00 0.00 H new ATOM 0 HA LEU A 100 -1.131 12.335 2.097 1.00 0.00 H new ATOM 0 HB2 LEU A 100 0.240 11.540 4.675 1.00 0.00 H new ATOM 0 HB3 LEU A 100 0.192 10.463 3.293 1.00 0.00 H new ATOM 0 HG LEU A 100 1.414 13.240 3.338 1.00 0.00 H new ATOM 0 HD11 LEU A 100 3.545 12.034 3.082 1.00 0.00 H new ATOM 0 HD12 LEU A 100 2.716 11.590 4.593 1.00 0.00 H new ATOM 0 HD13 LEU A 100 2.678 10.484 3.199 1.00 0.00 H new ATOM 0 HD21 LEU A 100 2.239 12.672 1.084 1.00 0.00 H new ATOM 0 HD22 LEU A 100 1.328 11.144 1.141 1.00 0.00 H new ATOM 0 HD23 LEU A 100 0.461 12.698 1.145 1.00 0.00 H new ATOM 1620 N GLN A 101 -3.168 10.981 2.442 1.00 0.00 N ATOM 1621 CA GLN A 101 -4.204 9.975 2.518 1.00 0.00 C ATOM 1622 C GLN A 101 -3.701 8.673 1.936 1.00 0.00 C ATOM 1623 O GLN A 101 -3.804 8.434 0.733 1.00 0.00 O ATOM 1624 CB GLN A 101 -5.480 10.408 1.795 1.00 0.00 C ATOM 1625 CG GLN A 101 -6.310 11.417 2.567 1.00 0.00 C ATOM 1626 CD GLN A 101 -7.715 11.555 2.011 1.00 0.00 C ATOM 1627 OE1 GLN A 101 -8.662 11.824 2.750 1.00 0.00 O ATOM 1628 NE2 GLN A 101 -7.862 11.377 0.709 1.00 0.00 N ATOM 0 H GLN A 101 -3.186 11.550 1.596 1.00 0.00 H new ATOM 0 HA GLN A 101 -4.452 9.839 3.571 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -5.212 10.836 0.829 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -6.090 9.527 1.595 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -6.364 11.115 3.613 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -5.815 12.388 2.541 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -7.052 11.155 0.130 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -8.785 11.462 0.284 1.00 0.00 H new ATOM 1637 N ASN A 102 -3.104 7.857 2.786 1.00 0.00 N ATOM 1638 CA ASN A 102 -2.688 6.528 2.387 1.00 0.00 C ATOM 1639 C ASN A 102 -3.930 5.692 2.142 1.00 0.00 C ATOM 1640 O ASN A 102 -4.640 5.330 3.084 1.00 0.00 O ATOM 1641 CB ASN A 102 -1.806 5.870 3.458 1.00 0.00 C ATOM 1642 CG ASN A 102 -0.515 6.629 3.726 1.00 0.00 C ATOM 1643 OD1 ASN A 102 -0.462 7.856 3.645 1.00 0.00 O ATOM 1644 ND2 ASN A 102 0.538 5.900 4.059 1.00 0.00 N ATOM 0 H ASN A 102 -2.897 8.093 3.757 1.00 0.00 H new ATOM 0 HA ASN A 102 -2.092 6.598 1.477 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -2.372 5.791 4.386 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -1.564 4.854 3.145 1.00 0.00 H new ATOM 0 HD21 ASN A 102 1.430 6.353 4.258 1.00 0.00 H new ATOM 0 HD22 ASN A 102 0.458 4.885 4.117 1.00 0.00 H new ATOM 1651 N GLU A 103 -4.191 5.387 0.886 1.00 0.00 N ATOM 1652 CA GLU A 103 -5.436 4.752 0.513 1.00 0.00 C ATOM 1653 C GLU A 103 -5.274 3.247 0.520 1.00 0.00 C ATOM 1654 O GLU A 103 -4.642 2.658 -0.362 1.00 0.00 O ATOM 1655 CB GLU A 103 -5.897 5.252 -0.860 1.00 0.00 C ATOM 1656 CG GLU A 103 -7.168 4.589 -1.370 1.00 0.00 C ATOM 1657 CD GLU A 103 -8.300 4.622 -0.362 1.00 0.00 C ATOM 1658 OE1 GLU A 103 -8.796 5.721 -0.049 1.00 0.00 O ATOM 1659 OE2 GLU A 103 -8.704 3.542 0.122 1.00 0.00 O ATOM 0 H GLU A 103 -3.557 5.569 0.108 1.00 0.00 H new ATOM 0 HA GLU A 103 -6.203 5.015 1.242 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -6.058 6.329 -0.807 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -5.098 5.085 -1.582 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -7.489 5.087 -2.285 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -6.951 3.553 -1.631 1.00 0.00 H new ATOM 1666 N GLU A 104 -5.816 2.641 1.558 1.00 0.00 N ATOM 1667 CA GLU A 104 -5.771 1.210 1.722 1.00 0.00 C ATOM 1668 C GLU A 104 -6.983 0.567 1.072 1.00 0.00 C ATOM 1669 O GLU A 104 -8.096 0.600 1.605 1.00 0.00 O ATOM 1670 CB GLU A 104 -5.697 0.852 3.203 1.00 0.00 C ATOM 1671 CG GLU A 104 -6.682 1.624 4.063 1.00 0.00 C ATOM 1672 CD GLU A 104 -6.611 1.233 5.516 1.00 0.00 C ATOM 1673 OE1 GLU A 104 -5.592 1.542 6.162 1.00 0.00 O ATOM 1674 OE2 GLU A 104 -7.575 0.626 6.022 1.00 0.00 O ATOM 0 H GLU A 104 -6.300 3.132 2.310 1.00 0.00 H new ATOM 0 HA GLU A 104 -4.877 0.827 1.231 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -5.883 -0.216 3.320 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -4.686 1.041 3.564 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -6.484 2.692 3.967 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -7.693 1.453 3.693 1.00 0.00 H new ATOM 1681 N ILE A 105 -6.759 0.001 -0.093 1.00 0.00 N ATOM 1682 CA ILE A 105 -7.808 -0.669 -0.824 1.00 0.00 C ATOM 