USER MOD reduce.3.24.130724 H: found=0, std=0, add=618, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 511 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 39 HIS : no HD1:sc= -1.92 K(o=-1.1,f=-3.7!) USER MOD Set 1.2: A 63 HIS : no HE2:sc= 0.816 K(o=-1.1,f=-5.5!) USER MOD Set 2.1: A 45 HIS : no HE2:sc= 1.14 K(o=2.1,f=-3.7!) USER MOD Set 2.2: A 49 GLN : amide:sc= 0.858 K(o=2.1,f=-2.7!) USER MOD Set 2.3: A 57 ASN : amide:sc= 0.103 K(o=2.1,f=-1.4!) USER MOD Set 3.1: A 16 ASN : amide:sc= 0.199 K(o=0.93,f=-2.4!) USER MOD Set 3.2: A 17 ASN : amide:sc= 0.734 K(o=0.93,f=-0.46) USER MOD Set 4.1: A 15 HIS : no HD1:sc= 0.387 K(o=1.6,f=-6.4!) USER MOD Set 4.2: A 20 SER OG : rot -111:sc= 1.26 USER MOD Single : A 5 LYS NZ :NH3+ 166:sc= 1.92 (180deg=0.668!) USER MOD Single : A 6 TYR OH : rot 47:sc= 1.24 USER MOD Single : A 7 TYR OH : rot 19:sc= 1.16 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= 0.632 K(o=0.63,f=-0.093) USER MOD Single : A 14 LYS NZ :NH3+ 148:sc= 1.19 (180deg=0.765) USER MOD Single : A 18 SER OG : rot 180:sc= 0.0055 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot -140:sc= -0.307 USER MOD Single : A 26 HIS : no HD1:sc= -1.14 K(o=-1.1,f=-0.56) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -169:sc= 1.22 (180deg=1.16) USER MOD Single : A 30 TYR OH : rot 24:sc= 1.12 USER MOD Single : A 33 THR OG1 : rot 97:sc= 0.886 USER MOD Single : A 34 LYS NZ :NH3+ -169:sc= 0.957 (180deg=0.308) USER MOD Single : A 55 THR OG1 : rot 44:sc= 1.77 USER MOD Single : A 64 SER OG : rot 28:sc= 0.056 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.0274 USER MOD Single : A 71 SER OG : rot 180:sc= -0.0498 USER MOD Single : A 72 LYS NZ :NH3+ -145:sc= 0.921 (180deg=-3.29!) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HE2:sc= -2.7 K(o=-2.7,f=-11!) USER MOD ----------------------------------------------------------------- ATOM 29 N LYS A 5 4.328 -2.952 -13.592 1.00 0.00 N ATOM 30 CA LYS A 5 4.782 -4.328 -13.378 1.00 0.00 C ATOM 31 C LYS A 5 3.645 -5.239 -12.954 1.00 0.00 C ATOM 32 O LYS A 5 3.569 -6.364 -13.439 1.00 0.00 O ATOM 33 CB LYS A 5 5.925 -4.375 -12.347 1.00 0.00 C ATOM 34 CG LYS A 5 6.278 -5.839 -12.039 1.00 0.00 C ATOM 35 CD LYS A 5 7.377 -6.026 -10.986 1.00 0.00 C ATOM 36 CE LYS A 5 7.266 -7.436 -10.376 1.00 0.00 C ATOM 37 NZ LYS A 5 6.151 -7.546 -9.404 1.00 0.00 N ATOM 0 HA LYS A 5 5.159 -4.695 -14.333 1.00 0.00 H new ATOM 0 HB2 LYS A 5 6.800 -3.853 -12.734 1.00 0.00 H new ATOM 0 HB3 LYS A 5 5.626 -3.862 -11.433 1.00 0.00 H new ATOM 0 HG2 LYS A 5 5.378 -6.352 -11.700 1.00 0.00 H new ATOM 0 HG3 LYS A 5 6.593 -6.325 -12.963 1.00 0.00 H new ATOM 0 HD2 LYS A 5 8.358 -5.891 -11.441 1.00 0.00 H new ATOM 0 HD3 LYS A 5 7.280 -5.271 -10.205 1.00 0.00 H new ATOM 0 HE2 LYS A 5 7.121 -8.164 -11.174 1.00 0.00 H new ATOM 0 HE3 LYS A 5 8.203 -7.689 -9.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 5.965 -8.549 -9.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 6.409 -7.057 -8.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 5.297 -7.109 -9.805 1.00 0.00 H new ATOM 47 N TYR A 6 2.853 -4.749 -12.000 1.00 0.00 N ATOM 48 CA TYR A 6 1.835 -5.466 -11.240 1.00 0.00 C ATOM 49 C TYR A 6 2.471 -6.248 -10.097 1.00 0.00 C ATOM 50 O TYR A 6 3.634 -6.665 -10.153 1.00 0.00 O ATOM 51 CB TYR A 6 0.958 -6.381 -12.099 1.00 0.00 C ATOM 52 CG TYR A 6 0.121 -5.666 -13.148 1.00 0.00 C ATOM 53 CD1 TYR A 6 -1.102 -5.099 -12.770 1.00 0.00 C ATOM 54 CD2 TYR A 6 0.590 -5.474 -14.464 1.00 0.00 C ATOM 55 CE1 TYR A 6 -1.805 -4.267 -13.653 1.00 0.00 C ATOM 56 CE2 TYR A 6 -0.078 -4.579 -15.323 1.00 0.00 C ATOM 57 CZ TYR A 6 -1.235 -3.918 -14.882 1.00 0.00 C ATOM 58 OH TYR A 6 -1.679 -2.801 -15.517 1.00 0.00 O ATOM 0 H TYR A 6 2.912 -3.770 -11.720 1.00 0.00 H new ATOM 0 HA TYR A 6 1.169 -4.706 -10.832 1.00 0.00 H new ATOM 0 HB2 TYR A 6 1.598 -7.108 -12.599 1.00 0.00 H new ATOM 0 HB3 TYR A 6 0.291 -6.941 -11.443 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -1.507 -5.304 -11.790 1.00 0.00 H new ATOM 0 HD2 TYR A 6 1.459 -6.012 -14.813 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -2.784 -3.897 -13.385 1.00 0.00 H new ATOM 0 HE2 TYR A 6 0.300 -4.402 -16.319 1.00 0.00 H new ATOM 0 HH TYR A 6 -1.730 -2.060 -14.878 1.00 0.00 H new ATOM 67 N TYR A 7 1.696 -6.415 -9.030 1.00 0.00 N ATOM 68 CA TYR A 7 2.157 -7.154 -7.873 1.00 0.00 C ATOM 69 C TYR A 7 1.074 -8.110 -7.412 1.00 0.00 C ATOM 70 O TYR A 7 0.105 -7.713 -6.778 1.00 0.00 O ATOM 71 CB TYR A 7 2.620 -6.196 -6.779 1.00 0.00 C ATOM 72 CG TYR A 7 3.447 -5.045 -7.284 1.00 0.00 C ATOM 73 CD1 TYR A 7 2.828 -3.904 -7.818 1.00 0.00 C ATOM 74 CD2 TYR A 7 4.814 -5.246 -7.471 1.00 0.00 C ATOM 75 CE1 TYR A 7 3.581 -3.009 -8.593 1.00 0.00 C ATOM 76 CE2 TYR A 7 5.595 -4.271 -8.096 1.00 0.00 C ATOM 77 CZ TYR A 7 4.977 -3.145 -8.664 1.00 0.00 C ATOM 78 OH TYR A 7 5.708 -2.219 -9.341 1.00 0.00 O ATOM 0 H TYR A 7 0.748 -6.047 -8.948 1.00 0.00 H new ATOM 0 HA TYR A 7 3.025 -7.758 -8.137 1.00 0.00 H new ATOM 0 HB2 TYR A 7 1.746 -5.802 -6.261 1.00 0.00 H new ATOM 0 HB3 TYR A 7 3.201 -6.753 -6.044 1.00 0.00 H new ATOM 0 HD1 TYR A 7 1.780 -3.716 -7.634 1.00 0.00 H new ATOM 0 HD2 TYR A 7 5.272 -6.162 -7.130 1.00 0.00 H new ATOM 0 HE1 TYR A 7 3.087 -2.216 -9.135 1.00 0.00 H new ATOM 0 HE2 TYR A 7 6.668 -4.382 -8.142 1.00 0.00 H new ATOM 0 HH TYR A 7 5.181 -1.399 -9.446 1.00 0.00 H new ATOM 87 N THR A 8 1.265 -9.380 -7.744 1.00 0.00 N ATOM 88 CA THR A 8 0.457 -10.475 -7.230 1.00 0.00 C ATOM 89 C THR A 8 0.450 -10.387 -5.719 1.00 0.00 C ATOM 90 O THR A 8 1.508 -10.208 -5.116 1.00 0.00 O ATOM 91 CB THR A 8 1.067 -11.809 -7.667 1.00 0.00 C ATOM 92 OG1 THR A 8 2.454 -11.783 -7.405 1.00 0.00 O ATOM 93 CG2 THR A 8 0.858 -12.036 -9.161 1.00 0.00 C ATOM 0 H THR A 8 1.997 -9.682 -8.388 1.00 0.00 H new ATOM 0 HA THR A 8 -0.561 -10.410 -7.615 1.00 0.00 H new ATOM 0 HB THR A 8 0.582 -12.614 -7.115 1.00 0.00 H new ATOM 0 HG1 THR A 8 2.855 -12.634 -7.680 1.00 0.00 H new ATOM 0 HG21 THR A 8 1.300 -12.990 -9.449 1.00 0.00 H new ATOM 0 HG22 THR A 8 -0.209 -12.049 -9.381 1.00 0.00 H new ATOM 0 HG23 THR A 8 1.334 -11.232 -9.721 1.00 0.00 H new ATOM 101 N LEU A 9 -0.723 -10.531 -5.119 1.00 0.00 N ATOM 102 CA LEU A 9 -0.936 -10.573 -3.685 1.00 0.00 C ATOM 103 C LEU A 9 0.154 -11.378 -2.964 1.00 0.00 C ATOM 104 O LEU A 9 0.600 -10.971 -1.909 1.00 0.00 O ATOM 105 CB LEU A 9 -2.276 -11.243 -3.465 1.00 0.00 C ATOM 106 CG LEU A 9 -3.054 -10.798 -2.223 1.00 0.00 C ATOM 107 CD1 LEU A 9 -4.388 -11.551 -2.176 1.00 0.00 C ATOM 108 CD2 LEU A 9 -2.311 -11.001 -0.903 1.00 0.00 C ATOM 0 H LEU A 9 -1.591 -10.626 -5.646 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.906 -9.561 -3.282 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.898 -11.064 -4.342 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -2.116 -12.319 -3.402 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.199 -9.722 -2.321 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -4.950 -11.241 -1.295 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.965 -11.325 -3.073 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.199 -12.623 -2.127 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -2.935 -10.659 -0.078 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -2.084 -12.059 -0.772 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -1.383 -10.430 -0.916 1.00 0.00 H new ATOM 119 N GLU A 10 0.596 -12.511 -3.523 1.00 0.00 N ATOM 120 CA GLU A 10 1.773 -13.245 -3.047 1.00 0.00 C ATOM 121 C GLU A 10 2.961 -12.308 -2.760 1.00 0.00 C ATOM 122 O GLU A 10 3.519 -12.295 -1.662 1.00 0.00 O ATOM 123 CB GLU A 10 2.171 -14.335 -4.065 1.00 0.00 C ATOM 124 CG GLU A 10 3.664 -14.671 -3.881 1.00 0.00 C ATOM 125 CD GLU A 10 4.156 -16.000 -4.424 1.00 0.00 C ATOM 126 OE1 GLU A 10 3.351 -16.762 -4.991 1.00 0.00 O ATOM 127 OE2 GLU A 10 5.376 -16.197 -4.218 1.00 0.00 O ATOM 0 H GLU A 10 0.142 -12.947 -4.326 1.00 0.00 H new ATOM 0 HA GLU A 10 1.505 -13.721 -2.104 1.00 0.00 H new ATOM 0 HB2 GLU A 10 1.563 -15.228 -3.918 1.00 0.00 H new ATOM 0 HB3 GLU A 10 1.986 -13.987 -5.081 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.247 -13.879 -4.351 1.00 0.00 H new ATOM 0 HG3 GLU A 10 3.887 -14.641 -2.814 1.00 0.00 H new ATOM 132 N GLU A 11 3.358 -11.536 -3.772 1.00 0.00 N ATOM 133 CA GLU A 11 4.380 -10.507 -3.677 1.00 0.00 C ATOM 134 C GLU A 11 3.994 -9.561 -2.561 1.00 0.00 C ATOM 135 O GLU A 11 4.714 -9.438 -1.577 1.00 0.00 O ATOM 136 CB GLU A 11 4.579 -9.804 -5.046 1.00 0.00 C ATOM 137 CG GLU A 11 6.031 -9.391 -5.340 1.00 0.00 C ATOM 138 CD GLU A 11 6.194 -8.840 -6.757 1.00 0.00 C ATOM 139 OE1 GLU A 11 5.551 -9.365 -7.693 1.00 0.00 O ATOM 140 OE2 GLU A 11 6.938 -7.853 -6.950 1.00 0.00 O ATOM 0 H GLU A 11 2.961 -11.617 -4.708 1.00 0.00 H new ATOM 0 HA GLU A 11 5.350 -10.940 -3.432 1.00 0.00 H new ATOM 0 HB2 GLU A 11 4.236 -10.471 -5.837 1.00 0.00 H new ATOM 0 HB3 GLU A 11 3.947 -8.917 -5.081 1.00 0.00 H new ATOM 0 HG2 GLU A 11 6.346 -8.637 -4.619 1.00 0.00 H new ATOM 0 HG3 GLU A 11 6.687 -10.252 -5.208 1.00 0.00 H new ATOM 145 N ILE A 12 2.795 -8.995 -2.649 1.00 0.00 N ATOM 146 CA ILE A 12 2.311 -8.087 -1.622 1.00 0.00 C ATOM 147 C ILE A 12 2.441 -8.658 -0.205 1.00 0.00 C ATOM 148 O ILE A 12 2.918 -7.965 0.695 1.00 0.00 O ATOM 149 CB ILE A 12 0.899 -7.568 -1.942 1.00 0.00 C ATOM 150 CG1 ILE A 12 0.695 -7.211 -3.428 1.00 0.00 C ATOM 151 CG2 ILE A 12 0.629 -6.317 -1.108 1.00 0.00 C ATOM 152 CD1 ILE A 12 -0.702 -6.660 -3.701 1.00 0.00 C ATOM 0 H ILE