USER MOD reduce.3.24.130724 H: found=0, std=0, add=783, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 781 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 34 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 74 HIS : no HE2:sc= -1.58 K(o=-1.6,f=-3.1) 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 51:sc= 1.25 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 TYR OH : rot -38:sc= -1.21 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl -165:sc= -2.72 (180deg=-4.24) USER MOD Single : A 19 LYS NZ :NH3+ -107:sc= -0.224 (180deg=-2.27!) USER MOD Single : A 22 LYS NZ :NH3+ -156:sc= -0.0751 (180deg=-0.396) USER MOD Single : A 27 SER OG : rot 180:sc=-0.000243 USER MOD Single : A 35 LYS NZ :NH3+ -142:sc= 0.028 (180deg=0) USER MOD Single : A 36 MET CE :methyl 136:sc= -0.323 (180deg=-3.13!) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -4.56 K(o=-4.6,f=-7.8!) USER MOD Single : A 55 MET CE :methyl 158:sc= -0.837 (180deg=-2.1) USER MOD Single : A 60 GLN : amide:sc= -5.63! C(o=-5.6!,f=-5.5!) USER MOD Single : A 65 ASN : amide:sc= -1.42! C(o=-1.4!,f=-4.3!) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 72:sc= 1.14 USER MOD Single : A 72 MET CE :methyl -158:sc= -2.95! (180deg=-4.52!) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ -119:sc= -1.14 (180deg=-2.94!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ -146:sc= -0.792! (180deg=-2.24!) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 16.737 -18.351 -9.704 1.00 0.00 N ATOM 2 CA GLY A 1 15.476 -17.643 -9.821 1.00 0.00 C ATOM 3 C GLY A 1 14.716 -18.017 -11.079 1.00 0.00 C ATOM 4 O GLY A 1 14.860 -17.369 -12.115 1.00 0.00 O ATOM 0 H1 GLY A 1 17.218 -18.061 -8.829 1.00 0.00 H new ATOM 0 H2 GLY A 1 16.559 -19.375 -9.678 1.00 0.00 H new ATOM 0 H3 GLY A 1 17.339 -18.125 -10.521 1.00 0.00 H new ATOM 0 HA2 GLY A 1 14.859 -17.860 -8.949 1.00 0.00 H new ATOM 0 HA3 GLY A 1 15.664 -16.569 -9.819 1.00 0.00 H new ATOM 8 N SER A 2 13.905 -19.067 -10.988 1.00 0.00 N ATOM 9 CA SER A 2 13.124 -19.530 -12.129 1.00 0.00 C ATOM 10 C SER A 2 11.798 -18.781 -12.219 1.00 0.00 C ATOM 11 O SER A 2 10.753 -19.375 -12.486 1.00 0.00 O ATOM 12 CB SER A 2 12.867 -21.034 -12.021 1.00 0.00 C ATOM 13 OG SER A 2 13.958 -21.776 -12.536 1.00 0.00 O ATOM 0 H SER A 2 13.772 -19.612 -10.136 1.00 0.00 H new ATOM 0 HA SER A 2 13.696 -19.331 -13.035 1.00 0.00 H new ATOM 0 HB2 SER A 2 12.700 -21.304 -10.978 1.00 0.00 H new ATOM 0 HB3 SER A 2 11.959 -21.291 -12.566 1.00 0.00 H new ATOM 0 HG SER A 2 13.770 -22.734 -12.454 1.00 0.00 H new ATOM 19 N SER A 3 11.848 -17.472 -11.993 1.00 0.00 N ATOM 20 CA SER A 3 10.651 -16.640 -12.045 1.00 0.00 C ATOM 21 C SER A 3 9.805 -16.982 -13.268 1.00 0.00 C ATOM 22 O SER A 3 10.318 -17.462 -14.277 1.00 0.00 O ATOM 23 CB SER A 3 11.034 -15.159 -12.073 1.00 0.00 C ATOM 24 OG SER A 3 11.397 -14.751 -13.380 1.00 0.00 O ATOM 0 H SER A 3 12.705 -16.964 -11.772 1.00 0.00 H new ATOM 0 HA SER A 3 10.061 -16.838 -11.150 1.00 0.00 H new ATOM 0 HB2 SER A 3 10.197 -14.557 -11.720 1.00 0.00 H new ATOM 0 HB3 SER A 3 11.864 -14.982 -11.390 1.00 0.00 H new ATOM 0 HG SER A 3 11.636 -13.801 -13.372 1.00 0.00 H new ATOM 30 N GLY A 4 8.503 -16.730 -13.168 1.00 0.00 N ATOM 31 CA GLY A 4 7.605 -17.016 -14.271 1.00 0.00 C ATOM 32 C GLY A 4 6.261 -16.333 -14.117 1.00 0.00 C ATOM 33 O GLY A 4 5.226 -16.995 -14.038 1.00 0.00 O ATOM 0 H GLY A 4 8.055 -16.333 -12.342 1.00 0.00 H new ATOM 0 HA2 GLY A 4 8.067 -16.695 -15.204 1.00 0.00 H new ATOM 0 HA3 GLY A 4 7.455 -18.093 -14.344 1.00 0.00 H new ATOM 37 N SER A 5 6.275 -15.005 -14.073 1.00 0.00 N ATOM 38 CA SER A 5 5.048 -14.232 -13.921 1.00 0.00 C ATOM 39 C SER A 5 4.079 -14.932 -12.973 1.00 0.00 C ATOM 40 O SER A 5 2.865 -14.899 -13.174 1.00 0.00 O ATOM 41 CB SER A 5 4.384 -14.019 -15.283 1.00 0.00 C ATOM 42 OG SER A 5 3.554 -12.870 -15.271 1.00 0.00 O ATOM 0 H SER A 5 7.123 -14.442 -14.140 1.00 0.00 H new ATOM 0 HA SER A 5 5.308 -13.263 -13.496 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.149 -13.911 -16.051 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.792 -14.896 -15.544 1.00 0.00 H new ATOM 0 HG SER A 5 3.142 -12.755 -16.153 1.00 0.00 H new ATOM 48 N SER A 6 4.625 -15.564 -11.940 1.00 0.00 N ATOM 49 CA SER A 6 3.810 -16.276 -10.962 1.00 0.00 C ATOM 50 C SER A 6 3.885 -15.598 -9.597 1.00 0.00 C ATOM 51 O SER A 6 4.664 -16.000 -8.734 1.00 0.00 O ATOM 52 CB SER A 6 4.267 -17.731 -10.847 1.00 0.00 C ATOM 53 OG SER A 6 4.029 -18.437 -12.053 1.00 0.00 O ATOM 0 H SER A 6 5.628 -15.598 -11.758 1.00 0.00 H new ATOM 0 HA SER A 6 2.775 -16.254 -11.304 1.00 0.00 H new ATOM 0 HB2 SER A 6 5.330 -17.764 -10.606 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.739 -18.218 -10.027 1.00 0.00 H new ATOM 0 HG SER A 6 4.399 -17.931 -12.807 1.00 0.00 H new ATOM 59 N GLY A 7 3.067 -14.567 -9.409 1.00 0.00 N ATOM 60 CA GLY A 7 3.055 -13.849 -8.148 1.00 0.00 C ATOM 61 C GLY A 7 3.863 -12.568 -8.202 1.00 0.00 C ATOM 62 O GLY A 7 3.408 -11.563 -8.746 1.00 0.00 O ATOM 0 H GLY A 7 2.412 -14.216 -10.108 1.00 0.00 H new ATOM 0 HA2 GLY A 7 2.026 -13.614 -7.877 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.452 -14.493 -7.363 1.00 0.00 H new ATOM 66 N GLN A 8 5.065 -12.604 -7.635 1.00 0.00 N ATOM 67 CA GLN A 8 5.937 -11.435 -7.620 1.00 0.00 C ATOM 68 C GLN A 8 6.396 -11.080 -9.030 1.00 0.00 C ATOM 69 O GLN A 8 7.114 -11.848 -9.671 1.00 0.00 O ATOM 70 CB GLN A 8 7.150 -11.690 -6.724 1.00 0.00 C ATOM 71 CG GLN A 8 7.592 -13.144 -6.697 1.00 0.00 C ATOM 72 CD GLN A 8 9.025 -13.310 -6.231 1.00 0.00 C ATOM 73 OE1 GLN A 8 9.964 -13.188 -7.018 1.00 0.00 O ATOM 74 NE2 GLN A 8 9.201 -13.590 -4.945 1.00 0.00 N ATOM 0 H GLN A 8 5.457 -13.429 -7.181 1.00 0.00 H new ATOM 0 HA GLN A 8 5.370 -10.594 -7.221 1.00 0.00 H new ATOM 0 HB2 GLN A 8 7.980 -11.073 -7.067 1.00 0.00 H new ATOM 0 HB3 GLN A 8 6.914 -11.372 -5.708 1.00 0.00 H new ATOM 0 HG2 GLN A 8 6.932 -13.708 -6.038 1.00 0.00 H new ATOM 0 HG3 GLN A 8 7.487 -13.570 -7.695 1.00 0.00 H new ATOM 0 HE21 GLN A 8 8.394 -13.682 -4.328 1.00 0.00 H new ATOM 0 HE22 GLN A 8 10.143 -13.713 -4.574 1.00 0.00 H new ATOM 83 N ASP A 9 5.978 -9.913 -9.507 1.00 0.00 N ATOM 84 CA ASP A 9 6.347 -9.456 -10.842 1.00 0.00 C ATOM 85 C ASP A 9 7.837 -9.136 -10.913 1.00 0.00 C ATOM 86 O ASP A 9 8.621 -9.900 -11.478 1.00 0.00 O ATOM 87 CB ASP A 9 5.529 -8.223 -11.226 1.00 0.00 C ATOM 88 CG ASP A 9 4.243 -8.582 -11.945 1.00 0.00 C ATOM 89 OD1 ASP A 9 4.215 -9.633 -12.619 1.00 0.00 O ATOM 90 OD2 ASP A 9 3.266 -7.812 -11.835 1.00 0.00 O ATOM 0 H ASP A 9 5.383 -9.266 -8.989 1.00 0.00 H new ATOM 0 HA ASP A 9 6.132 -10.259 -11.547 1.00 0.00 H new ATOM 0 HB2 ASP A 9 5.293 -7.653 -10.327 1.00 0.00 H new ATOM 0 HB3 ASP A 9 6.130 -7.576 -11.865 1.00 0.00 H new ATOM 95 N PHE A 10 8.221 -8.001 -10.339 1.00 0.00 N ATOM 96 CA PHE A 10 9.617 -7.578 -10.339 1.00 0.00 C ATOM 97 C PHE A 10 9.799 -6.303 -9.521 1.00 0.00 C ATOM 98 O PHE A 10 8.974 -5.391 -9.581 1.00 0.00 O ATOM 99 CB PHE A 10 10.103 -7.352 -11.772 1.00 0.00 C ATOM 100 CG PHE A 10 9.148 -6.549 -12.609 1.00 0.00 C ATOM 101 CD1 PHE A 10 9.190 -5.164 -12.596 1.00 0.00 C ATOM 102 CD2 PHE A 10 8.209 -7.179 -13.409 1.00 0.00 C ATOM 103 CE1 PHE A 10 8.314 -4.422 -13.365 1.00 0.00 C ATOM 104 CE2 PHE A 10 7.330 -6.443 -14.181 1.00 0.00 C ATOM 105 CZ PHE A 10 7.382 -5.063 -14.158 1.00 0.00 C ATOM 0 H PHE A 10 7.585 -7.357 -9.868 1.00 0.00 H new ATOM 0 HA PHE A 10 10.211 -8.370 -9.882 1.00 0.00 H new ATOM 0 HB2 PHE A 10 11.066 -6.843 -11.744 1.00 0.00 H new ATOM 0 HB3 PHE A 10 10.267 -8.319 -12.248 1.00 0.00 H new ATOM 0 HD1 PHE A 10 9.916 -4.658 -11.977 1.00 0.00 H new ATOM 0 HD2 PHE A 10 8.163 -8.258 -13.430 1.00 0.00 H new ATOM 0 HE1 PHE A 10 8.358 -3.343 -13.346 1.00 0.00 H new ATOM 0 HE2 PHE A 10 6.603 -6.946 -14.801 1.00 0.00 H new ATOM 0 HZ PHE A 10 6.695 -4.486 -14.759 1.00 0.00 H new ATOM 115 N ASP A 11 10.884 -6.247 -8.757 1.00 0.00 N ATOM 116 CA ASP A 11 11.176 -5.085 -7.927 1.00 0.00 C ATOM 117 C ASP A 11 10.054 -4.837 -6.924 1.00 0.00 C ATOM 118 O ASP A 11 9.489 -3.745 -6.866 1.00 0.00 O ATOM 119 CB ASP A 11 11.379 -3.845 -8.800 1.00 0.00 C ATOM 120 CG ASP A 11 12.625 -3.940 -9.659 1.00 0.00 C ATOM 121 OD1 ASP A 11 13.004 -5.069 -10.032 1.00 0.00 O ATOM 122 OD2 ASP A 11 13.222 -2.884 -9.957 1.00 0.00 O ATOM 0 H ASP A 11 11.576 -6.994 -8.695 1.00 0.00 H new ATOM 0 HA ASP A 11 12.094 -5.286 -7.375 1.00 0.00 H new ATOM 0 HB2 ASP A 11 10.508 -3.709 -9.442 1.00 0.00 H new ATOM 0 HB3 ASP A 11 11.446 -2.963 -8.163 1.00 0.00 H new ATOM 127 N TYR A 12 9.735 -5.859 -6.137 1.00 0.00 N ATOM 128 CA TYR A 12 8.678 -5.753 -5.139 1.00 0.00 C ATOM 129 C TYR A 12 9.230 -5.244 -3.811 1.00 0.00 C ATOM 130 O TYR A 12 9.721 -6.020 -2.991 1.00 0.00 O ATOM 131 CB TYR A 12 8.002 -7.111 -4.936 1.00 0.00 C ATOM 132 CG TYR A 12 6.810 -7.335 -5.839 1.00 0.00 C ATOM 133 CD1 TYR A 12 6.713 -6.692 -7.066 1.00 0.00 C ATOM 134 CD2 TYR A 12 5.780 -8.189 -5.463 1.00 0.00 C ATOM 135 CE1 TYR A 12 5.625 -6.893 -7.894 1.00 0.00 C ATOM 136 CE2 TYR A 12 4.690 -8.397 -6.285 1.00 0.00 C ATOM 137 CZ TYR A 12 4.617 -7.746 -7.500 1.00 0.00 C ATOM 138 OH TYR A 12 3.531 -7.950 -8.321 1.00 0.00 O ATOM 0 H TYR A 12 10.193 -6.770 -6.171 1.00 0.00 H new ATOM 0 HA TYR A 12 7.941 -5.037 -5.503 1.00 0.00 H new ATOM 0 HB2 TYR A 12 8.733 -7.901 -5.110 1.00 0.00 H new ATOM 0 HB3 TYR A 12 7.682 -7.196 -3.898 1.00 0.00 H new ATOM 0 HD1 TYR A 12 7.501 -6.023 -7.379 1.00 0.00 H new ATOM 0 HD2 TYR A 12 5.833 -8.698 -4.512 1.00 0.00 H new ATOM 0 HE1 TYR A 12 5.565 -6.384 -8.845 1.00 0.00 H new ATOM 0 HE2 TYR A 12 3.899 -9.065 -5.979 1.00 0.00 H new ATOM 0 HH TYR A 12 3.286 -7.106 -8.756 1.00 0.00 H new ATOM 148 N PHE A 13 9.146 -3.934 -3.606 1.00 0.00 N ATOM 149 CA PHE A 13 9.637 -3.319 -2.379 1.00 0.00 C ATOM 150 C PHE A 13 8.478 -2.856 -1.501 1.00 0.00 C ATOM 151 O PHE A 13 7.327 -2.827 -1.936 1.00 0.00 O ATOM 152 CB PHE A 13 10.549 -2.135 -2.706 1.00 0.00 C ATOM 153 CG PHE A 13 9.827 -0.980 -3.341 1.00 0.00 C ATOM 154 CD1 PHE A 13 9.656 -0.924 -4.714 1.00 0.00 C ATOM 155 CD2 PHE A 13 9.321 0.049 -2.564 1.00 0.00 C ATOM 156 CE1 PHE A 13 8.992 0.136 -5.302 1.00 0.00 C ATOM 157 CE2 PHE A 13 8.656 1.112 -3.145 1.00 0.00 C ATOM 158 CZ PHE A 13 8.492 1.156 -4.516 1.00 0.00 C ATOM 0 H PHE A 13 8.742 -3.278 -4.274 1.00 0.00 H new ATOM 0 HA PHE A 13 10.208 -4.068 -1.831 1.00 0.00 H new ATOM 0 HB2 PHE A 13 11.030 -1.793 -1.790 1.00 0.00 H new ATOM 0 HB3 PHE A 13 11.341 -2.471 -3.376 1.00 0.00 H new ATOM 0 HD1 PHE A 13 10.046 -1.718 -5.333 1.00 0.00 H new ATOM 0 HD2 PHE A 13 9.448 0.020 -1.492 1.00 0.00 H new ATOM 0 HE1 PHE A 13 8.864 0.167 -6.374 1.00 0.00 H new ATOM 0 HE2 PHE A 13 8.265 1.907 -2.528 1.00 0.00 H new ATOM 0 HZ PHE A 13 7.974 1.986 -4.972 1.00 0.00 H new ATOM 168 N THR A 14 8.791 -2.495 -0.260 1.00 0.00 N ATOM 169 CA THR A 14 7.778 -2.035 0.681 1.00 0.00 C ATOM 170 C THR A 14 7.855 -0.525 0.878 1.00 0.00 C ATOM 171 O THR A 14 8.889 0.092 0.624 1.00 0.00 O ATOM 172 CB THR A 14 7.925 -2.728 2.049 1.00 0.00 C ATOM 173 OG1 THR A 14 9.243 -2.517 2.566 1.00 0.00 O ATOM 174 CG2 THR A 14 7.654 -4.221 1.931 1.00 0.00 C ATOM 0 H THR A 14 9.739 -2.513 0.116 1.00 0.00 H new ATOM 0 HA THR A 14 6.809 -2.294 0.253 1.00 0.00 H new ATOM 0 HB THR A 14 7.194 -2.295 2.732 1.00 0.00 H new ATOM 0 HG1 THR A 14 9.328 -2.959 3.436 1.00 0.00 H new ATOM 0 HG21 THR A 14 7.764 -4.689 2.909 1.00 0.00 H new ATOM 0 HG22 THR A 14 6.640 -4.379 1.565 1.00 0.00 H new ATOM 0 HG23 THR A 14 8.364 -4.666 1.234 1.00 0.00 H new ATOM 182 N VAL A 15 6.755 0.064 1.334 1.00 0.00 N ATOM 183 CA VAL A 15 6.699 1.503 1.568 1.00 0.00 C ATOM 184 C VAL A 15 6.429 1.811 3.036 1.00 0.00 C ATOM 185 O VAL A 15 5.661 1.112 3.697 1.00 0.00 O ATOM 186 CB VAL A 15 5.610 2.169 0.706 1.00 0.00 C ATOM 187 CG1 VAL A 15 5.581 3.670 0.949 1.00 0.00 C ATOM 188 CG2 VAL A 15 5.835 1.863 -0.767 1.00 0.00 C ATOM 0 H VAL A 15 5.890 -0.432 1.549 1.00 0.00 H new ATOM 0 HA VAL A 15 7.672 1.908 1.288 1.00 0.00 H new ATOM 0 HB VAL A 15 4.642 1.760 0.994 1.00 0.00 H new ATOM 0 HG11 VAL A 15 4.806 4.124 0.332 1.00 0.00 H new ATOM 0 HG12 VAL A 15 5.368 3.864 2.000 1.00 0.00 H new ATOM 0 HG13 VAL A 15 6.549 4.099 0.690 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.056 2.341 -1.361 1.00 0.00 H new ATOM 0 HG22 VAL A 15 6.810 2.243 -1.073 1.00 0.00 H new ATOM 0 HG23 VAL A 15 5.800 0.785 -0.924 1.00 0.00 H new ATOM 198 N ASP A 16 7.065 2.862 3.540 1.00 0.00 N ATOM 199 CA ASP A 16 6.893 3.265 4.931 1.00 0.00 C ATOM 200 C ASP A 16 6.713 4.776 5.041 1.00 0.00 C ATOM 201 O ASP A 16 7.634 5.543 4.762 1.00 0.00 O ATOM 202 CB ASP A 16 8.095 2.820 5.766 1.00 0.00 C ATOM 203 CG ASP A 16 7.914 3.111 7.243 1.00 0.00 C ATOM 204 OD1 ASP A 16 6.773 2.990 7.735 1.00 0.00 O ATOM 205 OD2 ASP A 16 8.913 3.461 7.906 1.00 0.00 O ATOM 0 H ASP A 16 7.705 3.451 3.006 1.00 0.00 H new ATOM 0 HA ASP A 16 5.995 2.781 5.315 1.00 0.00 H new ATOM 0 HB2 ASP A 16 8.255 1.751 5.626 1.00 0.00 H new ATOM 0 HB3 ASP A 16 8.991 3.326 5.406 1.00 0.00 H new ATOM 210 N MET A 17 5.520 5.197 5.449 1.00 0.00 N ATOM 211 CA MET A 17 5.219 6.616 5.595 1.00 0.00 C ATOM 212 C MET A 17 4.194 6.843 6.701 1.00 0.00 C ATOM 213 O MET A 17 3.656 5.891 7.265 1.00 0.00 O ATOM 214 CB MET A 17 4.698 7.188 4.275 1.00 0.00 C ATOM 215 CG MET A 17 5.188 6.433 3.050 1.00 0.00 C ATOM 216 SD MET A 17 4.603 7.158 1.507 1.00 0.00 S ATOM 217 CE MET A 17 2.858 7.350 1.864 1.00 0.00 C ATOM 0 H MET A 17 4.746 4.575 5.684 1.00 0.00 H new ATOM 0 HA MET A 17 6.140 7.131 5.867 1.00 0.00 H new ATOM 0 HB2 MET A 17 3.608 7.175 4.288 1.00 0.00 H new ATOM 0 HB3 MET A 17 5.003 8.231 4.195 1.00 0.00 H new ATOM 0 HG2 MET A 17 6.278 6.418 3.049 1.00 0.00 H new ATOM 0 HG3 MET A 17 4.855 5.397 3.109 1.00 0.00 H new ATOM 0 HE1 MET A 17 2.315 7.532 0.937 1.00 0.00 H new ATOM 0 HE2 MET A 17 2.481 6.442 2.334 1.00 0.00 H new ATOM 0 HE3 MET A 17 2.715 8.194 2.539 1.00 0.00 H new ATOM 227 N GLU A 18 3.930 8.110 7.007 1.00 0.00 N ATOM 228 CA GLU A 18 2.970 8.460 8.047 1.00 0.00 C ATOM 229 C GLU A 18 1.821 9.282 7.471 1.00 0.00 C ATOM 230 O GLU A 18 1.829 9.645 6.295 1.00 0.00 O ATOM 231 CB GLU A 18 3.660 9.242 9.167 1.00 0.00 C ATOM 232 CG GLU A 18 4.191 8.362 10.286 1.00 0.00 C ATOM 233 CD GLU A 18 5.397 8.965 10.980 1.00 0.00 C ATOM 234 OE1 GLU A 18 6.495 8.949 10.385 1.00 0.00 O ATOM 235 OE2 GLU A 18 5.242 9.453 12.119 1.00 0.00 O ATOM 0 H GLU A 18 4.367 8.910 6.550 1.00 0.00 H new ATOM 0 HA GLU A 18 2.563 7.536 8.457 1.00 0.00 H new ATOM 0 HB2 GLU A 18 4.485 9.815 8.744 1.00 0.00 H new ATOM 0 HB3 GLU A 18 2.955 9.961 9.585 1.00 0.00 H new ATOM 0 HG2 GLU A 18 3.401 8.195 11.018 1.00 0.00 H new ATOM 0 HG3 GLU A 18 4.460 7.387 9.880 1.00 0.00 H new ATOM 242 N LYS A 19 0.832 9.573 8.310 1.00 0.00 N ATOM 243 CA LYS A 19 -0.326 10.353 7.887 1.00 0.00 C ATOM 244 C LYS A 19 -0.043 11.848 7.993 1.00 0.00 C ATOM 245 O LYS A 19 0.899 12.265 8.666 1.00 0.00 O ATOM 246 CB LYS A 19 -1.547 9.992 8.737 1.00 0.00 C ATOM 247 CG LYS A 19 -2.861 10.479 8.150 1.00 0.00 C ATOM 248 CD LYS A 19 -4.046 9.742 8.750 1.00 0.00 C ATOM 249 CE LYS A 19 -4.209 8.359 8.140 1.00 0.00 C ATOM 250 NZ LYS A 19 -5.612 7.869 8.243 1.00 0.00 N ATOM 0 H LYS A 19 0.809 9.280 9.287 1.00 0.00 H new ATOM 0 HA LYS A 19 -0.533 10.114 6.844 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -1.590 8.909 8.855 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -1.424 10.416 9.733 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -2.967 11.549 8.331 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -2.853 10.338 7.069 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -3.912 9.652 9.828 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -4.955 10.321 8.589 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -3.910 8.387 7.092 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -3.542 7.659 8.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -5.667 7.123 8.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -6.236 8.657 8.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -5.914 7.485 7.325 1.00 0.00 H new ATOM 264 N GLY A 20 -0.866 12.650 7.325 1.00 0.00 N ATOM 265 CA GLY A 20 -0.688 14.090 7.359 1.00 0.00 C ATOM 266 C GLY A 20 -1.886 14.809 7.948 1.00 0.00 C ATOM 267 O GLY A 20 -2.288 14.535 9.079 1.00 0.00 O ATOM 0 H GLY A 20 -1.653 12.329 6.761 1.00 0.00 H new ATOM 0 HA2 GLY A 20 0.200 14.329 7.945 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -0.510 14.455 6.347 1.00 0.00 H new ATOM 271 N ALA A 21 -2.456 15.732 7.181 1.00 0.00 N ATOM 272 CA ALA A 21 -3.615 16.492 7.634 1.00 0.00 C ATOM 273 C ALA A 21 -4.910 15.734 7.360 1.00 0.00 C ATOM 274 O ALA A 21 -5.707 15.497 8.268 1.00 0.00 O ATOM 275 CB ALA A 21 -3.647 17.856 6.961 1.00 0.00 C ATOM 0 H ALA A 21 -2.134 15.972 6.243 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.528 16.632 8.711 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -4.517 18.413 7.308 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.740 18.407 7.212 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.706 17.727 5.880 1.00 0.00 H new ATOM 281 N LYS A 22 -5.114 15.355 6.103 1.00 0.00 N ATOM 282 CA LYS A 22 -6.311 14.623 5.709 1.00 0.00 C ATOM 283 C LYS A 22 -5.969 13.189 5.318 1.00 0.00 C ATOM 284 O LYS A 22 -6.853 12.391 5.010 1.00 0.00 O ATOM 285 CB LYS A 22 -7.005 15.329 4.541 1.00 0.00 C ATOM 286 CG LYS A 22 -6.309 15.124 3.207 1.00 0.00 C ATOM 287 CD LYS A 22 -5.296 16.223 2.931 1.00 0.00 C ATOM 288 CE LYS A 22 -5.935 17.401 2.211 1.00 0.00 C ATOM 289 NZ LYS A 22 -6.347 17.046 0.825 1.00 0.00 N ATOM 0 H LYS A 22 -4.465 15.543 5.339 1.00 0.00 H new ATOM 0 HA LYS A 22 -6.987 14.597 6.564 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -8.030 14.967 4.466 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -7.059 16.397 4.753 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -5.807 14.156 3.202 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -7.050 15.103 2.408 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -4.860 16.562 3.871 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -4.481 15.825 2.327 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -6.805 17.741 2.773 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -5.231 18.232 2.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -6.391 17.908 0.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -5.655 16.387 0.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -7.284 16.595 0.846 1.00 0.00 H new ATOM 303 N GLY A 23 -4.679 12.868 5.335 1.00 0.00 N ATOM 304 CA GLY A 23 -4.243 11.530 4.982 1.00 0.00 C ATOM 305 C GLY A 23 -2.758 11.464 4.682 1.00 0.00 C ATOM 306 O GLY A 23 -2.001 12.360 5.056 1.00 0.00 O ATOM 0 H GLY A 23 -3.928 13.511 5.587 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -4.476 10.848 5.800 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.802 11.187 4.111 1.00 0.00 H new ATOM 310 N PHE A 24 -2.339 10.399 4.006 1.00 0.00 N ATOM 311 CA PHE A 24 -0.935 10.218 3.658 1.00 0.00 C ATOM 312 C PHE A 24 -0.584 10.991 2.390 1.00 0.00 C ATOM 313 O PHE A 24 0.199 10.526 1.563 1.00 0.00 O ATOM 314 CB PHE A 24 -0.623 8.732 3.466 1.00 0.00 C ATOM 315 CG PHE A 24 -0.765 7.922 4.723 1.00 0.00 C ATOM 316 CD1 PHE A 24 -2.019 7.583 5.206 1.00 0.00 C ATOM 317 CD2 PHE A 24 0.354 7.500 5.422 1.00 0.00 C ATOM 318 CE1 PHE A 24 -2.153 6.838 6.362 1.00 0.00 C ATOM 319 CE2 PHE A 24 0.227 6.755 6.579 1.00 0.00 C ATOM 320 CZ PHE A 24 -1.029 6.423 7.049 1.00 0.00 C ATOM 0 H PHE A 24 -2.952 9.648 3.688 1.00 0.00 H new ATOM 0 HA PHE A 24 -0.331 10.607 4.478 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -1.288 8.325 2.704 1.00 0.00 H new ATOM 0 HB3 PHE A 24 0.395 8.628 3.090 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -2.901 7.905 4.673 1.00 0.00 H new ATOM 0 HD2 PHE A 24 1.338 7.756 5.058 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -3.136 6.580 6.728 1.00 0.00 H new ATOM 0 HE2 PHE A 24 1.108 6.433 7.115 1.00 0.00 H new ATOM 0 HZ PHE A 24 -1.132 5.840 7.952 1.00 0.00 H new ATOM 330 N GLY A 25 -1.172 12.175 2.245 1.00 0.00 N ATOM 331 CA GLY A 25 -0.910 12.994 1.075 1.00 0.00 C ATOM 332 C GLY A 25 -0.714 12.167 -0.180 1.00 0.00 C ATOM 333 O GLY A 25 0.144 12.474 -1.007 1.00 0.00 O ATOM 0 H GLY A 25 -1.824 12.581 2.916 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.740 13.684 0.925 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.020 13.599 1.251 1.00 0.00 H new ATOM 337 N PHE A 26 -1.511 11.113 -0.322 1.00 0.00 N ATOM 338 CA PHE A 26 -1.419 10.236 -1.484 1.00 0.00 C ATOM 339 C PHE A 26 -2.762 9.570 -1.770 1.00 0.00 C ATOM 340 O PHE A 26 -3.464 9.144 -0.852 1.00 0.00 O ATOM 341 CB PHE A 26 -0.345 9.170 -1.262 1.00 0.00 C ATOM 342 CG PHE A 26 -0.868 7.915 -0.625 1.00 0.00 C ATOM 343 CD1 PHE A 26 -1.770 7.106 -1.296 1.00 0.00 C ATOM 344 CD2 PHE A 26 -0.458 7.544 0.646 1.00 0.00 C ATOM 345 CE1 PHE A 26 -2.254 5.951 -0.712 1.00 0.00 C ATOM 346 CE2 PHE A 26 -0.938 6.390 1.235 1.00 0.00 C ATOM 347 CZ PHE A 26 -1.836 5.592 0.555 1.00 0.00 C ATOM 0 H PHE A 26 -2.228 10.845 0.353 1.00 0.00 H new ATOM 0 HA PHE A 26 -1.144 10.844 -2.346 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.110 8.919 -2.220 1.00 0.00 H new ATOM 0 HB3 PHE A 26 0.443 9.585 -0.634 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -2.099 7.381 -2.287 1.00 0.00 H new ATOM 0 HD2 PHE A 26 0.245 8.164 1.182 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -2.958 5.330 -1.245 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -0.611 6.113 2.226 1.00 0.00 H new ATOM 0 HZ PHE A 26 -2.211 4.689 1.013 1.00 0.00 H new ATOM 357 N SER A 27 -3.112 9.483 -3.049 1.00 0.00 N ATOM 358 CA SER A 27 -4.372 8.872 -3.457 1.00 0.00 C ATOM 359 C SER A 27 -4.125 7.580 -4.229 1.00 0.00 C ATOM 360 O SER A 27 -2.985 7.250 -4.560 1.00 0.00 O ATOM 361 CB SER A 27 -5.181 9.846 -4.316 1.00 0.00 C ATOM 362 OG SER A 27 -6.543 9.461 -4.379 1.00 0.00 O ATOM 0 H SER A 27 -2.541 9.828 -3.821 1.00 0.00 H new ATOM 0 HA SER A 27 -4.940 8.634 -2.557 1.00 0.00 H new ATOM 0 HB2 SER A 27 -5.103 10.851 -3.902 1.00 0.00 H new ATOM 0 HB3 SER A 27 -4.763 9.882 -5.322 1.00 0.00 H new ATOM 0 HG SER A 27 -7.038 10.100 -4.932 1.00 0.00 H new ATOM 368 N ILE A 28 -5.200 6.852 -4.511 1.00 0.00 N ATOM 369 CA ILE A 28 -5.100 5.596 -5.245 1.00 0.00 C ATOM 370 C ILE A 28 -6.179 5.500 -6.318 1.00 0.00 C ATOM 371 O ILE A 28 -7.093 6.322 -6.370 1.00 0.00 O ATOM 372 CB ILE A 28 -5.220 4.383 -4.303 1.00 0.00 C ATOM 373 CG1 ILE A 28 -6.015 4.758 -3.051 1.00 0.00 C ATOM 374 CG2 ILE A 28 -3.839 3.868 -3.925 1.00 0.00 C ATOM 375 CD1 ILE A 28 -6.634 3.570 -2.349 1.00 0.00 C ATOM 0 H ILE A 28 -6.150 7.110 -4.243 1.00 0.00 H new ATOM 0 HA ILE A 28 -4.118 5.583 -5.718 1.00 0.00 H new ATOM 0 HB ILE A 28 -5.753 3.588 -4.824 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -5.357 5.278 -2.355 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -6.804 5.458 -3.328 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -3.940 3.011 -3.259 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -3.304 3.567 -4.826 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -3.282 4.657 -3.419 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -7.182 3.911 -1.471 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -7.318 3.062 -3.029 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.849 2.880 -2.041 1.00 0.00 H new ATOM 387 N ARG A 29 -6.066 4.489 -7.174 1.00 0.00 N ATOM 388 CA ARG A 29 -7.031 4.284 -8.247 1.00 0.00 C ATOM 389 C ARG A 29 -7.141 2.805 -8.605 1.00 0.00 C ATOM 390 O ARG A 29 -6.336 1.987 -8.161 1.00 0.00 O ATOM 391 CB ARG A 29 -6.631 5.091 -9.483 1.00 0.00 C ATOM 392 CG ARG A 29 -5.478 4.478 -10.262 1.00 0.00 C ATOM 393 CD ARG A 29 -5.511 4.895 -11.725 1.00 0.00 C ATOM 394 NE ARG A 29 -4.184 4.861 -12.333 1.00 0.00 N ATOM 395 CZ ARG A 29 -3.908 5.381 -13.524 1.00 0.00 C ATOM 396 NH1 ARG A 29 -4.861 5.972 -14.230 1.00 0.00 N ATOM 397 NH2 ARG A 29 -2.675 5.310 -14.011 1.00 0.00 N ATOM 0 H ARG A 29 -5.315 3.799 -7.145 1.00 0.00 H new ATOM 0 HA ARG A 29 -8.004 4.628 -7.897 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -7.495 5.184 -10.141 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -6.355 6.099 -9.175 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -4.532 4.785 -9.816 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -5.526 3.391 -10.191 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -6.179 4.233 -12.276 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -5.921 5.902 -11.806 1.00 0.00 H new ATOM 0 HE ARG A 29 -3.428 4.414 -11.815 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -5.810 6.029 -13.859 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -4.646 6.370 -15.144 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -1.939 4.856 -13.471 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -2.464 5.710 -14.925 1.00 0.00 H new ATOM 411 N GLY A 30 -8.144 2.469 -9.410 1.00 0.00 N ATOM 412 CA GLY A 30 -8.341 1.088 -9.813 1.00 0.00 C ATOM 413 C GLY A 30 -8.998 0.256 -8.730 1.00 0.00 C ATOM 414 O GLY A 30 -9.449 0.788 -7.717 1.00 0.00 O ATOM 0 H GLY A 30 -8.824 3.128 -9.790 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -8.956 1.059 -10.712 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -7.378 0.647 -10.071 1.00 0.00 H new ATOM 418 N GLY A 31 -9.053 -1.055 -8.945 1.00 0.00 N ATOM 419 CA GLY A 31 -9.663 -1.941 -7.970 1.00 0.00 C ATOM 420 C GLY A 31 -10.645 -2.908 -8.601 1.00 0.00 C ATOM 421 O GLY A 31 -10.954 -2.803 -9.788 1.00 0.00 O ATOM 0 H GLY A 31 -8.686 -1.519 -9.776 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -8.883 -2.503 -7.456 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -10.177 -1.347 -7.215 1.00 0.00 H new ATOM 425 N ARG A 32 -11.137 -3.853 -7.806 1.00 0.00 N ATOM 426 CA ARG A 32 -12.088 -4.844 -8.295 1.00 0.00 C ATOM 427 C ARG A 32 -13.286 -4.168 -8.956 1.00 0.00 C ATOM 428 O ARG A 32 -13.979 -4.774 -9.773 1.00 0.00 O ATOM 429 CB ARG A 32 -12.562 -5.736 -7.146 1.00 0.00 C ATOM 430 CG ARG A 32 -11.705 -6.975 -6.944 1.00 0.00 C ATOM 431 CD ARG A 32 -11.917 -7.987 -8.059 1.00 0.00 C ATOM 432 NE ARG A 32 -13.015 -8.904 -7.764 1.00 0.00 N ATOM 433 CZ ARG A 32 -13.502 -9.774 -8.642 1.00 0.00 C ATOM 434 NH1 ARG A 32 -12.991 -9.845 -9.863 1.00 0.00 N ATOM 435 NH2 ARG A 32 -14.502 -10.575 -8.298 1.00 0.00 N ATOM 0 H ARG A 32 -10.893 -3.953 -6.821 1.00 0.00 H new ATOM 0 HA ARG A 32 -11.583 -5.459 -9.040 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -12.568 -5.154 -6.224 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -13.591 -6.043 -7.336 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -10.654 -6.689 -6.906 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -11.946 -7.433 -5.985 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -12.124 -7.461 -8.991 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -11.000 -8.556 -8.211 1.00 0.00 H new ATOM 0 HE ARG A 32 -13.431 -8.875 -6.833 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -12.222 -9.231 -10.130 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -13.367 -10.514 -10.535 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -14.897 -10.523 -7.359 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -14.876 -11.243 -8.972 1.00 0.00 H new ATOM 449 N GLU A 33 -13.522 -2.910 -8.596 1.00 0.00 N ATOM 450 CA GLU A 33 -14.637 -2.154 -9.154 1.00 0.00 C ATOM 451 C GLU A 33 -14.444 -1.923 -10.650 1.00 0.00 C ATOM 452 O GLU A 33 -15.405 -1.927 -11.419 1.00 0.00 O ATOM 453 CB GLU A 33 -14.783 -0.812 -8.434 1.00 0.00 C ATOM 454 CG GLU A 33 -15.255 -0.940 -6.995 1.00 0.00 C ATOM 455 CD GLU A 33 -16.766 -0.939 -6.875 1.00 0.00 C ATOM 456 OE1 GLU A 33 -17.426 -1.630 -7.679 1.00 0.00 O ATOM 457 OE2 GLU A 33 -17.289 -0.248 -5.976 1.00 0.00 O ATOM 0 H GLU A 33 -12.957 -2.394 -7.922 1.00 0.00 H new ATOM 0 HA GLU A 33 -15.546 -2.737 -9.009 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -13.823 -0.296 -8.448 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -15.488 -0.189 -8.984 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -14.861 -1.862 -6.568 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -14.847 -0.117 -6.408 1.00 0.00 H new ATOM 464 N TYR A 34 -13.195 -1.722 -11.054 1.00 0.00 N ATOM 465 CA TYR A 34 -12.874 -1.486 -12.457 1.00 0.00 C ATOM 466 C TYR A 34 -12.144 -2.683 -13.058 1.00 0.00 C ATOM 467 O TYR A 34 -11.724 -2.654 -14.215 1.00 0.00 O ATOM 468 CB TYR A 34 -12.018 -0.227 -12.602 1.00 0.00 C ATOM 469 CG TYR A 34 -12.386 0.871 -11.629 1.00 0.00 C ATOM 470 CD1 TYR A 34 -11.884 0.876 -10.334 1.00 0.00 C ATOM 471 CD2 TYR A 34 -13.236 1.904 -12.007 1.00 0.00 C ATOM 472 CE1 TYR A 34 -12.218 1.877 -9.442 1.00 0.00 C ATOM 473 CE2 TYR A 34 -13.575 2.909 -11.122 1.00 0.00 C ATOM 474 CZ TYR A 34 -13.064 2.891 -9.841 1.00 0.00 C ATOM 475 OH TYR A 34 -13.398 3.890 -8.956 1.00 0.00 O ATOM 0 H TYR A 34 -12.388 -1.718 -10.430 1.00 0.00 H new ATOM 0 HA TYR A 34 -13.810 -1.345 -12.998 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -10.970 -0.492 -12.459 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -12.115 0.153 -13.619 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -11.221 0.084 -10.019 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -13.638 1.921 -13.009 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -11.819 1.866 -8.438 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -14.237 3.705 -11.431 1.00 0.00 H new ATOM 0 HH TYR A 34 -14.001 4.527 -9.394 1.00 0.00 H new ATOM 485 N LYS A 35 -11.995 -3.737 -12.263 1.00 0.00 N ATOM 486 CA LYS A 35 -11.318 -4.947 -12.713 1.00 0.00 C ATOM 487 C LYS A 35 -9.853 -4.664 -13.032 1.00 0.00 C ATOM 488 O LYS A 35 -9.333 -5.112 -14.053 1.00 0.00 O ATOM 489 CB LYS A 35 -12.018 -5.519 -13.948 1.00 0.00 C ATOM 490 CG LYS A 35 -13.460 -5.924 -13.696 1.00 0.00 C ATOM 491 CD LYS A 35 -13.551 -7.076 -12.709 1.00 0.00 C ATOM 492 CE LYS A 35 -14.974 -7.601 -12.595 1.00 0.00 C ATOM 493 NZ LYS A 35 -15.839 -6.689 -11.795 1.00 0.00 N ATOM 0 H LYS A 35 -12.335 -3.777 -11.302 1.00 0.00 H new ATOM 0 HA LYS A 35 -11.362 -5.679 -11.906 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -11.992 -4.777 -14.746 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -11.462 -6.387 -14.301 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -14.017 -5.070 -13.312 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -13.928 -6.212 -14.637 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -12.889 -7.882 -13.027 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -13.204 -6.746 -11.730 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -15.398 -7.722 -13.592 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -14.961 -8.588 -12.