1683 C ILE A 105 -8.020 -2.057 -0.243 1.00 0.00 C ATOM 1684 O ILE A 105 -7.259 -2.981 -0.529 1.00 0.00 O ATOM 1685 CB ILE A 105 -7.458 -0.789 -2.324 1.00 0.00 C ATOM 1686 CG1 ILE A 105 -7.104 0.583 -2.914 1.00 0.00 C ATOM 1687 CG2 ILE A 105 -8.612 -1.412 -3.091 1.00 0.00 C ATOM 1688 CD1 ILE A 105 -8.245 1.575 -2.886 1.00 0.00 C ATOM 0 H ILE A 105 -5.851 -0.007 -0.557 1.00 0.00 H new ATOM 0 HA ILE A 105 -8.720 -0.079 -0.732 1.00 0.00 H new ATOM 0 HB ILE A 105 -6.586 -1.437 -2.418 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -6.261 0.998 -2.362 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -6.776 0.451 -3.945 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -8.348 -1.489 -4.146 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -8.817 -2.406 -2.695 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -9.499 -0.788 -2.983 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -7.917 2.520 -3.320 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -9.083 1.183 -3.463 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -8.559 1.739 -1.855 1.00 0.00 H new ATOM 1700 N VAL A 106 -9.024 -2.188 0.610 1.00 0.00 N ATOM 1701 CA VAL A 106 -9.342 -3.474 1.206 1.00 0.00 C ATOM 1702 C VAL A 106 -10.034 -4.365 0.183 1.00 0.00 C ATOM 1703 O VAL A 106 -11.256 -4.344 0.025 1.00 0.00 O ATOM 1704 CB VAL A 106 -10.203 -3.330 2.483 1.00 0.00 C ATOM 1705 CG1 VAL A 106 -9.359 -2.793 3.628 1.00 0.00 C ATOM 1706 CG2 VAL A 106 -11.402 -2.417 2.246 1.00 0.00 C ATOM 0 H VAL A 106 -9.630 -1.422 0.904 1.00 0.00 H new ATOM 0 HA VAL A 106 -8.404 -3.940 1.510 1.00 0.00 H new ATOM 0 HB VAL A 106 -10.578 -4.319 2.745 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -9.977 -2.696 4.521 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -8.537 -3.481 3.828 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -8.957 -1.817 3.357 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -11.986 -2.338 3.163 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -11.053 -1.427 1.951 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -12.025 -2.833 1.454 1.00 0.00 H new ATOM 1716 N ALA A 107 -9.234 -5.128 -0.537 1.00 0.00 N ATOM 1717 CA ALA A 107 -9.740 -5.912 -1.647 1.00 0.00 C ATOM 1718 C ALA A 107 -8.955 -7.195 -1.813 1.00 0.00 C ATOM 1719 O ALA A 107 -7.763 -7.172 -2.119 1.00 0.00 O ATOM 1720 CB ALA A 107 -9.696 -5.102 -2.927 1.00 0.00 C ATOM 0 H ALA A 107 -8.232 -5.222 -0.373 1.00 0.00 H new ATOM 0 HA ALA A 107 -10.775 -6.174 -1.429 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -10.079 -5.703 -3.752 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -10.310 -4.209 -2.814 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -8.667 -4.810 -3.138 1.00 0.00 H new ATOM 1726 N HIS A 108 -9.632 -8.309 -1.613 1.00 0.00 N ATOM 1727 CA HIS A 108 -9.012 -9.610 -1.779 1.00 0.00 C ATOM 1728 C HIS A 108 -9.452 -10.244 -3.090 1.00 0.00 C ATOM 1729 O HIS A 108 -10.616 -10.605 -3.264 1.00 0.00 O ATOM 1730 CB HIS A 108 -9.287 -10.538 -0.583 1.00 0.00 C ATOM 1731 CG HIS A 108 -10.653 -10.412 0.024 1.00 0.00 C ATOM 1732 ND1 HIS A 108 -11.701 -11.246 -0.289 1.00 0.00 N ATOM 1733 CD2 HIS A 108 -11.129 -9.546 0.950 1.00 0.00 C ATOM 1734 CE1 HIS A 108 -12.763 -10.899 0.414 1.00 0.00 C ATOM 1735 NE2 HIS A 108 -12.444 -9.870 1.176 1.00 0.00 N ATOM 0 H HIS A 108 -10.613 -8.340 -1.335 1.00 0.00 H new ATOM 0 HA HIS A 108 -7.933 -9.462 -1.815 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -9.144 -11.570 -0.904 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -8.544 -10.338 0.189 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -10.576 -8.748 1.423 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -13.731 -11.377 0.372 1.00 0.00 H new ATOM 0 HE2 HIS A 108 -13.070 -9.394 1.825 1.00 0.00 H new ATOM 1743 N GLY A 109 -8.508 -10.346 -4.014 1.00 0.00 N ATOM 1744 CA GLY A 109 -8.785 -10.874 -5.335 1.00 0.00 C ATOM 1745 C GLY A 109 -7.528 -11.402 -5.998 1.00 0.00 C ATOM 1746 O GLY A 109 -6.420 -11.165 -5.512 1.00 0.00 O ATOM 0 H GLY A 109 -7.538 -10.067 -3.868 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -9.522 -11.674 -5.261 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -9.224 -10.093 -5.955 1.00 0.00 H new ATOM 1750 N SER A 110 -7.693 -12.118 -7.100 1.00 0.00 N ATOM 1751 CA SER A 110 -6.559 -12.673 -7.823 1.00 0.00 C ATOM 1752 C