A 12 2.144 -9.150 -3.419 1.00 0.00 H new ATOM 0 HA ILE A 12 2.970 -7.219 -1.635 1.00 0.00 H new ATOM 0 HB ILE A 12 0.208 -8.377 -1.704 1.00 0.00 H new ATOM 0 HG12 ILE A 12 1.440 -6.474 -3.729 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.860 -8.098 -4.039 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.370 -5.942 -1.328 1.00 0.00 H new ATOM 0 HG22 ILE A 12 0.699 -6.564 -0.049 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.366 -5.552 -1.351 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.799 -6.423 -4.760 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.448 -7.406 -3.427 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -0.859 -5.757 -3.111 1.00 0.00 H new ATOM 163 N GLN A 13 2.128 -9.940 -0.005 1.00 0.00 N ATOM 164 CA GLN A 13 2.248 -10.550 1.319 1.00 0.00 C ATOM 165 C GLN A 13 3.663 -10.513 1.889 1.00 0.00 C ATOM 166 O GLN A 13 3.848 -10.573 3.104 1.00 0.00 O ATOM 167 CB GLN A 13 1.790 -12.004 1.280 1.00 0.00 C ATOM 168 CG GLN A 13 0.271 -12.110 1.473 1.00 0.00 C ATOM 169 CD GLN A 13 -0.196 -11.725 2.875 1.00 0.00 C ATOM 170 OE1 GLN A 13 -0.162 -12.538 3.789 1.00 0.00 O ATOM 171 NE2 GLN A 13 -0.654 -10.496 3.077 1.00 0.00 N ATOM 0 H GLN A 13 1.793 -10.569 -0.735 1.00 0.00 H new ATOM 0 HA GLN A 13 1.611 -9.951 1.970 1.00 0.00 H new ATOM 0 HB2 GLN A 13 2.071 -12.452 0.327 1.00 0.00 H new ATOM 0 HB3 GLN A 13 2.299 -12.570 2.060 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -0.225 -11.468 0.745 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -0.043 -13.132 1.263 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -0.677 -9.827 2.307 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -0.983 -10.220 4.002 1.00 0.00 H new ATOM 178 N LYS A 14 4.666 -10.455 1.018 1.00 0.00 N ATOM 179 CA LYS A 14 6.053 -10.426 1.431 1.00 0.00 C ATOM 180 C LYS A 14 6.509 -9.003 1.828 1.00 0.00 C ATOM 181 O LYS A 14 7.571 -8.852 2.430 1.00 0.00 O ATOM 182 CB LYS A 14 6.889 -11.077 0.315 1.00 0.00 C ATOM 183 CG LYS A 14 6.854 -12.606 0.476 1.00 0.00 C ATOM 184 CD LYS A 14 7.459 -13.372 -0.715 1.00 0.00 C ATOM 185 CE LYS A 14 6.379 -13.743 -1.744 1.00 0.00 C ATOM 186 NZ LYS A 14 6.900 -14.621 -2.817 1.00 0.00 N ATOM 0 H LYS A 14 4.533 -10.427 0.007 1.00 0.00 H new ATOM 0 HA LYS A 14 6.198 -11.004 2.344 1.00 0.00 H new ATOM 0 HB2 LYS A 14 6.496 -10.794 -0.661 1.00 0.00 H new ATOM 0 HB3 LYS A 14 7.918 -10.719 0.360 1.00 0.00 H new ATOM 0 HG2 LYS A 14 7.394 -12.879 1.383 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.820 -12.924 0.613 1.00 0.00 H new ATOM 0 HD2 LYS A 14 8.225 -12.761 -1.192 1.00 0.00 H new ATOM 0 HD3 LYS A 14 7.950 -14.277 -0.357 1.00 0.00 H new ATOM 0 HE2 LYS A 14 5.554 -14.244 -1.237 1.00 0.00 H new ATOM 0 HE3 LYS A 14 5.975 -12.833 -2.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 6.145 -15.259 -3.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 7.226 -14.038 -3.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 7.695 -15.183 -2.451 1.00 0.00 H new ATOM 196 N HIS A 15 5.705 -7.966 1.538 1.00 0.00 N ATOM 197 CA HIS A 15 5.980 -6.565 1.885 1.00 0.00 C ATOM 198 C HIS A 15 5.038 -6.025 2.978 1.00 0.00 C ATOM 199 O HIS A 15 4.044 -5.358 2.699 1.00 0.00 O ATOM 200 CB HIS A 15 5.869 -5.695 0.635 1.00 0.00 C ATOM 201 CG HIS A 15 6.885 -6.000 -0.430 1.00 0.00 C ATOM 202 ND1 HIS A 15 8.030 -5.290 -0.687 1.00 0.00 N ATOM 203 CD2 HIS A 15 6.741 -6.914 -1.433 1.00 0.00 C ATOM 204 CE1 HIS A 15 8.601 -5.814 -1.784 1.00 0.00 C ATOM 205 NE2 HIS A 15 7.853 -6.815 -2.274 1.00 0.00 N ATOM 0 H HIS A 15 4.822 -8.085 1.042 1.00 0.00 H new ATOM 0 HA HIS A 15 6.993 -6.526 2.286 1.00 0.00 H new ATOM 0 HB2 HIS A 15 4.871 -5.814 0.212 1.00 0.00 H new ATOM 0 HB3 HIS A 15 5.969 -4.649 0.926 1.00 0.00 H new ATOM 0 HD2 HIS A 15 5.912 -7.595 -1.556 1.00 0.00 H new ATOM 0 HE1 HIS A 15 9.533 -5.477 -2.213 1.00 0.00 H new ATOM 0 HE2 HIS A 15 8.055 -7.387 -3.094 1.00 0.00 H new ATOM 212 N ASN A 16 5.386 -6.269 4.240 1.00 0.00 N ATOM 213 CA ASN A 16 4.647 -5.793 5.418 1.00 0.00 C ATOM 214 C ASN A 16 5.548 -5.623 6.651 1.00 0.00 C ATOM 215 O ASN A 16 5.101 -5.806 7.781 1.00 0.00 O ATOM 216 CB ASN A 16 3.490 -6.762 5.697 1.00 0.00 C ATOM 217 CG ASN A 16 3.949 -8.216 5.672 1.00 0.00 C ATOM 218 OD1 ASN A 16 5.099 -8.535 5.967 1.00 0.00 O ATOM 219 ND2 ASN A 16 3.067 -9.102 5.238 1.00 0.00 N ATOM 0 H ASN A 16 6.211 -6.817 4.483 1.00 0.00 H new ATOM 0 HA ASN A 16 4.253 -4.800 5.203 1.00 0.00 H new ATOM 0 HB2 ASN A 16 3.053 -6.536 6.670 1.00 0.00 H new ATOM 0 HB3 ASN A 16 2.706 -6.616 4.954 1.00 0.00 H new ATOM 0 HD21 ASN A 16 3.334 -10.082 5.140 1.00 0.00 H new ATOM 0 HD22 ASN A 16 2.120 -8.805 5.001 1.00 0.00 H new ATOM 225 N ASN A 17 6.825 -5.293 6.449 1.00 0.00 N ATOM 226 CA ASN A 17 7.809 -5.212 7.525 1.00 0.00 C ATOM 227 C ASN A 17 8.802 -4.064 7.262 1.00 0.00 C ATOM 228 O ASN A 17 8.655 -3.320 6.299 1.00 0.00 O ATOM 229 CB ASN A 17 8.463 -6.600 7.670 1.00 0.00 C ATOM 230 CG ASN A 17 7.716 -7.486 8.663 1.00 0.00 C ATOM 231 OD1 ASN A 17 8.012 -7.457 9.851 1.00 0.00 O ATOM 232 ND2 ASN A 17 6.773 -8.305 8.220 1.00 0.00 N ATOM 0 H ASN A 17 7.206 -5.074 5.528 1.00 0.00 H new ATOM 0 HA ASN A 17 7.345 -4.965 8.480 1.00 0.00 H new ATOM 0 HB2 ASN A 17 8.491 -7.090 6.697 1.00 0.00 H new ATOM 0 HB3 ASN A 17 9.496 -6.481 7.997 1.00 0.00 H new ATOM 0 HD21 ASN A 17 6.285 -8.920 8.871 1.00 0.00 H new ATOM 0 HD22 ASN A 17 6.535 -8.320 7.228 1.00 0.00 H new ATOM 238 N SER A 18 9.856 -3.940 8.076 1.00 0.00 N ATOM 239 CA SER A 18 10.892 -2.898 7.924 1.00 0.00 C ATOM 240 C SER A 18 11.521 -3.044 6.535 1.00 0.00 C ATOM 241 O SER A 18 11.843 -2.087 5.840 1.00 0.00 O ATOM 242 CB SER A 18 11.937 -3.035 9.038 1.00 0.00 C ATOM 243 OG SER A 18 11.293 -3.237 10.283 1.00 0.00 O ATOM 0 H SER A 18 10.020 -4.562 8.867 1.00 0.00 H new ATOM 0 HA SER A 18 10.455 -1.903 8.011 1.00 0.00 H new ATOM 0 HB2 SER A 18 12.602 -3.871 8.823 1.00 0.00 H new ATOM 0 HB3 SER A 18 12.555 -2.138 9.080 1.00 0.00 H new ATOM 0 HG SER A 18 11.967 -3.325 10.989 1.00 0.00 H new ATOM 248 N LYS A 19 11.636 -4.322 6.179 1.00 0.00 N ATOM 249 CA LYS A 19 11.849 -4.918 4.882 1.00 0.00 C ATOM 250 C LYS A 19 11.272 -4.069 3.732 1.00 0.00 C ATOM 251 O LYS A 19 11.958 -3.778 2.758 1.00 0.00 O ATOM 252 CB LYS A 19 11.028 -6.213 4.998 1.00 0.00 C ATOM 253 CG LYS A 19 11.641 -7.327 5.853 1.00 0.00 C ATOM 254 CD LYS A 19 12.797 -8.017 5.113 1.00 0.00 C ATOM 255 CE LYS A 19 13.363 -9.165 5.959 1.00 0.00 C ATOM 256 NZ LYS A 19 14.492 -9.834 5.276 1.00 0.00 N ATOM 0 H LYS A 19 11.572 -5.048 6.893 1.00 0.00 H new ATOM 0 HA LYS A 19 12.908 -5.040 4.653 1.00 0.00 H new ATOM 0 HB2 LYS A 19 10.050 -5.963 5.410 1.00 0.00 H new ATOM 0 HB3 LYS A 19 10.861 -6.604 3.994 1.00 0.00 H new ATOM 0 HG2 LYS A 19 12.003 -6.911 6.793 1.00 0.00 H new ATOM 0 HG3 LYS A 19 10.875 -8.061 6.103 1.00 0.00 H new ATOM 0 HD2 LYS A 19 12.446 -8.401 4.155 1.00 0.00 H new ATOM 0 HD3 LYS A 19 13.583 -7.293 4.898 1.00 0.00 H new ATOM 0 HE2 LYS A 19 13.696 -8.779 6.922 1.00 0.00 H new ATOM 0 HE3 LYS A 19 12.576 -9.892 6.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 14.852 -10.605 5.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 14.167 -10.223 4.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 15.252 -9.145 5.105 1.00 0.00 H new ATOM 266 N SER A 20 9.984 -3.733 3.859 1.00 0.00 N ATOM 267 CA SER A 20 9.159 -2.925 2.966 1.00 0.00 C ATOM 268 C SER A 20 7.680 -3.090 3.358 1.00 0.00 C ATOM 269 O SER A 20 7.288 -4.166 3.819 1.00 0.00 O ATOM 270 CB SER A 20 9.426 -3.221 1.483 1.00 0.00 C ATOM 271 OG SER A 20 8.313 -2.874 0.668 1.00 0.00 O ATOM 0 H SER A 20 9.447 -4.051 4.665 1.00 0.00 H new ATOM 0 HA SER A 20 9.432 -1.877 3.088 1.00 0.00 H new ATOM 0 HB2 SER A 20 10.305 -2.667 1.154 1.00 0.00 H new ATOM 0 HB3 SER A 20 9.652 -4.280 1.358 1.00 0.00 H new ATOM 0 HG SER A 20 7.901 -3.689 0.313 1.00 0.00 H new ATOM 276 N THR A 21 6.884 -2.022 3.224 1.00 0.00 N ATOM 277 CA THR A 21 5.498 -1.948 3.701 1.00 0.00 C ATOM 278 C THR A 21 4.541 -1.611 2.561 1.00 0.00 C ATOM 279 O THR A 21 4.377 -0.433 2.235 1.00 0.00 O ATOM 280 CB THR A 21 5.365 -0.903 4.825 1.00 0.00 C ATOM 281 OG1 THR A 21 6.294 -1.205 5.841 1.00 0.00 O ATOM 282 CG2 THR A 21 3.990 -0.965 5.485 1.00 0.00 C ATOM 0 H THR A 21 7.194 -1.163 2.769 1.00 0.00 H new ATOM 0 HA THR A 21 5.231 -2.928 4.096 1.00 0.00 H new ATOM 0 HB THR A 21 5.528 0.078 4.380 1.00 0.00 H new ATOM 0 HG1 THR A 21 5.881 -1.055 6.717 1.00 0.00 H new ATOM 0 HG21 THR A 21 3.931 -0.215 6.273 1.00 0.00 H new ATOM 0 HG22 THR A 21 3.219 -0.770 4.739 1.00 0.00 H new ATOM 0 HG23 THR A 21 3.837 -1.955 5.914 1.00 0.00 H new ATOM 290 N TRP A 22 3.899 -2.635 1.981 1.00 0.00 N ATOM 291 CA TRP A 22 2.933 -2.465 0.902 1.00 0.00 C ATOM 292 C TRP A 22 1.491 -2.470 1.343 1.00 0.00 C ATOM 293 O TRP A 22 1.138 -2.963 2.401 1.00 0.00 O ATOM 294 CB TRP A 22 3.129 -3.477 -0.228 1.00 0.00 C ATOM 295 CG TRP A 22 4.357 -3.380 -1.066 1.00 0.00 C ATOM 296 CD1 TRP A 22 5.413 -2.571 -0.868 1.00 0.00 C ATOM 297 CD2 TRP A 22 4.685 -4.176 -2.234 1.00 0.00 C ATOM 298 NE1 TRP A 22 6.333 -2.760 -1.876 1.00 0.00 N ATOM 299 CE2 TRP A 22 5.933 -3.744 -2.758 1.00 0.00 C ATOM 300 CE3 TRP A 22 4.038 -5.220 -2.913 1.00 0.00 C ATOM 301 CZ2 TRP A 22 6.462 -4.301 -3.933 1.00 0.00 C ATOM 302 CZ3 TRP A 22 4.680 -5.935 -3.928 1.00 0.00 C ATOM 303 CH2 TRP A 22 5.868 -5.444 -4.474 1.00 0.00 C ATOM 0 H TRP A 22 4.041 -3.608 2.254 1.00 0.00 H new ATOM 0 HA TRP A 22 3.145 -1.464 0.526 1.00 0.00 H new ATOM 0 HB2 