USER MOD reduce.3.24.130724 H: found=0, std=0, add=926, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 927 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 83 ASN : amide:sc= -0.119 X(o=1.3,f=0.86) USER MOD Set 1.2: A 84 HIS : no HD1:sc= 1.47 K(o=1.3,f=-6.5!) USER MOD Set 2.1: A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 81 GLN : amide:sc= -1.84! C(o=-1.8!,f=-3.6!) USER MOD Set 3.1: A 4 ASN : amide:sc= -1.72 X(o=-1.7,f=-1.4) USER MOD Set 3.2: A 45 LYS NZ :NH3+ -160:sc= 0.00348 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= -0.288 X(o=-0.29,f=-0.028) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 83:sc= 1.11 USER MOD Single : A 25 ASN : amide:sc= 0.195 X(o=0.19,f=0) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 THR OG1 : rot 152:sc= 0.642 USER MOD Single : A 38 ASN : amide:sc= 0.0817 K(o=0.082,f=-1.8!) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.007 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 MET CE :methyl -148:sc= 0 (180deg=-0.552) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 CYS SG : rot 180:sc= -0.762 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot -163:sc= 0.697 USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 ASN : amide:sc= -7.17! C(o=-7.2!,f=-9.7!) USER MOD Single : A 68 ASN : amide:sc= -0.0042 X(o=-0.0042,f=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= -1.11 X(o=-1.1,f=-1.3!) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0.136 USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ 165:sc= -0.0906 (180deg=-0.383) USER MOD ----------------------------------------------------------------- ATOM 40 N ASN A 4 -5.770 -12.639 -9.719 1.00 0.00 N ATOM 41 CA ASN A 4 -5.277 -11.334 -9.294 1.00 0.00 C ATOM 42 C ASN A 4 -4.573 -11.437 -7.942 1.00 0.00 C ATOM 43 O ASN A 4 -4.993 -12.206 -7.077 1.00 0.00 O ATOM 44 CB ASN A 4 -6.436 -10.337 -9.205 1.00 0.00 C ATOM 45 CG ASN A 4 -5.998 -8.915 -9.492 1.00 0.00 C ATOM 46 OD1 ASN A 4 -5.815 -8.529 -10.647 1.00 0.00 O ATOM 47 ND2 ASN A 4 -5.826 -8.124 -8.439 1.00 0.00 N ATOM 0 HA ASN A 4 -4.558 -10.981 -10.033 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -7.214 -10.624 -9.912 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -6.877 -10.385 -8.209 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -5.531 -7.156 -8.571 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -5.989 -8.484 -7.499 1.00 0.00 H new ATOM 54 N PRO A 5 -3.489 -10.664 -7.739 1.00 0.00 N ATOM 55 CA PRO A 5 -2.732 -10.680 -6.480 1.00 0.00 C ATOM 56 C PRO A 5 -3.617 -10.413 -5.266 1.00 0.00 C ATOM 57 O PRO A 5 -3.462 -11.048 -4.223 1.00 0.00 O ATOM 58 CB PRO A 5 -1.715 -9.549 -6.657 1.00 0.00 C ATOM 59 CG PRO A 5 -1.567 -9.397 -8.131 1.00 0.00 C ATOM 60 CD PRO A 5 -2.914 -9.719 -8.714 1.00 0.00 C ATOM 0 HA PRO A 5 -2.278 -11.653 -6.294 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -2.067 -8.625 -6.198 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -0.763 -9.796 -6.187 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -1.261 -8.384 -8.391 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -0.802 -10.070 -8.519 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -3.530 -8.826 -8.820 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -2.827 -10.166 -9.704 1.00 0.00 H new ATOM 68 N ALA A 6 -4.545 -9.472 -5.408 1.00 0.00 N ATOM 69 CA ALA A 6 -5.452 -9.121 -4.321 1.00 0.00 C ATOM 70 C ALA A 6 -6.412 -10.267 -4.016 1.00 0.00 C ATOM 71 O ALA A 6 -6.791 -10.482 -2.864 1.00 0.00 O ATOM 72 CB ALA A 6 -6.226 -7.857 -4.666 1.00 0.00 C ATOM 0 H ALA A 6 -4.689 -8.939 -6.266 1.00 0.00 H new ATOM 0 HA ALA A 6 -4.855 -8.935 -3.428 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -6.899 -7.607 -3.846 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -5.528 -7.035 -4.826 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -6.806 -8.022 -5.574 1.00 0.00 H new ATOM 78 N GLU A 7 -6.803 -11.000 -5.054 1.00 0.00 N ATOM 79 CA GLU A 7 -7.717 -12.126 -4.896 1.00 0.00 C ATOM 80 C GLU A 7 -7.028 -13.293 -4.197 1.00 0.00 C ATOM 81 O GLU A 7 -7.538 -13.827 -3.210 1.00 0.00 O ATOM 82 CB GLU A 7 -8.248 -12.574 -6.259 1.00 0.00 C ATOM 83 CG GLU A 7 -9.702 -13.017 -6.230 1.00 0.00 C ATOM 84 CD GLU A 7 -10.668 -11.856 -6.351 1.00 0.00 C ATOM 85 OE1 GLU A 7 -10.992 -11.468 -7.493 1.00 0.00 O ATOM 86 OE2 GLU A 7 -11.102 -11.332 -5.302 1.00 0.00 O ATOM 0 H GLU A 7 -6.501 -10.834 -6.014 1.00 0.00 H new ATOM 0 HA GLU A 7 -8.553 -11.799 -4.278 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -8.141 -11.754 -6.969 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -7.634 -13.396 -6.627 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -9.880 -13.719 -7.044 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -9.897 -13.551 -5.300 1.00 0.00 H new ATOM 93 N ASN A 8 -5.869 -13.687 -4.719 1.00 0.00 N ATOM 94 CA ASN A 8 -5.104 -14.791 -4.148 1.00 0.00 C ATOM 95 C ASN A 8 -4.791 -14.534 -2.678 1.00 0.00 C ATOM 96 O ASN A 8 -4.737 -15.462 -1.872 1.00 0.00 O ATOM 97 CB ASN A 8 -3.804 -14.995 -4.929 1.00 0.00 C ATOM 98 CG ASN A 8 -3.204 -16.369 -4.704 1.00 0.00 C ATOM 99 OD1 ASN A 8 -2.022 -16.497 -4.381 1.00 0.00 O ATOM 100 ND2 ASN A 8 -4.017 -17.404 -4.871 1.00 0.00 N ATOM 0 H ASN A 8 -5.439 -13.257 -5.538 1.00 0.00 H new ATOM 0 HA ASN A 8 -5.710 -15.694 -4.219 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -3.997 -14.855 -5.993 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -3.082 -14.234 -4.633 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -3.670 -18.353 -4.731 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -4.989 -17.251 -5.139 1.00 0.00 H new ATOM 107 N PHE A 9 -4.582 -13.267 -2.337 1.00 0.00 N ATOM 108 CA PHE A 9 -4.278 -12.884 -0.964 1.00 0.00 C ATOM 109 C PHE A 9 -5.528 -12.981 -0.092 1.00 0.00 C ATOM 110 O PHE A 9 -5.497 -13.562 0.993 1.00 0.00 O ATOM 111 CB PHE A 9 -3.714 -11.459 -0.927 1.00 0.00 C ATOM 112 CG PHE A 9 -3.944 -10.743 0.375 1.00 0.00 C ATOM 113 CD1 PHE A 9 -3.227 -11.090 1.508 1.00 0.00 C ATOM 114 CD2 PHE A 9 -4.878 -9.723 0.463 1.00 0.00 C ATOM 115 CE1 PHE A 9 -3.437 -10.432 2.707 1.00 0.00 C ATOM 116 CE2 PHE A 9 -5.093 -9.063 1.659 1.00 0.00 C ATOM 117 CZ PHE A 9 -4.371 -9.417 2.781 1.00 0.00 C ATOM 0 H PHE A 9 -4.618 -12.487 -2.994 1.00 0.00 H new ATOM 0 HA PHE A 9 -3.528 -13.570 -0.569 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -2.643 -11.498 -1.124 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -4.165 -10.880 -1.733 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -2.496 -11.883 1.455 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -5.444 -9.440 -0.412 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -2.872 -10.712 3.584 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -5.825 -8.271 1.715 1.00 0.00 H new ATOM 0 HZ PHE A 9 -4.536 -8.901 3.715 1.00 0.00 H new ATOM 127 N ARG A 10 -6.623 -12.408 -0.580 1.00 0.00 N ATOM 128 CA ARG A 10 -7.887 -12.422 0.147 1.00 0.00 C ATOM 129 C ARG A 10 -8.319 -13.848 0.475 1.00 0.00 C ATOM 130 O ARG A 10 -8.833 -14.114 1.563 1.00 0.00 O ATOM 131 CB ARG A 10 -8.975 -11.722 -0.670 1.00 0.00 C ATOM 132 CG ARG A 10 -9.043 -10.223 -0.432 1.00 0.00 C ATOM 133 CD ARG A 10 -10.129 -9.573 -1.274 1.00 0.00 C ATOM 134 NE ARG A 10 -11.400 -9.492 -0.558 1.00 0.00 N ATOM 135 CZ ARG A 10 -12.587 -9.593 -1.149 1.00 0.00 C ATOM 136 NH1 ARG A 10 -12.666 -9.779 -2.459 1.00 0.00 N ATOM 137 NH2 ARG A 10 -13.696 -9.507 -0.429 1.00 0.00 N ATOM 0 H ARG A 10 -6.660 -11.927 -1.479 1.00 0.00 H new ATOM 0 HA ARG A 10 -7.741 -11.886 1.085 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -8.797 -11.906 -1.730 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -9.941 -12.164 -0.428 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -9.235 -10.030 0.623 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -8.079 -9.772 -0.668 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -9.812 -8.571 -1.565 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -10.266 -10.143 -2.193 1.00 0.00 H new ATOM 0 HE ARG A 10 -11.376 -9.350 0.452 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -11.815 -9.845 -3.017 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -13.578 -9.856 -2.909 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -13.640 -9.363 0.579 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -14.606 -9.585 -0.883 1.00 0.00 H new ATOM 151 N VAL A 11 -8.109 -14.763 -0.468 1.00 0.00 N ATOM 152 CA VAL A 11 -8.487 -16.158 -0.263 1.00 0.00 C ATOM 153 C VAL A 11 -7.472 -16.876 0.621 1.00 0.00 C ATOM 154 O VAL A 11 -7.845 -17.652 1.499 1.00 0.00 O ATOM 155 CB VAL A 11 -8.627 -16.918 -1.598 1.00 0.00 C ATOM 156 CG1 VAL A 11 -9.829 -16.408 -2.378 1.00 0.00 C ATOM 157 CG2 VAL A 11 -7.358 -16.799 -2.426 1.00 0.00 C ATOM 0 H VAL A 11 -7.683 -14.566 -1.374 1.00 0.00 H new ATOM 0 HA VAL A 11 -9.457 -16.149 0.233 1.00 0.00 H new ATOM 0 HB VAL A 11 -8.785 -17.973 -1.374 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -9.912 -16.955 -3.317 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -10.734 -16.557 -1.790 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -9.703 -15.346 -2.587 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -7.482 -17.343 -3.362 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -7.161 -15.749 -2.640 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -6.520 -17.220 -1.870 1.00 0.00 H new ATOM 167 N LEU A 12 -6.190 -16.620 0.374 1.00 0.00 N ATOM 168 CA LEU A 12 -5.118 -17.233 1.155 1.00 0.00 C ATOM 169 C LEU A 12 -5.306 -16.982 2.649 1.00 0.00 C ATOM 170 O LEU A 12 -4.956 -17.824 3.475 1.00 0.00 O ATOM 171 CB LEU A 12 -3.757 -16.695 0.708 1.00 0.00 C ATOM 172 CG LEU A 12 -3.006 -17.579 -0.290 1.00 0.00 C ATOM 173 CD1 LEU A 12 -1.967 -16.764 -1.045 1.00 0.00 C ATOM 174 CD2 LEU A 12 -2.350 -18.751 0.424 1.00 0.00 C ATOM 0 H LEU A 12 -5.867 -15.991 -0.362 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.155 -18.308 0.980 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.901 -15.711 0.261 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.131 -16.556 1.590 1.00 0.00 H new ATOM 0 HG LEU A 12 -3.723 -17.974 -1.009 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.442 -17.408 -1.751 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.461 -15.958 -1.588 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.253 -16.341 -0.339 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.821 -19.369 -0.301 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.644 -18.376 1.165 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.114 -19.349 0.920 1.00 0.00 H new ATOM 186 N VAL A 13 -5.851 -15.819 2.993 1.00 0.00 N ATOM 187 CA VAL A 13 -6.080 -15.472 4.393 1.00 0.00 C ATOM 188 C VAL A 13 -7.486 -15.862 4.838 1.00 0.00 C ATOM 189 O VAL A 13 -7.853 -15.678 5.998 1.00 0.00 O ATOM 190 CB VAL A 13 -5.873 -13.967 4.652 1.00 0.00 C ATOM 191 CG1 VAL A 13 -4.406 -13.594 4.513 1.00 0.00 C ATOM 192 CG2 VAL A 13 -6.734 -13.136 3.711 1.00 0.00 C ATOM 0 H VAL A 13 -6.141 -15.104 2.326 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.347 -16.034 4.973 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.182 -13.751 5.675 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -4.283 -12.527 4.700 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -3.817 -14.159 5.235 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -4.065 -13.827 3.504 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -6.573 -12.077 3.911 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -6.462 -13.356 2.679 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -7.785 -13.379 3.869 1.00 0.00 H new ATOM 202 N LYS A 14 -8.268 -16.402 3.908 1.00 0.00 N ATOM 203 CA LYS A 14 -9.636 -16.814 4.207 1.00 0.00 C ATOM 204 C LYS A 14 -9.894 -18.255 3.766 1.00 0.00 C ATOM 205 O LYS A 14 -10.957 -18.566 3.226 1.00 0.00 O ATOM 206 CB LYS A 14 -10.633 -15.873 3.529 1.00 0.00 C ATOM 207 CG LYS A 14 -11.703 -15.346 4.470 1.00 0.00 C ATOM 208 CD LYS A 14 -12.953 -14.927 3.714 1.00 0.00 C ATOM 209 CE LYS A 14 -13.103 -13.414 3.685 1.00 0.00 C ATOM 210 NZ LYS A 14 -13.947 -12.961 2.545 1.00 0.00 N ATOM 0 H LYS A 14 -7.979 -16.564 2.943 1.00 0.00 H new ATOM 0 HA LYS A 14 -9.770 -16.762 5.287 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -10.091 -15.031 3.099 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -11.113 -16.398 2.703 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -11.958 -16.115 5.199 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -11.312 -14.495 5.028 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -12.909 -15.309 2.694 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -13.830 -15.372 4.183 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -13.546 -13.075 4.622 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -12.118 -12.953 3.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -14.024 -11.924 2.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -13.512 -13.262 1.