USER MOD reduce.3.24.130724 H: found=0, std=0, add=865, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 863 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 52 GLN : amide:sc= -5.9! C(o=-7.1!,f=-7.1!) USER MOD Set 1.2: A 96 GLN : amide:sc= -1.2 K(o=-7.1,f=-9.3!) USER MOD Set 2.1: A 58 ASN : amide:sc= 0.696 K(o=1.5,f=-1.6) USER MOD Set 2.2: A 90 GLN : amide:sc= 0.843 K(o=1.5,f=-0.5) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (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 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 MET CE :methyl 178:sc= -1.28 (180deg=-1.42) USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.0145 USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 THR OG1 : rot 140:sc= -1.36 USER MOD Single : A 29 SER OG : rot -44:sc= -2.73 USER MOD Single : A 30 GLN : amide:sc= -0.544 X(o=-0.54,f=-0.061) USER MOD Single : A 31 SER OG : rot 129:sc= -0.24 USER MOD Single : A 33 GLN : amide:sc= -0.159 X(o=-0.16,f=-0.58) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.0674 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 163:sc= 0.946 (180deg=0.898) USER MOD Single : A 44 GLN : amide:sc= -0.162 X(o=-0.16,f=-0.54) USER MOD Single : A 45 ASN : amide:sc= 0.245 K(o=0.25,f=-1.2) USER MOD Single : A 51 TYR OH : rot 80:sc= -1.59 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 142:sc= -0.128 USER MOD Single : A 62 SER OG : rot 139:sc= 0.0462 USER MOD Single : A 63 ASN : amide:sc= -0.0574 K(o=-0.057,f=-1) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0.248 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl -177:sc= -3.39! (180deg=-3.45!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 173:sc= -1.23 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -0.0153 X(o=-0.015,f=-0.11) USER MOD Single : A 86 LYS NZ :NH3+ -139:sc= 0 (180deg=-1.01) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 TYR OH : rot 30:sc= -0.434 USER MOD Single : A 99 ASN : amide:sc= -6.2! C(o=-6.2!,f=-20!) USER MOD Single : A 103 THR OG1 : rot 180:sc=-0.00274 USER MOD Single : A 106 SER OG : rot 41:sc= 0.0759 USER MOD Single : A 107 SER OG : rot 79:sc= -2.03! USER MOD Single : A 108 SER OG : rot 73:sc= 0.082 USER MOD Single : A 111 ASN : amide:sc= -1.23 K(o=-1.2,f=-2.5!) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0.00996 USER MOD Single : A 114 THR OG1 : rot -139:sc= 0.489 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 SER OG : rot 61:sc= 0.00508 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 43.458 8.381 12.001 1.00 0.00 N ATOM 2 CA GLY A 1 42.516 9.470 11.805 1.00 0.00 C ATOM 3 C GLY A 1 42.917 10.331 10.605 1.00 0.00 C ATOM 4 O GLY A 1 44.067 10.752 10.494 1.00 0.00 O ATOM 0 H1 GLY A 1 43.165 7.812 12.820 1.00 0.00 H new ATOM 0 H2 GLY A 1 43.477 7.781 11.152 1.00 0.00 H new ATOM 0 H3 GLY A 1 44.407 8.770 12.172 1.00 0.00 H new ATOM 0 HA2 GLY A 1 41.515 9.067 11.650 1.00 0.00 H new ATOM 0 HA3 GLY A 1 42.475 10.087 12.703 1.00 0.00 H new ATOM 8 N SER A 2 41.944 10.568 9.736 1.00 0.00 N ATOM 9 CA SER A 2 42.181 11.371 8.549 1.00 0.00 C ATOM 10 C SER A 2 40.929 12.183 8.209 1.00 0.00 C ATOM 11 O SER A 2 39.988 11.660 7.616 1.00 0.00 O ATOM 12 CB SER A 2 42.583 10.494 7.362 1.00 0.00 C ATOM 13 OG SER A 2 43.449 11.179 6.461 1.00 0.00 O ATOM 0 H SER A 2 40.991 10.218 9.831 1.00 0.00 H new ATOM 0 HA SER A 2 43.005 12.054 8.757 1.00 0.00 H new ATOM 0 HB2 SER A 2 43.078 9.594 7.727 1.00 0.00 H new ATOM 0 HB3 SER A 2 41.688 10.172 6.830 1.00 0.00 H new ATOM 0 HG SER A 2 43.684 10.585 5.718 1.00 0.00 H new ATOM 19 N SER A 3 40.960 13.449 8.599 1.00 0.00 N ATOM 20 CA SER A 3 39.840 14.339 8.343 1.00 0.00 C ATOM 21 C SER A 3 38.689 14.020 9.299 1.00 0.00 C ATOM 22 O SER A 3 38.249 14.884 10.055 1.00 0.00 O ATOM 23 CB SER A 3 39.370 14.228 6.891 1.00 0.00 C ATOM 24 OG SER A 3 38.675 15.397 6.465 1.00 0.00 O ATOM 0 H SER A 3 41.743 13.880 9.090 1.00 0.00 H new ATOM 0 HA SER A 3 40.171 15.364 8.513 1.00 0.00 H new ATOM 0 HB2 SER A 3 40.230 14.061 6.243 1.00 0.00 H new ATOM 0 HB3 SER A 3 38.719 13.360 6.786 1.00 0.00 H new ATOM 0 HG SER A 3 38.393 15.288 5.533 1.00 0.00 H new ATOM 30 N GLY A 4 38.235 12.777 9.234 1.00 0.00 N ATOM 31 CA GLY A 4 37.144 12.333 10.084 1.00 0.00 C ATOM 32 C GLY A 4 35.793 12.769 9.515 1.00 0.00 C ATOM 33 O GLY A 4 35.130 12.000 8.820 1.00 0.00 O ATOM 0 H GLY A 4 38.603 12.063 8.605 1.00 0.00 H new ATOM 0 HA2 GLY A 4 37.170 11.247 10.177 1.00 0.00 H new ATOM 0 HA3 GLY A 4 37.270 12.742 11.086 1.00 0.00 H new ATOM 37 N SER A 5 35.424 14.002 9.830 1.00 0.00 N ATOM 38 CA SER A 5 34.163 14.550 9.358 1.00 0.00 C ATOM 39 C SER A 5 34.381 15.314 8.051 1.00 0.00 C ATOM 40 O SER A 5 35.320 16.100 7.936 1.00 0.00 O ATOM 41 CB SER A 5 33.533 15.465 10.409 1.00 0.00 C ATOM 42 OG SER A 5 32.397 16.159 9.901 1.00 0.00 O ATOM 0 H SER A 5 35.976 14.637 10.406 1.00 0.00 H new ATOM 0 HA SER A 5 33.477 13.723 9.177 1.00 0.00 H new ATOM 0 HB2 SER A 5 33.238 14.873 11.275 1.00 0.00 H new ATOM 0 HB3 SER A 5 34.274 16.186 10.753 1.00 0.00 H new ATOM 0 HG SER A 5 32.022 16.731 10.603 1.00 0.00 H new ATOM 48 N SER A 6 33.498 15.055 7.097 1.00 0.00 N ATOM 49 CA SER A 6 33.583 15.709 5.802 1.00 0.00 C ATOM 50 C SER A 6 32.178 15.967 5.254 1.00 0.00 C ATOM 51 O SER A 6 31.803 17.114 5.013 1.00 0.00 O ATOM 52 CB SER A 6 34.392 14.868 4.813 1.00 0.00 C ATOM 53 OG SER A 6 34.754 15.612 3.652 1.00 0.00 O ATOM 0 H SER A 6 32.721 14.402 7.195 1.00 0.00 H new ATOM 0 HA SER A 6 34.096 16.662 5.932 1.00 0.00 H new ATOM 0 HB2 SER A 6 35.293 14.499 5.303 1.00 0.00 H new ATOM 0 HB3 SER A 6 33.810 13.995 4.518 1.00 0.00 H new ATOM 0 HG SER A 6 35.271 15.041 3.046 1.00 0.00 H new ATOM 59 N GLY A 7 31.439 14.882 5.073 1.00 0.00 N ATOM 60 CA GLY A 7 30.084 14.977 4.558 1.00 0.00 C ATOM 61 C GLY A 7 29.304 13.688 4.826 1.00 0.00 C ATOM 62 O GLY A 7 29.068 12.900 3.912 1.00 0.00 O ATOM 0 H GLY A 7 31.753 13.933 5.274 1.00 0.00 H new ATOM 0 HA2 GLY A 7 29.572 15.819 5.024 1.00 0.00 H new ATOM 0 HA3 GLY A 7 30.111 15.174 3.486 1.00 0.00 H new ATOM 66 N ILE A 8 28.925 13.514 6.083 1.00 0.00 N ATOM 67 CA ILE A 8 28.177 12.335 6.483 1.00 0.00 C ATOM 68 C ILE A 8 26.683 12.666 6.503 1.00 0.00 C ATOM 69 O ILE A 8 26.085 12.789 7.571 1.00 0.00 O ATOM 70 CB ILE A 8 28.704 11.791 7.812 1.00 0.00 C ATOM 71 CG1 ILE A 8 30.199 11.478 7.722 1.00 0.00 C ATOM 72 CG2 ILE A 8 27.891 10.578 8.269 1.00 0.00 C ATOM 73 CD1 ILE A 8 30.944 12.002 8.951 1.00 0.00 C ATOM 0 H ILE A 8 29.122 14.170 6.838 1.00 0.00 H new ATOM 0 HA ILE A 8 28.316 11.532 5.759 1.00 0.00 H new ATOM 0 HB ILE A 8 28.582 12.565 8.570 1.00 0.00 H new ATOM 0 HG12 ILE A 8 30.344 10.401 7.636 1.00 0.00 H new ATOM 0 HG13 ILE A 8 30.615 11.929 6.821 1.00 0.00 H new ATOM 0 HG21 ILE A 8 28.286 10.211 9.216 1.00 0.00 H new ATOM 0 HG22 ILE A 8 26.848 10.867 8.399 1.00 0.00 H new ATOM 0 HG23 ILE A 8 27.959 9.791 7.518 1.00 0.00 H new ATOM 0 HD11 ILE A 8 32.004 11.766 8.862 1.00 0.00 H new ATOM 0 HD12 ILE A 8 30.817 13.082 9.020 1.00 0.00 H new ATOM 0 HD13 ILE A 8 30.542 11.531 9.848 1.00 0.00 H new ATOM 85 N SER A 9 26.123 12.803 5.310 1.00 0.00 N ATOM 86 CA SER A 9 24.711 13.118 5.177 1.00 0.00 C ATOM 87 C SER A 9 24.331 13.204 3.698 1.00 0.00 C ATOM 88 O SER A 9 24.700 14.156 3.013 1.00 0.00 O ATOM 89 CB SER A 9 24.370 14.427 5.890 1.00 0.00 C ATOM 90 OG SER A 9 23.076 14.390 6.486 1.00 0.00 O ATOM 0 H SER A 9 26.622 12.702 4.426 1.00 0.00 H new ATOM 0 HA SER A 9 24.137 12.320 5.647 1.00 0.00 H new ATOM 0 HB2 SER A 9 25.117 14.626 6.658 1.00 0.00 H new ATOM 0 HB3 SER A 9 24.417 15.251 5.178 1.00 0.00 H new ATOM 0 HG SER A 9 22.897 15.244 6.933 1.00 0.00 H new ATOM 96 N THR A 10 23.598 12.196 3.249 1.00 0.00 N ATOM 97 CA THR A 10 23.164 12.146 1.863 1.00 0.00 C ATOM 98 C THR A 10 21.802 12.826 1.706 1.00 0.00 C ATOM 99 O THR A 10 21.523 13.824 2.368 1.00 0.00 O ATOM 100 CB THR A 10 23.166 10.681 1.419 1.00 0.00 C ATOM 101 OG1 THR A 10 24.360 10.149 1.986 1.00 0.00 O ATOM 102 CG2 THR A 10 23.369 10.527 -0.089 1.00 0.00 C ATOM 0 H THR A 10 23.294 11.408 3.820 1.00 0.00 H new ATOM 0 HA THR A 10 23.845 12.698 1.215 1.00 0.00 H new ATOM 0 HB THR A 10 22.225 10.212 1.708 1.00 0.00 H new ATOM 0 HG1 THR A 10 24.441 9.201 1.749 1.00 0.00 H new ATOM 0 HG21 THR A 10 23.362 9.469 -0.351 1.00 0.00 H new ATOM 0 HG22 THR A 10 22.564 11.037 -0.618 1.00 0.00 H new ATOM 0 HG23 THR A 10 24.325 10.965 -0.374 1.00 0.00 H new ATOM 110 N GLU A 11 20.991 12.258 0.825 1.00 0.00 N ATOM 111 CA GLU A 11 19.666 12.797 0.573 1.00 0.00 C ATOM 112 C GLU A 11 18.908 11.903 -0.411 1.00 0.00 C ATOM 113 O GLU A 11 19.392 11.633 -1.509 1.00 0.00 O ATOM 114 CB GLU A 11 19.748 14.235 0.057 1.00 0.00 C ATOM 115 CG GLU A 11 19.842 14.265 -1.470 1.00 0.00 C ATOM 116 CD GLU A 11 19.880 15.703 -1.989 1.00 0.00 C ATOM 117 OE1 GLU A 11 20.828 16.421 -1.603 1.00 0.00 O ATOM 118 OE2 GLU A 11 18.961 16.053 -2.760 1.00 0.00 O ATOM 0 H GLU A 11 21.226 11.430 0.277 1.00 0.00 H new ATOM 0 HA GLU A 11 19.117 12.815 1.514 1.00 0.00 H new ATOM 0 HB2 GLU A 11 18.869 14.792 0.382 1.00 0.00 H new ATOM 0 HB3 GLU A 11 20.618 14.731 0.488 1.00 0.00 H new ATOM 0 HG2 GLU A 11 20.738 13.734 -1.793 1.00 0.00 H new ATOM 0 HG3 GLU A 11 18.988 13.742 -1.901 1.00 0.00 H new ATOM 125 N GLU A 12 17.732 11.469 0.018 1.00 0.00 N ATOM 126 CA GLU A 12 16.902 10.612 -0.812 1.00 0.00 C ATOM 127 C GLU A 12 15.961 11.456 -1.673 1.00 0.00 C ATOM 128 O GLU A 12 16.007 12.685 -1.628 1.00 0.00 O ATOM 129 CB GLU A 12 16.117 9.615 0.043 1.00 0.00 C ATOM 130 CG GLU A 12 17.034 8.515 0.583 1.00 0.00 C ATOM 131 CD GLU A 12 16.778 8.271 2.072 1.00 0.00 C ATOM 132 OE1 GLU A 12 15.695 7.728 2.380 1.00 0.00 O ATOM 133 OE2 GLU A 12 17.672 8.633 2.867 1.00 0.00 O ATOM 0 H GLU A 12 17.334 11.695 0.930 1.00 0.00 H new ATOM 0 HA GLU A 12 17.552 10.040 -1.474 1.00 0.00 H new ATOM 0 HB2 GLU A 12 15.642 10.137 0.873 1.00 0.00 H new ATOM 0 HB3 GLU A 12 15.319 9.169 -0.552 1.00 0.00 H new ATOM 0 HG2 GLU A 12 16.869 7.593 0.026 1.00 0.00 H new ATOM 0 HG3 GLU A 12 18.076 8.797 0.431 1.00 0.00 H new ATOM 140 N ALA A 13 15.129 10.764 -2.437 1.00 0.00 N ATOM 141 CA ALA A 13 14.178 11.435 -3.308 1.00 0.00 C ATOM 142 C ALA A 13 12.946 10.547 -3.489 1.00 0.00 C ATOM 143 O ALA A 13 13.061 9.324 -3.555 1.00 0.00 O ATOM 144 CB ALA A 13 14.854 11.773 -4.638 1.00 0.00 C ATOM 0 H ALA A 13 15.093 9.745 -2.471 1.00 0.00 H new ATOM 0 HA ALA A 13 13.846 12.373 -2.864 1.00 0.00 H new ATOM 0 HB1 ALA A 13 14.141 12.276 -5.291 1.00 0.00 H new ATOM 0 HB2 ALA A 13 15.706 12.429 -4.457 1.00 0.00 H new ATOM 0 HB3 ALA A 13 15.198 10.855 -5.115 1.00 0.00 H new ATOM 150 N ALA A 14 11.794 11.197 -3.565 1.00 0.00 N ATOM 151 CA ALA A 14 10.541 10.482 -3.738 1.00 0.00 C ATOM 152 C ALA A 14 10.680 9.490 -4.894 1.00 0.00 C ATOM 153 O ALA A 14 11.389 9.756 -5.863 1.00 0.00 O ATOM 154 CB ALA A 14 9.407 11.485 -3.964 1.00 0.00 C ATOM 0 H ALA A 14 11.702 12.211 -3.510 1.00 0.00 H new ATOM 0 HA ALA A 14 10.298 9.912 -2.841 1.00 0.00 H new ATOM 0 HB1 ALA A 14 8.467 10.948 -4.094 1.00 0.00 H new ATOM 0 HB2 ALA A 14 9.330 12.148 -3.102 1.00 0.00 H new ATOM 0 HB3 ALA A 14 9.615 12.074 -4.857 1.00 0.00 H new ATOM 160 N PRO A 15 9.974 8.336 -4.750 1.00 0.00 N ATOM 161 CA PRO A 15 10.013 7.302 -5.770 1.00 0.00 C ATOM 162 C PRO A 15 9.176 7.702 -6.987 1.00 0.00 C ATOM 163 O PRO A 15 8.019 8.094 -6.848 1.00 0.00 O ATOM 164 CB PRO A 15 9.497 6.050 -5.081 1.00 0.00 C ATOM 165 CG PRO A 15 8.755 6.530 -3.844 1.00 0.00 C ATOM 166 CD PRO A 15 9.124 7.987 -3.615 1.00 0.00 C ATOM 0 HA PRO A 15 11.016 7.138 -6.165 1.00 0.00 H new ATOM 0 HB2 PRO A 15 8.835 5.487 -5.739 1.00 0.00 H new ATOM 0 HB3 PRO A 15 10.318 5.386 -4.811 1.00 0.00 H new ATOM 0 HG2 PRO A 15 7.679 6.426 -3.980 1.00 0.00 H new ATOM 0 HG3 PRO A 15 9.027 5.927 -2.978 1.00 0.00 H new ATOM 0 HD2 PRO A 15 8.237 8.619 -3.576 1.00 0.00 H new ATOM 0 HD3 PRO A 15 9.651 8.118 -2.670 1.00 0.00 H new ATOM 174 N ASP A 16 9.796 7.590 -8.153 1.00 0.00 N ATOM 175 CA ASP A 16 9.123 7.935 -9.394 1.00 0.00 C ATOM 176 C ASP A 16 8.550 6.666 -10.028 1.00 0.00 C ATOM 177 O ASP A 16 8.483 6.555 -11.251 1.00 0.00 O ATOM 178 CB ASP A 16 10.097 8.564 -10.392 1.00 0.00 C ATOM 179 CG ASP A 16 9.590 9.834 -11.078 1.00 0.00 C ATOM 180 OD1 ASP A 16 8.538 10.340 -10.630 1.00 0.00 O ATOM 181 OD2 ASP A 16 10.266 10.272 -12.034 1.00 0.00 O ATOM 0 H ASP A 16 10.757 7.265 -8.264 1.00 0.00 H new ATOM 0 HA ASP A 16 8.333 8.649 -9.162 1.00 0.00 H new ATOM 0 HB2 ASP A 16 11.027 8.796 -9.872 1.00 0.00 H new ATOM 0 HB3 ASP A 16 10.336 7.826 -11.158 1.00 0.00 H new ATOM 186 N GLY A 17 8.151 5.741 -9.168 1.00 0.00 N ATOM 187 CA GLY A 17 7.585 4.484 -9.629 1.00 0.00 C ATOM 188 C GLY A 17 7.008 3.682 -8.461 1.00 0.00 C ATOM 189 O GLY A 17 7.529 3.737 -7.348 1.00 0.00 O ATOM 0 H GLY A 17 8.208 5.836 -8.154 1.00 0.00 H new ATOM 0 HA2 GLY A 17 6.802 4.680 -10.362 1.00 0.00 H new ATOM 0 HA3 GLY A 17 8.354 3.898 -10.133 1.00 0.00 H new ATOM 193 N PRO A 18 5.912 2.936 -8.763 1.00 0.00 N ATOM 194 CA PRO A 18 5.259 2.123 -7.751 1.00 0.00 C ATOM 195 C PRO A 18 6.075 0.864 -7.447 1.00 0.00 C ATOM 196 O PRO A 18 7.074 0.593 -8.111 1.00 0.00 O ATOM 197 CB PRO A 18 3.883 1.816 -8.321 1.00 0.00 C ATOM 198 CG PRO A 18 3.985 2.072 -9.816 1.00 0.00 C ATOM 199 CD PRO A 18 5.268 2.846 -10.070 1.00 0.00 C ATOM 0 HA PRO A 18 5.174 2.634 -6.792 1.00 0.00 H new ATOM 0 HB2 PRO A 18 3.599 0.783 -8.120 1.00 0.00 H new ATOM 0 HB3 PRO A 18 3.122 2.450 -7.867 1.00 0.00 H new ATOM 0 HG2 PRO A 18 3.992 1.130 -10.365 1.00 0.00 H new ATOM 0 HG3 PRO A 18 3.122 2.638 -10.166 1.00 0.00 H new ATOM 0 HD2 PRO A 18 5.904 2.332 -10.790 1.00 0.00 H new ATOM 0 HD3 PRO A 18 5.060 3.835 -10.478 1.00 0.00 H new ATOM 207 N PRO A 19 5.606 0.110 -6.417 1.00 0.00 N ATOM 208 CA PRO A 19 6.281 -1.113 -6.018 1.00 0.00 C ATOM 209 C PRO A 19 6.007 -2.241 -7.014 1.00 0.00 C ATOM 210 O PRO A 19 5.123 -2.124 -7.861 1.00 0.00 O ATOM 211 CB PRO A 19 5.759 -1.412 -4.622 1.00 0.00 C ATOM 212 CG PRO A 19 4.474 -0.613 -4.477 1.00 0.00 C ATOM 213 CD PRO A 19 4.426 0.401 -5.608 1.00 0.00 C ATOM 0 HA PRO A 19 7.366 -1.011 -6.010 1.00 0.00 H new ATOM 0 HB2 PRO A 19 5.572 -2.478 -4.495 1.00 0.00 H new ATOM 0 HB3 PRO A 19 6.486 -1.123 -3.863 1.00 0.00 H new ATOM 0 HG2 PRO A 19 3.607 -1.273 -4.519 1.00 0.00 H new ATOM 0 HG3 PRO A 19 4.445 -0.109 -3.511 1.00 0.00 H new ATOM 0 HD2 PRO A 19 3.511 0.300 -6.192 1.00 0.00 H new ATOM 0 HD3 PRO A 19 4.450 1.422 -5.226 1.00 0.00 H new ATOM 221 N MET A 20 6.780 -3.308 -6.878 1.00 0.00 N ATOM 222 CA MET A 20 6.632 -4.456 -7.756 1.00 0.00 C ATOM 223 C MET A 20 5.813 -5.559 -7.082 1.00 0.00 C ATOM 224 O MET A 20 5.520 -5.479 -5.890 1.00 0.00 O ATOM 225 CB MET A 20 8.014 -5.000 -8.125 1.00 0.00 C ATOM 226 CG MET A 20 8.906 -3.892 -8.689 1.00 0.00 C ATOM 227 SD MET A 20 9.695 -4.450 -10.190 1.00 0.00 S ATOM 228 CE MET A 20 8.572 -3.772 -11.401 1.00 0.00 C ATOM 0 H MET A 20 7.511 -3.402 -6.173 1.00 0.00 H new ATOM 0 HA MET A 20 6.106 -4.136 -8.656 1.00 0.00 H new ATOM 0 HB2 MET A 20 8.484 -5.437 -7.244 1.00 0.00 H new ATOM 0 HB3 MET A 20 7.910 -5.798 -8.860 1.00 0.00 H new ATOM 0 HG2 MET A 20 8.311 -3.001 -8.890 1.00 0.00 H new ATOM 0 HG3 MET A 20 9.661 -3.611 -7.954 1.00 0.00 H new ATOM 0 HE1 MET A 20 8.937 -3.998 -12.403 1.00 0.00 H new ATOM 0 HE2 MET A 20 7.584 -4.212 -11.267 1.00 0.00 H new ATOM 0 HE3 MET A 20 8.509 -2.691 -11.274 1.00 0.00 H new ATOM 238 N ASP A 21 5.466 -6.563 -7.875 1.00 0.00 N ATOM 239 CA ASP A 21 4.686 -7.680 -7.370 1.00 0.00 C ATOM 240 C ASP A 21 3.489 -7.146 -6.581 1.00 0.00 C ATOM 241 O ASP A 21 3.183 -7.644 -5.499 1.00 0.00 O ATOM 242 CB ASP A 21 5.520 -8.553 -6.430 1.00 0.00 C ATOM 243 CG ASP A 21 4.941 -9.942 -6.153 1.00 0.00 C ATOM 244 OD1 ASP A 21 3.787 -9.991 -5.674 1.00 0.00 O ATOM 245 OD2 ASP A 21 5.664 -10.924 -6.428 1.00 0.00 O ATOM 0 H ASP A 21 5.711 -6.626 -8.863 1.00 0.00 H new ATOM 0 HA ASP A 21 4.360 -8.276 -8.222 1.00 0.00 H new ATOM 0 HB2 ASP A 21 6.517 -8.670 -6.856 1.00 0.00 H new ATOM 0 HB3 ASP A 21 5.638 -8.029 -5.481 1.00 0.00 H new ATOM 250 N VAL A 22 2.845 -6.140 -7.154 1.00 0.00 N ATOM 251 CA VAL A 22 1.689 -5.532 -6.517 1.00 0.00 C ATOM 252 C VAL A 22 0.448 -6.378 -6.812 1.00 0.00 C ATOM 253 O VAL A 22 -0.067 -6.363 -7.929 1.00 0.00 O ATOM 254 CB VAL A 22 1.544 -4.079 -6.973 1.00 0.00 C ATOM 255 CG1 VAL A 22 0.268 -3.452 -6.408 1.00 0.00 C ATOM 256 CG2 VAL A 22 2.776 -3.258 -6.587 1.00 0.00 C ATOM 0 H VAL A 22 3.102 -5.731 -8.052 1.00 0.00 H new ATOM 0 HA VAL A 22 1.817 -5.507 -5.435 1.00 0.00 H new ATOM 0 HB VAL A 22 1.466 -4.075 -8.060 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.189 -2.419 -6.747 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -0.598 -4.015 -6.755 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.303 -3.474 -5.319 1.00 0.00 H new ATOM 0 HG21 VAL A 22 2.647 -2.229 -6.923 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.899 -3.274 -5.504 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.661 -3.686 -7.059 1.00 0.00 H new ATOM 266 N THR A 23 0.004 -7.095 -5.790 1.00 0.00 N ATOM 267 CA THR A 23 -1.167 -7.945 -5.925 1.00 0.00 C ATOM 268 C THR A 23 -1.891 -8.073 -4.584 1.00 0.00 C ATOM 269 O THR A 23 -1.319 -7.779 -3.535 1.00 0.00 O ATOM 270 CB THR A 23 -0.712 -9.288 -6.501 1.00 0.00 C ATOM 271 OG1 THR A 23 -1.924 -9.923 -6.899 1.00 0.00 O ATOM 272 CG2 THR A 23 -0.138 -10.219 -5.431 1.00 0.00 C ATOM 0 H THR A 23 0.434 -7.105 -4.865 1.00 0.00 H new ATOM 0 HA THR A 23 -1.894 -7.510 -6.611 1.00 0.00 H new ATOM 0 HB THR A 23 0.038 -9.117 -7.274 1.00 0.00 H new ATOM 0 HG1 THR A 23 -1.722 -10.801 -7.286 1.00 0.00 H new ATOM 0 HG21 THR A 23 0.170 -11.157 -5.892 1.00 0.00 H new ATOM 0 HG22 THR A 23 0.724 -9.746 -4.961 1.00 0.00 H new ATOM 0 HG23 THR A 23 -0.898 -10.418 -4.676 1.00 0.00 H new ATOM 280 N LEU A 24 -3.139 -8.513 -4.660 1.00 0.00 N ATOM 281 CA LEU A 24 -3.947 -8.683 -3.465 1.00 0.00 C ATOM 282 C LEU A 24 -4.309 -10.161 -3.306 1.00 0.00 C ATOM 283 O LEU A 24 -4.288 -10.917 -4.276 1.00 0.00 O ATOM 284 CB LEU A 24 -5.161 -7.753 -3.502 1.00 0.00 C ATOM 285 CG LEU A 24 -4.858 -6.258 -3.623 1.00 0.00 C ATOM 286 CD1 LEU A 24 -6.104 -5.479 -4.047 1.00 0.00 C ATOM 287 CD2 LEU A 24 -4.255 -5.714 -2.326 1.00 0.00 C ATOM 0 H LEU A 24 -3.610 -8.757 -5.531 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.382 -8.395 -2.579 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.792 -8.045 -4.342 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.744 -7.913 -2.595 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.112 -6.123 -4.406 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.861 -4.419 -4.126 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.450 -5.845 -5.014 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.890 -5.617 -3.304 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.049 -4.650 -2.439 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.959 -5.863 -1.507 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.327 -6.242 -2.107 1.00 0.00 H new ATOM 299 N GLN A 25 -4.632 -10.529 -2.075 1.00 0.00 N ATOM 300 CA GLN A 25 -4.998 -11.903 -1.776 1.00 0.00 C ATOM 301 C GLN A 25 -5.759 -11.974 -0.451 1.00 0.00 C ATOM 302 O GLN A 25 -5.218 -11.628 0.599 1.00 0.00 O ATOM 303 CB GLN A 25 -3.763 -12.806 -1.748 1.00 0.00 C ATOM 304 CG GLN A 25 -4.122 -14.238 -2.148 1.00 0.00 C ATOM 305 CD GLN A 25 -2.935 -14.935 -2.815 1.00 0.00 C ATOM 306 OE1 GLN A 25 -2.899 -15.144 -4.016 1.00 0.00 O ATOM 307 NE2 GLN A 25 -1.967 -15.283 -1.971 1.00 0.00 N ATOM 0 H GLN A 25 -4.648 -9.899 -1.273 1.00 0.00 H new ATOM 0 HA GLN A 25 -5.654 -12.264 -2.569 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -3.006 -12.414 -2.427 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -3.328 -12.802 -0.749 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -4.429 -14.800 -1.266 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -4.972 -14.227 -2.830 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -2.060 -15.078 -0.976 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -1.132 -15.754 -2.319 1.00 0.00 H new ATOM 316 N PRO A 26 -7.035 -12.435 -0.544 1.00 0.00 N ATOM 317 CA PRO A 26 -7.876 -12.556 0.635 1.00 0.00 C ATOM 318 C PRO A 26 -7.464 -13.762 1.481 1.00 0.00 C ATOM 319 O PRO A 26 -7.477 -14.895 1.001 1.00 0.00 O ATOM 320 CB PRO A 26 -9.293 -12.663 0.098 1.00 0.00 C ATOM 321 CG PRO A 26 -9.157 -13.065 -1.362 1.00 0.00 C ATOM 322 CD PRO A 26 -7.708 -12.854 -1.770 1.00 0.00 C ATOM 0 HA PRO A 26 -7.783 -11.703 1.308 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -9.867 -13.404 0.655 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -9.820 -11.714 0.194 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -9.444 -14.107 -1.499 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -9.820 -12.466 -1.986 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -7.271 -13.770 -2.168 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -7.622 -12.095 -2.548 1.00 0.00 H new ATOM 330 N VAL A 27 -7.109 -13.479 2.725 1.00 0.00 N ATOM 331 CA VAL A 27 -6.695 -14.526 3.643 1.00 0.00 C ATOM 332 C VAL A 27 -7.861 -14.878 4.569 1.00 0.00 C ATOM 333 O VAL A 27 -8.020 -16.033 4.961 1.00 0.00 O ATOM 334 CB VAL A 27 -5.439 -14.091 4.401 1.00 0.00 C ATOM 335 CG1 VAL A 27 -4.188 -14.269 3.539 1.00 0.00 C ATOM 336 CG2 VAL A 27 -5.567 -12.647 4.891 1.00 0.00 C ATOM 0 H VAL A 27 -7.099 -12.538 3.119 1.00 0.00 H new ATOM 0 HA VAL A 27 -6.431 -15.431 3.096 1.00 0.00 H new ATOM 0 HB VAL A 27 -5.336 -14.734 5.275 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -3.310 -13.952 4.102 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -4.083 -15.318 3.263 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -4.278 -13.664 2.637 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -4.661 -12.363 5.426 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -5.707 -11.984 4.037 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -6.424 -12.564 5.559 1.00 0.00 H new ATOM 346 N THR A 28 -8.646 -13.861 4.892 1.00 0.00 N ATOM 347 CA THR A 28 -9.793 -14.048 5.764 1.00 0.00 C ATOM 348 C THR A 28 -11.088 -13.708 5.024 1.00 0.00 C ATOM 349 O THR A 28 -11.194 -13.929 3.818 1.00 0.00 O ATOM 350 CB THR A 28 -9.572 -13.206 7.022 1.00 0.00 C ATOM 351 OG1 THR A 28 -9.578 -11.863 6.546 1.00 0.00 O ATOM 352 CG2 THR A 28 -8.171 -13.387 7.610 1.00 0.00 C ATOM 0 H THR A 28 -8.510 -12.904 4.565 1.00 0.00 H new ATOM 0 HA THR A 28 -9.894 -15.090 6.066 1.00 0.00 H new ATOM 0 HB THR A 28 -10.317 -13.472 7.772 1.00 0.00 H new ATOM 0 HG1 THR A 28 -10.062 -11.293 7.180 1.00 0.00 H new ATOM 0 HG21 THR A 28 -8.067 -12.767 8.501 1.00 0.00 H new ATOM 0 HG22 THR A 28 -8.021 -14.433 7.876 1.00 0.00 H new ATOM 0 HG23 THR A 28 -7.426 -13.090 6.872 1.00 0.00 H new ATOM 360 N SER A 29 -12.039 -13.175 5.776 1.00 0.00 N ATOM 361 CA SER A 29 -13.323 -12.802 5.207 1.00 0.00 C ATOM 362 C SER A 29 -13.487 -11.281 5.238 1.00 0.00 C ATOM 363 O SER A 29 -14.239 -10.717 4.445 1.00 0.00 O ATOM 364 CB SER A 29 -14.474 -13.476 5.955 1.00 0.00 C ATOM 365 OG SER A 29 -14.356 -14.896 5.949 1.00 0.00 O ATOM 0 H SER A 29 -11.946 -12.992 6.775 1.00 0.00 H new ATOM 0 HA SER A 29 -13.350 -13.143 4.172 1.00 0.00 H new ATOM 0 HB2 SER A 29 -14.496 -13.118 6.984 1.00 0.00 H new ATOM 0 HB3 SER A 29 -15.421 -13.189 5.498 1.00 0.00 H new ATOM 0 HG SER A 29 -14.108 -15.200 5.051 1.00 0.00 H new ATOM 371 N GLN A 30 -12.770 -10.659 6.164 1.00 0.00 N ATOM 372 CA GLN A 30 -12.827 -9.215 6.309 1.00 0.00 C ATOM 373 C GLN A 30 -11.415 -8.625 6.305 1.00 0.00 C ATOM 374 O GLN A 30 -11.128 -7.687 7.047 1.00 0.00 O ATOM 375 CB GLN A 30 -13.582 -8.821 7.581 1.00 0.00 C ATOM 376 CG GLN A 30 -15.018 -9.349 7.551 1.00 0.00 C ATOM 377 CD GLN A 30 -15.327 -10.165 8.808 1.00 0.00 C ATOM 378 OE1 GLN A 30 -15.162 -9.714 9.929 1.00 0.00 O ATOM 379 NE2 GLN A 30 -15.785 -11.389 8.559 1.00 0.00 N ATOM 0 H GLN A 30 -12.147 -11.129 6.821 1.00 0.00 H new ATOM 0 HA GLN A 30 -13.374 -8.805 5.460 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -13.063 -9.217 8.454 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -13.592 -7.736 7.681 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -15.715 -8.514 7.474 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -15.163 -9.968 6.666 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -15.900 -11.704 7.596 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -16.021 -12.012 9.331 1.00 0.00 H new ATOM 388 N SER A 31 -10.571 -9.200 5.461 1.00 0.00 N ATOM 389 CA SER A 31 -9.196 -8.743 5.350 1.00 0.00 C ATOM 390 C SER A 31 -8.571 -9.272 4.059 1.00 0.00 C ATOM 391 O SER A 31 -9.127 -10.161 3.414 1.00 0.00 O ATOM 392 CB SER A 31 -8.370 -9.184 6.560 1.00 0.00 C ATOM 393 OG SER A 31 -7.173 -8.423 6.696 1.00 0.00 O ATOM 0 H SER A 31 -10.813 -9.978 4.848 1.00 0.00 H new ATOM 0 HA SER A 31 -9.199 -7.653 5.324 1.00 0.00 H new ATOM 0 HB2 SER A 31 -8.969 -9.082 7.465 1.00 0.00 H new ATOM 0 HB3 SER A 31 -8.119 -10.240 6.462 1.00 0.00 H new ATOM 0 HG SER A 31 -7.106 -8.079 7.611 1.00 0.00 H new ATOM 399 N ILE A 32 -7.423 -8.705 3.718 1.00 0.00 N ATOM 400 CA ILE A 32 -6.716 -9.109 2.515 1.00 0.00 C ATOM 401 C ILE A 32 -5.211 -8.945 2.733 1.00 0.00 C ATOM 402 O ILE A 32 -4.784 -8.164 3.583 1.00 0.00 O ATOM 403 CB ILE A 32 -7.248 -8.346 1.299 1.00 0.00 C ATOM 404 CG1 ILE A 32 -8.708 -8.709 1.020 1.00 0.00 C ATOM 405 CG2 ILE A 32 -6.357 -8.573 0.077 1.00 0.00 C ATOM 406 CD1 ILE A 32 -9.231 -7.968 -0.212 1.00 0.00 C ATOM 0 H ILE A 32 -6.965 -7.968 4.255 1.00 0.00 H new ATOM 0 HA ILE A 32 -6.895 -10.163 2.305 1.00 0.00 H new ATOM 0 HB ILE A 32 -7.219 -7.280 1.525 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -8.796 -9.785 0.867 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -9.321 -8.459 1.886 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -6.757 -8.020 -0.773 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -5.347 -8.225 0.293 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -6.331 -9.636 -0.162 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -10.271 -8.244 -0.388 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -9.164 -6.893 -0.046 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -8.631 -8.239 -1.081 1.00 0.00 H new ATOM 418 N GLN A 33 -4.447 -9.693 1.951 1.00 0.00 N ATOM 419 CA GLN A 33 -2.998 -9.641 2.048 1.00 0.00 C ATOM 420 C GLN A 33 -2.410 -8.922 0.832 1.00 0.00 C ATOM 421 O GLN A 33 -2.522 -9.406 -0.293 1.00 0.00 O ATOM 422 CB GLN A 33 -2.407 -11.044 2.195 1.00 0.00 C ATOM 423 CG GLN A 33 -0.915 -10.979 2.530 1.00 0.00 C ATOM 424 CD GLN A 33 -0.330 -12.382 2.701 1.00 0.00 C ATOM 425 OE1 GLN A 33 -0.773 -13.346 2.098 1.00 0.00 O ATOM 426 NE2 GLN A 33 0.688 -12.443 3.555 1.00 0.00 N ATOM 0 H GLN A 33 -4.804 -10.339 1.247 1.00 0.00 H new ATOM 0 HA GLN A 33 -2.733 -9.076 2.942 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -2.936 -11.585 2.980 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -2.552 -11.602 1.270 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -0.383 -10.454 1.737 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -0.769 -10.406 3.446 1.00 0.00 H new ATOM 0 HE21 GLN A 33 1.009 -11.598 4.027 1.00 0.00 H new ATOM 0 HE22 GLN A 33 1.147 -13.335 3.738 1.00 0.00 H new ATOM 435 N VAL A 34 -1.795 -7.779 1.100 1.00 0.00 N ATOM 436 CA VAL A 34 -1.190 -6.989 0.041 1.00 0.00 C ATOM 437 C VAL A 34 0.325 -7.205 0.053 1.00 0.00 C ATOM 438 O VAL A 34 1.018 -6.718 0.945 1.00 0.00 O ATOM 439 CB VAL A 34 -1.585 -5.519 0.193 1.00 0.00 C ATOM 440 CG1 VAL A 34 -1.004 -4.675 -0.943 1.00 0.00 C ATOM 441 CG2 VAL A 34 -3.106 -5.366 0.269 1.00 0.00 C ATOM 0 H VAL A 34 -1.703 -7.381 2.035 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.558 -7.311 -0.933 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.164 -5.153 1.130 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.300 -3.634 -0.811 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.084 -4.748 -0.931 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.381 -5.041 -1.898 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.361 -4.312 0.377 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.557 -5.757 -0.643 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -3.485 -5.920 1.127 1.00 0.00 H new ATOM 451 N THR A 35 0.794 -7.936 -0.948 1.00 0.00 N ATOM 452 CA THR A 35 2.214 -8.222 -1.064 1.00 0.00 C ATOM 453 C THR A 35 2.814 -7.470 -2.253 1.00 0.00 C ATOM 454 O THR A 35 2.214 -7.418 -3.326 1.00 0.00 O ATOM 455 CB THR A 35 2.385 -9.739 -1.155 1.00 0.00 C ATOM 456 OG1 THR A 35 1.235 -10.175 -1.875 1.00 0.00 O ATOM 457 CG2 THR A 35 2.255 -10.427 0.206 1.00 0.00 C ATOM 0 H THR A 35 0.216 -8.339 -1.686 1.00 0.00 H new ATOM 0 HA THR A 35 2.761 -7.871 -0.189 1.00 0.00 H new ATOM 0 HB THR A 35 3.360 -9.969 -1.586 1.00 0.00 H new ATOM 0 HG1 THR A 35 1.265 -11.149 -1.981 1.00 0.00 H new ATOM 0 HG21 THR A 35 2.385 -11.502 0.084 1.00 0.00 H new ATOM 0 HG22 THR A 35 3.019 -10.044 0.882 1.00 0.00 H new ATOM 0 HG23 THR A 35 1.268 -10.226 0.623 1.00 0.00 H new ATOM 465 N TRP A 36 3.991 -6.906 -2.023 1.00 0.00 N ATOM 466 CA TRP A 36 4.679 -6.159 -3.063 1.00 0.00 C ATOM 467 C TRP A 36 6.182 -6.249 -2.793 1.00 0.00 C ATOM 468 O TRP A 36 6.599 -6.555 -1.677 1.00 0.00 O ATOM 469 CB TRP A 36 4.169 -4.719 -3.132 1.00 0.00 C ATOM 470 CG TRP A 36 4.519 -3.875 -1.905 1.00 0.00 C ATOM 471 CD1 TRP A 36 5.672 -3.247 -1.637 1.00 0.00 C ATOM 472 CD2 TRP A 36 3.657 -3.590 -0.783 1.00 0.00 C ATOM 473 NE1 TRP A 36 5.616 -2.581 -0.429 1.00 0.00 N ATOM 474 CE2 TRP A 36 4.352 -2.797 0.106 1.00 0.00 C ATOM 475 CE3 TRP A 36 2.333 -3.990 -0.528 1.00 0.00 C ATOM 476 CZ2 TRP A 36 3.807 -2.335 1.310 1.00 0.00 C ATOM 477 CZ3 TRP A 36 1.802 -3.521 0.679 1.00 0.00 C ATOM 478 CH2 TRP A 36 2.489 -2.721 1.585 1.00 0.00 C ATOM 0 H TRP A 36 4.486 -6.951 -1.132 1.00 0.00 H new ATOM 0 HA TRP A 36 4.475 -6.587 -4.045 1.00 0.00 H new ATOM 0 HB2 TRP A 36 4.583 -4.240 -4.020 1.00 0.00 H new ATOM 0 HB3 TRP A 36 3.086 -4.734 -3.253 1.00 0.00 H new ATOM 0 HD1 TRP A 36 6.536 -3.260 -2.284 1.00 0.00 H new ATOM 0 HE1 TRP A 36 6.365 -2.032 -0.007 1.00 0.00 H new ATOM 0 HE3 TRP A 36 1.770 -4.610 -1.210 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 4.372 -1.715 1.990 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 0.788 -3.800 0.924 1.00 0.00 H new ATOM 0 HH2 TRP A 36 2.008 -2.399 2.497 1.00 0.00 H new ATOM 489 N LYS A 37 6.955 -5.976 -3.834 1.00 0.00 N ATOM 490 CA LYS A 37 8.403 -6.021 -3.724 1.00 0.00 C ATOM 491 C LYS A 37 8.975 -4.628 -3.995 1.00 0.00 C ATOM 492 O LYS A 37 8.345 -3.815 -4.667 1.00 0.00 O ATOM 493 CB LYS A 37 8.976 -7.109 -4.634 1.00 0.00 C ATOM 494 CG LYS A 37 8.577 -8.502 -4.142 1.00 0.00 C ATOM 495 CD LYS A 37 9.093 -9.587 -5.089 1.00 0.00 C ATOM 496 CE LYS A 37 9.830 -10.684 -4.318 1.00 0.00 C ATOM 497 NZ LYS A 37 9.836 -11.946 -5.090 1.00 0.00 N ATOM 0 H LYS A 37 6.605 -5.723 -4.758 1.00 0.00 H new ATOM 0 HA LYS A 37 8.699 -6.296 -2.712 1.00 0.00 H new ATOM 0 HB2 LYS A 37 8.617 -6.963 -5.653 1.00 0.00 H new ATOM 0 HB3 LYS A 37 10.063 -7.028 -4.664 1.00 0.00 H new ATOM 0 HG2 LYS A 37 8.978 -8.667 -3.142 1.00 0.00 H new ATOM 0 HG3 LYS A 37 7.492 -8.567 -4.065 1.00 0.00 H new ATOM 0 HD2 LYS A 37 8.258 -10.022 -5.638 1.00 0.00 H new ATOM 0 HD3 LYS A 37 9.763 -9.143 -5.826 1.00 0.00 H new ATOM 0 HE2 LYS A 37 10.854 -10.370 -4.116 1.00 0.00 H new ATOM 0 HE3 LYS A 37 9.350 -10.844 -3.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 10.340 -12.680 -4.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 8.857 -12.253 -5.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 10.315 -11.794 -6.001 1.00 0.00 H new ATOM 511 N ALA A 38 10.164 -4.397 -3.457 1.00 0.00 N ATOM 512 CA ALA A 38 10.828 -3.117 -3.632 1.00 0.00 C ATOM 513 C ALA A 38 10.619 -2.631 -5.068 1.00 0.00 C ATOM 514 O ALA A 38 10.674 -3.422 -6.009 1.00 0.00 O ATOM 515 CB ALA A 38 12.309 -3.256 -3.274 1.00 0.00 C ATOM 0 H ALA A 38 10.684 -5.075 -2.900 1.00 0.00 H new ATOM 0 HA ALA A 38 10.400 -2.369 -2.965 1.00 0.00 H new ATOM 0 HB1 ALA A 38 12.807 -2.295 -3.405 1.00 0.00 H new ATOM 0 HB2 ALA A 38 12.404 -3.575 -2.236 1.00 0.00 H new ATOM 0 HB3 ALA A 38 12.773 -3.997 -3.925 1.00 0.00 H new ATOM 521 N PRO A 39 10.378 -1.299 -5.195 1.00 0.00 N ATOM 522 CA PRO A 39 10.161 -0.698 -6.500 1.00 0.00 C ATOM 523 C PRO A 39 11.477 -0.569 -7.270 1.00 0.00 C ATOM 524 O PRO A 39 12.542 -0.885 -6.743 1.00 0.00 O ATOM 525 CB PRO A 39 9.507 0.643 -6.212 1.00 0.00 C ATOM 526 CG PRO A 39 9.804 0.947 -4.753 1.00 0.00 C ATOM 527 CD PRO A 39 10.307 -0.332 -4.103 1.00 0.00 C ATOM 0 HA PRO A 39 9.524 -1.306 -7.143 1.00 0.00 H new ATOM 0 HB2 PRO A 39 9.908 1.421 -6.862 1.00 0.00 H new ATOM 0 HB3 PRO A 39 8.433 0.600 -6.391 1.00 0.00 H new ATOM 0 HG2 PRO A 39 10.552 1.736 -4.672 1.00 0.00 H new ATOM 0 HG3 PRO A 39 8.907 1.305 -4.247 1.00 0.00 H new ATOM 0 HD2 PRO A 39 11.283 -0.184 -3.641 1.00 0.00 H new ATOM 0 HD3 PRO A 39 9.631 -0.670 -3.318 1.00 0.00 H new ATOM 535 N LYS A 40 11.360 -0.103 -8.505 1.00 0.00 N ATOM 536 CA LYS A 40 12.527 0.072 -9.353 1.00 0.00 C ATOM 537 C LYS A 40 13.692 0.592 -8.508 1.00 0.00 C ATOM 538 O LYS A 40 13.493 1.398 -7.600 1.00 0.00 O ATOM 539 CB LYS A 40 12.190 0.962 -10.551 1.00 0.00 C ATOM 540 CG LYS A 40 12.027 0.130 -11.824 1.00 0.00 C ATOM 541 CD LYS A 40 10.557 -0.216 -12.069 1.00 0.00 C ATOM 542 CE LYS A 40 10.419 -1.287 -13.153 1.00 0.00 C ATOM 543 NZ LYS A 40 9.473 -0.845 -14.201 1.00 0.00 N ATOM 0 H LYS A 40 10.475 0.159 -8.939 1.00 0.00 H new ATOM 0 HA LYS A 40 12.840 -0.884 -9.774 1.00 0.00 H new ATOM 0 HB2 LYS A 40 11.271 1.513 -10.352 1.00 0.00 H new ATOM 0 HB3 LYS A 40 12.979 1.700 -10.693 1.00 0.00 H new ATOM 0 HG2 LYS A 40 12.421 0.683 -12.677 1.00 0.00 H new ATOM 0 HG3 LYS A 40 12.611 -0.787 -11.741 1.00 0.00 H new ATOM 0 HD2 LYS A 40 10.104 -0.570 -11.143 1.00 0.00 H new ATOM 0 HD3 LYS A 40 10.014 0.681 -12.367 1.00 0.00 H new ATOM 0 HE2 LYS A 40 11.393 -1.491 -13.597 1.00 0.00 H new ATOM 0 HE3 LYS A 40 10.070 -2.219 -12.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 9.391 -1.584 -14.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 8.540 -0.673 -13.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 9.822 0.033 -14.636 1.00 0.00 H new ATOM 557 N LYS A 41 14.881 0.110 -8.837 1.00 0.00 N ATOM 558 CA LYS A 41 16.078 0.516 -8.120 1.00 0.00 C ATOM 559 C LYS A 41 16.444 1.947 -8.518 1.00 0.00 C ATOM 560 O LYS A 41 16.557 2.824 -7.663 1.00 0.00 O ATOM 561 CB LYS A 41 17.206 -0.493 -8.346 1.00 0.00 C ATOM 562 CG LYS A 41 18.569 0.134 -8.047 1.00 0.00 C ATOM 563 CD LYS A 41 18.774 0.310 -6.541 1.00 0.00 C ATOM 564 CE LYS A 41 19.330 1.700 -6.222 1.00 0.00 C ATOM 565 NZ LYS A 41 18.238 2.616 -5.823 1.00 0.00 N ATOM 0 H LYS A 41 15.041 -0.558 -9.591 1.00 0.00 H new ATOM 0 HA LYS A 41 15.896 0.520 -7.045 1.00 0.00 H new ATOM 0 HB2 LYS A 41 17.054 -1.363 -7.708 1.00 0.00 H new ATOM 0 HB3 LYS A 41 17.182 -0.846 -9.377 1.00 0.00 H new ATOM 0 HG2 LYS A 41 19.360 -0.496 -8.454 1.00 0.00 H new ATOM 0 HG3 LYS A 41 18.645 1.101 -8.543 1.00 0.00 H new ATOM 0 HD2 LYS A 41 17.826 0.166 -6.022 1.00 0.00 H new ATOM 0 HD3 LYS A 41 19.459 -0.453 -6.172 1.00 0.00 H new ATOM 0 HE2 LYS A 41 20.064 1.629 -5.420 1.00 0.00 H new ATOM 0 HE3 LYS A 41 19.848 2.100 -7.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 18.639 3.446 -5.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 17.717 2.925 -6.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 17.589 2.122 -5.178 1.00 0.00 H new ATOM 579 N GLU A 42 16.620 2.140 -9.817 1.00 0.00 N ATOM 580 CA GLU A 42 16.971 3.450 -10.339 1.00 0.00 C ATOM 581 C GLU A 42 15.887 4.470 -9.987 1.00 0.00 C ATOM 582 O GLU A 42 16.103 5.675 -10.100 1.00 0.00 O ATOM 583 CB GLU A 42 17.201 3.394 -11.851 1.00 0.00 C ATOM 584 CG GLU A 42 15.874 3.448 -12.610 1.00 0.00 C ATOM 585 CD GLU A 42 16.097 3.294 -14.116 1.00 0.00 C ATOM 586 OE1 GLU A 42 16.364 4.332 -14.759 1.00 0.00 O ATOM 587 OE2 GLU A 42 15.996 2.142 -14.590 1.00 0.00 O ATOM 0 H GLU A 42 16.526 1.411 -10.524 1.00 0.00 H new ATOM 0 HA GLU A 42 17.905 3.766 -9.874 1.00 0.00 H new ATOM 0 HB2 GLU A 42 17.833 4.227 -12.157 1.00 0.00 H new ATOM 0 HB3 GLU A 42 17.734 2.478 -12.108 1.00 0.00 H new ATOM 0 HG2 GLU A 42 15.215 2.657 -12.254 1.00 0.00 H new ATOM 0 HG3 GLU A 42 15.374 4.395 -12.408 1.00 0.00 H new ATOM 594 N LEU A 43 14.743 3.949 -9.566 1.00 0.00 N ATOM 595 CA LEU A 43 13.624 4.799 -9.197 1.00 0.00 C ATOM 596 C LEU A 43 13.544 4.895 -7.672 1.00 0.00 C ATOM 597 O LEU A 43 13.177 5.936 -7.130 1.00 0.00 O ATOM 598 CB LEU A 43 12.334 4.301 -9.851 1.00 0.00 C ATOM 599 CG LEU A 43 12.328 4.266 -11.380 1.00 0.00 C ATOM 600 CD1 LEU A 43 10.991 3.744 -11.911 1.00 0.00 C ATOM 601 CD2 LEU A 43 12.680 5.636 -11.962 1.00 0.00 C ATOM 0 H LEU A 43 14.567 2.949 -9.472 1.00 0.00 H new ATOM 0 HA LEU A 43 13.774 5.811 -9.573 1.00 0.00 H new ATOM 0 HB2 LEU A 43 12.128 3.296 -9.483 1.00 0.00 H new ATOM 0 HB3 LEU A 43 11.513 4.936 -9.519 1.00 0.00 H new ATOM 0 HG LEU A 43 13.099 3.569 -11.708 1.00 0.00 H new ATOM 0 HD11 LEU A 43 11.013 3.729 -13.001 1.00 0.00 H new ATOM 0 HD12 LEU A 43 10.821 2.734 -11.538 1.00 0.00 H new ATOM 0 HD13 LEU A 43 10.186 4.396 -11.573 1.00 0.00 H new ATOM 0 HD21 LEU A 43 12.668 5.583 -13.051 1.00 0.00 H new ATOM 0 HD22 LEU A 43 11.949 6.372 -11.627 1.00 0.00 H new ATOM 0 HD23 LEU A 43 13.673 5.931 -11.624 1.00 0.00 H new ATOM 613 N GLN A 44 13.893 3.794 -7.023 1.00 0.00 N ATOM 614 CA GLN A 44 13.865 3.740 -5.571 1.00 0.00 C ATOM 615 C GLN A 44 14.325 5.075 -4.982 1.00 0.00 C ATOM 616 O GLN A 44 13.861 5.480 -3.917 1.00 0.00 O ATOM 617 CB GLN A 44 14.722 2.586 -5.048 1.00 0.00 C ATOM 618 CG GLN A 44 13.848 1.415 -4.596 1.00 0.00 C ATOM 619 CD GLN A 44 14.645 0.438 -3.729 1.00 0.00 C ATOM 620 OE1 GLN A 44 14.671 0.526 -2.512 1.00 0.00 O ATOM 621 NE2 GLN A 44 15.291 -0.496 -4.421 1.00 0.00 N ATOM 0 H GLN A 44 14.197 2.932 -7.476 1.00 0.00 H new ATOM 0 HA GLN A 44 12.838 3.559 -5.253 1.00 0.00 H new ATOM 0 HB2 GLN A 44 15.406 2.254 -5.829 1.00 0.00 H new ATOM 0 HB3 GLN A 44 15.333 2.931 -4.214 1.00 0.00 H new ATOM 0 HG2 GLN A 44 12.993 1.791 -4.034 1.00 0.00 H new ATOM 0 HG3 GLN A 44 13.453 0.894 -5.468 1.00 0.00 H new ATOM 0 HE21 GLN A 44 15.227 -0.513 -5.439 1.00 0.00 H new ATOM 0 HE22 GLN A 44 15.851 -1.196 -3.934 1.00 0.00 H new ATOM 630 N ASN A 45 15.232 5.722 -5.700 1.00 0.00 N ATOM 631 CA ASN A 45 15.760 7.002 -5.261 1.00 0.00 C ATOM 632 C ASN A 45 16.202 6.894 -3.801 1.00 0.00 C ATOM 633 O ASN A 45 15.856 7.741 -2.979 1.00 0.00 O ATOM 634 CB ASN A 45 14.695 8.097 -5.352 1.00 0.00 C ATOM 635 CG ASN A 45 14.606 8.658 -6.773 1.00 0.00 C ATOM 636 OD1 ASN A 45 15.601 8.913 -7.431 1.00 0.00 O ATOM 637 ND2 ASN A 45 13.361 8.836 -7.207 1.00 0.00 N ATOM 0 H ASN A 45 15.614 5.383 -6.583 1.00 0.00 H new ATOM 0 HA ASN A 45 16.599 7.259 -5.907 1.00 0.00 H new ATOM 0 HB2 ASN A 45 13.727 7.693 -5.055 1.00 0.00 H new ATOM 0 HB3 ASN A 45 14.933 8.900 -4.654 1.00 0.00 H new ATOM 0 HD21 ASN A 45 13.195 9.207 -8.143 1.00 0.00 H new ATOM 0 HD22 ASN A 45 12.572 8.602 -6.604 1.00 0.00 H new ATOM 644 N GLY A 46 16.961 5.844 -3.522 1.00 0.00 N ATOM 645 CA GLY A 46 