TRP A 22 3.107 -4.474 0.213 1.00 0.00 H new ATOM 0 HB3 TRP A 22 2.268 -3.403 -0.892 1.00 0.00 H new ATOM 0 HD1 TRP A 22 5.523 -1.880 -0.046 1.00 0.00 H new ATOM 0 HE1 TRP A 22 7.204 -2.236 -1.960 1.00 0.00 H new ATOM 0 HE3 TRP A 22 3.023 -5.476 -2.646 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 7.318 -3.851 -4.413 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 4.260 -6.862 -4.288 1.00 0.00 H new ATOM 0 HH2 TRP A 22 6.327 -5.947 -5.313 1.00 0.00 H new ATOM 313 N LEU A 23 0.638 -1.901 0.507 1.00 0.00 N ATOM 314 CA LEU A 23 -0.766 -1.832 0.777 1.00 0.00 C ATOM 315 C LEU A 23 -1.542 -1.635 -0.510 1.00 0.00 C ATOM 316 O LEU A 23 -0.944 -1.266 -1.515 1.00 0.00 O ATOM 317 CB LEU A 23 -1.064 -0.734 1.798 1.00 0.00 C ATOM 318 CG LEU A 23 -0.081 0.313 2.315 1.00 0.00 C ATOM 319 CD1 LEU A 23 -0.341 1.646 1.604 1.00 0.00 C ATOM 320 CD2 LEU A 23 -0.331 0.487 3.830 1.00 0.00 C ATOM 0 H LEU A 23 0.913 -1.476 -0.378 1.00 0.00 H new ATOM 0 HA LEU A 23 -1.090 -2.777 1.214 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -1.901 -0.171 1.386 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.433 -1.251 2.684 1.00 0.00 H new ATOM 0 HG LEU A 23 0.946 0.001 2.128 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.359 2.397 1.971 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.206 1.518 0.530 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.361 1.973 1.805 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.358 1.231 4.229 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.357 0.818 3.994 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.171 -0.465 4.337 1.00 0.00 H new ATOM 331 N ILE A 24 -2.856 -1.880 -0.475 1.00 0.00 N ATOM 332 CA ILE A 24 -3.737 -1.611 -1.605 1.00 0.00 C ATOM 333 C ILE A 24 -4.758 -0.551 -1.213 1.00 0.00 C ATOM 334 O ILE A 24 -5.529 -0.766 -0.279 1.00 0.00 O ATOM 335 CB ILE A 24 -4.410 -2.888 -2.152 1.00 0.00 C ATOM 336 CG1 ILE A 24 -3.376 -3.929 -2.600 1.00 0.00 C ATOM 337 CG2 ILE A 24 -5.368 -2.564 -3.306 1.00 0.00 C ATOM 338 CD1 ILE A 24 -3.965 -5.340 -2.525 1.00 0.00 C ATOM 0 H ILE A 24 -3.333 -2.270 0.338 1.00 0.00 H new ATOM 0 HA ILE A 24 -3.130 -1.229 -2.425 1.00 0.00 H new ATOM 0 HB ILE A 24 -4.987 -3.316 -1.332 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -3.056 -3.716 -3.620 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -2.490 -3.865 -1.968 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -5.825 -3.485 -3.669 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -6.146 -1.887 -2.954 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.814 -2.090 -4.117 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.217 -6.064 -2.847 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -4.262 -5.556 -1.499 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -4.837 -5.406 -3.176 1.00 0.00 H new ATOM 349 N LEU A 25 -4.769 0.583 -1.921 1.00 0.00 N ATOM 350 CA LEU A 25 -5.784 1.621 -1.741 1.00 0.00 C ATOM 351 C LEU A 25 -6.492 1.745 -3.091 1.00 0.00 C ATOM 352 O LEU A 25 -6.000 2.421 -3.995 1.00 0.00 O ATOM 353 CB LEU A 25 -5.250 2.969 -1.188 1.00 0.00 C ATOM 354 CG LEU A 25 -4.018 2.928 -0.278 1.00 0.00 C ATOM 355 CD1 LEU A 25 -3.605 4.355 0.102 1.00 0.00 C ATOM 356 CD2 LEU A 25 -4.278 2.171 1.023 1.00 0.00 C ATOM 0 H LEU A 25 -4.074 0.805 -2.634 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.480 1.330 -0.955 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.018 3.612 -2.037 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -6.058 3.449 -0.636 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.236 2.416 -0.839 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.729 4.320 0.749 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.367 4.918 -0.801 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.425 4.843 0.628 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.374 2.172 1.631 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.085 2.657 1.572 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -4.562 1.143 0.796 1.00 0.00 H new ATOM 367 N HIS A 26 -7.612 1.034 -3.255 1.00 0.00 N ATOM 368 CA HIS A 26 -8.412 1.044 -4.478 1.00 0.00 C ATOM 369 C HIS A 26 -7.675 0.336 -5.642 1.00 0.00 C ATOM 370 O HIS A 26 -7.327 0.961 -6.642 1.00 0.00 O ATOM 371 CB HIS A 26 -8.840 2.494 -4.808 1.00 0.00 C ATOM 372 CG HIS A 26 -9.236 3.342 -3.613 1.00 0.00 C ATOM 373 ND1 HIS A 26 -10.491 3.422 -3.048 1.00 0.00 N ATOM 374 CD2 HIS A 26 -8.409 4.163 -2.884 1.00 0.00 C ATOM 375 CE1 HIS A 26 -10.413 4.262 -1.999 1.00 0.00 C ATOM 376 NE2 HIS A 26 -9.162 4.727 -1.854 1.00 0.00 N ATOM 0 H HIS A 26 -7.992 0.427 -2.529 1.00 0.00 H new ATOM 0 HA HIS A 26 -9.323 0.467 -4.322 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -8.019 2.988 -5.327 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -9.680 2.458 -5.502 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -7.361 4.340 -3.075 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -11.244 4.526 -1.361 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -8.828 5.367 -1.133 1.00 0.00 H new ATOM 383 N TYR A 27 -7.374 -0.966 -5.497 1.00 0.00 N ATOM 384 CA TYR A 27 -6.631 -1.820 -6.446 1.00 0.00 C ATOM 385 C TYR A 27 -5.152 -1.482 -6.653 1.00 0.00 C ATOM 386 O TYR A 27 -4.363 -2.366 -7.000 1.00 0.00 O ATOM 387 CB TYR A 27 -7.259 -1.871 -7.840 1.00 0.00 C ATOM 388 CG TYR A 27 -8.744 -2.168 -7.886 1.00 0.00 C ATOM 389 CD1 TYR A 27 -9.212 -3.412 -7.423 1.00 0.00 C ATOM 390 CD2 TYR A 27 -9.629 -1.286 -8.533 1.00 0.00 C ATOM 391 CE1 TYR A 27 -10.535 -3.810 -7.678 1.00 0.00 C ATOM 392 CE2 TYR A 27 -10.965 -1.669 -8.750 1.00 0.00 C ATOM 393 CZ TYR A 27 -11.411 -2.934 -8.337 1.00 0.00 C ATOM 394 OH TYR A 27 -12.686 -3.323 -8.604 1.00 0.00 O ATOM 0 H TYR A 27 -7.659 -1.483 -4.665 1.00 0.00 H new ATOM 0 HA TYR A 27 -6.697 -2.782 -5.938 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -7.084 -0.914 -8.331 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -6.738 -2.629 -8.425 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -8.552 -4.063 -6.870 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -9.283 -0.317 -8.862 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -10.877 -4.787 -7.368 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -11.649 -0.988 -9.235 1.00 0.00 H new ATOM 0 HH TYR A 27 -13.160 -2.598 -9.063 1.00 0.00 H new ATOM 403 N LYS A 28 -4.776 -0.211 -6.512 1.00 0.00 N ATOM 404 CA LYS A 28 -3.409 0.210 -6.731 1.00 0.00 C ATOM 405 C LYS A 28 -2.566 -0.282 -5.555 1.00 0.00 C ATOM 406 O LYS A 28 -3.097 -0.372 -4.457 1.00 0.00 O ATOM 407 CB LYS A 28 -3.368 1.721 -6.945 1.00 0.00 C ATOM 408 CG LYS A 28 -3.902 2.098 -8.333 1.00 0.00 C ATOM 409 CD LYS A 28 -2.853 1.975 -9.445 1.00 0.00 C ATOM 410 CE LYS A 28 -3.365 2.600 -10.748 1.00 0.00 C ATOM 411 NZ LYS A 28 -2.320 2.570 -11.793 1.00 0.00 N ATOM 0 H LYS A 28 -5.410 0.542 -6.245 1.00 0.00 H new ATOM 0 HA LYS A 28 -2.985 -0.227 -7.635 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -3.962 2.216 -6.177 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -2.344 2.079 -6.836 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -4.751 1.458 -8.573 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -4.272 3.123 -8.305 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.931 2.468 -9.137 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -2.613 0.925 -9.610 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -4.246 2.060 -11.094 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -3.673 3.629 -10.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -2.617 3.158 -12.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -1.429 2.940 -11.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -2.178 1.591 -12.113 1.00 0.00 H new ATOM 421 N VAL A 29 -1.297 -0.633 -5.767 1.00 0.00 N ATOM 422 CA VAL A 29 -0.373 -1.040 -4.710 1.00 0.00 C ATOM 423 C VAL A 29 0.532 0.139 -4.330 1.00 0.00 C ATOM 424 O VAL A 29 0.991 0.874 -5.207 1.00 0.00 O ATOM 425 CB VAL A 29 0.447 -2.258 -5.145 1.00 0.00 C ATOM 426 CG1 VAL A 29 1.459 -2.639 -4.069 1.00 0.00 C ATOM 427 CG2 VAL A 29 -0.437 -3.494 -5.253 1.00 0.00 C ATOM 0 H VAL A 29 -0.876 -0.642 -6.696 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.945 -1.332 -3.829 1.00 0.00 H new ATOM 0 HB VAL A 29 0.913 -1.984 -6.091 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.031 -3.507 -4.398 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.136 -1.803 -3.894 1.00 0.00 H new ATOM 0 HG13 VAL A 29 0.934 -2.880 -3.145 1.00 0.00 H new ATOM 0 HG21 VAL A 29 0.167 -4.347 -5.563 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -0.890 -3.703 -4.284 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.221 -3.317 -5.989 1.00 0.00 H new ATOM 437 N TYR A 30 0.787 0.313 -3.029 1.00 0.00 N ATOM 438 CA TYR A 30 1.396 1.453 -2.402 1.00 0.00 C ATOM 439 C TYR A 30 2.493 0.976 -1.448 1.00 0.00 C ATOM 440 O TYR A 30 2.155 0.211 -0.559 1.00 0.00 O ATOM 441 CB TYR A 30 0.223 2.026 -1.614 1.00 0.00 C ATOM 442 CG TYR A 30 -0.838 2.723 -2.431 1.00 0.00 C ATOM 443 CD1 TYR A 30 -1.845 1.931 -2.990 1.00 0.00 C ATOM 444 CD2 TYR A 30 -0.914 4.124 -2.537 1.00 0.00 C ATOM 445 CE1 TYR A 30 -2.905 2.521 -3.680 1.00 0.00 C ATOM 446 CE2 TYR A 30 -2.021 4.711 -3.187 1.00 0.00 C ATOM 447 CZ TYR A 30 -3.012 3.908 -3.761 1.00 0.00 C ATOM 448 OH TYR A 30 -4.130 4.461 -4.305 1.00 0.00 O ATOM 0 H TYR A 30 0.547 -0.407 -2.347 1.00 0.00 H new ATOM 0 HA TYR A 30 1.859 2.163 -3.087 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -0.247 