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -14.895 -13.380 2.627 1.00 0.00 H new ATOM 224 N GLN A 15 -8.920 -19.130 3.999 1.00 0.00 N ATOM 225 CA GLN A 15 -9.053 -20.538 3.628 1.00 0.00 C ATOM 226 C GLN A 15 -9.036 -21.430 4.858 1.00 0.00 C ATOM 227 O GLN A 15 -9.871 -22.322 5.006 1.00 0.00 O ATOM 228 CB GLN A 15 -7.922 -20.975 2.696 1.00 0.00 C ATOM 229 CG GLN A 15 -6.702 -20.071 2.735 1.00 0.00 C ATOM 230 CD GLN A 15 -5.411 -20.843 2.925 1.00 0.00 C ATOM 231 OE1 GLN A 15 -4.834 -20.852 4.011 1.00 0.00 O ATOM 232 NE2 GLN A 15 -4.951 -21.496 1.862 1.00 0.00 N ATOM 0 H GLN A 15 -8.032 -18.892 4.441 1.00 0.00 H new ATOM 0 HA GLN A 15 -10.008 -20.640 3.113 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -7.619 -21.988 2.960 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -8.301 -21.012 1.675 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -6.647 -19.501 1.808 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -6.813 -19.351 3.546 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -5.463 -21.460 0.981 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -4.086 -22.033 1.928 1.00 0.00 H new ATOM 241 N LYS A 16 -8.075 -21.182 5.739 1.00 0.00 N ATOM 242 CA LYS A 16 -7.932 -21.974 6.945 1.00 0.00 C ATOM 243 C LYS A 16 -7.301 -21.148 8.057 1.00 0.00 C ATOM 244 O LYS A 16 -7.992 -20.677 8.962 1.00 0.00 O ATOM 245 CB LYS A 16 -7.076 -23.206 6.651 1.00 0.00 C ATOM 246 CG LYS A 16 -6.763 -24.035 7.879 1.00 0.00 C ATOM 247 CD LYS A 16 -5.404 -24.706 7.770 1.00 0.00 C ATOM 248 CE LYS A 16 -5.469 -25.961 6.915 1.00 0.00 C ATOM 249 NZ LYS A 16 -4.185 -26.213 6.204 1.00 0.00 N ATOM 0 H LYS A 16 -7.385 -20.438 5.637 1.00 0.00 H new ATOM 0 HA LYS A 16 -8.920 -22.293 7.276 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -7.593 -23.831 5.923 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -6.141 -22.887 6.191 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -6.785 -23.399 8.764 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -7.534 -24.794 8.013 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -4.686 -24.008 7.339 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -5.042 -24.961 8.766 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -5.710 -26.818 7.545 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -6.274 -25.864 6.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.269 -27.077 5.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.967 -25.407 5.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.421 -26.331 6.899 1.00 0.00 H new ATOM 263 N LYS A 17 -5.986 -20.973 7.985 1.00 0.00 N ATOM 264 CA LYS A 17 -5.273 -20.200 8.989 1.00 0.00 C ATOM 265 C LYS A 17 -3.927 -19.709 8.464 1.00 0.00 C ATOM 266 O LYS A 17 -2.891 -20.333 8.701 1.00 0.00 O ATOM 267 CB LYS A 17 -5.067 -21.034 10.255 1.00 0.00 C ATOM 268 CG LYS A 17 -5.959 -20.614 11.412 1.00 0.00 C ATOM 269 CD LYS A 17 -6.950 -21.707 11.776 1.00 0.00 C ATOM 270 CE LYS A 17 -8.298 -21.127 12.173 1.00 0.00 C ATOM 271 NZ LYS A 17 -9.430 -21.951 11.666 1.00 0.00 N ATOM 0 H LYS A 17 -5.397 -21.355 7.245 1.00 0.00 H new ATOM 0 HA LYS A 17 -5.881 -19.328 9.228 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -5.255 -22.082 10.024 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -4.025 -20.958 10.565 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.344 -20.376 12.279 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -6.499 -19.706 11.145 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -7.078 -22.381 10.929 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -6.552 -22.301 12.598 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -8.358 -21.058 13.259 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -8.385 -20.113 11.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -10.331 -21.521 11.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -9.389 -21.996 10.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -9.362 -22.912 12.057 1.00 0.00 H new ATOM 285 N ALA A 18 -3.948 -18.588 7.750 1.00 0.00 N ATOM 286 CA ALA A 18 -2.729 -18.008 7.201 1.00 0.00 C ATOM 287 C ALA A 18 -2.262 -16.828 8.047 1.00 0.00 C ATOM 288 O ALA A 18 -1.177 -16.287 7.830 1.00 0.00 O ATOM 289 CB ALA A 18 -2.951 -17.573 5.760 1.00 0.00 C ATOM 0 H ALA A 18 -4.797 -18.063 7.538 1.00 0.00 H new ATOM 0 HA ALA A 18 -1.950 -18.770 7.219 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -2.031 -17.142 5.364 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -3.235 -18.437 5.159 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -3.746 -16.828 5.723 1.00 0.00 H new ATOM 295 N SER A 19 -3.095 -16.435 9.008 1.00 0.00 N ATOM 296 CA SER A 19 -2.781 -15.324 9.903 1.00 0.00 C ATOM 297 C SER A 19 -2.715 -14.002 9.141 1.00 0.00 C ATOM 298 O SER A 19 -3.726 -13.316 8.991 1.00 0.00 O ATOM 299 CB SER A 19 -1.460 -15.578 10.634 1.00 0.00 C ATOM 300 OG SER A 19 -1.264 -14.638 11.677 1.00 0.00 O ATOM 0 H SER A 19 -3.999 -16.873 9.187 1.00 0.00 H new ATOM 0 HA SER A 19 -3.582 -15.253 10.638 1.00 0.00 H new ATOM 0 HB2 SER A 19 -1.457 -16.588 11.045 1.00 0.00 H new ATOM 0 HB3 SER A 19 -0.633 -15.519 9.927 1.00 0.00 H new ATOM 0 HG SER A 19 -0.414 -14.823 12.129 1.00 0.00 H new ATOM 306 N PHE A 20 -1.524 -13.658 8.655 1.00 0.00 N ATOM 307 CA PHE A 20 -1.325 -12.412 7.916 1.00 0.00 C ATOM 308 C PHE A 20 0.136 -12.238 7.515 1.00 0.00 C ATOM 309 O PHE A 20 0.433 -11.719 6.443 1.00 0.00 O ATOM 310 CB PHE A 20 -1.772 -11.213 8.758 1.00 0.00 C ATOM 311 CG PHE A 20 -2.465 -10.142 7.962 1.00 0.00 C ATOM 312 CD1 PHE A 20 -3.736 -10.351 7.450 1.00 0.00 C ATOM 313 CD2 PHE A 20 -1.845 -8.925 7.728 1.00 0.00 C ATOM 314 CE1 PHE A 20 -4.374 -9.367 6.719 1.00 0.00 C ATOM 315 CE2 PHE A 20 -2.478 -7.937 6.999 1.00 0.00 C ATOM 316 CZ PHE A 20 -3.745 -8.158 6.493 1.00 0.00 C ATOM 0 H PHE A 20 -0.682 -14.224 8.759 1.00 0.00 H new ATOM 0 HA PHE A 20 -1.931 -12.463 7.011 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -2.443 -11.561 9.543 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -0.901 -10.781 9.251 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -4.233 -11.294 7.624 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -0.855 -8.747 8.120 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -5.364 -9.543 6.325 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -1.983 -6.993 6.825 1.00 0.00 H new ATOM 0 HZ PHE A 20 -4.242 -7.387 5.922 1.00 0.00 H new ATOM 326 N GLU A 21 1.041 -12.663 8.391 1.00 0.00 N ATOM 327 CA GLU A 21 2.478 -12.550 8.141 1.00 0.00 C ATOM 328 C GLU A 21 2.860 -13.058 6.750 1.00 0.00 C ATOM 329 O GLU A 21 3.379 -12.303 5.928 1.00 0.00 O ATOM 330 CB GLU A 21 3.259 -13.324 9.204 1.00 0.00 C ATOM 331 CG GLU A 21 4.670 -12.801 9.422 1.00 0.00 C ATOM 332 CD GLU A 21 5.733 -13.776 8.953 1.00 0.00 C ATOM 333 OE1 GLU A 21 5.965 -14.783 9.654 1.00 0.00 O ATOM 334 OE2 GLU A 21 6.331 -13.533 7.884 1.00 0.00 O ATOM 0 H GLU A 21 0.805 -13.092 9.286 1.00 0.00 H new ATOM 0 HA GLU A 21 2.734 -11.492 8.191 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.714 -13.280 10.147 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.310 -14.373 8.914 1.00 0.00 H new ATOM 0 HG2 GLU A 21 4.789 -11.856 8.891 1.00 0.00 H new ATOM 0 HG3 GLU A 21 4.816 -12.592 10.482 1.00 0.00 H new ATOM 341 N GLU A 22 2.610 -14.339 6.497 1.00 0.00 N ATOM 342 CA GLU A 22 2.940 -14.947 5.209 1.00 0.00 C ATOM 343 C GLU A 22 2.318 -14.177 4.046 1.00 0.00 C ATOM 344 O GLU A 22 3.002 -13.838 3.078 1.00 0.00 O ATOM 345 CB GLU A 22 2.470 -16.403 5.177 1.00 0.00 C ATOM 346 CG GLU A 22 3.535 -17.396 5.608 1.00 0.00 C ATOM 347 CD GLU A 22 4.377 -17.888 4.447 1.00 0.00 C ATOM 348 OE1 GLU A 22 3.964 -18.865 3.786 1.00 0.00 O ATOM 349 OE2 GLU A 22 5.448 -17.298 4.196 1.00 0.00 O ATOM 0 H GLU A 22 2.180 -14.978 7.166 1.00 0.00 H new ATOM 0 HA GLU A 22 4.023 -14.911 5.095 1.00 0.00 H new ATOM 0 HB2 GLU A 22 1.601 -16.510 5.827 1.00 0.00 H new ATOM 0 HB3 GLU A 22 2.144 -16.649 4.166 1.00 0.00 H new ATOM 0 HG2 GLU A 22 4.183 -16.929 6.350 1.00 0.00 H new ATOM 0 HG3 GLU A 22 3.058 -18.248 6.093 1.00 0.00 H new ATOM 356 N ALA A 23 1.021 -13.906 4.147 1.00 0.00 N ATOM 357 CA ALA A 23 0.303 -13.187 3.100 1.00 0.00 C ATOM 358 C ALA A 23 0.890 -11.798 2.865 1.00 0.00 C ATOM 359 O ALA A 23 1.002 -11.345 1.725 1.00 0.00 O ATOM 360 CB ALA A 23 -1.172 -13.082 3.455 1.00 0.00 C ATOM 0 H ALA A 23 0.444 -14.174 4.945 1.00 0.00 H new ATOM 0 HA ALA A 23 0.411 -13.752 2.174 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -1.698 -12.544 2.667 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -1.594 -14.082 3.556 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.282 -12.545 4.397 1.00 0.00 H new ATOM 366 N SER A 24 1.269 -11.127 3.949 1.00 0.00 N ATOM 367 CA SER A 24 1.839 -9.788 3.859 1.00 0.00 C ATOM 368 C SER A 24 3.190 -9.826 3.161 1.00 0.00 C ATOM 369 O SER A 24 3.417 -9.107 2.190 1.00 0.00 O ATOM 370 CB SER A 24 1.989 -9.179 5.254 1.00 0.00 C ATOM 371 OG SER A 24 0.737 -9.090 5.910 1.00 0.00 O ATOM 0 H SER A 24 1.191 -11.489 4.899 1.00 0.00 H new ATOM 0 HA SER A 24 1.161 -9.167 3.273 1.00 0.00 H new ATOM 0 HB2 SER A 24 2.672 -9.787 5.848 1.00 0.00 H new ATOM 0 HB3 SER A 24 2.433 -8.187 5.175 1.00 0.00 H new ATOM 0 HG SER A 24 0.524 -9.951 6.327 1.00 0.00 H new ATOM 377 N ASN A 25 4.087 -10.668 3.667 1.00 0.00 N ATOM 378 CA ASN A 25 5.416 -10.807 3.090 1.00 0.00 C ATOM 379 C ASN A 25 5.325 -11.054 1.590 1.00 0.00 C ATOM 380 O ASN A 25 5.998 -10.391 0.799 1.00 0.00 O ATOM 381 CB ASN A 25 6.173 -11.954 3.764 1.00 0.00 C ATOM 382 CG ASN A 25 6.938 -11.501 4.991 1.00 0.00 C ATOM 383 OD1 ASN A 25 8.169 -11.493 5.002 1.00 0.00 O ATOM 384 ND2 ASN A 25 6.211 -11.120 6.034 1.00 0.00 N ATOM 0 H ASN A 25 3.915 -11.264 4.477 1.00 0.00 H new ATOM 0 HA ASN A 25 5.961 -9.878 3.259 1.00 0.00 H new ATOM 0 HB2 ASN A 25 5.467 -12.734 4.047 1.00 0.00 H new ATOM 0 HB3 ASN A 25 6.867 -12.397 3.050 1.00 0.00 H new ATOM 0 HD21 ASN A 25 6.671 -10.805 6.888 1.00 0.00 H new ATOM 0 HD22 ASN A 25 5.193 -11.143 5.981 1.00 0.00 H new ATOM 391 N GLN A 26 4.486 -12.011 1.204 1.00 0.00 N ATOM 392 CA GLN A 26 4.300 -12.341 -0.204 1.00 0.00 C ATOM 393 C GLN A 26 3.821 -11.122 -0.984 1.00 0.00 C ATOM 394 O GLN A 26 4.342 -10.812 -2.056 1.00 0.00 O ATOM 395 CB GLN A 26 3.298 -13.487 -0.353 1.00 0.00 C ATOM 396 CG GLN A 26 3.814 -14.641 -1.197 1.00 0.00 C ATOM 397 CD GLN A 26 3.033 -15.921 -0.973 1.00 0.00 C ATOM 398 OE1 GLN A 26 1.829 -15.979 -1.222 1.00 0.00 O ATOM 399 NE2 GLN A 26 3.716 -16.957 -0.499 1.00 0.00 N ATOM 0 H GLN A 26 3.925 -12.571 1.846 1.00 0.00 H new ATOM 0 HA GLN A 26 5.261 -12.657 -0.611 1.00 0.00 H new ATOM 0 HB2 GLN A 26 3.036 -13.861 0.637 1.00 0.00 H new ATOM 0 HB3 GLN A 26 2.382 -13.102 -0.801 1.00 0.00 H new ATOM 0 HG2 GLN A 26 3.762 -14.367 -2.251 1.00 0.00 H new ATOM 0 HG3 GLN A 26 4.865 -14.815 -0.965 1.00 0.00 H new ATOM 0 HE21 GLN A 26 4.713 -16.865 -0.306 1.00 0.00 H new ATOM 0 HE22 GLN A 26 3.243 -17.844 -0.328 1.00 0.00 H new ATOM 408 N LEU A 27 2.817 -10.441 -0.442 1.00 0.00 N ATOM 409 CA LEU A 27 2.264 -9.252 -1.078 1.00 0.00 C ATOM 410 C LEU A 27 3.350 -8.212 -1.333 1.00 0.00 C ATOM 411 O LEU A 27 3.481 -7.698 -2.445 1.00 0.00 O ATOM 412 CB LEU A 27 1.159 -8.647 -0.208 1.00 0.00 C ATOM 413 CG LEU A 27 -0.235 -8.652 -0.837 1.00 0.00 C ATOM 414 CD1 LEU A 27 -1.298 -8.391 0.219 1.00 0.00 C ATOM 415 CD2 LEU A 27 -0.322 -7.617 -1.950 1.00 0.00 C ATOM 0 H LEU A 27 2.369 -10.694 0.439 1.00 0.00 H new ATOM 0 HA LEU A 27 1.841 -9.551 -2.037 1.00 0.00 H new ATOM 0 HB2 LEU A 27 1.118 -9.194 0.734 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.429 -7.619 0.033 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.414 -9.637 -1.268 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.283 -8.398 -0.247 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.252 -9.168 0.982 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.122 -7.419 0.680 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.321 -7.635 -2.386 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.122 -6.626 -1.542 1.00 0.00 H new ATOM 0 HD23 LEU A 27 0.414 -7.848 -2.720 1.00 0.00 H new ATOM 427 N ILE A 28 4.127 -7.901 -0.297 1.00 0.00 N ATOM 428 CA ILE A 28 5.200 -6.922 -0.413 1.00 0.00 C ATOM 429 C ILE A 28 6.206 -7.329 -1.485 1.00 0.00 C ATOM 430 O ILE A 28 6.663 -6.493 -2.266 1.00 0.00 O ATOM 431 CB ILE A 28 5.933 -6.728 0.933 1.00 0.00 C ATOM 432 CG1 ILE A 28 5.105 -5.839 1.861 1.00 0.00 C ATOM 433 CG2 ILE A 28 7.316 -6.128 0.717 1.00 0.00 C ATOM 434 CD1 ILE A 28 4.666 -6.533 3.131 1.00 0.00 C ATOM 0 H ILE A 28 4.032 -8.314 0.631 1.00 0.00 H new ATOM 0 HA ILE A 28 4.738 -5.978 -0.701 1.00 0.00 H new ATOM 0 HB ILE A 28 6.057 -7.705 1.400 1.00 0.00 H new ATOM 0 HG12 ILE A 28 5.689 -4.957 2.122 1.00 0.00 H new ATOM 0 HG13 ILE A 28 4.223 -5.490 1.324 1.00 0.00 H new ATOM 0 HG21 ILE A 28 7.812 -6.001 1.679 1.00 0.00 H new ATOM 0 HG22 ILE A 28 7.908 -6.794 0.089 1.00 0.00 H new ATOM 0 HG23 ILE A 28 7.220 -5.159 0.228 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.083 -5.842 3.740 1.00 0.00 H new ATOM 0 HD12 ILE A 28 4.054 -7.399 2.879 1.00 0.00 H new ATOM 0 HD13 ILE A 28 5.543 -6.858 3.690 1.00 0.00 H new ATOM 446 N ASN A 29 6.548 -8.615 -1.523 1.00 0.00 N ATOM 447 CA ASN A 29 7.497 -9.122 -2.505 1.00 0.00 C ATOM 448 C ASN A 29 6.971 -8.897 -3.916 1.00 0.00 C ATOM 449 O ASN A 29 7.701 -8.443 -4.797 1.00 0.00 O ATOM 450 CB ASN A 29 7.761 -10.611 -2.275 1.00 0.00 C ATOM 451 CG ASN A 29 9.204 -10.991 -2.538 1.00 0.00 C ATOM 452 OD1 ASN A 29 9.543 -11.488 -3.612 1.00 0.00 O ATOM 453 ND2 ASN A 29 10.065 -10.759 -1.554 1.00 0.00 N ATOM 0 H ASN A 29 6.182 -9.322 -0.885 1.00 0.00 H new ATOM 0 HA ASN A 29 8.435 -8.579 -2.389 1.00 0.00 H new ATOM 0 HB2 ASN A 29 7.502 -10.868 -1.248 1.00 0.00 H new ATOM 0 HB3 ASN A 29 7.110 -11.197 -2.924 1.00 0.00 H new ATOM 0 HD21 ASN A 29 11.050 -10.994 -1.672 1.00 0.00 H new ATOM 0 HD22 ASN A 29 9.741 -10.345 -0.680 1.00 0.00 H new ATOM 460 N HIS A 30 5.698 -9.221 -4.122 1.00 0.00 N ATOM 461 CA HIS A 30 5.068 -9.044 -5.424 1.00 0.00 C ATOM 462 C HIS A 30 5.153 -7.584 -5.849 1.00 0.00 C ATOM 463 O HIS A 30 5.520 -7.276 -6.983 1.00 0.00 O ATOM 464 CB HIS A 30 3.607 -9.494 -5.377 1.00 0.00 C ATOM 465 CG HIS A 30 3.276 -10.557 -6.378 1.00 0.00 C ATOM 466 ND1 HIS A 30 3.939 -11.766 -6.440 1.00 0.00 N ATOM 467 CD2 HIS A 30 2.347 -10.590 -7.362 1.00 0.00 C ATOM 468 CE1 HIS A 30 3.431 -12.493 -7.419 1.00 0.00 C ATOM 469 NE2 HIS A 30 2.464 -11.803 -7.993 1.00 0.00 N ATOM 0 H HIS A 30 5.084 -9.607 -3.405 1.00 0.00 H new ATOM 0 HA HIS A 30 5.596 -9.658 -6.154 1.00 0.00 H new ATOM 0 HB2 HIS A 