SER A 110 -6.355 -11.932 -9.141 1.00 0.00 C ATOM 1753 O SER A 110 -7.309 -11.719 -9.890 1.00 0.00 O ATOM 1754 CB SER A 110 -6.791 -14.160 -8.092 1.00 0.00 C ATOM 1755 OG SER A 110 -7.230 -14.826 -6.917 1.00 0.00 O ATOM 0 H SER A 110 -8.602 -12.328 -7.513 1.00 0.00 H new ATOM 0 HA SER A 110 -5.663 -12.555 -7.213 1.00 0.00 H new ATOM 0 HB2 SER A 110 -7.533 -14.279 -8.881 1.00 0.00 H new ATOM 0 HB3 SER A 110 -5.869 -14.617 -8.451 1.00 0.00 H new ATOM 0 HG SER A 110 -7.374 -15.775 -7.113 1.00 0.00 H new ATOM 1761 N ALA A 111 -5.120 -11.532 -9.415 1.00 0.00 N ATOM 1762 CA ALA A 111 -4.799 -10.850 -10.660 1.00 0.00 C ATOM 1763 C ALA A 111 -3.321 -10.998 -10.989 1.00 0.00 C ATOM 1764 O ALA A 111 -2.495 -11.202 -10.097 1.00 0.00 O ATOM 1765 CB ALA A 111 -5.175 -9.377 -10.581 1.00 0.00 C ATOM 0 H ALA A 111 -4.325 -11.669 -8.791 1.00 0.00 H new ATOM 0 HA ALA A 111 -5.380 -11.313 -11.457 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -4.926 -8.887 -11.522 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -6.245 -9.284 -10.395 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -4.623 -8.904 -9.769 1.00 0.00 H new ATOM 1771 N THR A 112 -3.005 -10.912 -12.268 1.00 0.00 N ATOM 1772 CA THR A 112 -1.629 -10.974 -12.735 1.00 0.00 C ATOM 1773 C THR A 112 -1.228 -9.646 -13.374 1.00 0.00 C ATOM 1774 O THR A 112 -0.080 -9.203 -13.268 1.00 0.00 O ATOM 1775 CB THR A 112 -1.461 -12.112 -13.754 1.00 0.00 C ATOM 1776 OG1 THR A 112 -2.585 -12.114 -14.642 1.00 0.00 O ATOM 1777 CG2 THR A 112 -1.350 -13.460 -13.058 1.00 0.00 C ATOM 0 H THR A 112 -3.693 -10.797 -13.013 1.00 0.00 H new ATOM 0 HA THR A 112 -0.983 -11.167 -11.879 1.00 0.00 H new ATOM 0 HB THR A 112 -0.541 -11.947 -14.315 1.00 0.00 H new ATOM 0 HG1 THR A 112 -2.300 -12.416 -15.530 1.00 0.00 H new ATOM 0 HG21 THR A 112 -1.232 -14.246 -13.804 1.00 0.00 H new ATOM 0 HG22 THR A 112 -0.485 -13.457 -12.394 1.00 0.00 H new ATOM 0 HG23 THR A 112 -2.253 -13.645 -12.476 1.00 0.00 H new ATOM 1785 N TYR A 113 -2.193 -9.023 -14.037 1.00 0.00 N ATOM 1786 CA TYR A 113 -2.008 -7.720 -14.656 1.00 0.00 C ATOM 1787 C TYR A 113 -3.025 -6.730 -14.098 1.00 0.00 C ATOM 1788 O TYR A 113 -4.214 -7.036 -14.019 1.00 0.00 O ATOM 1789 CB TYR A 113 -2.177 -7.819 -16.178 1.00 0.00 C ATOM 1790 CG TYR A 113 -1.031 -8.497 -16.900 1.00 0.00 C ATOM 1791 CD1 TYR A 113 -0.844 -9.872 -16.827 1.00 0.00 C ATOM 1792 CD2 TYR A 113 -0.137 -7.755 -17.663 1.00 0.00 C ATOM 1793 CE1 TYR A 113 0.202 -10.487 -17.490 1.00 0.00 C ATOM 1794 CE2 TYR A 113 0.907 -8.362 -18.329 1.00 0.00 C ATOM 1795 CZ TYR A 113 1.075 -9.726 -18.238 1.00 0.00 C ATOM 1796 OH TYR A 113 2.121 -10.329 -18.896 1.00 0.00 O ATOM 0 H TYR A 113 -3.129 -9.410 -14.160 1.00 0.00 H new ATOM 0 HA TYR A 113 -0.999 -7.373 -14.433 1.00 0.00 H new ATOM 0 HB2 TYR A 113 -3.097 -8.363 -16.393 1.00 0.00 H new ATOM 0 HB3 TYR A 113 -2.299 -6.814 -16.582 1.00 0.00 H new ATOM 0 HD1 TYR A 113 -1.527 -10.470 -16.243 1.00 0.00 H new ATOM 0 HD2 TYR A 113 -0.262 -6.685 -17.736 1.00 0.00 H new ATOM 0 HE1 TYR A 113 0.334 -11.557 -17.422 1.00 0.00 H new ATOM 0 HE2 TYR A 113 1.590 -7.770 -18.920 1.00 0.00 H new ATOM 0 HH TYR A 113 2.639 -9.651 -19.377 1.00 0.00 H new ATOM 1806 N LEU A 114 -2.558 -5.561 -13.695 1.00 0.00 N ATOM 1807 CA LEU A 114 -3.450 -4.500 -13.242 1.00 0.00 C ATOM 1808 C LEU A 114 -3.162 -3.208 -13.991 1.00 0.00 C ATOM 1809 O LEU A 114 -2.026 -2.740 -14.015 1.00 0.00 O ATOM 1810 CB LEU A 114 -3.305 -4.261 -11.735 1.00 0.00 C ATOM 1811 CG LEU A 114 -3.838 -5.376 -10.833 1.00 0.00 C ATOM 1812 CD1 LEU A 114 -3.621 -5.018 -9.372 1.00 0.00 C ATOM 1813 CD2 LEU A 114 -5.315 -5.625 -11.102 1.00 0.00 C ATOM 0 H LEU A 114 -1.567 -5.320 -13.671 1.00 0.00 H new ATOM 0 HA LEU A 114 -4.472 -4.817 -13.448 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -2.249 -4.110 -11.510 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -3.821 -3.335 -11.481 1.00 0.00 H new ATOM 0 HG LEU A 114 -3.290 -6.291 -11.056 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -4.004 -5.819 -8.740 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -2.555 -4.886 -9.184 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -4.147 -4.091 -9.142 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -5.674 -6.421 -10.450 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -5.879 -4.713 -10.906 