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -16.489 -7.252 -11.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -15.244 -6.097 -11.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -16.388 -6.081 -12.435 1.00 0.00 H new ATOM 507 N MET A 36 -9.194 -3.919 -12.151 1.00 0.00 N ATOM 508 CA MET A 36 -7.788 -3.579 -12.338 1.00 0.00 C ATOM 509 C MET A 36 -7.076 -3.452 -10.995 1.00 0.00 C ATOM 510 O MET A 36 -7.716 -3.318 -9.952 1.00 0.00 O ATOM 511 CB MET A 36 -7.657 -2.272 -13.123 1.00 0.00 C ATOM 512 CG MET A 36 -8.379 -1.101 -12.477 1.00 0.00 C ATOM 513 SD MET A 36 -8.797 0.195 -13.659 1.00 0.00 S ATOM 514 CE MET A 36 -7.718 1.515 -13.111 1.00 0.00 C ATOM 0 H MET A 36 -9.611 -3.539 -11.301 1.00 0.00 H new ATOM 0 HA MET A 36 -7.318 -4.383 -12.904 1.00 0.00 H new ATOM 0 HB2 MET A 36 -6.601 -2.024 -13.227 1.00 0.00 H new ATOM 0 HB3 MET A 36 -8.050 -2.421 -14.129 1.00 0.00 H new ATOM 0 HG2 MET A 36 -9.291 -1.460 -12.000 1.00 0.00 H new ATOM 0 HG3 MET A 36 -7.752 -0.681 -11.691 1.00 0.00 H new ATOM 0 HE1 MET A 36 -7.248 1.984 -13.976 1.00 0.00 H new ATOM 0 HE2 MET A 36 -8.300 2.259 -12.567 1.00 0.00 H new ATOM 0 HE3 MET A 36 -6.948 1.107 -12.456 1.00 0.00 H new ATOM 524 N ASP A 37 -5.749 -3.496 -11.028 1.00 0.00 N ATOM 525 CA ASP A 37 -4.950 -3.385 -9.813 1.00 0.00 C ATOM 526 C ASP A 37 -5.073 -1.991 -9.207 1.00 0.00 C ATOM 527 O ASP A 37 -5.640 -1.084 -9.818 1.00 0.00 O ATOM 528 CB ASP A 37 -3.482 -3.697 -10.112 1.00 0.00 C ATOM 529 CG ASP A 37 -3.320 -4.887 -11.037 1.00 0.00 C ATOM 530 OD1 ASP A 37 -4.262 -5.703 -11.125 1.00 0.00 O ATOM 531 OD2 ASP A 37 -2.252 -5.003 -11.673 1.00 0.00 O ATOM 0 H ASP A 37 -5.204 -3.608 -11.883 1.00 0.00 H new ATOM 0 HA ASP A 37 -5.328 -4.110 -9.092 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -3.012 -2.823 -10.563 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -2.957 -3.893 -9.177 1.00 0.00 H new ATOM 536 N LEU A 38 -4.539 -1.826 -8.001 1.00 0.00 N ATOM 537 CA LEU A 38 -4.590 -0.542 -7.311 1.00 0.00 C ATOM 538 C LEU A 38 -3.308 0.251 -7.540 1.00 0.00 C ATOM 539 O LEU A 38 -2.217 -0.197 -7.185 1.00 0.00 O ATOM 540 CB LEU A 38 -4.811 -0.755 -5.812 1.00 0.00 C ATOM 541 CG LEU A 38 -6.194 -1.262 -5.402 1.00 0.00 C ATOM 542 CD1 LEU A 38 -6.100 -2.108 -4.142 1.00 0.00 C ATOM 543 CD2 LEU A 38 -7.149 -0.096 -5.195 1.00 0.00 C ATOM 0 H LEU A 38 -4.066 -2.565 -7.481 1.00 0.00 H new ATOM 0 HA LEU A 38 -5.425 0.028 -7.718 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.065 -1.464 -5.452 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.626 0.189 -5.300 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.585 -1.887 -6.205 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -7.094 -2.460 -3.865 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.450 -2.963 -4.326 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.689 -1.508 -3.330 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -8.128 -0.475 -4.904 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -6.764 0.555 -4.410 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -7.240 0.469 -6.123 1.00 0.00 H new ATOM 555 N TYR A 39 -3.446 1.431 -8.134 1.00 0.00 N ATOM 556 CA TYR A 39 -2.299 2.286 -8.411 1.00 0.00 C ATOM 557 C TYR A 39 -2.460 3.648 -7.742 1.00 0.00 C ATOM 558 O TYR A 39 -3.548 4.006 -7.290 1.00 0.00 O ATOM 559 CB TYR A 39 -2.122 2.465 -9.920 1.00 0.00 C ATOM 560 CG TYR A 39 -2.495 1.240 -10.723 1.00 0.00 C ATOM 561 CD1 TYR A 39 -3.826 0.925 -10.968 1.00 0.00 C ATOM 562 CD2 TYR A 39 -1.518 0.396 -11.236 1.00 0.00 C ATOM 563 CE1 TYR A 39 -4.173 -0.194 -11.701 1.00 0.00 C ATOM 564 CE2 TYR A 39 -1.855 -0.724 -11.971 1.00 0.00 C ATOM 565 CZ TYR A 39 -3.184 -1.015 -12.200 1.00 0.00 C ATOM 566 OH TYR A 39 -3.523 -2.131 -12.931 1.00 0.00 O ATOM 0 H TYR A 39 -4.342 1.817 -8.433 1.00 0.00 H new ATOM 0 HA TYR A 39 -1.411 1.803 -8.002 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -2.731 3.306 -10.252 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -1.083 2.723 -10.127 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -4.603 1.566 -10.579 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -0.477 0.619 -11.057 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -5.213 -0.424 -11.882 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -1.082 -1.368 -12.364 1.00 0.00 H new ATOM 0 HH TYR A 39 -2.709 -2.600 -13.209 1.00 0.00 H new ATOM 576 N VAL A 40 -1.368 4.404 -7.683 1.00 0.00 N ATOM 577 CA VAL A 40 -1.387 5.727 -7.071 1.00 0.00 C ATOM 578 C VAL A 40 -1.933 6.772 -8.038 1.00 0.00 C ATOM 579 O VAL A 40 -1.273 7.139 -9.010 1.00 0.00 O ATOM 580 CB VAL A 40 0.020 6.154 -6.613 1.00 0.00 C ATOM 581 CG1 VAL A 40 -0.044 7.460 -5.836 1.00 0.00 C ATOM 582 CG2 VAL A 40 0.663 5.057 -5.777 1.00 0.00 C ATOM 0 H VAL A 40 -0.459 4.123 -8.052 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.041 5.664 -6.201 1.00 0.00 H new ATOM 0 HB VAL A 40 0.638 6.316 -7.497 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.960 7.745 -5.521 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.461 8.241 -6.471 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.677 7.330 -4.958 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.657 5.375 -5.462 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.048 4.862 -4.898 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.745 4.147 -6.372 1.00 0.00 H new ATOM 592 N LEU A 41 -3.143 7.248 -7.764 1.00 0.00 N ATOM 593 CA LEU A 41 -3.780 8.252 -8.609 1.00 0.00 C ATOM 594 C LEU A 41 -2.914 9.503 -8.714 1.00 0.00 C ATOM 595 O LEU A 41 -2.527 9.913 -9.809 1.00 0.00 O ATOM 596 CB LEU A 41 -5.157 8.617 -8.052 1.00 0.00 C ATOM 597 CG LEU A 41 -6.097 9.347 -9.012 1.00 0.00 C ATOM 598 CD1 LEU A 41 -5.428 10.595 -9.568 1.00 0.00 C ATOM 599 CD2 LEU A 41 -6.529 8.424 -10.142 1.00 0.00 C ATOM 0 H LEU A 41 -3.703 6.955 -6.963 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.899 7.829 -9.607 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.647 7.701 -7.721 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -5.016 9.240 -7.169 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.985 9.651 -8.458 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -6.112 11.102 -10.249 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -5.170 11.265 -8.748 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.523 10.314 -10.106 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -7.198 8.961 -10.815 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.651 8.089 -10.694 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -7.049 7.560 -9.728 1.00 0.00 H new ATOM 611 N ARG A 42 -2.612 10.106 -7.568 1.00 0.00 N ATOM 612 CA ARG A 42 -1.790 11.310 -7.531 1.00 0.00 C ATOM 613 C ARG A 42 -1.179 11.509 -6.147 1.00 0.00 C ATOM 614 O ARG A 42 -1.761 11.111 -5.137 1.00 0.00 O ATOM 615 CB ARG A 42 -2.625 12.534 -7.913 1.00 0.00 C ATOM 616 CG ARG A 42 -2.166 13.817 -7.241 1.00 0.00 C ATOM 617 CD ARG A 42 -2.818 13.997 -5.879 1.00 0.00 C ATOM 618 NE ARG A 42 -4.241 14.308 -5.990 1.00 0.00 N ATOM 619 CZ ARG A 42 -5.001 14.652 -4.957 1.00 0.00 C ATOM 620 NH1 ARG A 42 -4.477 14.729 -3.741 1.00 0.00 N ATOM 621 NH2 ARG A 42 -6.288 14.919 -5.138 1.00 0.00 N ATOM 0 H ARG A 42 -2.924 9.780 -6.653 1.00 0.00 H new ATOM 0 HA ARG A 42 -0.981 11.191 -8.252 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -2.587 12.666 -8.994 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -3.667 12.349 -7.651 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -1.082 13.802 -7.127 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -2.408 14.669 -7.877 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -2.691 13.087 -5.293 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -2.313 14.798 -5.338 1.00 0.00 H new ATOM 0 HE ARG A 42 -4.675 14.258 -6.912 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -3.488 14.524 -3.598 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -5.063 14.993 -2.949 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -6.695 14.860 -6.072 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -6.871 15.183 -4.344 1.00 0.00 H new ATOM 635 N LEU A 43 -0.004 12.126 -6.109 1.00 0.00 N ATOM 636 CA LEU A 43 0.687 12.378 -4.849 1.00 0.00 C ATOM 637 C LEU A 43 0.539 13.836 -4.428 1.00 0.00 C ATOM 638 O LEU A 43 0.397 14.724 -5.269 1.00 0.00 O ATOM 639 CB LEU A 43 2.169 12.021 -4.977 1.00 0.00 C ATOM 640 CG LEU A 43 2.551 10.590 -4.594 1.00 0.00 C ATOM 641 CD1 LEU A 43 4.020 10.333 -4.889 1.00 0.00 C ATOM 642 CD2 LEU A 43 2.246 10.332 -3.126 1.00 0.00 C ATOM 0 H LEU A 43 0.491 12.461 -6.936 1.00 0.00 H new ATOM 0 HA LEU A 43 0.233 11.750 -4.083 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.476 12.194 -6.009 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.743 12.708 -4.354 1.00 0.00 H new ATOM 0 HG LEU A 43 1.956 9.902 -5.194 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.274 9.310 -4.610 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.208 10.476 -5.953 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.633 11.028 -4.316 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.524 9.309 -2.871 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.815 11.027 -2.509 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.181 10.474 -2.945 1.00 0.00 H new ATOM 654 N ALA A 44 0.573 14.076 -3.122 1.00 0.00 N ATOM 655 CA ALA A 44 0.447 15.428 -2.590 1.00 0.00 C ATOM 656 C ALA A 44 1.801 16.127 -2.539 1.00 0.00 C ATOM 657 O ALA A 44 2.712 15.685 -1.840 1.00 0.00 O ATOM 658 CB ALA A 44 -0.184 15.393 -1.205 1.00 0.00 C ATOM 0 H ALA A 44 0.687 13.352 -2.412 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.200 15.996 -3.258 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.272 16.409 -0.820 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.174 14.941 -1.268 1.00 0.00 H new ATOM 0 HB3 ALA A 44 0.442 14.804 -0.535 1.00 0.00 H new ATOM 664 N GLU A 45 1.925 17.220 -3.285 1.00 0.00 N ATOM 665 CA GLU A 45 3.170 17.979 -3.325 1.00 0.00 C ATOM 666 C GLU A 45 3.545 18.483 -1.935 1.00 0.00 C ATOM 667 O GLU A 45 4.699 18.825 -1.677 1.00 0.00 O ATOM 668 CB GLU A 45 3.043 19.159 -4.291 1.00 0.00 C ATOM 669 CG GLU A 45 2.115 20.255 -3.794 1.00 0.00 C ATOM 670 CD GLU A 45 2.147 21.490 -4.673 1.00 0.00 