30 3.382 -9.865 -4.377 1.00 0.00 H new ATOM 0 HB3 HIS A 30 2.964 -8.631 -5.549 1.00 0.00 H new ATOM 0 HD2 HIS A 30 1.644 -9.807 -7.605 1.00 0.00 H new ATOM 0 HE1 HIS A 30 3.753 -13.484 -7.702 1.00 0.00 H new ATOM 0 HE2 HIS A 30 1.896 -12.120 -8.778 1.00 0.00 H new ATOM 478 N ILE A 31 4.806 -6.690 -4.927 1.00 0.00 N ATOM 479 CA ILE A 31 4.857 -5.259 -5.197 1.00 0.00 C ATOM 480 C ILE A 31 6.262 -4.850 -5.625 1.00 0.00 C ATOM 481 O ILE A 31 6.442 -4.173 -6.638 1.00 0.00 O ATOM 482 CB ILE A 31 4.438 -4.433 -3.963 1.00 0.00 C ATOM 483 CG1 ILE A 31 2.996 -4.760 -3.569 1.00 0.00 C ATOM 484 CG2 ILE A 31 4.593 -2.944 -4.242 1.00 0.00 C ATOM 485 CD1 ILE A 31 2.614 -4.256 -2.194 1.00 0.00 C ATOM 0 H ILE A 31 4.487 -6.932 -3.989 1.00 0.00 H new ATOM 0 HA ILE A 31 4.153 -5.055 -6.004 1.00 0.00 H new ATOM 0 HB ILE A 31 5.091 -4.695 -3.131 1.00 0.00 H new ATOM 0 HG12 ILE A 31 2.320 -4.327 -4.306 1.00 0.00 H new ATOM 0 HG13 ILE A 31 2.855 -5.840 -3.603 1.00 0.00 H new ATOM 0 HG21 ILE A 31 4.293 -2.376 -3.361 1.00 0.00 H new ATOM 0 HG22 ILE A 31 5.634 -2.725 -4.478 1.00 0.00 H new ATOM 0 HG23 ILE A 31 3.963 -2.664 -5.086 1.00 0.00 H new ATOM 0 HD11 ILE A 31 1.579 -4.524 -1.983 1.00 0.00 H new ATOM 0 HD12 ILE A 31 3.266 -4.709 -1.447 1.00 0.00 H new ATOM 0 HD13 ILE A 31 2.722 -3.172 -2.161 1.00 0.00 H new ATOM 497 N GLU A 32 7.254 -5.263 -4.839 1.00 0.00 N ATOM 498 CA GLU A 32 8.648 -4.952 -5.137 1.00 0.00 C ATOM 499 C GLU A 32 9.018 -5.427 -6.538 1.00 0.00 C ATOM 500 O GLU A 32 9.691 -4.718 -7.287 1.00 0.00 O ATOM 501 CB GLU A 32 9.571 -5.600 -4.105 1.00 0.00 C ATOM 502 CG GLU A 32 9.578 -4.888 -2.761 1.00 0.00 C ATOM 503 CD GLU A 32 10.631 -5.433 -1.817 1.00 0.00 C ATOM 504 OE1 GLU A 32 10.357 -6.449 -1.145 1.00 0.00 O ATOM 505 OE2 GLU A 32 11.731 -4.844 -1.750 1.00 0.00 O ATOM 0 H GLU A 32 7.117 -5.814 -3.991 1.00 0.00 H new ATOM 0 HA GLU A 32 8.772 -3.870 -5.092 1.00 0.00 H new ATOM 0 HB2 GLU A 32 9.265 -6.636 -3.956 1.00 0.00 H new ATOM 0 HB3 GLU A 32 10.586 -5.621 -4.501 1.00 0.00 H new ATOM 0 HG2 GLU A 32 9.753 -3.824 -2.919 1.00 0.00 H new ATOM 0 HG3 GLU A 32 8.596 -4.984 -2.298 1.00 0.00 H new ATOM 512 N GLN A 33 8.575 -6.632 -6.885 1.00 0.00 N ATOM 513 CA GLN A 33 8.850 -7.197 -8.199 1.00 0.00 C ATOM 514 C GLN A 33 8.275 -6.301 -9.288 1.00 0.00 C ATOM 515 O GLN A 33 8.935 -6.013 -10.284 1.00 0.00 O ATOM 516 CB GLN A 33 8.261 -8.605 -8.311 1.00 0.00 C ATOM 517 CG GLN A 33 9.148 -9.685 -7.713 1.00 0.00 C ATOM 518 CD GLN A 33 10.068 -10.317 -8.739 1.00 0.00 C ATOM 519 OE1 GLN A 33 9.619 -11.024 -9.640 1.00 0.00 O ATOM 520 NE2 GLN A 33 11.365 -10.064 -8.606 1.00 0.00 N ATOM 0 H GLN A 33 8.024 -7.235 -6.274 1.00 0.00 H new ATOM 0 HA GLN A 33 9.930 -7.261 -8.328 1.00 0.00 H new ATOM 0 HB2 GLN A 33 7.292 -8.625 -7.812 1.00 0.00 H new ATOM 0 HB3 GLN A 33 8.083 -8.833 -9.362 1.00 0.00 H new ATOM 0 HG2 GLN A 33 9.746 -9.255 -6.910 1.00 0.00 H new ATOM 0 HG3 GLN A 33 8.522 -10.458 -7.266 1.00 0.00 H new ATOM 0 HE21 GLN A 33 11.693 -9.472 -7.843 1.00 0.00 H new ATOM 0 HE22 GLN A 33 12.033 -10.462 -9.267 1.00 0.00 H new ATOM 529 N PHE A 34 7.029 -5.882 -9.095 1.00 0.00 N ATOM 530 CA PHE A 34 6.361 -5.003 -10.046 1.00 0.00 C ATOM 531 C PHE A 34 7.177 -3.734 -10.281 1.00 0.00 C ATOM 532 O PHE A 34 7.159 -3.169 -11.375 1.00 0.00 O ATOM 533 CB PHE A 34 4.963 -4.638 -9.544 1.00 0.00 C ATOM 534 CG PHE A 34 3.907 -5.633 -9.936 1.00 0.00 C ATOM 535 CD1 PHE A 34 3.548 -5.796 -11.265 1.00 0.00 C ATOM 536 CD2 PHE A 34 3.274 -6.407 -8.977 1.00 0.00 C ATOM 537 CE1 PHE A 34 2.578 -6.710 -11.629 1.00 0.00 C ATOM 538 CE2 PHE A 34 2.304 -7.324 -9.334 1.00 0.00 C ATOM 539 CZ PHE A 34 1.956 -7.476 -10.662 1.00 0.00 C ATOM 0 H PHE A 34 6.461 -6.138 -8.287 1.00 0.00 H new ATOM 0 HA PHE A 34 6.271 -5.537 -10.992 1.00 0.00 H new ATOM 0 HB2 PHE A 34 4.986 -4.554 -8.458 1.00 0.00 H new ATOM 0 HB3 PHE A 34 4.690 -3.657 -9.934 1.00 0.00 H new ATOM 0 HD1 PHE A 34 4.033 -5.201 -12.025 1.00 0.00 H new ATOM 0 HD2 PHE A 34 3.542 -6.292 -7.937 1.00 0.00 H new ATOM 0 HE1 PHE A 34 2.306 -6.826 -12.668 1.00 0.00 H new ATOM 0 HE2 PHE A 34 1.819 -7.921 -8.576 1.00 0.00 H new ATOM 0 HZ PHE A 34 1.199 -8.193 -10.944 1.00 0.00 H new ATOM 549 N LEU A 35 7.893 -3.291 -9.250 1.00 0.00 N ATOM 550 CA LEU A 35 8.718 -2.089 -9.349 1.00 0.00 C ATOM 551 C LEU A 35 9.921 -2.322 -10.261 1.00 0.00 C ATOM 552 O LEU A 35 10.544 -1.374 -10.740 1.00 0.00 O ATOM 553 CB LEU A 35 9.194 -1.654 -7.962 1.00 0.00 C ATOM 554 CG LEU A 35 8.180 -0.841 -7.155 1.00 0.00 C ATOM 555 CD1 LEU A 35 8.279 -1.182 -5.676 1.00 0.00 C ATOM 556 CD2 LEU A 35 8.395 0.648 -7.376 1.00 0.00 C ATOM 0 H LEU A 35 7.919 -3.746 -8.337 1.00 0.00 H new ATOM 0 HA LEU A 35 8.106 -1.298 -9.782 1.00 0.00 H new ATOM 0 HB2 LEU A 35 9.461 -2.543 -7.391 1.00 0.00 H new ATOM 0 HB3 LEU A 35 10.103 -1.063 -8.075 1.00 0.00 H new ATOM 0 HG LEU A 35 7.179 -1.099 -7.500 1.00 0.00 H new ATOM 0 HD11 LEU A 35 7.550 -0.594 -5.118 1.00 0.00 H new ATOM 0 HD12 LEU A 35 8.075 -2.243 -5.533 1.00 0.00 H new ATOM 0 HD13 LEU A 35 9.282 -0.953 -5.316 1.00 0.00 H new ATOM 0 HD21 LEU A 35 7.665 1.211 -6.795 1.00 0.00 H new ATOM 0 HD22 LEU A 35 9.401 0.921 -7.058 1.00 0.00 H new ATOM 0 HD23 LEU A 35 8.273 0.880 -8.434 1.00 0.00 H new ATOM 568 N ASP A 36 10.238 -3.591 -10.494 1.00 0.00 N ATOM 569 CA ASP A 36 11.366 -3.953 -11.345 1.00 0.00 C ATOM 570 C ASP A 36 11.076 -3.599 -12.801 1.00 0.00 C ATOM 571 O ASP A 36 11.959 -3.660 -13.656 1.00 0.00 O ATOM 572 CB ASP A 36 11.674 -5.448 -11.223 1.00 0.00 C ATOM 573 CG ASP A 36 13.074 -5.790 -11.691 1.00 0.00 C ATOM 574 OD1 ASP A 36 14.028 -5.585 -10.911 1.00 0.00 O ATOM 575 OD2 ASP A 36 13.216 -6.265 -12.837 1.00 0.00 O ATOM 0 H ASP A 36 9.730 -4.386 -10.106 1.00 0.00 H new ATOM 0 HA ASP A 36 12.236 -3.387 -11.013 1.00 0.00 H new ATOM 0 HB2 ASP A 36 11.556 -5.757 -10.184 1.00 0.00 H new ATOM 0 HB3 ASP A 36 10.950 -6.014 -11.809 1.00 0.00 H new ATOM 580 N THR A 37 9.828 -3.228 -13.070 1.00 0.00 N ATOM 581 CA THR A 37 9.407 -2.857 -14.412 1.00 0.00 C ATOM 582 C THR A 37 8.725 -1.495 -14.399 1.00 0.00 C ATOM 583 O THR A 37 7.652 -1.331 -13.819 1.00 0.00 O ATOM 584 CB THR A 37 8.442 -3.898 -15.010 1.00 0.00 C ATOM 585 OG1 THR A 37 7.730 -4.566 -13.960 1.00 0.00 O ATOM 586 CG2 THR A 37 9.197 -4.919 -15.846 1.00 0.00 C ATOM 0 H THR A 37 9.088 -3.177 -12.370 1.00 0.00 H new ATOM 0 HA THR A 37 10.303 -2.815 -15.032 1.00 0.00 H new ATOM 0 HB THR A 37 7.734 -3.377 -15.655 1.00 0.00 H new ATOM 0 HG1 THR A 37 6.855 -4.858 -14.292 1.00 0.00 H new ATOM 0 HG21 THR A 37 8.494 -5.643 -16.258 1.00 0.00 H new ATOM 0 HG22 THR A 37 9.714 -4.412 -16.661 1.00 0.00 H new ATOM 0 HG23 THR A 37 9.925 -5.435 -15.220 1.00 0.00 H new ATOM 594 N ASN A 38 9.363 -0.521 -15.035 1.00 0.00 N ATOM 595 CA ASN A 38 8.828 0.836 -15.100 1.00 0.00 C ATOM 596 C ASN A 38 7.715 0.943 -16.140 1.00 0.00 C ATOM 597 O ASN A 38 7.806 1.729 -17.083 1.00 0.00 O ATOM 598 CB ASN A 38 9.947 1.829 -15.427 1.00 0.00 C ATOM 599 CG ASN A 38 10.790 1.383 -16.606 1.00 0.00 C ATOM 600 OD1 ASN A 38 11.650 0.512 -16.475 1.00 0.00 O ATOM 601 ND2 ASN A 38 10.548 1.982 -17.766 1.00 0.00 N ATOM 0 H ASN A 38 10.254 -0.644 -15.515 1.00 0.00 H new ATOM 0 HA ASN A 38 8.406 1.078 -14.125 1.00 0.00 H new ATOM 0 HB2 ASN A 38 9.511 2.804 -15.644 1.00 0.00 H new ATOM 0 HB3 ASN A 38 10.586 1.952 -14.553 1.00 0.00 H new ATOM 0 HD21 ASN A 38 11.085 1.725 -18.594 1.00 0.00 H new ATOM 0 HD22 ASN A 38 9.825 2.699 -17.829 1.00 0.00 H new ATOM 608 N GLU A 39 6.664 0.150 -15.959 1.00 0.00 N ATOM 609 CA GLU A 39 5.529 0.159 -16.876 1.00 0.00 C ATOM 610 C GLU A 39 4.248 0.547 -16.145 1.00 0.00 C ATOM 611 O GLU A 39 4.025 0.139 -15.005 1.00 0.00 O ATOM 612 CB GLU A 39 5.362 -1.213 -17.530 1.00 0.00 C ATOM 613 CG GLU A 39 6.316 -1.455 -18.690 1.00 0.00 C ATOM 614 CD GLU A 39 5.810 -0.865 -19.992 1.00 0.00 C ATOM 615 OE1 GLU A 39 5.088 -1.574 -20.724 1.00 0.00 O ATOM 616 OE2 GLU A 39 6.136 0.306 -20.279 1.00 0.00 O ATOM 0 H GLU A 39 6.574 -0.508 -15.185 1.00 0.00 H new ATOM 0 HA GLU A 39 5.724 0.899 -17.652 1.00 0.00 H new ATOM 0 HB2 GLU A 39 5.515 -1.986 -16.777 1.00 0.00 H new ATOM 0 HB3 GLU A 39 4.337 -1.314 -17.886 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.288 -1.023 -18.453 1.00 0.00 H new ATOM 0 HG3 GLU A 39 6.466 -2.527 -18.815 1.00 0.00 H new ATOM 623 N THR A 40 3.410 1.338 -16.808 1.00 0.00 N ATOM 624 CA THR A 40 2.151 1.783 -16.222 1.00 0.00 C ATOM 625 C THR A 40 1.237 0.604 -15.878 1.00 0.00 C ATOM 626 O THR A 40 0.717 0.529 -14.765 1.00 0.00 O ATOM 627 CB THR A 40 1.403 2.753 -17.156 1.00 0.00 C ATOM 628 OG1 THR A 40 2.332 3.640 -17.790 1.00 0.00 O ATOM 629 CG2 THR A 40 0.371 3.561 -16.383 1.00 0.00 C ATOM 0 H THR A 40 3.581 1.684 -17.752 1.00 0.00 H new ATOM 0 HA THR A 40 2.409 2.307 -15.301 1.00 0.00 H new ATOM 0 HB THR A 40 0.888 2.165 -17.915 1.00 0.00 H new ATOM 0 HG1 THR A 40 1.848 4.252 -18.383 1.00 0.00 H new ATOM 0 HG21 THR A 40 -0.144 4.239 -17.063 1.00 0.00 H new ATOM 0 HG22 THR A 40 -0.353 2.885 -15.927 1.00 0.00 H new ATOM 0 HG23 THR A 40 0.870 4.138 -15.604 1.00 0.00 H new ATOM 637 N PRO A 41 1.021 -0.337 -16.825 1.00 0.00 N ATOM 638 CA PRO A 41 0.159 -1.502 -16.587 1.00 0.00 C ATOM 639 C PRO A 41 0.631 -2.341 -15.404 1.00 0.00 C ATOM 640 O PRO A 41 -0.157 -3.060 -14.786 1.00 0.00 O ATOM 641 CB PRO A 41 0.267 -2.309 -17.885 1.00 0.00 C ATOM 642 CG PRO A 41 0.715 -1.328 -18.912 1.00 0.00 C ATOM 643 CD PRO A 41 1.587 -0.345 -18.186 1.00 0.00 C ATOM 0 HA PRO A 41 -0.860 -1.203 -16.341 1.00 0.00 H new ATOM 0 HB2 PRO A 41 0.980 -3.127 -17.783 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -0.691 -2.753 -18.155 1.00 0.00 H new ATOM 0 HG2 PRO A 41 1.266 -1.823 -19.712 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -0.137 -0.829 -19.374 1.00 0.00 H new ATOM 0 HD2 PRO A 41 2.632 -0.656 -18.186 1.00 0.00 H new ATOM 0 HD3 PRO A 41 1.549 0.643 -18.644 1.00 0.00 H new ATOM 651 N TYR A 42 1.920 -2.247 -15.093 1.00 0.00 N ATOM 652 CA TYR A 42 2.496 -3.000 -13.984 1.00 0.00 C ATOM 653 C TYR A 42 2.335 -2.245 -12.668 1.00 0.00 C ATOM 654 O TYR A 42 2.105 -2.849 -11.621 1.00 0.00 O ATOM 655 CB TYR A 42 3.978 -3.280 -14.248 1.00 0.00 C ATOM 656 CG TYR A 42 4.217 -4.441 -15.186 1.00 0.00 C ATOM 657 CD1 TYR A 42 3.957 -4.325 -16.547 1.00 0.00 C ATOM 658 CD2 TYR A 42 4.702 -5.653 -14.713 1.00 0.00 C ATOM 659 CE1 TYR A 42 4.173 -5.383 -17.407 1.00 0.00 C ATOM 660 CE2 TYR A 42 4.922 -6.717 -15.569 1.00 0.00 C ATOM 661 CZ TYR A 42 4.656 -6.577 -16.914 1.00 0.00 C ATOM 662 OH TYR A 42 4.873 -7.633 -17.768 1.00 0.00 O ATOM 0 H TYR A 42 2.585 -1.657 -15.593 1.00 0.00 H new ATOM 0 HA TYR A 42 1.962 -3.947 -13.904 1.00 0.00 H new ATOM 0 HB2 TYR A 42 4.439 -2.385 -14.666 1.00 0.00 H new ATOM 0 HB3 TYR A 42 4.476 -3.482 -13.299 1.00 0.00 H new ATOM 0 HD1 TYR A 42 3.580 -3.392 -16.938 1.00 0.00 H new ATOM 0 HD2 TYR A 42 4.911 -5.767 -13.660 1.00 0.00 H new ATOM 0 HE1 TYR A 42 3.965 -5.276 -18.461 1.00 0.00 H new ATOM 0 HE2 TYR A 42 5.300 -7.653 -15.185 1.00 0.00 H new ATOM 0 HH TYR A 42 5.215 -8.399 -17.261 1.00 0.00 H new ATOM 672 N PHE A 43 2.457 -0.923 -12.729 1.00 0.00 N ATOM 673 CA PHE A 43 2.323 -0.090 -11.539 1.00 0.00 C ATOM 674 C PHE A 43 0.868 -0.025 -11.086 1.00 0.00 C ATOM 675 O PHE A 43 0.580 0.234 -9.916 1.00 0.00 O ATOM 676 CB PHE A 43 2.858 1.316 -11.808 1.00 0.00 C ATOM 677 CG PHE A 43 4.286 1.499 -11.377 1.00 0.00 C ATOM 678 CD1 PHE A 43 4.605 1.642 -10.037 1.00 0.00 C ATOM 679 CD2 PHE A 43 5.308 1.523 -12.313 1.00 0.00 C ATOM 680 CE1 PHE A 43 5.917 1.805 -9.636 1.00 0.00 C ATOM 681 CE2 PHE A 43 6.623 1.687 -11.918 1.00 0.00 C ATOM 682 CZ PHE A 43 6.928 1.827 -10.578 1.00 0.00 C ATOM 0 H PHE A 43 2.648 -0.406 -13.587 1.00 0.00 H new ATOM 0 HA PHE A 43 2.912 -0.540 -10.740 1.00 0.00 H new ATOM 0 HB2 PHE A 43 2.777 1.531 -12.873 1.00 0.00 H new ATOM 0 HB3 PHE A 43 2.232 2.041 -11.288 1.00 0.00 H new ATOM 0 HD1 PHE A 43 3.819 1.626 -9.297 1.00 0.00 H new ATOM 0 HD2 PHE A 43 5.075 1.412 -13.362 1.00 0.00 H new ATOM 0 HE1 PHE A 43 6.152 1.915 -8.588 1.00 0.00 H new ATOM 0 HE2 PHE A 43 7.411 1.706 -12.656 1.00 0.00 H new ATOM 0 HZ PHE A 43 7.955 1.953 -10.267 1.00 0.00 H new ATOM 692 N MET A 44 -0.046 -0.264 -12.020 1.00 0.00 N ATOM 693 CA MET A 44 -1.470 -0.246 -11.712 1.00 0.00 C ATOM 694 C MET A 44 -1.816 -1.410 -10.794 1.00 0.00 C ATOM 695 O MET A 44 -2.746 -1.331 -9.988 1.00 0.00 O ATOM 696 CB MET A 44 -2.297 -0.325 -12.998 1.00 0.00 C ATOM 697 CG MET A 44 -2.446 1.011 -13.707 1.00 0.00 C ATOM 698 SD MET A 44 -3.464 0.899 -15.191 1.00 0.00 S ATOM 699 CE MET A 44 -3.454 2.604 -15.739 1.00 0.00 C ATOM 0 H MET A 44 0.174 -0.472 -12.994 1.00 0.00 H new ATOM 0 HA MET A 44 -1.707 0.690 -11.206 1.00 0.00 H new ATOM 0 HB2 MET A 44 -1.830 -1.038 -13.678 1.00 0.00 H new ATOM 0 HB3 MET A 44 -3.287 -0.713 -12.760 1.00 0.00 H new ATOM 0 HG2 MET A 44 -2.888 1.734 -13.022 1.00 0.00 H new ATOM 0 HG3 MET A 44 -1.459 1.388 -13.976 1.00 0.00 H new ATOM 0 HE1 MET A 44 -4.399 2.833 -16.231 1.00 0.00 H new ATOM 0 HE2 MET A 44 -3.323 3.262 -14.880 1.00 0.00 H new ATOM 0 HE3 MET A 44 -2.633 2.756 -16.440 1.00 0.00 H new ATOM 709 N LYS A 45 -1.053 -2.492 -10.925 1.00 0.00 N ATOM 710 CA LYS A 45 -1.256 -3.680 -10.108 1.00 0.00 C ATOM 711 C LYS A 45 -0.697 -3.465 -8.706 1.00 0.00 C ATOM 712 O LYS A 45 -1.173 -4.059 -7.737 1.00 0.00 O ATOM 713 CB LYS A 45 -0.588 -4.891 -10.759 1.00 0.00 C ATOM 714 CG LYS A 45 -1.334 -6.195 -10.528 1.00 0.00 C ATOM 715 CD LYS A 45 -1.664 -6.887 -11.840 1.00 0.00 C ATOM 716 CE LYS A 45 -2.837 -7.842 -11.687 1.00 0.00 C ATOM 717 NZ LYS A 45 -3.680 -7.889 -12.914 1.00 0.00 N ATOM 0 H LYS A 45 -0.286 -2.568 -11.593 1.00 0.00 H new ATOM 0 HA LYS A 45 -2.327 -3.867 -10.031 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -0.503 -4.716 -11.831 1.00 0.00 H new ATOM 0 HB3 LYS A 45 0.426 -4.988 -10.371 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -0.729 -6.857 -9.908 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -2.254 -5.997 -9.978 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -1.899 -6.139 -12.598 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -0.791 -7.435 -12.193 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -2.464 -8.842 -11.464 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -3.448 -7.533 -10.