USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 736 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 NoAdj-H: A 67 HIS HE2 : A 67 HIS NE2 : A 401 ZNZN :(H bumps) USER MOD NoAdj-H: A 70 HIS HD1 : A 70 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 47 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 59 GLN : amide:sc= 1.12 K(o=1.1,f=-0.018) USER MOD Set 2.1: A 29 HIS : no HE2:sc= 0.802 K(o=1.8,f=-1.4) USER MOD Set 2.2: A 46 CYS SG : rot 101:sc= 0.981 USER MOD Single : A 1 GLY N :NH3+ -111:sc= 0.0912 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= -0.435 X(o=-0.43,f=-0.14) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 163:sc= -0.0237 (180deg=-0.223) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -1.47 K(o=-1.5,f=-2.4) USER MOD Single : A 36 ASN : amide:sc= -0.349 X(o=-0.35,f=0) USER MOD Single : A 38 LYS NZ :NH3+ -129:sc= 0.488 (180deg=0.00231) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 45 LYS NZ :NH3+ -117:sc= 0.865 (180deg=-0.123) USER MOD Single : A 48 LYS NZ :NH3+ -161:sc= -0.0302 (180deg=-0.214) USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.985 USER MOD Single : A 55 TYR OH : rot 180:sc= 0.0699 USER MOD Single : A 56 HIS : no HD1:sc= -5.59! C(o=-5.6!,f=-8.9!) USER MOD Single : A 64 SER OG : rot -28:sc= 0.0827 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 CYS SG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 93:sc= 0.275 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -0.0953 K(o=-0.095,f=-0.96) USER MOD Single : A 80 GLN : amide:sc= -1.65 K(o=-1.7,f=-1.1!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ -161:sc= -0.0517 (180deg=-0.375) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 41.328 43.707 1.794 1.00 0.00 N ATOM 2 CA GLY A 1 41.897 45.010 2.086 1.00 0.00 C ATOM 3 C GLY A 1 43.116 44.923 2.982 1.00 0.00 C ATOM 4 O GLY A 1 43.524 43.833 3.382 1.00 0.00 O ATOM 0 H1 GLY A 1 41.480 43.479 0.791 1.00 0.00 H new ATOM 0 H2 GLY A 1 41.788 42.987 2.387 1.00 0.00 H new ATOM 0 H3 GLY A 1 40.308 43.721 1.995 1.00 0.00 H new ATOM 0 HA2 GLY A 1 42.171 45.501 1.152 1.00 0.00 H new ATOM 0 HA3 GLY A 1 41.142 45.634 2.565 1.00 0.00 H new ATOM 8 N SER A 2 43.700 46.075 3.298 1.00 0.00 N ATOM 9 CA SER A 2 44.883 46.124 4.149 1.00 0.00 C ATOM 10 C SER A 2 44.734 47.194 5.226 1.00 0.00 C ATOM 11 O SER A 2 44.957 46.935 6.408 1.00 0.00 O ATOM 12 CB SER A 2 46.131 46.401 3.308 1.00 0.00 C ATOM 13 OG SER A 2 47.284 46.501 4.124 1.00 0.00 O ATOM 0 H SER A 2 43.373 46.986 2.977 1.00 0.00 H new ATOM 0 HA SER A 2 44.990 45.155 4.637 1.00 0.00 H new ATOM 0 HB2 SER A 2 46.266 45.603 2.578 1.00 0.00 H new ATOM 0 HB3 SER A 2 45.997 47.326 2.747 1.00 0.00 H new ATOM 0 HG SER A 2 48.068 46.677 3.563 1.00 0.00 H new ATOM 19 N SER A 3 44.355 48.397 4.807 1.00 0.00 N ATOM 20 CA SER A 3 44.179 49.509 5.734 1.00 0.00 C ATOM 21 C SER A 3 42.699 49.775 5.989 1.00 0.00 C ATOM 22 O SER A 3 41.950 50.110 5.072 1.00 0.00 O ATOM 23 CB SER A 3 44.848 50.770 5.184 1.00 0.00 C ATOM 24 OG SER A 3 44.919 51.782 6.173 1.00 0.00 O ATOM 0 H SER A 3 44.164 48.627 3.832 1.00 0.00 H new ATOM 0 HA SER A 3 44.650 49.239 6.679 1.00 0.00 H new ATOM 0 HB2 SER A 3 45.851 50.529 4.833 1.00 0.00 H new ATOM 0 HB3 SER A 3 44.288 51.137 4.324 1.00 0.00 H new ATOM 0 HG SER A 3 45.352 52.577 5.797 1.00 0.00 H new ATOM 30 N GLY A 4 42.283 49.622 7.243 1.00 0.00 N ATOM 31 CA GLY A 4 40.895 49.849 7.597 1.00 0.00 C ATOM 32 C GLY A 4 40.744 50.548 8.934 1.00 0.00 C ATOM 33 O GLY A 4 41.721 51.039 9.499 1.00 0.00 O ATOM 0 H GLY A 4 42.883 49.345 8.020 1.00 0.00 H new ATOM 0 HA2 GLY A 4 40.419 50.449 6.821 1.00 0.00 H new ATOM 0 HA3 GLY A 4 40.370 48.894 7.629 1.00 0.00 H new ATOM 37 N SER A 5 39.516 50.594 9.441 1.00 0.00 N ATOM 38 CA SER A 5 39.240 51.243 10.718 1.00 0.00 C ATOM 39 C SER A 5 37.986 50.662 11.362 1.00 0.00 C ATOM 40 O SER A 5 37.287 49.845 10.761 1.00 0.00 O ATOM 41 CB SER A 5 39.075 52.751 10.522 1.00 0.00 C ATOM 42 OG SER A 5 37.875 53.047 9.829 1.00 0.00 O ATOM 0 H SER A 5 38.697 50.190 8.987 1.00 0.00 H new ATOM 0 HA SER A 5 40.086 51.061 11.381 1.00 0.00 H new ATOM 0 HB2 SER A 5 39.071 53.249 11.492 1.00 0.00 H new ATOM 0 HB3 SER A 5 39.926 53.144 9.966 1.00 0.00 H new ATOM 0 HG SER A 5 37.792 54.017 9.718 1.00 0.00 H new ATOM 48 N SER A 6 37.707 51.088 12.590 1.00 0.00 N ATOM 49 CA SER A 6 36.538 50.608 13.319 1.00 0.00 C ATOM 50 C SER A 6 35.302 50.610 12.425 1.00 0.00 C ATOM 51 O SER A 6 35.195 51.409 11.496 1.00 0.00 O ATOM 52 CB SER A 6 36.290 51.476 14.554 1.00 0.00 C ATOM 53 OG SER A 6 37.366 51.376 15.472 1.00 0.00 O ATOM 0 H SER A 6 38.274 51.764 13.101 1.00 0.00 H new ATOM 0 HA SER A 6 36.733 49.584 13.637 1.00 0.00 H new ATOM 0 HB2 SER A 6 36.161 52.515 14.252 1.00 0.00 H new ATOM 0 HB3 SER A 6 35.364 51.168 15.039 1.00 0.00 H new ATOM 0 HG SER A 6 37.184 51.941 16.252 1.00 0.00 H new ATOM 59 N GLY A 7 34.368 49.709 12.715 1.00 0.00 N ATOM 60 CA GLY A 7 33.151 49.622 11.930 1.00 0.00 C ATOM 61 C GLY A 7 31.902 49.751 12.780 1.00 0.00 C ATOM 62 O GLY A 7 31.553 48.836 13.526 1.00 0.00 O ATOM 0 H GLY A 7 34.433 49.038 13.480 1.00 0.00 H new ATOM 0 HA2 GLY A 7 33.154 50.406 11.173 1.00 0.00 H new ATOM 0 HA3 GLY A 7 33.130 48.669 11.402 1.00 0.00 H new ATOM 66 N LEU A 8 31.228 50.890 12.669 1.00 0.00 N ATOM 67 CA LEU A 8 30.011 51.137 13.435 1.00 0.00 C ATOM 68 C LEU A 8 28.776 50.724 12.641 1.00 0.00 C ATOM 69 O LEU A 8 28.799 50.691 11.412 1.00 0.00 O ATOM 70 CB LEU A 8 29.916 52.615 13.816 1.00 0.00 C ATOM 71 CG LEU A 8 29.610 53.585 12.673 1.00 0.00 C ATOM 72 CD1 LEU A 8 28.108 53.766 12.515 1.00 0.00 C ATOM 73 CD2 LEU A 8 30.288 54.925 12.916 1.00 0.00 C ATOM 0 H LEU A 8 31.503 51.657 12.056 1.00 0.00 H new ATOM 0 HA LEU A 8 30.054 50.536 14.344 1.00 0.00 H new ATOM 0 HB2 LEU A 8 29.142 52.725 14.576 1.00 0.00 H new ATOM 0 HB3 LEU A 8 30.859 52.912 14.276 1.00 0.00 H new ATOM 0 HG LEU A 8 30.004 53.164 11.748 1.00 0.00 H new ATOM 0 HD11 LEU A 8 27.909 54.459 11.698 1.00 0.00 H new ATOM 0 HD12 LEU A 8 27.647 52.803 12.295 1.00 0.00 H new ATOM 0 HD13 LEU A 8 27.690 54.166 13.439 1.00 0.00 H new ATOM 0 HD21 LEU A 8 30.060 55.603 12.093 1.00 0.00 H new ATOM 0 HD22 LEU A 8 29.924 55.353 13.850 1.00 0.00 H new ATOM 0 HD23 LEU A 8 31.367 54.781 12.979 1.00 0.00 H new ATOM 85 N GLU A 9 27.698 50.411 13.355 1.00 0.00 N ATOM 86 CA GLU A 9 26.453 50.002 12.716 1.00 0.00 C ATOM 87 C GLU A 9 25.772 51.189 12.040 1.00 0.00 C ATOM 88 O GLU A 9 24.905 51.836 12.626 1.00 0.00 O ATOM 89 CB GLU A 9 25.508 49.376 13.744 1.00 0.00 C ATOM 90 CG GLU A 9 24.292 48.707 13.126 1.00 0.00 C ATOM 91 CD GLU A 9 24.663 47.601 12.158 1.00 0.00 C ATOM 92 OE1 GLU A 9 24.812 46.445 12.607 1.00 0.00 O ATOM 93 OE2 GLU A 9 24.806 47.891 10.952 1.00 0.00 O ATOM 0 H GLU A 9 27.662 50.433 14.374 1.00 0.00 H new ATOM 0 HA GLU A 9 26.693 49.260 11.954 1.00 0.00 H new ATOM 0 HB2 GLU A 9 26.058 48.640 14.330 1.00 0.00 H new ATOM 0 HB3 GLU A 9 25.174 50.149 14.436 1.00 0.00 H new ATOM 0 HG2 GLU A 9 23.666 48.296 13.918 1.00 0.00 H new ATOM 0 HG3 GLU A 9 23.696 49.456 12.605 1.00 0.00 H new ATOM 100 N GLU A 10 26.172 51.467 10.803 1.00 0.00 N ATOM 101 CA GLU A 10 25.602 52.577 10.048 1.00 0.00 C ATOM 102 C GLU A 10 24.454 52.099 9.163 1.00 0.00 C ATOM 103 O GLU A 10 23.400 52.733 9.099 1.00 0.00 O ATOM 104 CB GLU A 10 26.678 53.245 9.190 1.00 0.00 C ATOM 105 CG GLU A 10 26.330 54.665 8.774 1.00 0.00 C ATOM 106 CD GLU A 10 26.548 55.669 9.890 1.00 0.00 C ATOM 107 OE1 GLU A 10 25.796 55.622 10.886 1.00 0.00 O ATOM 108 OE2 GLU A 10 27.470 56.501 9.766 1.00 0.00 O ATOM 0 H GLU A 10 26.888 50.940 10.303 1.00 0.00 H new ATOM 0 HA GLU A 10 25.212 53.305 10.759 1.00 0.00 H new ATOM 0 HB2 GLU A 10 27.617 53.257 9.744 1.00 0.00 H new ATOM 0 HB3 GLU A 10 26.843 52.644 8.296 1.00 0.00 H new ATOM 0 HG2 GLU A 10 26.936 54.947 7.913 1.00 0.00 H new ATOM 0 HG3 GLU A 10 25.288 54.702 8.456 1.00 0.00 H new ATOM 115 N PHE A 11 24.666 50.979 8.482 1.00 0.00 N ATOM 116 CA PHE A 11 23.651 50.416 7.599 1.00 0.00 C ATOM 117 C PHE A 11 23.267 49.007 8.040 1.00 0.00 C ATOM 118 O PHE A 11 24.046 48.315 8.696 1.00 0.00 O ATOM 119 CB PHE A 11 24.157 50.391 6.155 1.00 0.00 C ATOM 120 CG PHE A 11 23.057 50.437 5.133 1.00 0.00 C ATOM 121 CD1 PHE A 11 22.238 51.549 5.027 1.00 0.00 C ATOM 122 CD2 PHE A 11 22.843 49.368 4.279 1.00 0.00 C ATOM 123 CE1 PHE A 11 21.225 51.594 4.088 1.00 0.00 C ATOM 124 CE2 PHE A 11 21.831 49.406 3.338 1.00 0.00 C ATOM 125 CZ PHE A 11 21.022 50.521 3.242 1.00 0.00 C ATOM 0 H PHE A 11 25.532 50.442 8.524 1.00 0.00 H new ATOM 0 HA PHE A 11 22.765 51.049 7.655 1.00 0.00 H new ATOM 0 HB2 PHE A 11 24.824 51.239 5.998 1.00 0.00 H new ATOM 0 HB3 PHE A 11 24.748 49.488 6.001 1.00 0.00 H new ATOM 0 HD1 PHE A 11 22.393 52.391 5.686 1.00 0.00 H new ATOM 0 HD2 PHE A 11 23.474 48.494 4.349 1.00 0.00 H new ATOM 0 HE1 PHE A 11 20.593 52.467 4.016 1.00 0.00 H new ATOM 0 HE2 PHE A 11 21.673 48.565 2.679 1.00 0.00 H new ATOM 0 HZ PHE A 11 20.232 50.554 2.507 1.00 0.00 H new ATOM 135 N LYS A 12 22.060 48.588 7.675 1.00 0.00 N ATOM 136 CA LYS A 12 21.571 47.261 8.031 1.00 0.00 C ATOM 137 C LYS A 12 21.476 46.367 6.799 1.00 0.00 C ATOM 138 O LYS A 12 20.879 46.745 5.791 1.00 0.00 O ATOM 139 CB LYS A 12 20.201 47.364 8.706 1.00 0.00 C ATOM 140 CG LYS A 12 20.210 48.198 9.976 1.00 0.00 C ATOM 141 CD LYS A 12 18.800 48.501 10.454 1.00 0.00 C ATOM 142 CE LYS A 12 18.762 49.747 11.326 1.00 0.00 C ATOM 143 NZ LYS A 12 17.544 49.789 12.180 1.00 0.00 N ATOM 0 H LYS A 12 21.402 49.148 7.133 1.00 0.00 H new ATOM 0 HA LYS A 12 22.281 46.815 8.728 1.00 0.00 H new ATOM 0 HB2 LYS A 12 19.490 47.797 8.002 1.00 0.00 H new ATOM 0 HB3 LYS A 12 19.845 46.361 8.942 1.00 0.00 H new ATOM 0 HG2 LYS A 12 20.754 47.667 10.757 1.00 0.00 H new ATOM 0 HG3 LYS A 12 20.742 49.132 9.795 1.00 0.00 H new ATOM 0 HD2 LYS A 12 18.145 48.638 9.594 1.00 0.00 H new ATOM 0 HD3 LYS A 12 18.415 47.650 11.016 1.00 0.00 H new ATOM 0 HE2 LYS A 12 19.650 49.775 11.958 1.00 0.00 H new ATOM 0 HE3 LYS A 12 18.793 50.634 10.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 17.556 50.653 12.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 16.697 49.788 11.