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -5.451 -5.919 -12.143 1.00 0.00 H new ATOM 1825 N ARG A 115 -4.184 -2.624 -14.593 1.00 0.00 N ATOM 1826 CA ARG A 115 -4.009 -1.374 -15.310 1.00 0.00 C ATOM 1827 C ARG A 115 -4.614 -0.238 -14.510 1.00 0.00 C ATOM 1828 O ARG A 115 -5.830 -0.160 -14.349 1.00 0.00 O ATOM 1829 CB ARG A 115 -4.662 -1.410 -16.697 1.00 0.00 C ATOM 1830 CG ARG A 115 -4.136 -0.319 -17.625 1.00 0.00 C ATOM 1831 CD ARG A 115 -5.195 0.203 -18.585 1.00 0.00 C ATOM 1832 NE ARG A 115 -5.883 -0.858 -19.313 1.00 0.00 N ATOM 1833 CZ ARG A 115 -5.849 -1.011 -20.636 1.00 0.00 C ATOM 1834 NH1 ARG A 115 -5.132 -0.196 -21.402 1.00 0.00 N ATOM 1835 NH2 ARG A 115 -6.563 -1.973 -21.197 1.00 0.00 N ATOM 0 H ARG A 115 -5.135 -2.992 -14.600 1.00 0.00 H new ATOM 0 HA ARG A 115 -2.938 -1.221 -15.443 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -4.485 -2.385 -17.152 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -5.741 -1.300 -16.589 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -3.756 0.509 -17.026 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -3.295 -0.710 -18.197 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -5.927 0.786 -18.026 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -4.727 0.880 -19.299 1.00 0.00 H new ATOM 0 HE ARG A 115 -6.428 -1.529 -18.771 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -4.596 0.562 -20.979 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -5.118 -0.328 -22.413 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -7.133 -2.589 -20.617 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -6.544 -2.098 -22.209 1.00 0.00 H new ATOM 1849 N PHE A 116 -3.763 0.625 -13.990 1.00 0.00 N ATOM 1850 CA PHE A 116 -4.223 1.800 -13.280 1.00 0.00 C ATOM 1851 C PHE A 116 -4.503 2.919 -14.271 1.00 0.00 C ATOM 1852 O PHE A 116 -3.584 3.454 -14.902 1.00 0.00 O ATOM 1853 CB PHE A 116 -3.198 2.254 -12.241 1.00 0.00 C ATOM 1854 CG PHE A 116 -3.144 1.393 -11.008 1.00 0.00 C ATOM 1855 CD1 PHE A 116 -3.957 1.674 -9.923 1.00 0.00 C ATOM 1856 CD2 PHE A 116 -2.272 0.317 -10.926 1.00 0.00 C ATOM 1857 CE1 PHE A 116 -3.908 0.900 -8.780 1.00 0.00 C ATOM 1858 CE2 PHE A 116 -2.216 -0.461 -9.783 1.00 0.00 C ATOM 1859 CZ PHE A 116 -3.037 -0.168 -8.708 1.00 0.00 C ATOM 0 H PHE A 116 -2.749 0.533 -14.047 1.00 0.00 H new ATOM 0 HA PHE A 116 -5.142 1.547 -12.752 1.00 0.00 H new ATOM 0 HB2 PHE A 116 -2.211 2.269 -12.703 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -3.427 3.278 -11.945 1.00 0.00 H new ATOM 0 HD1 PHE A 116 -4.639 2.510 -9.971 1.00 0.00 H new ATOM 0 HD2 PHE A 116 -1.630 0.084 -11.763 1.00 0.00 H new ATOM 0 HE1 PHE A 116 -4.551 1.130 -7.943 1.00 0.00 H new ATOM 0 HE2 PHE A 116 -1.533 -1.296 -9.730 1.00 0.00 H new ATOM 0 HZ PHE A 116 -2.996 -0.774 -7.815 1.00 0.00 H new ATOM 1869 N ILE A 117 -5.776 3.229 -14.437 1.00 0.00 N ATOM 1870 CA ILE A 117 -6.201 4.291 -15.328 1.00 0.00 C ATOM 1871 C ILE A 117 -6.645 5.500 -14.520 1.00 0.00 C ATOM 1872 O ILE A 117 -7.737 5.510 -13.952 1.00 0.00 O ATOM 1873 CB ILE A 117 -7.374 3.849 -16.231 1.00 0.00 C ATOM 1874 CG1 ILE A 117 -7.067 2.509 -16.902 1.00 0.00 C ATOM 1875 CG2 ILE A 117 -7.657 4.916 -17.283 1.00 0.00 C ATOM 1876 CD1 ILE A 117 -8.220 1.954 -17.711 1.00 0.00 C ATOM 0 H ILE A 117 -6.541 2.753 -13.959 1.00 0.00 H new ATOM 0 HA ILE A 117 -5.349 4.542 -15.959 1.00 0.00 H new ATOM 0 HB ILE A 117 -8.260 3.723 -15.609 1.00 0.00 H new ATOM 0 HG12 ILE A 117 -6.202 2.629 -17.554 1.00 0.00 H new ATOM 0 HG13 ILE A 117 -6.790 1.784 -16.136 1.00 0.00 H new ATOM 0 HG21 ILE A 117 -8.485 4.594 -17.914 1.00 0.00 H new ATOM 0 HG22 ILE A 117 -7.919 5.852 -16.790 1.00 0.00 H new ATOM 0 HG23 ILE A 117 -6.769 5.065 -17.898 1.00 0.00 H new ATOM 0 HD11 ILE A 117 -7.928 1.003 -18.156 1.00 0.00 H new ATOM 0 HD12 ILE A 117 -9.081 1.800 -17.060 1.00 0.00 H new ATOM 0 HD13 ILE A 117 -8.483 2.658 -18.500 1.00 0.00 H new ATOM 1888 N ILE A 118 -5.794 6.506 -14.444 1.00 0.00 N ATOM 1889 CA ILE A 118 -6.168 7.745 -13.792 1.00 0.00 C ATOM 1890 C ILE A 118 -6.815 8.664 -14.818 1.00 0.00 C ATOM 1891 O ILE A 118 -6.131 9.291 -15.630 1.00 0.00 O ATOM 1892 CB ILE A 118 -4.967 8.450 -13.126 1.00 0.00 C ATOM 1893 CG1 ILE A 118 -4.235 7.480 -12.192 1.00 0.00 C ATOM 1894 CG2 ILE A 118 -5.437 9.675 -12.351 1.00 0.00 C ATOM 1895 CD1 ILE A 118 -3.006 8.074 -11.537 