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -4.621 -8.262 -12.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -3.777 -6.930 -13.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -3.232 -8.508 -13.620 1.00 0.00 H new ATOM 731 N SER A 46 0.314 -2.603 -8.603 1.00 0.00 N ATOM 732 CA SER A 46 0.930 -2.305 -7.316 1.00 0.00 C ATOM 733 C SER A 46 -0.071 -1.597 -6.417 1.00 0.00 C ATOM 734 O SER A 46 -0.280 -1.991 -5.269 1.00 0.00 O ATOM 735 CB SER A 46 2.174 -1.435 -7.507 1.00 0.00 C ATOM 736 OG SER A 46 3.023 -1.973 -8.506 1.00 0.00 O ATOM 0 H SER A 46 0.721 -2.102 -9.393 1.00 0.00 H new ATOM 0 HA SER A 46 1.232 -3.241 -6.846 1.00 0.00 H new ATOM 0 HB2 SER A 46 1.876 -0.424 -7.784 1.00 0.00 H new ATOM 0 HB3 SER A 46 2.717 -1.360 -6.565 1.00 0.00 H new ATOM 0 HG SER A 46 3.810 -1.398 -8.611 1.00 0.00 H new ATOM 742 N ILE A 47 -0.682 -0.540 -6.946 1.00 0.00 N ATOM 743 CA ILE A 47 -1.685 0.207 -6.201 1.00 0.00 C ATOM 744 C ILE A 47 -2.849 -0.705 -5.845 1.00 0.00 C ATOM 745 O ILE A 47 -3.405 -0.622 -4.751 1.00 0.00 O ATOM 746 CB ILE A 47 -2.209 1.412 -7.002 1.00 0.00 C ATOM 747 CG1 ILE A 47 -1.043 2.275 -7.481 1.00 0.00 C ATOM 748 CG2 ILE A 47 -3.172 2.235 -6.159 1.00 0.00 C ATOM 749 CD1 ILE A 47 -1.222 2.807 -8.884 1.00 0.00 C ATOM 0 H ILE A 47 -0.499 -0.184 -7.884 1.00 0.00 H new ATOM 0 HA ILE A 47 -1.211 0.582 -5.294 1.00 0.00 H new ATOM 0 HB ILE A 47 -2.749 1.042 -7.874 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.917 3.114 -6.796 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.126 1.688 -7.438 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -3.532 3.083 -6.742 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -4.017 1.614 -5.861 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -2.658 2.599 -5.269 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -0.357 3.411 -9.157 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -1.317 1.973 -9.580 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -2.121 3.421 -8.928 1.00 0.00 H new ATOM 761 N ASP A 48 -3.218 -1.572 -6.786 1.00 0.00 N ATOM 762 CA ASP A 48 -4.304 -2.518 -6.560 1.00 0.00 C ATOM 763 C ASP A 48 -3.958 -3.431 -5.391 1.00 0.00 C ATOM 764 O ASP A 48 -4.839 -3.968 -4.717 1.00 0.00 O ATOM 765 CB ASP A 48 -4.561 -3.349 -7.819 1.00 0.00 C ATOM 766 CG ASP A 48 -6.021 -3.343 -8.228 1.00 0.00 C ATOM 767 OD1 ASP A 48 -6.462 -2.348 -8.842 1.00 0.00 O ATOM 768 OD2 ASP A 48 -6.724 -4.331 -7.932 1.00 0.00 O ATOM 0 H ASP A 48 -2.783 -1.638 -7.706 1.00 0.00 H new ATOM 0 HA ASP A 48 -5.211 -1.961 -6.323 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.956 -2.960 -8.638 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -4.240 -4.376 -7.645 1.00 0.00 H new ATOM 773 N CYS A 49 -2.659 -3.591 -5.157 1.00 0.00 N ATOM 774 CA CYS A 49 -2.173 -4.422 -4.067 1.00 0.00 C ATOM 775 C CYS A 49 -2.179 -3.629 -2.766 1.00 0.00 C ATOM 776 O CYS A 49 -2.582 -4.137 -1.717 1.00 0.00 O ATOM 777 CB CYS A 49 -0.760 -4.928 -4.366 1.00 0.00 C ATOM 778 SG CYS A 49 -0.714 -6.491 -5.275 1.00 0.00 S ATOM 0 H CYS A 49 -1.923 -3.153 -5.712 1.00 0.00 H new ATOM 0 HA CYS A 49 -2.834 -5.282 -3.964 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -0.228 -4.170 -4.941 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -0.223 -5.051 -3.426 1.00 0.00 H new ATOM 0 HG CYS A 49 0.522 -6.836 -5.483 1.00 0.00 H new ATOM 784 N ILE A 50 -1.725 -2.379 -2.840 1.00 0.00 N ATOM 785 CA ILE A 50 -1.691 -1.506 -1.675 1.00 0.00 C ATOM 786 C ILE A 50 -3.105 -1.188 -1.197 1.00 0.00 C ATOM 787 O ILE A 50 -3.327 -0.933 -0.016 1.00 0.00 O ATOM 788 CB ILE A 50 -0.936 -0.190 -1.988 1.00 0.00 C ATOM 789 CG1 ILE A 50 -0.130 0.272 -0.772 1.00 0.00 C ATOM 790 CG2 ILE A 50 -1.898 0.903 -2.436 1.00 0.00 C ATOM 791 CD1 ILE A 50 0.936 1.291 -1.107 1.00 0.00 C ATOM 0 H ILE A 50 -1.376 -1.950 -3.697 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.159 -2.033 -0.883 1.00 0.00 H new ATOM 0 HB ILE A 50 -0.245 -0.388 -2.808 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -0.811 0.699 -0.036 1.00 0.00 H new ATOM 0 HG13 ILE A 50 0.340 -0.595 -0.307 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -1.339 1.815 -2.649 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -2.422 0.580 -3.336 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -2.622 1.097 -1.645 1.00 0.00 H new ATOM 0 HD11 ILE A 50 1.468 1.573 -0.198 1.00 0.00 H new ATOM 0 HD12 ILE A 50 1.639 0.861 -1.820 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.470 2.174 -1.544 1.00 0.00 H new ATOM 803 N ARG A 51 -4.056 -1.208 -2.129 1.00 0.00 N ATOM 804 CA ARG A 51 -5.451 -0.923 -1.809 1.00 0.00 C ATOM 805 C ARG A 51 -6.109 -2.127 -1.146 1.00 0.00 C ATOM 806 O ARG A 51 -7.005 -1.980 -0.313 1.00 0.00 O ATOM 807 CB ARG A 51 -6.220 -0.539 -3.075 1.00 0.00 C ATOM 808 CG ARG A 51 -5.934 0.874 -3.556 1.00 0.00 C ATOM 809 CD ARG A 51 -7.208 1.696 -3.659 1.00 0.00 C ATOM 810 NE ARG A 51 -8.144 1.136 -4.632 1.00 0.00 N ATOM 811 CZ ARG A 51 -9.461 1.102 -4.454 1.00 0.00 C ATOM 812 NH1 ARG A 51 -9.996 1.594 -3.344 1.00 0.00 N ATOM 813 NH2 ARG A 51 -10.244 0.576 -5.386 1.00 0.00 N ATOM 0 H ARG A 51 -3.885 -1.419 -3.112 1.00 0.00 H new ATOM 0 HA ARG A 51 -5.476 -0.086 -1.112 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -5.969 -1.242 -3.869 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -7.289 -0.640 -2.886 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -5.241 1.360 -2.869 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -5.445 0.836 -4.529 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -7.688 1.745 -2.681 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -6.958 2.718 -3.943 1.00 0.00 H new ATOM 0 HE ARG A 51 -7.765 0.749 -5.497 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -9.397 1.999 -2.625 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -11.007 1.567 -3.210 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -9.836 0.197 -6.241 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -11.254 0.550 -5.248 1.00 0.00 H new ATOM 827 N ALA A 52 -5.647 -3.317 -1.515 1.00 0.00 N ATOM 828 CA ALA A 52 -6.183 -4.548 -0.954 1.00 0.00 C ATOM 829 C ALA A 52 -5.634 -4.761 0.448 1.00 0.00 C ATOM 830 O ALA A 52 -6.318 -5.291 1.325 1.00 0.00 O ATOM 831 CB ALA A 52 -5.843 -5.731 -1.848 1.00 0.00 C ATOM 0 H ALA A 52 -4.903 -3.453 -2.200 1.00 0.00 H new ATOM 0 HA ALA A 52 -7.268 -4.466 -0.896 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -6.251 -6.644 -1.414 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -6.274 -5.575 -2.837 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -4.760 -5.823 -1.934 1.00 0.00 H new ATOM 837 N PHE A 53 -4.389 -4.341 0.648 1.00 0.00 N ATOM 838 CA PHE A 53 -3.733 -4.471 1.943 1.00 0.00 C ATOM 839 C PHE A 53 -4.171 -3.357 2.889 1.00 0.00 C ATOM 840 O PHE A 53 -4.538 -3.612 4.034 1.00 0.00 O ATOM 841 CB PHE A 53 -2.214 -4.441 1.772 1.00 0.00 C ATOM 842 CG PHE A 53 -1.463 -4.890 2.993 1.00 0.00 C ATOM 843 CD1 PHE A 53 -1.207 -6.235 3.208 1.00 0.00 C ATOM 844 CD2 PHE A 53 -1.012 -3.968 3.924 1.00 0.00 C ATOM 845 CE1 PHE A 53 -0.516 -6.651 4.330 1.00 0.00 C ATOM 846 CE2 PHE A 53 -0.321 -4.379 5.048 1.00 0.00 C ATOM 847 CZ PHE A 53 -0.072 -5.722 5.251 1.00 0.00 C ATOM 0 H PHE A 53 -3.813 -3.906 -0.073 1.00 0.00 H new ATOM 0 HA PHE A 53 -4.025 -5.427 2.377 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.939 -5.078 0.931 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -1.905 -3.427 1.518 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -1.551 -6.966 2.491 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -1.203 -2.916 3.769 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -0.323 -7.702 4.487 1.00 0.00 H new ATOM 0 HE2 PHE A 53 0.024 -3.651 5.767 1.00 0.00 H new ATOM 0 HZ PHE A 53 0.469 -6.045 6.128 1.00 0.00 H new ATOM 857 N ARG A 54 -4.118 -2.119 2.402 1.00 0.00 N ATOM 858 CA ARG A 54 -4.510 -0.958 3.202 1.00 0.00 C ATOM 859 C ARG A 54 -5.899 -1.138 3.803 1.00 0.00 C ATOM 860 O ARG A 54 -6.199 -0.594 4.863 1.00 0.00 O ATOM 861 CB ARG A 54 -4.481 0.310 2.347 1.00 0.00 C ATOM 862 CG ARG A 54 -4.478 1.596 3.156 1.00 0.00 C ATOM 863 CD ARG A 54 -5.873 2.187 3.268 1.00 0.00 C ATOM 864 NE ARG A 54 -5.911 3.333 4.173 1.00 0.00 N ATOM 865 CZ ARG A 54 -7.022 3.997 4.479 1.00 0.00 C ATOM 866 NH1 ARG A 54 -8.184 3.631 3.954 1.00 0.00 N ATOM 867 NH2 ARG A 54 -6.970 5.029 5.310 1.00 0.00 N ATOM 0 H ARG A 54 -3.807 -1.893 1.457 1.00 0.00 H new ATOM 0 HA ARG A 54 -3.794 -0.863 4.018 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -3.595 0.289 1.713 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -5.347 0.310 1.685 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -4.084 1.399 4.153 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -3.812 2.320 2.688 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -6.217 2.494 2.280 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -6.563 1.422 3.623 1.00 0.00 H new ATOM 0 HE ARG A 54 -5.035 3.642 4.595 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -8.227 2.838 3.314 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -9.034 4.142 4.191 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -6.078 5.314 5.715 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -7.822 5.538 5.545 1.00 0.00 H new ATOM 881 N GLU A 55 -6.743 -1.901 3.121 1.00 0.00 N ATOM 882 CA GLU A 55 -8.103 -2.138 3.591 1.00 0.00 C ATOM 883 C GLU A 55 -8.148 -3.278 4.605 1.00 0.00 C ATOM 884 O GLU A 55 -8.657 -3.112 5.714 1.00 0.00 O ATOM 885 CB GLU A 55 -9.022 -2.455 2.410 1.00 0.00 C ATOM 886 CG GLU A 55 -10.477 -2.091 2.658 1.00 0.00 C ATOM 887 CD GLU A 55 -11.384 -2.503 1.514 1.00 0.00 C ATOM 888 OE1 GLU A 55 -11.456 -1.757 0.515 1.00 0.00 O ATOM 889 OE2 GLU A 55 -12.022 -3.572 1.619 1.00 0.00 O ATOM 0 H GLU A 55 -6.512 -2.366 2.243 1.00 0.00 H new ATOM 0 HA GLU A 55 -8.450 -1.230 4.084 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -8.667 -1.919 1.530 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -8.956 -3.519 2.184 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -10.816 -2.570 3.576 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -10.558 -1.015 2.811 1.00 0.00 H new ATOM 896 N GLU A 56 -7.603 -4.427 4.224 1.00 0.00 N ATOM 897 CA GLU A 56 -7.601 -5.600 5.093 1.00 0.00 C ATOM 898 C GLU A 56 -6.781 -5.368 6.360 1.00 0.00 C ATOM 899 O GLU A 56 -7.018 -6.007 7.387 1.00 0.00 O ATOM 900 CB GLU A 56 -7.053 -6.814 4.340 1.00 0.00 C ATOM 901 CG GLU A 56 -8.052 -7.434 3.378 1.00 0.00 C ATOM 902 CD GLU A 56 -8.332 -8.892 3.687 1.00 0.00 C ATOM 903 OE1 GLU A 56 -7.362 -9.666 3.827 1.00 0.00 O ATOM 904 OE2 GLU A 56 -9.522 -9.259 3.789 1.00 0.00 O ATOM 0 H GLU A 56 -7.156 -4.573 3.319 1.00 0.00 H new ATOM 0 HA GLU A 56 -8.633 -5.787 5.390 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -6.164 -6.516 3.785 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -6.740 -7.568 5.062 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -8.985 -6.872 3.417 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -7.672 -7.349 2.360 1.00 0.00 H new ATOM 911 N ALA A 57 -5.824 -4.448 6.291 1.00 0.00 N ATOM 912 CA ALA A 57 -4.965 -4.155 7.432 1.00 0.00 C ATOM 913 C ALA A 57 -5.584 -3.106 8.349 1.00 0.00 C ATOM 914 O ALA A 57 -5.828 -3.364 9.530 1.00 0.00 O ATOM 915 CB ALA A 57 -3.596 -3.694 6.955 1.00 0.00 C ATOM 0 H ALA A 57 -5.624 -3.894 5.458 1.00 0.00 H new ATOM 0 HA ALA A 57 -4.854 -5.074 8.007 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.964 -3.478 7.817 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -3.136 -4.479 6.355 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -3.705 -2.793 6.351 1.00 0.00 H new ATOM 921 N ILE A 58 -5.837 -1.921 7.798 1.00 0.00 N ATOM 922 CA ILE A 58 -6.417 -0.829 8.570 1.00 0.00 C ATOM 923 C ILE A 58 -7.726 -1.256 9.223 1.00 0.00 C ATOM 924 O ILE A 58 -7.981 -0.937 10.385 1.00 0.00 O ATOM 925 CB ILE A 58 -6.655 0.421 7.693 1.00 0.00 C ATOM 926 CG1 ILE A 58 -5.368 1.243 7.583 1.00 0.00 C ATOM 927 CG2 ILE A 58 -7.781 1.278 8.257 1.00 0.00 C ATOM 928 CD1 ILE A 58 -4.258 0.547 6.825 1.00 0.00 C ATOM 0 H ILE A 58 -5.649 -1.694 6.821 1.00 0.00 H new ATOM 0 HA ILE A 58 -5.700 -0.572 9.350 1.00 0.00 H new ATOM 0 HB ILE A 58 -6.949 0.087 6.698 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -5.594 2.189 7.090 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -5.015 1.483 8.586 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -7.928 2.151 7.621 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -8.701 0.694 8.290 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -7.521 1.603 9.265 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -3.381 1.193 6.790 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -4.003 -0.385 7.329 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.590 0.332 5.809 1.00 0.00 H new ATOM 940 N LYS A 59 -8.554 -1.976 8.471 1.00 0.00 N ATOM 941 CA LYS A 59 -9.830 -2.449 8.989 1.00 0.00 C ATOM 942 C LYS A 59 -9.636 -3.141 10.334 1.00 0.00 C ATOM 943 O LYS A 59 -10.345 -2.846 11.297 1.00 0.00 O ATOM 944 CB LYS A 59 -10.497 -3.401 7.994 1.00 0.00 C ATOM 945 CG LYS A 59 -11.360 -2.692 6.960 1.00 0.00 C ATOM 946 CD LYS A 59 -12.720 -3.357 6.821 1.00 0.00 C ATOM 947 CE LYS A 59 -13.714 -2.448 6.116 1.00 0.00 C ATOM 948 NZ LYS A 59 -14.299 -3.095 4.909 1.00 0.00 N ATOM 0 H LYS A 59 -8.364 -2.243 7.505 1.00 0.00 H new ATOM 0 HA LYS A 59 -10.482 -1.587 9.131 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -9.726 -3.975 7.480 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -11.113 -4.114 8.542 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -11.491 -1.649 7.247 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -10.852 -2.695 5.996 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -12.616 -4.287 6.262 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -13.101 -3.619 7.808 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -14.513 -2.179 6.807 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -13.217 -1.522 5.