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 17.527 48.956 12.802 1.00 0.00 H new ATOM 157 N ASN A 13 22.066 45.180 6.887 1.00 0.00 N ATOM 158 CA ASN A 13 22.047 44.232 5.779 1.00 0.00 C ATOM 159 C ASN A 13 21.727 42.825 6.272 1.00 0.00 C ATOM 160 O ASN A 13 22.441 42.272 7.109 1.00 0.00 O ATOM 161 CB ASN A 13 23.394 44.237 5.053 1.00 0.00 C ATOM 162 CG ASN A 13 24.556 43.968 5.990 1.00 0.00 C ATOM 163 OD1 ASN A 13 25.083 44.884 6.622 1.00 0.00 O ATOM 164 ND2 ASN A 13 24.962 42.707 6.082 1.00 0.00 N ATOM 0 H ASN A 13 22.564 44.851 7.714 1.00 0.00 H new ATOM 0 HA ASN A 13 21.266 44.540 5.084 1.00 0.00 H new ATOM 0 HB2 ASN A 13 23.383 43.482 4.266 1.00 0.00 H new ATOM 0 HB3 ASN A 13 23.538 45.202 4.567 1.00 0.00 H new ATOM 0 HD21 ASN A 13 25.740 42.465 6.695 1.00 0.00 H new ATOM 0 HD22 ASN A 13 24.495 41.980 5.539 1.00 0.00 H new ATOM 171 N SER A 14 20.649 42.250 5.748 1.00 0.00 N ATOM 172 CA SER A 14 20.233 40.908 6.137 1.00 0.00 C ATOM 173 C SER A 14 20.160 39.988 4.922 1.00 0.00 C ATOM 174 O SER A 14 19.203 40.037 4.149 1.00 0.00 O ATOM 175 CB SER A 14 18.873 40.956 6.837 1.00 0.00 C ATOM 176 OG SER A 14 18.918 41.789 7.982 1.00 0.00 O ATOM 0 H SER A 14 20.048 42.693 5.053 1.00 0.00 H new ATOM 0 HA SER A 14 20.976 40.510 6.828 1.00 0.00 H new ATOM 0 HB2 SER A 14 18.117 41.325 6.144 1.00 0.00 H new ATOM 0 HB3 SER A 14 18.574 39.949 7.128 1.00 0.00 H new ATOM 0 HG SER A 14 18.037 41.804 8.410 1.00 0.00 H new ATOM 182 N SER A 15 21.178 39.149 4.761 1.00 0.00 N ATOM 183 CA SER A 15 21.233 38.220 3.639 1.00 0.00 C ATOM 184 C SER A 15 20.315 37.025 3.878 1.00 0.00 C ATOM 185 O SER A 15 19.738 36.876 4.955 1.00 0.00 O ATOM 186 CB SER A 15 22.668 37.739 3.417 1.00 0.00 C ATOM 187 OG SER A 15 23.367 38.606 2.541 1.00 0.00 O ATOM 0 H SER A 15 21.976 39.094 5.394 1.00 0.00 H new ATOM 0 HA SER A 15 20.892 38.746 2.747 1.00 0.00 H new ATOM 0 HB2 SER A 15 23.189 37.686 4.373 1.00 0.00 H new ATOM 0 HB3 SER A 15 22.657 36.731 3.003 1.00 0.00 H new ATOM 0 HG SER A 15 24.282 38.278 2.417 1.00 0.00 H new ATOM 193 N LYS A 16 20.184 36.176 2.864 1.00 0.00 N ATOM 194 CA LYS A 16 19.338 34.992 2.962 1.00 0.00 C ATOM 195 C LYS A 16 20.171 33.718 2.865 1.00 0.00 C ATOM 196 O LYS A 16 21.346 33.759 2.497 1.00 0.00 O ATOM 197 CB LYS A 16 18.278 35.006 1.858 1.00 0.00 C ATOM 198 CG LYS A 16 17.226 36.087 2.039 1.00 0.00 C ATOM 199 CD LYS A 16 16.025 35.852 1.139 1.00 0.00 C ATOM 200 CE LYS A 16 15.144 34.729 1.665 1.00 0.00 C ATOM 201 NZ LYS A 16 14.436 35.120 2.916 1.00 0.00 N ATOM 0 H LYS A 16 20.653 36.286 1.965 1.00 0.00 H new ATOM 0 HA LYS A 16 18.844 35.008 3.933 1.00 0.00 H new ATOM 0 HB2 LYS A 16 18.770 35.147 0.895 1.00 0.00 H new ATOM 0 HB3 LYS A 16 17.786 34.034 1.826 1.00 0.00 H new ATOM 0 HG2 LYS A 16 16.903 36.111 3.080 1.00 0.00 H new ATOM 0 HG3 LYS A 16 17.662 37.061 1.818 1.00 0.00 H new ATOM 0 HD2 LYS A 16 15.441 36.769 1.064 1.00 0.00 H new ATOM 0 HD3 LYS A 16 16.366 35.608 0.133 1.00 0.00 H new ATOM 0 HE2 LYS A 16 14.413 34.454 0.905 1.00 0.00 H new ATOM 0 HE3 LYS A 16 15.755 33.846 1.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 13.645 34.466 3.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 15.098 35.078 3.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 14.070 36.089 2.819 1.00 0.00 H new ATOM 215 N LEU A 17 19.556 32.588 3.195 1.00 0.00 N ATOM 216 CA LEU A 17 20.241 31.301 3.143 1.00 0.00 C ATOM 217 C LEU A 17 19.683 30.432 2.021 1.00 0.00 C ATOM 218 O LEU A 17 18.722 30.808 1.350 1.00 0.00 O ATOM 219 CB LEU A 17 20.104 30.574 4.482 1.00 0.00 C ATOM 220 CG LEU A 17 21.122 30.954 5.559 1.00 0.00 C ATOM 221 CD1 LEU A 17 22.508 30.453 5.184 1.00 0.00 C ATOM 222 CD2 LEU A 17 21.136 32.461 5.771 1.00 0.00 C ATOM 0 H LEU A 17 18.584 32.537 3.501 1.00 0.00 H new ATOM 0 HA LEU A 17 21.296 31.487 2.943 1.00 0.00 H new ATOM 0 HB2 LEU A 17 19.104 30.761 4.873 1.00 0.00 H new ATOM 0 HB3 LEU A 17 20.180 29.502 4.300 1.00 0.00 H new ATOM 0 HG LEU A 17 20.828 30.478 6.495 1.00 0.00 H new ATOM 0 HD11 LEU A 17 23.219 30.733 5.962 1.00 0.00 H new ATOM 0 HD12 LEU A 17 22.488 29.368 5.084 1.00 0.00 H new ATOM 0 HD13 LEU A 17 22.812 30.899 4.237 1.00 0.00 H new ATOM 0 HD21 LEU A 17 21.866 32.713 6.540 1.00 0.00 H new ATOM 0 HD22 LEU A 17 21.405 32.957 4.839 1.00 0.00 H new ATOM 0 HD23 LEU A 17 20.147 32.793 6.086 1.00 0.00 H new ATOM 234 N VAL A 18 20.291 29.266 1.824 1.00 0.00 N ATOM 235 CA VAL A 18 19.853 28.341 0.785 1.00 0.00 C ATOM 236 C VAL A 18 19.085 27.168 1.383 1.00 0.00 C ATOM 237 O VAL A 18 19.623 26.406 2.186 1.00 0.00 O ATOM 238 CB VAL A 18 21.046 27.801 -0.025 1.00 0.00 C ATOM 239 CG1 VAL A 18 20.573 26.807 -1.075 1.00 0.00 C ATOM 240 CG2 VAL A 18 21.814 28.945 -0.669 1.00 0.00 C ATOM 0 H VAL A 18 21.088 28.940 2.370 1.00 0.00 H new ATOM 0 HA VAL A 18 19.196 28.900 0.119 1.00 0.00 H new ATOM 0 HB VAL A 18 21.719 27.280 0.656 1.00 0.00 H new ATOM 0 HG11 VAL A 18 21.430 26.436 -1.637 1.00 0.00 H new ATOM 0 HG12 VAL A 18 20.071 25.972 -0.586 1.00 0.00 H new ATOM 0 HG13 VAL A 18 19.878 27.299 -1.755 1.00 0.00 H new ATOM 0 HG21 VAL A 18 22.654 28.545 -1.237 1.00 0.00 H new ATOM 0 HG22 VAL A 18 21.153 29.496 -1.338 1.00 0.00 H new ATOM 0 HG23 VAL A 18 22.187 29.615 0.106 1.00 0.00 H new ATOM 250 N ALA A 19 17.825 27.028 0.984 1.00 0.00 N ATOM 251 CA ALA A 19 16.983 25.945 1.478 1.00 0.00 C ATOM 252 C ALA A 19 17.679 24.597 1.328 1.00 0.00 C ATOM 253 O ALA A 19 18.414 24.370 0.367 1.00 0.00 O ATOM 254 CB ALA A 19 15.650 25.938 0.746 1.00 0.00 C ATOM 0 H ALA A 19 17.365 27.651 0.320 1.00 0.00 H new ATOM 0 HA ALA A 19 16.801 26.114 2.539 1.00 0.00 H new ATOM 0 HB1 ALA A 19 15.031 25.124 1.125 1.00 0.00 H new ATOM 0 HB2 ALA A 19 15.140 26.888 0.909 1.00 0.00 H new ATOM 0 HB3 ALA A 19 15.822 25.797 -0.321 1.00 0.00 H new ATOM 260 N ALA A 20 17.443 23.705 2.285 1.00 0.00 N ATOM 261 CA ALA A 20 18.047 22.378 2.258 1.00 0.00 C ATOM 262 C ALA A 20 17.119 21.340 2.881 1.00 0.00 C ATOM 263 O ALA A 20 16.112 21.686 3.498 1.00 0.00 O ATOM 264 CB ALA A 20 19.386 22.393 2.979 1.00 0.00 C ATOM 0 H ALA A 20 16.838 23.877 3.088 1.00 0.00 H new ATOM 0 HA ALA A 20 18.211 22.101 1.217 1.00 0.00 H new ATOM 0 HB1 ALA A 20 19.825 21.396 2.951 1.00 0.00 H new ATOM 0 HB2 ALA A 20 20.056 23.099 2.488 1.00 0.00 H new ATOM 0 HB3 ALA A 20 19.238 22.695 4.016 1.00 0.00 H new ATOM 270 N ALA A 21 17.466 20.068 2.716 1.00 0.00 N ATOM 271 CA ALA A 21 16.665 18.981 3.263 1.00 0.00 C ATOM 272 C ALA A 21 16.971 18.764 4.741 1.00 0.00 C ATOM 273 O ALA A 21 17.090 17.628 5.200 1.00 0.00 O ATOM 274 CB ALA A 21 16.907 17.700 2.479 1.00 0.00 C ATOM 0 H ALA A 21 18.297 19.765 2.208 1.00 0.00 H new ATOM 0 HA ALA A 21 15.614 19.256 3.172 1.00 0.00 H new ATOM 0 HB1 ALA A 21 16.302 16.897 2.899 1.00 0.00 H new ATOM 0 HB2 ALA A 21 16.632 17.854 1.436 1.00 0.00 H new ATOM 0 HB3 ALA A 21 17.961 17.430 2.540 1.00 0.00 H new ATOM 280 N GLU A 22 17.098 19.861 5.482 1.00 0.00 N ATOM 281 CA GLU A 22 17.392 19.789 6.908 1.00 0.00 C ATOM 282 C GLU A 22 16.110 19.858 7.732 1.00 0.00 C ATOM 283 O GLU A 22 15.949 19.133 8.715 1.00 0.00 O ATOM 284 CB GLU A 22 18.334 20.924 7.315 1.00 0.00 C ATOM 285 CG GLU A 22 19.055 20.675 8.629 1.00 0.00 C ATOM 286 CD GLU A 22 18.100 20.467 9.788 1.00 0.00 C ATOM 287 OE1 GLU A 22 17.216 21.326 9.989 1.00 0.00 O ATOM 288 OE2 GLU A 22 18.236 19.447 10.495 1.00 0.00 O ATOM 0 H GLU A 22 17.002 20.809 5.118 1.00 0.00 H new ATOM 0 HA GLU A 22 17.879 18.834 7.105 1.00 0.00 H new ATOM 0 HB2 GLU A 22 19.073 21.072 6.527 1.00 0.00 H new ATOM 0 HB3 GLU A 22 17.762 21.849 7.393 1.00 0.00 H new ATOM 0 HG2 GLU A 22 19.694 19.798 8.528 1.00 0.00 H new ATOM 0 HG3 GLU A 22 19.707 21.521 8.847 1.00 0.00 H new ATOM 295 N LYS A 23 15.198 20.735 7.325 1.00 0.00 N ATOM 296 CA LYS A 23 13.929 20.900 8.023 1.00 0.00 C ATOM 297 C LYS A 23 13.153 19.587 8.060 1.00 0.00 C ATOM 298 O LYS A 23 13.349 18.717 7.212 1.00 0.00 O ATOM 299 CB LYS A 23 13.087 21.983 7.345 1.00 0.00 C ATOM 300 CG LYS A 23 12.629 21.610 5.946 1.00 0.00 C ATOM 301 CD LYS A 23 12.233 22.838 5.143 1.00 0.00 C ATOM 302 CE LYS A 23 13.437 23.475 4.467 1.00 0.00 C ATOM 303 NZ LYS A 23 13.067 24.711 3.724 1.00 0.00 N ATOM 0 H LYS A 23 15.315 21.343 6.514 1.00 0.00 H new ATOM 0 HA LYS A 23 14.144 21.204 9.048 1.00 0.00 H new ATOM 0 HB2 LYS A 23 12.212 22.190 7.961 1.00 0.00 H new ATOM 0 HB3 LYS A 23 13.667 22.904 7.295 1.00 0.00 H new ATOM 0 HG2 LYS A 23 13.429 21.079 5.430 1.00 0.00 H new ATOM 0 HG3 LYS A 23 11.782 20.927 6.009 1.00 0.00 H new ATOM 0 HD2 LYS A 23 11.497 22.559 4.389 1.00 0.00 H new ATOM 0 HD3 LYS A 23 11.756 23.565 5.800 1.00 0.00 H new ATOM 0 HE2 LYS A 23 14.190 23.714 5.218 1.00 0.00 H new ATOM 0 HE3 LYS A 23 13.888 22.759 3.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 13.915 25.115 3.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 12.367 24.479 2.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 12.660 25.404 4.384 1.00 0.00 H new ATOM 317 N GLU A 24 12.273 19.453 9.046 1.00 0.00 N ATOM 318 CA GLU A 24 11.468 18.245 9.191 1.00 0.00 C ATOM 319 C GLU A 24 10.743 17.915 7.889 1.00 0.00 C ATOM 320 O GLU A 24 10.606 18.765 7.010 1.00 0.00 O ATOM 321 CB GLU A 24 10.453 18.415 10.324 1.00 0.00 C ATOM 322 CG GLU A 24 9.439 19.519 10.071 1.00 0.00 C ATOM 323 CD GLU A 24 9.980 20.895 10.405 1.00 0.00 C ATOM 324 OE1 GLU A 24 10.701 21.019 11.418 1.00 0.00 O ATOM 325 OE2 GLU A 24 9.682 21.848 9.656 1.00 0.00 O ATOM 0 H GLU A 24 12.099 20.164 9.756 1.00 0.00 H new ATOM 0 HA GLU A 24 12.137 17.420 9.433 1.00 0.00 H new ATOM 0 HB2 GLU A 24 9.924 17.474 10.471 1.00 0.00 H new ATOM 0 HB3 GLU A 24 10.987 18.628 11.250 1.00 0.00 H new ATOM 0 HG2 GLU A 24 9.136 19.496 9.024 1.00 0.00 H new ATOM 0 HG3 GLU A 24 8.545 19.330 10.666 1.00 0.00 H new ATOM 332 N ARG A 25 10.283 16.673 7.774 1.00 0.00 N ATOM 333 CA ARG A 25 9.575 16.229 6.580 1.00 0.00 C ATOM 334 C ARG A 25 8.571 17.282 6.120 1.00 0.00 C ATOM 335 O ARG A 25 8.199 18.176 6.882 1.00 0.00 O ATOM 336 CB ARG A 25 8.855 14.907 6.851 1.00 0.00 C ATOM 337 CG ARG A 25 9.690 13.680 6.522 1.00 0.00 C ATOM 338 CD ARG A 25 10.809 13.481 7.532 1.00 0.00 C ATOM 339 NE ARG A 25 11.904 14.426 7.329 1.00 0.00 N ATOM 340 CZ ARG A 25 13.135 14.235 7.791 1.00 0.00 C ATOM 341 NH1 ARG A 25 13.426 13.139 8.478 1.00 0.00 N ATOM 342 NH2 ARG A 25 14.078 15.141 7.565 1.00 0.00 N ATOM 0 H ARG A 25 10.388 15.957 8.493 1.00 0.00 H new ATOM 0 HA ARG A 25 10.308 16.080 5.787 1.00 0.00 H new ATOM 0 HB2 ARG A 25 8.567 14.869 7.901 1.00 0.00 H new ATOM 0 HB3 ARG A 25 7.935 14.877 6.267 1.00 0.00 H new ATOM 0 HG2 ARG A 25 9.051 12.797 6.507 1.00 0.00 H new ATOM 0 HG3 ARG A 25 10.114 13.784 5.523 1.00 0.00 H new ATOM 0 HD2 ARG A 25 10.412 13.597 8.540 1.00 0.00 H new ATOM 0 HD3 ARG A 25 11.190 12.463 7.455 1.00 0.00 H new ATOM 0 HE ARG A 25 11.713 15.279 6.804 1.00 0.00 H new ATOM 0 HH11 ARG A 25 12.704 12.440 8.653 1.00 0.00 H new ATOM 0 HH12 ARG A 25 14.372 12.995 8.832 1.00 0.00 H new ATOM 0 HH21 ARG A 25 13.858 15.985 7.036 1.00 0.00 H new ATOM 0 HH22 ARG A 25 15.023 14.993 7.920 1.00 0.00 H new ATOM 356 N LEU A 26 8.136 17.171 4.870 1.00 0.00 N ATOM 357 CA LEU A 26 7.175 18.114 4.307 1.00 0.00 C ATOM 358 C LEU A 26 5.808 17.954 4.963 1.00 0.00 C ATOM 359 O LEU A 26 5.068 18.925 5.123 1.00 0.00 O ATOM 360 CB LEU A 26 7.055 17.909 2.796 1.00 0.00 C ATOM 361 CG LEU A 26 6.756 16.483 2.333 1.00 0.00 C ATOM 362 CD1 LEU A 26 5.255 16.251 2.258 1.00 0.00 C ATOM 363 CD2 LEU A 26 7.408 16.211 0.985 1.00 0.00 C ATOM 0 H LEU A 26 8.433 16.437 4.227 1.00 0.00 H new ATOM 0 HA LEU A 26 7.536 19.124 4.503 1.00 0.00 H new ATOM 0 HB2 LEU A 26 6.267 18.563 2.422 1.00 0.00 H new ATOM 0 HB3 LEU A 26 7.986 18.233 2.331 1.00 0.00 H new ATOM 0 HG LEU A 26 7.175 15.789 3.062 1.00 0.00 H new ATOM 0 HD11 LEU A 26 5.061 15.231 1.927 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.814 16.403 3.243 1.00 0.00 H new ATOM 0 HD13 LEU A 26 4.813 16.953 1.550 1.00 0.00 H new ATOM 0 HD21 LEU A 26 7.184 15.191 0.672 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.020 