17.454 5.613 -2.175 1.00 0.00 C ATOM 646 C GLY A 46 16.562 4.621 -1.427 1.00 0.00 C ATOM 647 O GLY A 46 15.543 4.177 -1.953 1.00 0.00 O ATOM 0 H GLY A 46 17.247 5.144 -4.206 1.00 0.00 H new ATOM 0 HA2 GLY A 46 18.474 5.230 -2.218 1.00 0.00 H new ATOM 0 HA3 GLY A 46 17.491 6.557 -1.631 1.00 0.00 H new ATOM 651 N VAL A 47 16.978 4.301 -0.210 1.00 0.00 N ATOM 652 CA VAL A 47 16.229 3.370 0.616 1.00 0.00 C ATOM 653 C VAL A 47 14.807 3.897 0.812 1.00 0.00 C ATOM 654 O VAL A 47 14.514 5.044 0.474 1.00 0.00 O ATOM 655 CB VAL A 47 16.966 3.132 1.936 1.00 0.00 C ATOM 656 CG1 VAL A 47 17.060 4.424 2.751 1.00 0.00 C ATOM 657 CG2 VAL A 47 16.295 2.021 2.746 1.00 0.00 C ATOM 0 H VAL A 47 17.824 4.670 0.223 1.00 0.00 H new ATOM 0 HA VAL A 47 16.150 2.401 0.123 1.00 0.00 H new ATOM 0 HB VAL A 47 17.980 2.809 1.700 1.00 0.00 H new ATOM 0 HG11 VAL A 47 17.588 4.228 3.684 1.00 0.00 H new ATOM 0 HG12 VAL A 47 17.602 5.177 2.179 1.00 0.00 H new ATOM 0 HG13 VAL A 47 16.057 4.789 2.971 1.00 0.00 H new ATOM 0 HG21 VAL A 47 16.838 1.872 3.679 1.00 0.00 H new ATOM 0 HG22 VAL A 47 15.265 2.303 2.967 1.00 0.00 H new ATOM 0 HG23 VAL A 47 16.302 1.096 2.170 1.00 0.00 H new ATOM 667 N ILE A 48 13.960 3.036 1.356 1.00 0.00 N ATOM 668 CA ILE A 48 12.575 3.401 1.600 1.00 0.00 C ATOM 669 C ILE A 48 12.280 3.295 3.098 1.00 0.00 C ATOM 670 O ILE A 48 12.598 2.287 3.727 1.00 0.00 O ATOM 671 CB ILE A 48 11.638 2.563 0.728 1.00 0.00 C ATOM 672 CG1 ILE A 48 12.183 2.433 -0.696 1.00 0.00 C ATOM 673 CG2 ILE A 48 10.216 3.129 0.749 1.00 0.00 C ATOM 674 CD1 ILE A 48 11.952 3.720 -1.490 1.00 0.00 C ATOM 0 H ILE A 48 14.206 2.086 1.635 1.00 0.00 H new ATOM 0 HA ILE A 48 12.398 4.437 1.312 1.00 0.00 H new ATOM 0 HB ILE A 48 11.590 1.558 1.147 1.00 0.00 H new ATOM 0 HG12 ILE A 48 13.249 2.208 -0.662 1.00 0.00 H new ATOM 0 HG13 ILE A 48 11.697 1.598 -1.201 1.00 0.00 H new ATOM 0 HG21 ILE A 48 9.571 2.515 0.121 1.00 0.00 H new ATOM 0 HG22 ILE A 48 9.838 3.125 1.771 1.00 0.00 H new ATOM 0 HG23 ILE A 48 10.225 4.151 0.369 1.00 0.00 H new ATOM 0 HD11 ILE A 48 12.348 3.601 -2.498 1.00 0.00 H new ATOM 0 HD12 ILE A 48 10.883 3.928 -1.542 1.00 0.00 H new ATOM 0 HD13 ILE A 48 12.459 4.548 -0.996 1.00 0.00 H new ATOM 686 N ARG A 49 11.676 4.349 3.626 1.00 0.00 N ATOM 687 CA ARG A 49 11.335 4.388 5.038 1.00 0.00 C ATOM 688 C ARG A 49 10.073 3.564 5.302 1.00 0.00 C ATOM 689 O ARG A 49 9.884 3.046 6.401 1.00 0.00 O ATOM 690 CB ARG A 49 11.106 5.825 5.511 1.00 0.00 C ATOM 691 CG ARG A 49 12.396 6.643 5.423 1.00 0.00 C ATOM 692 CD ARG A 49 12.945 6.951 6.818 1.00 0.00 C ATOM 693 NE ARG A 49 14.384 7.286 6.733 1.00 0.00 N ATOM 694 CZ ARG A 49 15.358 6.381 6.568 1.00 0.00 C ATOM 695 NH1 ARG A 49 15.054 5.080 6.469 1.00 0.00 N ATOM 696 NH2 ARG A 49 16.637 6.777 6.501 1.00 0.00 N ATOM 0 H ARG A 49 11.414 5.183 3.101 1.00 0.00 H new ATOM 0 HA ARG A 49 12.172 3.965 5.593 1.00 0.00 H new ATOM 0 HB2 ARG A 49 10.332 6.293 4.903 1.00 0.00 H new ATOM 0 HB3 ARG A 49 10.744 5.820 6.539 1.00 0.00 H new ATOM 0 HG2 ARG A 49 13.141 6.093 4.848 1.00 0.00 H new ATOM 0 HG3 ARG A 49 12.205 7.574 4.889 1.00 0.00 H new ATOM 0 HD2 ARG A 49 12.395 7.782 7.259 1.00 0.00 H new ATOM 0 HD3 ARG A 49 12.801 6.091 7.472 1.00 0.00 H new ATOM 0 HE ARG A 49 14.651 8.268 6.805 1.00 0.00 H new ATOM 0 HH11 ARG A 49 14.081 4.778 6.519 1.00 0.00 H new ATOM 0 HH12 ARG A 49 15.796 4.391 6.343 1.00 0.00 H new ATOM 0 HH21 ARG A 49 16.869 7.768 6.576 1.00 0.00 H new ATOM 0 HH22 ARG A 49 17.378 6.088 6.375 1.00 0.00 H new ATOM 710 N GLY A 50 9.242 3.468 4.274 1.00 0.00 N ATOM 711 CA GLY A 50 8.004 2.716 4.381 1.00 0.00 C ATOM 712 C GLY A 50 7.150 2.885 3.123 1.00 0.00 C ATOM 713 O GLY A 50 7.563 3.545 2.171 1.00 0.00 O ATOM 0 H GLY A 50 9.402 3.899 3.363 1.00 0.00 H new ATOM 0 HA2 GLY A 50 8.228 1.660 4.534 1.00 0.00 H new ATOM 0 HA3 GLY A 50 7.444 3.053 5.253 1.00 0.00 H new ATOM 717 N TYR A 51 5.973 2.276 3.159 1.00 0.00 N ATOM 718 CA TYR A 51 5.057 2.350 2.034 1.00 0.00 C ATOM 719 C TYR A 51 3.628 2.625 2.507 1.00 0.00 C ATOM 720 O TYR A 51 3.316 2.451 3.684 1.00 0.00 O ATOM 721 CB TYR A 51 5.104 0.977 1.361 1.00 0.00 C ATOM 722 CG TYR A 51 6.430 0.671 0.662 1.00 0.00 C ATOM 723 CD1 TYR A 51 7.584 0.527 1.406 1.00 0.00 C ATOM 724 CD2 TYR A 51 6.473 0.538 -0.711 1.00 0.00 C ATOM 725 CE1 TYR A 51 8.833 0.239 0.749 1.00 0.00 C ATOM 726 CE2 TYR A 51 7.721 0.249 -1.368 1.00 0.00 C ATOM 727 CZ TYR A 51 8.840 0.114 -0.606 1.00 0.00 C ATOM 728 OH TYR A 51 10.019 -0.158 -1.226 1.00 0.00 O ATOM 0 H TYR A 51 5.633 1.729 3.950 1.00 0.00 H new ATOM 0 HA TYR A 51 5.343 3.156 1.359 1.00 0.00 H new ATOM 0 HB2 TYR A 51 4.915 0.209 2.112 1.00 0.00 H new ATOM 0 HB3 TYR A 51 4.297 0.914 0.631 1.00 0.00 H new ATOM 0 HD1 TYR A 51 7.550 0.630 2.481 1.00 0.00 H new ATOM 0 HD2 TYR A 51 5.570 0.651 -1.293 1.00 0.00 H new ATOM 0 HE1 TYR A 51 9.743 0.125 1.319 1.00 0.00 H new ATOM 0 HE2 TYR A 51 7.768 0.142 -2.442 1.00 0.00 H new ATOM 0 HH TYR A 51 10.215 -1.115 -1.151 1.00 0.00 H new ATOM 738 N GLN A 52 2.799 3.049 1.565 1.00 0.00 N ATOM 739 CA GLN A 52 1.410 3.349 1.871 1.00 0.00 C ATOM 740 C GLN A 52 0.484 2.368 1.151 1.00 0.00 C ATOM 741 O GLN A 52 0.777 1.936 0.037 1.00 0.00 O ATOM 742 CB GLN A 52 1.069 4.795 1.505 1.00 0.00 C ATOM 743 CG GLN A 52 1.348 5.738 2.678 1.00 0.00 C ATOM 744 CD GLN A 52 0.763 7.127 2.416 1.00 0.00 C ATOM 745 OE1 GLN A 52 0.447 7.495 1.296 1.00 0.00 O ATOM 746 NE2 GLN A 52 0.636 7.876 3.508 1.00 0.00 N ATOM 0 H GLN A 52 3.062 3.192 0.590 1.00 0.00 H new ATOM 0 HA GLN A 52 1.262 3.236 2.945 1.00 0.00 H new ATOM 0 HB2 GLN A 52 1.655 5.103 0.639 1.00 0.00 H new ATOM 0 HB3 GLN A 52 0.019 4.864 1.220 1.00 0.00 H new ATOM 0 HG2 GLN A 52 0.919 5.325 3.591 1.00 0.00 H new ATOM 0 HG3 GLN A 52 2.423 5.817 2.838 1.00 0.00 H new ATOM 0 HE21 GLN A 52 0.920 7.507 4.415 1.00 0.00 H new ATOM 0 HE22 GLN A 52 0.255 8.819 3.438 1.00 0.00 H new ATOM 755 N ILE A 53 -0.616 2.045 1.815 1.00 0.00 N ATOM 756 CA ILE A 53 -1.587 1.123 1.252 1.00 0.00 C ATOM 757 C ILE A 53 -2.975 1.767 1.285 1.00 0.00 C ATOM 758 O ILE A 53 -3.656 1.732 2.308 1.00 0.00 O ATOM 759 CB ILE A 53 -1.520 -0.228 1.967 1.00 0.00 C ATOM 760 CG1 ILE A 53 -0.119 -0.834 1.864 1.00 0.00 C ATOM 761 CG2 ILE A 53 -2.596 -1.181 1.442 1.00 0.00 C ATOM 762 CD1 ILE A 53 0.821 -0.222 2.905 1.00 0.00 C ATOM 0 H ILE A 53 -0.856 2.406 2.738 1.00 0.00 H new ATOM 0 HA ILE A 53 -1.355 0.917 0.207 1.00 0.00 H new ATOM 0 HB ILE A 53 -1.723 -0.064 3.025 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.174 -1.913 2.008 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.281 -0.666 0.864 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.526 -2.134 1.967 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -3.581 -0.746 1.610 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -2.449 -1.344 0.374 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.810 -0.670 2.810 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.893 0.853 2.743 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.431 -0.413 3.905 1.00 0.00 H new ATOM 774 N GLY A 54 -3.352 2.341 0.152 1.00 0.00 N ATOM 775 CA GLY A 54 -4.646 2.993 0.038 1.00 0.00 C ATOM 776 C GLY A 54 -5.712 2.012 -0.452 1.00 0.00 C ATOM 777 O GLY A 54 -5.655 1.542 -1.588 1.00 0.00 O ATOM 0 H GLY A 54 -2.784 2.368 -0.695 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -4.939 3.400 1.006 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -4.574 3.833 -0.653 1.00 0.00 H new ATOM 781 N TYR A 55 -6.661 1.730 0.428 1.00 0.00 N ATOM 782 CA TYR A 55 -7.739 0.813 0.100 1.00 0.00 C ATOM 783 C TYR A 55 -9.103 1.450 0.372 1.00 0.00 C ATOM 784 O TYR A 55 -9.252 2.228 1.313 1.00 0.00 O ATOM 785 CB TYR A 55 -7.561 -0.395 1.021 1.00 0.00 C ATOM 786 CG TYR A 55 -7.774 -0.084 2.504 1.00 0.00 C ATOM 787 CD1 TYR A 55 -6.806 0.599 3.212 1.00 0.00 C ATOM 788 CD2 TYR A 55 -8.934 -0.486 3.134 1.00 0.00 C ATOM 789 CE1 TYR A 55 -7.006 0.892 4.607 1.00 0.00 C ATOM 790 CE2 TYR A 55 -9.135 -0.193 4.529 1.00 0.00 C ATOM 791 CZ TYR A 55 -8.161 0.482 5.197 1.00 0.00 C ATOM 792 OH TYR A 55 -8.350 0.759 6.515 1.00 0.00 O ATOM 0 H TYR A 55 -6.706 2.121 1.369 1.00 0.00 H new ATOM 0 HA TYR A 55 -7.704 0.543 -0.955 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -8.261 -1.175 0.720 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -6.557 -0.798 0.885 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -5.898 0.914 2.719 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -9.691 -1.021 2.580 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -6.256 1.425 5.172 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -10.038 -0.502 5.034 1.00 0.00 H new ATOM 0 HH TYR A 55 -9.219 0.408 6.802 1.00 0.00 H new ATOM 802 N ARG A 56 -10.065 1.097 -0.468 1.00 0.00 N ATOM 803 CA ARG A 56 -11.411 1.624 -0.330 1.00 0.00 C ATOM 804 C ARG A 56 -12.420 0.689 -1.000 1.00 0.00 C ATOM 805 O ARG A 56 -12.190 0.217 -2.112 1.00 0.00 O ATOM 806 CB ARG A 56 -11.525 3.016 -0.954 1.00 0.00 C ATOM 807 CG ARG A 56 -11.050 3.005 -2.409 1.00 0.00 C ATOM 808 CD ARG A 56 -11.936 3.895 -3.282 1.00 0.00 C ATOM 809 NE ARG A 56 -11.880 3.440 -4.689 1.00 0.00 N ATOM 810 CZ ARG A 56 -12.666 3.916 -5.665 1.00 0.00 C ATOM 811 NH1 ARG A 56 -13.573 4.864 -5.392 1.00 0.00 N ATOM 812 NH2 ARG A 56 -12.546 3.444 -6.913 1.00 0.00 N ATOM 0 H ARG A 56 -9.938 0.451 -1.247 1.00 0.00 H new ATOM 0 HA ARG A 56 -11.630 1.697 0.735 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -12.560 3.355 -0.908 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -10.931 3.726 -0.379 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -10.018 3.351 -2.461 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -11.064 1.985 -2.792 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -12.964 3.864 -2.922 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -11.605 4.931 -3.213 1.00 0.00 H new ATOM 0 HE ARG A 56 -11.201 2.719 -4.931 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -13.665 5.223 -4.442 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -14.171 5.226 -6.134 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -11.856 2.722 -7.121 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -13.144 3.807 -7.655 1.00 0.00 H new ATOM 826 N GLU A 57 -13.515 0.448 -0.294 1.00 0.00 N ATOM 827 CA GLU A 57 -14.559 -0.423 -0.806 1.00 0.00 C ATOM 828 C GLU A 57 -14.898 -0.052 -2.252 1.00 0.00 C ATOM 829 O GLU A 57 -15.224 1.098 -2.541 1.00 0.00 O ATOM 830 CB GLU A 57 -15.805 -0.366 0.080 1.00 0.00 C ATOM 831 CG GLU A 57 -16.517 -1.720 0.113 1.00 0.00 C ATOM 832 CD GLU A 57 -18.019 -1.544 0.343 1.00 0.00 C ATOM 833 OE1 GLU A 57 -18.395 -0.456 0.829 1.00 0.00 O ATOM 834 OE2 GLU A 57 -18.758 -2.502 0.029 1.00 0.00 O ATOM 0 H GLU A 57 -13.702 0.841 0.629 1.00 0.00 H new ATOM 0 HA GLU A 57 -14.189 -1.448 -0.791 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -15.523 -0.075 1.092 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -16.487 0.398 -0.294 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -16.349 -2.246 -0.826 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -16.094 -2.338 0.905 1.00 0.00 H new ATOM 841 N ASN A 58 -14.809 -1.048 -3.121 1.00 0.00 N ATOM 842 CA ASN A 58 -15.102 -0.841 -4.529 1.00 0.00 C ATOM 843 C ASN A 58 -16.596 -1.065 -4.773 1.00 0.00 C ATOM 844 O ASN A 58 -16.978 -1.740 -5.727 1.00 0.00 O ATOM 845 CB ASN A 58 -14.327 -1.828 -5.404 1.00 0.00 C ATOM 846 CG ASN A 58 -13.915 -1.181 -6.728 1.00 0.00 C ATOM 847 OD1 ASN A 58 -14.535 -1.372 -7.761 1.00 0.00 O ATOM 848 ND2 ASN A 58 -12.838 -0.406 -6.639 1.00 0.00 N ATOM 0 H ASN A 58 -14.538 -2.001 -2.877 1.00 0.00 H new ATOM 0 HA ASN A 58 -14.810 0.177 -4.788 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -13.440 -2.172 -4.872 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -14.942 -2.706 -5.600 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -12.484 0.072 -7.468 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -12.366 -0.289 -5.742 1.00 0.00 H new ATOM 855 N SER A 59 -17.400 -0.486 -3.894 1.00 0.00 N ATOM 856 CA SER A 59 -18.843 -0.614 -4.002 1.00 0.00 C ATOM 857 C SER A 59 -19.451 0.705 -4.484 1.00 0.00 C ATOM 858 O SER A 59 -18.774 1.731 -4.510 1.00 0.00 O ATOM 859 CB SER A 59 -19.461 -1.025 -2.664 1.00 0.00 C ATOM 860 OG SER A 59 -20.121 -2.286 -2.746 1.00 0.00 O ATOM 0 H SER A 59 -17.079 0.073 -3.103 1.00 0.00 H new ATOM 0 HA SER A 59 -19.063 -1.396 -4.729 1.00 0.00 H new ATOM 0 HB2 SER A 59 -18.681 -1.073 -1.904 1.00 0.00 H new ATOM 0 HB3 SER A 59 -20.172 -0.264 -2.344 1.00 0.00 H new ATOM 0 HG SER A 59 -19.968 -2.790 -1.920 1.00 0.00 H new ATOM 866 N PRO A 60 -20.755 0.632 -4.863 1.00 0.00 N ATOM 867 CA PRO A 60 -21.462 1.808 -5.342 1.00 0.00 C ATOM 868 C PRO A 60 -21.815 2.745 -4.186 1.00 0.00 C ATOM 869 O PRO A 60 -22.938 2.725 -3.686 1.00 0.00 O ATOM 870 CB PRO A 60 -22.686 1.264 -6.061 1.00 0.00 C ATOM 871 CG PRO A 60 -22.866 -0.160 -5.560 1.00 0.00 C ATOM 872 CD PRO A 60 -21.589 -0.567 -4.845 1.00 0.00 C ATOM 0 HA PRO A 60 -20.858 2.417 -6.015 