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -14.971 -2.443 4.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -13.540 -3.329 4.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -14.795 -3.965 5.188 1.00 0.00 H new ATOM 962 N PHE A 60 -8.669 -4.060 10.401 1.00 0.00 N ATOM 963 CA PHE A 60 -8.383 -4.775 11.643 1.00 0.00 C ATOM 964 C PHE A 60 -7.179 -5.700 11.482 1.00 0.00 C ATOM 965 O PHE A 60 -7.320 -6.874 11.144 1.00 0.00 O ATOM 966 CB PHE A 60 -9.611 -5.571 12.124 1.00 0.00 C ATOM 967 CG PHE A 60 -10.191 -6.518 11.106 1.00 0.00 C ATOM 968 CD1 PHE A 60 -11.005 -6.052 10.087 1.00 0.00 C ATOM 969 CD2 PHE A 60 -9.930 -7.879 11.177 1.00 0.00 C ATOM 970 CE1 PHE A 60 -11.543 -6.920 9.156 1.00 0.00 C ATOM 971 CE2 PHE A 60 -10.466 -8.752 10.249 1.00 0.00 C ATOM 972 CZ PHE A 60 -11.273 -8.272 9.238 1.00 0.00 C ATOM 0 H PHE A 60 -8.076 -4.324 9.614 1.00 0.00 H new ATOM 0 HA PHE A 60 -8.142 -4.029 12.400 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -9.332 -6.140 13.011 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -10.386 -4.867 12.427 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -11.222 -4.996 10.019 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -9.300 -8.261 11.967 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -12.174 -6.542 8.365 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -10.253 -9.809 10.315 1.00 0.00 H new ATOM 0 HZ PHE A 60 -11.693 -8.952 8.512 1.00 0.00 H new ATOM 982 N SER A 61 -5.987 -5.163 11.727 1.00 0.00 N ATOM 983 CA SER A 61 -4.766 -5.951 11.613 1.00 0.00 C ATOM 984 C SER A 61 -3.545 -5.166 12.080 1.00 0.00 C ATOM 985 O SER A 61 -3.284 -5.065 13.279 1.00 0.00 O ATOM 986 CB SER A 61 -4.567 -6.429 10.172 1.00 0.00 C ATOM 987 OG SER A 61 -3.636 -7.496 10.111 1.00 0.00 O ATOM 0 H SER A 61 -5.842 -4.192 12.004 1.00 0.00 H new ATOM 0 HA SER A 61 -4.875 -6.819 12.263 1.00 0.00 H new ATOM 0 HB2 SER A 61 -5.522 -6.752 9.758 1.00 0.00 H new ATOM 0 HB3 SER A 61 -4.216 -5.601 9.556 1.00 0.00 H new ATOM 0 HG SER A 61 -3.318 -7.600 9.190 1.00 0.00 H new ATOM 993 N GLU A 62 -2.800 -4.613 11.130 1.00 0.00 N ATOM 994 CA GLU A 62 -1.600 -3.854 11.454 1.00 0.00 C ATOM 995 C GLU A 62 -1.569 -2.527 10.709 1.00 0.00 C ATOM 996 O GLU A 62 -0.713 -2.301 9.855 1.00 0.00 O ATOM 997 CB GLU A 62 -0.350 -4.672 11.118 1.00 0.00 C ATOM 998 CG GLU A 62 -0.067 -5.785 12.113 1.00 0.00 C ATOM 999 CD GLU A 62 0.716 -5.303 13.319 1.00 0.00 C ATOM 1000 OE1 GLU A 62 1.963 -5.320 13.263 1.00 0.00 O ATOM 1001 OE2 GLU A 62 0.081 -4.909 14.321 1.00 0.00 O ATOM 0 H GLU A 62 -3.005 -4.676 10.133 1.00 0.00 H new ATOM 0 HA GLU A 62 -1.615 -3.643 12.523 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -0.465 -5.105 10.124 1.00 0.00 H new ATOM 0 HB3 GLU A 62 0.511 -4.005 11.077 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -1.010 -6.218 12.446 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.490 -6.579 11.616 1.00 0.00 H new ATOM 1008 N GLU A 63 -2.524 -1.662 11.024 1.00 0.00 N ATOM 1009 CA GLU A 63 -2.600 -0.345 10.394 1.00 0.00 C ATOM 1010 C GLU A 63 -1.274 0.409 10.520 1.00 0.00 C ATOM 1011 O GLU A 63 -0.890 1.161 9.623 1.00 0.00 O ATOM 1012 CB GLU A 63 -3.727 0.477 11.024 1.00 0.00 C ATOM 1013 CG GLU A 63 -3.618 0.603 12.534 1.00 0.00 C ATOM 1014 CD GLU A 63 -4.896 1.113 13.171 1.00 0.00 C ATOM 1015 OE1 GLU A 63 -5.839 0.309 13.336 1.00 0.00 O ATOM 1016 OE2 GLU A 63 -4.956 2.316 13.502 1.00 0.00 O ATOM 0 H GLU A 63 -3.256 -1.845 11.710 1.00 0.00 H new ATOM 0 HA GLU A 63 -2.809 -0.493 9.334 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -3.728 1.474 10.584 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -4.683 0.018 10.774 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -3.368 -0.369 12.959 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -2.799 1.279 12.780 1.00 0.00 H new ATOM 1023 N GLN A 64 -0.576 0.198 11.634 1.00 0.00 N ATOM 1024 CA GLN A 64 0.703 0.863 11.879 1.00 0.00 C ATOM 1025 C GLN A 64 1.784 0.335 10.941 1.00 0.00 C ATOM 1026 O GLN A 64 2.802 0.993 10.713 1.00 0.00 O ATOM 1027 CB GLN A 64 1.135 0.668 13.332 1.00 0.00 C ATOM 1028 CG GLN A 64 0.243 1.383 14.333 1.00 0.00 C ATOM 1029 CD GLN A 64 0.806 1.353 15.740 1.00 0.00 C ATOM 1030 OE1 GLN A 64 1.800 2.015 16.038 1.00 0.00 O ATOM 1031 NE2 GLN A 64 0.172 0.579 16.615 1.00 0.00 N ATOM 0 H GLN A 64 -0.874 -0.428 12.382 1.00 0.00 H new ATOM 0 HA GLN A 64 0.569 1.927 11.686 1.00 0.00 H new ATOM 0 HB2 GLN A 64 1.142 -0.398 13.560 1.00 0.00 H new ATOM 0 HB3 GLN A 64 2.158 1.026 13.449 1.00 0.00 H new ATOM 0 HG2 GLN A 64 0.110 2.419 14.021 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -0.744 0.920 14.330 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -0.649 0.047 16.325 1.00 0.00 H new ATOM 0 HE22 GLN A 64 0.506 0.517 17.577 1.00 0.00 H new ATOM 1040 N ARG A 65 1.555 -0.855 10.399 1.00 0.00 N ATOM 1041 CA ARG A 65 2.503 -1.465 9.476 1.00 0.00 C ATOM 1042 C ARG A 65 2.425 -0.761 8.128 1.00 0.00 C ATOM 1043 O ARG A 65 3.347 -0.836 7.310 1.00 0.00 O ATOM 1044 CB ARG A 65 2.208 -2.959 9.316 1.00 0.00 C ATOM 1045 CG ARG A 65 3.031 -3.634 8.230 1.00 0.00 C ATOM 1046 CD ARG A 65 2.621 -5.085 8.042 1.00 0.00 C ATOM 1047 NE ARG A 65 3.769 -5.948 7.771 1.00 0.00 N ATOM 1048 CZ ARG A 65 4.080 -7.015 8.502 1.00 0.00 C ATOM 1049 NH1 ARG A 65 3.332 -7.351 9.544 1.00 0.00 N ATOM 1050 NH2 ARG A 65 5.141 -7.748 8.189 1.00 0.00 N ATOM 0 H ARG A 65 0.723 -1.415 10.582 1.00 0.00 H new ATOM 0 HA ARG A 65 3.511 -1.358 9.877 1.00 0.00 H new ATOM 0 HB2 ARG A 65 2.395 -3.461 10.265 1.00 0.00 H new ATOM 0 HB3 ARG A 65 1.150 -3.089 9.090 1.00 0.00 H new ATOM 0 HG2 ARG A 65 2.908 -3.095 7.291 1.00 0.00 H new ATOM 0 HG3 ARG A 65 4.089 -3.584 8.489 1.00 0.00 H new ATOM 0 HD2 ARG A 65 2.107 -5.435 8.937 1.00 0.00 H new ATOM 0 HD3 ARG A 65 1.911 -5.157 7.218 1.00 0.00 H new ATOM 0 HE ARG A 65 4.366 -5.719 6.976 1.00 0.00 H new ATOM 0 HH11 ARG A 65 2.515 -6.791 9.787 1.00 0.00 H new ATOM 0 HH12 ARG A 65 3.573 -8.170 10.102 1.00 0.00 H new ATOM 0 HH21 ARG A 65 5.718 -7.493 7.388 1.00 0.00 H new ATOM 0 HH22 ARG A 65 5.379 -8.566 8.750 1.00 0.00 H new ATOM 1064 N PHE A 66 1.319 -0.053 7.918 1.00 0.00 N ATOM 1065 CA PHE A 66 1.098 0.676 6.679 1.00 0.00 C ATOM 1066 C PHE A 66 1.710 2.069 6.773 1.00 0.00 C ATOM 1067 O PHE A 66 2.406 2.508 5.859 1.00 0.00 O ATOM 1068 CB PHE A 66 -0.395 0.771 6.365 1.00 0.00 C ATOM 1069 CG PHE A 66 -0.675 1.037 4.915 1.00 0.00 C ATOM 1070 CD1 PHE A 66 -0.637 2.328 4.420 1.00 0.00 C ATOM 1071 CD2 PHE A 66 -0.966 -0.002 4.046 1.00 0.00 C ATOM 1072 CE1 PHE A 66 -0.887 2.581 3.087 1.00 0.00 C ATOM 1073 CE2 PHE A 66 -1.214 0.246 2.710 1.00 0.00 C ATOM 1074 CZ PHE A 66 -1.175 1.540 2.231 1.00 0.00 C ATOM 0 H PHE A 66 0.560 0.030 8.595 1.00 0.00 H new ATOM 0 HA PHE A 66 1.583 0.132 5.868 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -0.882 -0.159 6.658 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -0.837 1.566 6.966 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -0.409 3.148 5.085 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -0.999 -1.016 4.417 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -0.857 3.594 2.715 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -1.438 -0.572 2.041 1.00 0.00 H new ATOM 0 HZ PHE A 66 -1.370 1.736 1.187 1.00 0.00 H new ATOM 1084 N ASN A 67 1.450 2.761 7.884 1.00 0.00 N ATOM 1085 CA ASN A 67 2.010 4.093 8.085 1.00 0.00 C ATOM 1086 C ASN A 67 3.515 3.969 8.270 1.00 0.00 C ATOM 1087 O ASN A 67 4.266 4.935 8.110 1.00 0.00 O ATOM 1088 CB ASN A 67 1.380 4.795 9.294 1.00 0.00 C ATOM 1089 CG ASN A 67 0.957 3.845 10.385 1.00 0.00 C ATOM 1090 OD1 ASN A 67 1.788 3.387 11.169 1.00 0.00 O ATOM 1091 ND2 ASN A 67 -0.337 3.562 10.455 1.00 0.00 N ATOM 0 H ASN A 67 0.863 2.425 8.647 1.00 0.00 H new ATOM 0 HA ASN A 67 1.789 4.702 7.209 1.00 0.00 H new ATOM 0 HB2 ASN A 67 2.094 5.510 9.702 1.00 0.00 H new ATOM 0 HB3 ASN A 67 0.512 5.365 8.962 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -0.684 2.938 11.184 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -0.985 3.968 9.780 1.00 0.00 H new ATOM 1098 N ASN A 68 3.939 2.754 8.604 1.00 0.00 N ATOM 1099 CA ASN A 68 5.353 2.467 8.789 1.00 0.00 C ATOM 1100 C ASN A 68 6.039 2.459 7.430 1.00 0.00 C ATOM 1101 O ASN A 68 6.988 3.210 7.188 1.00 0.00 O ATOM 1102 CB ASN A 68 5.544 1.117 9.486 1.00 0.00 C ATOM 1103 CG ASN A 68 6.990 0.661 9.477 1.00 0.00 C ATOM 1104 OD1 ASN A 68 7.799 1.108 10.290 1.00 0.00 O ATOM 1105 ND2 ASN A 68 7.322 -0.235 8.556 1.00 0.00 N ATOM 0 H ASN A 68 3.323 1.955 8.751 1.00 0.00 H new ATOM 0 HA ASN A 68 5.796 3.237 9.420 1.00 0.00 H new ATOM 0 HB2 ASN A 68 5.196 1.191 10.516 1.00 0.00 H new ATOM 0 HB3 ASN A 68 4.926 0.366 8.993 1.00 0.00 H new ATOM 0 HD21 ASN A 68 8.280 -0.580 8.502 1.00 0.00 H new ATOM 0 HD22 ASN A 68 6.619 -0.578 7.902 1.00 0.00 H new ATOM 1112 N PHE A 69 5.546 1.597 6.546 1.00 0.00 N ATOM 1113 CA PHE A 69 6.077 1.497 5.193 1.00 0.00 C ATOM 1114 C PHE A 69 5.814 2.784 4.414 1.00 0.00 C ATOM 1115 O PHE A 69 6.572 3.142 3.513 1.00 0.00 O ATOM 1116 CB PHE A 69 5.450 0.310 4.462 1.00 0.00 C ATOM 1117 CG PHE A 69 6.301 -0.230 3.347 1.00 0.00 C ATOM 1118 CD1 PHE A 69 7.247 -1.212 3.595 1.00 0.00 C ATOM 1119 CD2 PHE A 69 6.155 0.243 2.054 1.00 0.00 C ATOM 1120 CE1 PHE A 69 8.032 -1.711 2.572 1.00 0.00 C ATOM 1121 CE2 PHE A 69 6.936 -0.251 1.027 1.00 0.00 C ATOM 1122 CZ PHE A 69 7.876 -1.229 1.286 1.00 0.00 C ATOM 0 H PHE A 69 4.777 0.956 6.744 1.00 0.00 H new ATOM 0 HA PHE A 69 7.154 1.344 5.261 1.00 0.00 H new ATOM 0 HB2 PHE A 69 5.258 -0.487 5.180 1.00 0.00 H new ATOM 0 HB3 PHE A 69 4.485 0.613 4.057 1.00 0.00 H new ATOM 0 HD1 PHE A 69 7.372 -1.592 4.598 1.00 0.00 H new ATOM 0 HD2 PHE A 69 5.421 1.008 1.846 1.00 0.00 H new ATOM 0 HE1 PHE A 69 8.766 -2.476 2.777 1.00 0.00 H new ATOM 0 HE2 PHE A 69 6.812 0.127 0.023 1.00 0.00 H new ATOM 0 HZ PHE A 69 8.488 -1.617 0.485 1.00 0.00 H new ATOM 1132 N LEU A 70 4.732 3.473 4.773 1.00 0.00 N ATOM 1133 CA LEU A 70 4.365 4.724 4.114 1.00 0.00 C ATOM 1134 C LEU A 70 5.413 5.798 4.377 1.00 0.00 C ATOM 1135 O LEU A 70 5.895 6.450 3.452 1.00 0.00 O ATOM 1136 CB LEU A 70 2.997 5.215 4.602 1.00 0.00 C ATOM 1137 CG LEU A 70 1.783 4.726 3.801 1.00 0.00 C ATOM 1138 CD1 LEU A 70 0.546 5.520 4.188 1.00 0.00 C ATOM 1139 CD2 LEU A 70 2.030 4.834 2.302 1.00 0.00 C ATOM 0 H LEU A 70 4.095 3.186 5.516 1.00 0.00 H new ATOM 0 HA LEU A 70 4.312 4.532 3.042 1.00 0.00 H new ATOM 0 HB2 LEU A 70 2.871 4.906 5.640 1.00 0.00 H new ATOM 0 HB3 LEU A 70 2.999 6.305 4.592 1.00 0.00 H new ATOM 0 HG LEU A 70 1.622 3.675 4.040 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.309 5.164 3.613 1.00 0.00 H new ATOM 0 HD12 LEU A 70 0.348 5.389 5.252 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.711 6.577 3.977 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.152 4.480 1.762 1.00 0.00 H new ATOM 0 HD22 LEU A 70 2.223 5.874 2.039 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.892 4.225 2.031 1.00 0.00 H new ATOM 1151 N LYS A 71 5.752 5.984 5.650 1.00 0.00 N ATOM 1152 CA LYS A 71 6.747 6.976 6.037 1.00 0.00 C ATOM 1153 C LYS A 71 8.045 6.757 5.269 1.00 0.00 C ATOM 1154 O LYS A 71 8.691 7.712 4.833 1.00 0.00 O ATOM 1155 CB LYS A 71 7.011 6.905 7.542 1.00 0.00 C ATOM 1156 CG LYS A 71 6.217 7.920 8.347 1.00 0.00 C ATOM 1157 CD LYS A 71 6.557 7.843 9.828 1.00 0.00 C ATOM 1158 CE LYS A 71 5.523 8.565 10.675 1.00 0.00 C ATOM 1159 NZ LYS A 71 5.743 8.341 12.131 1.00 0.00 N ATOM 0 H LYS A 71 5.352 5.461 6.429 1.00 0.00 H new ATOM 0 HA LYS A 71 6.359 7.965 5.793 1.00 0.00 H new ATOM 0 HB2 LYS A 71 6.771 5.903 7.898 1.00 0.00 H new ATOM 0 HB3 LYS A 71 8.074 7.061 7.724 1.00 0.00 H new ATOM 0 HG2 LYS A 71 6.425 8.924 7.976 1.00 0.00 H new ATOM 0 HG3 LYS A 71 5.151 7.743 8.207 1.00 0.00 H new ATOM 0 HD2 LYS A 71 6.615 6.799 10.135 1.00 0.00 H new ATOM 0 HD3 LYS A 71 7.540 8.281 10.000 1.00 0.00 H new ATOM 0 HE2 LYS A 71 5.561 9.633 10.462 1.00 0.00 H new ATOM 0 HE3 LYS A 71 4.525 8.221 10.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 5.017 8.850 12.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 5.681 7.324 12.