C ATOM 671 OE1 GLU A 45 3.201 22.159 -4.716 1.00 0.00 O ATOM 672 OE2 GLU A 45 1.120 21.787 -5.318 1.00 0.00 O ATOM 0 H GLU A 45 1.180 17.600 -3.869 1.00 0.00 H new ATOM 0 HA GLU A 45 3.959 17.315 -3.676 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.032 19.583 -4.465 1.00 0.00 H new ATOM 0 HB3 GLU A 45 2.679 18.794 -5.251 1.00 0.00 H new ATOM 0 HG2 GLU A 45 1.096 19.871 -3.751 1.00 0.00 H new ATOM 0 HG3 GLU A 45 2.396 20.530 -2.777 1.00 0.00 H new ATOM 679 N ASP A 46 2.561 18.528 -1.043 1.00 0.00 N ATOM 680 CA ASP A 46 2.786 18.990 0.321 1.00 0.00 C ATOM 681 C ASP A 46 2.408 17.910 1.330 1.00 0.00 C ATOM 682 O ASP A 46 2.053 18.208 2.470 1.00 0.00 O ATOM 683 CB ASP A 46 1.981 20.262 0.591 1.00 0.00 C ATOM 684 CG ASP A 46 2.504 21.036 1.785 1.00 0.00 C ATOM 685 OD1 ASP A 46 3.734 21.029 2.006 1.00 0.00 O ATOM 686 OD2 ASP A 46 1.684 21.650 2.499 1.00 0.00 O ATOM 0 H ASP A 46 1.600 18.250 -1.241 1.00 0.00 H new ATOM 0 HA ASP A 46 3.848 19.211 0.433 1.00 0.00 H new ATOM 0 HB2 ASP A 46 2.009 20.900 -0.292 1.00 0.00 H new ATOM 0 HB3 ASP A 46 0.937 19.998 0.761 1.00 0.00 H new ATOM 691 N GLY A 47 2.485 16.654 0.902 1.00 0.00 N ATOM 692 CA GLY A 47 2.146 15.549 1.780 1.00 0.00 C ATOM 693 C GLY A 47 3.368 14.779 2.240 1.00 0.00 C ATOM 694 O GLY A 47 4.463 14.928 1.698 1.00 0.00 O ATOM 0 H GLY A 47 2.776 16.382 -0.037 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.612 15.931 2.650 1.00 0.00 H new ATOM 0 HA3 GLY A 47 1.467 14.872 1.261 1.00 0.00 H new ATOM 698 N PRO A 48 3.188 13.933 3.266 1.00 0.00 N ATOM 699 CA PRO A 48 4.274 13.121 3.822 1.00 0.00 C ATOM 700 C PRO A 48 4.723 12.021 2.867 1.00 0.00 C ATOM 701 O PRO A 48 5.855 11.544 2.943 1.00 0.00 O ATOM 702 CB PRO A 48 3.652 12.513 5.082 1.00 0.00 C ATOM 703 CG PRO A 48 2.187 12.497 4.812 1.00 0.00 C ATOM 704 CD PRO A 48 1.910 13.705 3.960 1.00 0.00 C ATOM 0 HA PRO A 48 5.169 13.713 4.014 1.00 0.00 H new ATOM 0 HB2 PRO A 48 4.032 11.508 5.265 1.00 0.00 H new ATOM 0 HB3 PRO A 48 3.885 13.108 5.965 1.00 0.00 H new ATOM 0 HG2 PRO A 48 1.895 11.581 4.298 1.00 0.00 H new ATOM 0 HG3 PRO A 48 1.618 12.536 5.741 1.00 0.00 H new ATOM 0 HD2 PRO A 48 1.098 13.523 3.256 1.00 0.00 H new ATOM 0 HD3 PRO A 48 1.622 14.565 4.564 1.00 0.00 H new ATOM 712 N ALA A 49 3.829 11.623 1.967 1.00 0.00 N ATOM 713 CA ALA A 49 4.136 10.581 0.995 1.00 0.00 C ATOM 714 C ALA A 49 5.152 11.069 -0.031 1.00 0.00 C ATOM 715 O ALA A 49 6.240 10.506 -0.158 1.00 0.00 O ATOM 716 CB ALA A 49 2.864 10.116 0.302 1.00 0.00 C ATOM 0 H ALA A 49 2.887 12.006 1.891 1.00 0.00 H new ATOM 0 HA ALA A 49 4.575 9.738 1.529 1.00 0.00 H new ATOM 0 HB1 ALA A 49 3.107 9.338 -0.421 1.00 0.00 H new ATOM 0 HB2 ALA A 49 2.170 9.719 1.043 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.402 10.958 -0.213 1.00 0.00 H new ATOM 722 N ILE A 50 4.790 12.118 -0.762 1.00 0.00 N ATOM 723 CA ILE A 50 5.672 12.682 -1.777 1.00 0.00 C ATOM 724 C ILE A 50 7.052 12.981 -1.202 1.00 0.00 C ATOM 725 O ILE A 50 8.024 13.132 -1.942 1.00 0.00 O ATOM 726 CB ILE A 50 5.086 13.974 -2.376 1.00 0.00 C ATOM 727 CG1 ILE A 50 5.548 14.145 -3.825 1.00 0.00 C ATOM 728 CG2 ILE A 50 5.493 15.178 -1.539 1.00 0.00 C ATOM 729 CD1 ILE A 50 4.613 14.991 -4.661 1.00 0.00 C ATOM 0 H ILE A 50 3.893 12.594 -0.671 1.00 0.00 H new ATOM 0 HA ILE A 50 5.764 11.935 -2.565 1.00 0.00 H new ATOM 0 HB ILE A 50 3.998 13.901 -2.367 1.00 0.00 H new ATOM 0 HG12 ILE A 50 6.539 14.599 -3.831 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.645 13.162 -4.285 1.00 0.00 H new ATOM 0 HG21 ILE A 50 5.071 16.084 -1.975 1.00 0.00 H new ATOM 0 HG22 ILE A 50 5.120 15.057 -0.522 1.00 0.00 H new ATOM 0 HG23 ILE A 50 6.580 15.257 -1.520 1.00 0.00 H new ATOM 0 HD11 ILE A 50 5.003 15.070 -5.676 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.627 14.527 -4.686 1.00 0.00 H new ATOM 0 HD13 ILE A 50 4.535 15.987 -4.224 1.00 0.00 H new ATOM 741 N ARG A 51 7.130 13.064 0.122 1.00 0.00 N ATOM 742 CA ARG A 51 8.392 13.344 0.797 1.00 0.00 C ATOM 743 C ARG A 51 9.165 12.056 1.061 1.00 0.00 C ATOM 744 O ARG A 51 10.389 12.068 1.177 1.00 0.00 O ATOM 745 CB ARG A 51 8.137 14.079 2.114 1.00 0.00 C ATOM 746 CG ARG A 51 7.616 15.495 1.931 1.00 0.00 C ATOM 747 CD ARG A 51 7.096 16.071 3.239 1.00 0.00 C ATOM 748 NE ARG A 51 8.181 16.437 4.145 1.00 0.00 N ATOM 749 CZ ARG A 51 8.926 17.526 3.997 1.00 0.00 C ATOM 750 NH1 ARG A 51 8.705 18.352 2.983 1.00 0.00 N ATOM 751 NH2 ARG A 51 9.895 17.792 4.864 1.00 0.00 N ATOM 0 H ARG A 51 6.335 12.941 0.749 1.00 0.00 H new ATOM 0 HA ARG A 51 8.992 13.979 0.145 1.00 0.00 H new ATOM 0 HB2 ARG A 51 7.419 13.510 2.704 1.00 0.00 H new ATOM 0 HB3 ARG A 51 9.064 14.113 2.686 1.00 0.00 H new ATOM 0 HG2 ARG A 51 8.413 16.130 1.544 1.00 0.00 H new ATOM 0 HG3 ARG A 51 6.818 15.497 1.189 1.00 0.00 H new ATOM 0 HD2 ARG A 51 6.485 16.950 3.031 1.00 0.00 H new ATOM 0 HD3 ARG A 51 6.449 15.341 3.725 1.00 0.00 H new ATOM 0 HE ARG A 51 8.377 15.822 4.935 1.00 0.00 H new ATOM 0 HH11 ARG A 51 7.961 18.151 2.315 1.00 0.00 H new ATOM 0 HH12 ARG A 51 9.279 19.188 2.872 1.00 0.00 H new ATOM 0 HH21 ARG A 51 10.068 17.159 5.645 1.00 0.00 H new ATOM 0 HH22 ARG A 51 10.467 18.629 4.749 1.00 0.00 H new ATOM 765 N ASN A 52 8.440 10.946 1.157 1.00 0.00 N ATOM 766 CA ASN A 52 9.057 9.649 1.409 1.00 0.00 C ATOM 767 C ASN A 52 9.960 9.241 0.249 1.00 0.00 C ATOM 768 O ASN A 52 11.159 9.032 0.425 1.00 0.00 O ATOM 769 CB ASN A 52 7.982 8.583 1.633 1.00 0.00 C ATOM 770 CG ASN A 52 8.373 7.238 1.053 1.00 0.00 C ATOM 771 OD1 ASN A 52 9.453 6.718 1.335 1.00 0.00 O ATOM 772 ND2 ASN A 52 7.493 6.666 0.239 1.00 0.00 N ATOM 0 H ASN A 52 7.425 10.919 1.064 1.00 0.00 H new ATOM 0 HA ASN A 52 9.667 9.734 2.308 1.00 0.00 H new ATOM 0 HB2 ASN A 52 7.798 8.475 2.702 1.00 0.00 H new ATOM 0 HB3 ASN A 52 7.047 8.913 1.180 1.00 0.00 H new ATOM 0 HD21 ASN A 52 7.700 5.760 -0.180 1.00 0.00 H new ATOM 0 HD22 ASN A 52 6.610 7.133 0.033 1.00 0.00 H new ATOM 779 N GLY A 53 9.373 9.131 -0.939 1.00 0.00 N ATOM 780 CA GLY A 53 10.138 8.749 -2.112 1.00 0.00 C ATOM 781 C GLY A 53 9.922 7.299 -2.499 1.00 0.00 C ATOM 782 O GLY A 53 9.556 7.002 -3.636 1.00 0.00 O ATOM 0 H GLY A 53 8.382 9.300 -1.110 1.00 0.00 H new ATOM 0 HA2 GLY A 53 9.859 9.390 -2.948 1.00 0.00 H new ATOM 0 HA3 GLY A 53 11.198 8.917 -1.921 1.00 0.00 H new ATOM 786 N ARG A 54 10.149 6.395 -1.552 1.00 0.00 N ATOM 787 CA ARG A 54 9.979 4.969 -1.801 1.00 0.00 C ATOM 788 C ARG A 54 8.773 4.714 -2.701 1.00 0.00 C ATOM 789 O ARG A 54 8.780 3.795 -3.519 1.00 0.00 O ATOM 790 CB ARG A 54 9.812 4.215 -0.481 1.00 0.00 C ATOM 791 CG ARG A 54 11.129 3.791 0.149 1.00 0.00 C ATOM 792 CD ARG A 54 10.917 2.751 1.238 1.00 0.00 C ATOM 793 NE ARG A 54 12.082 2.625 2.110 1.00 0.00 N ATOM 794 CZ ARG A 54 13.136 1.869 1.823 1.00 0.00 C ATOM 795 NH1 ARG A 54 13.171 1.176 0.693 1.00 0.00 N ATOM 796 NH2 ARG A 54 14.158 1.806 2.667 1.00 0.00 N ATOM 0 H ARG A 54 10.451 6.625 -0.605 1.00 0.00 H new ATOM 0 HA ARG A 54 10.873 4.606 -2.308 1.00 0.00 H new ATOM 0 HB2 ARG A 54 9.269 4.847 0.222 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.200 3.330 -0.653 1.00 0.00 H new ATOM 0 HG2 ARG A 54 11.787 3.386 -0.619 1.00 0.00 H new ATOM 0 HG3 ARG A 54 11.630 4.663 0.570 1.00 0.00 H new ATOM 0 HD2 ARG A 54 10.046 3.023 1.834 1.00 0.00 H new ATOM 0 HD3 ARG A 54 10.701 1.786 0.780 1.00 0.00 H new ATOM 0 HE ARG A 54 12.087 3.146 2.987 1.00 0.00 H new ATOM 0 HH11 ARG A 54 12.387 1.223 0.042 1.00 0.00 H new ATOM 0 HH12 ARG A 54 13.982 0.596 0.475 1.00 0.00 H new ATOM 0 HH21 ARG A 54 14.135 2.338 3.537 1.00 0.00 H new ATOM 0 HH22 ARG A 54 14.967 1.225 2.446 1.00 0.00 H new ATOM 810 N MET A 55 7.740 5.534 -2.542 1.00 0.00 N ATOM 811 CA MET A 55 6.527 5.397 -3.340 1.00 0.00 C ATOM 812 C MET A 55 6.236 6.681 -4.111 1.00 0.00 C ATOM 813 O MET A 55 6.372 7.782 -3.576 1.00 0.00 O ATOM 814 CB MET A 55 5.338 5.046 -2.444 1.00 0.00 C ATOM 815 CG MET A 55 4.615 6.262 -1.888 1.00 0.00 C ATOM 816 SD MET A 55 3.079 5.833 -1.047 1.00 0.00 S ATOM 817 CE MET A 55 1.870 6.467 -2.206 1.00 0.00 C ATOM 0 H MET A 55 7.718 6.300 -1.869 1.00 0.00 H new ATOM 0 HA MET A 55 6.683 4.591 -4.057 1.00 0.00 H new ATOM 0 HB2 MET A 55 4.631 4.442 -3.013 1.00 0.00 H new ATOM 0 HB3 MET A 55 5.688 4.431 -1.615 1.00 0.00 H new ATOM 0 HG2 MET A 55 5.272 6.784 -1.192 1.00 0.00 H new ATOM 0 HG3 MET A 55 4.398 6.954 -2.702 1.00 0.00 H new ATOM 0 HE1 MET A 55 0.917 5.960 -2.051 1.00 0.00 H new ATOM 0 HE2 MET A 55 1.741 7.538 -2.048 1.00 0.00 H new ATOM 0 HE3 MET A 55 2.214 6.289 -3.225 1.00 0.00 H new ATOM 827 N ARG A 56 5.834 6.533 -5.369 1.00 0.00 N ATOM 828 CA ARG A 56 5.526 7.681 -6.213 1.00 0.00 C ATOM 829 C ARG A 56 4.191 7.488 -6.926 1.00 0.00 C ATOM 830 O ARG A 56 3.557 6.440 -6.807 1.00 0.00 O ATOM 831 CB ARG A 56 6.638 7.900 -7.240 1.00 0.00 C ATOM 832 CG ARG A 56 7.722 8.856 -6.770 1.00 0.00 C ATOM 833 CD ARG A 56 8.643 8.198 -5.754 1.00 0.00 C ATOM 834 NE ARG A 56 9.992 8.756 -5.796 1.00 0.00 N ATOM 835 CZ ARG A 56 10.302 9.963 -5.337 1.00 0.00 C ATOM 836 NH1 ARG A 56 9.365 10.734 -4.804 1.00 0.00 N ATOM 837 NH2 ARG A 56 11.553 10.401 -5.410 1.00 0.00 N ATOM 0 H ARG A 56 5.714 5.629 -5.826 1.00 0.00 H new ATOM 0 HA ARG A 56 5.454 8.561 -5.574 1.00 0.00 H new ATOM 0 HB2 ARG A 56 7.093 6.939 -7.481 1.00 0.00 H new ATOM 0 HB3 ARG A 56 6.200 8.285 -8.161 1.00 0.00 H new ATOM 0 HG2 ARG A 56 8.306 9.195 -7.626 1.00 0.00 H new ATOM 0 HG3 ARG A 56 7.262 9.740 -6.327 1.00 0.00 H new ATOM 0 HD2 ARG A 56 8.229 8.325 -4.754 1.00 0.00 H new ATOM 0 HD3 ARG A 56 8.688 7.126 -5.946 1.00 0.00 H new ATOM 0 HE ARG A 56 10.737 8.188 -6.200 1.00 0.00 H new ATOM 0 HH11 ARG A 56 8.403 10.401 -4.745 1.00 0.00 H new ATOM 0 HH12 ARG A 56 9.606 11.661 -4.452 1.00 0.00 H new ATOM 0 HH21 ARG A 56 12.277 9.810 -5.819 1.00 0.00 H new ATOM 0 HH22 ARG A 56 11.790 11.328 -5.057 1.00 0.00 H new ATOM 851 N VAL A 57 3.769 8.507 -7.669 1.00 0.00 N ATOM 852 CA VAL A 57 2.511 8.450 -8.402 1.00 0.00 C ATOM 853 C VAL A 57 2.698 7.794 -9.765 1.00 0.00 C ATOM 854 O VAL A 57 3.513 8.238 -10.572 1.00 0.00 O ATOM 855 CB VAL A 57 1.911 9.855 -8.599 1.00 0.00 C ATOM 856 CG1 VAL A 57 3.013 10.903 -8.657 1.00 0.00 C ATOM 857 CG2 VAL A 57 1.056 9.898 -9.856 1.00 0.00 C ATOM 0 H VAL A 57 