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -23.567 1.868 -5.844 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -22.545 1.283 -7.142 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -23.719 -0.222 -4.884 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -23.069 -0.834 -6.392 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -21.793 -0.892 -3.825 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -21.099 -1.398 -5.352 1.00 0.00 H new ATOM 880 N GLY A 61 -20.833 3.545 -3.795 1.00 0.00 N ATOM 881 CA GLY A 61 -21.026 4.489 -2.707 1.00 0.00 C ATOM 882 C GLY A 61 -19.946 4.319 -1.636 1.00 0.00 C ATOM 883 O GLY A 61 -20.244 4.314 -0.443 1.00 0.00 O ATOM 0 H GLY A 61 -19.902 3.559 -4.212 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -21.001 5.507 -3.095 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -22.010 4.341 -2.263 1.00 0.00 H new ATOM 887 N SER A 62 -18.713 4.184 -2.102 1.00 0.00 N ATOM 888 CA SER A 62 -17.586 4.015 -1.200 1.00 0.00 C ATOM 889 C SER A 62 -17.743 4.936 0.012 1.00 0.00 C ATOM 890 O SER A 62 -18.470 5.927 -0.047 1.00 0.00 O ATOM 891 CB SER A 62 -16.262 4.297 -1.913 1.00 0.00 C ATOM 892 OG SER A 62 -15.814 5.632 -1.698 1.00 0.00 O ATOM 0 H SER A 62 -18.470 4.188 -3.093 1.00 0.00 H new ATOM 0 HA SER A 62 -17.571 2.979 -0.862 1.00 0.00 H new ATOM 0 HB2 SER A 62 -15.504 3.599 -1.559 1.00 0.00 H new ATOM 0 HB3 SER A 62 -16.382 4.122 -2.982 1.00 0.00 H new ATOM 0 HG SER A 62 -14.846 5.631 -1.542 1.00 0.00 H new ATOM 898 N ASN A 63 -17.050 4.577 1.082 1.00 0.00 N ATOM 899 CA ASN A 63 -17.103 5.359 2.306 1.00 0.00 C ATOM 900 C ASN A 63 -16.715 6.807 1.998 1.00 0.00 C ATOM 901 O ASN A 63 -17.306 7.740 2.539 1.00 0.00 O ATOM 902 CB ASN A 63 -16.123 4.818 3.348 1.00 0.00 C ATOM 903 CG ASN A 63 -16.697 3.590 4.056 1.00 0.00 C ATOM 904 OD1 ASN A 63 -17.887 3.485 4.305 1.00 0.00 O ATOM 905 ND2 ASN A 63 -15.789 2.670 4.367 1.00 0.00 N ATOM 0 H ASN A 63 -16.448 3.755 1.127 1.00 0.00 H new ATOM 0 HA ASN A 63 -18.117 5.300 2.701 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -15.181 4.557 2.865 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -15.901 5.594 4.081 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -16.073 1.814 4.843 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -14.808 2.821 4.130 1.00 0.00 H new ATOM 912 N GLY A 64 -15.724 6.948 1.130 1.00 0.00 N ATOM 913 CA GLY A 64 -15.250 8.266 0.744 1.00 0.00 C ATOM 914 C GLY A 64 -13.944 8.170 -0.046 1.00 0.00 C ATOM 915 O GLY A 64 -13.933 7.686 -1.177 1.00 0.00 O ATOM 0 H GLY A 64 -15.236 6.171 0.683 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -16.008 8.767 0.141 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -15.097 8.876 1.634 1.00 0.00 H new ATOM 919 N GLN A 65 -12.874 8.637 0.580 1.00 0.00 N ATOM 920 CA GLN A 65 -11.565 8.609 -0.050 1.00 0.00 C ATOM 921 C GLN A 65 -10.844 7.301 0.281 1.00 0.00 C ATOM 922 O GLN A 65 -11.354 6.483 1.045 1.00 0.00 O ATOM 923 CB GLN A 65 -10.728 9.818 0.371 1.00 0.00 C ATOM 924 CG GLN A 65 -10.964 11.003 -0.568 1.00 0.00 C ATOM 925 CD GLN A 65 -9.916 11.036 -1.683 1.00 0.00 C ATOM 926 OE1 GLN A 65 -10.115 10.524 -2.772 1.00 0.00 O ATOM 927 NE2 GLN A 65 -8.792 11.665 -1.350 1.00 0.00 N ATOM 0 H GLN A 65 -12.887 9.037 1.518 1.00 0.00 H new ATOM 0 HA GLN A 65 -11.702 8.662 -1.130 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -10.982 10.103 1.392 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -9.671 9.552 0.368 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -11.961 10.934 -1.003 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -10.927 11.934 -0.002 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -8.691 12.071 -0.420 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -8.031 11.741 -2.025 1.00 0.00 H new ATOM 936 N TYR A 66 -9.669 7.144 -0.311 1.00 0.00 N ATOM 937 CA TYR A 66 -8.873 5.949 -0.089 1.00 0.00 C ATOM 938 C TYR A 66 -8.166 6.006 1.267 1.00 0.00 C ATOM 939 O TYR A 66 -7.423 6.946 1.544 1.00 0.00 O ATOM 940 CB TYR A 66 -7.821 5.931 -1.199 1.00 0.00 C ATOM 941 CG TYR A 66 -8.244 5.148 -2.444 1.00 0.00 C ATOM 942 CD1 TYR A 66 -9.129 5.707 -3.343 1.00 0.00 C ATOM 943 CD2 TYR A 66 -7.740 3.883 -2.668 1.00 0.00 C ATOM 944 CE1 TYR A 66 -9.527 4.971 -4.515 1.00 0.00 C ATOM 945 CE2 TYR A 66 -8.138 3.146 -3.840 1.00 0.00 C ATOM 946 CZ TYR A 66 -9.012 3.726 -4.705 1.00 0.00 C ATOM 947 OH TYR A 66 -9.388 3.031 -5.812 1.00 0.00 O ATOM 0 H TYR A 66 -9.249 7.825 -0.944 1.00 0.00 H new ATOM 0 HA TYR A 66 -9.504 5.060 -0.097 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -7.594 6.957 -1.487 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -6.900 5.499 -0.806 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -9.523 6.697 -3.168 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -7.047 3.445 -1.965 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -10.218 5.397 -5.227 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -7.751 2.155 -4.027 1.00 0.00 H new ATOM 0 HH TYR A 66 -8.941 2.159 -5.818 1.00 0.00 H new ATOM 957 N SER A 67 -8.422 4.988 2.075 1.00 0.00 N ATOM 958 CA SER A 67 -7.819 4.910 3.395 1.00 0.00 C ATOM 959 C SER A 67 -6.315 4.661 3.269 1.00 0.00 C ATOM 960 O SER A 67 -5.889 3.544 2.976 1.00 0.00 O ATOM 961 CB SER A 67 -8.471 3.809 4.234 1.00 0.00 C ATOM 962 OG SER A 67 -9.841 4.090 4.511 1.00 0.00 O ATOM 0 H SER A 67 -9.039 4.210 1.841 1.00 0.00 H new ATOM 0 HA SER A 67 -7.982 5.861 3.902 1.00 0.00 H new ATOM 0 HB2 SER A 67 -8.395 2.858 3.706 1.00 0.00 H new ATOM 0 HB3 SER A 67 -7.927 3.697 5.172 1.00 0.00 H new ATOM 0 HG SER A 67 -10.222 3.363 5.047 1.00 0.00 H new ATOM 968 N ILE A 68 -5.551 5.719 3.496 1.00 0.00 N ATOM 969 CA ILE A 68 -4.103 5.629 3.412 1.00 0.00 C ATOM 970 C ILE A 68 -3.550 5.119 4.744 1.00 0.00 C ATOM 971 O ILE A 68 -3.804 5.709 5.793 1.00 0.00 O ATOM 972 CB ILE A 68 -3.508 6.967 2.971 1.00 0.00 C ATOM 973 CG1 ILE A 68 -3.866 7.274 1.515 1.00 0.00 C ATOM 974 CG2 ILE A 68 -1.997 7.000 3.209 1.00 0.00 C ATOM 975 CD1 ILE A 68 -3.480 6.110 0.599 1.00 0.00 C ATOM 0 H ILE A 68 -5.907 6.644 3.738 1.00 0.00 H new ATOM 0 HA ILE A 68 -3.810 4.909 2.648 1.00 0.00 H new ATOM 0 HB ILE A 68 -3.948 7.754 3.583 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -4.936 7.467 1.433 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -3.353 8.180 1.194 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -1.599 7.962 2.887 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -1.793 6.860 4.270 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -1.521 6.202 2.639 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.745 6.353 -0.430 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -2.406 5.935 0.666 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -4.014 5.211 0.908 1.00 0.00 H new ATOM 987 N VAL A 69 -2.803 4.028 4.659 1.00 0.00 N ATOM 988 CA VAL A 69 -2.212 3.431 5.845 1.00 0.00 C ATOM 989 C VAL A 69 -0.699 3.313 5.650 1.00 0.00 C ATOM 990 O VAL A 69 -0.236 2.543 4.810 1.00 0.00 O ATOM 991 CB VAL A 69 -2.882 2.090 6.146 1.00 0.00 C ATOM 992 CG1 VAL A 69 -4.053 2.268 7.116 1.00 0.00 C ATOM 993 CG2 VAL A 69 -3.338 1.403 4.858 1.00 0.00 C ATOM 0 H VAL A 69 -2.593 3.542 3.787 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.380 4.065 6.716 1.00 0.00 H new ATOM 0 HB VAL A 69 -2.144 1.447 6.625 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -4.512 1.299 7.314 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -3.689 2.695 8.051 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -4.792 2.937 6.675 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -3.811 0.452 5.101 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -4.053 2.041 4.338 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -2.476 1.226 4.215 1.00 0.00 H new ATOM 1003 N GLU A 70 0.030 4.087 6.442 1.00 0.00 N ATOM 1004 CA GLU A 70 1.481 4.078 6.367 1.00 0.00 C ATOM 1005 C GLU A 70 2.053 2.988 7.275 1.00 0.00 C ATOM 1006 O GLU A 70 1.597 2.813 8.404 1.00 0.00 O ATOM 1007 CB GLU A 70 2.057 5.449 6.727 1.00 0.00 C ATOM 1008 CG GLU A 70 2.660 5.438 8.133 1.00 0.00 C ATOM 1009 CD GLU A 70 2.909 6.862 8.634 1.00 0.00 C ATOM 1010 OE1 GLU A 70 1.911 7.607 8.745 1.00 0.00 O ATOM 1011 OE2 GLU A 70 4.091 7.174 8.895 1.00 0.00 O ATOM 0 H GLU A 70 -0.357 4.724 7.138 1.00 0.00 H new ATOM 0 HA GLU A 70 1.771 3.857 5.340 1.00 0.00 H new ATOM 0 HB2 GLU A 70 2.821 5.728 6.002 1.00 0.00 H new ATOM 0 HB3 GLU A 70 1.272 6.204 6.670 1.00 0.00 H new ATOM 0 HG2 GLU A 70 1.987 4.920 8.817 1.00 0.00 H new ATOM 0 HG3 GLU A 70 3.597 4.882 8.126 1.00 0.00 H new ATOM 1018 N MET A 71 3.043 2.283 6.748 1.00 0.00 N ATOM 1019 CA MET A 71 3.682 1.214 7.497 1.00 0.00 C ATOM 1020 C MET A 71 5.204 1.279 7.354 1.00 0.00 C ATOM 1021 O MET A 71 5.734 2.189 6.719 1.00 0.00 O ATOM 1022 CB MET A 71 3.179 -0.138 6.987 1.00 0.00 C ATOM 1023 CG MET A 71 3.239 -0.205 5.460 1.00 0.00 C ATOM 1024 SD MET A 71 4.921 -0.476 4.926 1.00 0.00 S ATOM 1025 CE MET A 71 4.920 -2.256 4.790 1.00 0.00 C ATOM 0 H MET A 71 3.418 2.431 5.811 1.00 0.00 H new ATOM 0 HA MET A 71 3.429 1.332 8.551 1.00 0.00 H new ATOM 0 HB2 MET A 71 3.783 -0.939 7.414 1.00 0.00 H new ATOM 0 HB3 MET A 71 2.154 -0.298 7.322 1.00 0.00 H new ATOM 0 HG2 MET A 71 2.600 -1.010 5.098 1.00 0.00 H new ATOM 0 HG3 MET A 71 2.858 0.722 5.032 1.00 0.00 H new ATOM 0 HE1 MET A 71 5.917 -2.601 4.516 1.00 0.00 H new ATOM 0 HE2 MET A 71 4.635 -2.694 5.747 1.00 0.00 H new ATOM 0 HE3 MET A 71 4.207 -2.562 4.024 1.00 0.00 H new ATOM 1035 N LYS A 72 5.865 0.301 7.957 1.00 0.00 N ATOM 1036 CA LYS A 72 7.315 0.236 7.906 1.00 0.00 C ATOM 1037 C LYS A 72 7.739 -0.723 6.791 1.00 0.00 C ATOM 1038 O LYS A 72 6.980 -1.613 6.410 1.00 0.00 O ATOM 1039 CB LYS A 72 7.884 -0.128 9.279 1.00 0.00 C ATOM 1040 CG LYS A 72 8.453 1.107 9.981 1.00 0.00 C ATOM 1041 CD LYS A 72 8.947 0.760 11.386 1.00 0.00 C ATOM 1042 CE LYS A 72 8.344 1.704 12.428 1.00 0.00 C ATOM 1043 NZ LYS A 72 9.394 2.562 13.020 1.00 0.00 N ATOM 0 H LYS A 72 5.422 -0.452 8.483 1.00 0.00 H new ATOM 0 HA LYS A 72 7.732 1.213 7.663 1.00 0.00 H new ATOM 0 HB2 LYS A 72 7.102 -0.573 9.895 1.00 0.00 H new ATOM 0 HB3 LYS A 72 8.666 -0.879 9.165 1.00 0.00 H new ATOM 0 HG2 LYS A 72 9.275 1.517 9.394 1.00 0.00 H new ATOM 0 HG3 LYS A 72 7.687 1.880 10.042 1.00 0.00 H new ATOM 0 HD2 LYS A 72 8.680 -0.269 11.625 1.00 0.00 H new ATOM 0 HD3 LYS A 72 10.035 0.823 11.419 1.00 0.00 H new ATOM 0 HE2 LYS A 72 7.578 2.325 11.964 1.00 0.00 H new ATOM 0 HE3 LYS A 72 7.855 1.125 13.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 8.967 3.196 13.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 10.111 1.966 13.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 9.843 3.128 12.272 1.00 0.00 H new ATOM 1057 N ALA A 73 8.951 -0.510 6.299 1.00 0.00 N ATOM 1058 CA ALA A 73 9.485 -1.344 5.236 1.00 0.00 C ATOM 1059 C ALA A 73 10.400 -2.410 5.841 1.00 0.00 C ATOM 1060 O ALA A 73 11.545 -2.125 6.190 1.00 0.00 O ATOM 1061 CB ALA A 73 10.209 -0.466 4.213 1.00 0.00 C ATOM 0 H ALA A 73 9.578 0.229 6.617 1.00 0.00 H new ATOM 0 HA ALA A 73 8.680 -1.859 4.712 1.00 0.00 H new ATOM 0 HB1 ALA A 73 10.610 -1.092 3.415 1.00 0.00 H new ATOM 0 HB2 ALA A 73 9.508 0.255 3.792 1.00 0.00 H new ATOM 0 HB3 ALA A 73 11.025 0.065 4.702 1.00 0.00 H new ATOM 1067 N THR A 74 9.861 -3.616 5.947 1.00 0.00 N ATOM 1068 CA THR A 74 10.615 -4.726 6.504 1.00 0.00 C ATOM 1069 C THR A 74 11.984 -4.834 5.828 1.00 0.00 C ATOM 1070 O THR A 74 12.998 -5.022 6.498 1.00 0.00 O ATOM 1071 CB THR A 74 9.767 -5.992 6.364 1.00 0.00 C ATOM 1072 OG1 THR A 74 9.668 -6.189 4.956 1.00 0.00 O ATOM 1073 CG2 THR A 74 8.320 -5.779 6.813 1.00 0.00 C ATOM 0 H THR A 74 8.911 -3.848 5.657 1.00 0.00 H new ATOM 0 HA THR A 74 10.822 -4.571 7.563 1.00 0.00 H new ATOM 0 HB THR A 74 10.214 -6.796 6.949 1.00 0.00 H new ATOM 0 HG1 THR A 74 9.226 -7.045 4.776 1.00 0.00 H new ATOM 0 HG21 THR A 74 7.762 -6.707 6.693 1.00 0.00 H new ATOM 0 HG22 THR A 74 8.305 -5.479 7.861 1.00 0.00 H new ATOM 0 HG23 THR A 74 7.862 -4.999 6.205 1.00 0.00 H new ATOM 1081 N GLY A 75 11.968 -4.710 4.509 1.00 0.00 N ATOM 1082 CA GLY A 75 13.195 -4.791 3.735 1.00 0.00 C ATOM 1083 C GLY A 75 12.913 -4.623 2.241 1.00 0.00 C ATOM 1084 O GLY A 75 12.281 -3.650 1.831 1.00 0.00 O ATOM 0 H GLY A 75 11.125 -4.554 3.957 1.00 0.00 H new ATOM 0 HA2 GLY A 75 13.890 -4.019 4.067 1.00 0.00 H new ATOM 0 HA3 GLY A 75 13.678 -5.752 3.912 1.00 0.00 H new ATOM 1088 N ASP A 76 13.395 -5.585 1.468 1.00 0.00 N ATOM 1089 CA ASP A 76 13.202 -5.555 0.028 1.00 0.00 C ATOM 1090 C ASP A 76 11.723 -5.783 -0.289 1.00 0.00 C ATOM 1091 O ASP A 76 11.153 -5.097 -1.136 1.00 0.00 O ATOM 1092 CB ASP A 76 14.009 -6.659 -0.658 1.00 0.00 C ATOM 1093 CG ASP A 76 15.383 -6.933 -0.045 1.00 0.00 C ATOM 1094 OD1 ASP A 76 16.054 -5.940 0.311 1.00 0.00 O ATOM 1095 OD2 ASP A 76 15.732 -8.129 0.055 1.00 0.00 O ATOM 0 H ASP A 76 13.919 -6.390 1.812 1.00 0.00 H new ATOM 0 HA ASP A 76 13.536 -4.584 -0.337 1.00 0.00 H new ATOM 0 HB2 ASP A 76 13.428 -7.581 -0.635 1.00 0.00 H new ATOM 0 HB3 ASP A 76 14.142 -6.392 -1.706 1.00 0.00 H