16.911 0.245 1.00 0.00 H new ATOM 0 HD23 LEU A 26 8.487 16.335 1.071 1.00 0.00 H new ATOM 375 N ASP A 27 5.480 16.725 5.344 1.00 0.00 N ATOM 376 CA ASP A 27 4.202 16.438 5.986 1.00 0.00 C ATOM 377 C ASP A 27 4.404 15.609 7.251 1.00 0.00 C ATOM 378 O ASP A 27 5.073 14.576 7.229 1.00 0.00 O ATOM 379 CB ASP A 27 3.275 15.699 5.020 1.00 0.00 C ATOM 380 CG ASP A 27 1.864 15.569 5.557 1.00 0.00 C ATOM 381 OD1 ASP A 27 1.376 16.533 6.183 1.00 0.00 O ATOM 382 OD2 ASP A 27 1.247 14.502 5.352 1.00 0.00 O ATOM 0 H ASP A 27 6.081 15.911 5.220 1.00 0.00 H new ATOM 0 HA ASP A 27 3.742 17.386 6.263 1.00 0.00 H new ATOM 0 HB2 ASP A 27 3.251 16.229 4.068 1.00 0.00 H new ATOM 0 HB3 ASP A 27 3.678 14.706 4.822 1.00 0.00 H new ATOM 387 N LYS A 28 3.822 16.070 8.353 1.00 0.00 N ATOM 388 CA LYS A 28 3.936 15.372 9.628 1.00 0.00 C ATOM 389 C LYS A 28 3.642 13.884 9.463 1.00 0.00 C ATOM 390 O LYS A 28 4.137 13.055 10.227 1.00 0.00 O ATOM 391 CB LYS A 28 2.978 15.981 10.654 1.00 0.00 C ATOM 392 CG LYS A 28 1.570 15.416 10.582 1.00 0.00 C ATOM 393 CD LYS A 28 1.432 14.156 11.421 1.00 0.00 C ATOM 394 CE LYS A 28 0.970 14.476 12.835 1.00 0.00 C ATOM 395 NZ LYS A 28 1.074 13.292 13.733 1.00 0.00 N ATOM 0 H LYS A 28 3.266 16.925 8.389 1.00 0.00 H new ATOM 0 HA LYS A 28 4.960 15.484 9.984 1.00 0.00 H new ATOM 0 HB2 LYS A 28 3.377 15.814 11.655 1.00 0.00 H new ATOM 0 HB3 LYS A 28 2.936 17.060 10.504 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.858 16.165 10.929 1.00 0.00 H new ATOM 0 HG3 LYS A 28 1.319 15.193 9.545 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.720 13.479 10.949 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.389 13.636 11.459 1.00 0.00 H new ATOM 0 HE2 LYS A 28 1.571 15.291 13.238 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -0.063 14.823 12.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 0.750 13.550 14.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 0.481 12.522 13.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 2.064 12.976 13.777 1.00 0.00 H new ATOM 409 N HIS A 29 2.835 13.553 8.460 1.00 0.00 N ATOM 410 CA HIS A 29 2.477 12.165 8.193 1.00 0.00 C ATOM 411 C HIS A 29 3.724 11.318 7.956 1.00 0.00 C ATOM 412 O HIS A 29 4.115 11.077 6.813 1.00 0.00 O ATOM 413 CB HIS A 29 1.549 12.079 6.981 1.00 0.00 C ATOM 414 CG HIS A 29 0.913 10.734 6.808 1.00 0.00 C ATOM 415 ND1 HIS A 29 -0.091 10.265 7.628 1.00 0.00 N ATOM 416 CD2 HIS A 29 1.143 9.756 5.900 1.00 0.00 C ATOM 417 CE1 HIS A 29 -0.450 9.056 7.234 1.00 0.00 C ATOM 418 NE2 HIS A 29 0.283 8.725 6.186 1.00 0.00 N ATOM 0 H HIS A 29 2.417 14.227 7.819 1.00 0.00 H new ATOM 0 HA HIS A 29 1.956 11.776 9.068 1.00 0.00 H new ATOM 0 HB2 HIS A 29 0.767 12.832 7.078 1.00 0.00 H new ATOM 0 HB3 HIS A 29 2.115 12.322 6.082 1.00 0.00 H new ATOM 0 HD1 HIS A 29 -0.494 10.772 8.416 1.00 0.00 H new ATOM 0 HD2 HIS A 29 1.868 9.782 5.100 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -1.213 8.443 7.691 1.00 0.00 H new ATOM 426 N LEU A 30 4.345 10.871 9.041 1.00 0.00 N ATOM 427 CA LEU A 30 5.549 10.052 8.951 1.00 0.00 C ATOM 428 C LEU A 30 5.238 8.591 9.259 1.00 0.00 C ATOM 429 O LEU A 30 5.728 7.685 8.586 1.00 0.00 O ATOM 430 CB LEU A 30 6.617 10.572 9.915 1.00 0.00 C ATOM 431 CG LEU A 30 7.549 11.651 9.365 1.00 0.00 C ATOM 432 CD1 LEU A 30 8.310 12.326 10.495 1.00 0.00 C ATOM 433 CD2 LEU A 30 8.515 11.056 8.351 1.00 0.00 C ATOM 0 H LEU A 30 4.035 11.062 9.994 1.00 0.00 H new ATOM 0 HA LEU A 30 5.927 10.117 7.931 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.118 10.968 10.799 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.224 9.728 10.242 1.00 0.00 H new ATOM 0 HG LEU A 30 6.943 12.404 8.861 1.00 0.00 H new ATOM 0 HD11 LEU A 30 8.968 13.091 10.084 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.603 12.788 11.185 1.00 0.00 H new ATOM 0 HD13 LEU A 30 8.905 11.584 11.028 1.00 0.00 H new ATOM 0 HD21 LEU A 30 9.171 11.839 7.970 1.00 0.00 H new ATOM 0 HD22 LEU A 30 9.114 10.282 8.830 1.00 0.00 H new ATOM 0 HD23 LEU A 30 7.953 10.620 7.525 1.00 0.00 H new ATOM 445 N GLY A 31 4.416 8.368 10.281 1.00 0.00 N ATOM 446 CA GLY A 31 4.052 7.016 10.659 1.00 0.00 C ATOM 447 C GLY A 31 5.171 6.023 10.413 1.00 0.00 C ATOM 448 O GLY A 31 6.127 5.953 11.185 1.00 0.00 O ATOM 0 H GLY A 31 3.996 9.100 10.853 1.00 0.00 H new ATOM 0 HA2 GLY A 31 3.780 6.998 11.714 1.00 0.00 H new ATOM 0 HA3 GLY A 31 3.169 6.710 10.097 1.00 0.00 H new ATOM 452 N ILE A 32 5.051 5.254 9.336 1.00 0.00 N ATOM 453 CA ILE A 32 6.060 4.260 8.992 1.00 0.00 C ATOM 454 C ILE A 32 6.246 4.167 7.481 1.00 0.00 C ATOM 455 O ILE A 32 5.287 4.199 6.710 1.00 0.00 O ATOM 456 CB ILE A 32 5.691 2.869 9.540 1.00 0.00 C ATOM 457 CG1 ILE A 32 5.578 2.911 11.065 1.00 0.00 C ATOM 458 CG2 ILE A 32 6.724 1.839 9.108 1.00 0.00 C ATOM 459 CD1 ILE A 32 4.577 1.925 11.624 1.00 0.00 C ATOM 0 H ILE A 32 4.265 5.300 8.687 1.00 0.00 H new ATOM 0 HA ILE A 32 6.993 4.585 9.452 1.00 0.00 H new ATOM 0 HB ILE A 32 4.723 2.578 9.131 1.00 0.00 H new ATOM 0 HG12 ILE A 32 6.557 2.708 11.499 1.00 0.00 H new ATOM 0 HG13 ILE A 32 5.295 3.918 11.373 1.00 0.00 H new ATOM 0 HG21 ILE A 32 6.450 0.861 9.503 1.00 0.00 H new ATOM 0 HG22 ILE A 32 6.760 1.794 8.020 1.00 0.00 H new ATOM 0 HG23 ILE A 32 7.704 2.123 9.492 1.00 0.00 H new ATOM 0 HD11 ILE A 32 4.550 2.010 12.710 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.589 2.140 11.218 1.00 0.00 H new ATOM 0 HD13 ILE A 32 4.870 0.912 11.347 1.00 0.00 H new ATOM 471 N PRO A 33 7.510 4.046 7.047 1.00 0.00 N ATOM 472 CA PRO A 33 7.851 3.942 5.625 1.00 0.00 C ATOM 473 C PRO A 33 7.412 2.614 5.019 1.00 0.00 C ATOM 474 O PRO A 33 7.082 1.670 5.738 1.00 0.00 O ATOM 475 CB PRO A 33 9.378 4.055 5.618 1.00 0.00 C ATOM 476 CG PRO A 33 9.798 3.587 6.968 1.00 0.00 C ATOM 477 CD PRO A 33 8.702 4.001 7.910 1.00 0.00 C ATOM 0 HA PRO A 33 7.350 4.705 5.029 1.00 0.00 H new ATOM 0 HB2 PRO A 33 9.817 3.441 4.832 1.00 0.00 H new ATOM 0 HB3 PRO A 33 9.698 5.081 5.437 1.00 0.00 H new ATOM 0 HG2 PRO A 33 9.936 2.506 6.981 1.00 0.00 H new ATOM 0 HG3 PRO A 33 10.750 4.033 7.257 1.00 0.00 H new ATOM 0 HD2 PRO A 33 8.581 3.287 8.725 1.00 0.00 H new ATOM 0 HD3 PRO A 33 8.907 4.971 8.363 1.00 0.00 H new ATOM 485 N CYS A 34 7.411 2.546 3.692 1.00 0.00 N ATOM 486 CA CYS A 34 7.013 1.333 2.988 1.00 0.00 C ATOM 487 C CYS A 34 8.049 0.229 3.177 1.00 0.00 C ATOM 488 O CYS A 34 9.215 0.501 3.460 1.00 0.00 O ATOM 489 CB CYS A 34 6.826 1.622 1.497 1.00 0.00 C ATOM 490 SG CYS A 34 6.030 0.269 0.572 1.00 0.00 S ATOM 0 H CYS A 34 7.682 3.317 3.082 1.00 0.00 H new ATOM 0 HA CYS A 34 6.066 0.994 3.408 1.00 0.00 H new ATOM 0 HB2 CYS A 34 6.227 2.526 1.385 1.00 0.00 H new ATOM 0 HB3 CYS A 34 7.800 1.828 1.053 1.00 0.00 H new ATOM 495 N ASN A 35 7.614 -1.016 3.018 1.00 0.00 N ATOM 496 CA ASN A 35 8.504 -2.162 3.172 1.00 0.00 C ATOM 497 C ASN A 35 9.024 -2.632 1.817 1.00 0.00 C ATOM 498 O ASN A 35 10.025 -3.343 1.738 1.00 0.00 O ATOM 499 CB ASN A 35 7.776 -3.308 3.876 1.00 0.00 C ATOM 500 CG ASN A 35 8.720 -4.413 4.310 1.00 0.00 C ATOM 501 OD1 ASN A 35 9.279 -5.129 3.479 1.00 0.00 O ATOM 502 ND2 ASN A 35 8.902 -4.556 5.618 1.00 0.00 N ATOM 0 H ASN A 35 6.651 -1.258 2.783 1.00 0.00 H new ATOM 0 HA ASN A 35 9.354 -1.852 3.780 1.00 0.00 H new ATOM 0 HB2 ASN A 35 7.250 -2.919 4.748 1.00 0.00 H new ATOM 0 HB3 ASN A 35 7.021 -3.721 3.207 1.00 0.00 H new ATOM 0 HD21 ASN A 35 9.526 -5.282 5.970 1.00 0.00 H new ATOM 0 HD22 ASN A 35 8.418 -3.940 6.271 1.00 0.00 H new ATOM 509 N ASN A 36 8.338 -2.228 0.753 1.00 0.00 N ATOM 510 CA ASN A 36 8.731 -2.607 -0.600 1.00 0.00 C ATOM 511 C ASN A 36 9.559 -1.506 -1.255 1.00 0.00 C ATOM 512 O ASN A 36 10.777 -1.626 -1.388 1.00 0.00 O ATOM 513 CB ASN A 36 7.493 -2.904 -1.449 1.00 0.00 C ATOM 514 CG ASN A 36 7.819 -3.731 -2.677 1.00 0.00 C ATOM 515 OD1 ASN A 36 7.514 -4.923 -2.735 1.00 0.00 O ATOM 516 ND2 ASN A 36 8.442 -3.101 -3.666 1.00 0.00 N ATOM 0 H ASN A 36 7.507 -1.638 0.801 1.00 0.00 H new ATOM 0 HA ASN A 36 9.343 -3.507 -0.535 1.00 0.00 H new ATOM 0 HB2 ASN A 36 6.758 -3.433 -0.842 1.00 0.00 H new ATOM 0 HB3 ASN A 36 7.034 -1.965 -1.758 1.00 0.00 H new ATOM 0 HD21 ASN A 36 8.687 -3.606 -4.518 1.00 0.00 H new ATOM 0 HD22 ASN A 36 8.675 -2.112 -3.574 1.00 0.00 H new ATOM 523 N CYS A 37 8.889 -0.433 -1.662 1.00 0.00 N ATOM 524 CA CYS A 37 9.561 0.691 -2.303 1.00 0.00 C ATOM 525 C CYS A 37 10.155 1.635 -1.262 1.00 0.00 C ATOM 526 O CYS A 37 10.699 2.687 -1.599 1.00 0.00 O ATOM 527 CB CYS A 37 8.583 1.453 -3.199 1.00 0.00 C ATOM 528 SG CYS A 37 7.193 2.217 -2.303 1.00 0.00 S ATOM 0 H CYS A 37 7.881 -0.318 -1.559 1.00 0.00 H new ATOM 0 HA CYS A 37 10.372 0.296 -2.915 1.00 0.00 H new ATOM 0 HB2 CYS A 37 9.128 2.231 -3.734 1.00 0.00 H new ATOM 0 HB3 CYS A 37 8.186 0.769 -3.949 1.00 0.00 H new ATOM 533 N LYS A 38 10.049 1.252 0.006 1.00 0.00 N ATOM 534 CA LYS A 38 10.576 2.062 1.098 1.00 0.00 C ATOM 535 C LYS A 38 10.245 3.536 0.891 1.00 0.00 C ATOM 536 O LYS A 38 10.976 4.415 1.347 1.00 0.00 O ATOM 537 CB LYS A 38 12.092 1.879 1.209 1.00 0.00 C ATOM 538 CG LYS A 38 12.519 0.433 1.385 1.00 0.00 C ATOM 539 CD LYS A 38 12.170 -0.088 2.769 1.00 0.00 C ATOM 540 CE LYS A 38 13.134 -1.177 3.214 1.00 0.00 C ATOM 541 NZ LYS A 38 12.661 -2.533 2.817 1.00 0.00 N ATOM 0 H LYS A 38 9.602 0.384 0.303 1.00 0.00 H new ATOM 0 HA LYS A 38 10.107 1.729 2.024 1.00 0.00 H new ATOM 0 HB2 LYS A 38 12.565 2.282 0.313 1.00 0.00 H new ATOM 0 HB3 LYS A 38 12.459 2.463 2.053 1.00 0.00 H new ATOM 0 HG2 LYS A 38 12.033 -0.185 0.630 1.00 0.00 H new ATOM 0 HG3 LYS A 38 13.594 0.348 1.224 1.00 0.00 H new ATOM 0 HD2 LYS A 38 12.192 0.734 3.485 1.00 0.00 H new ATOM 0 HD3 LYS A 38 11.153 -0.480 2.766 1.00 0.00 H new ATOM 0 HE2 LYS A 38 14.116 -0.993 2.778 1.00 0.00 H new ATOM 0 HE3 LYS A 38 13.253 -1.136 4.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 12.675 -3.162 3.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 11.691 -2.468 2.