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 6.685 8.692 12.398 1.00 0.00 H new ATOM 1173 N ALA A 72 8.420 5.491 5.106 1.00 0.00 N ATOM 1174 CA ALA A 72 9.644 5.148 4.385 1.00 0.00 C ATOM 1175 C ALA A 72 9.468 5.339 2.882 1.00 0.00 C ATOM 1176 O ALA A 72 10.347 5.876 2.201 1.00 0.00 O ATOM 1177 CB ALA A 72 10.052 3.716 4.693 1.00 0.00 C ATOM 0 H ALA A 72 7.898 4.690 5.461 1.00 0.00 H new ATOM 0 HA ALA A 72 10.435 5.820 4.719 1.00 0.00 H new ATOM 0 HB1 ALA A 72 10.965 3.473 4.150 1.00 0.00 H new ATOM 0 HB2 ALA A 72 10.228 3.610 5.764 1.00 0.00 H new ATOM 0 HB3 ALA A 72 9.256 3.037 4.387 1.00 0.00 H new ATOM 1183 N LEU A 73 8.324 4.896 2.370 1.00 0.00 N ATOM 1184 CA LEU A 73 8.021 5.013 0.950 1.00 0.00 C ATOM 1185 C LEU A 73 8.063 6.471 0.514 1.00 0.00 C ATOM 1186 O LEU A 73 8.589 6.794 -0.548 1.00 0.00 O ATOM 1187 CB LEU A 73 6.644 4.416 0.650 1.00 0.00 C ATOM 1188 CG LEU A 73 6.236 4.434 -0.824 1.00 0.00 C ATOM 1189 CD1 LEU A 73 6.889 3.284 -1.573 1.00 0.00 C ATOM 1190 CD2 LEU A 73 4.721 4.369 -0.956 1.00 0.00 C ATOM 0 H LEU A 73 7.590 4.451 2.921 1.00 0.00 H new ATOM 0 HA LEU A 73 8.775 4.459 0.391 1.00 0.00 H new ATOM 0 HB2 LEU A 73 6.628 3.385 1.003 1.00 0.00 H new ATOM 0 HB3 LEU A 73 5.896 4.962 1.225 1.00 0.00 H new ATOM 0 HG LEU A 73 6.580 5.369 -1.267 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.587 3.313 -2.620 1.00 0.00 H new ATOM 0 HD12 LEU A 73 7.973 3.375 -1.506 1.00 0.00 H new ATOM 0 HD13 LEU A 73 6.576 2.338 -1.131 1.00 0.00 H new ATOM 0 HD21 LEU A 73 4.447 4.383 -2.011 1.00 0.00 H new ATOM 0 HD22 LEU A 73 4.355 3.450 -0.498 1.00 0.00 H new ATOM 0 HD23 LEU A 73 4.275 5.228 -0.454 1.00 0.00 H new ATOM 1202 N GLN A 74 7.497 7.341 1.344 1.00 0.00 N ATOM 1203 CA GLN A 74 7.470 8.771 1.059 1.00 0.00 C ATOM 1204 C GLN A 74 8.883 9.318 0.900 1.00 0.00 C ATOM 1205 O GLN A 74 9.194 9.993 -0.084 1.00 0.00 O ATOM 1206 CB GLN A 74 6.745 9.523 2.176 1.00 0.00 C ATOM 1207 CG GLN A 74 6.420 10.966 1.825 1.00 0.00 C ATOM 1208 CD GLN A 74 7.350 11.954 2.499 1.00 0.00 C ATOM 1209 OE1 GLN A 74 7.785 11.743 3.631 1.00 0.00 O ATOM 1210 NE2 GLN A 74 7.659 13.044 1.805 1.00 0.00 N ATOM 0 H GLN A 74 7.049 7.079 2.222 1.00 0.00 H new ATOM 0 HA GLN A 74 6.932 8.919 0.123 1.00 0.00 H new ATOM 0 HB2 GLN A 74 5.820 8.999 2.415 1.00 0.00 H new ATOM 0 HB3 GLN A 74 7.362 9.506 3.074 1.00 0.00 H new ATOM 0 HG2 GLN A 74 6.480 11.095 0.744 1.00 0.00 H new ATOM 0 HG3 GLN A 74 5.392 11.184 2.115 1.00 0.00 H new ATOM 0 HE21 GLN A 74 7.276 13.179 0.869 1.00 0.00 H new ATOM 0 HE22 GLN A 74 8.280 13.746 2.208 1.00 0.00 H new ATOM 1219 N GLU A 75 9.733 9.034 1.880 1.00 0.00 N ATOM 1220 CA GLU A 75 11.117 9.497 1.844 1.00 0.00 C ATOM 1221 C GLU A 75 11.847 8.957 0.618 1.00 0.00 C ATOM 1222 O GLU A 75 12.808 9.564 0.138 1.00 0.00 O ATOM 1223 CB GLU A 75 11.850 9.069 3.117 1.00 0.00 C ATOM 1224 CG GLU A 75 11.989 10.184 4.142 1.00 0.00 C ATOM 1225 CD GLU A 75 12.830 9.775 5.336 1.00 0.00 C ATOM 1226 OE1 GLU A 75 12.345 8.965 6.153 1.00 0.00 O ATOM 1227 OE2 GLU A 75 13.972 10.266 5.454 1.00 0.00 O ATOM 0 H GLU A 75 9.491 8.488 2.707 1.00 0.00 H new ATOM 0 HA GLU A 75 11.106 10.585 1.783 1.00 0.00 H new ATOM 0 HB2 GLU A 75 11.316 8.234 3.571 1.00 0.00 H new ATOM 0 HB3 GLU A 75 12.843 8.706 2.850 1.00 0.00 H new ATOM 0 HG2 GLU A 75 12.439 11.056 3.667 1.00 0.00 H new ATOM 0 HG3 GLU A 75 10.999 10.483 4.485 1.00 0.00 H new ATOM 1234 N LYS A 76 11.382 7.819 0.111 1.00 0.00 N ATOM 1235 CA LYS A 76 11.998 7.192 -1.054 1.00 0.00 C ATOM 1236 C LYS A 76 11.498 7.834 -2.342 1.00 0.00 C ATOM 1237 O LYS A 76 12.289 8.255 -3.190 1.00 0.00 O ATOM 1238 CB LYS A 76 11.700 5.691 -1.069 1.00 0.00 C ATOM 1239 CG LYS A 76 12.768 4.852 -0.386 1.00 0.00 C ATOM 1240 CD LYS A 76 12.425 3.371 -0.430 1.00 0.00 C ATOM 1241 CE LYS A 76 13.403 2.547 0.392 1.00 0.00 C ATOM 1242 NZ LYS A 76 14.508 2.001 -0.443 1.00 0.00 N ATOM 0 H LYS A 76 10.581 7.312 0.488 1.00 0.00 H new ATOM 0 HA LYS A 76 13.076 7.340 -0.989 1.00 0.00 H new ATOM 0 HB2 LYS A 76 10.742 5.514 -0.579 1.00 0.00 H new ATOM 0 HB3 LYS A 76 11.595 5.360 -2.102 1.00 0.00 H new ATOM 0 HG2 LYS A 76 13.729 5.019 -0.872 1.00 0.00 H new ATOM 0 HG3 LYS A 76 12.875 5.171 0.651 1.00 0.00 H new ATOM 0 HD2 LYS A 76 11.414 3.220 -0.053 1.00 0.00 H new ATOM 0 HD3 LYS A 76 12.435 3.025 -1.464 1.00 0.00 H new ATOM 0 HE2 LYS A 76 13.820 3.165 1.187 1.00 0.00 H new ATOM 0 HE3 LYS A 76 12.871 1.726 0.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 15.153 1.446 0.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 14.112 1.390 -1.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 15.032 2.785 -0.882 1.00 0.00 H new ATOM 1256 N VAL A 77 10.179 7.910 -2.475 1.00 0.00 N ATOM 1257 CA VAL A 77 9.563 8.491 -3.659 1.00 0.00 C ATOM 1258 C VAL A 77 9.950 9.956 -3.807 1.00 0.00 C ATOM 1259 O VAL A 77 10.148 10.448 -4.919 1.00 0.00 O ATOM 1260 CB VAL A 77 8.027 8.373 -3.619 1.00 0.00 C ATOM 1261 CG1 VAL A 77 7.480 8.893 -2.302 1.00 0.00 C ATOM 1262 CG2 VAL A 77 7.405 9.119 -4.783 1.00 0.00 C ATOM 0 H VAL A 77 9.516 7.576 -1.776 1.00 0.00 H new ATOM 0 HA VAL A 77 9.932 7.929 -4.517 1.00 0.00 H new ATOM 0 HB VAL A 77 7.765 7.318 -3.705 1.00 0.00 H new ATOM 0 HG11 VAL A 77 6.394 8.800 -2.297 1.00 0.00 H new ATOM 0 HG12 VAL A 77 7.898 8.312 -1.480 1.00 0.00 H new ATOM 0 HG13 VAL A 77 7.755 9.941 -2.182 1.00 0.00 H new ATOM 0 HG21 VAL A 77 6.320 9.024 -4.738 1.00 0.00 H new ATOM 0 HG22 VAL A 77 7.680 10.172 -4.729 1.00 0.00 H new ATOM 0 HG23 VAL A 77 7.767 8.697 -5.721 1.00 0.00 H new ATOM 1272 N GLU A 78 10.056 10.650 -2.678 1.00 0.00 N ATOM 1273 CA GLU A 78 10.429 12.056 -2.686 1.00 0.00 C ATOM 1274 C GLU A 78 11.753 12.236 -3.410 1.00 0.00 C ATOM 1275 O GLU A 78 11.864 13.040 -4.335 1.00 0.00 O ATOM 1276 CB GLU A 78 10.536 12.592 -1.256 1.00 0.00 C ATOM 1277 CG GLU A 78 9.416 13.548 -0.882 1.00 0.00 C ATOM 1278 CD GLU A 78 9.841 14.567 0.158 1.00 0.00 C ATOM 1279 OE1 GLU A 78 10.298 14.151 1.244 1.00 0.00 O ATOM 1280 OE2 GLU A 78 9.719 15.780 -0.115 1.00 0.00 O ATOM 0 H GLU A 78 9.889 10.261 -1.750 1.00 0.00 H new ATOM 0 HA GLU A 78 9.656 12.618 -3.209 1.00 0.00 H new ATOM 0 HB2 GLU A 78 10.534 11.753 -0.561 1.00 0.00 H new ATOM 0 HB3 GLU A 78 11.492 13.101 -1.138 1.00 0.00 H new ATOM 0 HG2 GLU A 78 9.074 14.069 -1.777 1.00 0.00 H new ATOM 0 HG3 GLU A 78 8.569 12.978 -0.501 1.00 0.00 H new ATOM 1287 N ILE A 79 12.760 11.480 -2.981 1.00 0.00 N ATOM 1288 CA ILE A 79 14.077 11.550 -3.603 1.00 0.00 C ATOM 1289 C ILE A 79 14.001 11.154 -5.079 1.00 0.00 C ATOM 1290 O ILE A 79 13.766 11.999 -5.943 1.00 0.00 O ATOM 1291 CB ILE A 79 15.095 10.647 -2.874 1.00 0.00 C ATOM 1292 CG1 ILE A 79 15.184 11.030 -1.393 1.00 0.00 C ATOM 1293 CG2 ILE A 79 16.464 10.741 -3.536 1.00 0.00 C ATOM 1294 CD1 ILE A 79 15.678 12.443 -1.154 1.00 0.00 C ATOM 0 H ILE A 79 12.689 10.816 -2.210 1.00 0.00 H new ATOM 0 HA ILE A 79 14.417 12.583 -3.527 1.00 0.00 H new ATOM 0 HB ILE A 79 14.753 9.614 -2.943 1.00 0.00 H new ATOM 0 HG12 ILE A 79 14.200 10.918 -0.939 1.00 0.00 H new ATOM 0 HG13 ILE A 79 15.850 10.332 -0.886 1.00 0.00 H new ATOM 0 HG21 ILE A 79 17.168 10.098 -3.008 1.00 0.00 H new ATOM 0 HG22 ILE A 79 16.388 10.421 -4.575 1.00 0.00 H new ATOM 0 HG23 ILE A 79 16.816 11.772 -3.499 1.00 0.00 H new ATOM 0 HD11 ILE A 79 15.714 12.640 -0.082 1.00 0.00 H new ATOM 0 HD12 ILE A 79 16.676 12.556 -1.577 1.00 0.00 H new ATOM 0 HD13 ILE A 79 15.000 13.151 -1.630 1.00 0.00 H new ATOM 1306 N LYS A 80 14.203 9.870 -5.363 1.00 0.00 N ATOM 1307 CA LYS A 80 14.149 9.375 -6.734 1.00 0.00 C ATOM 1308 C LYS A 80 13.944 7.865 -6.761 1.00 0.00 C ATOM 1309 O LYS A 80 14.859 7.100 -6.455 1.00 0.00 O ATOM 1310 CB LYS A 80 15.434 9.740 -7.481 1.00 0.00 C ATOM 1311 CG LYS A 80 15.420 9.342 -8.948 1.00 0.00 C ATOM 1312 CD LYS A 80 16.050 10.415 -9.821 1.00 0.00 C ATOM 1313 CE LYS A 80 15.247 10.640 -11.092 1.00 0.00 C ATOM 1314 NZ LYS A 80 16.097 11.150 -12.203 1.00 0.00 N ATOM 0 H LYS A 80 14.405 9.156 -4.663 1.00 0.00 H new ATOM 0 HA LYS A 80 13.301 9.847 -7.230 1.00 0.00 H new ATOM 0 HB2 LYS A 80 15.594 10.816 -7.407 1.00 0.00 H new ATOM 0 HB3 LYS A 80 16.279 9.257 -6.990 1.00 0.00 H new ATOM 0 HG2 LYS A 80 15.959 8.403 -9.077 1.00 0.00 H new ATOM 0 HG3 LYS A 80 14.393 9.166 -9.269 1.00 0.00 H new ATOM 0 HD2 LYS A 80 16.117 11.348 -9.262 1.00 0.00 H new ATOM 0 HD3 LYS A 80 17.068 10.124 -10.079 1.00 0.00 H new ATOM 0 HE2 LYS A 80 14.777 9.704 -11.395 1.00 0.00 H new ATOM 0 HE3 LYS A 80 14.444 11.350 -10.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 15.512 11.290 -13.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 16.526 12.056 -11.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 16.848 10.461 -12.410 1.00 0.00 H new ATOM 1328 N GLN A 81 12.738 7.442 -7.130 1.00 0.00 N ATOM 1329 CA GLN A 81 12.414 6.021 -7.197 1.00 0.00 C ATOM 1330 C GLN A 81 11.069 5.797 -7.881 1.00 0.00 C ATOM 1331 O GLN A 81 11.004 5.254 -8.984 1.00 0.00 O ATOM 1332 CB GLN A 81 12.390 5.415 -5.793 1.00 0.00 C ATOM 1333 CG GLN A 81 13.527 4.443 -5.531 1.00 0.00 C ATOM 1334 CD GLN A 81 13.534 3.922 -4.107 1.00 0.00 C ATOM 1335 OE1 GLN A 81 12.817 2.980 -3.775 1.00 0.00 O ATOM 1336 NE2 GLN A 81 14.349 4.536 -3.257 1.00 0.00 N ATOM 0 H GLN A 81 11.970 8.062 -7.387 1.00 0.00 H new ATOM 0 HA GLN A 81 13.187 5.528 -7.787 1.00 0.00 H new ATOM 0 HB2 GLN A 81 12.434 6.219 -5.058 1.00 0.00 H new ATOM 0 HB3 GLN A 81 11.441 4.900 -5.645 1.00 0.00 H new ATOM 0 HG2 GLN A 81 13.448 3.603 -6.221 1.00 0.00 H new ATOM 0 HG3 GLN A 81 14.477 4.937 -5.738 1.00 0.00 H new ATOM 0 HE21 GLN A 81 14.927 5.314 -3.576 1.00 0.00 H new ATOM 0 HE22 GLN A 81 14.397 4.230 -2.285 1.00 0.00 H new ATOM 1345 N LEU A 82 9.995 6.218 -7.217 1.00 0.00 N ATOM 1346 CA LEU A 82 8.650 6.058 -7.757 1.00 0.00 C ATOM 1347 C LEU A 82 7.867 7.365 -7.671 1.00 0.00 C ATOM 1348 O LEU A 82 6.782 7.413 -7.089 1.00 0.00 O ATOM 1349 CB LEU A 82 7.908 4.952 -7.004 1.00 0.00 C ATOM 1350 CG LEU A 82 8.207 4.877 -5.505 1.00 0.00 C ATOM 1351 CD1 LEU A 82 6.917 4.917 -4.699 1.00 0.00 C ATOM 1352 CD2 LEU A 82 8.999 3.619 -5.185 1.00 0.00 C ATOM 0 H LEU A 82 10.031 6.672 -6.304 1.00 0.00 H new ATOM 0 HA LEU A 82 8.737 5.780 -8.807 1.00 0.00 H new ATOM 0 HB2 LEU A 82 6.836 5.098 -7.139 1.00 0.00 H new ATOM 0 HB3 LEU A 82 8.159 3.993 -7.458 1.00 0.00 H new ATOM 0 HG LEU A 82 8.809 5.743 -5.229 1.00 0.00 H new ATOM 0 HD11 LEU A 82 7.150 4.863 -3.636 1.00 0.00 H new ATOM 0 HD12 LEU A 82 6.387 5.846 -4.907 1.00 0.00 H new ATOM 0 HD13 LEU A 82 6.288 4.071 -4.976 1.00 0.00 H new ATOM 0 HD21 LEU A 82 9.204 3.580 -4.115 1.00 0.00 H new ATOM 0 HD22 LEU A 82 8.421 2.742 -5.476 1.00 0.00 H new ATOM 0 HD23 LEU A 82 9.940 3.632 -5.734 1.00 0.00 H new ATOM 1364 N ASN A 83 8.418 8.420 -8.263 1.00 0.00 N ATOM 1365 CA ASN A 83 7.776 9.730 -8.252 1.00 0.00 C ATOM 1366 C ASN A 83 6.385 9.664 -8.879 1.00 0.00 C ATOM 1367 O ASN A 83 5.484 10.417 -8.503 1.00 0.00 O ATOM 1368 CB ASN A 83 8.644 10.750 -8.996 1.00 0.00 C ATOM 1369 CG ASN A 83 8.125 11.058 -10.388 1.00 0.00 C ATOM 1370 OD1 ASN A 83 8.187 10.218 -11.286 1.00 0.00 O ATOM 1371 ND2 ASN A 83 7.611 12.268 -10.573 1.00 0.00 N ATOM 0 H ASN A 83 9.310 8.393 -8.757 1.00 0.00 H new ATOM 0 HA ASN A 83 7.666 10.046 -7.215 1.00 0.00 H new ATOM 0 HB2 ASN A 83 8.689 11.673 -8.417 1.00 0.00 H new ATOM 0 HB3 ASN A 83 9.663 10.369 -9.069 1.00 0.00 H new ATOM 0 HD21 ASN A 83 7.247 12.533 -11.488 1.00 0.00 H new ATOM 0 HD22 ASN A 83 7.580 12.933 -9.800 1.00 0.00 H new ATOM 1378 N HIS A 84 6.216 8.757 -9.834 1.00 0.00 N ATOM 1379 CA HIS A 84 4.936 8.590 -10.513 1.00 0.00 C ATOM 1380 C HIS A 84 3.906 7.956 -9.584 1.00 0.00 C ATOM 1381 O HIS A 84 2.727 8.308 -9.619 1.00 0.00 O ATOM 1382 CB HIS A 84 5.100 7.735 -11.774 1.00 0.00 C ATOM 1383 CG HIS A 84 6.167 6.689 -11.662 1.00 0.00 C ATOM 1384 ND1 HIS A 84 7.512 6.987 -11.615 1.00 0.00 N ATOM 1385 CD2 HIS A 84 6.081 5.339 -11.587 1.00 0.00 C ATOM 1386 CE1 HIS A 84 8.207 5.868 -11.518 1.00 0.00 C ATOM 1387 NE2 HIS A 84 7.362 4.854 -11.498 1.00 0.00 N ATOM 0 H HIS A 84 6.949 8.126 -10.156 1.00 0.00 H new ATOM 0 HA HIS A 84 4.580 9.579 -10.803 1.00 0.00 H new ATOM 0 HB2 HIS A 84 4.150 7.249 -11.998 1.00 0.00 H new ATOM 0 HB3 HIS A 84 5.331 8.387 -12.616 1.00 0.00 H new ATOM 0 HD2 HIS A 84 5.174 4.753 -11.596 1.00 0.00 H new ATOM 0 HE1 HIS A 84 9.283 5.795 -11.464 1.00 0.00 H new ATOM 0 HE2 HIS A 84 7.619 3.869 -11.428 1.00 0.00 H new ATOM 1396 N PHE A 85 4.359 7.024 -8.750 1.00 0.00 N ATOM 1397 CA PHE A 85 3.476 6.337 -7.813 1.00 0.00 C ATOM 1398 C PHE A 85 2.723 7.335 -6.940 1.00 0.00 C ATOM 1399 O PHE A 85 1.505 7.246 -6.794 1.00 0.00 O ATOM 1400 CB PHE A 85 4.280 5.379 -6.927 1.00 0.00 C ATOM 1401 CG PHE A 85 3.483 4.209 -6.416 1.00 0.00 C ATOM 1402 CD1 PHE A 85 3.079 3.202 -7.276 1.00 0.00 C ATOM 1403 CD2 PHE A 85 3.143 4.115 -5.074 1.00 0.00 C ATOM 1404 CE1 PHE A 85 2.351 2.124 -6.811 1.00 0.00 C ATOM 1405 CE2 PHE A 85 2.413 3.037 -4.602 1.00 0.00 C ATOM 1406 CZ PHE A 85 2.017 2.041 -5.473 1.00 0.00 C ATOM 0 H PHE A 85 5.334 6.727 -8.704 1.00 0.00 H new ATOM 0 HA PHE A 85 2.751 5.766 -8.393 1.00 0.00 H new ATOM 0 HB2 PHE A 85 5.133 5.006 -7.493 1.00 0.00 H new ATOM 0 HB3 PHE A 85 4.679 5.933 -6.078 1.00 0.00 H new ATOM 0 HD1 PHE A 85 3.336 3.260 -8.323 1.00 0.00 H new ATOM 0 HD2 PHE A 85 3.451 4.892 -4.390 1.00 0.00 H new ATOM 0 HE1 PHE A 85 2.043 1.346 -7.494 1.00 0.00 H new ATOM 0 HE2 PHE A 85 2.154 2.975 -3.555 1.00 0.00 H new ATOM 0 HZ PHE A 85 1.447 1.199 -5.109 1.00 0.00 H new ATOM 1416 N TRP A 86 3.456 8.291 -6.374 1.00 0.00 N ATOM 1417 CA TRP A 86 2.867 9.299 -5.508 1.00 0.00 C ATOM 1418 C TRP A 86 1.739 10.046 -6.213 1.00 0.00 C ATOM 1419 O TRP A 86 0.661 10.231 -5.648 1.00 0.00 O ATOM 1420 CB TRP A 86 3.948 10.276 -5.055 1.00 0.00 C ATOM 1421 CG TRP A 86 3.593 11.024 -3.814 1.00 0.00 C ATOM 1422 CD1 TRP A 86 3.604 12.374 -3.655 1.00 0.00 C ATOM 1423 CD2 TRP A 86 3.178 10.472 -2.559 1.00 0.00 C ATOM 1424 NE1 TRP A 86 3.221 12.703 -2.377 1.00 0.00 N ATOM 1425 CE2 TRP A 86 2.954 11.551 -1.684 1.00 0.00 C ATOM 1426 CE3 TRP A 86 2.974 9.170 -2.090 1.00 0.00 C ATOM 1427 CZ2 TRP A 86 2.536 11.368 -0.368 1.00 0.00 C ATOM 1428 CZ3 TRP A 86 2.559 8.991 -0.785 1.00 0.00 C ATOM 1429 CH2 TRP A 86 2.343 10.083 0.063 1.00 0.00 C ATOM 0 H TRP A 86 4.463 8.385 -6.503 1.00 0.00 H new ATOM 0 HA TRP A 86 2.439 8.800 -4.638 1.00 0.00 H new ATOM 0 HB2 TRP A 86 4.875 9.727 -4.886 1.00 0.00 H new ATOM 0 HB3 TRP A 86 4.141 10.989 -5.857 1.00 0.00 H new ATOM 0 HD1 TRP A 86 3.874 13.085 -4.422 1.00 0.00 H new ATOM 0 HE1 TRP A 86 3.147 13.650 -2.005 1.00 0.00 H new ATOM 0 HE3 TRP A 86 3.138 8.321 -2.736 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 2.370 12.209 0.289 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 