4.281 9.382 -7.779 1.00 0.00 H new ATOM 0 HA VAL A 57 1.824 7.850 -7.804 1.00 0.00 H new ATOM 0 HB VAL A 57 1.272 10.081 -7.745 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.570 11.889 -8.797 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.579 10.888 -7.726 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.680 10.684 -9.491 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.640 10.898 -9.979 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.670 9.651 -10.722 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.244 9.176 -9.769 1.00 0.00 H new ATOM 867 N GLY A 58 1.936 6.734 -10.015 1.00 0.00 N ATOM 868 CA GLY A 58 2.033 6.033 -11.283 1.00 0.00 C ATOM 869 C GLY A 58 2.493 4.598 -11.118 1.00 0.00 C ATOM 870 O GLY A 58 2.611 3.861 -12.097 1.00 0.00 O ATOM 0 H GLY A 58 1.253 6.348 -9.363 1.00 0.00 H new ATOM 0 HA2 GLY A 58 1.061 6.045 -11.777 1.00 0.00 H new ATOM 0 HA3 GLY A 58 2.729 6.562 -11.935 1.00 0.00 H new ATOM 874 N ASP A 59 2.755 4.201 -9.878 1.00 0.00 N ATOM 875 CA ASP A 59 3.205 2.845 -9.588 1.00 0.00 C ATOM 876 C ASP A 59 2.018 1.915 -9.359 1.00 0.00 C ATOM 877 O ASP A 59 0.878 2.364 -9.253 1.00 0.00 O ATOM 878 CB ASP A 59 4.118 2.839 -8.361 1.00 0.00 C ATOM 879 CG ASP A 59 5.310 3.761 -8.521 1.00 0.00 C ATOM 880 OD1 ASP A 59 5.099 4.967 -8.770 1.00 0.00 O ATOM 881 OD2 ASP A 59 6.455 3.278 -8.397 1.00 0.00 O ATOM 0 H ASP A 59 2.663 4.799 -9.057 1.00 0.00 H new ATOM 0 HA ASP A 59 3.765 2.483 -10.450 1.00 0.00 H new ATOM 0 HB2 ASP A 59 3.545 3.140 -7.484 1.00 0.00 H new ATOM 0 HB3 ASP A 59 4.470 1.824 -8.179 1.00 0.00 H new ATOM 886 N GLN A 60 2.295 0.617 -9.285 1.00 0.00 N ATOM 887 CA GLN A 60 1.249 -0.376 -9.070 1.00 0.00 C ATOM 888 C GLN A 60 1.392 -1.030 -7.700 1.00 0.00 C ATOM 889 O GLN A 60 2.421 -1.634 -7.395 1.00 0.00 O ATOM 890 CB GLN A 60 1.297 -1.443 -10.166 1.00 0.00 C ATOM 891 CG GLN A 60 0.080 -2.354 -10.181 1.00 0.00 C ATOM 892 CD GLN A 60 0.258 -3.580 -9.308 1.00 0.00 C ATOM 893 OE1 GLN A 60 1.234 -4.318 -9.445 1.00 0.00 O ATOM 894 NE2 GLN A 60 -0.687 -3.804 -8.402 1.00 0.00 N ATOM 0 H GLN A 60 3.234 0.229 -9.371 1.00 0.00 H new ATOM 0 HA GLN A 60 0.286 0.133 -9.110 1.00 0.00 H new ATOM 0 HB2 GLN A 60 1.386 -0.953 -11.135 1.00 0.00 H new ATOM 0 HB3 GLN A 60 2.193 -2.049 -10.032 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -0.792 -1.795 -9.842 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -0.121 -2.668 -11.205 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -1.479 -3.166 -8.323 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -0.621 -4.614 -7.785 1.00 0.00 H new ATOM 903 N ILE A 61 0.355 -0.907 -6.880 1.00 0.00 N ATOM 904 CA ILE A 61 0.365 -1.487 -5.543 1.00 0.00 C ATOM 905 C ILE A 61 -0.177 -2.912 -5.557 1.00 0.00 C ATOM 906 O ILE A 61 -1.250 -3.172 -6.102 1.00 0.00 O ATOM 907 CB ILE A 61 -0.464 -0.644 -4.556 1.00 0.00 C ATOM 908 CG1 ILE A 61 0.006 0.812 -4.575 1.00 0.00 C ATOM 909 CG2 ILE A 61 -0.364 -1.221 -3.152 1.00 0.00 C ATOM 910 CD1 ILE A 61 -1.061 1.797 -4.153 1.00 0.00 C ATOM 0 H ILE A 61 -0.504 -0.411 -7.118 1.00 0.00 H new ATOM 0 HA ILE A 61 1.404 -1.499 -5.213 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.509 -0.673 -4.865 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.867 0.916 -3.914 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.344 1.063 -5.580 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -0.955 -0.614 -2.466 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.743 -2.243 -3.151 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.678 -1.220 -2.832 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.657 2.809 -4.190 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.914 1.721 -4.828 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.382 1.572 -3.136 1.00 0.00 H new ATOM 922 N ILE A 62 0.570 -3.830 -4.954 1.00 0.00 N ATOM 923 CA ILE A 62 0.162 -5.228 -4.895 1.00 0.00 C ATOM 924 C ILE A 62 -0.160 -5.647 -3.465 1.00 0.00 C ATOM 925 O ILE A 62 -0.771 -6.691 -3.237 1.00 0.00 O ATOM 926 CB ILE A 62 1.255 -6.157 -5.457 1.00 0.00 C ATOM 927 CG1 ILE A 62 2.635 -5.521 -5.282 1.00 0.00 C ATOM 928 CG2 ILE A 62 0.988 -6.463 -6.923 1.00 0.00 C ATOM 929 CD1 ILE A 62 3.002 -4.560 -6.391 1.00 0.00 C ATOM 0 H ILE A 62 1.461 -3.631 -4.499 1.00 0.00 H new ATOM 0 HA ILE A 62 -0.734 -5.322 -5.508 1.00 0.00 H new ATOM 0 HB ILE A 62 1.235 -7.095 -4.901 1.00 0.00 H new ATOM 0 HG12 ILE A 62 2.664 -4.992 -4.329 1.00 0.00 H new ATOM 0 HG13 ILE A 62 3.386 -6.309 -5.232 1.00 0.00 H new ATOM 0 HG21 ILE A 62 1.769 -7.120 -7.306 1.00 0.00 H new ATOM 0 HG22 ILE A 62 0.020 -6.954 -7.022 1.00 0.00 H new ATOM 0 HG23 ILE A 62 0.984 -5.534 -7.494 1.00 0.00 H new ATOM 0 HD11 ILE A 62 3.993 -4.147 -6.202 1.00 0.00 H new ATOM 0 HD12 ILE A 62 3.005 -5.089 -7.344 1.00 0.00 H new ATOM 0 HD13 ILE A 62 2.273 -3.751 -6.427 1.00 0.00 H new ATOM 941 N GLU A 63 0.253 -4.825 -2.506 1.00 0.00 N ATOM 942 CA GLU A 63 0.007 -5.111 -1.097 1.00 0.00 C ATOM 943 C GLU A 63 -0.360 -3.837 -0.340 1.00 0.00 C ATOM 944 O GLU A 63 -0.045 -2.730 -0.778 1.00 0.00 O ATOM 945 CB GLU A 63 1.240 -5.758 -0.462 1.00 0.00 C ATOM 946 CG GLU A 63 0.953 -6.440 0.865 1.00 0.00 C ATOM 947 CD GLU A 63 2.203 -7.006 1.512 1.00 0.00 C ATOM 948 OE1 GLU A 63 3.015 -6.212 2.031 1.00 0.00 O ATOM 949 OE2 GLU A 63 2.368 -8.244 1.498 1.00 0.00 O ATOM 0 H GLU A 63 0.759 -3.956 -2.678 1.00 0.00 H new ATOM 0 HA GLU A 63 -0.831 -5.805 -1.034 1.00 0.00 H new ATOM 0 HB2 GLU A 63 1.654 -6.490 -1.155 1.00 0.00 H new ATOM 0 HB3 GLU A 63 2.004 -4.995 -0.311 1.00 0.00 H new ATOM 0 HG2 GLU A 63 0.489 -5.725 1.544 1.00 0.00 H new ATOM 0 HG3 GLU A 63 0.234 -7.244 0.708 1.00 0.00 H new ATOM 956 N ILE A 64 -1.027 -4.004 0.797 1.00 0.00 N ATOM 957 CA ILE A 64 -1.436 -2.869 1.615 1.00 0.00 C ATOM 958 C ILE A 64 -1.399 -3.219 3.099 1.00 0.00 C ATOM 959 O ILE A 64 -1.875 -4.277 3.509 1.00 0.00 O ATOM 960 CB ILE A 64 -2.854 -2.392 1.247 1.00 0.00 C ATOM 961 CG1 ILE A 64 -2.870 -1.820 -0.172 1.00 0.00 C ATOM 962 CG2 ILE A 64 -3.339 -1.354 2.248 1.00 0.00 C ATOM 963 CD1 ILE A 64 -4.254 -1.444 -0.656 1.00 0.00 C ATOM 0 H ILE A 64 -1.295 -4.914 1.172 1.00 0.00 H new ATOM 0 HA ILE A 64 -0.728 -2.065 1.416 1.00 0.00 H new ATOM 0 HB ILE A 64 -3.530 -3.246 1.282 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.230 -0.939 -0.207 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -2.441 -2.553 -0.856 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -4.342 -1.026 1.975 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.359 -1.792 3.246 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -2.663 -0.499 2.241 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -4.190 -1.046 -1.669 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -4.893 -2.327 -0.653 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -4.678 -0.688 0.005 1.00 0.00 H new ATOM 975 N ASN A 65 -0.832 -2.322 3.899 1.00 0.00 N ATOM 976 CA ASN A 65 -0.734 -2.536 5.338 1.00 0.00 C ATOM 977 C ASN A 65 -0.278 -3.958 5.647 1.00 0.00 C ATOM 978 O ASN A 65 -0.586 -4.504 6.706 1.00 0.00 O ATOM 979 CB ASN A 65 -2.082 -2.263 6.008 1.00 0.00 C ATOM 980 CG ASN A 65 -2.239 -0.813 6.423 1.00 0.00 C ATOM 981 OD1 ASN A 65 -1.254 -0.091 6.581 1.00 0.00 O ATOM 982 ND2 ASN A 65 -3.481 -0.380 6.601 1.00 0.00 N ATOM 0 H ASN A 65 -0.434 -1.441 3.575 1.00 0.00 H new ATOM 0 HA ASN A 65 0.008 -1.842 5.734 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -2.886 -2.531 5.323 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -2.185 -2.902 6.885 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -3.649 0.587 6.880 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -4.267 -1.014 6.459 1.00 0.00 H new ATOM 989 N GLY A 66 0.459 -4.554 4.714 1.00 0.00 N ATOM 990 CA GLY A 66 0.946 -5.907 4.906 1.00 0.00 C ATOM 991 C GLY A 66 -0.105 -6.952 4.590 1.00 0.00 C ATOM 992 O GLY A 66 -0.124 -8.025 5.192 1.00 0.00 O ATOM 0 H GLY A 66 0.727 -4.124 3.829 1.00 0.00 H new ATOM 0 HA2 GLY A 66 1.818 -6.069 4.272 1.00 0.00 H new ATOM 0 HA3 GLY A 66 1.276 -6.028 5.938 1.00 0.00 H new ATOM 996 N GLU A 67 -0.984 -6.637 3.643 1.00 0.00 N ATOM 997 CA GLU A 67 -2.045 -7.557 3.250 1.00 0.00 C ATOM 998 C GLU A 67 -2.103 -7.706 1.733 1.00 0.00 C ATOM 999 O GLU A 67 -1.921 -6.736 0.996 1.00 0.00 O ATOM 1000 CB GLU A 67 -3.396 -7.068 3.778 1.00 0.00 C ATOM 1001 CG GLU A 67 -4.158 -6.202 2.789 1.00 0.00 C ATOM 1002 CD GLU A 67 -5.557 -5.864 3.266 1.00 0.00 C ATOM 1003 OE1 GLU A 67 -5.689 -5.353 4.398 1.00 0.00 O ATOM 1004 OE2 GLU A 67 -6.518 -6.111 2.509 1.00 0.00 O ATOM 0 H GLU A 67 -0.982 -5.753 3.135 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.824 -8.532 3.685 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -4.008 -7.931 4.040 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -3.235 -6.502 4.695 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -3.604 -5.279 2.618 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -4.220 -6.719 1.831 1.00 0.00 H new ATOM 1011 N SER A 68 -2.357 -8.927 1.273 1.00 0.00 N ATOM 1012 CA SER A 68 -2.434 -9.204 -0.157 1.00 0.00 C ATOM 1013 C SER A 68 -3.697 -8.597 -0.760 1.00 0.00 C ATOM 1014 O SER A 68 -4.793 -9.139 -0.613 1.00 0.00 O ATOM 1015 CB SER A 68 -2.410 -10.713 -0.407 1.00 0.00 C ATOM 1016 OG SER A 68 -1.081 -11.189 -0.527 1.00 0.00 O ATOM 0 H SER A 68 -2.513 -9.740 1.869 1.00 0.00 H new ATOM 0 HA SER A 68 -1.568 -8.749 -0.638 1.00 0.00 H new ATOM 0 HB2 SER A 68 -2.912 -11.228 0.412 1.00 0.00 H new ATOM 0 HB3 SER A 68 -2.965 -10.943 -1.316 1.00 0.00 H new ATOM 0 HG SER A 68 -1.093 -12.156 -0.685 1.00 0.00 H new ATOM 1022 N THR A 69 -3.536 -7.467 -1.441 1.00 0.00 N ATOM 1023 CA THR A 69 -4.662 -6.784 -2.067 1.00 0.00 C ATOM 1024 C THR A 69 -5.250 -7.618 -3.199 1.00 0.00 C ATOM 1025 O THR A 69 -5.065 -7.305 -4.375 1.00 0.00 O ATOM 1026 CB THR A 69 -4.247 -5.408 -2.621 1.00 0.00 C ATOM 1027 OG1 THR A 69 -3.432 -5.575 -3.786 1.00 0.00 O ATOM 1028 CG2 THR A 69 -3.485 -4.610 -1.573 1.00 0.00 C ATOM 0 H THR A 69 -2.636 -7.005 -1.573 1.00 0.00 H new ATOM 0 HA THR A 69 -5.416 -6.643 -1.293 1.00 0.00 H new ATOM 0 HB THR A 69 -5.151 -4.860 -2.886 1.00 0.00 H new ATOM 0 HG1 THR A 69 -3.986 -5.892 -4.530 1.00 0.00 H new ATOM 0 HG21 THR A 69 -3.202 -3.642 -1.987 1.00 0.00 H new ATOM 0 HG22 THR A 69 -4.118 -4.460 -0.699 1.00 0.00 H new ATOM 0 HG23 THR A 69 -2.588 -5.156 -1.281 1.00 0.00 H new ATOM 1036 N ARG A 70 -5.962 -8.681 -2.836 1.00 0.00 N ATOM 1037 CA ARG A 70 -6.578 -9.561 -3.822 1.00 0.00 C ATOM 1038 C ARG A 70 -8.098 -9.443 -3.781 1.00 0.00 C ATOM 1039 O ARG A 70 -8.707 -9.503 -2.713 1.00 0.00 O ATOM 1040 CB ARG A 70 -6.161 -11.011 -3.574 1.00 0.00 C ATOM 1041 CG ARG A 70 -6.794 -12.001 -4.539 1.00 0.00 C ATOM 1042 CD ARG A 70 -5.987 -13.287 -4.627 1.00 0.00 C ATOM 1043 NE ARG A 70 -6.640 -14.286 -5.469 1.00 0.00 N ATOM 1044 CZ ARG A 70 -6.301 -15.570 -5.483 1.00 0.00 C ATOM 1045 NH1 ARG A 70 -5.321 -16.009 -4.705 1.00 0.00 N ATOM 1046 NH2 ARG A 70 -6.942 -16.418 -6.277 1.00 0.00 N ATOM 0 H ARG A 70 -6.126 -8.953 -1.867 1.00 0.00 H new ATOM 0 HA ARG A 70 -6.234 -9.256 -4.810 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -5.076 -11.086 -3.649 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -6.430 -11.288 -2.555 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -7.809 -12.229 -4.214 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -6.869 -11.549 -5.528 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -4.997 -13.067 -5.027 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -5.844 -13.694 -3.626 1.00 0.00 H new ATOM 0 HE ARG A 70 -7.398 -13.981 -6.080 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -4.825 -15.360 -4.094 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -5.063 -16.996 -4.718 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -7.696 -16.084 -6.877 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -6.681 -17.404 -6.287 1.00 0.00 H new ATOM 1060 N ASP A 71 -8.705 -9.274 -4.951 1.00 0.00 N ATOM 1061 CA ASP A 71 -10.155 -9.149 -5.049 1.00 0.00 C ATOM 1062 C ASP A 71 -10.670 -8.057 -4.117 1.00 0.00 C ATOM 1063 O ASP A 71 -11.646 -8.254 -3.394 1.00 0.00 O ATOM 1064 CB ASP A 71 -10.827 -10.481 -4.716 1.00 0.00 C ATOM 1065 CG ASP A 71 -11.011 -11.359 -5.938 1.00 0.00 C ATOM 1066 OD1 ASP A 71 -11.124 -10.808 -7.052 1.00 0.00 O ATOM 1067 OD2 ASP A 71 -11.043 -12.598 -5.780 1.00 0.00 O ATOM 0 H ASP A 71 -8.216 -9.220 -5.844 1.00 0.00 H new ATOM 0 HA ASP A 71 -10.403 -8.873 -6.074 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -10.227 -11.013 -3.978 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -11.798 -10.290 -4.260 1.00 0.00 H new ATOM 1072 N MET A 72 -10.006 -6.906 -4.138 1.00 0.00 N ATOM 1073 CA MET A 72 -10.397 -5.783 -3.294 1.00 0.00 C ATOM 1074 C MET A 72 -10.858 -4.601 -4.141 1.00 0.00 C ATOM 1075 O MET A 72 -10.316 -4.346 -5.217 1.00 0.00 O ATOM 1076 CB MET A 72 -9.231 -5.360 -2.398 1.00 0.00 C ATOM 1077 CG MET A 72 -8.474 -6.531 -1.793 1.00 0.00 C ATOM 1078 SD MET A 72 -7.723 -6.126 -0.204 1.00 0.00 S ATOM 1079 CE MET A 72 -6.935 -4.565 -0.591 1.00 0.00 C ATOM 0 H MET A 72 -9.195 -6.727 -4.730 1.00 0.00 H new ATOM 0 HA MET A 72 -11.229 -6.104 -2.667 1.00 0.00 H new ATOM 0 HB2 MET A 72 -8.538 -4.752 -2.980 1.00 0.00 H new ATOM 0 HB3 MET A 72 -9.611 -4.729 -1.594 1.00 0.00 H new ATOM 0 HG2 MET A 72 -9.156 -7.372 -1.665 1.00 0.00 H new ATOM 0 HG3 MET A 72 -7.697 -6.853 -2.486 1.00 0.00 H new ATOM 0 HE1 MET A 72 -6.131 -4.377 0.121 1.00 0.00 H new ATOM 0 HE2 MET A 72 -6.524 -4.605 -1.600 1.00 0.00 H new ATOM 0 HE3 MET A 72 -7.669 -3.762 -0.530 1.00 0.00 H new ATOM 1089 N THR A 73 -11.861 -3.881 -3.649 1.00 0.00 N ATOM 1090 CA THR A 73 -12.395 -2.727 -4.361 1.00 0.00 C ATOM 1091 C THR A 73 -11.705 -1.441 -3.921 1.00 0.00 C ATOM 1092 O THR A 73 -11.303 -1.305 -2.765 1.00 0.00 O ATOM 1093 CB THR A 73 -13.913 -2.583 -4.140 1.00 0.00 C ATOM 1094 OG1 THR A 73 -14.189 -2.396 -2.747 1.00 0.00 O ATOM 1095 CG2 THR A 73 -14.653 -3.811 -4.649 1.00 0.00 C ATOM 0 H THR A 73 -12.320 -4.077 -2.760 1.00 0.00 H new ATOM 0 HA THR A 73 -12.204 -2.894 -5.421 1.00 0.00 H new ATOM 0 HB THR A 73 -14.259 -1.713 -4.699 1.00 0.00 H new ATOM 0 HG1 THR A 73 -15.156 -2.304 -2.615 1.00 0.00 H new ATOM 0 HG21 THR A 73 -15.723 -3.686 -4.482 1.00 0.00 H new ATOM 0 HG22 THR A 73 -14.464 -3.934 -5.715 1.00 0.00 H new ATOM 0 HG23 THR A 73 -14.303 -4.694 -4.115 1.00 0.00 H new ATOM 1103 N HIS A 74 -11.570 -0.499 -4.849 1.00 0.00 N ATOM 1104 CA HIS A 74 -10.929 0.778 -4.555 1.00 0.00 C ATOM 1105 C HIS A 74 -11.310 1.269 -3.163 1.00 0.00 C ATOM 1106 O HIS A 74 -10.555 2.001 -2.524 1.00 0.00 O ATOM 1107 CB HIS A 74 -11.319 1.821 -5.602 1.00 0.00 C ATOM 1108 CG HIS A 74 -10.459 3.047 -5.576 1.00 0.00 C ATOM 1109 ND1 HIS A 74 -10.786 4.210 -6.240 1.00 0.00 N ATOM 1110 CD2 HIS A 74 -9.278 3.286 -4.960 1.00 0.00 C ATOM 1111 CE1 HIS A 74 -9.843 5.112 -6.034 1.00 0.00 C ATOM 1112 NE2 HIS A 74 -8.916 4.577 -5.260 1.00 0.00 N ATOM 0 H HIS A 74 -11.896 -0.596 -5.811 1.00 0.00 H new ATOM 0 HA HIS A 74 -9.849 0.630 -4.585 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -11.262 1.369 -6.592 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -12.357 2.112 -5.443 1.00 0.00 H new ATOM 0 HD1 HIS A 74 -11.625 4.352 -6.802 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -8.723 2.591 -4.347 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -9.832 6.116 -6.431 1.00 0.00 H new ATOM 1121 N ALA A 75 -12.488 0.863 -2.699 1.00 0.00 N ATOM 1122 CA ALA A 75 -12.969 1.262 -1.382 1.00 0.00 C ATOM 1123 C ALA A 75 -12.150 0.605 -0.276 1.00 0.00 C ATOM 1124 O ALA A 75 -11.643 1.281 0.619 1.00 0.00 O ATOM 1125 CB ALA A 75 -14.442 0.912 -1.229 1.00 0.00 C ATOM 0 H ALA A 75 -13.126 0.258 -3.216 1.00 0.00 H new ATOM 0 HA ALA A 75 -12.852 2.342 -1.292 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -14.787 1.216 -0.241 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -15.021 1.433 -1.992 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -14.574 -0.164 -1.345 1.00 0.00 H new ATOM 1131 N ARG A 76 -12.025 -0.717 -0.345 1.00 0.00 N ATOM 1132 CA ARG A 76 -11.269 -1.465 0.652 1.00 0.00 C ATOM 1133 C ARG A 76 -9.917 -0.808 0.916 1.00 0.00 C ATOM 1134 O ARG A 76 -9.557 -0.546 2.063 1.00 0.00 O ATOM 1135 CB ARG A 76 -11.064 -2.909 0.190 1.00 0.00 C ATOM 1136 CG ARG A 76 -10.056 -3.680 1.026 1.00 0.00 C ATOM 1137 CD ARG A 76 -10.407 -3.631 2.505 1.00 0.00 C ATOM 1138 NE ARG A 76 -9.979 -4.837 3.210 1.00 0.00 N ATOM 1139 CZ ARG A 76 -10.427 -5.185 4.410 1.00 0.00 C ATOM 1140 NH1 ARG A 76 -11.313 -4.423 5.038 1.00 0.00 N ATOM 1141 NH2 ARG A 76 -9.990 -6.297 4.986 1.00 0.00 N ATOM 0 H ARG A 76 -12.437 -1.291 -1.080 1.00 0.00 H new ATOM 0 HA ARG A 76 -11.841 -1.465 1.580 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -12.021 -3.430 0.219 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -10.734 -2.906 -0.849 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -10.023 -4.717 0.693 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -9.060 -3.264 0.873 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -9.937 -2.759 2.960 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -11.484 -3.508 2.618 1.00 0.00 H new ATOM 0 HE ARG A 76 -9.298 -5.445 2.755 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -11.652 -3.567 4.599 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -11.655 -4.693 5.960 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -9.309 -6.886 4.507 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -10.335 -6.563 5.908 1.00 0.00 H new ATOM 1155 N ALA A 77 -9.174 -0.546 -0.154 1.00 0.00 N ATOM 1156 CA ALA A 77 -7.864 0.082 -0.039 1.00 0.00 C ATOM 1157 C ALA A 77 -7.950 1.398 0.727 1.00 0.00 C ATOM 1158 O ALA A 77 -7.138 1.666 1.613 1.00 0.00 O ATOM 1159 CB ALA A 77 -7.265 0.311 -1.419 1.00 0.00 C ATOM 0 H ALA A 77 -9.457 -0.759 -1.110 1.00 0.00 H new ATOM 0 HA ALA A 77 -7.214 -0.592 0.520 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -6.287 0.781 -1.318 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -7.157 -0.645 -1.932 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.921 0.961 -1.997 1.00 0.00 H new ATOM 1165 N ILE A 78 -8.939 2.215 0.380 1.00 0.00 N ATOM 1166 CA ILE A 78 -9.131 3.502 1.035 1.00 0.00 C ATOM 1167 C ILE A 78 -9.485 3.322 2.508 1.00 0.00 C ATOM 1168 O ILE A 78 -9.454 4.276 3.284 1.00 0.00 O ATOM 1169 CB ILE A 78 -10.238 4.324 0.349 1.00 0.00 C ATOM 1170 CG1 ILE A 78 -9.881 4.578 -1.116 1.00 0.00 C ATOM 1171 CG2 ILE A 78 -10.455 5.639 1.084 1.00 0.00 C ATOM 1172 CD1 ILE A 78 -9.099 5.855 -1.335 1.00 0.00 C ATOM 0 H ILE A 78 -9.619 2.008 -0.351 1.00 0.00 H new ATOM 0 HA ILE A 78 -8.187 4.041 0.954 1.00 0.00 H new ATOM 0 HB ILE A 78 -11.167 3.755 0.383 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -9.299 3.736 -1.491 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -10.798 4.618 -1.703 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -11.240 6.208 0.587 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -10.750 5.436 2.113 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -9.530 6.216 1.079 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -8.881 5.970 -2.397 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -9.687 6.706 -0.991 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -8.165 5.810 -0.775 1.00 0.00 H new ATOM 1184 N GLU A 79 -9.820 2.092 2.884 1.00 0.00 N ATOM 1185 CA GLU A 79 -10.179 1.787 4.264 1.00 0.00 C ATOM 1186 C GLU A 79 -8.954 1.345 5.060 1.00 0.00 C ATOM 1187 O GLU A 79 -8.770 1.746 6.210 1.00 0.00 O ATOM 1188 CB GLU A 79 -11.249 0.694 4.306 1.00 0.00 C ATOM 1189 CG GLU A 79 -11.149 -0.210 5.523 1.00 0.00 C ATOM 1190 CD GLU A 79 -11.786 0.399 6.757 1.00 0.00 C ATOM 1191 OE1 GLU A 79 -11.680 1.631 6.933 1.00 0.00 O ATOM 1192 OE2 GLU A 79 -12.391 -0.356 7.546 1.00 0.00 O ATOM 0 H GLU A 79 -9.850 1.291 2.253 1.00 0.00 H new ATOM 0 HA GLU A 79 -10.578 2.694 4.718 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -12.234 1.161 4.291 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -11.171 0.086 3.405 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -11.630 -1.163 5.303 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -10.100 -0.422 5.728 1.00 0.00 H new ATOM 1199 N LEU A 80 -8.121 0.517 4.441 1.00 0.00 N ATOM 1200 CA LEU A 80 -6.913 0.020 5.090 1.00 0.00 C ATOM 1201 C LEU A 80 -5.961 1.165 5.420 1.00 0.00 C ATOM 1202 O LEU A 80 -5.352 1.190 6.490 1.00 0.00 O ATOM 1203 