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 13.286 -2.917 2.080 1.00 0.00 H new ATOM 555 N GLN A 39 9.138 3.798 0.202 1.00 0.00 N ATOM 556 CA GLN A 39 8.711 5.167 -0.063 1.00 0.00 C ATOM 557 C GLN A 39 8.536 5.945 1.237 1.00 0.00 C ATOM 558 O GLN A 39 7.703 5.596 2.074 1.00 0.00 O ATOM 559 CB GLN A 39 7.401 5.170 -0.853 1.00 0.00 C ATOM 560 CG GLN A 39 6.826 6.560 -1.073 1.00 0.00 C ATOM 561 CD GLN A 39 5.648 6.561 -2.027 1.00 0.00 C ATOM 562 OE1 GLN A 39 4.943 5.560 -2.161 1.00 0.00 O ATOM 563 NE2 GLN A 39 5.429 7.686 -2.696 1.00 0.00 N ATOM 0 H GLN A 39 8.522 3.081 -0.182 1.00 0.00 H new ATOM 0 HA GLN A 39 9.486 5.654 -0.655 1.00 0.00 H new ATOM 0 HB2 GLN A 39 7.569 4.698 -1.821 1.00 0.00 H new ATOM 0 HB3 GLN A 39 6.667 4.562 -0.325 1.00 0.00 H new ATOM 0 HG2 GLN A 39 6.513 6.975 -0.115 1.00 0.00 H new ATOM 0 HG3 GLN A 39 7.606 7.214 -1.464 1.00 0.00 H new ATOM 0 HE21 GLN A 39 6.039 8.491 -2.553 1.00 0.00 H new ATOM 0 HE22 GLN A 39 4.651 7.746 -3.353 1.00 0.00 H new ATOM 572 N PHE A 40 9.328 6.999 1.401 1.00 0.00 N ATOM 573 CA PHE A 40 9.262 7.826 2.600 1.00 0.00 C ATOM 574 C PHE A 40 9.574 9.284 2.274 1.00 0.00 C ATOM 575 O PHE A 40 10.576 9.602 1.633 1.00 0.00 O ATOM 576 CB PHE A 40 10.240 7.308 3.657 1.00 0.00 C ATOM 577 CG PHE A 40 9.752 7.490 5.066 1.00 0.00 C ATOM 578 CD1 PHE A 40 8.469 7.108 5.424 1.00 0.00 C ATOM 579 CD2 PHE A 40 10.575 8.045 6.032 1.00 0.00 C ATOM 580 CE1 PHE A 40 8.017 7.274 6.719 1.00 0.00 C ATOM 581 CE2 PHE A 40 10.129 8.214 7.329 1.00 0.00 C ATOM 582 CZ PHE A 40 8.848 7.829 7.673 1.00 0.00 C ATOM 0 H PHE A 40 10.023 7.301 0.718 1.00 0.00 H new ATOM 0 HA PHE A 40 8.247 7.769 2.994 1.00 0.00 H new ATOM 0 HB2 PHE A 40 10.427 6.249 3.480 1.00 0.00 H new ATOM 0 HB3 PHE A 40 11.194 7.823 3.542 1.00 0.00 H new ATOM 0 HD1 PHE A 40 7.815 6.675 4.682 1.00 0.00 H new ATOM 0 HD2 PHE A 40 11.577 8.349 5.768 1.00 0.00 H new ATOM 0 HE1 PHE A 40 7.015 6.970 6.985 1.00 0.00 H new ATOM 0 HE2 PHE A 40 10.782 8.647 8.073 1.00 0.00 H new ATOM 0 HZ PHE A 40 8.497 7.962 8.686 1.00 0.00 H new ATOM 592 N PRO A 41 8.695 10.191 2.724 1.00 0.00 N ATOM 593 CA PRO A 41 7.498 9.824 3.487 1.00 0.00 C ATOM 594 C PRO A 41 6.464 9.102 2.630 1.00 0.00 C ATOM 595 O PRO A 41 6.581 9.057 1.405 1.00 0.00 O ATOM 596 CB PRO A 41 6.952 11.173 3.962 1.00 0.00 C ATOM 597 CG PRO A 41 7.459 12.158 2.966 1.00 0.00 C ATOM 598 CD PRO A 41 8.801 11.646 2.522 1.00 0.00 C ATOM 0 HA PRO A 41 7.727 9.133 4.298 1.00 0.00 H new ATOM 0 HB2 PRO A 41 5.863 11.169 3.996 1.00 0.00 H new ATOM 0 HB3 PRO A 41 7.302 11.410 4.967 1.00 0.00 H new ATOM 0 HG2 PRO A 41 6.776 12.245 2.121 1.00 0.00 H new ATOM 0 HG3 PRO A 41 7.547 13.150 3.409 1.00 0.00 H new ATOM 0 HD2 PRO A 41 9.001 11.893 1.479 1.00 0.00 H new ATOM 0 HD3 PRO A 41 9.610 12.076 3.112 1.00 0.00 H new ATOM 606 N ILE A 42 5.451 8.540 3.282 1.00 0.00 N ATOM 607 CA ILE A 42 4.395 7.822 2.578 1.00 0.00 C ATOM 608 C ILE A 42 3.180 8.715 2.352 1.00 0.00 C ATOM 609 O ILE A 42 2.161 8.576 3.028 1.00 0.00 O ATOM 610 CB ILE A 42 3.957 6.565 3.352 1.00 0.00 C ATOM 611 CG1 ILE A 42 5.070 5.515 3.333 1.00 0.00 C ATOM 612 CG2 ILE A 42 2.676 5.998 2.760 1.00 0.00 C ATOM 613 CD1 ILE A 42 4.660 4.190 3.939 1.00 0.00 C ATOM 0 H ILE A 42 5.339 8.568 4.295 1.00 0.00 H new ATOM 0 HA ILE A 42 4.806 7.521 1.614 1.00 0.00 H new ATOM 0 HB ILE A 42 3.763 6.843 4.388 1.00 0.00 H new ATOM 0 HG12 ILE A 42 5.387 5.352 2.303 1.00 0.00 H new ATOM 0 HG13 ILE A 42 5.933 5.902 3.875 1.00 0.00 H new ATOM 0 HG21 ILE A 42 2.379 5.110 3.318 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.885 6.746 2.821 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.844 5.732 1.717 1.00 0.00 H new ATOM 0 HD11 ILE A 42 5.497 3.494 3.892 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.371 4.340 4.979 1.00 0.00 H new ATOM 0 HD13 ILE A 42 3.816 3.781 3.383 1.00 0.00 H new ATOM 625 N GLU A 43 3.295 9.632 1.396 1.00 0.00 N ATOM 626 CA GLU A 43 2.205 10.547 1.080 1.00 0.00 C ATOM 627 C GLU A 43 0.862 9.823 1.109 1.00 0.00 C ATOM 628 O GLU A 43 -0.046 10.205 1.846 1.00 0.00 O ATOM 629 CB GLU A 43 2.425 11.182 -0.294 1.00 0.00 C ATOM 630 CG GLU A 43 3.705 11.994 -0.391 1.00 0.00 C ATOM 631 CD GLU A 43 3.932 12.563 -1.779 1.00 0.00 C ATOM 632 OE1 GLU A 43 3.114 13.399 -2.217 1.00 0.00 O ATOM 633 OE2 GLU A 43 4.926 12.173 -2.426 1.00 0.00 O ATOM 0 H GLU A 43 4.132 9.761 0.827 1.00 0.00 H new ATOM 0 HA GLU A 43 2.192 11.332 1.837 1.00 0.00 H new ATOM 0 HB2 GLU A 43 2.445 10.396 -1.049 1.00 0.00 H new ATOM 0 HB3 GLU A 43 1.577 11.826 -0.527 1.00 0.00 H new ATOM 0 HG2 GLU A 43 3.669 12.810 0.331 1.00 0.00 H new ATOM 0 HG3 GLU A 43 4.552 11.364 -0.118 1.00 0.00 H new ATOM 640 N GLY A 44 0.743 8.775 0.299 1.00 0.00 N ATOM 641 CA GLY A 44 -0.492 8.015 0.246 1.00 0.00 C ATOM 642 C GLY A 44 -0.833 7.370 1.574 1.00 0.00 C ATOM 643 O GLY A 44 -0.047 7.424 2.520 1.00 0.00 O ATOM 0 H GLY A 44 1.480 8.439 -0.321 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -1.307 8.673 -0.055 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -0.407 7.243 -0.518 1.00 0.00 H new ATOM 647 N LYS A 45 -2.011 6.760 1.648 1.00 0.00 N ATOM 648 CA LYS A 45 -2.457 6.102 2.871 1.00 0.00 C ATOM 649 C LYS A 45 -1.355 5.218 3.446 1.00 0.00 C ATOM 650 O LYS A 45 -0.337 4.978 2.797 1.00 0.00 O ATOM 651 CB LYS A 45 -3.707 5.263 2.596 1.00 0.00 C ATOM 652 CG LYS A 45 -4.998 6.062 2.641 1.00 0.00 C ATOM 653 CD LYS A 45 -5.411 6.375 4.069 1.00 0.00 C ATOM 654 CE LYS A 45 -6.375 7.551 4.126 1.00 0.00 C ATOM 655 NZ LYS A 45 -7.583 7.319 3.287 1.00 0.00 N ATOM 0 H LYS A 45 -2.675 6.707 0.875 1.00 0.00 H new ATOM 0 HA LYS A 45 -2.698 6.874 3.602 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.613 4.796 1.616 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -3.762 4.458 3.329 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.871 6.992 2.086 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -5.791 5.501 2.147 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.880 5.497 4.514 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -4.526 6.600 4.664 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -6.678 7.723 5.159 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -5.866 8.454 3.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -7.619 8.028 2.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -7.539 6.367 2.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -8.436 7.400 3.877 1.00 0.00 H new ATOM 669 N CYS A 46 -1.566 4.736 4.666 1.00 0.00 N ATOM 670 CA CYS A 46 -0.590 3.877 5.328 1.00 0.00 C ATOM 671 C CYS A 46 -1.200 2.522 5.667 1.00 0.00 C ATOM 672 O CYS A 46 -2.208 2.441 6.371 1.00 0.00 O ATOM 673 CB CYS A 46 -0.069 4.549 6.600 1.00 0.00 C ATOM 674 SG CYS A 46 1.381 5.597 6.340 1.00 0.00 S ATOM 0 H CYS A 46 -2.404 4.925 5.217 1.00 0.00 H new ATOM 0 HA CYS A 46 0.242 3.718 4.642 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -0.867 5.152 7.032 1.00 0.00 H new ATOM 0 HB3 CYS A 46 0.179 3.778 7.330 1.00 0.00 H new ATOM 0 HG CYS A 46 1.013 6.843 6.290 1.00 0.00 H new ATOM 680 N TYR A 47 -0.585 1.459 5.161 1.00 0.00 N ATOM 681 CA TYR A 47 -1.070 0.106 5.407 1.00 0.00 C ATOM 682 C TYR A 47 -0.011 -0.732 6.118 1.00 0.00 C ATOM 683 O TYR A 47 1.187 -0.477 5.992 1.00 0.00 O ATOM 684 CB TYR A 47 -1.467 -0.564 4.090 1.00 0.00 C ATOM 685 CG TYR A 47 -2.404 0.270 3.246 1.00 0.00 C ATOM 686 CD1 TYR A 47 -1.988 1.474 2.693 1.00 0.00 C ATOM 687 CD2 TYR A 47 -3.707 -0.148 3.000 1.00 0.00 C ATOM 688 CE1 TYR A 47 -2.841 2.239 1.922 1.00 0.00 C ATOM 689 CE2 TYR A 47 -4.567 0.609 2.229 1.00 0.00 C ATOM 690 CZ TYR A 47 -4.130 1.802 1.692 1.00 0.00 C ATOM 691 OH TYR A 47 -4.982 2.561 0.923 1.00 0.00 O ATOM 0 H TYR A 47 0.250 1.508 4.578 1.00 0.00 H new ATOM 0 HA TYR A 47 -1.947 0.174 6.051 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -0.566 -0.778 3.515 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -1.941 -1.521 4.307 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -0.980 1.818 2.869 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -4.053 -1.081 3.419 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -2.501 3.174 1.501 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -5.576 0.269 2.048 1.00 0.00 H new ATOM 0 HH TYR A 47 -5.851 2.112 0.857 1.00 0.00 H new ATOM 701 N LYS A 48 -0.462 -1.734 6.864 1.00 0.00 N ATOM 702 CA LYS A 48 0.444 -2.613 7.594 1.00 0.00 C ATOM 703 C LYS A 48 -0.119 -4.028 7.676 1.00 0.00 C ATOM 704 O LYS A 48 -1.329 -4.220 7.798 1.00 0.00 O ATOM 705 CB LYS A 48 0.690 -2.069 9.003 1.00 0.00 C ATOM 706 CG LYS A 48 -0.518 -2.178 9.917 1.00 0.00 C ATOM 707 CD LYS A 48 -0.286 -1.461 11.236 1.00 0.00 C ATOM 708 CE LYS A 48 0.331 -2.386 12.274 1.00 0.00 C ATOM 709 NZ LYS A 48 -0.641 -3.405 12.757 1.00 0.00 N ATOM 0 H LYS A 48 -1.450 -1.958 6.979 1.00 0.00 H new ATOM 0 HA LYS A 48 1.390 -2.648 7.054 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.524 -2.609 9.451 1.00 0.00 H new ATOM 0 HB3 LYS A 48 0.988 -1.023 8.932 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -1.391 -1.754 9.420 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -0.738 -3.229 10.107 1.00 0.00 H new ATOM 0 HD2 LYS A 48 0.369 -0.605 11.075 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -1.233 -1.072 11.611 1.00 0.00 H new ATOM 0 HE2 LYS A 48 1.198 -2.887 11.844 1.00 0.00 H new ATOM 0 HE3 LYS A 48 0.689 -1.797 13.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -0.312 -3.797 13.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -1.572 -2.961 12.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -0.719 -4.170 12.057 1.00 0.00 H new ATOM 723 N CYS A 49 0.766 -5.017 7.610 1.00 0.00 N ATOM 724 CA CYS A 49 0.359 -6.415 7.677 1.00 0.00 C ATOM 725 C CYS A 49 0.177 -6.859 9.126 1.00 0.00 C ATOM 726 O CYS A 49 1.072 -6.695 9.955 1.00 0.00 O ATOM 727 CB CYS A 49 1.395 -7.304 6.986 1.00 0.00 C ATOM 728 SG CYS A 49 0.884 -9.044 6.814 1.00 0.00 S ATOM 0 H CYS A 49 1.771 -4.875 7.510 1.00 0.00 H new ATOM 0 HA CYS A 49 -0.596 -6.515 7.162 1.00 0.00 H new ATOM 0 HB2 CYS A 49 1.604 -6.898 5.996 1.00 0.00 H new ATOM 0 HB3 CYS A 49 2.327 -7.264 7.550 1.00 0.00 H new ATOM 733 N THR A 50 -0.989 -7.424 9.424 1.00 0.00 N ATOM 734 CA THR A 50 -1.290 -7.891 10.771 1.00 0.00 C ATOM 735 C THR A 50 -0.921 -9.361 10.938 1.00 0.00 C ATOM 736 O THR A 50 -1.274 -9.988 11.936 1.00 0.00 O ATOM 737 CB THR A 50 -2.781 -7.706 11.110 1.00 0.00 C ATOM 738 OG1 THR A 50 -3.558 -8.727 10.476 1.00 0.00 O ATOM 739 CG2 THR A 50 -3.271 -6.337 10.664 1.00 0.00 C ATOM 0 H THR A 50 -1.741 -7.569 8.750 1.00 0.00 H new ATOM 0 HA THR A 50 -0.692 -7.289 11.455 1.00 0.00 H new ATOM 0 HB THR A 50 -2.897 -7.781 12.191 1.00 0.00 H new ATOM 0 HG1 THR A 50 -4.504 -8.603 10.698 1.00 0.00 H new ATOM 0 HG21 THR A 50 -4.326 -6.229 10.914 1.00 0.00 H new ATOM 0 HG22 THR A 50 -2.697 -5.562 11.172 1.00 0.00 H new ATOM 0 HG23 THR A 50 -3.141 -6.237 9.586 1.00 0.00 H new ATOM 747 N GLU A 51 -0.209 -9.903 9.955 1.00 0.00 N ATOM 748 CA GLU A 51 0.206 -11.300 9.995 1.00 0.00 C ATOM 749 C GLU A 51 1.728 -11.416 9.984 1.00 0.00 C ATOM 750 O GLU A 51 2.292 -12.386 10.490 1.00 0.00 O ATOM 751 CB GLU A 51 -0.383 -12.065 8.808 1.00 0.00 C ATOM 752 CG GLU A 51 -1.902 -12.063 8.776 1.00 0.00 C ATOM 753 CD GLU A 51 -2.473 -13.306 8.122 1.00 0.00 C ATOM 754 OE1 GLU A 51 -2.168 -14.420 8.598 1.00 0.00 O ATOM 755 OE2 GLU A 51 -3.224 -13.166 7.134 1.00 0.00 O ATOM 0 H GLU A 51 0.092 -9.397 9.122 1.00 0.00 H new ATOM 0 HA GLU A 51 -0.168 -11.737 10.921 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -0.008 -11.628 7.883 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -0.030 -13.096 8.840 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -2.283 -11.985 9.794 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -2.249 -11.181 8.237 1.00 0.00 H new ATOM 762 N CYS A 52 2.387 -10.419 9.403 1.00 0.00 N ATOM 763 CA CYS A 52 3.842 -10.407 9.324 1.00 0.00 C ATOM 764 C CYS A 52 4.443 -9.609 10.478 1.00 0.00 C ATOM 765 O CYS A 52 3.728 -9.156 11.371 1.00 0.00 O ATOM 766 CB CYS A 52 4.297 -9.814 7.989 1.00 0.00 C ATOM 767 SG CYS A 52 4.093 -10.936 6.569 1.00 0.00 S ATOM 0 H CYS A 52 1.935 -9.608 8.980 1.00 0.00 H new ATOM 0 HA CYS A 52 4.193 -11.437 9.395 1.00 0.00 H new ATOM 0 HB2 CYS A 52 3.735 -8.900 7.799 1.00 0.00 H new ATOM 0 