1.00 0.00 C ATOM 0 H ILE A 118 -4.847 6.490 -14.822 1.00 0.00 H new ATOM 0 HA ILE A 118 -6.872 7.508 -12.994 1.00 0.00 H new ATOM 0 HB ILE A 118 -4.276 8.774 -13.905 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -4.924 7.148 -11.416 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -3.942 6.596 -12.758 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -4.580 10.163 -11.886 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -5.925 10.372 -13.033 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -6.143 9.368 -11.579 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -2.542 7.329 -10.891 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -2.296 8.381 -12.305 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -3.294 8.941 -10.942 1.00 0.00 H new ATOM 1907 N VAL A 119 -8.138 8.693 -14.803 1.00 0.00 N ATOM 1908 CA VAL A 119 -8.900 9.432 -15.796 1.00 0.00 C ATOM 1909 C VAL A 119 -9.006 10.903 -15.418 1.00 0.00 C ATOM 1910 O VAL A 119 -8.776 11.788 -16.242 1.00 0.00 O ATOM 1911 CB VAL A 119 -10.321 8.848 -15.961 1.00 0.00 C ATOM 1912 CG1 VAL A 119 -11.059 9.530 -17.104 1.00 0.00 C ATOM 1913 CG2 VAL A 119 -10.265 7.345 -16.181 1.00 0.00 C ATOM 0 H VAL A 119 -8.709 8.210 -14.109 1.00 0.00 H new ATOM 0 HA VAL A 119 -8.366 9.340 -16.742 1.00 0.00 H new ATOM 0 HB VAL A 119 -10.872 9.038 -15.040 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -12.057 9.101 -17.200 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -11.141 10.597 -16.899 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -10.509 9.380 -18.033 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -11.277 6.956 -16.294 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -9.690 7.130 -17.082 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -9.787 6.869 -15.324 1.00 0.00 H new ATOM 1923 N SER A 120 -9.339 11.159 -14.164 1.00 0.00 N ATOM 1924 CA SER A 120 -9.553 12.516 -13.700 1.00 0.00 C ATOM 1925 C SER A 120 -8.710 12.803 -12.466 1.00 0.00 C ATOM 1926 O SER A 120 -8.746 12.055 -11.484 1.00 0.00 O ATOM 1927 CB SER A 120 -11.034 12.734 -13.395 1.00 0.00 C ATOM 1928 OG SER A 120 -11.837 12.383 -14.512 1.00 0.00 O ATOM 0 H SER A 120 -9.467 10.442 -13.449 1.00 0.00 H new ATOM 0 HA SER A 120 -9.248 13.205 -14.487 1.00 0.00 H new ATOM 0 HB2 SER A 120 -11.324 12.136 -12.531 1.00 0.00 H new ATOM 0 HB3 SER A 120 -11.206 13.778 -13.132 1.00 0.00 H new ATOM 0 HG SER A 120 -12.781 12.529 -14.295 1.00 0.00 H new ATOM 1934 N ALA A 121 -7.949 13.883 -12.525 1.00 0.00 N ATOM 1935 CA ALA A 121 -7.106 14.290 -11.415 1.00 0.00 C ATOM 1936 C ALA A 121 -7.414 15.727 -11.022 1.00 0.00 C ATOM 1937 O ALA A 121 -7.978 16.485 -11.815 1.00 0.00 O ATOM 1938 CB ALA A 121 -5.638 14.140 -11.784 1.00 0.00 C ATOM 0 H ALA A 121 -7.898 14.498 -13.337 1.00 0.00 H new ATOM 0 HA ALA A 121 -7.314 13.645 -10.561 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -5.018 14.449 -10.942 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -5.428 13.098 -12.026 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -5.414 14.765 -12.648 1.00 0.00 H new ATOM 1944 N PHE A 122 -7.045 16.100 -9.803 1.00 0.00 N ATOM 1945 CA PHE A 122 -7.291 17.450 -9.307 1.00 0.00 C ATOM 1946 C PHE A 122 -6.387 18.451 -10.015 1.00 0.00 C ATOM 1947 O PHE A 122 -6.745 19.613 -10.201 1.00 0.00 O ATOM 1948 CB PHE A 122 -7.051 17.525 -7.798 1.00 0.00 C ATOM 1949 CG PHE A 122 -7.913 16.594 -6.994 1.00 0.00 C ATOM 1950 CD1 PHE A 122 -9.281 16.786 -6.920 1.00 0.00 C ATOM 1951 CD2 PHE A 122 -7.349 15.533 -6.307 1.00 0.00 C ATOM 1952 CE1 PHE A 122 -10.072 15.936 -6.176 1.00 0.00 C ATOM 1953 CE2 PHE A 122 -8.136 14.677 -5.562 1.00 0.00 C ATOM 1954 CZ PHE A 122 -9.499 14.880 -5.496 1.00 0.00 C ATOM 0 H PHE A 122 -6.574 15.486 -9.138 1.00 0.00 H new ATOM 0 HA PHE A 122 -8.332 17.698 -9.513 1.00 0.00 H new ATOM 0 HB2 PHE A 122 -6.004 17.300 -7.596 1.00 0.00 H new ATOM 0 HB3 PHE A 122 -7.228 18.547 -7.463 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -9.734 17.610 -7.451 1.00 0.00 H new ATOM 0 HD2 PHE A 122 -6.282 15.373 -6.354 1.00 0.00 H new ATOM 0 HE1 PHE A 122 -11.139 16.096 -6.125 1.00 0.00 H new ATOM 0 HE2 PHE A 122 -7.686 13.851 -5.032 1.00 0.00 H new ATOM 0 HZ PHE A 122 -10.117 14.213 -4.913 1.00 0.00 H new ATOM 1964 N ASP A 123 -5.214 17.984 -10.408 1.00 0.00 N ATOM 1965 CA ASP A 123 -4.237 18.827 -11.081 1.00 0.00 C ATOM 1966 C ASP A 123 -3.989 18.270 -12.479 1.00 0.00 C ATOM 1967 O ASP A 123 -4.688 17.355 -12.914 1.00 0.00 O ATOM 1968 CB ASP A 123 -2.930 18.872 -10.274 1.00 0.00 C ATOM 1969 CG ASP A 123 -2.094 20.107 -10.561 1.00 0.00 C ATOM 1970 OD1 ASP A 123 -1.423 20.149 -11.613 1.00 0.00 O ATOM 1971 OD2 ASP A 123 -2.103 21.044 -9.733 1.00 0.00 O ATOM 0 H ASP A 123 -4.913 17.019 -10.272 1.00 0.00 H new ATOM 0 HA ASP A 123 -4.617 19.845 -11.160 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -3.166 18.839 -9.210 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -2.341 17.982 -10.497 1.00 0.00 H new ATOM 1976 N HIS A 124 -3.014 18.815 -13.182 1.00 0.00 N ATOM 1977 CA HIS A 124 -2.666 18.317 -14.503 1.00 0.00 C ATOM 1978 C HIS A 124 -1.429 17.441 -14.411 1.00 0.00 C ATOM 1979 O HIS A 124 -0.994 16.846 -15.392 1.00 0.00 O ATOM 1980 CB HIS A 124 -2.431 19.467 -15.487 1.00 0.00 C ATOM 1981 CG HIS A 124 -3.654 20.293 -15.750 1.00 0.00 C ATOM 1982 ND1 HIS A 124 -4.653 19.910 -16.617 1.00 0.00 N ATOM 1983 CD2 HIS A 124 -4.036 21.492 -15.251 1.00 0.00 C ATOM 1984 CE1 HIS A 124 -5.592 20.835 -16.642 1.00 0.00 C ATOM 1985 NE2 HIS A 124 -5.244 21.807 -15.821 1.00 0.00 N ATOM 0 H HIS A 124 -2.449 19.602 -12.863 1.00 0.00 H new ATOM 0 HA HIS A 124 -3.501 17.725 -14.877 1.00 0.00 H new ATOM 0 HB2 HIS A 124 -1.644 20.113 -15.097 1.00 0.00 H new ATOM 0 HB3 HIS A 124 -2.069 19.058 -16.431 1.00 0.00 H new ATOM 0 HD2 HIS A 124 -3.491 22.090 -14.536 1.00 0.00 H new ATOM 0 HE1 HIS A 124 -6.494 20.802 -17.235 1.00 0.00 H new ATOM 0 HE2 HIS A 124 -5.784 22.653 -15.640 1.00 0.00 H new ATOM 1993 N PHE A 125 -0.861 17.373 -13.216 1.00 0.00 N ATOM 1994 CA PHE A 125 0.291 16.527 -12.970 1.00 0.00 C ATOM 1995 C PHE A 125 -0.017 15.551 -11.846 1.00 0.00 C ATOM 1996 O PHE A 125 -0.370 15.956 -10.739 1.00 0.00 O ATOM 1997 CB PHE A 125 1.513 17.376 -12.613 1.00 0.00 C ATOM 1998 CG PHE A 125 1.871 18.378 -13.672 1.00 0.00 C ATOM 1999 CD1 PHE A 125 2.481 17.974 -14.847 1.00 0.00 C ATOM 2000 CD2 PHE A 125 1.587 19.722 -13.496 1.00 0.00 C ATOM 2001 CE1 PHE A 125 2.804 18.893 -15.826 1.00 0.00 C ATOM 2002 CE2 PHE A 125 1.907 20.645 -14.472 1.00 0.00 C ATOM 2003 CZ PHE A 125 2.517 20.230 -15.638 1.00 0.00 C ATOM 0 H PHE A 125 -1.182 17.896 -12.401 1.00 0.00 H new ATOM 0 HA PHE A 125 0.515 15.966 -13.878 1.00 0.00 H new ATOM 0 HB2 PHE A 125 1.321 17.900 -11.677 1.00 0.00 H new ATOM 0 HB3 PHE A 125 2.366 16.719 -12.442 1.00 0.00 H new ATOM 0 HD1 PHE A 125 2.707 16.929 -15.000 1.00 0.00 H new ATOM 0 HD2 PHE A 125 1.110 20.052 -12.585 1.00 0.00 H new ATOM 0 HE1 PHE A 125 3.281 18.566 -16.738 1.00 0.00 H new ATOM 0 HE2 PHE A 125 1.680 21.690 -14.323 1.00 0.00 H new ATOM 0 HZ PHE A 125 2.769 20.950 -16.402 1.00 0.00 H new ATOM 2013 N ALA A 126 0.102 14.267 -12.136 1.00 0.00 N ATOM 2014 CA ALA A 126 -0.147 13.243 -11.140 1.00 0.00 C ATOM 2015 C ALA A 126 1.169 12.678 -10.639 1.00 0.00 C ATOM 2016 O ALA A 126 2.097 12.456 -11.420 1.00 0.00 O ATOM 2017 CB ALA A 126 -1.024 12.142 -11.713 1.00 0.00 C ATOM 0 H ALA A 126 0.370 13.910 -13.053 1.00 0.00 H new ATOM 0 HA ALA A 126 -0.677 13.691 -10.299 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -1.200 11.383 -10.951 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -1.977 12.564 -12.031 1.00 0.00 H new ATOM 0 HB3 ALA A 126 -0.525 11.688 -12.569 1.00 0.00 H new ATOM 2023 N SER A 127 1.257 12.471 -9.340 1.00 0.00 N ATOM 2024 CA SER A 127 2.476 11.972 -8.734 1.00 0.00 C ATOM 2025 C SER A 127 2.182 10.755 -7.866 1.00 0.00 C ATOM 2026 O SER A 127 1.515 10.864 -6.835 1.00 0.00 O ATOM 2027 CB SER A 127 3.124 13.075 -7.896 1.00 0.00 C ATOM 2028 OG SER A 127 3.304 14.253 -8.665 1.00 0.00 O ATOM 0 H SER A 127 0.497 12.641 -8.682 1.00 0.00 H new ATOM 0 HA SER A 127 3.164 11.671 -9.524 1.00 0.00 H new ATOM 0 HB2 SER A 127 2.500 13.293 -7.029 1.00 0.00 H new ATOM 0 HB3 SER A 127 4.087 12.732 -7.517 1.00 0.00 H new ATOM 0 HG SER A 127 3.718 14.946 -8.110 1.00 0.00 H new ATOM 2034 N VAL A 128 2.657 9.596 -8.294 1.00 0.00 N ATOM 2035 CA VAL A 128 2.481 8.377 -7.521 1.00 0.00 C ATOM 2036 C VAL A 128 3.708 8.129 -6.647 1.00 0.00 C ATOM 2037 O VAL A 128 4.792 7.825 -7.141 1.00 0.00 O ATOM 2038 CB VAL A 128 2.196 7.154 -8.430 1.00 0.00 C ATOM 2039 CG1 VAL A 128 3.243 7.019 -9.525 1.00 0.00 C ATOM 2040 CG2 VAL A 