1.215 -1.058 1.00 0.00 H new ATOM 0 HB3 TYR A 30 0.612 2.732 -0.880 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -1.803 0.857 -2.887 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -0.132 4.745 -2.125 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -3.648 1.898 -4.155 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -2.103 5.786 -3.241 1.00 0.00 H new ATOM 0 HH TYR A 30 -4.874 3.827 -4.238 1.00 0.00 H new ATOM 457 N ASP A 31 3.741 1.435 -1.604 1.00 0.00 N ATOM 458 CA ASP A 31 4.922 1.091 -0.777 1.00 0.00 C ATOM 459 C ASP A 31 5.368 2.321 0.019 1.00 0.00 C ATOM 460 O ASP A 31 5.818 3.307 -0.567 1.00 0.00 O ATOM 461 CB ASP A 31 6.126 0.586 -1.601 1.00 0.00 C ATOM 462 CG ASP A 31 7.313 0.146 -0.719 1.00 0.00 C ATOM 463 OD1 ASP A 31 7.560 0.785 0.329 1.00 0.00 O ATOM 464 OD2 ASP A 31 7.964 -0.866 -1.070 1.00 0.00 O ATOM 0 H ASP A 31 3.975 2.092 -2.348 1.00 0.00 H new ATOM 0 HA ASP A 31 4.607 0.279 -0.121 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.810 -0.253 -2.221 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.455 1.376 -2.277 1.00 0.00 H new ATOM 468 N LEU A 32 5.249 2.260 1.348 1.00 0.00 N ATOM 469 CA LEU A 32 5.368 3.457 2.187 1.00 0.00 C ATOM 470 C LEU A 32 6.477 3.408 3.228 1.00 0.00 C ATOM 471 O LEU A 32 6.493 4.231 4.141 1.00 0.00 O ATOM 472 CB LEU A 32 4.010 3.700 2.840 1.00 0.00 C ATOM 473 CG LEU A 32 2.889 3.388 1.849 1.00 0.00 C ATOM 474 CD1 LEU A 32 1.560 3.821 2.390 1.00 0.00 C ATOM 475 CD2 LEU A 32 2.940 4.166 0.549 1.00 0.00 C ATOM 0 H LEU A 32 5.071 1.399 1.865 1.00 0.00 H new ATOM 0 HA LEU A 32 5.659 4.284 1.539 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.907 3.075 3.727 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.936 4.736 3.170 1.00 0.00 H new ATOM 0 HG LEU A 32 3.016 2.318 1.688 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.779 3.588 1.666 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.358 3.295 3.323 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.575 4.895 2.575 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.103 3.872 -0.084 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.877 5.233 0.761 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.877 3.953 0.034 1.00 0.00 H new ATOM 486 N THR A 33 7.417 2.481 3.063 1.00 0.00 N ATOM 487 CA THR A 33 8.447 2.082 4.025 1.00 0.00 C ATOM 488 C THR A 33 9.223 3.198 4.737 1.00 0.00 C ATOM 489 O THR A 33 9.702 2.986 5.847 1.00 0.00 O ATOM 490 CB THR A 33 9.389 1.105 3.310 1.00 0.00 C ATOM 491 OG1 THR A 33 8.598 0.149 2.633 1.00 0.00 O ATOM 492 CG2 THR A 33 10.320 0.370 4.277 1.00 0.00 C ATOM 0 H THR A 33 7.486 1.951 2.194 1.00 0.00 H new ATOM 0 HA THR A 33 7.919 1.622 4.860 1.00 0.00 H new ATOM 0 HB THR A 33 10.014 1.679 2.626 1.00 0.00 H new ATOM 0 HG1 THR A 33 8.491 0.417 1.697 1.00 0.00 H new ATOM 0 HG21 THR A 33 10.964 -0.308 3.717 1.00 0.00 H new ATOM 0 HG22 THR A 33 10.934 1.094 4.813 1.00 0.00 H new ATOM 0 HG23 THR A 33 9.726 -0.201 4.991 1.00 0.00 H new ATOM 500 N LYS A 34 9.333 4.387 4.145 1.00 0.00 N ATOM 501 CA LYS A 34 9.875 5.561 4.834 1.00 0.00 C ATOM 502 C LYS A 34 8.842 6.602 5.189 1.00 0.00 C ATOM 503 O LYS A 34 9.037 7.385 6.105 1.00 0.00 O ATOM 504 CB LYS A 34 10.835 6.280 3.901 1.00 0.00 C ATOM 505 CG LYS A 34 11.990 5.372 3.513 1.00 0.00 C ATOM 506 CD LYS A 34 13.322 6.074 3.826 1.00 0.00 C ATOM 507 CE LYS A 34 13.579 5.981 5.344 1.00 0.00 C ATOM 508 NZ LYS A 34 14.262 7.167 5.902 1.00 0.00 N ATOM 0 H LYS A 34 9.051 4.565 3.181 1.00 0.00 H new ATOM 0 HA LYS A 34 10.329 5.172 5.746 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.305 6.605 3.006 1.00 0.00 H new ATOM 0 HB3 LYS A 34 11.219 7.177 4.387 1.00 0.00 H new ATOM 0 HG2 LYS A 34 11.926 4.431 4.059 1.00 0.00 H new ATOM 0 HG3 LYS A 34 11.935 5.129 2.452 1.00 0.00 H new ATOM 0 HD2 LYS A 34 14.136 5.604 3.274 1.00 0.00 H new ATOM 0 HD3 LYS A 34 13.284 7.117 3.511 1.00 0.00 H new ATOM 0 HE2 LYS A 34 12.627 5.845 5.858 1.00 0.00 H new ATOM 0 HE3 LYS A 34 14.181 5.096 5.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 14.569 6.965 6.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 15.091 7.397 5.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 13.607 7.975 5.906 1.00 0.00 H new ATOM 518 N PHE A 35 7.734 6.632 4.474 1.00 0.00 N ATOM 519 CA PHE A 35 6.644 7.494 4.919 1.00 0.00 C ATOM 520 C PHE A 35 6.232 7.144 6.351 1.00 0.00 C ATOM 521 O PHE A 35 5.890 8.024 7.132 1.00 0.00 O ATOM 522 CB PHE A 35 5.490 7.436 3.932 1.00 0.00 C ATOM 523 CG PHE A 35 4.387 8.439 4.186 1.00 0.00 C ATOM 524 CD1 PHE A 35 4.691 9.808 4.325 1.00 0.00 C ATOM 525 CD2 PHE A 35 3.046 8.025 4.126 1.00 0.00 C ATOM 526 CE1 PHE A 35 3.661 10.763 4.325 1.00 0.00 C ATOM 527 CE2 PHE A 35 2.019 8.979 4.152 1.00 0.00 C ATOM 528 CZ PHE A 35 2.323 10.351 4.208 1.00 0.00 C ATOM 0 H PHE A 35 7.562 6.099 3.621 1.00 0.00 H new ATOM 0 HA PHE A 35 6.984 8.529 4.942 1.00 0.00 H new ATOM 0 HB2 PHE A 35 5.882 7.594 2.927 1.00 0.00 H new ATOM 0 HB3 PHE A 35 5.062 6.434 3.953 1.00 0.00 H new ATOM 0 HD1 PHE A 35 5.718 10.124 4.432 1.00 0.00 H new ATOM 0 HD2 PHE A 35 2.807 6.974 4.060 1.00 0.00 H new ATOM 0 HE1 PHE A 35 3.897 11.813 4.415 1.00 0.00 H new ATOM 0 HE2 PHE A 35 0.988 8.658 4.129 1.00 0.00 H new ATOM 0 HZ PHE A 35 1.532 11.084 4.161 1.00 0.00 H new ATOM 537 N LEU A 36 6.379 5.865 6.709 1.00 0.00 N ATOM 538 CA LEU A 36 6.338 5.365 8.081 1.00 0.00 C ATOM 539 C LEU A 36 7.022 6.347 9.067 1.00 0.00 C ATOM 540 O LEU A 36 6.478 6.681 10.111 1.00 0.00 O ATOM 541 CB LEU A 36 7.058 4.000 8.133 1.00 0.00 C ATOM 542 CG LEU A 36 6.710 2.912 7.116 1.00 0.00 C ATOM 543 CD1 LEU A 36 7.388 1.587 7.515 1.00 0.00 C ATOM 544 CD2 LEU A 36 5.195 2.676 7.071 1.00 0.00 C ATOM 0 H LEU A 36 6.535 5.125 6.025 1.00 0.00 H new ATOM 0 HA LEU A 36 5.295 5.263 8.382 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.127 4.194 8.047 1.00 0.00 H new ATOM 0 HB3 LEU A 36 6.889 3.582 9.125 1.00 0.00 H new ATOM 0 HG LEU A 36 7.060 3.243 6.138 1.00 0.00 H new ATOM 0 HD11 LEU A 36 7.136 0.816 6.787 1.00 0.00 H new ATOM 0 HD12 LEU A 36 8.469 1.724 7.539 1.00 0.00 H new ATOM 0 HD13 LEU A 36 7.039 1.282 8.502 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.969 1.898 6.341 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.846 2.362 8.055 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.691 3.599 6.785 1.00 0.00 H new ATOM 555 N GLU A 37 8.212 6.830 8.693 1.00 0.00 N ATOM 556 CA GLU A 37 9.089 7.749 9.426 1.00 0.00 C ATOM 557 C GLU A 37 8.448 9.122 9.714 1.00 0.00 C ATOM 558 O GLU A 37 8.787 9.781 10.695 1.00 0.00 O ATOM 559 CB GLU A 37 10.337 7.935 8.536 1.00 0.00 C ATOM 560 CG GLU A 37 11.675 8.190 9.246 1.00 0.00 C ATOM 561 CD GLU A 37 12.829 8.123 8.248 1.00 0.00 C ATOM 562 OE1 GLU A 37 12.757 8.789 7.190 1.00 0.00 O ATOM 563 OE2 GLU A 37 13.761 7.311 8.446 1.00 0.00 O ATOM 0 H GLU A 37 8.620 6.566 7.796 1.00 0.00 H new ATOM 0 HA GLU A 37 9.315 7.326 10.405 1.00 0.00 H new ATOM 0 HB2 GLU A 37 10.447 7.044 7.918 1.00 0.00 H new ATOM 0 HB3 GLU A 37 10.149 8.770 7.861 1.00 0.00 H new ATOM 0 HG2 GLU A 37 11.658 9.168 9.727 1.00 0.00 H new ATOM 0 HG3 GLU A 37 11.823 7.450 10.033 1.00 0.00 H new ATOM 568 N GLU A 38 7.557 9.564 8.819 1.00 0.00 N ATOM 569 CA GLU A 38 7.012 10.918 8.740 1.00 0.00 C ATOM 570 C GLU A 38 5.522 11.002 9.120 1.00 0.00 C ATOM 571 O GLU A 38 5.103 11.874 9.881 1.00 0.00 O ATOM 572 CB GLU A 38 7.261 11.373 7.292 1.00 0.00 C ATOM 573 CG GLU A 38 6.552 12.681 6.914 1.00 0.00 C ATOM 574 CD GLU A 38 6.950 13.158 5.523 1.00 0.00 C ATOM 575 OE1 GLU A 38 6.414 12.577 4.555 1.00 0.00 O ATOM 576 OE2 GLU A 38 7.785 14.085 5.456 1.00 0.00 O ATOM 0 H GLU A 38 7.179 8.953 8.095 1.00 0.00 H new ATOM 0 HA GLU A 38 7.501 11.569 9.464 1.00 0.00 H new ATOM 0 HB2 GLU A 38 8.333 11.497 7.141 1.00 0.00 H new ATOM 0 HB3 GLU A 38 6.933 10.585 6.614 1.00 0.00 H new ATOM 0 HG2 GLU A 38 5.473 12.534 6.953 1.00 0.00 H new ATOM 0 HG3 GLU A 38 6.795 13.451 7.646 1.00 0.00 H new ATOM 581 N HIS A 39 4.705 10.119 8.550 1.00 0.00 N ATOM 582 CA HIS A 39 3.249 10.177 8.596 1.00 0.00 C ATOM 583 C HIS A 39 2.649 10.065 10.017 1.00 0.00 C ATOM 584 O HIS A 39 3.055 9.205 10.802 1.00 0.00 O ATOM 585 CB HIS A 39 2.755 9.070 7.663 1.00 0.00 C ATOM 586 CG HIS A 39 1.278 8.803 7.678 1.00 0.00 C ATOM 587 ND1 HIS A 39 0.710 7.762 8.356 1.00 0.00 N ATOM 588 CD2 HIS A 39 0.304 9.381 6.907 1.00 0.00 C ATOM 589 CE1 HIS A 39 -0.585 7.716 8.016 1.00 0.00 C ATOM 590 NE2 HIS A 39 -0.886 8.676 7.124 1.00 0.00 N ATOM 0 H HIS A 39 5.052 9.316 8.026 1.00 0.00 H new ATOM 0 HA HIS A 39 2.910 11.160 8.270 1.00 0.00 H new ATOM 0 HB2 HIS A 39 3.047 9.324 6.644 1.00 0.00 H new ATOM 0 HB3 HIS A 39 3.273 8.147 7.922 1.00 0.00 H new ATOM 0 HD2 HIS A 39 0.431 10.228 6.250 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -1.294 7.002 8.407 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -1.794 8.854 6.694 1.00 0.00 H new ATOM 597 N PRO A 40 1.627 10.880 10.349 1.00 0.00 N ATOM 598 CA PRO A 40 1.013 10.931 11.679 1.00 0.00 C ATOM 599 C PRO A 40 0.451 9.588 12.165 1.00 0.00 C ATOM 600 O PRO A 40 0.335 9.370 13.368 1.00 0.00 O ATOM 601 CB PRO A 40 -0.066 12.020 11.600 1.00 0.00 C ATOM 602 CG PRO A 40 -0.382 12.100 10.110 1.00 0.00 C ATOM 603 CD PRO A 40 0.977 11.841 9.473 1.00 0.00 C ATOM 0 HA PRO A 40 1.771 11.164 12.427 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -0.948 11.755 12.184 1.00 0.00 H new ATOM 0 HB3 PRO A 40 0.296 12.973 11.985 