HB3 CYS A 52 5.347 -9.532 8.068 1.00 0.00 H new ATOM 772 N ILE A 53 5.761 -9.443 10.452 1.00 0.00 N ATOM 773 CA ILE A 53 6.458 -8.699 11.494 1.00 0.00 C ATOM 774 C ILE A 53 7.130 -7.454 10.926 1.00 0.00 C ATOM 775 O ILE A 53 7.815 -7.518 9.906 1.00 0.00 O ATOM 776 CB ILE A 53 7.521 -9.569 12.191 1.00 0.00 C ATOM 777 CG1 ILE A 53 6.883 -10.844 12.748 1.00 0.00 C ATOM 778 CG2 ILE A 53 8.203 -8.784 13.302 1.00 0.00 C ATOM 779 CD1 ILE A 53 5.859 -10.584 13.831 1.00 0.00 C ATOM 0 H ILE A 53 6.368 -9.814 9.721 1.00 0.00 H new ATOM 0 HA ILE A 53 5.706 -8.401 12.225 1.00 0.00 H new ATOM 0 HB ILE A 53 8.275 -9.853 11.457 1.00 0.00 H new ATOM 0 HG12 ILE A 53 6.407 -11.389 11.933 1.00 0.00 H new ATOM 0 HG13 ILE A 53 7.666 -11.488 13.147 1.00 0.00 H new ATOM 0 HG21 ILE A 53 8.951 -9.412 13.785 1.00 0.00 H new ATOM 0 HG22 ILE A 53 8.686 -7.903 12.881 1.00 0.00 H new ATOM 0 HG23 ILE A 53 7.460 -8.474 14.037 1.00 0.00 H new ATOM 0 HD11 ILE A 53 5.449 -11.532 14.179 1.00 0.00 H new ATOM 0 HD12 ILE A 53 6.334 -10.067 14.664 1.00 0.00 H new ATOM 0 HD13 ILE A 53 5.055 -9.966 13.431 1.00 0.00 H new ATOM 791 N GLU A 54 6.929 -6.323 11.595 1.00 0.00 N ATOM 792 CA GLU A 54 7.517 -5.062 11.156 1.00 0.00 C ATOM 793 C GLU A 54 7.346 -4.877 9.651 1.00 0.00 C ATOM 794 O GLU A 54 8.311 -4.610 8.934 1.00 0.00 O ATOM 795 CB GLU A 54 9.002 -5.012 11.522 1.00 0.00 C ATOM 796 CG GLU A 54 9.266 -5.140 13.013 1.00 0.00 C ATOM 797 CD GLU A 54 10.680 -4.744 13.391 1.00 0.00 C ATOM 798 OE1 GLU A 54 11.094 -3.619 13.040 1.00 0.00 O ATOM 799 OE2 GLU A 54 11.372 -5.557 14.037 1.00 0.00 O ATOM 0 H GLU A 54 6.364 -6.254 12.442 1.00 0.00 H new ATOM 0 HA GLU A 54 6.997 -4.251 11.666 1.00 0.00 H new ATOM 0 HB2 GLU A 54 9.524 -5.814 10.999 1.00 0.00 H new ATOM 0 HB3 GLU A 54 9.424 -4.072 11.166 1.00 0.00 H new ATOM 0 HG2 GLU A 54 8.559 -4.514 13.558 1.00 0.00 H new ATOM 0 HG3 GLU A 54 9.086 -6.169 13.323 1.00 0.00 H new ATOM 806 N TYR A 55 6.113 -5.021 9.179 1.00 0.00 N ATOM 807 CA TYR A 55 5.815 -4.873 7.760 1.00 0.00 C ATOM 808 C TYR A 55 4.799 -3.758 7.530 1.00 0.00 C ATOM 809 O TYR A 55 3.771 -3.691 8.203 1.00 0.00 O ATOM 810 CB TYR A 55 5.283 -6.189 7.189 1.00 0.00 C ATOM 811 CG TYR A 55 5.517 -6.342 5.703 1.00 0.00 C ATOM 812 CD1 TYR A 55 6.696 -6.895 5.219 1.00 0.00 C ATOM 813 CD2 TYR A 55 4.559 -5.933 4.783 1.00 0.00 C ATOM 814 CE1 TYR A 55 6.914 -7.037 3.862 1.00 0.00 C ATOM 815 CE2 TYR A 55 4.768 -6.073 3.424 1.00 0.00 C ATOM 816 CZ TYR A 55 5.948 -6.625 2.969 1.00 0.00 C ATOM 817 OH TYR A 55 6.160 -6.764 1.617 1.00 0.00 O ATOM 0 H TYR A 55 5.303 -5.240 9.759 1.00 0.00 H new ATOM 0 HA TYR A 55 6.739 -4.609 7.246 1.00 0.00 H new ATOM 0 HB2 TYR A 55 5.758 -7.020 7.711 1.00 0.00 H new ATOM 0 HB3 TYR A 55 4.214 -6.256 7.389 1.00 0.00 H new ATOM 0 HD1 TYR A 55 7.455 -7.219 5.915 1.00 0.00 H new ATOM 0 HD2 TYR A 55 3.635 -5.498 5.136 1.00 0.00 H new ATOM 0 HE1 TYR A 55 7.837 -7.469 3.503 1.00 0.00 H new ATOM 0 HE2 TYR A 55 4.012 -5.752 2.722 1.00 0.00 H new ATOM 0 HH TYR A 55 5.381 -6.426 1.127 1.00 0.00 H new ATOM 827 N HIS A 56 5.095 -2.885 6.572 1.00 0.00 N ATOM 828 CA HIS A 56 4.208 -1.773 6.250 1.00 0.00 C ATOM 829 C HIS A 56 4.284 -1.429 4.766 1.00 0.00 C ATOM 830 O HIS A 56 5.360 -1.454 4.166 1.00 0.00 O ATOM 831 CB HIS A 56 4.569 -0.547 7.089 1.00 0.00 C ATOM 832 CG HIS A 56 4.684 -0.836 8.554 1.00 0.00 C ATOM 833 ND1 HIS A 56 5.805 -1.403 9.123 1.00 0.00 N ATOM 834 CD2 HIS A 56 3.811 -0.632 9.568 1.00 0.00 C ATOM 835 CE1 HIS A 56 5.616 -1.537 10.424 1.00 0.00 C ATOM 836 NE2 HIS A 56 4.414 -1.076 10.720 1.00 0.00 N ATOM 0 H HIS A 56 5.942 -2.926 6.005 1.00 0.00 H new ATOM 0 HA HIS A 56 3.187 -2.076 6.482 1.00 0.00 H new ATOM 0 HB2 HIS A 56 5.515 -0.139 6.732 1.00 0.00 H new ATOM 0 HB3 HIS A 56 3.812 0.222 6.937 1.00 0.00 H new ATOM 0 HD2 HIS A 56 2.824 -0.201 9.487 1.00 0.00 H new ATOM 0 HE1 HIS A 56 6.324 -1.953 11.126 1.00 0.00 H new ATOM 0 HE2 HIS A 56 4.001 -1.053 11.652 1.00 0.00 H new ATOM 844 N LEU A 57 3.137 -1.108 4.178 1.00 0.00 N ATOM 845 CA LEU A 57 3.073 -0.760 2.763 1.00 0.00 C ATOM 846 C LEU A 57 2.503 0.642 2.573 1.00 0.00 C ATOM 847 O LEU A 57 2.090 1.292 3.534 1.00 0.00 O ATOM 848 CB LEU A 57 2.220 -1.778 2.005 1.00 0.00 C ATOM 849 CG LEU A 57 2.939 -3.044 1.541 1.00 0.00 C ATOM 850 CD1 LEU A 57 1.983 -3.957 0.789 1.00 0.00 C ATOM 851 CD2 LEU A 57 4.136 -2.689 0.670 1.00 0.00 C ATOM 0 H LEU A 57 2.238 -1.081 4.659 1.00 0.00 H new ATOM 0 HA LEU A 57 4.087 -0.777 2.363 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.387 -2.071 2.644 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.794 -1.286 1.131 1.00 0.00 H new ATOM 0 HG LEU A 57 3.300 -3.576 2.421 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.513 -4.853 0.467 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.159 -4.239 1.444 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.591 -3.434 -0.083 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.636 -3.603 0.349 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.798 -2.134 -0.205 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.833 -2.076 1.242 1.00 0.00 H new ATOM 863 N CYS A 58 2.480 1.102 1.326 1.00 0.00 N ATOM 864 CA CYS A 58 1.959 2.426 1.008 1.00 0.00 C ATOM 865 C CYS A 58 0.809 2.332 0.010 1.00 0.00 C ATOM 866 O CYS A 58 0.764 1.420 -0.816 1.00 0.00 O ATOM 867 CB CYS A 58 3.070 3.312 0.441 1.00 0.00 C ATOM 868 SG CYS A 58 3.781 2.704 -1.122 1.00 0.00 S ATOM 0 H CYS A 58 2.816 0.577 0.519 1.00 0.00 H new ATOM 0 HA CYS A 58 1.583 2.872 1.929 1.00 0.00 H new ATOM 0 HB2 CYS A 58 2.674 4.315 0.282 1.00 0.00 H new ATOM 0 HB3 CYS A 58 3.866 3.397 1.181 1.00 0.00 H new ATOM 873 N GLN A 59 -0.119 3.280 0.093 1.00 0.00 N ATOM 874 CA GLN A 59 -1.269 3.304 -0.803 1.00 0.00 C ATOM 875 C GLN A 59 -0.878 2.843 -2.203 1.00 0.00 C ATOM 876 O GLN A 59 -1.610 2.091 -2.845 1.00 0.00 O ATOM 877 CB GLN A 59 -1.865 4.711 -0.864 1.00 0.00 C ATOM 878 CG GLN A 59 -2.877 4.895 -1.984 1.00 0.00 C ATOM 879 CD GLN A 59 -4.159 4.121 -1.744 1.00 0.00 C ATOM 880 OE1 GLN A 59 -5.137 4.663 -1.229 1.00 0.00 O ATOM 881 NE2 GLN A 59 -4.160 2.847 -2.118 1.00 0.00 N ATOM 0 H GLN A 59 -0.097 4.041 0.771 1.00 0.00 H new ATOM 0 HA GLN A 59 -2.018 2.617 -0.410 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -2.345 4.935 0.089 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -1.059 5.433 -0.992 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -3.111 5.955 -2.087 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -2.433 4.573 -2.926 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -3.326 2.439 -2.541 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -4.994 2.276 -1.982 1.00 0.00 H new ATOM 890 N GLU A 60 0.280 3.299 -2.669 1.00 0.00 N ATOM 891 CA GLU A 60 0.767 2.934 -3.995 1.00 0.00 C ATOM 892 C GLU A 60 0.934 1.422 -4.115 1.00 0.00 C ATOM 893 O GLU A 60 0.212 0.763 -4.864 1.00 0.00 O ATOM 894 CB GLU A 60 2.098 3.630 -4.283 1.00 0.00 C ATOM 895 CG GLU A 60 2.325 3.924 -5.757 1.00 0.00 C ATOM 896 CD GLU A 60 3.447 4.917 -5.988 1.00 0.00 C ATOM 897 OE1 GLU A 60 4.611 4.577 -5.693 1.00 0.00 O ATOM 898 OE2 GLU A 60 3.160 6.035 -6.465 1.00 0.00 O ATOM 0 H GLU A 60 0.898 3.921 -2.149 1.00 0.00 H new ATOM 0 HA GLU A 60 0.029 3.260 -4.728 1.00 0.00 H new ATOM 0 HB2 GLU A 60 2.138 4.565 -3.724 1.00 0.00 H new ATOM 0 HB3 GLU A 60 2.912 3.005 -3.916 1.00 0.00 H new ATOM 0 HG2 GLU A 60 2.555 2.994 -6.278 1.00 0.00 H new ATOM 0 HG3 GLU A 60 1.405 4.314 -6.192 1.00 0.00 H new ATOM 905 N CYS A 61 1.892 0.878 -3.372 1.00 0.00 N ATOM 906 CA CYS A 61 2.157 -0.555 -3.394 1.00 0.00 C ATOM 907 C CYS A 61 0.872 -1.350 -3.182 1.00 0.00 C ATOM 908 O CYS A 61 0.721 -2.457 -3.698 1.00 0.00 O ATOM 909 CB CYS A 61 3.180 -0.923 -2.318 1.00 0.00 C ATOM 910 SG CYS A 61 4.908 -0.587 -2.788 1.00 0.00 S ATOM 0 H CYS A 61 2.498 1.409 -2.747 1.00 0.00 H new ATOM 0 HA CYS A 61 2.563 -0.808 -4.373 1.00 0.00 H new ATOM 0 HB2 CYS A 61 2.948 -0.370 -1.408 1.00 0.00 H new ATOM 0 HB3 CYS A 61 3.078 -1.982 -2.082 1.00 0.00 H new ATOM 915 N PHE A 62 -0.053 -0.776 -2.419 1.00 0.00 N ATOM 916 CA PHE A 62 -1.325 -1.429 -2.138 1.00 0.00 C ATOM 917 C PHE A 62 -2.161 -1.564 -3.408 1.00 0.00 C ATOM 918 O PHE A 62 -2.897 -2.535 -3.579 1.00 0.00 O ATOM 919 CB PHE A 62 -2.105 -0.642 -1.082 1.00 0.00 C ATOM 920 CG PHE A 62 -3.216 -1.429 -0.447 1.00 0.00 C ATOM 921 CD1 PHE A 62 -2.948 -2.344 0.558 1.00 0.00 C ATOM 922 CD2 PHE A 62 -4.528 -1.253 -0.856 1.00 0.00 C ATOM 923 CE1 PHE A 62 -3.968 -3.069 1.145 1.00 0.00 C ATOM 924 CE2 PHE A 62 -5.552 -1.975 -0.273 1.00 0.00 C ATOM 925 CZ PHE A 62 -5.272 -2.885 0.728 1.00 0.00 C ATOM 0 H PHE A 62 0.055 0.140 -1.984 1.00 0.00 H new ATOM 0 HA PHE A 62 -1.114 -2.428 -1.755 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -1.416 -0.310 -0.305 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -2.522 0.254 -1.542 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -1.930 -2.493 0.887 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -4.753 -0.544 -1.639 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -3.746 -3.778 1.929 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -6.571 -1.828 -0.600 1.00 0.00 H new ATOM 0 HZ PHE A 62 -6.071 -3.451 1.184 1.00 0.00 H new ATOM 935 N ASP A 63 -2.040 -0.581 -4.294 1.00 0.00 N ATOM 936 CA ASP A 63 -2.783 -0.589 -5.549 1.00 0.00 C ATOM 937 C ASP A 63 -2.516 -1.871 -6.331 1.00 0.00 C ATOM 938 O ASP A 63 -3.342 -2.303 -7.135 1.00 0.00 O ATOM 939 CB ASP A 63 -2.407 0.627 -6.396 1.00 0.00 C ATOM 940 CG ASP A 63 -3.013 0.576 -7.785 1.00 0.00 C ATOM 941 OD1 ASP A 63 -4.119 0.013 -7.929 1.00 0.00 O ATOM 942 OD2 ASP A 63 -2.382 1.099 -8.727 1.00 0.00 O ATOM 0 H ASP A 63 -1.435 0.230 -4.167 1.00 0.00 H new ATOM 0 HA ASP A 63 -3.846 -0.544 -5.313 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -2.739 1.534 -5.891 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -1.322 0.687 -6.478 1.00 0.00 H new ATOM 947 N SER A 64 -1.357 -2.475 -6.089 1.00 0.00 N ATOM 948 CA SER A 64 -0.979 -3.706 -6.774 1.00 0.00 C ATOM 949 C SER A 64 -1.620 -4.918 -6.107 1.00 0.00 C ATOM 950 O SER A 64 -1.674 -6.004 -6.685 1.00 0.00 O ATOM 951 CB SER A 64 0.543 -3.861 -6.786 1.00 0.00 C ATOM 952 OG SER A 64 0.937 -4.964 -7.583 1.00 0.00 O ATOM 0 H SER A 64 -0.664 -2.132 -5.424 1.00 0.00 H new ATOM 0 HA SER A 64 -1.339 -3.646 -7.801 1.00 0.00 H new ATOM 0 HB2 SER A 64 1.001 -2.949 -7.169 1.00 0.00 H new ATOM 0 HB3 SER A 64 0.906 -3.996 -5.767 1.00 0.00 H new ATOM 0 HG SER A 64 0.220 -5.631 -7.596 1.00 0.00 H new ATOM 958 N TYR A 65 -2.105 -4.725 -4.885 1.00 0.00 N ATOM 959 CA TYR A 65 -2.741 -5.803 -4.136 1.00 0.00 C ATOM 960 C TYR A 65 -1.883 -7.064 -4.162 1.00 0.00 C ATOM 961 O TYR A 65 -2.386 -8.166 -4.380 1.00 0.00 O ATOM 962 CB TYR A 65 -4.126 -6.103 -4.711 1.00 0.00 C ATOM 963 CG TYR A 65 -5.194 -5.136 -4.252 1.00 0.00 C ATOM 964 CD1 TYR A 65 -5.123 -3.787 -4.576 1.00 0.00 C ATOM 965 CD2 TYR A 65 -6.274 -5.571 -3.494 1.00 0.00 C ATOM 966 CE1 TYR A 65 -6.096 -2.899 -4.159 1.00 0.00 C ATOM 967 CE2 TYR A 65 -7.253 -4.691 -3.074 1.00 0.00 C ATOM 968 CZ TYR A 65 -7.159 -3.356 -3.409 1.00 0.00 C