128 2.114 5.876 -7.607 1.00 0.00 C ATOM 0 H VAL A 128 3.166 9.474 -9.170 1.00 0.00 H new ATOM 0 HA VAL A 128 1.610 8.510 -6.880 1.00 0.00 H new ATOM 0 HB VAL A 128 1.231 7.318 -8.910 1.00 0.00 H new ATOM 0 HG11 VAL A 128 3.013 6.152 -10.144 1.00 0.00 H new ATOM 0 HG12 VAL A 128 3.241 7.917 -10.143 1.00 0.00 H new ATOM 0 HG13 VAL A 128 4.227 6.892 -9.074 1.00 0.00 H new ATOM 0 HG21 VAL A 128 1.913 5.031 -8.266 1.00 0.00 H new ATOM 0 HG22 VAL A 128 3.059 5.716 -7.089 1.00 0.00 H new ATOM 0 HG23 VAL A 128 1.310 5.965 -6.876 1.00 0.00 H new ATOM 2050 N HIS A 129 3.531 8.289 -5.343 1.00 0.00 N ATOM 2051 CA HIS A 129 4.636 8.167 -4.401 1.00 0.00 C ATOM 2052 C HIS A 129 5.044 6.710 -4.241 1.00 0.00 C ATOM 2053 O HIS A 129 6.209 6.357 -4.416 1.00 0.00 O ATOM 2054 CB HIS A 129 4.237 8.753 -3.042 1.00 0.00 C ATOM 2055 CG HIS A 129 5.352 8.795 -2.039 1.00 0.00 C ATOM 2056 ND1 HIS A 129 5.641 7.753 -1.182 1.00 0.00 N ATOM 2057 CD2 HIS A 129 6.240 9.775 -1.745 1.00 0.00 C ATOM 2058 CE1 HIS A 129 6.654 8.094 -0.406 1.00 0.00 C ATOM 2059 NE2 HIS A 129 7.036 9.316 -0.726 1.00 0.00 N ATOM 0 H HIS A 129 2.632 8.504 -4.912 1.00 0.00 H new ATOM 0 HA HIS A 129 5.487 8.724 -4.793 1.00 0.00 H new ATOM 0 HB2 HIS A 129 3.860 9.765 -3.192 1.00 0.00 H new ATOM 0 HB3 HIS A 129 3.416 8.164 -2.632 1.00 0.00 H new ATOM 0 HD2 HIS A 129 6.309 10.740 -2.225 1.00 0.00 H new ATOM 0 HE1 HIS A 129 7.096 7.476 0.362 1.00 0.00 H new ATOM 0 HE2 HIS A 129 7.798 9.834 -0.288 1.00 0.00 H new ATOM 2067 N SER A 130 4.076 5.872 -3.908 1.00 0.00 N ATOM 2068 CA SER A 130 4.343 4.472 -3.646 1.00 0.00 C ATOM 2069 C SER A 130 3.055 3.659 -3.666 1.00 0.00 C ATOM 2070 O SER A 130 2.085 3.989 -2.979 1.00 0.00 O ATOM 2071 CB SER A 130 5.057 4.326 -2.297 1.00 0.00 C ATOM 2072 OG SER A 130 4.526 5.227 -1.331 1.00 0.00 O ATOM 0 H SER A 130 3.096 6.140 -3.813 1.00 0.00 H new ATOM 0 HA SER A 130 4.990 4.085 -4.433 1.00 0.00 H new ATOM 0 HB2 SER A 130 4.954 3.302 -1.938 1.00 0.00 H new ATOM 0 HB3 SER A 130 6.123 4.513 -2.425 1.00 0.00 H new ATOM 0 HG SER A 130 4.939 6.109 -1.444 1.00 0.00 H new ATOM 2078 N VAL A 131 3.041 2.615 -4.478 1.00 0.00 N ATOM 2079 CA VAL A 131 1.908 1.710 -4.544 1.00 0.00 C ATOM 2080 C VAL A 131 2.363 0.285 -4.255 1.00 0.00 C ATOM 2081 O VAL A 131 3.193 -0.270 -4.970 1.00 0.00 O ATOM 2082 CB VAL A 131 1.191 1.766 -5.914 1.00 0.00 C ATOM 2083 CG1 VAL A 131 0.389 3.051 -6.044 1.00 0.00 C ATOM 2084 CG2 VAL A 131 2.183 1.645 -7.064 1.00 0.00 C ATOM 0 H VAL A 131 3.808 2.373 -5.105 1.00 0.00 H new ATOM 0 HA VAL A 131 1.192 2.031 -3.788 1.00 0.00 H new ATOM 0 HB VAL A 131 0.509 0.918 -5.966 1.00 0.00 H new ATOM 0 HG11 VAL A 131 -0.108 3.073 -7.014 1.00 0.00 H new ATOM 0 HG12 VAL A 131 -0.358 3.095 -5.252 1.00 0.00 H new ATOM 0 HG13 VAL A 131 1.058 3.907 -5.960 1.00 0.00 H new ATOM 0 HG21 VAL A 131 1.648 1.688 -8.012 1.00 0.00 H new ATOM 0 HG22 VAL A 131 2.899 2.465 -7.014 1.00 0.00 H new ATOM 0 HG23 VAL A 131 2.713 0.695 -6.989 1.00 0.00 H new ATOM 2094 N SER A 132 1.832 -0.293 -3.193 1.00 0.00 N ATOM 2095 CA SER A 132 2.225 -1.630 -2.777 1.00 0.00 C ATOM 2096 C SER A 132 1.020 -2.556 -2.753 1.00 0.00 C ATOM 2097 O SER A 132 -0.093 -2.128 -2.439 1.00 0.00 O ATOM 2098 CB SER A 132 2.862 -1.571 -1.387 1.00 0.00 C ATOM 2099 OG SER A 132 3.979 -0.698 -1.371 1.00 0.00 O ATOM 0 H SER A 132 1.125 0.143 -2.600 1.00 0.00 H new ATOM 0 HA SER A 132 2.949 -2.020 -3.492 1.00 0.00 H new ATOM 0 HB2 SER A 132 2.123 -1.234 -0.660 1.00 0.00 H new ATOM 0 HB3 SER A 132 3.174 -2.571 -1.084 1.00 0.00 H new ATOM 0 HG SER A 132 4.797 -1.211 -1.539 1.00 0.00 H new ATOM 2105 N ALA A 133 1.231 -3.815 -3.095 1.00 0.00 N ATOM 2106 CA ALA A 133 0.167 -4.797 -3.028 1.00 0.00 C ATOM 2107 C ALA A 133 0.451 -5.782 -1.912 1.00 0.00 C ATOM 2108 O ALA A 133 1.485 -6.442 -1.914 1.00 0.00 O ATOM 2109 CB ALA A 133 0.016 -5.519 -4.356 1.00 0.00 C ATOM 0 H ALA A 133 2.127 -4.179 -3.421 1.00 0.00 H new ATOM 0 HA ALA A 133 -0.772 -4.285 -2.818 1.00 0.00 H new ATOM 0 HB1 ALA A 133 -0.788 -6.251 -4.283 1.00 0.00 H new ATOM 0 HB2 ALA A 133 -0.221 -4.797 -5.138 1.00 0.00 H new ATOM 0 HB3 ALA A 133 0.948 -6.027 -4.602 1.00 0.00 H new ATOM 2115 N GLU A 134 -0.452 -5.858 -0.951 1.00 0.00 N ATOM 2116 CA GLU A 134 -0.296 -6.767 0.171 1.00 0.00 C ATOM 2117 C GLU A 134 -1.034 -8.065 -0.098 1.00 0.00 C ATOM 2118 O