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -1.120 11.355 9.811 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -0.782 13.075 9.831 1.00 0.00 H new ATOM 0 HD2 PRO A 40 0.870 11.445 8.463 1.00 0.00 H new ATOM 0 HD3 PRO A 40 1.558 12.760 9.395 1.00 0.00 H new ATOM 608 N GLY A 41 0.151 8.658 11.252 1.00 0.00 N ATOM 609 CA GLY A 41 -0.175 7.270 11.590 1.00 0.00 C ATOM 610 C GLY A 41 0.969 6.482 12.265 1.00 0.00 C ATOM 611 O GLY A 41 0.818 5.286 12.510 1.00 0.00 O ATOM 0 H GLY A 41 0.128 8.850 10.250 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.040 7.266 12.253 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -0.469 6.748 10.679 1.00 0.00 H new ATOM 615 N GLY A 42 2.133 7.096 12.526 1.00 0.00 N ATOM 616 CA GLY A 42 3.191 6.522 13.362 1.00 0.00 C ATOM 617 C GLY A 42 4.130 5.581 12.604 1.00 0.00 C ATOM 618 O GLY A 42 5.341 5.770 12.642 1.00 0.00 O ATOM 0 H GLY A 42 2.366 8.017 12.156 1.00 0.00 H new ATOM 0 HA2 GLY A 42 3.776 7.331 13.799 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.734 5.977 14.188 1.00 0.00 H new ATOM 622 N GLU A 43 3.529 4.592 11.932 1.00 0.00 N ATOM 623 CA GLU A 43 4.101 3.508 11.125 1.00 0.00 C ATOM 624 C GLU A 43 3.328 2.220 11.411 1.00 0.00 C ATOM 625 O GLU A 43 2.814 1.568 10.496 1.00 0.00 O ATOM 626 CB GLU A 43 5.635 3.357 11.261 1.00 0.00 C ATOM 627 CG GLU A 43 6.204 2.016 10.771 1.00 0.00 C ATOM 628 CD GLU A 43 6.132 0.857 11.742 1.00 0.00 C ATOM 629 OE1 GLU A 43 6.920 0.778 12.705 1.00 0.00 O ATOM 630 OE2 GLU A 43 5.343 -0.061 11.463 1.00 0.00 O ATOM 0 H GLU A 43 2.511 4.525 11.942 1.00 0.00 H new ATOM 0 HA GLU A 43 3.978 3.765 10.073 1.00 0.00 H new ATOM 0 HB2 GLU A 43 6.115 4.162 10.705 1.00 0.00 H new ATOM 0 HB3 GLU A 43 5.906 3.488 12.309 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.674 1.733 9.861 1.00 0.00 H new ATOM 0 HG3 GLU A 43 7.248 2.168 10.498 1.00 0.00 H new ATOM 635 N GLU A 44 3.155 1.904 12.694 1.00 0.00 N ATOM 636 CA GLU A 44 2.641 0.629 13.146 1.00 0.00 C ATOM 637 C GLU A 44 1.262 0.391 12.565 1.00 0.00 C ATOM 638 O GLU A 44 0.961 -0.695 12.098 1.00 0.00 O ATOM 639 CB GLU A 44 2.584 0.544 14.672 1.00 0.00 C ATOM 640 CG GLU A 44 3.898 0.957 15.364 1.00 0.00 C ATOM 641 CD GLU A 44 3.929 2.427 15.786 1.00 0.00 C ATOM 642 OE1 GLU A 44 3.568 3.277 14.941 1.00 0.00 O ATOM 643 OE2 GLU A 44 4.294 2.665 16.956 1.00 0.00 O ATOM 0 H GLU A 44 3.375 2.545 13.456 1.00 0.00 H new ATOM 0 HA GLU A 44 3.326 -0.144 12.797 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.777 1.182 15.033 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.336 -0.477 14.961 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.048 0.331 16.244 1.00 0.00 H new ATOM 0 HG3 GLU A 44 4.732 0.763 14.689 1.00 0.00 H new ATOM 648 N HIS A 45 0.439 1.435 12.558 1.00 0.00 N ATOM 649 CA HIS A 45 -0.916 1.396 12.041 1.00 0.00 C ATOM 650 C HIS A 45 -0.997 1.236 10.517 1.00 0.00 C ATOM 651 O HIS A 45 -1.980 0.721 9.991 1.00 0.00 O ATOM 652 CB HIS A 45 -1.600 2.670 12.525 1.00 0.00 C ATOM 653 CG HIS A 45 -3.039 2.792 12.093 1.00 0.00 C ATOM 654 ND1 HIS A 45 -3.996 1.804 12.150 1.00 0.00 N ATOM 655 CD2 HIS A 45 -3.625 3.906 11.557 1.00 0.00 C ATOM 656 CE1 HIS A 45 -5.138 2.325 11.673 1.00 0.00 C ATOM 657 NE2 HIS A 45 -4.966 3.605 11.298 1.00 0.00 N ATOM 0 H HIS A 45 0.706 2.350 12.921 1.00 0.00 H new ATOM 0 HA HIS A 45 -1.423 0.507 12.416 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -1.553 2.705 13.613 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -1.045 3.532 12.154 1.00 0.00 H new ATOM 0 HD1 HIS A 45 -3.862 0.852 12.491 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -3.138 4.851 11.367 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -6.072 1.787 11.600 1.00 0.00 H new ATOM 664 N LEU A 46 0.051 1.630 9.793 1.00 0.00 N ATOM 665 CA LEU A 46 0.138 1.331 8.370 1.00 0.00 C ATOM 666 C LEU A 46 0.608 -0.105 8.195 1.00 0.00 C ATOM 667 O LEU A 46 0.126 -0.825 7.327 1.00 0.00 O ATOM 668 CB LEU A 46 1.076 2.311 7.650 1.00 0.00 C ATOM 669 CG LEU A 46 0.567 3.754 7.771 1.00 0.00 C ATOM 670 CD1 LEU A 46 1.219 4.475 8.956 1.00 0.00 C ATOM 671 CD2 LEU A 46 0.841 4.526 6.476 1.00 0.00 C ATOM 0 H LEU A 46 0.843 2.152 10.167 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.848 1.446 7.920 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.077 2.239 8.074 1.00 0.00 H new ATOM 0 HB3 LEU A 46 1.155 2.037 6.598 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.508 3.715 7.944 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.838 5.495 9.016 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.983 3.945 9.879 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.300 4.499 8.817 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.474 5.548 6.577 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.914 4.543 6.282 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.330 4.038 5.646 1.00 0.00 H new ATOM 682 N ARG A 47 1.535 -0.536 9.049 1.00 0.00 N ATOM 683 CA ARG A 47 2.157 -1.849 8.929 1.00 0.00 C ATOM 684 C ARG A 47 1.160 -2.959 9.274 1.00 0.00 C ATOM 685 O ARG A 47 1.066 -3.980 8.603 1.00 0.00 O ATOM 686 CB ARG A 47 3.387 -1.859 9.824 1.00 0.00 C ATOM 687 CG ARG A 47 4.328 -3.026 9.491 1.00 0.00 C ATOM 688 CD ARG A 47 4.921 -3.661 10.751 1.00 0.00 C ATOM 689 NE ARG A 47 5.556 -2.646 11.609 1.00 0.00 N ATOM 690 CZ ARG A 47 5.986 -2.779 12.867 1.00 0.00 C ATOM 691 NH1 ARG A 47 5.981 -3.970 13.450 1.00 0.00 N ATOM 692 NH2 ARG A 47 6.421 -1.730 13.552 1.00 0.00 N ATOM 0 H ARG A 47 1.873 0.014 9.839 1.00 0.00 H new ATOM 0 HA ARG A 47 2.466 -2.043 7.902 1.00 0.00 H new ATOM 0 HB2 ARG A 47 3.924 -0.917 9.714 1.00 0.00 H new ATOM 0 HB3 ARG A 47 3.077 -1.929 10.867 1.00 0.00 H new ATOM 0 HG2 ARG A 47 3.782 -3.782 8.926 1.00 0.00 H new ATOM 0 HG3 ARG A 47 5.135 -2.670 8.850 1.00 0.00 H new ATOM 0 HD2 ARG A 47 4.136 -4.173 11.308 1.00 0.00 H new ATOM 0 HD3 ARG A 47 5.656 -4.415 10.470 1.00 0.00 H new ATOM 0 HE ARG A 47 5.684 -1.725 11.190 1.00 0.00 H new ATOM 0 HH11 ARG A 47 5.648 -4.787 12.938 1.00 0.00 H new ATOM 0 HH12 ARG A 47 6.310 -4.069 14.410 1.00 0.00 H new ATOM 0 HH21 ARG A 47 6.430 -0.806 13.119 1.00 0.00 H new ATOM 0 HH22 ARG A 47 6.746 -1.847 14.512 1.00 0.00 H new ATOM 703 N GLU A 48 0.395 -2.689 10.323 1.00 0.00 N ATOM 704 CA GLU A 48 -0.804 -3.400 10.758 1.00 0.00 C ATOM 705 C GLU A 48 -1.725 -3.741 9.571 1.00 0.00 C ATOM 706 O GLU A 48 -2.117 -4.893 9.396 1.00 0.00 O ATOM 707 CB GLU A 48 -1.496 -2.472 11.763 1.00 0.00 C ATOM 708 CG GLU A 48 -2.889 -2.910 12.244 1.00 0.00 C ATOM 709 CD GLU A 48 -3.905 -1.788 12.059 1.00 0.00 C ATOM 710 OE1 GLU A 48 -3.821 -0.808 12.832 1.00 0.00 O ATOM 711 OE2 GLU A 48 -4.715 -1.910 11.118 1.00 0.00 O ATOM 0 H GLU A 48 0.612 -1.907 10.941 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.553 -4.358 11.212 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -0.850 -2.368 12.635 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.584 -1.484 11.312 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.209 -3.792 11.689 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.843 -3.195 13.295 1.00 0.00 H new ATOM 716 N GLN A 49 -2.044 -2.741 8.743 1.00 0.00 N ATOM 717 CA GLN A 49 -2.831 -2.945 7.526 1.00 0.00 C ATOM 718 C GLN A 49 -2.021 -3.643 6.425 1.00 0.00 C ATOM 719 O GLN A 49 -2.554 -4.434 5.653 1.00 0.00 O ATOM 720 CB GLN A 49 -3.274 -1.595 6.948 1.00 0.00 C ATOM 721 CG GLN A 49 -4.414 -0.852 7.645 1.00 0.00 C ATOM 722 CD GLN A 49 -5.706 -1.657 7.676 1.00 0.00 C ATOM 723 OE1 GLN A 49 -6.414 -1.745 6.682 1.00 0.00 O ATOM 724 NE2 GLN A 49 -6.052 -2.244 8.810 1.00 0.00 N ATOM 0 H GLN A 49 -1.765 -1.772 8.898 1.00 0.00 H new ATOM 0 HA GLN A 49 -3.681 -3.563 7.814 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -2.405 -0.937 6.936 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -3.567 -1.756 5.910 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -4.116 -0.612 8.665 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -4.592 0.094 7.134 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -5.452 -2.162 9.631 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -6.919 -2.779 8.864 1.00 0.00 H new ATOM 731 N ALA A 50 -0.751 -3.255 6.297 1.00 0.00 N ATOM 732 CA ALA A 50 0.110 -3.599 5.176 1.00 0.00 C ATOM 733 C ALA A 50 0.228 -5.096 4.855 1.00 0.00 C ATOM 734 O ALA A 50 -0.100 -5.989 5.634 1.00 0.00 O ATOM 735 CB ALA A 50 1.506 -3.034 5.436 1.00 0.00 C ATOM 0 H ALA A 50 -0.284 -2.675 6.994 1.00 0.00 H new ATOM 0 HA ALA A 50 -0.367 -3.158 4.301 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.161 -3.285 4.602 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.447 -1.950 5.537 1.00 0.00 H new ATOM 0 HB3 ALA A 50 1.907 -3.463 6.354 1.00 0.00 H new ATOM 741 N GLY A 51 0.758 -5.351 3.662 1.00 0.00 N ATOM 742 CA GLY A 51 0.800 -6.661 3.020 1.00 0.00 C ATOM 743 C GLY A 51 -0.408 -6.900 2.110 1.00 0.00 C ATOM 744 O GLY A 51 -0.681 -8.035 1.713 1.00 0.00 O ATOM 0 H GLY A 51 1.187 -4.621 3.093 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.716 -6.748 2.435 1.00 0.00 H new ATOM 0 HA3 GLY A 51 0.836 -7.437 3.785 1.00 0.00 H new ATOM 748 N GLY A 52 -1.091 -5.807 1.750 1.00 0.00 N ATOM 749 CA GLY A 52 -2.196 -5.751 0.806 1.00 0.00 C ATOM 750 C GLY A 52 -3.512 -5.353 1.469 1.00 0.00 C ATOM 751 O GLY A 52 -3.913 -5.934 2.472 1.00 0.00 O ATOM 0 H GLY A 52 -0.869 -4.889 2.136 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.960 -5.037 0.017 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.313 -6.725 0.330 1.00 