new ATOM 1100 N SER A 77 11.143 -6.749 0.408 1.00 0.00 N ATOM 1101 CA SER A 77 9.741 -7.077 0.211 1.00 0.00 C ATOM 1102 C SER A 77 8.923 -6.625 1.423 1.00 0.00 C ATOM 1103 O SER A 77 9.409 -6.662 2.552 1.00 0.00 O ATOM 1104 CB SER A 77 9.554 -8.576 -0.027 1.00 0.00 C ATOM 1105 OG SER A 77 10.114 -9.358 1.025 1.00 0.00 O ATOM 0 H SER A 77 11.619 -7.315 1.110 1.00 0.00 H new ATOM 0 HA SER A 77 9.387 -6.550 -0.675 1.00 0.00 H new ATOM 0 HB2 SER A 77 8.491 -8.799 -0.118 1.00 0.00 H new ATOM 0 HB3 SER A 77 10.020 -8.854 -0.973 1.00 0.00 H new ATOM 0 HG SER A 77 9.972 -10.309 0.837 1.00 0.00 H new ATOM 1111 N GLU A 78 7.696 -6.209 1.147 1.00 0.00 N ATOM 1112 CA GLU A 78 6.806 -5.751 2.200 1.00 0.00 C ATOM 1113 C GLU A 78 5.390 -6.280 1.966 1.00 0.00 C ATOM 1114 O GLU A 78 4.969 -6.451 0.823 1.00 0.00 O ATOM 1115 CB GLU A 78 6.813 -4.224 2.298 1.00 0.00 C ATOM 1116 CG GLU A 78 8.243 -3.685 2.367 1.00 0.00 C ATOM 1117 CD GLU A 78 8.730 -3.244 0.985 1.00 0.00 C ATOM 1118 OE1 GLU A 78 7.991 -2.464 0.345 1.00 0.00 O ATOM 1119 OE2 GLU A 78 9.830 -3.695 0.599 1.00 0.00 O ATOM 0 H GLU A 78 7.297 -6.180 0.209 1.00 0.00 H new ATOM 0 HA GLU A 78 7.166 -6.144 3.150 1.00 0.00 H new ATOM 0 HB2 GLU A 78 6.302 -3.798 1.435 1.00 0.00 H new ATOM 0 HB3 GLU A 78 6.259 -3.910 3.183 1.00 0.00 H new ATOM 0 HG2 GLU A 78 8.285 -2.842 3.057 1.00 0.00 H new ATOM 0 HG3 GLU A 78 8.907 -4.454 2.762 1.00 0.00 H new ATOM 1126 N VAL A 79 4.693 -6.523 3.066 1.00 0.00 N ATOM 1127 CA VAL A 79 3.333 -7.028 2.995 1.00 0.00 C ATOM 1128 C VAL A 79 2.500 -6.396 4.112 1.00 0.00 C ATOM 1129 O VAL A 79 3.028 -6.057 5.169 1.00 0.00 O ATOM 1130 CB VAL A 79 3.339 -8.557 3.046 1.00 0.00 C ATOM 1131 CG1 VAL A 79 3.943 -9.059 4.359 1.00 0.00 C ATOM 1132 CG2 VAL A 79 1.931 -9.118 2.839 1.00 0.00 C ATOM 0 H VAL A 79 5.045 -6.379 4.012 1.00 0.00 H new ATOM 0 HA VAL A 79 2.871 -6.750 2.048 1.00 0.00 H new ATOM 0 HB VAL A 79 3.966 -8.917 2.230 1.00 0.00 H new ATOM 0 HG11 VAL A 79 3.935 -10.149 4.370 1.00 0.00 H new ATOM 0 HG12 VAL A 79 4.969 -8.702 4.447 1.00 0.00 H new ATOM 0 HG13 VAL A 79 3.355 -8.684 5.197 1.00 0.00 H new ATOM 0 HG21 VAL A 79 1.964 -10.207 2.880 1.00 0.00 H new ATOM 0 HG22 VAL A 79 1.272 -8.745 3.623 1.00 0.00 H new ATOM 0 HG23 VAL A 79 1.553 -8.803 1.867 1.00 0.00 H new ATOM 1142 N TYR A 80 1.210 -6.258 3.838 1.00 0.00 N ATOM 1143 CA TYR A 80 0.299 -5.673 4.807 1.00 0.00 C ATOM 1144 C TYR A 80 -1.082 -6.327 4.726 1.00 0.00 C ATOM 1145 O TYR A 80 -1.581 -6.597 3.635 1.00 0.00 O ATOM 1146 CB TYR A 80 0.173 -4.196 4.429 1.00 0.00 C ATOM 1147 CG TYR A 80 -0.239 -3.289 5.591 1.00 0.00 C ATOM 1148 CD1 TYR A 80 0.709 -2.850 6.493 1.00 0.00 C ATOM 1149 CD2 TYR A 80 -1.557 -2.909 5.736 1.00 0.00 C ATOM 1150 CE1 TYR A 80 0.322 -1.997 7.586 1.00 0.00 C ATOM 1151 CE2 TYR A 80 -1.945 -2.056 6.830 1.00 0.00 C ATOM 1152 CZ TYR A 80 -0.986 -1.642 7.701 1.00 0.00 C ATOM 1153 OH TYR A 80 -1.352 -0.836 8.733 1.00 0.00 O ATOM 0 H TYR A 80 0.775 -6.541 2.960 1.00 0.00 H new ATOM 0 HA TYR A 80 0.674 -5.815 5.821 1.00 0.00 H new ATOM 0 HB2 TYR A 80 1.128 -3.850 4.033 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -0.559 -4.098 3.628 1.00 0.00 H new ATOM 0 HD1 TYR A 80 1.741 -3.146 6.379 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -2.298 -3.251 5.029 1.00 0.00 H new ATOM 0 HE1 TYR A 80 1.054 -1.647 8.299 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -2.974 -1.752 6.956 1.00 0.00 H new ATOM 0 HH TYR A 80 -2.316 -0.664 8.688 1.00 0.00 H new ATOM 1163 N THR A 81 -1.659 -6.564 5.895 1.00 0.00 N ATOM 1164 CA THR A 81 -2.972 -7.182 5.969 1.00 0.00 C ATOM 1165 C THR A 81 -4.041 -6.128 6.268 1.00 0.00 C ATOM 1166 O THR A 81 -4.216 -5.725 7.417 1.00 0.00 O ATOM 1167 CB THR A 81 -2.910 -8.298 7.014 1.00 0.00 C ATOM 1168 OG1 THR A 81 -2.222 -9.356 6.352 1.00 0.00 O ATOM 1169 CG2 THR A 81 -4.288 -8.887 7.324 1.00 0.00 C ATOM 0 H THR A 81 -1.242 -6.339 6.798 1.00 0.00 H new ATOM 0 HA THR A 81 -3.256 -7.626 5.015 1.00 0.00 H new ATOM 0 HB THR A 81 -2.465 -7.912 7.931 1.00 0.00 H new ATOM 0 HG1 THR A 81 -2.136 -10.121 6.959 1.00 0.00 H new ATOM 0 HG21 THR A 81 -4.187 -9.674 8.071 1.00 0.00 H new ATOM 0 HG22 THR A 81 -4.941 -8.103 7.709 1.00 0.00 H new ATOM 0 HG23 THR A 81 -4.719 -9.304 6.414 1.00 0.00 H new ATOM 1177 N LEU A 82 -4.727 -5.713 5.214 1.00 0.00 N ATOM 1178 CA LEU A 82 -5.774 -4.714 5.349 1.00 0.00 C ATOM 1179 C LEU A 82 -7.033 -5.374 5.915 1.00 0.00 C ATOM 1180 O LEU A 82 -7.721 -6.112 5.211 1.00 0.00 O ATOM 1181 CB LEU A 82 -6.003 -3.995 4.018 1.00 0.00 C ATOM 1182 CG LEU A 82 -4.797 -3.250 3.442 1.00 0.00 C ATOM 1183 CD1 LEU A 82 -4.925 -3.088 1.926 1.00 0.00 C ATOM 1184 CD2 LEU A 82 -4.594 -1.907 4.147 1.00 0.00 C ATOM 0 H LEU A 82 -4.579 -6.050 4.263 1.00 0.00 H new ATOM 0 HA LEU A 82 -5.473 -3.941 6.056 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -6.336 -4.729 3.284 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -6.817 -3.282 4.148 1.00 0.00 H new ATOM 0 HG LEU A 82 -3.905 -3.849 3.627 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -4.055 -2.555 1.542 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -4.984 -4.071 1.459 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -5.828 -2.522 1.695 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -3.731 -1.398 3.719 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -5.482 -1.289 4.015 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -4.425 -2.076 5.210 1.00 0.00 H new ATOM 1196 N ASP A 83 -7.295 -5.086 7.181 1.00 0.00 N ATOM 1197 CA ASP A 83 -8.459 -5.642 7.850 1.00 0.00 C ATOM 1198 C ASP A 83 -9.597 -4.620 7.819 1.00 0.00 C ATOM 1199 O ASP A 83 -9.466 -3.558 7.212 1.00 0.00 O ATOM 1200 CB ASP A 83 -8.151 -5.964 9.314 1.00 0.00 C ATOM 1201 CG ASP A 83 -7.124 -5.043 9.976 1.00 0.00 C ATOM 1202 OD1 ASP A 83 -7.382 -3.820 9.988 1.00 0.00 O ATOM 1203 OD2 ASP A 83 -6.104 -5.583 10.456 1.00 0.00 O ATOM 0 H ASP A 83 -6.721 -4.475 7.762 1.00 0.00 H new ATOM 0 HA ASP A 83 -8.741 -6.558 7.331 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -9.079 -5.917 9.884 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -7.790 -6.991 9.376 1.00 0.00 H new ATOM 1208 N ASN A 84 -10.688 -4.976 8.482 1.00 0.00 N ATOM 1209 CA ASN A 84 -11.848 -4.103 8.538 1.00 0.00 C ATOM 1210 C ASN A 84 -12.397 -3.901 7.124 1.00 0.00 C ATOM 1211 O ASN A 84 -12.490 -2.772 6.646 1.00 0.00 O ATOM 1212 CB ASN A 84 -11.477 -2.730 9.101 1.00 0.00 C ATOM 1213 CG ASN A 84 -11.652 -2.695 10.621 1.00 0.00 C ATOM 1214 OD1 ASN A 84 -12.710 -2.983 11.156 1.00 0.00 O ATOM 1215 ND2 ASN A 84 -10.559 -2.328 11.284 1.00 0.00 N ATOM 0 H ASN A 84 -10.793 -5.857 8.985 1.00 0.00 H new ATOM 0 HA ASN A 84 -12.591 -4.570 9.185 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -10.444 -2.495 8.845 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -12.102 -1.964 8.642 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -10.574 -2.274 12.302 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -9.706 -2.100 10.774 1.00 0.00 H new ATOM 1222 N LEU A 85 -12.748 -5.013 6.495 1.00 0.00 N ATOM 1223 CA LEU A 85 -13.286 -4.973 5.146 1.00 0.00 C ATOM 1224 C LEU A 85 -14.721 -5.502 5.158 1.00 0.00 C ATOM 1225 O LEU A 85 -15.274 -5.783 6.220 1.00 0.00 O ATOM 1226 CB LEU A 85 -12.363 -5.717 4.179 1.00 0.00 C ATOM 1227 CG LEU A 85 -10.871 -5.403 4.299 1.00 0.00 C ATOM 1228 CD1 LEU A 85 -10.061 -6.180 3.259 1.00 0.00 C ATOM 1229 CD2 LEU A 85 -10.619 -3.897 4.214 1.00 0.00 C ATOM 0 H LEU A 85 -12.670 -5.948 6.895 1.00 0.00 H new ATOM 0 HA LEU A 85 -13.328 -3.946 4.783 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -12.501 -6.788 4.328 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -12.680 -5.493 3.161 1.00 0.00 H new ATOM 0 HG LEU A 85 -10.531 -5.731 5.281 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -9.004 -5.938 3.367 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -10.206 -7.250 3.410 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -10.396 -5.906 2.258 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -9.550 -3.701 4.302 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -10.979 -3.521 3.256 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -11.148 -3.393 5.023 1.00 0.00 H new ATOM 1241 N LYS A 86 -15.283 -5.623 3.964 1.00 0.00 N ATOM 1242 CA LYS A 86 -16.644 -6.114 3.824 1.00 0.00 C ATOM 1243 C LYS A 86 -16.616 -7.632 3.637 1.00 0.00 C ATOM 1244 O LYS A 86 -15.547 -8.227 3.513 1.00 0.00 O ATOM 1245 CB LYS A 86 -17.369 -5.369 2.702 1.00 0.00 C ATOM 1246 CG LYS A 86 -18.780 -4.965 3.134 1.00 0.00 C ATOM 1247 CD LYS A 86 -19.719 -4.878 1.929 1.00 0.00 C ATOM 1248 CE LYS A 86 -20.662 -6.082 1.883 1.00 0.00 C ATOM 1249 NZ LYS A 86 -21.064 -6.371 0.488 1.00 0.00 N ATOM 0 H LYS A 86 -14.821 -5.390 3.085 1.00 0.00 H new ATOM 0 HA LYS A 86 -17.217 -5.914 4.729 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -16.801 -4.481 2.425 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -17.423 -6.002 1.816 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -19.167 -5.691 3.849 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -18.746 -4.002 3.644 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -20.300 -3.958 1.982 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -19.135 -4.834 1.010 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -20.170 -6.954 2.314 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -21.546 -5.883 2.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -22.075 -6.613 0.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -20.893 -5.533 -0.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -20.507 -7.170 0.125 1.00 0.00 H new ATOM 1263 N LYS A 87 -17.806 -8.216 3.623 1.00 0.00 N ATOM 1264 CA LYS A 87 -17.932 -9.653 3.453 1.00 0.00 C ATOM 1265 C LYS A 87 -18.254 -9.963 1.990 1.00 0.00 C ATOM 1266 O LYS A 87 -19.366 -9.711 1.529 1.00 0.00 O ATOM 1267 CB LYS A 87 -18.952 -10.222 4.441 1.00 0.00 C ATOM 1268 CG LYS A 87 -18.365 -10.297 5.852 1.00 0.00 C ATOM 1269 CD LYS A 87 -19.474 -10.388 6.903 1.00 0.00 C ATOM 1270 CE LYS A 87 -19.262 -11.594 7.821 1.00 0.00 C ATOM 1271 NZ LYS A 87 -20.247 -11.583 8.925 1.00 0.00 N ATOM 0 H LYS A 87 -18.691 -7.720 3.727 1.00 0.00 H new ATOM 0 HA LYS A 87 -16.989 -10.148 3.684 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -19.845 -9.597 4.447 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -19.261 -11.216 4.118 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -17.711 -11.165 5.932 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -17.751 -9.417 6.042 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -19.494 -9.474 7.496 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -20.442 -10.468 6.409 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -19.359 -12.516 7.248 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -18.251 -11.576 8.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -20.090 -12.408 9.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -20.135 -10.711 9.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -21.209 -11.622 8.532 1.00 0.00 H new ATOM 1285 N PHE A 88 -17.261 -10.506 1.301 1.00 0.00 N ATOM 1286 CA PHE A 88 -17.425 -10.853 -0.101 1.00 0.00 C ATOM 1287 C PHE A 88 -17.800 -9.624 -0.930 1.00 0.00 C ATOM 1288 O PHE A 88 -18.940 -9.493 -1.373 1.00 0.00 O ATOM 1289 CB PHE A 88 -18.564 -11.872 -0.179 1.00 0.00 C ATOM 1290 CG PHE A 88 -18.752 -12.491 -1.566 1.00 0.00 C ATOM 1291 CD1 PHE A 88 -17.668 -12.770 -2.338 1.00 0.00 C ATOM 1292 CD2 PHE A 88 -20.003 -12.761 -2.026 1.00 0.00 C ATOM 1293 CE1 PHE A 88 -17.842 -13.344 -3.625 1.00 0.00 C ATOM 1294 CE2 PHE A 88 -20.177 -13.335 -3.313 1.00 0.00 C ATOM 1295 CZ PHE A 88 -19.093 -13.614 -4.086 1.00 0.00 C ATOM 0 H PHE A 88 -16.340 -10.714 1.687 1.00 0.00 H new ATOM 0 HA PHE A 88 -16.492 -11.254 -0.496 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -18.375 -12.669 0.540 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -19.493 -11.387 0.120 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -16.675 -12.555 -1.972 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -20.864 -12.539 -1.413 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -16.981 -13.566 -4.238 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -21.170 -13.550 -3.678 1.00 0.00 H new ATOM 0 HZ PHE A 88 -19.226 -14.050 -5.065 1.00 0.00 H new ATOM 1305 N ALA A 89 -16.818 -8.753 -1.115 1.00 0.00 N ATOM 1306 CA ALA A 89 -17.030 -7.538 -1.883 1.00 0.00 C ATOM 1307 C ALA A 89 -15.732 -7.159 -2.599 1.00 0.00 C ATOM 1308 O ALA A 89 -14.642 -7.448 -2.108 1.00 0.00 O ATOM 1309 CB ALA A 89 -17.531 -6.428 -0.957 1.00 0.00 C ATOM 0 H ALA A 89 -15.874 -8.865 -0.746 1.00 0.00 H new ATOM 0 HA ALA A 89 -17.793 -7.695 -2.645 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -17.690 -5.517 -1.534 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -18.470 -6.734 -0.497 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -16.790 -6.241 -0.180 1.00 0.00 H new ATOM 1315 N GLN A 90 -15.892 -6.518 -3.747 1.00 0.00 N ATOM 1316 CA GLN A 90 -14.746 -6.096 -4.535 1.00 0.00 C ATOM 1317 C GLN A 90 -14.076 -4.882 -3.889 1.00 0.00 C ATOM 1318 O GLN A 90 -14.744 -3.907 -3.549 1.00 0.00 O ATOM 1319 CB GLN A 90 -15.154 -5.794 -5.978 1.00 0.00 C ATOM 1320 CG GLN A 90 -13.990 -5.184 -6.761 1.00 0.00 C ATOM 1321 CD GLN A 90 -14.322 -5.087 -8.251 1.00 0.00 C ATOM 1322 OE1 GLN A 90 -14.318 -6.067 -8.979 1.00 0.00 O ATOM 1323 NE2 GLN A 90 -14.609 -3.856 -8.663 1.00 0.00 N ATOM 0 H GLN A 90 -16.798 -6.280 -4.151 1.00 0.00 H new ATOM 0 HA GLN A 90 -14.026 -6.914 -4.560 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -15.484 -6.711 -6.466 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -16.001 -5.107 -5.984 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -13.764 -4.192 -6.370 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -13.096 -5.792 -6.623 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -14.594 -3.080 -8.001 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -14.844 -3.687 -9.641 1.00 0.00 H new ATOM 1332 N TYR A 91 -12.763 -4.981 -3.738 1.00 0.00 N ATOM 1333 CA TYR A 91 -11.995 -3.903 -3.139 1.00 0.00 C ATOM 1334 C TYR A 91 -10.766 -3.568 -3.987 1.00 0.00 C ATOM 1335 O TYR A 91 -10.017 -4.461 -4.380 1.00 0.00 O ATOM 1336 CB TYR A 91 -11.533 -4.422 -1.776 1.00 0.00 C ATOM 1337 CG TYR A 91 -12.356 -3.895 -0.598 1.00 0.00 C ATOM 1338 CD1 TYR A 91 -12.002 -2.712 0.017 1.00 0.00 C ATOM 1339 CD2 TYR A 91 -13.452 -4.605 -0.151 1.00 0.00 C ATOM 1340 CE1 TYR A 91 -12.777 -2.216 1.125 1.00 0.00 C ATOM 1341 CE2 TYR A 91 -14.227 -4.109 0.958 1.00 0.00 C ATOM 1342 CZ TYR A 91 -13.851 -2.940 1.541 1.00 0.00 C ATOM 1343 OH TYR A 91 -14.582 -2.472 2.588 1.00 0.00 O ATOM 0 H TYR A 91 -12.212 -5.791 -4.020 1.00 0.00 H new ATOM 0 HA TYR A 91 -12.599 -2.999 -3.060 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -11.578 -5.511 -1.779 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -10.489 -4.146 -1.629 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -11.144 -2.158 -0.332 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -13.729 -5.532 -0.632 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -12.512 -1.291 1.614 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -15.087 -4.654 1.318 1.00 0.00 H new ATOM 0 HH TYR A 91 -14.542 -1.493 2.603 1.00 0.00 H new ATOM 1353 N GLY A 92 -10.598 -2.279 -4.244 1.00 0.00 N ATOM 1354 CA GLY A 92 -9.473 -1.816 -5.038 1.00 0.00 C ATOM 1355 C GLY A 92 -8.525 -0.958 -4.198 1.00 0.00 C ATOM 1356 O GLY A 92 -8.856 0.171 -3.839 1.00 0.00 O ATOM 0 H GLY A 92 -11.222 -1.541 -3.917 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -8.932 -2.672 -5.443 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -9.836 -1.238 -5.887 1.00 0.00 H new ATOM 1360 N VAL A 93 -7.365 -1.528 -3.907 1.00 0.00 N ATOM 1361 CA VAL A 93 -6.366 -0.830 -3.115 1.00 0.00 C ATOM 1362 C VAL A 93 -5.105 -0.627 -3.957 1.00 0.00 C ATOM 1363 O VAL A 93 -4.863 -1.368 -4.909 1.00 0.00 O ATOM 1364 CB VAL A 93 -6.101 -1.594 -1.816 1.00 0.00 C ATOM 1365 CG1 VAL A 93 -6.362 -3.090 -1.997 1.00 0.00 C ATOM 1366 CG2 VAL A 93 -4.679 -1.342 -1.312 1.00 0.00 C ATOM 0 H VAL A 93 -7.094 -2.465 -4.205 1.00 0.00 H new ATOM 0 HA VAL A 93 -6.728 0.157 -2.828 1.00 0.00 H new ATOM 0 HB VAL A 93 -6.794 -1.222 -1.061 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -6.166 -3.610 -1.059 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -7.401 -3.246 -2.288 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -5.705 -3.483 -2.773 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -4.517 -1.897 -0.388 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -3.963 -1.673 -2.064 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -4.543 -0.277 -1.125 1.00 0.00 H new ATOM 1376 N VAL A 94 -4.333 0.380 -3.575 1.00 0.00 N ATOM 1377 CA VAL A 94 -3.102 0.690 -4.283 1.00 0.00 C ATOM 1378 C VAL A 94 -1.940 0.717 -3.289 1.00 0.00 C ATOM 1379 O VAL A 94 -2.136 0.999 -2.107 1.00 0.00 O ATOM 1380 CB VAL A 94 -3.259 2.001 -5.056 1.00 0.00 C ATOM 1381 CG1 VAL A 94 -4.322 1.870 -6.148 1.00 0.00 C ATOM 1382 CG2 VAL A 94 -3.584 3.159 -4.110 1.00 0.00 C ATOM 0 H VAL A 94 -4.536 0.992 -2.784 1.00 0.00 H new ATOM 0 HA VAL A 94 -2.881 -0.082 -5.020 1.00 0.00 H new ATOM 0 HB VAL A 94 -2.307 2.221 -5.540 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -4.413 2.816 -6.682 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -4.031 1.085 -6.847 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -5.280 1.615 -5.695 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -3.691 4.079 -4.684 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -4.516 2.949 -3.585 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -2.777 3.275 -3.386 1.00 0.00 H new ATOM 1392 N VAL A 95 -0.756 0.420 -3.803 1.00 0.00 N ATOM 1393 CA VAL A 95 0.438 0.407 -2.975 1.00 0.00 C ATOM 1394 C VAL A 95 1.464 1.384 -3.551 1.00 0.00 C ATOM 1395 O VAL A 95 1.630 1.470 -4.767 1.00 0.00 O ATOM 1396 CB VAL A 95 0.975 -1.021 -2.853 1.00 0.00 C ATOM 1397 CG1 VAL A 95 2.123 -1.091 -1.844 1.00 0.00 C ATOM 1398 CG2 VAL A 95 -0.143 -1.997 -2.481 1.00 0.00 C ATOM 0 H VAL A 95 -0.598 0.186 -4.783 1.00 0.00 H new ATOM 0 HA VAL A 95 0.205 0.740 -1.964 1.00 0.00 H new ATOM 0 HB VAL A 95 1.367 -1.316 -3.826 1.00 0.00 H new ATOM 0 HG11 VAL A 95 2.486 -2.117 -1.777 1.00 0.00 H new ATOM 0 HG12 VAL A 95 2.934 -0.440 -2.170 1.00 0.00 H new ATOM 0 HG13 VAL A 95 1.768 -0.767 -0.866 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.265 -3.004 -2.401 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -0.578 -1.705 -1.525 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -0.914 -1.978 -3.252 1.00 0.00 H new ATOM 1408 N GLN A 96 2.126 2.097 -2.651 1.00 0.00 N ATOM 1409 CA GLN A 96 3.132 3.065 -3.055 1.00 0.00 C ATOM 1410 C GLN A 96 4.232 3.160 -1.997 1.00 0.00 C ATOM 1411 O GLN A 96 3.961 3.043 -0.802 1.00 0.00 O ATOM 1412 CB GLN A 96 2.501 4.434 -3.315 1.00 0.00 C ATOM 1413 CG GLN A 96 1.344 4.698 -2.349 1.00 0.00 C ATOM 1414 CD GLN A 96 0.641 6.015 -2.683 1.00 0.00 C ATOM 1415 OE1 GLN A 96 -0.173 6.102 -3.588 1.00 0.00 O ATOM 1416 NE2 GLN A 96 0.998 7.032 -1.903 1.00 0.00 N ATOM 0 H GLN A 96 1.985 2.024 -1.643 1.00 0.00 H new ATOM 0 HA GLN A 96 3.582 2.725 -3.988 1.00 0.00 H new ATOM 0 HB2 GLN A 96 3.256 5.213 -3.205 1.00 0.00 H new ATOM 0 HB3 GLN A 96 2.140 4.483 -4.342 1.00 0.00 H new ATOM 0 HG2 GLN A 96 0.629 3.877 -2.399 1.00 0.00 H new ATOM 0 HG3 GLN A 96 1.720 4.731 -1.326 1.00 0.00 H new ATOM 0 HE21 GLN A 96 1.686 6.890 -1.163 1.00 0.00 H new ATOM 0 HE22 GLN A 96 0.584 7.953 -2.045 1.00 0.00 H new ATOM 1425 N ALA A 97 5.450 3.372 -2.473 1.00 0.00 N ATOM 1426 CA ALA A 97 6.593 3.484 -1.582 1.00 0.00 C ATOM 1427 C ALA A 97 6.797 4.953 -1.204 1.00 0.00 C ATOM 1428 O ALA A 97 6.791 5.827 -2.070 1.00 0.00 O ATOM 1429 CB ALA A 97 7.826 2.878 -2.255 1.00 0.00 C ATOM 0 H ALA A 97 5.671 3.469 -3.464 1.00 0.00 H new ATOM 0 HA ALA A 97 6.418 2.928 -0.661 1.00 0.00 H new ATOM 0 HB1 ALA A 97 8.683 2.962 -1.587 1.00 0.00 H new ATOM 0 HB2 ALA A 97 7.640 1.827 -2.476 1.00 0.00 H new ATOM 0 HB3 ALA A 97 8.034 3.413 -3.182 1.00 0.00 H new ATOM 1435 N PHE A 98 6.973 5.179 0.089 1.00 0.00 N ATOM 1436 CA PHE A 98 7.179 6.527 0.592 1.00 0.00 C ATOM 1437 C PHE A 98 8.438 6.603 1.458 1.00 0.00 C ATOM 1438 O PHE A 98 8.656 5.753 2.320 1.00 0.00 O ATOM 1439 CB PHE A 98 5.962 6.874 1.452 1.00 0.00 C ATOM 1440 CG PHE A 98 6.026 6.315 2.875 1.00 0.00 C ATOM 1441 CD1 PHE A 98 6.886 6.854 3.779 1.00 0.00 C ATOM 1442 CD2 PHE A 98 5.221 5.279 3.235 1.00 0.00 C ATOM 1443 CE1 PHE A 98 6.945 6.335 5.100 1.00 0.00 C ATOM 1444 CE2 PHE A 98 5.280 4.760 4.556 1.00 0.00 C ATOM 1445 CZ PHE A 98 6.141 5.299 5.460 1.00 0.00 C ATOM 0 H PHE A 98 6.977 4.452 0.804 1.00 0.00 H new ATOM 0 HA PHE A 98 7.301 7.220 -0.241 1.00 0.00 H new ATOM 0 HB2 PHE A 98 5.863 7.958 1.503 1.00 0.00 H new ATOM 0 HB3 PHE A 98 5.065 6.494 0.963 1.00 0.00 H new ATOM 0 HD1 PHE A 98 7.524 7.677 3.493 1.00 0.00 H new ATOM 0 HD2 PHE A 98 4.537 4.851 2.517 1.00 0.00 H new ATOM 0 HE1 PHE A 98 7.628 6.763 5.818 1.00 0.00 H new ATOM 0 HE2 PHE A 98 4.641 3.938 4.842 1.00 0.00 H new ATOM 0 HZ PHE A 98 6.186 4.904 6.464 1.00 0.00 H new ATOM 1455 N ASN A 99 9.235 7.629 1.198 1.00 0.00 N ATOM 1456 CA ASN A 99 10.467 7.827 1.942 1.00 0.00 C ATOM 1457 C ASN A 99 10.461 9.223 2.568 1.00 0.00 C ATOM 1458 O ASN A 99 9.517 9.989 2.377 1.00 0.00 O ATOM 1459 CB ASN A 99 11.687 7.725 1.025 1.00 0.00 C ATOM 1460 CG ASN A 99 11.515 8.603 -0.217 1.00 0.00 C ATOM 1461 OD1 ASN A 99 11.302 9.801 -0.137 1.00 0.00 O ATOM 1462 ND2 ASN A 99 11.618 7.940 -1.366 1.00 0.00 N ATOM 0 H ASN A 99 9.051 8.332 0.482 1.00 0.00 H new ATOM 0 HA ASN A 99 10.526 7.054 2.708 1.00 0.00 H new ATOM 0 HB2 ASN A 99 12.581 8.029 1.569 1.00 0.00 H new ATOM 0 HB3 ASN A 99 11.834 6.688 0.724 1.00 0.00 H new ATOM 0 HD21 ASN A 99 11.517 8.436 -2.252 1.00 0.00 H new ATOM 0 HD22 ASN A 99 11.798 6.936 -1.361 1.00 0.00 H new ATOM 1469 N ARG A 100 11.525 9.512 3.302 1.00 0.00 N ATOM 1470 CA ARG A 100 11.654 10.803 3.957 1.00 0.00 C ATOM 1471 C ARG A 100 11.797 11.915 2.916 1.00 0.00 C ATOM 1472 O ARG A 100 11.630 13.092 3.232 1.00 0.00 O ATOM 1473 CB ARG A 100 12.867 10.829 4.890 1.00 0.00 C ATOM 1474 CG ARG A 100 12.456 10.525 6.332 1.00 0.00 C ATOM 1475 CD ARG A 100 12.083 11.808 7.078 1.00 0.00 C ATOM 1476 NE ARG A 100 11.183 11.492 8.209 1.00 0.00 N ATOM 1477 CZ ARG A 100 9.857 11.337 8.093 1.00 0.00 C ATOM 1478 NH1 ARG A 100 9.269 11.467 6.896 1.00 0.00 N ATOM 1479 NH2 ARG A 100 9.119 11.052 9.174 1.00 0.00 N ATOM 0 H ARG A 100 12.306 8.875 3.458 1.00 0.00 H new ATOM 0 HA ARG A 100 10.752 10.966 4.547 1.00 0.00 H new ATOM 0 HB2 ARG A 100 13.603 10.098 4.556 1.00 0.00 H new ATOM 0 HB3 ARG A 100 13.346 11.807 4.843 1.00 0.00 H new ATOM 0 HG2 ARG A 100 11.609 9.839 6.336 1.00 0.00 H new ATOM 0 HG3 ARG A 100 13.274 10.024 6.849 1.00 0.00 H new ATOM 0 HD2 ARG A 100 12.984 12.300 7.446 1.00 0.00 H new ATOM 0 HD3 ARG A 100 11.594 12.505 6.397 1.00 0.00 H new ATOM 0 HE ARG A 100 11.598 11.385 9.135 1.00 0.00 H new ATOM 0 HH11 ARG A 100 9.831 11.684 6.073 1.00 0.00 H new ATOM 0 HH12 ARG A 100 8.260 11.349 6.808 1.00 0.00 H new ATOM 0 HH21 ARG A 100 9.566 10.953 10.085 1.00 0.00 H new ATOM 0 HH22 ARG A 100 8.110 10.934 9.086 1.00 0.00 H new ATOM 1493 N ALA A 101 12.104 11.502 1.695 1.00 0.00 N ATOM 1494 CA ALA A 101 12.271 12.448 0.605 1.00 0.00 C ATOM 1495 C ALA A 101 10.899 12.803 0.028 1.00 0.00 C ATOM 1496 O ALA A 101 10.720 13.878 -0.542 1.00 0.00 O ATOM 1497 CB ALA A 101 13.209 11.855 -0.448 1.00 0.00 C ATOM 0 H ALA A 101 12.241 10.525 1.437 1.00 0.00 H new ATOM 0 HA ALA A 101 12.727 13.370 0.965 1.00 0.00 H new ATOM 0 HB1 ALA A 101 13.334 12.565 -1.265 1.00 0.00 H new ATOM 0 HB2 ALA A 101 14.179 11.648 0.004 1.00 0.00 H new ATOM 0 HB3 ALA A 101 12.783 10.929 -0.834 1.00 0.00 H new ATOM 1503 N GLY A 102 9.964 11.879 0.197 1.00 0.00 N ATOM 1504 CA GLY A 102 8.614 12.080 -0.299 1.00 0.00 C ATOM 1505 C GLY A 102 7.958 10.747 -0.663 1.00 0.00 C ATOM 1506 O GLY A 102 8.517 9.683 -0.397 1.00 0.00 O ATOM 0 H GLY A 102 10.116 10.989 0.671 1.00 0.00 H new ATOM 0 HA2 GLY A 102 8.017 12.588 0.458 1.00 0.00 H new ATOM 0 HA3 GLY A 102 8.638 12.729 -1.175 1.00 0.00 H new ATOM 1510 N THR A 103 6.782 10.846 -1.265 1.00 0.00 N ATOM 1511 CA THR A 103 6.045 9.661 -1.667 1.00 0.00 C ATOM 1512 C THR A 103 6.037 9.530 -3.192 1.00 0.00 C ATOM 1513 O THR A 103 6.225 10.515 -3.904 1.00 0.00 O ATOM 1514 CB THR A 103 4.644 9.746 -1.057 1.00 0.00 C ATOM 1515 OG1 THR A 103 4.882 9.994 0.325 1.00 0.00 O ATOM 1516 CG2 THR A 103 3.916 8.400 -1.074 1.00 0.00 C ATOM 0 H THR A 103 6.321 11.729 -1.484 1.00 0.00 H new ATOM 0 HA THR A 103 6.522 8.754 -1.297 1.00 0.00 H new ATOM 0 HB THR A 103 4.055 10.484 -1.601 1.00 0.00 H new ATOM 0 HG1 THR A 103 4.026 10.065 0.797 1.00 0.00 H new ATOM 0 HG21 THR A 103 2.927 8.516 -0.630 1.00 0.00 H new ATOM 0 HG22 THR A 103 3.814 8.055 -2.103 1.00 0.00 H new ATOM 0 HG23 THR A 103 4.488 7.670 -0.501 1.00 0.00 H new ATOM 1524 N GLY A 104 5.816 8.306 -3.647 1.00 0.00 N ATOM 1525 CA GLY A 104 5.781 8.033 -5.074 1.00 0.00 C ATOM 1526 C GLY A 104 4.341 7.868 -5.566 1.00 0.00 C ATOM 1527 O GLY A 104 3.396 8.040 -4.798 1.00 0.00 O ATOM 0 H GLY A 104 5.659 7.492 -3.053 1.00 0.00 H new ATOM 0 HA2 GLY A 104 6.263 8.847 -5.615 1.00 0.00 H new ATOM 0 HA3 GLY A 104 6.348 7.127 -5.289 1.00 0.00 H new ATOM 1531 N PRO A 105 4.217 7.527 -6.876 1.00 0.00 N ATOM 1532 CA PRO A 105 2.909 7.337 -7.479 1.00 0.00 C ATOM 1533 C PRO A 105 2.290 6.009 -7.039 1.00 0.00 C ATOM 1534 O PRO A 105 3.007 5.068 -6.702 1.00 0.00 O ATOM 1535 CB PRO A 105 3.152 7.412 -8.978 1.00 0.00 C ATOM 1536 CG PRO A 105 4.641 7.177 -9.171 1.00 0.00 C ATOM 1537 CD PRO A 105 5.314 7.315 -7.815 1.00 0.00 C ATOM 0 HA PRO A 105 2.188 8.093 -7.168 1.00 0.00 H new ATOM 0 HB2 PRO A 105 2.566 6.660 -9.507 1.00 0.00 H new ATOM 0 HB3 PRO A 105 2.855 8.383 -9.374 1.00 0.00 H new ATOM 0 HG2 PRO A 105 4.820 6.186 -9.587 1.00 0.00 H new ATOM 0 HG3 PRO A 105 5.053 7.898 -9.877 