ATOM 969 OH TYR A 65 -8.131 -2.476 -2.991 1.00 0.00 O ATOM 0 H TYR A 65 -2.070 -3.833 -4.392 1.00 0.00 H new ATOM 0 HA TYR A 65 -2.847 -5.479 -3.101 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -4.071 -6.081 -5.799 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -4.417 -7.114 -4.427 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -4.292 -3.426 -5.164 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -6.350 -6.615 -3.228 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -6.024 -1.853 -4.419 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -8.087 -5.046 -2.487 1.00 0.00 H new ATOM 0 HH TYR A 65 -8.809 -2.959 -2.474 1.00 0.00 H new ATOM 979 N CYS A 66 -0.585 -6.893 -3.937 1.00 0.00 N ATOM 980 CA CYS A 66 0.345 -8.017 -3.934 1.00 0.00 C ATOM 981 C CYS A 66 0.346 -8.718 -2.580 1.00 0.00 C ATOM 982 O CYS A 66 -0.012 -9.892 -2.476 1.00 0.00 O ATOM 983 CB CYS A 66 1.757 -7.538 -4.275 1.00 0.00 C ATOM 984 SG CYS A 66 2.974 -8.868 -4.413 1.00 0.00 S ATOM 0 H CYS A 66 -0.153 -5.987 -3.754 1.00 0.00 H new ATOM 0 HA CYS A 66 0.018 -8.730 -4.691 1.00 0.00 H new ATOM 0 HB2 CYS A 66 1.726 -6.990 -5.216 1.00 0.00 H new ATOM 0 HB3 CYS A 66 2.086 -6.837 -3.508 1.00 0.00 H new ATOM 0 HG CYS A 66 4.136 -8.364 -4.706 1.00 0.00 H new ATOM 990 N HIS A 67 0.752 -7.992 -1.543 1.00 0.00 N ATOM 991 CA HIS A 67 0.801 -8.545 -0.195 1.00 0.00 C ATOM 992 C HIS A 67 -0.603 -8.690 0.384 1.00 0.00 C ATOM 993 O HIS A 67 -0.798 -9.340 1.413 1.00 0.00 O ATOM 994 CB HIS A 67 1.650 -7.655 0.714 1.00 0.00 C ATOM 995 CG HIS A 67 2.263 -8.387 1.868 1.00 0.00 C ATOM 996 ND1 HIS A 67 3.624 -8.483 2.061 1.00 0.00 N ATOM 997 CD2 HIS A 67 1.690 -9.060 2.893 1.00 0.00 C ATOM 998 CE1 HIS A 67 3.864 -9.185 3.154 1.00 0.00 C ATOM 999 NE2 HIS A 67 2.706 -9.546 3.678 1.00 0.00 N ATOM 0 H HIS A 67 1.052 -7.019 -1.611 1.00 0.00 H new ATOM 0 HA HIS A 67 1.256 -9.534 -0.251 1.00 0.00 H new ATOM 0 HB2 HIS A 67 2.443 -7.197 0.122 1.00 0.00 H new ATOM 0 HB3 HIS A 67 1.030 -6.845 1.097 1.00 0.00 H new ATOM 0 HD1 HIS A 67 4.335 -8.075 1.454 1.00 0.00 H new ATOM 0 HD2 HIS A 67 0.631 -9.190 3.062 1.00 0.00 H new ATOM 0 HE1 HIS A 67 4.840 -9.423 3.551 1.00 0.00 H new ATOM 1007 N LEU A 68 -1.578 -8.082 -0.282 1.00 0.00 N ATOM 1008 CA LEU A 68 -2.965 -8.144 0.166 1.00 0.00 C ATOM 1009 C LEU A 68 -3.324 -9.550 0.635 1.00 0.00 C ATOM 1010 O LEU A 68 -4.248 -9.734 1.427 1.00 0.00 O ATOM 1011 CB LEU A 68 -3.905 -7.714 -0.961 1.00 0.00 C ATOM 1012 CG LEU A 68 -4.251 -6.225 -1.016 1.00 0.00 C ATOM 1013 CD1 LEU A 68 -5.492 -5.935 -0.186 1.00 0.00 C ATOM 1014 CD2 LEU A 68 -3.076 -5.387 -0.534 1.00 0.00 C ATOM 0 H LEU A 68 -1.434 -7.540 -1.134 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.080 -7.461 1.007 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -3.453 -7.997 -1.912 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.833 -8.279 -0.869 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.461 -5.958 -2.052 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -5.723 -4.871 -0.237 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -6.333 -6.508 -0.576 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -5.310 -6.218 0.851 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.340 -4.330 -0.580 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -2.834 -5.656 0.494 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.211 -5.573 -1.171 1.00 0.00 H new ATOM 1026 N SER A 69 -2.586 -10.539 0.141 1.00 0.00 N ATOM 1027 CA SER A 69 -2.828 -11.930 0.508 1.00 0.00 C ATOM 1028 C SER A 69 -3.053 -12.064 2.011 1.00 0.00 C ATOM 1029 O SER A 69 -3.745 -12.974 2.468 1.00 0.00 O ATOM 1030 CB SER A 69 -1.649 -12.805 0.077 1.00 0.00 C ATOM 1031 OG SER A 69 -1.469 -12.762 -1.328 1.00 0.00 O ATOM 0 H SER A 69 -1.816 -10.403 -0.514 1.00 0.00 H new ATOM 0 HA SER A 69 -3.728 -12.265 -0.008 1.00 0.00 H new ATOM 0 HB2 SER A 69 -0.740 -12.466 0.574 1.00 0.00 H new ATOM 0 HB3 SER A 69 -1.821 -13.834 0.394 1.00 0.00 H new ATOM 0 HG SER A 69 -0.709 -13.328 -1.578 1.00 0.00 H new ATOM 1037 N HIS A 70 -2.463 -11.150 2.775 1.00 0.00 N ATOM 1038 CA HIS A 70 -2.598 -11.165 4.227 1.00 0.00 C ATOM 1039 C HIS A 70 -3.577 -10.090 4.692 1.00 0.00 C ATOM 1040 O HIS A 70 -4.075 -9.299 3.890 1.00 0.00 O ATOM 1041 CB HIS A 70 -1.237 -10.953 4.890 1.00 0.00 C ATOM 1042 CG HIS A 70 -0.401 -12.194 4.950 1.00 0.00 C ATOM 1043 ND1 HIS A 70 0.945 -12.181 5.253 1.00 0.00 N ATOM 1044 CD2 HIS A 70 -0.726 -13.492 4.746 1.00 0.00 C ATOM 1045 CE1 HIS A 70 1.411 -13.417 5.231 1.00 0.00 C ATOM 1046 NE2 HIS A 70 0.417 -14.231 4.926 1.00 0.00 N ATOM 0 H HIS A 70 -1.887 -10.390 2.413 1.00 0.00 H new ATOM 0 HA HIS A 70 -2.988 -12.139 4.521 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -0.692 -10.183 4.344 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -1.389 -10.578 5.902 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -1.703 -13.875 4.489 1.00 0.00 H new ATOM 0 HE1 HIS A 70 2.431 -13.711 5.429 1.00 0.00 H new ATOM 0 HE2 HIS A 70 0.487 -15.245 4.838 1.00 0.00 H new ATOM 1054 N THR A 71 -3.849 -10.067 5.993 1.00 0.00 N ATOM 1055 CA THR A 71 -4.768 -9.092 6.565 1.00 0.00 C ATOM 1056 C THR A 71 -4.073 -7.757 6.806 1.00 0.00 C ATOM 1057 O THR A 71 -3.251 -7.629 7.714 1.00 0.00 O ATOM 1058 CB THR A 71 -5.366 -9.594 7.893 1.00 0.00 C ATOM 1059 OG1 THR A 71 -5.766 -10.963 7.763 1.00 0.00 O ATOM 1060 CG2 THR A 71 -6.563 -8.748 8.302 1.00 0.00 C ATOM 0 H THR A 71 -3.445 -10.714 6.671 1.00 0.00 H new ATOM 0 HA THR A 71 -5.572 -8.955 5.842 1.00 0.00 H new ATOM 0 HB THR A 71 -4.601 -9.510 8.665 1.00 0.00 H new ATOM 0 HG1 THR A 71 -6.144 -11.275 8.612 1.00 0.00 H new ATOM 0 HG21 THR A 71 -6.968 -9.122 9.242 1.00 0.00 H new ATOM 0 HG22 THR A 71 -6.250 -7.712 8.428 1.00 0.00 H new ATOM 0 HG23 THR A 71 -7.329 -8.804 7.529 1.00 0.00 H new ATOM 1068 N PHE A 72 -4.409 -6.764 5.990 1.00 0.00 N ATOM 1069 CA PHE A 72 -3.817 -5.437 6.115 1.00 0.00 C ATOM 1070 C PHE A 72 -4.820 -4.446 6.699 1.00 0.00 C ATOM 1071 O PHE A 72 -6.010 -4.741 6.807 1.00 0.00 O ATOM 1072 CB PHE A 72 -3.329 -4.943 4.751 1.00 0.00 C ATOM 1073 CG PHE A 72 -1.904 -5.313 4.454 1.00 0.00 C ATOM 1074 CD1 PHE A 72 -1.451 -6.605 4.667 1.00 0.00 C ATOM 1075 CD2 PHE A 72 -1.017 -4.369 3.962 1.00 0.00 C ATOM 1076 CE1 PHE A 72 -0.141 -6.950 4.394 1.00 0.00 C ATOM 1077 CE2 PHE A 72 0.294 -4.708 3.687 1.00 0.00 C ATOM 1078 CZ PHE A 72 0.733 -5.999 3.904 1.00 0.00 C ATOM 0 H PHE A 72 -5.089 -6.853 5.235 1.00 0.00 H new ATOM 0 HA PHE A 72 -2.967 -5.508 6.794 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -3.972 -5.354 3.973 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -3.431 -3.859 4.709 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -2.130 -7.352 5.051 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -1.354 -3.357 3.792 1.00 0.00 H new ATOM 0 HE1 PHE A 72 0.199 -7.961 4.563 1.00 0.00 H new ATOM 0 HE2 PHE A 72 0.975 -3.963 3.302 1.00 0.00 H new ATOM 0 HZ PHE A 72 1.758 -6.265 3.691 1.00 0.00 H new ATOM 1088 N THR A 73 -4.329 -3.269 7.075 1.00 0.00 N ATOM 1089 CA THR A 73 -5.180 -2.235 7.650 1.00 0.00 C ATOM 1090 C THR A 73 -4.684 -0.844 7.274 1.00 0.00 C ATOM 1091 O THR A 73 -3.498 -0.541 7.404 1.00 0.00 O ATOM 1092 CB THR A 73 -5.244 -2.349 9.184 1.00 0.00 C ATOM 1093 OG1 THR A 73 -3.921 -2.461 9.722 1.00 0.00 O ATOM 1094 CG2 THR A 73 -6.072 -3.554 9.604 1.00 0.00 C ATOM 0 H THR A 73 -3.346 -3.008 6.991 1.00 0.00 H new ATOM 0 HA THR A 73 -6.179 -2.384 7.241 1.00 0.00 H new ATOM 0 HB THR A 73 -5.720 -1.449 9.574 1.00 0.00 H new ATOM 0 HG1 THR A 73 -3.588 -1.570 9.959 1.00 0.00 H new ATOM 0 HG21 THR A 73 -6.102 -3.613 10.692 1.00 0.00 H new ATOM 0 HG22 THR A 73 -7.086 -3.451 9.218 1.00 0.00 H new ATOM 0 HG23 THR A 73 -5.622 -4.462 9.204 1.00 0.00 H new ATOM 1102 N PHE A 74 -5.599 0.000 6.809 1.00 0.00 N ATOM 1103 CA PHE A 74 -5.254 1.361 6.414 1.00 0.00 C ATOM 1104 C PHE A 74 -5.725 2.367 7.461 1.00 0.00 C ATOM 1105 O PHE A 74 -6.780 2.196 8.071 1.00 0.00 O ATOM 1106 CB PHE A 74 -5.874 1.694 5.056 1.00 0.00 C ATOM 1107 CG PHE A 74 -7.317 2.101 5.139 1.00 0.00 C ATOM 1108 CD1 PHE A 74 -7.665 3.417 5.398 1.00 0.00 C ATOM 1109 CD2 PHE A 74 -8.325 1.168 4.957 1.00 0.00 C ATOM 1110 CE1 PHE A 74 -8.993 3.793 5.476 1.00 0.00 C ATOM 1111 CE2 PHE A 74 -9.655 1.539 5.033 1.00 0.00 C ATOM 1112 CZ PHE A 74 -9.989 2.854 5.292 1.00 0.00 C ATOM 0 H PHE A 74 -6.585 -0.234 6.696 1.00 0.00 H new ATOM 0 HA PHE A 74 -4.169 1.425 6.335 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -5.304 2.499 4.593 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -5.787 0.826 4.403 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -6.891 4.156 5.540 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -8.069 0.139 4.753 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -9.252 4.821 5.681 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -10.431 0.802 4.890 1.00 0.00 H new ATOM 0 HZ PHE A 74 -11.027 3.147 5.351 1.00 0.00 H new ATOM 1122 N ARG A 75 -4.934 3.416 7.663 1.00 0.00 N ATOM 1123 CA ARG A 75 -5.268 4.448 8.636 1.00 0.00 C ATOM 1124 C ARG A 75 -5.840 5.683 7.945 1.00 0.00 C ATOM 1125 O ARG A 75 -5.931 5.732 6.719 1.00 0.00 O ATOM 1126 CB ARG A 75 -4.031 4.833 9.449 1.00 0.00 C ATOM 1127 CG ARG A 75 -3.912 4.088 10.768 1.00 0.00 C ATOM 1128 CD ARG A 75 -3.281 4.957 11.844 1.00 0.00 C ATOM 1129 NE ARG A 75 -3.349 4.332 13.162 1.00 0.00 N ATOM 1130 CZ ARG A 75 -3.229 5.004 14.302 1.00 0.00 C ATOM 1131 NH1 ARG A 75 -3.037 6.316 14.284 1.00 0.00 N ATOM 1132 NH2 ARG A 75 -3.302 4.364 15.462 1.00 0.00 N ATOM 0 H ARG A 75 -4.058 3.573 7.166 1.00 0.00 H new ATOM 0 HA ARG A 75 -6.025 4.045 9.309 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -3.140 4.641 8.851 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -4.057 5.904 9.648 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.900 3.763 11.094 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -3.312 3.189 10.626 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -2.239 5.151 11.588 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -3.787 5.922 11.874 1.00 0.00 H new ATOM 0 HE ARG A 75 -3.497 3.324 13.210 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -2.981 6.811 13.394 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -2.945 6.830 15.160 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -3.450 3.355 15.479 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -3.210 4.881 16.336 1.00 0.00 H new ATOM 1146 N GLU A 76 -6.225 6.676 8.741 1.00 0.00 N ATOM 1147 CA GLU A 76 -6.789 7.908 8.204 1.00 0.00 C ATOM 1148 C GLU A 76 -6.126 9.130 8.836 1.00 0.00 C ATOM 1149 O GLU A 76 -5.394 9.015 9.819 1.00 0.00 O ATOM 1150 CB GLU A 76 -8.299 7.952 8.446 1.00 0.00 C ATOM 1151 CG GLU A 76 -9.095 7.092 7.478 1.00 0.00 C ATOM 1152 CD GLU A 76 -9.465 7.834 6.208 1.00 0.00 C ATOM 1153 OE1 GLU A 76 -9.486 9.082 6.236 1.00 0.00 O ATOM 1154 OE2 GLU A 76 -9.733 7.166 5.188 1.00 0.00 O ATOM 0 H GLU A 76 -6.157 6.651 9.758 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.600 7.927 7.131 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -8.505 7.624 9.465 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -8.641 8.984 8.368 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -8.513 6.207 7.221 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -10.004 6.744 7.969 1.00 0.00 H new ATOM 1161 N LYS A 77 -6.389 10.300 8.263 1.00 0.00 N ATOM 1162 CA LYS A 77 -5.820 11.544 8.768 1.00 0.00 C ATOM 1163 C LYS A 77 -5.969 11.634 10.284 1.00 0.00 C ATOM 1164 O LYS A 77 -6.764 10.910 10.883 1.00 0.00 O ATOM 1165 CB LYS A 77 -6.499 12.745 8.106 1.00 0.00 C ATOM 1166 CG LYS A 77 -8.011 12.627 8.037 1.00 0.00 C ATOM 1167 CD LYS A 77 -8.567 13.305 6.796 1.00 0.00 C ATOM 1168 CE LYS A 77 -8.319 12.472 5.547 1.00 0.00 C ATOM 1169 NZ LYS A 77 -8.242 13.317 4.323 1.00 0.00 N ATOM 0 H LYS A 77 -6.993 10.413 7.449 1.00 0.00 H new ATOM 0 HA LYS A 77 -4.758 11.555 8.523 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -6.238 13.648 8.657 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -6.106 12.863 7.096 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -8.295 11.575 8.036 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -8.453 13.076 8.927 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -9.638 13.469 6.919 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -8.106 14.286 6.678 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -7.390 11.913 5.662 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -9.119 11.740 5.