2.398 7.990 -0.412 1.00 0.00 H new ATOM 0 HH2 TRP A 86 2.017 9.909 1.078 1.00 0.00 H new ATOM 1440 N GLU A 87 1.992 10.478 -7.445 1.00 0.00 N ATOM 1441 CA GLU A 87 0.987 11.197 -8.218 1.00 0.00 C ATOM 1442 C GLU A 87 -0.212 10.296 -8.496 1.00 0.00 C ATOM 1443 O GLU A 87 -1.357 10.750 -8.502 1.00 0.00 O ATOM 1444 CB GLU A 87 1.583 11.699 -9.535 1.00 0.00 C ATOM 1445 CG GLU A 87 2.475 12.919 -9.372 1.00 0.00 C ATOM 1446 CD GLU A 87 3.180 13.302 -10.659 1.00 0.00 C ATOM 1447 OE1 GLU A 87 4.288 12.781 -10.906 1.00 0.00 O ATOM 1448 OE2 GLU A 87 2.624 14.123 -11.419 1.00 0.00 O ATOM 0 H GLU A 87 2.881 10.343 -7.927 1.00 0.00 H new ATOM 0 HA GLU A 87 0.654 12.056 -7.636 1.00 0.00 H new ATOM 0 HB2 GLU A 87 2.160 10.896 -9.993 1.00 0.00 H new ATOM 0 HB3 GLU A 87 0.772 11.941 -10.222 1.00 0.00 H new ATOM 0 HG2 GLU A 87 1.874 13.760 -9.027 1.00 0.00 H new ATOM 0 HG3 GLU A 87 3.218 12.720 -8.600 1.00 0.00 H new ATOM 1455 N ILE A 88 0.064 9.017 -8.728 1.00 0.00 N ATOM 1456 CA ILE A 88 -0.985 8.038 -8.994 1.00 0.00 C ATOM 1457 C ILE A 88 -1.671 7.624 -7.695 1.00 0.00 C ATOM 1458 O ILE A 88 -2.780 7.088 -7.700 1.00 0.00 O ATOM 1459 CB ILE A 88 -0.438 6.787 -9.713 1.00 0.00 C ATOM 1460 CG1 ILE A 88 0.356 7.190 -10.956 1.00 0.00 C ATOM 1461 CG2 ILE A 88 -1.579 5.856 -10.094 1.00 0.00 C ATOM 1462 CD1 ILE A 88 1.394 6.169 -11.367 1.00 0.00 C ATOM 0 H ILE A 88 1.009 8.633 -8.737 1.00 0.00 H new ATOM 0 HA ILE A 88 -1.710 8.516 -9.653 1.00 0.00 H new ATOM 0 HB ILE A 88 0.230 6.260 -9.032 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -0.335 7.347 -11.784 1.00 0.00 H new ATOM 0 HG13 ILE A 88 0.850 8.143 -10.768 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -1.178 4.978 -10.600 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -2.111 5.545 -9.195 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -2.267 6.377 -10.760 1.00 0.00 H new ATOM 0 HD11 ILE A 88 1.919 6.521 -12.255 1.00 0.00 H new ATOM 0 HD12 ILE A 88 2.108 6.029 -10.555 1.00 0.00 H new ATOM 0 HD13 ILE A 88 0.904 5.220 -11.587 1.00 0.00 H new ATOM 1474 N VAL A 89 -0.997 7.892 -6.581 1.00 0.00 N ATOM 1475 CA VAL A 89 -1.519 7.542 -5.265 1.00 0.00 C ATOM 1476 C VAL A 89 -2.460 8.636 -4.771 1.00 0.00 C ATOM 1477 O VAL A 89 -3.471 8.358 -4.127 1.00 0.00 O ATOM 1478 CB VAL A 89 -0.387 7.327 -4.237 1.00 0.00 C ATOM 1479 CG1 VAL A 89 -0.921 7.413 -2.814 1.00 0.00 C ATOM 1480 CG2 VAL A 89 0.294 5.987 -4.469 1.00 0.00 C ATOM 0 H VAL A 89 -0.086 8.351 -6.564 1.00 0.00 H new ATOM 0 HA VAL A 89 -2.063 6.603 -5.365 1.00 0.00 H new ATOM 0 HB VAL A 89 0.349 8.120 -4.372 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -0.104 7.258 -2.109 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.361 8.397 -2.649 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.681 6.646 -2.663 1.00 0.00 H new ATOM 0 HG21 VAL A 89 1.089 5.851 -3.736 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -0.436 5.185 -4.365 1.00 0.00 H new ATOM 0 HG23 VAL A 89 0.718 5.963 -5.473 1.00 0.00 H new ATOM 1490 N VAL A 90 -2.119 9.881 -5.088 1.00 0.00 N ATOM 1491 CA VAL A 90 -2.936 11.019 -4.695 1.00 0.00 C ATOM 1492 C VAL A 90 -4.102 11.189 -5.661 1.00 0.00 C ATOM 1493 O VAL A 90 -5.217 11.521 -5.256 1.00 0.00 O ATOM 1494 CB VAL A 90 -2.108 12.322 -4.648 1.00 0.00 C ATOM 1495 CG1 VAL A 90 -1.647 12.726 -6.041 1.00 0.00 C ATOM 1496 CG2 VAL A 90 -2.908 13.442 -3.999 1.00 0.00 C ATOM 0 H VAL A 90 -1.281 10.125 -5.616 1.00 0.00 H new ATOM 0 HA VAL A 90 -3.317 10.821 -3.693 1.00 0.00 H new ATOM 0 HB VAL A 90 -1.221 12.138 -4.041 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -1.066 13.646 -5.979 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -1.028 11.934 -6.463 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -2.516 12.887 -6.679 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -2.308 14.351 -3.975 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -3.816 13.622 -4.575 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -3.174 13.156 -2.981 1.00 0.00 H new ATOM 1506 N GLN A 91 -3.829 10.959 -6.943 1.00 0.00 N ATOM 1507 CA GLN A 91 -4.852 11.069 -7.976 1.00 0.00 C ATOM 1508 C GLN A 91 -5.999 10.105 -7.698 1.00 0.00 C ATOM 1509 O GLN A 91 -7.169 10.476 -7.788 1.00 0.00 O ATOM 1510 CB GLN A 91 -4.253 10.785 -9.355 1.00 0.00 C ATOM 1511 CG GLN A 91 -3.774 12.033 -10.078 1.00 0.00 C ATOM 1512 CD GLN A 91 -3.240 11.735 -11.465 1.00 0.00 C ATOM 1513 OE1 GLN A 91 -2.072 11.387 -11.633 1.00 0.00 O ATOM 1514 NE2 GLN A 91 -4.098 11.870 -12.471 1.00 0.00 N ATOM 0 H GLN A 91 -2.907 10.695 -7.290 1.00 0.00 H new ATOM 0 HA GLN A 91 -5.240 12.088 -7.964 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -3.416 10.096 -9.244 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -5.000 10.283 -9.970 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -4.598 12.743 -10.155 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -2.994 12.513 -9.488 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -5.058 12.161 -12.287 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -3.796 11.683 -13.427 1.00 0.00 H new ATOM 1523 N ASP A 92 -5.655 8.864 -7.361 1.00 0.00 N ATOM 1524 CA ASP A 92 -6.657 7.844 -7.061 1.00 0.00 C ATOM 1525 C ASP A 92 -7.526 8.249 -5.872 1.00 0.00 C ATOM 1526 O ASP A 92 -8.472 7.545 -5.517 1.00 0.00 O ATOM 1527 CB ASP A 92 -5.977 6.503 -6.775 1.00 0.00 C ATOM 1528 CG ASP A 92 -5.982 5.584 -7.980 1.00 0.00 C ATOM 1529 OD1 ASP A 92 -5.087 5.729 -8.840 1.00 0.00 O ATOM 1530 OD2 ASP A 92 -6.879 4.719 -8.064 1.00 0.00 O ATOM 0 H ASP A 92 -4.690 8.541 -7.289 1.00 0.00 H new ATOM 0 HA ASP A 92 -7.302 7.744 -7.934 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -4.948 6.680 -6.461 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -6.484 6.012 -5.945 1.00 0.00 H new ATOM 1535 N GLY A 93 -7.202 9.385 -5.260 1.00 0.00 N ATOM 1536 CA GLY A 93 -7.969 9.863 -4.125 1.00 0.00 C ATOM 1537 C GLY A 93 -7.507 9.272 -2.808 1.00 0.00 C ATOM 1538 O GLY A 93 -7.655 9.901 -1.761 1.00 0.00 O ATOM 0 H GLY A 93 -6.421 9.983 -5.531 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -7.896 10.949 -4.075 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -9.021 9.621 -4.276 1.00 0.00 H new ATOM 1542 N ILE A 94 -6.954 8.062 -2.853 1.00 0.00 N ATOM 1543 CA ILE A 94 -6.477 7.403 -1.641 1.00 0.00 C ATOM 1544 C ILE A 94 -5.484 8.291 -0.899 1.00 0.00 C ATOM 1545 O ILE A 94 -4.580 8.867 -1.504 1.00 0.00 O ATOM 1546 CB ILE A 94 -5.806 6.045 -1.942 1.00 0.00 C ATOM 1547 CG1 ILE A 94 -5.289 5.999 -3.381 1.00 0.00 C ATOM 1548 CG2 ILE A 94 -6.783 4.905 -1.690 1.00 0.00 C ATOM 1549 CD1 ILE A 94 -3.964 5.282 -3.522 1.00 0.00 C ATOM 0 H ILE A 94 -6.826 7.522 -3.709 1.00 0.00 H new ATOM 0 HA ILE A 94 -7.354 7.225 -1.019 1.00 0.00 H new ATOM 0 HB ILE A 94 -4.954 5.929 -1.272 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -6.030 5.505 -4.009 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -5.184 7.018 -3.754 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -6.296 3.954 -1.906 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -7.100 4.921 -0.647 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -7.653 5.022 -2.336 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -3.657 5.287 -4.568 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -3.210 5.789 -2.920 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -4.069 4.252 -3.180 1.00 0.00 H new ATOM 1561 N THR A 95 -5.659 8.395 0.414 1.00 0.00 N ATOM 1562 CA THR A 95 -4.781 9.217 1.236 1.00 0.00 C ATOM 1563 C THR A 95 -4.195 8.413 2.388 1.00 0.00 C ATOM 1564 O THR A 95 -4.632 7.294 2.663 1.00 0.00 O ATOM 1565 CB THR A 95 -5.521 10.441 1.811 1.00 0.00 C ATOM 1566 OG1 THR A 95 -6.127 10.103 3.064 1.00 0.00 O ATOM 1567 CG2 THR A 95 -6.588 10.937 0.846 1.00 0.00 C ATOM 0 H THR A 95 -6.400 7.921 0.930 1.00 0.00 H new ATOM 0 HA THR A 95 -3.977 9.561 0.585 1.00 0.00 H new ATOM 0 HB THR A 95 -4.792 11.238 1.961 1.00 0.00 H new ATOM 0 HG1 THR A 95 -6.594 10.886 3.423 1.00 0.00 H new ATOM 0 HG21 THR A 95 -7.095 11.801 1.276 1.00 0.00 H new ATOM 0 HG22 THR A 95 -6.121 11.222 -0.097 1.00 0.00 H new ATOM 0 HG23 THR A 95 -7.313 10.143 0.666 1.00 0.00 H new ATOM 1575 N LEU A 96 -3.200 8.991 3.050 1.00 0.00 N ATOM 1576 CA LEU A 96 -2.546 8.342 4.180 1.00 0.00 C ATOM 1577 C LEU A 96 -3.564 7.871 5.211 1.00 0.00 C ATOM 1578 O LEU A 96 -4.745 8.214 5.142 1.00 0.00 O ATOM 1579 CB LEU A 96 -1.555 9.308 4.839 1.00 0.00 C ATOM 1580 CG LEU A 96 -0.158 9.388 4.204 1.00 0.00 C ATOM 1581 CD1 LEU A 96 0.862 8.676 5.077 1.00 0.00 C ATOM 1582 CD2 LEU A 96 -0.150 8.811 2.793 1.00 0.00 C ATOM 0 H LEU A 96 -2.827 9.913 2.822 1.00 0.00 H new ATOM 0 HA LEU A 96 -2.011 7.470 3.803 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -1.993 10.306 4.830 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -1.440 9.020 5.884 1.00 0.00 H new ATOM 0 HG LEU A 96 0.115 10.441 4.131 1.00 0.00 H new ATOM 0 HD11 LEU A 96 1.846 8.742 4.614 1.00 0.00 H new ATOM 0 HD12 LEU A 96 0.891 9.147 6.060 1.00 0.00 H new ATOM 0 HD13 LEU A 96 0.581 7.628 5.185 1.00 0.00 H new ATOM 0 HD21 LEU A 96 0.854 8.885 2.376 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -0.454 7.765 2.826 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -0.845 9.371 2.167 1.00 0.00 H new ATOM 1594 N ILE A 97 -3.092 7.087 6.171 1.00 0.00 N ATOM 1595 CA ILE A 97 -3.949 6.564 7.224 1.00 0.00 C ATOM 1596 C ILE A 97 -4.343 7.676 8.194 1.00 0.00 C ATOM 1597 O ILE A 97 -3.484 8.298 8.818 1.00 0.00 O ATOM 1598 CB ILE A 97 -3.239 5.420 7.983 1.00 0.00 C ATOM 1599 CG1 ILE A 97 -3.588 4.069 7.351 1.00 0.00 C ATOM 1600 CG2 ILE A 97 -3.602 5.431 9.463 1.00 0.00 C ATOM 1601 CD1 ILE A 97 -3.088 3.915 5.926 1.00 0.00 C ATOM 0 H ILE A 97 -2.116 6.799 6.241 1.00 0.00 H new ATOM 0 HA ILE A 97 -4.853 6.166 6.764 1.00 0.00 H new ATOM 0 HB ILE A 97 -2.163 5.576 7.904 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -3.166 3.272 7.963 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -4.670 3.941 7.363 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -3.087 4.615 9.970 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -3.300 6.381 9.905 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -4.679 5.305 9.574 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -3.372 2.934 5.545 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -3.530 4.690 5.300 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -2.002 4.010 5.909 1.00 0.00 H new ATOM 1613 N THR A 98 -5.644 7.934 8.305 1.00 0.00 N ATOM 1614 CA THR A 98 -6.139 8.980 9.194 1.00 0.00 C ATOM 1615 C THR A 98 -6.767 8.406 10.462 1.00 0.00 C ATOM 1616 O THR A 98 -7.320 7.309 10.453 1.00 0.00 O ATOM 1617 CB THR A 98 -7.175 9.873 8.486 1.00 0.00 C ATOM 1618 OG1 THR A 98 -7.053 9.732 7.065 1.00 0.00 O ATOM 1619 CG2 THR A 98 -6.986 11.331 8.873 1.00 0.00 C ATOM 0 H THR A 98 -6.371 7.435 7.792 1.00 0.00 H new ATOM 0 HA THR A 98 -5.271 9.578 9.472 1.00 0.00 H new ATOM 0 HB THR A 98 -8.170 9.556 8.799 1.00 0.00 H new ATOM 0 HG1 THR A 98 -7.716 10.302 6.622 1.00 0.00 H new ATOM 0 HG21 THR A 98 -7.729 11.943 8.361 1.00 0.00 H new ATOM 0 HG22 THR A 98 -7.107 11.440 9.951 1.00 0.00 H new ATOM 0 HG23 THR A 98 -5.987 11.657 8.585 1.00 0.00 H new ATOM 1627 N LYS A 99 -6.639 9.163 11.551 1.00 0.00 N ATOM 1628 CA LYS A 99 -7.184 8.795 12.860 1.00 0.00 C ATOM 1629 C LYS A 99 -8.392 7.858 12.774 1.00 0.00 C ATOM 1630 O LYS A 99 -8.245 6.636 12.807 1.00 0.00 O ATOM 1631 CB LYS A 99 -7.570 10.059 13.631 1.00 0.00 C ATOM 1632 CG LYS A 99 -7.265 9.984 15.116 1.00 0.00 C ATOM 1633 CD LYS A 99 -7.569 11.300 15.814 1.00 0.00 C ATOM 1634 CE LYS A 99 -7.751 11.107 17.311 1.00 0.00 C ATOM 1635 NZ LYS A 99 -8.079 12.385 18.000 1.00 0.00 N ATOM 0 H LYS A 99 -6.150 10.058 11.551 1.00 0.00 H new ATOM 0 HA LYS A 99 -6.399 8.249 13.383 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -7.041 10.911 13.203 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -8.636 10.245 13.497 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -7.853 9.186 15.569 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -6.215 9.728 15.261 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -6.758 12.005 15.633 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -8.473 11.738 15.390 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -8.547 10.384 17.490 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -6.839 10.689 17.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -8.195 12.210 19.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -7.308 13.067 17.