1.00 0.00 H new ATOM 0 HD2 PRO A 105 5.884 6.421 -7.563 1.00 0.00 H new ATOM 0 HD3 PRO A 105 6.013 8.152 -7.803 1.00 0.00 H new ATOM 1545 N SER A 106 0.966 5.974 -7.058 1.00 0.00 N ATOM 1546 CA SER A 106 0.243 4.777 -6.665 1.00 0.00 C ATOM 1547 C SER A 106 0.337 3.723 -7.770 1.00 0.00 C ATOM 1548 O SER A 106 0.480 4.060 -8.944 1.00 0.00 O ATOM 1549 CB SER A 106 -1.222 5.094 -6.358 1.00 0.00 C ATOM 1550 OG SER A 106 -1.709 6.181 -7.140 1.00 0.00 O ATOM 0 H SER A 106 0.375 6.756 -7.340 1.00 0.00 H new ATOM 0 HA SER A 106 0.700 4.384 -5.757 1.00 0.00 H new ATOM 0 HB2 SER A 106 -1.831 4.210 -6.547 1.00 0.00 H new ATOM 0 HB3 SER A 106 -1.327 5.333 -5.300 1.00 0.00 H new ATOM 0 HG SER A 106 -1.370 6.103 -8.056 1.00 0.00 H new ATOM 1556 N SER A 107 0.253 2.467 -7.355 1.00 0.00 N ATOM 1557 CA SER A 107 0.327 1.362 -8.295 1.00 0.00 C ATOM 1558 C SER A 107 -1.036 1.144 -8.955 1.00 0.00 C ATOM 1559 O SER A 107 -2.036 1.722 -8.530 1.00 0.00 O ATOM 1560 CB SER A 107 0.791 0.080 -7.602 1.00 0.00 C ATOM 1561 OG SER A 107 -0.191 -0.428 -6.703 1.00 0.00 O ATOM 0 H SER A 107 0.134 2.191 -6.380 1.00 0.00 H new ATOM 0 HA SER A 107 1.059 1.614 -9.062 1.00 0.00 H new ATOM 0 HB2 SER A 107 1.020 -0.676 -8.354 1.00 0.00 H new ATOM 0 HB3 SER A 107 1.714 0.277 -7.057 1.00 0.00 H new ATOM 0 HG SER A 107 -0.884 -0.902 -7.209 1.00 0.00 H new ATOM 1567 N SER A 108 -1.033 0.310 -9.985 1.00 0.00 N ATOM 1568 CA SER A 108 -2.257 0.009 -10.708 1.00 0.00 C ATOM 1569 C SER A 108 -3.284 -0.617 -9.761 1.00 0.00 C ATOM 1570 O SER A 108 -3.045 -1.686 -9.201 1.00 0.00 O ATOM 1571 CB SER A 108 -1.984 -0.925 -11.888 1.00 0.00 C ATOM 1572 OG SER A 108 -0.597 -1.219 -12.027 1.00 0.00 O ATOM 0 H SER A 108 -0.202 -0.167 -10.336 1.00 0.00 H new ATOM 0 HA SER A 108 -2.659 0.942 -11.104 1.00 0.00 H new ATOM 0 HB2 SER A 108 -2.539 -1.853 -11.752 1.00 0.00 H new ATOM 0 HB3 SER A 108 -2.351 -0.466 -12.806 1.00 0.00 H new ATOM 0 HG SER A 108 -0.319 -1.829 -11.312 1.00 0.00 H new ATOM 1578 N GLU A 109 -4.404 0.075 -9.613 1.00 0.00 N ATOM 1579 CA GLU A 109 -5.467 -0.400 -8.744 1.00 0.00 C ATOM 1580 C GLU A 109 -5.966 -1.768 -9.215 1.00 0.00 C ATOM 1581 O GLU A 109 -6.364 -1.924 -10.368 1.00 0.00 O ATOM 1582 CB GLU A 109 -6.615 0.609 -8.680 1.00 0.00 C ATOM 1583 CG GLU A 109 -7.753 0.091 -7.799 1.00 0.00 C ATOM 1584 CD GLU A 109 -9.114 0.518 -8.353 1.00 0.00 C ATOM 1585 OE1 GLU A 109 -9.182 1.648 -8.883 1.00 0.00 O ATOM 1586 OE2 GLU A 109 -10.055 -0.296 -8.235 1.00 0.00 O ATOM 0 H GLU A 109 -4.598 0.961 -10.080 1.00 0.00 H new ATOM 0 HA GLU A 109 -5.065 -0.508 -7.737 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -6.249 1.557 -8.287 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -6.989 0.804 -9.685 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -7.706 -0.996 -7.740 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -7.634 0.471 -6.784 1.00 0.00 H new ATOM 1593 N ILE A 110 -5.927 -2.724 -8.298 1.00 0.00 N ATOM 1594 CA ILE A 110 -6.370 -4.073 -8.604 1.00 0.00 C ATOM 1595 C ILE A 110 -7.684 -4.353 -7.872 1.00 0.00 C ATOM 1596 O ILE A 110 -8.353 -3.428 -7.415 1.00 0.00 O ATOM 1597 CB ILE A 110 -5.265 -5.084 -8.292 1.00 0.00 C ATOM 1598 CG1 ILE A 110 -3.896 -4.402 -8.246 1.00 0.00 C ATOM 1599 CG2 ILE A 110 -5.292 -6.249 -9.283 1.00 0.00 C ATOM 1600 CD1 ILE A 110 -2.785 -5.420 -7.976 1.00 0.00 C ATOM 0 H ILE A 110 -5.595 -2.591 -7.343 1.00 0.00 H new ATOM 0 HA ILE A 110 -6.571 -4.174 -9.670 1.00 0.00 H new ATOM 0 HB ILE A 110 -5.451 -5.500 -7.302 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -3.707 -3.894 -9.192 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -3.892 -3.639 -7.468 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -4.496 -6.953 -9.039 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -6.255 -6.755 -9.223 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -5.143 -5.870 -10.294 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -1.822 -4.909 -7.948 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -2.964 -5.909 -7.018 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -2.776 -6.168 -8.769 1.00 0.00 H new ATOM 1612 N ASN A 111 -8.014 -5.633 -7.782 1.00 0.00 N ATOM 1613 CA ASN A 111 -9.235 -6.046 -7.113 1.00 0.00 C ATOM 1614 C ASN A 111 -9.023 -7.421 -6.476 1.00 0.00 C ATOM 1615 O ASN A 111 -8.203 -8.207 -6.947 1.00 0.00 O ATOM 1616 CB ASN A 111 -10.395 -6.159 -8.104 1.00 0.00 C ATOM 1617 CG ASN A 111 -10.024 -7.060 -9.284 1.00 0.00 C ATOM 1618 OD1 ASN A 111 -9.010 -7.739 -9.284 1.00 0.00 O ATOM 1619 ND2 ASN A 111 -10.897 -7.027 -10.286 1.00 0.00 N ATOM 0 H ASN A 111 -7.456 -6.398 -8.162 1.00 0.00 H new ATOM 0 HA ASN A 111 -9.476 -5.297 -6.359 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -11.273 -6.561 -7.597 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -10.663 -5.168 -8.469 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -10.738 -7.593 -11.120 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -11.726 -6.436 -10.221 1.00 0.00 H new ATOM 1626 N ALA A 112 -9.776 -7.668 -5.414 1.00 0.00 N ATOM 1627 CA ALA A 112 -9.680 -8.934 -4.707 1.00 0.00 C ATOM 1628 C ALA A 112 -10.877 -9.079 -3.765 1.00 0.00 C ATOM 1629 O ALA A 112 -10.874 -8.532 -2.664 1.00 0.00 O ATOM 1630 CB ALA A 112 -8.343 -9.006 -3.967 1.00 0.00 C ATOM 0 H ALA A 112 -10.455 -7.013 -5.026 1.00 0.00 H new ATOM 0 HA ALA A 112 -9.709 -9.768 -5.408 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -8.271 -9.956 -3.437 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -7.526 -8.928 -4.684 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -8.278 -8.186 -3.252 1.00 0.00 H new ATOM 1636 N THR A 113 -11.871 -9.820 -4.233 1.00 0.00 N ATOM 1637 CA THR A 113 -13.071 -10.044 -3.445 1.00 0.00 C ATOM 1638 C THR A 113 -12.769 -10.965 -2.262 1.00 0.00 C ATOM 1639 O THR A 113 -12.281 -12.079 -2.447 1.00 0.00 O ATOM 1640 CB THR A 113 -14.154 -10.589 -4.379 1.00 0.00 C ATOM 1641 OG1 THR A 113 -14.046 -9.779 -5.546 1.00 0.00 O ATOM 1642 CG2 THR A 113 -15.567 -10.311 -3.862 1.00 0.00 C ATOM 0 H THR A 113 -11.870 -10.272 -5.147 1.00 0.00 H new ATOM 0 HA THR A 113 -13.436 -9.115 -3.007 1.00 0.00 H new ATOM 0 HB THR A 113 -14.018 -11.663 -4.504 1.00 0.00 H new ATOM 0 HG1 THR A 113 -14.712 -10.065 -6.206 1.00 0.00 H new ATOM 0 HG21 THR A 113 -16.297 -10.718 -4.562 1.00 0.00 H new ATOM 0 HG22 THR A 113 -15.697 -10.781 -2.887 1.00 0.00 H new ATOM 0 HG23 THR A 113 -15.715 -9.235 -3.768 1.00 0.00 H new ATOM 1650 N THR A 114 -13.072 -10.467 -1.073 1.00 0.00 N ATOM 1651 CA THR A 114 -12.839 -11.232 0.141 1.00 0.00 C ATOM 1652 C THR A 114 -13.667 -12.518 0.127 1.00 0.00 C ATOM 1653 O THR A 114 -14.724 -12.574 -0.499 1.00 0.00 O ATOM 1654 CB THR A 114 -13.142 -10.326 1.336 1.00 0.00 C ATOM 1655 OG1 THR A 114 -14.558 -10.171 1.303 1.00 0.00 O ATOM 1656 CG2 THR A 114 -12.607 -8.905 1.145 1.00 0.00 C ATOM 0 H THR A 114 -13.477 -9.543 -0.924 1.00 0.00 H new ATOM 0 HA THR A 114 -11.800 -11.553 0.214 1.00 0.00 H new ATOM 0 HB THR A 114 -12.709 -10.758 2.238 1.00 0.00 H new ATOM 0 HG1 THR A 114 -14.790 -9.241 1.508 1.00 0.00 H new ATOM 0 HG21 THR A 114 -12.849 -8.304 2.022 1.00 0.00 H new ATOM 0 HG22 THR A 114 -11.525 -8.938 1.015 1.00 0.00 H new ATOM 0 HG23 THR A 114 -13.065 -8.459 0.262 1.00 0.00 H new ATOM 1664 N LEU A 115 -13.155 -13.521 0.827 1.00 0.00 N ATOM 1665 CA LEU A 115 -13.834 -14.803 0.903 1.00 0.00 C ATOM 1666 C LEU A 115 -15.286 -14.582 1.330 1.00 0.00 C ATOM 1667 O LEU A 115 -15.577 -13.674 2.108 1.00 0.00 O ATOM 1668 CB LEU A 115 -13.065 -15.763 1.814 1.00 0.00 C ATOM 1669 CG LEU A 115 -11.560 -15.867 1.560 1.00 0.00 C ATOM 1670 CD1 LEU A 115 -10.937 -16.981 2.403 1.00 0.00 C ATOM 1671 CD2 LEU A 115 -11.266 -16.044 0.069 1.00 0.00 C ATOM 0 H LEU A 115 -12.278 -13.471 1.346 1.00 0.00 H new ATOM 0 HA LEU A 115 -13.858 -15.280 -0.077 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -13.218 -15.453 2.848 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -13.500 -16.757 1.711 1.00 0.00 H new ATOM 0 HG LEU A 115 -11.096 -14.931 1.871 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -9.867 -17.033 2.203 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -11.099 -16.771 3.460 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -11.401 -17.934 2.147 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -10.189 -16.115 -0.084 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -11.744 -16.955 -0.291 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -11.655 -15.188 -0.483 1.00 0.00 H new ATOM 1683 N GLU A 116 -16.160 -15.426 0.803 1.00 0.00 N ATOM 1684 CA GLU A 116 -17.575 -15.334 1.119 1.00 0.00 C ATOM 1685 C GLU A 116 -17.896 -16.167 2.362 1.00 0.00 C ATOM 1686 O GLU A 116 -19.053 -16.261 2.768 1.00 0.00 O ATOM 1687 CB GLU A 116 -18.432 -15.771 -0.070 1.00 0.00 C ATOM 1688 CG GLU A 116 -19.847 -16.142 0.380 1.00 0.00 C ATOM 1689 CD GLU A 116 -20.801 -16.215 -0.813 1.00 0.00 C ATOM 1690 OE1 GLU A 116 -21.293 -15.137 -1.213 1.00 0.00 O ATOM 1691 OE2 GLU A 116 -21.017 -17.346 -1.299 1.00 0.00 O ATOM 0 H GLU A 116 -15.915 -16.178 0.158 1.00 0.00 H new ATOM 0 HA GLU A 116 -17.813 -14.292 1.332 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -18.479 -14.966 -0.804 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -17.968 -16.625 -0.563 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -19.828 -17.103 0.894 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -20.210 -15.404 1.096 1.00 0.00 H new ATOM 1698 N SER A 117 -16.851 -16.750 2.931 1.00 0.00 N ATOM 1699 CA SER A 117 -17.007 -17.572 4.119 1.00 0.00 C ATOM 1700 C SER A 117 -15.634 -17.985 4.654 1.00 0.00 C ATOM 1701 O SER A 117 -14.986 -18.868 4.095 1.00 0.00 O ATOM 1702 CB SER A 117 -17.856 -18.810 3.825 1.00 0.00 C ATOM 1703 OG SER A 117 -18.762 -19.100 4.886 1.00 0.00 O ATOM 0 H SER A 117 -15.893 -16.669 2.591 1.00 0.00 H new ATOM 0 HA SER A 117 -17.523 -16.983 4.877 1.00 0.00 H new ATOM 0 HB2 SER A 117 -18.416 -18.655 2.903 1.00 0.00 H new ATOM 0 HB3 SER A 117 -17.203 -19.667 3.662 1.00 0.00 H new ATOM 0 HG SER A 117 -19.287 -19.896 4.660 1.00 0.00 H new ATOM 1709 N GLY A 118 -15.232 -17.326 5.730 1.00 0.00 N ATOM 1710 CA GLY A 118 -13.948 -17.613 6.347 1.00 0.00 C ATOM 1711 C GLY A 118 -12.893 -17.945 5.289 1.00 0.00 C ATOM 1712 O GLY A 118 -12.963 -17.454 4.163 1.00 0.00 O ATOM 0 H GLY A 118 -15.773 -16.594 6.191 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -13.622 -16.754 6.933 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -14.051 -18.450 7.038 1.00 0.00 H new ATOM 1716 N PRO A 119 -11.916 -18.797 5.699 1.00 0.00 N ATOM 1717 CA PRO A 119 -10.849 -19.200 4.799 1.00 0.00 C ATOM 1718 C PRO A 119 -11.352 -20.216 3.772 1.00 0.00 C ATOM 1719 O PRO A 119 -11.218 -20.005 2.568 1.00 0.00 O ATOM 1720 CB PRO A 119 -9.762 -19.758 5.704 1.00 0.00 C ATOM 1721 CG PRO A 119 -10.442 -20.076 7.025 1.00 0.00 C ATOM 1722 CD PRO A 119 -11.802 -19.398 7.025 1.00 0.00 C ATOM 0 HA PRO A 119 -10.466 -18.372 4.202 1.00 0.00 H new ATOM 0 HB2 PRO A 119 -9.314 -20.652 5.270 1.00 0.00 H new ATOM 0 HB3 PRO A 119 -8.959 -19.034 5.842 1.00 0.00 H new ATOM 0 HG2 PRO A 119 -10.553 -21.153 7.148 1.00 0.00 H new ATOM 0 HG3 PRO A 119 -9.838 -19.721 7.860 1.00 0.00 H new ATOM 0 HD2 PRO A 119 -12.602 -20.116 7.205 1.00 0.00 H new ATOM 0 HD3 PRO A 119 -11.868 -18.644 7.809 1.00 0.00 H new ATOM 1730 N SER A 120 -11.920 -21.297 4.285 1.00 0.00 N ATOM 1731 CA SER A 120 -12.444 -22.346 3.428 1.00 0.00 C ATOM 1732 C SER A 120 -13.052 -23.463 4.279 1.00 0.00 C ATOM 1733 O SER A 120 -14.219 -23.813 4.107 1.00 0.00 O ATOM 1734 CB SER A 120 -11.351 -22.909 2.516 1.00 0.00 C ATOM 1735 OG SER A 120 -11.870 -23.328 1.257 1.00 0.00 O ATOM 0 H SER A 120 -12.029 -21.469 5.284 1.00 0.00 H new ATOM 0 HA SER A 120 -13.221 -21.915 2.797 1.00 0.00 H new ATOM 0 HB2 SER A 120 -10.584 -22.150 2.358 1.00 0.00 H new ATOM 0 HB3 SER A 120 -10.867 -23.753 3.008 1.00 0.00 H new ATOM 0 HG SER A 120 -11.142 -23.679 0.703 1.00 0.00 H new ATOM 1741 N SER A 121 -12.235 -23.991 5.178 1.00 0.00 N ATOM 1742 CA SER A 121 -12.678 -25.060 6.056 1.00 0.00 C ATOM 1743 C SER A 121 -11.582 -25.393 7.070 1.00 0.00 C ATOM 1744 O SER A 121 -11.810 -25.332 8.277 1.00 0.00 O ATOM 1745 CB SER A 121 -13.057 -26.308 5.256 1.00 0.00 C ATOM 1746 OG SER A 121 -14.446 -26.609 5.362 1.00 0.00 O ATOM 0 H SER A 121 -11.268 -23.698 5.317 1.00 0.00 H new ATOM 0 HA SER A 121 -13.566 -24.719 6.589 1.00 0.00 H new ATOM 0 HB2 SER A 121 -12.797 -26.159 4.208 1.00 0.00 H new ATOM 0 HB3 SER A 121 -12.474 -27.157 5.612 1.00 0.00 H new ATOM 0 HG SER A 121 -14.971 -25.865 5.000 1.00 0.00 H new ATOM 1752 N GLY A 122 -10.417 -25.738 6.542 1.00 0.00 N ATOM 1753 CA GLY A 122 -9.285 -26.080 7.387 1.00 0.00 C ATOM 1754 C GLY A 122 -8.351 -24.881 7.565 1.00 0.00 C ATOM 1755 O GLY A 122 -7.462 -24.655 6.745 1.00 0.00 O ATOM 0 H GLY A 122 -10.232 -25.788 5.540 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -9.642 -26.415 8.361 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -8.735 -26.911 6.946 1.00 0.00 H new TER 1759 GLY A 122