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -8.072 12.712 3.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -9.138 13.831 4.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -7.462 13.998 4.420 1.00 0.00 H new ATOM 1183 N ARG A 78 -5.201 12.529 10.897 1.00 0.00 N ATOM 1184 CA ARG A 78 -5.248 12.714 12.342 1.00 0.00 C ATOM 1185 C ARG A 78 -6.683 12.629 12.854 1.00 0.00 C ATOM 1186 O ARG A 78 -7.631 12.921 12.126 1.00 0.00 O ATOM 1187 CB ARG A 78 -4.638 14.063 12.725 1.00 0.00 C ATOM 1188 CG ARG A 78 -4.411 14.227 14.219 1.00 0.00 C ATOM 1189 CD ARG A 78 -3.045 13.705 14.636 1.00 0.00 C ATOM 1190 NE ARG A 78 -2.828 13.827 16.075 1.00 0.00 N ATOM 1191 CZ ARG A 78 -3.263 12.938 16.961 1.00 0.00 C ATOM 1192 NH1 ARG A 78 -3.934 11.868 16.558 1.00 0.00 N ATOM 1193 NH2 ARG A 78 -3.026 13.118 18.254 1.00 0.00 N ATOM 0 H ARG A 78 -4.539 13.137 10.415 1.00 0.00 H new ATOM 0 HA ARG A 78 -4.667 11.916 12.804 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -3.687 14.182 12.206 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -5.294 14.861 12.376 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -4.497 15.280 14.488 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -5.188 13.694 14.767 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -2.952 12.659 14.343 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -2.269 14.256 14.104 1.00 0.00 H new ATOM 0 HE ARG A 78 -2.315 14.639 16.418 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -4.118 11.725 15.565 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -4.267 11.187 17.241 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -2.509 13.939 18.568 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -3.360 12.435 18.934 1.00 0.00 H new ATOM 1207 N ASN A 79 -6.834 12.227 14.112 1.00 0.00 N ATOM 1208 CA ASN A 79 -8.153 12.103 14.722 1.00 0.00 C ATOM 1209 C ASN A 79 -8.919 10.926 14.126 1.00 0.00 C ATOM 1210 O ASN A 79 -10.141 10.975 13.985 1.00 0.00 O ATOM 1211 CB ASN A 79 -8.951 13.395 14.529 1.00 0.00 C ATOM 1212 CG ASN A 79 -10.051 13.554 15.560 1.00 0.00 C ATOM 1213 OD1 ASN A 79 -9.876 13.210 16.729 1.00 0.00 O ATOM 1214 ND2 ASN A 79 -11.194 14.077 15.130 1.00 0.00 N ATOM 0 H ASN A 79 -6.059 11.982 14.729 1.00 0.00 H new ATOM 0 HA ASN A 79 -8.017 11.923 15.788 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -8.275 14.248 14.588 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -9.388 13.403 13.531 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -11.971 14.208 15.778 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -11.295 14.348 14.152 1.00 0.00 H new ATOM 1221 N GLN A 80 -8.192 9.869 13.778 1.00 0.00 N ATOM 1222 CA GLN A 80 -8.803 8.679 13.197 1.00 0.00 C ATOM 1223 C GLN A 80 -8.147 7.412 13.735 1.00 0.00 C ATOM 1224 O GLN A 80 -7.289 7.470 14.616 1.00 0.00 O ATOM 1225 CB GLN A 80 -8.693 8.717 11.672 1.00 0.00 C ATOM 1226 CG GLN A 80 -9.272 9.978 11.051 1.00 0.00 C ATOM 1227 CD GLN A 80 -10.781 10.051 11.177 1.00 0.00 C ATOM 1228 OE1 GLN A 80 -11.315 10.888 11.905 1.00 0.00 O ATOM 1229 NE2 GLN A 80 -11.478 9.171 10.467 1.00 0.00 N ATOM 0 H GLN A 80 -7.180 9.812 13.888 1.00 0.00 H new ATOM 0 HA GLN A 80 -9.856 8.668 13.478 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -7.644 8.632 11.390 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -9.206 7.849 11.257 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -8.829 10.851 11.530 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -8.997 10.019 9.997 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -10.994 8.495 9.876 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -12.497 9.172 10.512 1.00 0.00 H new ATOM 1238 N LYS A 81 -8.555 6.267 13.199 1.00 0.00 N ATOM 1239 CA LYS A 81 -8.007 4.985 13.624 1.00 0.00 C ATOM 1240 C LYS A 81 -7.921 4.014 12.450 1.00 0.00 C ATOM 1241 O LYS A 81 -8.601 4.187 11.439 1.00 0.00 O ATOM 1242 CB LYS A 81 -8.868 4.382 14.736 1.00 0.00 C ATOM 1243 CG LYS A 81 -8.770 5.129 16.054 1.00 0.00 C ATOM 1244 CD LYS A 81 -7.454 4.846 16.760 1.00 0.00 C ATOM 1245 CE LYS A 81 -7.524 3.565 17.576 1.00 0.00 C ATOM 1246 NZ LYS A 81 -6.398 3.463 18.546 1.00 0.00 N ATOM 0 H LYS A 81 -9.264 6.201 12.469 1.00 0.00 H new ATOM 0 HA LYS A 81 -7.000 5.157 14.005 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -9.909 4.369 14.412 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -8.570 3.345 14.893 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -8.864 6.200 15.874 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -9.599 4.840 16.699 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -6.654 4.766 16.023 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -7.203 5.682 17.413 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -8.471 3.528 18.114 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -7.505 2.706 16.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -6.482 2.576 19.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -5.494 3.472 18.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -6.431 4.269 19.202 1.00 0.00 H new ATOM 1260 N TRP A 82 -7.084 2.993 12.593 1.00 0.00 N ATOM 1261 CA TRP A 82 -6.911 1.994 11.544 1.00 0.00 C ATOM 1262 C TRP A 82 -8.257 1.575 10.965 1.00 0.00 C ATOM 1263 O TRP A 82 -9.309 1.900 11.516 1.00 0.00 O ATOM 1264 CB TRP A 82 -6.175 0.771 12.093 1.00 0.00 C ATOM 1265 CG TRP A 82 -4.768 1.065 12.519 1.00 0.00 C ATOM 1266 CD1 TRP A 82 -4.339 1.362 13.781 1.00 0.00 C ATOM 1267 CD2 TRP A 82 -3.608 1.093 11.681 1.00 0.00 C ATOM 1268 NE1 TRP A 82 -2.981 1.572 13.778 1.00 0.00 N ATOM 1269 CE2 TRP A 82 -2.509 1.413 12.502 1.00 0.00 C ATOM 1270 CE3 TRP A 82 -3.389 0.877 10.317 1.00 0.00 C ATOM 1271 CZ2 TRP A 82 -1.214 1.522 12.002 1.00 0.00 C ATOM 1272 CZ3 TRP A 82 -2.104 0.987 9.823 1.00 0.00 C ATOM 1273 CH2 TRP A 82 -1.029 1.306 10.664 1.00 0.00 C ATOM 0 H TRP A 82 -6.515 2.835 13.424 1.00 0.00 H new ATOM 0 HA TRP A 82 -6.316 2.439 10.746 1.00 0.00 H new ATOM 0 HB2 TRP A 82 -6.729 0.374 12.944 1.00 0.00 H new ATOM 0 HB3 TRP A 82 -6.161 -0.008 11.331 1.00 0.00 H new ATOM 0 HD1 TRP A 82 -4.973 1.423 14.653 1.00 0.00 H new ATOM 0 HE1 TRP A 82 -2.416 1.808 14.594 1.00 0.00 H new ATOM 0 HE3 TRP A 82 -4.210 0.628 9.661 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 -0.384 1.769 12.648 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -1.924 0.824 8.771 1.00 0.00 H new ATOM 0 HH2 TRP A 82 -0.035 1.383 10.248 1.00 0.00 H new ATOM 1284 N ARG A 83 -8.218 0.852 9.850 1.00 0.00 N ATOM 1285 CA ARG A 83 -9.436 0.390 9.196 1.00 0.00 C ATOM 1286 C ARG A 83 -9.261 -1.028 8.661 1.00 0.00 C ATOM 1287 O ARG A 83 -8.178 -1.404 8.212 1.00 0.00 O ATOM 1288 CB ARG A 83 -9.817 1.334 8.054 1.00 0.00 C ATOM 1289 CG ARG A 83 -9.929 2.789 8.479 1.00 0.00 C ATOM 1290 CD ARG A 83 -11.316 3.108 9.014 1.00 0.00 C ATOM 1291 NE ARG A 83 -11.681 4.504 8.790 1.00 0.00 N ATOM 1292 CZ ARG A 83 -12.288 4.937 7.691 1.00 0.00 C ATOM 1293 NH1 ARG A 83 -12.596 4.088 6.721 1.00 0.00 N ATOM 1294 NH2 ARG A 83 -12.589 6.223 7.560 1.00 0.00 N ATOM 0 H ARG A 83 -7.356 0.574 9.381 1.00 0.00 H new ATOM 0 HA ARG A 83 -10.236 0.385 9.936 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -9.073 1.252 7.262 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -10.769 1.013 7.631 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -9.184 3.004 9.245 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -9.708 3.435 7.630 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -12.048 2.460 8.532 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -11.352 2.891 10.082 1.00 0.00 H new ATOM 0 HE ARG A 83 -11.458 5.184 9.517 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -12.367 3.099 6.817 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -13.062 4.424 5.878 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -12.354 6.880 8.304 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -13.055 6.554 6.715 1.00 0.00 H new ATOM 1308 N SER A 84 -10.334 -1.811 8.711 1.00 0.00 N ATOM 1309 CA SER A 84 -10.298 -3.189 8.236 1.00 0.00 C ATOM 1310 C SER A 84 -10.562 -3.253 6.734 1.00 0.00 C ATOM 1311 O SER A 84 -11.674 -2.989 6.276 1.00 0.00 O ATOM 1312 CB SER A 84 -11.329 -4.036 8.983 1.00 0.00 C ATOM 1313 OG SER A 84 -11.010 -4.131 10.361 1.00 0.00 O ATOM 0 H SER A 84 -11.239 -1.514 9.076 1.00 0.00 H new ATOM 0 HA SER A 84 -9.302 -3.588 8.430 1.00 0.00 H new ATOM 0 HB2 SER A 84 -12.319 -3.596 8.865 1.00 0.00 H new ATOM 0 HB3 SER A 84 -11.369 -5.034 8.546 1.00 0.00 H new ATOM 0 HG SER A 84 -11.685 -4.676 10.816 1.00 0.00 H new ATOM 1319 N LEU A 85 -9.532 -3.605 5.973 1.00 0.00 N ATOM 1320 CA LEU A 85 -9.651 -3.704 4.523 1.00 0.00 C ATOM 1321 C LEU A 85 -10.373 -4.987 4.122 1.00 0.00 C ATOM 1322 O LEU A 85 -10.363 -5.971 4.860 1.00 0.00 O ATOM 1323 CB LEU A 85 -8.266 -3.661 3.874 1.00 0.00 C ATOM 1324 CG LEU A 85 -7.513 -2.335 3.987 1.00 0.00 C ATOM 1325 CD1 LEU A 85 -6.012 -2.574 4.005 1.00 0.00 C ATOM 1326 CD2 LEU A 85 -7.894 -1.406 2.842 1.00 0.00 C ATOM 0 H LEU A 85 -8.605 -3.827 6.336 1.00 0.00 H new ATOM 0 HA LEU A 85 -10.237 -2.854 4.172 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -7.653 -4.443 4.321 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -8.374 -3.906 2.817 1.00 0.00 H new ATOM 0 HG LEU A 85 -7.795 -1.857 4.925 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -5.492 -1.619 4.086 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -5.754 -3.201 4.858 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -5.712 -3.073 3.084 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -7.349 -0.467 2.938 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -7.641 -1.877 1.892 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -8.965 -1.208 2.875 1.00 0.00 H new