0.00 H new ATOM 755 N ASP A 53 -4.162 -4.359 0.866 1.00 0.00 N ATOM 756 CA ASP A 53 -5.418 -3.764 1.293 1.00 0.00 C ATOM 757 C ASP A 53 -5.342 -2.935 2.586 1.00 0.00 C ATOM 758 O ASP A 53 -5.133 -3.429 3.689 1.00 0.00 O ATOM 759 CB ASP A 53 -6.595 -4.737 1.224 1.00 0.00 C ATOM 760 CG ASP A 53 -7.933 -4.000 1.322 1.00 0.00 C ATOM 761 OD1 ASP A 53 -7.916 -2.744 1.349 1.00 0.00 O ATOM 762 OD2 ASP A 53 -8.959 -4.707 1.334 1.00 0.00 O ATOM 0 H ASP A 53 -3.801 -3.925 0.017 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.633 -3.005 0.541 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -6.553 -5.296 0.289 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.517 -5.463 2.033 1.00 0.00 H new ATOM 766 N ALA A 54 -5.519 -1.631 2.397 1.00 0.00 N ATOM 767 CA ALA A 54 -5.754 -0.647 3.437 1.00 0.00 C ATOM 768 C ALA A 54 -6.772 0.360 2.903 1.00 0.00 C ATOM 769 O ALA A 54 -6.804 1.512 3.322 1.00 0.00 O ATOM 770 CB ALA A 54 -4.414 -0.027 3.825 1.00 0.00 C ATOM 0 H ALA A 54 -5.501 -1.216 1.466 1.00 0.00 H new ATOM 0 HA ALA A 54 -6.172 -1.080 4.346 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -4.570 0.716 4.607 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -3.746 -0.806 4.193 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -3.968 0.452 2.953 1.00 0.00 H new ATOM 776 N THR A 55 -7.613 -0.090 1.965 1.00 0.00 N ATOM 777 CA THR A 55 -8.539 0.746 1.222 1.00 0.00 C ATOM 778 C THR A 55 -9.628 1.238 2.166 1.00 0.00 C ATOM 779 O THR A 55 -9.876 2.439 2.285 1.00 0.00 O ATOM 780 CB THR A 55 -9.118 -0.084 0.064 1.00 0.00 C ATOM 781 OG1 THR A 55 -8.127 -0.417 -0.883 1.00 0.00 O ATOM 782 CG2 THR A 55 -10.193 0.692 -0.693 1.00 0.00 C ATOM 0 H THR A 55 -7.663 -1.074 1.701 1.00 0.00 H new ATOM 0 HA THR A 55 -8.039 1.620 0.805 1.00 0.00 H new ATOM 0 HB THR A 55 -9.533 -0.982 0.522 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.315 -0.708 -0.418 1.00 0.00 H new ATOM 0 HG21 THR A 55 -10.582 0.077 -1.505 1.00 0.00 H new ATOM 0 HG22 THR A 55 -11.004 0.949 -0.012 1.00 0.00 H new ATOM 0 HG23 THR A 55 -9.762 1.605 -1.104 1.00 0.00 H new ATOM 790 N GLU A 56 -10.241 0.291 2.879 1.00 0.00 N ATOM 791 CA GLU A 56 -11.266 0.588 3.861 1.00 0.00 C ATOM 792 C GLU A 56 -10.707 1.466 4.985 1.00 0.00 C ATOM 793 O GLU A 56 -11.258 2.528 5.260 1.00 0.00 O ATOM 794 CB GLU A 56 -11.877 -0.729 4.357 1.00 0.00 C ATOM 795 CG GLU A 56 -13.092 -0.479 5.263 1.00 0.00 C ATOM 796 CD GLU A 56 -13.825 -1.770 5.603 1.00 0.00 C ATOM 797 OE1 GLU A 56 -13.390 -2.430 6.569 1.00 0.00 O ATOM 798 OE2 GLU A 56 -14.797 -2.075 4.879 1.00 0.00 O ATOM 0 H GLU A 56 -10.035 -0.704 2.786 1.00 0.00 H new ATOM 0 HA GLU A 56 -12.068 1.172 3.409 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -12.177 -1.337 3.503 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -11.125 -1.297 4.904 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -12.765 0.005 6.183 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -13.778 0.208 4.768 1.00 0.00 H new ATOM 803 N ASN A 57 -9.569 1.089 5.585 1.00 0.00 N ATOM 804 CA ASN A 57 -9.000 1.892 6.667 1.00 0.00 C ATOM 805 C ASN A 57 -8.625 3.293 6.165 1.00 0.00 C ATOM 806 O ASN A 57 -8.825 4.275 6.877 1.00 0.00 O ATOM 807 CB ASN A 57 -7.787 1.207 7.314 1.00 0.00 C ATOM 808 CG ASN A 57 -7.548 1.658 8.756 1.00 0.00 C ATOM 809 OD1 ASN A 57 -7.172 0.853 9.593 1.00 0.00 O ATOM 810 ND2 ASN A 57 -7.723 2.932 9.086 1.00 0.00 N ATOM 0 H ASN A 57 -9.038 0.252 5.344 1.00 0.00 H new ATOM 0 HA ASN A 57 -9.767 1.990 7.435 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -7.933 0.127 7.296 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -6.897 1.418 6.720 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -7.543 3.241 10.041 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -8.037 3.602 8.384 1.00 0.00 H new ATOM 816 N PHE A 58 -8.062 3.393 4.957 1.00 0.00 N ATOM 817 CA PHE A 58 -7.752 4.685 4.353 1.00 0.00 C ATOM 818 C PHE A 58 -8.999 5.568 4.193 1.00 0.00 C ATOM 819 O PHE A 58 -8.982 6.709 4.644 1.00 0.00 O ATOM 820 CB PHE A 58 -7.036 4.469 3.017 1.00 0.00 C ATOM 821 CG PHE A 58 -6.697 5.740 2.265 1.00 0.00 C ATOM 822 CD1 PHE A 58 -5.594 6.518 2.659 1.00 0.00 C ATOM 823 CD2 PHE A 58 -7.449 6.112 1.134 1.00 0.00 C ATOM 824 CE1 PHE A 58 -5.196 7.622 1.884 1.00 0.00 C ATOM 825 CE2 PHE A 58 -7.071 7.236 0.378 1.00 0.00 C ATOM 826 CZ PHE A 58 -5.937 7.983 0.745 1.00 0.00 C ATOM 0 H PHE A 58 -7.812 2.590 4.380 1.00 0.00 H new ATOM 0 HA PHE A 58 -7.086 5.225 5.026 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -6.115 3.915 3.200 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -7.663 3.844 2.382 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -5.051 6.267 3.559 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -8.315 5.535 0.847 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -4.322 8.192 2.163 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -7.652 7.526 -0.485 1.00 0.00 H new ATOM 0 HZ PHE A 58 -5.636 8.834 0.152 1.00 0.00 H new ATOM 835 N GLU A 59 -10.058 5.052 3.553 1.00 0.00 N ATOM 836 CA GLU A 59 -11.258 5.790 3.181 1.00 0.00 C ATOM 837 C GLU A 59 -12.205 6.027 4.376 1.00 0.00 C ATOM 838 O GLU A 59 -12.939 7.013 4.396 1.00 0.00 O ATOM 839 CB GLU A 59 -11.914 5.116 1.966 1.00 0.00 C ATOM 840 CG GLU A 59 -12.780 6.093 1.143 1.00 0.00 C ATOM 841 CD GLU A 59 -11.994 7.238 0.505 1.00 0.00 C ATOM 842 OE1 GLU A 59 -11.393 7.037 -0.572 1.00 0.00 O ATOM 843 OE2 GLU A 59 -11.978 8.342 1.086 1.00 0.00 O ATOM 0 H GLU A 59 -10.097 4.072 3.273 1.00 0.00 H new ATOM 0 HA GLU A 59 -10.981 6.799 2.876 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -11.139 4.695 1.326 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -12.533 4.285 2.306 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -13.291 5.536 0.358 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -13.551 6.512 1.790 1.00 0.00 H new ATOM 848 N ASP A 60 -12.158 5.167 5.402 1.00 0.00 N ATOM 849 CA ASP A 60 -12.816 5.396 6.688 1.00 0.00 C ATOM 850 C ASP A 60 -12.412 6.776 7.235 1.00 0.00 C ATOM 851 O ASP A 60 -13.226 7.697 7.300 1.00 0.00 O ATOM 852 CB ASP A 60 -12.436 4.243 7.622 1.00 0.00 C ATOM 853 CG ASP A 60 -13.068 4.412 8.992 1.00 0.00 C ATOM 854 OD1 ASP A 60 -14.246 4.020 9.129 1.00 0.00 O ATOM 855 OD2 ASP A 60 -12.362 4.954 9.868 1.00 0.00 O ATOM 0 H ASP A 60 -11.654 4.281 5.358 1.00 0.00 H new ATOM 0 HA ASP A 60 -13.902 5.410 6.591 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -12.757 3.297 7.185 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -11.352 4.196 7.723 1.00 0.00 H new ATOM 859 N VAL A 61 -11.117 6.962 7.510 1.00 0.00 N ATOM 860 CA VAL A 61 -10.544 8.284 7.763 1.00 0.00 C ATOM 861 C VAL A 61 -10.153 8.915 6.413 1.00 0.00 C ATOM 862 O VAL A 61 -9.036 9.399 6.239 1.00 0.00 O ATOM 863 CB VAL A 61 -9.366 8.196 8.757 1.00 0.00 C ATOM 864 CG1 VAL A 61 -9.880 7.875 10.165 1.00 0.00 C ATOM 865 CG2 VAL A 61 -8.309 7.154 8.365 1.00 0.00 C ATOM 0 H VAL A 61 -10.440 6.201 7.563 1.00 0.00 H new ATOM 0 HA VAL A 61 -11.279 8.932 8.240 1.00 0.00 H new ATOM 0 HB VAL A 61 -8.884 9.173 8.734 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -9.038 7.816 10.855 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -10.562 8.660 10.491 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -10.406 6.920 10.152 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -7.512 7.147 9.108 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -8.770 6.167 8.319 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -7.894 7.406 7.389 1.00 0.00 H new ATOM 875 N GLY A 62 -11.077 8.893 5.444 1.00 0.00 N ATOM 876 CA GLY A 62 -10.822 9.221 4.045 1.00 0.00 C ATOM 877 C GLY A 62 -10.143 10.574 3.834 1.00 0.00 C ATOM 878 O GLY A 62 -10.732 11.639 4.005 1.00 0.00 O ATOM 0 H GLY A 62 -12.049 8.639 5.622 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -10.198 8.441 3.608 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -11.768 9.213 3.503 1.00 0.00 H new ATOM 882 N HIS A 63 -8.873 10.498 3.436 1.00 0.00 N ATOM 883 CA HIS A 63 -7.923 11.596 3.393 1.00 0.00 C ATOM 884 CB HIS A 63 -6.568 10.987 3.048 1.00 0.00 C ATOM 885 CG HIS A 63 -5.960 10.076 4.081 1.00 0.00 C ATOM 886 ND1 HIS A 63 -6.570 9.277 5.027 1.00 0.00 N ATOM 887 CD2 HIS A 63 -4.623 10.022 4.312 1.00 0.00 C ATOM 888 CE1 HIS A 63 -5.600 8.766 5.811 1.00 0.00 C ATOM 889 NE2 HIS A 63 -4.391 9.201 5.410 1.00 0.00 N ATOM 0 H HIS A 63 -8.463 9.619 3.119 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -6.672 10.428 2.118 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -5.868 11.800 2.855 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -7.571 9.105 5.116 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -3.864 10.533 3.737 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -5.769 8.100 6.645 1.00 0.00 H new ATOM 896 N SER A 64 -7.571 13.847 2.548 1.00 0.00 N ATOM 897 CA SER A 64 -7.647 15.013 1.672 1.00 0.00 C ATOM 898 C SER A 64 -7.130 14.753 0.247 1.00 0.00 C ATOM 899 O SER A 64 -6.453 13.764 -0.039 1.00 0.00 O ATOM 900 CB SER A 64 -6.855 16.159 2.316 1.00 0.00 C ATOM 901 OG SER A 64 -7.471 16.549 3.527 1.00 0.00 O ATOM 0 HA SER A 64 -8.701 15.270 1.564 1.00 0.00 H new ATOM 0 HB2 SER A 64 -5.829 15.842 2.505 1.00 0.00 H new ATOM 0 HB3 SER A 64 -6.806 17.007 1.633 1.00 0.00 H new ATOM 0 HG SER A 64 -7.949 15.785 3.912 1.00 0.00 H new ATOM 906 N THR A 65 -7.413 15.696 -0.656 1.00 0.00 N ATOM 907 CA THR A 65 -6.844 15.752 -2.003 1.00 0.00 C ATOM 908 C THR A 65 -5.319 15.687 -1.958 1.00 0.00 C ATOM 909 O THR A 65 -4.738 14.819 -2.597 1.00 0.00 O ATOM 910 CB THR A 65 -7.284 17.055 -2.680 1.00 0.00 C ATOM 911 OG1 THR A 65 -7.038 18.126 -1.788 1.00 0.00 O ATOM 912 CG2 THR A 65 -8.777 17.040 -3.011 1.00 0.00 C ATOM 0 H THR A 65 -8.061 16.460 -0.464 1.00 0.00 H new ATOM 0 HA THR A 65 -7.204 14.894 -2.570 1.00 0.00 H new ATOM 0 HB THR A 65 -6.724 17.167 -3.609 1.00 0.00 H new ATOM 0 HG1 THR A 65 -7.312 18.969 -2.206 1.00 0.00 H new ATOM 0 HG21 THR A 65 -9.053 17.980 -3.490 1.00 0.00 H new ATOM 0 HG22 THR A 65 -8.992 16.212 -3.686 1.00 0.00 H new ATOM 0 HG23 THR A 65 -9.352 16.918 -2.093 1.00 0.00 H new ATOM 920 N ASP A 66 -4.689 16.568 -1.177 1.00 0.00 N ATOM 921 CA ASP A 66 -3.269 16.550 -0.823 1.00 0.00 C ATOM 922 C ASP A 66 -2.682 15.125 -0.763 1.00 0.00 C ATOM 923 O ASP A 66 -1.737 14.781 -1.472 1.00 0.00 O ATOM 924 CB ASP A 66 -3.146 17.267 0.528 1.00 0.00 C ATOM 925 CG ASP A 66 -1.742 17.161 1.102 1.00 0.00 C ATOM 926 OD1 ASP A 66 -1.509 16.166 1.821 1.00 0.00 O ATOM 927 OD2 ASP A 66 -0.938 18.064 0.795 1.00 0.00 O ATOM 0 H ASP A 66 -5.182 17.354 -0.753 1.00 0.00 H new ATOM 0 HA ASP A 66 -2.689 17.056 -1.595 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.410 18.318 0.406 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.859 16.839 1.232 1.00 0.00 H new ATOM 931 N ALA A 67 -3.305 14.266 0.044 1.00 0.00 N ATOM 932 CA ALA A 67 -2.858 12.896 0.235 1.00 0.00 C ATOM 933 C ALA A 67 -2.962 12.105 -1.072 1.00 0.00 C ATOM 934 O ALA A 67 -2.008 11.487 -1.528 1.00 0.00 O ATOM 935 CB ALA A 67 -3.699 12.257 1.340 1.00 0.00 C ATOM 0 H ALA A 67 -4.137 14.507 0.583 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.809 12.887 0.532 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.375 11.228 1.495 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -3.573 12.820 2.265 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.750 12.267 1.049 1.00 0.00 H new ATOM 941 N ARG A 68 -4.126 12.144 -1.710 1.00 0.00 N ATOM 942 CA ARG A 68 -4.411 11.404 -2.936 1.00 0.00 C ATOM 943 C ARG A 68 -3.481 11.832 -4.077 1.00 0.00 C ATOM 944 O ARG A 68 -3.025 11.018 -4.879 1.00 0.00 O ATOM 945 CB ARG A 68 -5.894 11.658 -3.243 1.00 0.00 C ATOM 946 CG ARG A 68 -6.780 10.968 -2.187 1.00 0.00 C ATOM 947 CD ARG A 68 -8.243 11.418 -2.273 1.00 0.00 C ATOM 948 NE ARG A 68 -8.926 11.223 -0.977 1.00 0.00 N ATOM 949 CZ ARG A 68 -9.719 10.220 -0.580 1.00 0.00 C ATOM 950 NH1 ARG A 68 -9.933 9.147 -1.329 1.00 0.00 N ATOM 951 NH2 ARG A 68 -10.302 10.319 0.599 1.00 0.00 N ATOM 0 H ARG A 68 -4.915 12.702 -1.384 1.00 0.00 H new ATOM 0 HA ARG A 68 -4.227 10.336 -2.819 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -6.093 12.730 -3.252 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -6.138 11.280 -4.236 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -6.726 9.888 -2.320 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -6.393 11.186 -1.192 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -8.289 12.469 -2.560 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -8.758 10.852 -3.050 1.00 0.00 H new ATOM 0 HE ARG A 68 -8.771 11.957 -0.286 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -9.486 9.065 -2.242 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -10.544 8.403 -0.992 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -10.143 11.143 1.179 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -10.912 9.572 0.931 1.00 0.00 H new ATOM 962 N GLU A 69 -3.166 13.121 -4.095 1.00 0.00 N ATOM 963 CA GLU A 69 -2.183 13.740 -4.963 1.00 0.00 C ATOM 964 C GLU A 69 -0.767 13.242 -4.635 1.00 0.00 C ATOM 965 O GLU A 69 -0.002 12.892 -5.531 1.00 0.00 O ATOM 966 CB GLU A 69 -2.354 15.259 -4.836 1.00 0.00 C ATOM 967 CG GLU A 69 -1.583 16.056 -5.905 1.00 0.00 C ATOM 968 CD GLU A 69 -1.831 15.594 -7.334 1.00 0.00 C ATOM 969 OE1 GLU A 69 -2.993 15.295 -7.696 1.00 0.00 O ATOM 970 OE2 GLU A 69 -0.841 15.426 -8.079 1.00 0.00 O ATOM 0 H GLU A 69 -3.614 13.793 -3.472 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.337 13.461 -6.005 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.414 15.504 -4.905 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -2.018 15.573 -3.848 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -1.856 17.108 -5.824 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -0.516 15.986 -5.693 1.00 0.00 H new ATOM 975 N LEU A 70 -0.438 13.131 -3.343 1.00 0.00 N ATOM 976 CA LEU A 70 0.833 12.589 -2.883 1.00 0.00 C ATOM 977 C LEU A 70 1.024 11.152 -3.342 1.00 0.00 C ATOM 978 O LEU A 70 2.059 10.803 -3.902 1.00 0.00 O ATOM 979 CB LEU A 70 0.951 12.609 -1.342 1.00 0.00 C ATOM 980 CG LEU A 70 2.341 12.171 -0.836 1.00 0.00 C ATOM 981 CD1 LEU A 70 3.504 12.648 -1.699 1.00 0.00 C ATOM 982 CD2 LEU A 70 2.616 12.667 0.584 1.00 0.00 C ATOM 0 H LEU A 70 -1.057 13.419 -2.585 1.00 0.00 H new ATOM 0 HA LEU A 70 1.601 13.230 -3.317 1.00 0.00 H new ATOM 0 HB2 LEU A 70 0.740 13.615 -0.980 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.192 11.952 -0.917 1.00 0.00 H new ATOM 0 HG LEU A 70 2.292 11.083 -0.877 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.443 12.296 -1.271 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.394 12.252 -2.709 1.00 0.00 H new ATOM 0 HD13 LEU A 70 3.508 13.737 -1.735 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.605 12.336 0.900 1.00 0.00 H new ATOM 0 HD22 LEU A 70 2.575 13.756 0.603 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.864 12.263 1.262 1.00 0.00 H new ATOM 993 N SER A 71 0.027 10.293 -3.121 1.00 0.00 N ATOM 994 CA SER A 71 0.243 8.871 -3.209 1.00 0.00 C ATOM 995 C SER A 71 0.713 8.361 -4.563 1.00 0.00 C ATOM 996 O SER A 71 1.242 7.259 -4.647 1.00 0.00 O ATOM 997 CB SER A 71 -1.012 8.126 -2.766 1.00 0.00 C ATOM 998 OG SER A 71 -1.644 8.800 -1.700 1.00 0.00 O ATOM 0 H SER A 71 -0.926 10.567 -2.882 1.00 0.00 H new ATOM 0 HA SER A 71 1.074 8.667 -2.534 1.00 0.00 H new ATOM 0 HB2 SER A 71 -1.702 8.035 -3.605 1.00 0.00 H new ATOM 0 HB3 SER A 71 -0.750 7.114 -2.458 1.00 0.00 H new ATOM 0 HG SER A 71 -2.447 8.307 -1.432 1.00 0.00 H new ATOM 1003 N LYS A 72 0.580 9.176 -5.605 1.00 0.00 N ATOM 1004 CA LYS A 72 1.218 8.919 -6.898 1.00 0.00 C ATOM 1005 C LYS A 72 2.701 8.535 -6.715 1.00 0.00 C ATOM 1006 O LYS A 72 3.212 7.654 -7.398 1.00 0.00 O ATOM 1007 CB LYS A 72 1.087 10.158 -7.793 1.00 0.00 C ATOM 1008 CG LYS A 72 -0.370 10.624 -7.875 1.00 0.00 C ATOM 1009 CD LYS A 72 -0.504 11.828 -8.814 1.00 0.00 C ATOM 1010 CE LYS A 72 -1.970 12.275 -8.876 1.00 0.00 C ATOM 1011 NZ LYS A 72 -2.092 13.634 -9.441 1.00 0.00 N ATOM 0 H LYS A 72 0.028 10.033 -5.580 1.00 0.00 H new ATOM 0 HA LYS A 72 0.714 8.079 -7.376 1.00 0.00 H new ATOM 0 HB2 LYS A 72 1.708 10.963 -7.400 1.00 0.00 H new ATOM 0 HB3 LYS A 72 1.456 9.930 -8.793 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -0.998 9.808 -8.231 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.728 10.891 -6.881 1.00 0.00 H new ATOM 0 HD2 LYS A 72 0.122 12.648 -8.461 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -0.152 11.565 -9.811 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -2.541 11.573 -9.484 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -2.402 12.255 -7.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -2.874 14.136 -8.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -1.205 14.155 -9.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -2.284 13.570 -10.461 1.00 0.00 H new ATOM 1021 N THR A 73 3.366 9.179 -5.747 1.00 0.00 N ATOM 1022 CA THR A 73 4.757 8.908 -5.349 1.00 0.00 C ATOM 1023 C THR A 73 4.958 7.647 -4.500 1.00 0.00 C ATOM 1024 O THR A 73 6.045 7.078 -4.456 1.00 0.00 O ATOM 1025 CB THR A 73 5.369 10.140 -4.649 1.00 0.00 C ATOM 1026 OG1 THR A 73 6.740 10.242 -4.964 1.00 0.00 O ATOM 1027 CG2 THR A 73 5.263 10.105 -3.116 1.00 0.00 C ATOM 0 H THR A 73 2.939 9.927 -5.201 1.00 0.00 H new ATOM 0 HA THR A 73 5.285 8.706 -6.281 1.00 0.00 H new ATOM 0 HB THR A 73 4.793 10.991 -5.013 1.00 0.00 H new ATOM 0 HG1 THR A 73 7.121 11.027 -4.517 1.00 0.00 H new ATOM 0 HG21 THR A 73 5.715 11.005 -2.699 1.00 0.00 H new ATOM 0 HG22 THR A 73 4.214 10.058 -2.825 1.00 0.00 H new ATOM 0 HG23 THR A 73 5.785 9.227 -2.735 1.00 0.00 H new ATOM 1035 N PHE A 74 3.904 7.220 -3.812 1.00 0.00 N ATOM 1036 CA PHE A 74 3.886 6.062 -2.930 1.00 0.00 C ATOM 1037 C PHE A 74 3.502 4.801 -3.685 1.00 0.00 C ATOM 1038 O PHE A 74 3.828 3.689 -3.280 1.00 0.00 O ATOM 1039 CB PHE A 74 2.890 6.352 -1.822 1.00 0.00 C ATOM 1040 CG PHE A 74 3.388 7.286 -0.733 1.00 0.00 C ATOM 1041 CD1 PHE A 74 4.745 7.341 -0.339 1.00 0.00 C ATOM 1042 CD2 PHE A 74 2.459 8.128 -0.104 1.00 0.00 C ATOM 1043 CE1 PHE A 74 5.194 8.369 0.508 1.00 0.00 C ATOM 1044 CE2 PHE A 74 2.891 9.084 0.823 1.00 0.00 C ATOM 1045 CZ PHE A 74 4.260 9.266 1.051 1.00 0.00 C ATOM 0 H PHE A 74 3.001 7.693 -3.857 1.00 0.00 H new ATOM 0 HA PHE A 74 4.880 5.889 -2.517 1.00 0.00 H new ATOM 0 HB2 PHE A 74 1.993 6.783 -2.266 1.00 0.00 H new ATOM 0 HB3 PHE A 74 2.597 5.408 -1.363 1.00 0.00 H new ATOM 0 HD1 PHE A 74 5.438 6.591 -0.690 1.00 0.00 H new ATOM 0 HD2 PHE A 74 1.408 8.039 -0.335 1.00 0.00 H new ATOM 0 HE1 PHE A 74 6.245 8.468 0.738 1.00 0.00 H new ATOM 0 HE2 PHE A 74 2.169 9.680 1.361 1.00 0.00 H new ATOM 0 HZ PHE A 74 4.599 10.100 1.647 1.00 0.00 H new ATOM 1054 N ILE A 75 2.759 4.981 -4.766 1.00 0.00 N ATOM 1055 CA ILE A 75 2.305 3.895 -5.591 1.00 0.00 C ATOM 1056 C ILE A 75 3.461 3.211 -6.315 1.00 0.00 C ATOM 1057 O ILE A 75 4.442 3.842 -6.701 