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -8.963 12.772 17.612 1.00 0.00 H new ATOM 1649 N GLU A 100 -9.585 8.440 12.667 1.00 0.00 N ATOM 1650 CA GLU A 100 -10.820 7.662 12.617 1.00 0.00 C ATOM 1651 C GLU A 100 -10.939 6.833 11.340 1.00 0.00 C ATOM 1652 O GLU A 100 -11.860 6.026 11.207 1.00 0.00 O ATOM 1653 CB GLU A 100 -12.032 8.585 12.765 1.00 0.00 C ATOM 1654 CG GLU A 100 -12.598 9.079 11.441 1.00 0.00 C ATOM 1655 CD GLU A 100 -13.543 10.252 11.613 1.00 0.00 C ATOM 1656 OE1 GLU A 100 -13.107 11.292 12.150 1.00 0.00 O ATOM 1657 OE2 GLU A 100 -14.720 10.130 11.212 1.00 0.00 O ATOM 0 H GLU A 100 -9.722 9.449 12.613 1.00 0.00 H new ATOM 0 HA GLU A 100 -10.791 6.961 13.451 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -12.815 8.056 13.308 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -11.749 9.445 13.371 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -11.777 9.371 10.786 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -13.125 8.262 10.948 1.00 0.00 H new ATOM 1664 N GLU A 101 -10.019 7.030 10.403 1.00 0.00 N ATOM 1665 CA GLU A 101 -10.040 6.276 9.151 1.00 0.00 C ATOM 1666 C GLU A 101 -9.719 4.799 9.388 1.00 0.00 C ATOM 1667 O GLU A 101 -9.421 4.061 8.450 1.00 0.00 O ATOM 1668 CB GLU A 101 -9.051 6.872 8.148 1.00 0.00 C ATOM 1669 CG GLU A 101 -9.529 6.802 6.707 1.00 0.00 C ATOM 1670 CD GLU A 101 -10.690 7.737 6.433 1.00 0.00 C ATOM 1671 OE1 GLU A 101 -11.848 7.333 6.674 1.00 0.00 O ATOM 1672 OE2 GLU A 101 -10.443 8.873 5.975 1.00 0.00 O ATOM 0 H GLU A 101 -9.254 7.700 10.483 1.00 0.00 H new ATOM 0 HA GLU A 101 -11.047 6.345 8.740 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -8.864 7.913 8.410 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -8.100 6.347 8.232 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -8.702 7.050 6.041 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -9.828 5.780 6.476 1.00 0.00 H new ATOM 1679 N ALA A 102 -9.781 4.378 10.649 1.00 0.00 N ATOM 1680 CA ALA A 102 -9.506 2.995 11.015 1.00 0.00 C ATOM 1681 C ALA A 102 -10.637 2.422 11.864 1.00 0.00 C ATOM 1682 O ALA A 102 -11.277 1.441 11.483 1.00 0.00 O ATOM 1683 CB ALA A 102 -8.182 2.898 11.759 1.00 0.00 C ATOM 0 H ALA A 102 -10.021 4.980 11.437 1.00 0.00 H new ATOM 0 HA ALA A 102 -9.437 2.407 10.100 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -7.990 1.859 12.026 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -7.378 3.263 11.120 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -8.228 3.503 12.665 1.00 0.00 H new ATOM 1689 N SER A 103 -10.879 3.048 13.015 1.00 0.00 N ATOM 1690 CA SER A 103 -11.932 2.609 13.929 1.00 0.00 C ATOM 1691 C SER A 103 -11.981 3.503 15.165 1.00 0.00 C ATOM 1692 O SER A 103 -13.052 3.931 15.596 1.00 0.00 O ATOM 1693 CB SER A 103 -11.704 1.157 14.352 1.00 0.00 C ATOM 1694 OG SER A 103 -12.779 0.330 13.941 1.00 0.00 O ATOM 0 H SER A 103 -10.358 3.864 13.337 1.00 0.00 H new ATOM 0 HA SER A 103 -12.885 2.681 13.404 1.00 0.00 H new ATOM 0 HB2 SER A 103 -10.773 0.791 13.919 1.00 0.00 H new ATOM 0 HB3 SER A 103 -11.594 1.104 15.435 1.00 0.00 H new ATOM 0 HG SER A 103 -12.608 -0.593 14.222 1.00 0.00 H new ATOM 1700 N GLY A 104 -10.808 3.778 15.727 1.00 0.00 N ATOM 1701 CA GLY A 104 -10.719 4.616 16.910 1.00 0.00 C ATOM 1702 C GLY A 104 -9.295 4.724 17.416 1.00 0.00 C ATOM 1703 O GLY A 104 -9.038 4.596 18.613 1.00 0.00 O ATOM 0 H GLY A 104 -9.912 3.433 15.382 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -11.100 5.611 16.680 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -11.354 4.205 17.695 1.00 0.00 H new ATOM 1707 N SER A 105 -8.370 4.962 16.493 1.00 0.00 N ATOM 1708 CA SER A 105 -6.956 5.076 16.836 1.00 0.00 C ATOM 1709 C SER A 105 -6.400 6.431 16.470 1.00 0.00 C ATOM 1710 O SER A 105 -6.640 6.945 15.377 1.00 0.00 O ATOM 1711 CB SER A 105 -6.148 3.973 16.149 1.00 0.00 C ATOM 1712 OG SER A 105 -4.952 3.701 16.858 1.00 0.00 O ATOM 0 H SER A 105 -8.573 5.080 15.500 1.00 0.00 H new ATOM 0 HA SER A 105 -6.871 4.961 17.917 1.00 0.00 H new ATOM 0 HB2 SER A 105 -6.749 3.066 16.081 1.00 0.00 H new ATOM 0 HB3 SER A 105 -5.909 4.274 15.129 1.00 0.00 H new ATOM 0 HG SER A 105 -4.454 2.992 16.400 1.00 0.00 H new ATOM 1718 N SER A 106 -5.648 7.006 17.399 1.00 0.00 N ATOM 1719 CA SER A 106 -5.046 8.301 17.188 1.00 0.00 C ATOM 1720 C SER A 106 -4.016 8.231 16.076 1.00 0.00 C ATOM 1721 O SER A 106 -3.252 7.272 15.971 1.00 0.00 O ATOM 1722 CB SER A 106 -4.393 8.800 18.478 1.00 0.00 C ATOM 1723 OG SER A 106 -5.366 9.083 19.467 1.00 0.00 O ATOM 0 H SER A 106 -5.444 6.588 18.307 1.00 0.00 H new ATOM 0 HA SER A 106 -5.828 9.002 16.896 1.00 0.00 H new ATOM 0 HB2 SER A 106 -3.698 8.048 18.852 1.00 0.00 H new ATOM 0 HB3 SER A 106 -3.810 9.697 18.270 1.00 0.00 H new ATOM 0 HG SER A 106 -4.922 9.398 20.282 1.00 0.00 H new ATOM 1729 N VAL A 107 -4.009 9.261 15.256 1.00 0.00 N ATOM 1730 CA VAL A 107 -3.073 9.358 14.144 1.00 0.00 C ATOM 1731 C VAL A 107 -2.624 10.797 13.954 1.00 0.00 C ATOM 1732 O VAL A 107 -3.431 11.727 13.969 1.00 0.00 O ATOM 1733 CB VAL A 107 -3.667 8.814 12.828 1.00 0.00 C ATOM 1734 CG1 VAL A 107 -2.936 9.383 11.619 1.00 0.00 C ATOM 1735 CG2 VAL A 107 -3.602 7.298 12.814 1.00 0.00 C ATOM 0 H VAL A 107 -4.646 10.053 15.336 1.00 0.00 H new ATOM 0 HA VAL A 107 -2.213 8.738 14.396 1.00 0.00 H new ATOM 0 HB VAL A 107 -4.709 9.127 12.771 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -3.376 8.982 10.706 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -3.025 10.469 11.618 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -1.883 9.105 11.667 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -4.024 6.924 11.881 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -2.563 6.978 12.897 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -4.172 6.902 13.654 1.00 0.00 H new ATOM 1745 N THR A 108 -1.326 10.959 13.777 1.00 0.00 N ATOM 1746 CA THR A 108 -0.725 12.267 13.603 1.00 0.00 C ATOM 1747 C THR A 108 -1.334 13.040 12.435 1.00 0.00 C ATOM 1748 O THR A 108 -1.787 12.457 11.450 1.00 0.00 O ATOM 1749 CB THR A 108 0.787 12.129 13.375 1.00 0.00 C ATOM 1750 OG1 THR A 108 1.256 10.901 13.945 1.00 0.00 O ATOM 1751 CG2 THR A 108 1.532 13.295 13.996 1.00 0.00 C ATOM 0 H THR A 108 -0.659 10.188 13.750 1.00 0.00 H new ATOM 0 HA THR A 108 -0.923 12.827 14.517 1.00 0.00 H new ATOM 0 HB THR A 108 0.974 12.127 12.301 1.00 0.00 H new ATOM 0 HG1 THR A 108 2.221 10.818 13.795 1.00 0.00 H new ATOM 0 HG21 THR A 108 2.602 13.177 13.823 1.00 0.00 H new ATOM 0 HG22 THR A 108 1.192 14.227 13.544 1.00 0.00 H new ATOM 0 HG23 THR A 108 1.339 13.320 15.068 1.00 0.00 H new ATOM 1759 N ALA A 109 -1.331 14.364 12.567 1.00 0.00 N ATOM 1760 CA ALA A 109 -1.848 15.259 11.537 1.00 0.00 C ATOM 1761 C ALA A 109 -0.796 15.469 10.455 1.00 0.00 C ATOM 1762 O ALA A 109 -1.074 16.007 9.384 1.00 0.00 O ATOM 1763 CB ALA A 109 -2.264 16.590 12.145 1.00 0.00 C ATOM 0 H ALA A 109 -0.970 14.846 13.391 1.00 0.00 H new ATOM 0 HA ALA A 109 -2.729 14.803 11.085 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -2.647 17.244 11.362 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -3.042 16.422 12.890 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -1.402 17.059 12.620 1.00 0.00 H new ATOM 1769 N GLU A 110 0.417 15.033 10.765 1.00 0.00 N ATOM 1770 CA GLU A 110 1.549 15.169 9.859 1.00 0.00 C ATOM 1771 C GLU A 110 1.577 14.006 8.874 1.00 0.00 C ATOM 1772 O GLU A 110 2.257 14.054 7.851 1.00 0.00 O ATOM 1773 CB GLU A 110 2.861 15.227 10.644 1.00 0.00 C ATOM 1774 CG GLU A 110 3.712 16.444 10.316 1.00 0.00 C ATOM 1775 CD GLU A 110 4.917 16.575 11.226 1.00 0.00 C ATOM 1776 OE1 GLU A 110 5.842 15.744 11.111 1.00 0.00 O ATOM 1777 OE2 GLU A 110 4.936 17.512 12.054 1.00 0.00 O ATOM 0 H GLU A 110 0.644 14.577 11.649 1.00 0.00 H new ATOM 0 HA GLU A 110 1.437 16.100 9.303 1.00 0.00 H new ATOM 0 HB2 GLU A 110 2.637 15.227 11.711 1.00 0.00 H new ATOM 0 HB3 GLU A 110 3.438 14.325 10.440 1.00 0.00 H new ATOM 0 HG2 GLU A 110 4.048 16.379 9.281 1.00 0.00 H new ATOM 0 HG3 GLU A 110 3.101 17.343 10.397 1.00 0.00 H new ATOM 1784 N GLU A 111 0.838 12.957 9.206 1.00 0.00 N ATOM 1785 CA GLU A 111 0.785 11.767 8.377 1.00 0.00 C ATOM 1786 C GLU A 111 -0.235 11.919 7.251 1.00 0.00 C ATOM 1787 O GLU A 111 0.060 11.622 6.095 1.00 0.00 O ATOM 1788 CB GLU A 111 0.440 10.544 9.235 1.00 0.00 C ATOM 1789 CG GLU A 111 -0.162 9.395 8.446 1.00 0.00 C ATOM 1790 CD GLU A 111 -0.063 8.071 9.178 1.00 0.00 C ATOM 1791 OE1 GLU A 111 0.948 7.854 9.878 1.00 0.00 O ATOM 1792 OE2 GLU A 111 -0.996 7.252 9.050 1.00 0.00 O ATOM 0 H GLU A 111 0.265 12.909 10.049 1.00 0.00 H new ATOM 0 HA GLU A 111 1.767 11.627 7.926 1.00 0.00 H new ATOM 0 HB2 GLU A 111 1.344 10.196 9.735 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -0.260 10.844 10.015 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -1.209 9.613 8.236 1.00 0.00 H new ATOM 0 HG3 GLU A 111 0.346 9.314 7.485 1.00 0.00 H new ATOM 1799 N ALA A 112 -1.430 12.390 7.590 1.00 0.00 N ATOM 1800 CA ALA A 112 -2.495 12.541 6.607 1.00 0.00 C ATOM 1801 C ALA A 112 -2.476 13.891 5.883 1.00 0.00 C ATOM 1802 O ALA A 112 -2.678 13.949 4.671 1.00 0.00 O ATOM 1803 CB ALA A 112 -3.845 12.334 7.277 1.00 0.00 C ATOM 0 H ALA A 112 -1.685 12.673 8.536 1.00 0.00 H new ATOM 0 HA ALA A 112 -2.324 11.780 5.845 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -4.639 12.448 6.539 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -3.889 11.333 7.706 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -3.976 13.073 8.067 1.00 0.00 H new ATOM 1809 N LYS A 113 -2.233 14.970 6.623 1.00 0.00 N ATOM 1810 CA LYS A 113 -2.248 16.312 6.035 1.00 0.00 C ATOM 1811 C LYS A 113 -0.916 16.708 5.400 1.00 0.00 C ATOM 1812 O LYS A 113 -0.894 17.274 4.308 1.00 0.00 O ATOM 1813 CB LYS A 113 -2.639 17.344 7.095 1.00 0.00 C ATOM 1814 CG LYS A 113 -4.081 17.812 6.986 1.00 0.00 C ATOM 1815 CD LYS A 113 -4.441 18.775 8.105 1.00 0.00 C ATOM 1816 CE LYS A 113 -5.881 18.592 8.557 1.00 0.00 C ATOM 1817 NZ LYS A 113 -6.297 19.644 9.525 1.00 0.00 N ATOM 0 H LYS A 113 -2.025 14.945 7.621 1.00 0.00 H new ATOM 0 HA LYS A 113 -2.987 16.291 5.234 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -2.479 16.915 8.084 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -1.978 18.207 7.011 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -4.235 18.298 6.023 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -4.748 16.950 7.018 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -3.771 18.619 8.950 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -4.293 19.800 7.766 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -6.540 18.616 7.689 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -5.995 17.610 9.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -7.285 19.484 9.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -5.685 19.605 10.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -6.213 20.580 9.079 1.00 0.00 H new ATOM 1831 N LYS A 114 0.190 16.417 6.075 1.00 0.00 N ATOM 1832 CA LYS A 114 1.505 16.786 5.561 1.00 0.00 C ATOM 1833 C LYS A 114 1.862 16.003 4.299 1.00 0.00 C ATOM 1834 O LYS A 114 2.564 16.512 3.425 1.00 0.00 O ATOM 1835 CB LYS A 114 2.572 16.568 6.631 1.00 0.00 C ATOM 1836 CG LYS A 114 3.566 17.712 6.740 1.00 0.00 C ATOM 1837 CD LYS A 114 4.803 17.458 5.894 1.00 0.00 C ATOM 1838 CE LYS A 114 5.743 18.654 5.907 1.00 0.00 C ATOM 1839 NZ LYS A 114 5.903 19.221 7.274 1.00 0.00 N ATOM 0 H LYS A 114 0.204 15.931 6.972 1.00 0.00 H new ATOM 0 HA LYS A 114 1.468 17.843 5.297 1.00 0.00 H new ATOM 0 HB2 LYS A 114 2.084 16.428 7.596 1.00 0.00 H new ATOM 0 HB3 LYS A 114 3.113 15.647 6.411 1.00 0.00 H new ATOM 0 HG2 LYS A 114 3.091 18.640 6.422 1.00 0.00 H new ATOM 0 HG3 LYS A 114 3.857 17.844 7.782 1.00 0.00 H new ATOM 0 HD2 LYS A 114 5.327 16.578 6.268 1.00 0.00 H new ATOM 0 HD3 LYS A 114 4.505 17.239 4.869 1.00 0.00 H new ATOM 0 HE2 LYS A 114 6.718 18.354 5.522 1.00 0.00 H new ATOM 0 HE3 LYS A 114 5.360 19.424 5.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 6.727 19.856 7.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 5.048 19.755 7.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 6.046 18.449 7.956 1.00 0.00 H new ATOM 1853 N PHE A 115 1.379 14.768 4.204 1.00 0.00 N ATOM 1854 CA PHE A 115 1.663 13.928 3.045 1.00 0.00 C ATOM 1855 C PHE A 115 0.845 14.350 1.827 1.00 0.00 C ATOM 1856 O PHE A 115 1.383 14.497 0.729 1.00 0.00 O ATOM 1857 CB PHE A 115 1.373 12.464 3.372 1.00 0.00 C ATOM 1858 CG PHE A 115 2.481 11.774 4.116 1.00 0.00 C ATOM 1859 CD1 PHE A 115 2.892 12.231 5.359 1.00 0.00 C ATOM 1860 CD2 PHE A 115 3.107 10.664 3.575 1.00 0.00 C ATOM 1861 CE1 PHE A 115 3.907 11.591 6.047 1.00 0.00 C ATOM 1862 CE2 PHE A 115 4.119 10.020 4.257 1.00 0.00 C ATOM 1863 CZ PHE A 115 4.521 10.484 5.495 1.00 0.00 C ATOM 0 H PHE A 115 0.792 14.328 4.912 1.00 0.00 H new ATOM 0 HA PHE A 115 2.719 14.050 2.804 1.00 0.00 H new ATOM 0 HB2 PHE A 115 0.461 12.409 3.966 1.00 0.00 H new ATOM 0 HB3 PHE A 115 1.182 11.926 2.444 1.00 0.00 H new ATOM 0 HD1 PHE A 115 2.414 13.096 5.795 1.00 0.00 H new ATOM 0 HD2 PHE A 115 2.799 10.297 2.607 1.00 0.00 H new ATOM 0 HE1 PHE A 115 4.219 11.956 7.014 1.00 0.00 H new ATOM 0 HE2 PHE A 115 4.597 9.154 3.823 1.00 0.00 H new ATOM 0 HZ PHE A 115 5.314 9.982 6.030 1.00 0.00 H new ATOM 1873 N LEU A 116 -0.455 14.547 2.025 1.00 0.00 N ATOM 1874 CA LEU A 116 -1.340 14.947 0.935 1.00 0.00 C ATOM 1875 C LEU A 116 -1.709 16.424 1.041 1.00 0.00 C ATOM 1876 O LEU A 116 -2.865 16.770 1.285 1.00 0.00 O ATOM 1877 CB LEU A 116 -2.610 14.088 0.937 1.00 0.00 C ATOM 1878 CG LEU A 116 -2.504 12.772 0.164 1.00 0.00 C ATOM 1879 CD1 LEU A 116 -2.187 11.623 1.109 1.00 0.00 C ATOM 1880 CD2 LEU A 116 -3.792 12.495 -0.601 1.00 0.00 C ATOM 0 H LEU A 116 -0.918 14.437 2.927 1.00 0.00 H new ATOM 0 HA LEU A 116 -0.807 14.794 -0.004 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -2.877 13.864 1.970 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -3.427 14.674 0.516 1.00 0.00 H new ATOM 0 HG LEU A 116 -1.690 12.861 -0.556 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -2.115 10.695 0.542 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -1.239 11.816 1.611 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -2.979 11.534 1.852 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -3.697 11.555 -1.145 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -4.624 12.427 0.100 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -3.977 13.305 -1.307 1.00 0.00 H new ATOM 1892 N ALA A 117 -0.717 17.290 0.857 1.00 0.00 N ATOM 1893 CA ALA A 117 -0.937 18.729 0.927 1.00 0.00 C ATOM 1894 C ALA A 117 -1.523 19.256 -0.382 1.00 0.00 C ATOM 1895 O ALA A 117 -1.296 18.679 -1.445 1.00 0.00 O ATOM 1896 CB ALA A 117 0.366 19.445 1.251 1.00 0.00 C ATOM 0 H ALA A 117 0.246 17.020 0.658 1.00 0.00 H new ATOM 0 HA ALA A 117 -1.655 18.927 1.723 1.00 0.00 H new ATOM 0 HB1 ALA A 117 0.188 20.519 1.300 1.00 0.00 H new ATOM 0 HB2 ALA A 117 0.744 19.095 2.212 1.00 0.00 H new ATOM 0 HB3 ALA A 117 1.100 19.234 0.473 1.00 0.00 H new