ATOM 1338 N GLU A 86 -10.996 -4.967 2.948 1.00 0.00 N ATOM 1339 CA GLU A 86 -11.722 -6.129 2.449 1.00 0.00 C ATOM 1340 C GLU A 86 -10.988 -6.765 1.272 1.00 0.00 C ATOM 1341 O GLU A 86 -10.600 -6.081 0.325 1.00 0.00 O ATOM 1342 CB GLU A 86 -13.138 -5.731 2.026 1.00 0.00 C ATOM 1343 CG GLU A 86 -13.177 -4.832 0.802 1.00 0.00 C ATOM 1344 CD GLU A 86 -14.592 -4.499 0.369 1.00 0.00 C ATOM 1345 OE1 GLU A 86 -15.178 -3.553 0.935 1.00 0.00 O ATOM 1346 OE2 GLU A 86 -15.113 -5.184 -0.536 1.00 0.00 O ATOM 0 H GLU A 86 -11.013 -4.159 2.325 1.00 0.00 H new ATOM 0 HA GLU A 86 -11.783 -6.860 3.255 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -13.714 -6.633 1.822 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -13.627 -5.221 2.856 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -12.640 -3.908 1.017 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -12.655 -5.321 -0.020 1.00 0.00 H new ATOM 1353 N LYS A 87 -10.799 -8.079 1.340 1.00 0.00 N ATOM 1354 CA LYS A 87 -10.113 -8.809 0.281 1.00 0.00 C ATOM 1355 C LYS A 87 -10.727 -8.500 -1.080 1.00 0.00 C ATOM 1356 O LYS A 87 -11.718 -9.112 -1.478 1.00 0.00 O ATOM 1357 CB LYS A 87 -10.174 -10.315 0.550 1.00 0.00 C ATOM 1358 CG LYS A 87 -9.100 -10.806 1.505 1.00 0.00 C ATOM 1359 CD LYS A 87 -8.969 -12.320 1.465 1.00 0.00 C ATOM 1360 CE LYS A 87 -10.146 -12.999 2.148 1.00 0.00 C ATOM 1361 NZ LYS A 87 -10.214 -12.667 3.598 1.00 0.00 N ATOM 0 H LYS A 87 -11.112 -8.660 2.118 1.00 0.00 H new ATOM 0 HA LYS A 87 -9.071 -8.489 0.270 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -11.153 -10.563 0.959 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -10.079 -10.849 -0.396 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -8.145 -10.350 1.245 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -9.340 -10.487 2.519 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -8.906 -12.654 0.429 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -8.042 -12.619 1.953 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -11.073 -12.694 1.662 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -10.063 -14.079 2.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -10.802 -13.371 4.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -9.255 -12.675 4.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -10.632 -11.722 3.719 1.00 0.00 H new ATOM 1375 N ARG A 88 -10.131 -7.547 -1.790 1.00 0.00 N ATOM 1376 CA ARG A 88 -10.620 -7.157 -3.107 1.00 0.00 C ATOM 1377 C ARG A 88 -9.724 -7.718 -4.208 1.00 0.00 C ATOM 1378 O ARG A 88 -8.508 -7.532 -4.186 1.00 0.00 O ATOM 1379 CB ARG A 88 -10.689 -5.633 -3.218 1.00 0.00 C ATOM 1380 CG ARG A 88 -11.785 -5.139 -4.148 1.00 0.00 C ATOM 1381 CD ARG A 88 -11.367 -5.243 -5.607 1.00 0.00 C ATOM 1382 NE ARG A 88 -12.424 -4.800 -6.512 1.00 0.00 N ATOM 1383 CZ ARG A 88 -13.545 -5.482 -6.723 1.00 0.00 C ATOM 1384 NH1 ARG A 88 -13.753 -6.632 -6.096 1.00 0.00 N ATOM 1385 NH2 ARG A 88 -14.460 -5.014 -7.562 1.00 0.00 N ATOM 0 H ARG A 88 -9.309 -7.031 -1.475 1.00 0.00 H new ATOM 0 HA ARG A 88 -11.621 -7.569 -3.232 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -10.849 -5.212 -2.226 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -9.728 -5.259 -3.572 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -12.692 -5.722 -3.986 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -12.026 -4.103 -3.910 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -10.473 -4.641 -5.772 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -11.103 -6.276 -5.836 1.00 0.00 H new ATOM 0 HE ARG A 88 -12.295 -3.919 -7.009 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -13.052 -6.995 -5.450 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -14.614 -7.154 -6.260 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -14.304 -4.130 -8.046 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -15.320 -5.538 -7.723 1.00 0.00 H new ATOM 1399 N ALA A 89 -10.335 -8.405 -5.168 1.00 0.00 N ATOM 1400 CA ALA A 89 -9.593 -8.992 -6.277 1.00 0.00 C ATOM 1401 C ALA A 89 -10.486 -9.172 -7.500 1.00 0.00 C ATOM 1402 O ALA A 89 -11.403 -9.993 -7.495 1.00 0.00 O ATOM 1403 CB ALA A 89 -8.988 -10.325 -5.861 1.00 0.00 C ATOM 0 H ALA A 89 -11.341 -8.569 -5.200 1.00 0.00 H new ATOM 0 HA ALA A 89 -8.787 -8.309 -6.545 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -8.437 -10.752 -6.699 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -8.310 -10.171 -5.022 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -9.783 -11.009 -5.564 1.00 0.00 H new ATOM 1409 N ASP A 90 -10.212 -8.400 -8.546 1.00 0.00 N ATOM 1410 CA ASP A 90 -10.990 -8.475 -9.776 1.00 0.00 C ATOM 1411 C ASP A 90 -10.302 -9.371 -10.801 1.00 0.00 C ATOM 1412 O ASP A 90 -9.531 -8.898 -11.634 1.00 0.00 O ATOM 1413 CB ASP A 90 -11.197 -7.077 -10.360 1.00 0.00 C ATOM 1414 CG ASP A 90 -12.037 -7.095 -11.622 1.00 0.00 C ATOM 1415 OD1 ASP A 90 -12.878 -8.007 -11.761 1.00 0.00 O ATOM 1416 OD2 ASP A 90 -11.852 -6.198 -12.471 1.00 0.00 O ATOM 0 H ASP A 90 -9.457 -7.715 -8.566 1.00 0.00 H new ATOM 0 HA ASP A 90 -11.961 -8.908 -9.536 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -11.679 -6.443 -9.615 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -10.227 -6.631 -10.579 1.00 0.00 H new ATOM 1421 N GLU A 91 -10.586 -10.668 -10.731 1.00 0.00 N ATOM 1422 CA GLU A 91 -9.992 -11.630 -11.652 1.00 0.00 C ATOM 1423 C GLU A 91 -11.070 -12.470 -12.332 1.00 0.00 C ATOM 1424 O GLU A 91 -11.482 -13.508 -11.814 1.00 0.00 O ATOM 1425 CB GLU A 91 -9.012 -12.542 -10.911 1.00 0.00 C ATOM 1426 CG GLU A 91 -8.462 -13.670 -11.768 1.00 0.00 C ATOM 1427 CD GLU A 91 -7.098 -14.143 -11.304 1.00 0.00 C ATOM 1428 OE1 GLU A 91 -6.304 -13.300 -10.838 1.00 0.00 O ATOM 1429 OE2 GLU A 91 -6.825 -15.357 -11.409 1.00 0.00 O ATOM 0 H GLU A 91 -11.223 -11.076 -10.047 1.00 0.00 H new ATOM 0 HA GLU A 91 -9.451 -11.074 -12.418 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -8.182 -11.942 -10.538 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -9.512 -12.969 -10.042 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -9.159 -14.508 -11.750 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -8.394 -13.335 -12.803 1.00 0.00 H new ATOM 1436 N VAL A 92 -11.523 -12.012 -13.495 1.00 0.00 N ATOM 1437 CA VAL A 92 -12.552 -12.721 -14.246 1.00 0.00 C ATOM 1438 C VAL A 92 -11.961 -13.417 -15.466 1.00 0.00 C ATOM 1439 O VAL A 92 -11.525 -12.765 -16.416 1.00 0.00 O ATOM 1440 CB VAL A 92 -13.670 -11.765 -14.705 1.00 0.00 C ATOM 1441 CG1 VAL A 92 -14.710 -12.514 -15.525 1.00 0.00 C ATOM 1442 CG2 VAL A 92 -14.313 -11.083 -13.507 1.00 0.00 C ATOM 0 H VAL A 92 -11.194 -11.154 -13.937 1.00 0.00 H new ATOM 0 HA VAL A 92 -12.975 -13.469 -13.575 1.00 0.00 H new ATOM 0 HB VAL A 92 -13.229 -10.995 -15.338 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -15.492 -11.823 -15.840 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -14.235 -12.950 -16.404 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -15.149 -13.306 -14.919 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -15.100 -10.412 -13.850 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -14.741 -11.836 -12.846 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -13.559 -10.512 -12.966 1.00 0.00 H new ATOM 1452 N SER A 93 -11.949 -14.746 -15.435 1.00 0.00 N ATOM 1453 CA SER A 93 -11.407 -15.532 -16.537 1.00 0.00 C ATOM 1454 C SER A 93 -12.291 -16.741 -16.827 1.00 0.00 C ATOM 1455 O SER A 93 -13.071 -17.171 -15.979 1.00 0.00 O ATOM 1456 CB SER A 93 -9.984 -15.991 -16.214 1.00 0.00 C ATOM 1457 OG SER A 93 -9.987 -16.991 -15.211 1.00 0.00 O ATOM 0 H SER A 93 -12.309 -15.301 -14.658 1.00 0.00 H new ATOM 0 HA SER A 93 -11.383 -14.900 -17.425 1.00 0.00 H new ATOM 0 HB2 SER A 93 -9.510 -16.377 -17.116 1.00 0.00 H new ATOM 0 HB3 SER A 93 -9.390 -15.139 -15.881 1.00 0.00 H new ATOM 0 HG SER A 93 -9.066 -17.269 -15.024 1.00 0.00 H new ATOM 1463 N GLY A 94 -12.160 -17.286 -18.033 1.00 0.00 N ATOM 1464 CA GLY A 94 -12.952 -18.441 -18.415 1.00 0.00 C ATOM 1465 C GLY A 94 -13.797 -18.183 -19.646 1.00 0.00 C ATOM 1466 O GLY A 94 -14.982 -17.862 -19.556 1.00 0.00 O ATOM 0 H GLY A 94 -11.520 -16.948 -18.752 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -12.289 -19.286 -18.603 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -13.600 -18.723 -17.586 1.00 0.00 H new ATOM 1470 N PRO A 95 -13.183 -18.323 -20.830 1.00 0.00 N ATOM 1471 CA PRO A 95 -13.867 -18.106 -22.108 1.00 0.00 C ATOM 1472 C PRO A 95 -14.898 -19.191 -22.405 1.00 0.00 C ATOM 1473 O PRO A 95 -15.046 -20.145 -21.642 1.00 0.00 O ATOM 1474 CB PRO A 95 -12.731 -18.154 -23.132 1.00 0.00 C ATOM 1475 CG PRO A 95 -11.674 -18.983 -22.487 1.00 0.00 C ATOM 1476 CD PRO A 95 -11.772 -18.703 -21.013 1.00 0.00 C ATOM 0 HA PRO A 95 -14.427 -17.171 -22.117 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -13.063 -18.597 -24.071 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -12.364 -17.154 -23.363 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -11.828 -20.042 -22.694 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -10.687 -18.723 -22.869 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -11.512 -19.579 -20.420 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -11.098 -17.902 -20.711 1.00 0.00 H new ATOM 1484 N SER A 96 -15.608 -19.037 -23.518 1.00 0.00 N ATOM 1485 CA SER A 96 -16.627 -20.002 -23.913 1.00 0.00 C ATOM 1486 C SER A 96 -16.062 -21.419 -23.916 1.00 0.00 C ATOM 1487 O SER A 96 -16.526 -22.286 -23.176 1.00 0.00 O ATOM 1488 CB SER A 96 -17.176 -19.657 -25.299 1.00 0.00 C ATOM 1489 OG SER A 96 -18.503 -20.128 -25.454 1.00 0.00 O ATOM 0 H SER A 96 -15.496 -18.254 -24.162 1.00 0.00 H new ATOM 0 HA SER A 96 -17.438 -19.955 -23.186 1.00 0.00 H new ATOM 0 HB2 SER A 96 -17.151 -18.577 -25.445 1.00 0.00 H new ATOM 0 HB3 SER A 96 -16.539 -20.097 -26.066 1.00 0.00 H new ATOM 0 HG SER A 96 -18.831 -19.893 -26.347 1.00 0.00 H new ATOM 1495 N SER A 97 -15.056 -21.647 -24.755 1.00 0.00 N ATOM 1496 CA SER A 97 -14.429 -22.959 -24.859 1.00 0.00 C ATOM 1497 C SER A 97 -13.542 -23.234 -23.648 1.00 0.00 C ATOM 1498 O SER A 97 -13.140 -22.314 -22.937 1.00 0.00 O ATOM 1499 CB SER A 97 -13.602 -23.052 -26.142 1.00 0.00 C ATOM 1500 OG SER A 97 -12.674 -21.985 -26.231 1.00 0.00 O ATOM 0 H SER A 97 -14.658 -20.940 -25.373 1.00 0.00 H new ATOM 0 HA SER A 97 -15.218 -23.710 -24.889 1.00 0.00 H new ATOM 0 HB2 SER A 97 -13.070 -24.003 -26.167 1.00 0.00 H new ATOM 0 HB3 SER A 97 -14.265 -23.034 -27.007 1.00 0.00 H new ATOM 0 HG SER A 97 -12.157 -22.069 -27.059 1.00 0.00 H new ATOM 1506 N GLY A 98 -13.241 -24.509 -23.420 1.00 0.00 N ATOM 1507 CA GLY A 98 -12.404 -24.884 -22.296 1.00 0.00 C ATOM 1508 C GLY A 98 -12.883 -26.150 -21.613 1.00 0.00 C ATOM 1509 O GLY A 98 -14.044 -26.210 -21.211 1.00 0.00 O ATOM 0 H GLY A 98 -13.562 -25.289 -23.994 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -11.380 -25.026 -22.641 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -12.386 -24.069 -21.572 1.00 0.00 H new TER 1513 GLY A 98 HETATM 1514 ZN ZN A 201 5.419 1.187 -1.387 1.00 0.00 ZN HETATM 1515 ZN ZN A 401 2.097 -10.486 5.402 1.00 0.00 ZN