1.00 0.00 O ATOM 1058 CB ILE A 75 1.272 4.456 -6.581 1.00 0.00 C ATOM 1059 CG1 ILE A 75 -0.080 4.394 -5.868 1.00 0.00 C ATOM 1060 CG2 ILE A 75 1.256 3.770 -7.957 1.00 0.00 C ATOM 1061 CD1 ILE A 75 -1.212 4.696 -6.828 1.00 0.00 C ATOM 0 H ILE A 75 2.456 5.899 -5.091 1.00 0.00 H new ATOM 0 HA ILE A 75 1.846 3.127 -4.969 1.00 0.00 H new ATOM 0 HB ILE A 75 1.539 5.481 -6.840 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -0.221 3.405 -5.433 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -0.095 5.109 -5.045 1.00 0.00 H new ATOM 0 HG21 ILE A 75 0.496 4.234 -8.586 1.00 0.00 H new ATOM 0 HG22 ILE A 75 2.233 3.878 -8.429 1.00 0.00 H new ATOM 0 HG23 ILE A 75 1.028 2.711 -7.833 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -2.163 4.646 -6.297 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -1.081 5.695 -7.243 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -1.209 3.965 -7.636 1.00 0.00 H new ATOM 1072 N ILE A 76 3.276 1.917 -6.560 1.00 0.00 N ATOM 1073 CA ILE A 76 4.155 1.112 -7.401 1.00 0.00 C ATOM 1074 C ILE A 76 3.426 0.468 -8.596 1.00 0.00 C ATOM 1075 O ILE A 76 4.075 0.024 -9.543 1.00 0.00 O ATOM 1076 CB ILE A 76 4.897 0.094 -6.528 1.00 0.00 C ATOM 1077 CG1 ILE A 76 3.896 -0.813 -5.801 1.00 0.00 C ATOM 1078 CG2 ILE A 76 5.806 0.820 -5.522 1.00 0.00 C ATOM 1079 CD1 ILE A 76 4.643 -1.866 -4.977 1.00 0.00 C ATOM 0 H ILE A 76 2.495 1.388 -6.171 1.00 0.00 H new ATOM 0 HA ILE A 76 4.891 1.771 -7.862 1.00 0.00 H new ATOM 0 HB ILE A 76 5.522 -0.530 -7.167 1.00 0.00 H new ATOM 0 HG12 ILE A 76 3.258 -0.215 -5.150 1.00 0.00 H new ATOM 0 HG13 ILE A 76 3.244 -1.302 -6.525 1.00 0.00 H new ATOM 0 HG21 ILE A 76 6.328 0.086 -4.908 1.00 0.00 H new ATOM 0 HG22 ILE A 76 6.535 1.426 -6.061 1.00 0.00 H new ATOM 0 HG23 ILE A 76 5.201 1.463 -4.883 1.00 0.00 H new ATOM 0 HD11 ILE A 76 3.924 -2.505 -4.465 1.00 0.00 H new ATOM 0 HD12 ILE A 76 5.262 -2.473 -5.638 1.00 0.00 H new ATOM 0 HD13 ILE A 76 5.276 -1.370 -4.241 1.00 0.00 H new ATOM 1090 N GLY A 77 2.086 0.417 -8.568 1.00 0.00 N ATOM 1091 CA GLY A 77 1.231 0.022 -9.689 1.00 0.00 C ATOM 1092 C GLY A 77 -0.089 -0.574 -9.191 1.00 0.00 C ATOM 1093 O GLY A 77 -0.734 0.071 -8.372 1.00 0.00 O ATOM 0 H GLY A 77 1.552 0.659 -7.733 1.00 0.00 H new ATOM 0 HA2 GLY A 77 1.028 0.888 -10.319 1.00 0.00 H new ATOM 0 HA3 GLY A 77 1.752 -0.707 -10.309 1.00 0.00 H new ATOM 1097 N GLU A 78 -0.482 -1.778 -9.633 1.00 0.00 N ATOM 1098 CA GLU A 78 -1.739 -2.443 -9.262 1.00 0.00 C ATOM 1099 C GLU A 78 -1.480 -3.820 -8.630 1.00 0.00 C ATOM 1100 O GLU A 78 -0.460 -4.462 -8.888 1.00 0.00 O ATOM 1101 CB GLU A 78 -2.585 -2.712 -10.518 1.00 0.00 C ATOM 1102 CG GLU A 78 -3.191 -1.516 -11.267 1.00 0.00 C ATOM 1103 CD GLU A 78 -2.255 -0.869 -12.277 1.00 0.00 C ATOM 1104 OE1 GLU A 78 -1.531 0.066 -11.870 1.00 0.00 O ATOM 1105 OE2 GLU A 78 -2.324 -1.269 -13.460 1.00 0.00 O ATOM 0 H GLU A 78 0.083 -2.332 -10.277 1.00 0.00 H new ATOM 0 HA GLU A 78 -2.245 -1.782 -8.559 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -1.964 -3.264 -11.223 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -3.404 -3.372 -10.230 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -4.092 -1.845 -11.784 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -3.497 -0.764 -10.540 1.00 0.00 H new ATOM 1110 N LEU A 79 -2.484 -4.351 -7.928 1.00 0.00 N ATOM 1111 CA LEU A 79 -2.451 -5.674 -7.291 1.00 0.00 C ATOM 1112 C LEU A 79 -2.473 -6.877 -8.217 1.00 0.00 C ATOM 1113 O LEU A 79 -2.741 -7.968 -7.753 1.00 0.00 O ATOM 1114 CB LEU A 79 -3.530 -5.732 -6.192 1.00 0.00 C ATOM 1115 CG LEU A 79 -4.818 -6.537 -6.508 1.00 0.00 C ATOM 1116 CD1 LEU A 79 -4.872 -7.697 -5.520 1.00 0.00 C ATOM 1117 CD2 LEU A 79 -6.078 -5.696 -6.335 1.00 0.00 C ATOM 0 H LEU A 79 -3.367 -3.861 -7.782 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.460 -5.769 -6.847 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.077 -6.156 -5.296 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.821 -4.710 -5.949 1.00 0.00 H new ATOM 0 HG LEU A 79 -4.784 -6.870 -7.545 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -5.766 -8.292 -5.706 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -3.987 -8.322 -5.644 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.902 -7.307 -4.503 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -6.954 -6.301 -6.567 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -6.142 -5.344 -5.305 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -6.040 -4.840 -7.009 1.00 0.00 H new ATOM 1128 N HIS A 80 -2.147 -6.681 -9.493 1.00 0.00 N ATOM 1129 CA HIS A 80 -2.235 -7.666 -10.560 1.00 0.00 C ATOM 1130 C HIS A 80 -3.677 -7.986 -10.925 1.00 0.00 C ATOM 1131 O HIS A 80 -4.606 -7.675 -10.180 1.00 0.00 O ATOM 1132 CB HIS A 80 -1.399 -8.876 -10.190 1.00 0.00 C ATOM 1133 CG HIS A 80 -1.117 -9.899 -11.234 1.00 0.00 C ATOM 1134 ND1 HIS A 80 -1.576 -11.184 -11.301 1.00 0.00 N ATOM 1135 CD2 HIS A 80 -0.199 -9.726 -12.222 1.00 0.00 C ATOM 1136 CE1 HIS A 80 -1.033 -11.734 -12.405 1.00 0.00 C ATOM 1137 NE2 HIS A 80 -0.180 -10.882 -13.000 1.00 0.00 N ATOM 0 H HIS A 80 -1.796 -5.782 -9.824 1.00 0.00 H new ATOM 0 HA HIS A 80 -1.817 -7.254 -11.478 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -0.442 -8.514 -9.816 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -1.896 -9.379 -9.360 1.00 0.00 H new ATOM 0 HD1 HIS A 80 -2.208 -11.639 -10.642 1.00 0.00 H new ATOM 0 HD2 HIS A 80 0.409 -8.847 -12.377 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -1.254 -12.728 -12.764 1.00 0.00 H new ATOM 1144 N PRO A 81 -3.934 -8.503 -12.132 1.00 0.00 N ATOM 1145 CA PRO A 81 -5.273 -8.895 -12.500 1.00 0.00 C ATOM 1146 C PRO A 81 -5.543 -10.368 -12.232 1.00 0.00 C ATOM 1147 O PRO A 81 -6.672 -10.790 -12.455 1.00 0.00 O ATOM 1148 CB PRO A 81 -5.352 -8.636 -13.994 1.00 0.00 C ATOM 1149 CG PRO A 81 -3.919 -8.484 -14.508 1.00 0.00 C ATOM 1150 CD PRO A 81 -3.047 -8.666 -13.276 1.00 0.00 C ATOM 0 HA PRO A 81 -6.009 -8.341 -11.918 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -5.856 -9.459 -14.500 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -5.930 -7.735 -14.197 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -3.690 -9.230 -15.269 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -3.763 -7.506 -14.963 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -2.579 -9.650 -13.270 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -2.243 -7.931 -13.255 1.00 0.00 H new ATOM 1155 N ASP A 82 -4.561 -11.129 -11.736 1.00 0.00 N ATOM 1156 CA ASP A 82 -4.880 -12.540 -11.387 1.00 0.00 C ATOM 1157 C ASP A 82 -5.187 -12.628 -9.882 1.00 0.00 C ATOM 1158 O ASP A 82 -4.972 -13.632 -9.206 1.00 0.00 O ATOM 1159 CB ASP A 82 -3.757 -13.468 -11.876 1.00 0.00 C ATOM 1160 CG ASP A 82 -4.161 -14.933 -11.992 1.00 0.00 C ATOM 1161 OD1 ASP A 82 -5.302 -15.189 -12.429 1.00 0.00 O ATOM 1162 OD2 ASP A 82 -3.282 -15.776 -11.711 1.00 0.00 O ATOM 0 H ASP A 82 -3.599 -10.831 -11.571 1.00 0.00 H new ATOM 0 HA ASP A 82 -5.778 -12.886 -11.899 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -3.412 -13.120 -12.850 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -2.912 -13.389 -11.192 1.00 0.00 H new ATOM 1166 N ASP A 83 -5.722 -11.506 -9.400 1.00 0.00 N ATOM 1167 CA ASP A 83 -5.765 -11.094 -8.038 1.00 0.00 C ATOM 1168 C ASP A 83 -7.068 -10.327 -7.732 1.00 0.00 C ATOM 1169 O ASP A 83 -7.755 -10.615 -6.754 1.00 0.00 O ATOM 1170 CB ASP A 83 -4.523 -10.197 -8.106 1.00 0.00 C ATOM 1171 CG ASP A 83 -3.238 -10.974 -7.873 1.00 0.00 C ATOM 1172 OD1 ASP A 83 -2.828 -11.100 -6.702 1.00 0.00 O ATOM 1173 OD2 ASP A 83 -2.671 -11.427 -8.895 1.00 0.00 O ATOM 0 H ASP A 83 -6.165 -10.825 -10.017 1.00 0.00 H new ATOM 0 HA ASP A 83 -5.761 -11.860 -7.262 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -4.480 -9.712 -9.081 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -4.607 -9.406 -7.361 1.00 0.00 H new ATOM 1177 N ARG A 84 -7.387 -9.342 -8.580 1.00 0.00 N ATOM 1178 CA ARG A 84 -8.659 -8.621 -8.620 1.00 0.00 C ATOM 1179 C ARG A 84 -9.866 -9.511 -8.951 1.00 0.00 C ATOM 1180 O ARG A 84 -10.943 -9.233 -8.377 1.00 0.00 O ATOM 1181 CB ARG A 84 -8.544 -7.520 -9.681 1.00 0.00 C ATOM 1182 CG ARG A 84 -7.657 -6.392 -9.161 1.00 0.00 C ATOM 1183 CD ARG A 84 -7.355 -5.354 -10.238 1.00 0.00 C ATOM 1184 NE ARG A 84 -6.293 -5.828 -11.145 1.00 0.00 N ATOM 1185 CZ ARG A 84 -5.775 -5.090 -12.137 1.00 0.00 C ATOM 1186 NH1 ARG A 84 -6.187 -3.843 -12.334 1.00 0.00 N ATOM 1187 NH2 ARG A 84 -4.846 -5.573 -12.948 1.00 0.00 N ATOM 1188 OXT ARG A 84 -9.717 -10.395 -9.823 1.00 0.00 O ATOM 0 H ARG A 84 -6.732 -9.013 -9.289 1.00 0.00 H new ATOM 0 HA ARG A 84 -8.839 -8.219 -7.623 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -8.125 -7.930 -10.600 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -9.533 -7.134 -9.926 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -8.147 -5.906 -8.317 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -6.722 -6.810 -8.789 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -8.259 -5.144 -10.809 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -7.048 -4.418 -9.771 1.00 0.00 H new ATOM 0 HE ARG A 84 -5.932 -6.772 -11.010 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -6.902 -3.441 -11.728 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -5.788 -3.288 -13.091 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -4.508 -6.528 -12.825 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -4.468 -4.990 -13.695 1.00 0.00 H new