GLU A 134 -2.116 -8.074 -0.689 1.00 0.00 O ATOM 2119 CB GLU A 134 -0.808 -6.136 1.466 1.00 0.00 C ATOM 2120 CG GLU A 134 -0.121 -4.830 1.815 1.00 0.00 C ATOM 2121 CD GLU A 134 -0.547 -4.294 3.168 1.00 0.00 C ATOM 2122 OE1 GLU A 134 -1.764 -4.191 3.415 1.00 0.00 O ATOM 2123 OE2 GLU A 134 0.333 -3.975 3.992 1.00 0.00 O ATOM 0 H GLU A 134 -1.305 -5.299 -0.925 1.00 0.00 H new ATOM 0 HA GLU A 134 0.767 -6.977 0.289 1.00 0.00 H new ATOM 0 HB2 GLU A 134 -1.880 -5.961 1.376 1.00 0.00 H new ATOM 0 HB3 GLU A 134 -0.668 -6.841 2.285 1.00 0.00 H new ATOM 0 HG2 GLU A 134 0.959 -4.978 1.810 1.00 0.00 H new ATOM 0 HG3 GLU A 134 -0.344 -4.089 1.047 1.00 0.00 H new ATOM 2130 N GLY A 135 -0.441 -9.149 0.348 1.00 0.00 N ATOM 2131 CA GLY A 135 -0.969 -10.462 0.090 1.00 0.00 C ATOM 2132 C GLY A 135 0.158 -11.456 0.007 1.00 0.00 C ATOM 2133 O GLY A 135 1.224 -11.224 0.580 1.00 0.00 O ATOM 0 H GLY A 135 0.418 -9.142 0.898 1.00 0.00 H new ATOM 0 HA2 GLY A 135 -1.661 -10.748 0.882 1.00 0.00 H new ATOM 0 HA3 GLY A 135 -1.534 -10.460 -0.842 1.00 0.00 H new ATOM 2137 N THR A 136 -0.051 -12.546 -0.704 1.00 0.00 N ATOM 2138 CA THR A 136 0.992 -13.541 -0.870 1.00 0.00 C ATOM 2139 C THR A 136 0.961 -14.147 -2.265 1.00 0.00 C ATOM 2140 O THR A 136 -0.024 -14.010 -2.998 1.00 0.00 O ATOM 2141 CB THR A 136 0.886 -14.657 0.185 1.00 0.00 C ATOM 2142 OG1 THR A 136 -0.490 -14.979 0.429 1.00 0.00 O ATOM 2143 CG2 THR A 136 1.558 -14.240 1.483 1.00 0.00 C ATOM 0 H THR A 136 -0.929 -12.766 -1.175 1.00 0.00 H new ATOM 0 HA THR A 136 1.943 -13.026 -0.732 1.00 0.00 H new ATOM 0 HB THR A 136 1.397 -15.539 -0.201 1.00 0.00 H new ATOM 0 HG1 THR A 136 -0.545 -15.691 1.100 1.00 0.00 H new ATOM 0 HG21 THR A 136 1.470 -15.045 2.213 1.00 0.00 H new ATOM 0 HG22 THR A 136 2.612 -14.032 1.297 1.00 0.00 H new ATOM 0 HG23 THR A 136 1.075 -13.343 1.871 1.00 0.00 H new ATOM 2151 N VAL A 137 2.050 -14.802 -2.631 1.00 0.00 N ATOM 2152 CA VAL A 137 2.157 -15.433 -3.930 1.00 0.00 C ATOM 2153 C VAL A 137 1.638 -16.861 -3.861 1.00 0.00 C ATOM 2154 O VAL A 137 2.198 -17.700 -3.155 1.00 0.00 O ATOM 2155 CB VAL A 137 3.616 -15.442 -4.434 1.00 0.00 C ATOM 2156 CG1 VAL A 137 3.694 -15.971 -5.859 1.00 0.00 C ATOM 2157 CG2 VAL A 137 4.221 -14.051 -4.340 1.00 0.00 C ATOM 0 H VAL A 137 2.875 -14.909 -2.041 1.00 0.00 H new ATOM 0 HA VAL A 137 1.554 -14.854 -4.630 1.00 0.00 H new ATOM 0 HB VAL A 137 4.194 -16.110 -3.796 1.00 0.00 H new ATOM 0 HG11 VAL A 137 4.732 -15.968 -6.192 1.00 0.00 H new ATOM 0 HG12 VAL A 137 3.306 -16.989 -5.891 1.00 0.00 H new ATOM 0 HG13 VAL A 137 3.100 -15.336 -6.516 1.00 0.00 H new ATOM 0 HG21 VAL A 137 5.250 -14.077 -4.700 1.00 0.00 H new ATOM 0 HG22 VAL A 137 3.640 -13.360 -4.951 1.00 0.00 H new ATOM 0 HG23 VAL A 137 4.208 -13.718 -3.302 1.00 0.00 H new ATOM 2167 N VAL A 138 0.551 -17.121 -4.570 1.00 0.00 N ATOM 2168 CA VAL A 138 -0.020 -18.457 -4.626 1.00 0.00 C ATOM 2169 C VAL A 138 0.968 -19.409 -5.286 1.00 0.00 C ATOM 2170 O VAL A 138 1.211 -20.516 -4.797 1.00 0.00 O ATOM 2171 CB VAL A 138 -1.353 -18.475 -5.406 1.00 0.00 C ATOM 2172 CG1 VAL A 138 -1.962 -19.870 -5.412 1.00 0.00 C ATOM 2173 CG2 VAL A 138 -2.328 -17.465 -4.820 1.00 0.00 C ATOM 0 H VAL A 138 0.046 -16.423 -5.116 1.00 0.00 H new ATOM 0 HA VAL A 138 -0.223 -18.777 -3.604 1.00 0.00 H new ATOM 0 HB VAL A 138 -1.146 -18.194 -6.439 1.00 0.00 H new ATOM 0 HG11 VAL A 138 -2.900 -19.855 -5.968 1.00 0.00 H new ATOM 0 HG12 VAL A 138 -1.270 -20.567 -5.886 1.00 0.00 H new ATOM 0 HG13 VAL A 138 -2.153 -20.188 -4.387 1.00 0.00 H new ATOM 0 HG21 VAL A 138 -3.261 -17.492 -5.382 1.00 0.00 H new ATOM 0 HG22 VAL A 138 -2.525 -17.713 -3.777 1.00 0.00 H new ATOM 0 HG23 VAL A 138 -1.897 -16.466 -4.880 1.00 0.00 H new ATOM 2183 N SER A 139 1.557 -18.955 -6.382 1.00 0.00 N ATOM 2184 CA SER A 139 2.534 -19.746 -7.104 1.00 0.00 C ATOM 2185 C SER A 139 3.320 -18.886 -8.085 1.00 0.00 C ATOM 2186 O SER A 139 2.741 -18.158 -8.897 1.00 0.00 O ATOM 2187 CB SER A 139 1.835 -20.888 -7.848 1.00 0.00 C ATOM 2188 OG SER A 139 0.718 -20.415 -8.586 1.00 0.00 O ATOM 0 H SER A 139 1.372 -18.039 -6.790 1.00 0.00 H new ATOM 0 HA SER A 139 3.236 -20.163 -6.382 1.00 0.00 H new ATOM 0 HB2 SER A 139 2.541 -21.371 -8.523 1.00 0.00 H new ATOM 0 HB3 SER A 139 1.508 -21.644 -7.134 1.00 0.00 H new ATOM 0 HG SER A 139 0.292 -21.165 -9.052 1.00 0.00 H new