CB LEU A 80 -6.210 -1.000 4.192 1.00 0.00 C ATOM 1204 CG LEU A 80 -7.055 -2.192 3.742 1.00 0.00 C ATOM 1205 CD1 LEU A 80 -6.253 -3.095 2.817 1.00 0.00 C ATOM 1206 CD2 LEU A 80 -7.561 -2.973 4.946 1.00 0.00 C ATOM 0 H LEU A 80 -8.260 0.175 3.490 1.00 0.00 H new ATOM 0 HA LEU A 80 -7.205 -0.465 6.021 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.846 -0.483 3.304 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -5.336 -1.379 4.721 1.00 0.00 H new ATOM 0 HG LEU A 80 -7.917 -1.815 3.191 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -6.870 -3.938 2.507 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -5.941 -2.531 1.938 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.372 -3.464 3.343 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -8.160 -3.818 4.606 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -6.713 -3.339 5.525 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -8.173 -2.322 5.571 1.00 0.00 H new ATOM 1218 N ILE A 81 -5.840 2.112 4.496 1.00 0.00 N ATOM 1219 CA ILE A 81 -4.965 3.261 4.691 1.00 0.00 C ATOM 1220 C ILE A 81 -5.315 4.007 5.974 1.00 0.00 C ATOM 1221 O ILE A 81 -4.438 4.544 6.652 1.00 0.00 O ATOM 1222 CB ILE A 81 -5.048 4.239 3.504 1.00 0.00 C ATOM 1223 CG1 ILE A 81 -4.791 3.501 2.188 1.00 0.00 C ATOM 1224 CG2 ILE A 81 -4.053 5.376 3.683 1.00 0.00 C ATOM 1225 CD1 ILE A 81 -5.361 4.207 0.978 1.00 0.00 C ATOM 0 H ILE A 81 -6.337 2.106 3.605 1.00 0.00 H new ATOM 0 HA ILE A 81 -3.948 2.875 4.764 1.00 0.00 H new ATOM 0 HB ILE A 81 -6.052 4.663 3.471 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -3.716 3.378 2.054 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -5.221 2.501 2.251 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -4.124 6.058 2.836 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -4.278 5.915 4.603 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -3.043 4.970 3.738 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -5.141 3.627 0.081 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -6.441 4.307 1.090 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -4.913 5.197 0.889 1.00 0.00 H new ATOM 1237 N LYS A 82 -6.602 4.035 6.304 1.00 0.00 N ATOM 1238 CA LYS A 82 -7.069 4.711 7.508 1.00 0.00 C ATOM 1239 C LYS A 82 -7.259 3.719 8.651 1.00 0.00 C ATOM 1240 O LYS A 82 -7.349 4.109 9.815 1.00 0.00 O ATOM 1241 CB LYS A 82 -8.384 5.442 7.229 1.00 0.00 C ATOM 1242 CG LYS A 82 -9.339 4.660 6.345 1.00 0.00 C ATOM 1243 CD LYS A 82 -10.640 5.413 6.125 1.00 0.00 C ATOM 1244 CE LYS A 82 -10.388 6.824 5.615 1.00 0.00 C ATOM 1245 NZ LYS A 82 -10.144 7.781 6.730 1.00 0.00 N ATOM 0 H LYS A 82 -7.341 3.597 5.754 1.00 0.00 H new ATOM 0 HA LYS A 82 -6.312 5.437 7.804 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -8.876 5.661 8.177 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -8.165 6.399 6.755 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -8.866 4.461 5.383 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -9.550 3.693 6.802 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -11.259 4.871 5.409 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -11.199 5.457 7.060 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -9.528 6.820 4.945 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -11.246 7.158 5.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -10.874 8.522 6.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -10.181 7.274 7.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -9.207 8.217 6.615 1.00 0.00 H new ATOM 1259 N SER A 83 -7.317 2.436 8.311 1.00 0.00 N ATOM 1260 CA SER A 83 -7.498 1.388 9.308 1.00 0.00 C ATOM 1261 C SER A 83 -6.193 1.112 10.050 1.00 0.00 C ATOM 1262 O SER A 83 -6.199 0.760 11.229 1.00 0.00 O ATOM 1263 CB SER A 83 -8.002 0.104 8.645 1.00 0.00 C ATOM 1264 OG SER A 83 -8.381 -0.856 9.615 1.00 0.00 O ATOM 0 H SER A 83 -7.241 2.097 7.352 1.00 0.00 H new ATOM 0 HA SER A 83 -8.240 1.732 10.029 1.00 0.00 H new ATOM 0 HB2 SER A 83 -8.853 0.332 8.003 1.00 0.00 H new ATOM 0 HB3 SER A 83 -7.222 -0.309 8.005 1.00 0.00 H new ATOM 0 HG SER A 83 -8.701 -1.666 9.166 1.00 0.00 H new ATOM 1270 N GLY A 84 -5.075 1.276 9.349 1.00 0.00 N ATOM 1271 CA GLY A 84 -3.778 1.041 9.956 1.00 0.00 C ATOM 1272 C GLY A 84 -3.435 2.075 11.010 1.00 0.00 C ATOM 1273 O GLY A 84 -2.889 1.743 12.061 1.00 0.00 O ATOM 0 H GLY A 84 -5.045 1.567 8.372 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -3.766 0.049 10.407 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -3.011 1.048 9.181 1.00 0.00 H new ATOM 1277 N GLY A 85 -3.755 3.335 10.727 1.00 0.00 N ATOM 1278 CA GLY A 85 -3.467 4.402 11.668 1.00 0.00 C ATOM 1279 C GLY A 85 -2.700 5.544 11.032 1.00 0.00 C ATOM 1280 O GLY A 85 -2.938 5.893 9.875 1.00 0.00 O ATOM 0 H GLY A 85 -4.208 3.635 9.864 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -4.402 4.781 12.080 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -2.891 4.001 12.502 1.00 0.00 H new ATOM 1284 N ARG A 86 -1.778 6.129 11.789 1.00 0.00 N ATOM 1285 CA ARG A 86 -0.976 7.241 11.294 1.00 0.00 C ATOM 1286 C ARG A 86 0.154 6.740 10.399 1.00 0.00 C ATOM 1287 O ARG A 86 0.726 7.501 9.619 1.00 0.00 O ATOM 1288 CB ARG A 86 -0.399 8.042 12.462 1.00 0.00 C ATOM 1289 CG ARG A 86 -1.259 9.226 12.873 1.00 0.00 C ATOM 1290 CD ARG A 86 -0.944 9.678 14.290 1.00 0.00 C ATOM 1291 NE ARG A 86 -1.650 10.908 14.642 1.00 0.00 N ATOM 1292 CZ ARG A 86 -1.514 11.524 15.811 1.00 0.00 C ATOM 1293 NH1 ARG A 86 -0.703 11.029 16.735 1.00 0.00 N ATOM 1294 NH2 ARG A 86 -2.190 12.639 16.057 1.00 0.00 N ATOM 0 H ARG A 86 -1.568 5.851 12.748 1.00 0.00 H new ATOM 0 HA ARG A 86 -1.624 7.889 10.704 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -0.274 7.380 13.319 1.00 0.00 H new ATOM 0 HB3 ARG A 86 0.593 8.402 12.190 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -1.096 10.053 12.182 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -2.312 8.954 12.802 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -1.218 8.890 14.991 1.00 0.00 H new ATOM 0 HD3 ARG A 86 0.130 9.835 14.390 1.00 0.00 H new ATOM 0 HE ARG A 86 -2.282 11.316 13.953 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -0.181 10.173 16.550 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -0.601 11.505 17.632 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -2.815 13.024 15.348 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -2.085 13.111 16.955 1.00 0.00 H new ATOM 1308 N ARG A 87 0.471 5.455 10.520 1.00 0.00 N ATOM 1309 CA ARG A 87 1.534 4.852 9.724 1.00 0.00 C ATOM 1310 C ARG A 87 0.972 3.797 8.776 1.00 0.00 C ATOM 1311 O ARG A 87 0.247 2.895 9.195 1.00 0.00 O ATOM 1312 CB ARG A 87 2.590 4.224 10.636 1.00 0.00 C ATOM 1313 CG ARG A 87 3.150 5.185 11.671 1.00 0.00 C ATOM 1314 CD ARG A 87 4.014 4.462 12.692 1.00 0.00 C ATOM 1315 NE ARG A 87 4.603 5.382 13.661 1.00 0.00 N ATOM 1316 CZ ARG A 87 5.563 5.038 14.513 1.00 0.00 C ATOM 1317 NH1 ARG A 87 6.039 3.801 14.515 1.00 0.00 N ATOM 1318 NH2 ARG A 87 6.048 5.933 15.364 1.00 0.00 N ATOM 0 H ARG A 87 0.007 4.811 11.161 1.00 0.00 H new ATOM 0 HA ARG A 87 1.999 5.638 9.130 1.00 0.00 H new ATOM 0 HB2 ARG A 87 2.152 3.367 11.148 1.00 0.00 H new ATOM 0 HB3 ARG A 87 3.408 3.846 10.023 1.00 0.00 H new ATOM 0 HG2 ARG A 87 3.740 5.954 11.173 1.00 0.00 H new ATOM 0 HG3 ARG A 87 2.330 5.692 12.180 1.00 0.00 H new ATOM 0 HD2 ARG A 87 3.411 3.720 13.216 1.00 0.00 H new ATOM 0 HD3 ARG A 87 4.808 3.921 12.177 1.00 0.00 H new ATOM 0 HE ARG A 87 4.258 6.342 13.685 1.00 0.00 H new ATOM 0 HH11 ARG A 87 5.668 3.111 13.862 1.00 0.00 H new ATOM 0 HH12 ARG A 87 6.776 3.539 15.170 1.00 0.00 H new ATOM 0 HH21 ARG A 87 5.684 6.886 15.365 1.00 0.00 H new ATOM 0 HH22 ARG A 87 6.785 5.668 16.018 1.00 0.00 H new ATOM 1332 N VAL A 88 1.311 3.917 7.496 1.00 0.00 N ATOM 1333 CA VAL A 88 0.841 2.974 6.489 1.00 0.00 C ATOM 1334 C VAL A 88 2.009 2.351 5.732 1.00 0.00 C ATOM 1335 O VAL A 88 3.037 2.994 5.517 1.00 0.00 O ATOM 1336 CB VAL A 88 -0.105 3.654 5.481 1.00 0.00 C ATOM 1337 CG1 VAL A 88 0.640 4.709 4.678 1.00 0.00 C ATOM 1338 CG2 VAL A 88 -0.736 2.619 4.562 1.00 0.00 C ATOM 0 H VAL A 88 1.910 4.658 7.132 1.00 0.00 H new ATOM 0 HA VAL A 88 0.296 2.192 7.018 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.903 4.150 6.034 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -0.044 5.179 3.971 1.00 0.00 H new ATOM 0 HG12 VAL A 88 1.040 5.465 5.353 1.00 0.00 H new ATOM 0 HG13 VAL A 88 1.459 4.240 4.133 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -1.401 3.116 3.856 1.00 0.00 H new ATOM 0 HG22 VAL A 88 0.046 2.093 4.014 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -1.306 1.904 5.156 1.00 0.00 H new ATOM 1348 N ARG A 89 1.844 1.095 5.330 1.00 0.00 N ATOM 1349 CA ARG A 89 2.884 0.384 4.597 1.00 0.00 C ATOM 1350 C ARG A 89 2.279 -0.491 3.503 1.00 0.00 C ATOM 1351 O ARG A 89 1.456 -1.366 3.778 1.00 0.00 O ATOM 1352 CB ARG A 89 3.713 -0.476 5.553 1.00 0.00 C ATOM 1353 CG ARG A 89 4.647 -1.445 4.845 1.00 0.00 C ATOM 1354 CD ARG A 89 4.989 -2.635 5.728 1.00 0.00 C ATOM 1355 NE ARG A 89 5.751 -2.240 6.909 1.00 0.00 N ATOM 1356 CZ ARG A 89 6.519 -3.074 7.601 1.00 0.00 C ATOM 1357 NH1 ARG A 89 6.626 -4.343 7.232 1.00 0.00 N ATOM 1358 NH2 ARG A 89 7.183 -2.639 8.665 1.00 0.00 N ATOM 0 H ARG A 89 0.999 0.549 5.500 1.00 0.00 H new ATOM 0 HA ARG A 89 3.533 1.124 4.128 1.00 0.00 H new ATOM 0 HB2 ARG A 89 4.301 0.177 6.198 1.00 0.00 H new ATOM 0 HB3 ARG A 89 3.039 -1.040 6.198 1.00 0.00 H new ATOM 0 HG2 ARG A 89 4.180 -1.796 3.925 1.00 0.00 H new ATOM 0 HG3 ARG A 89 5.563 -0.927 4.560 1.00 0.00 H new ATOM 0 HD2 ARG A 89 4.070 -3.131 6.039 1.00 0.00 H new ATOM 0 HD3 ARG A 89 5.564 -3.360 5.152 1.00 0.00 H new ATOM 0 HE ARG A 89 5.690 -1.270 7.220 1.00 0.00 H new ATOM 0 HH11 ARG A 89 6.118 -4.681 6.415 1.00 0.00 H new ATOM 0 HH12 ARG A 89 7.217 -4.981 7.765 1.00 0.00 H new ATOM 0 HH21 ARG A 89 7.104 -1.663 8.952 1.00 0.00 H new ATOM 0 HH22 ARG A 89 7.772 -3.280 9.196 1.00 0.00 H new ATOM 1372 N LEU A 90 2.689 -0.248 2.264 1.00 0.00 N ATOM 1373 CA LEU A 90 2.187 -1.013 1.128 1.00 0.00 C ATOM 1374 C LEU A 90 3.329 -1.440 0.212 1.00 0.00 C ATOM 1375 O LEU A 90 4.333 -0.738 0.084 1.00 0.00 O ATOM 1376 CB LEU A 90 1.169 -0.186 0.341 1.00 0.00 C ATOM 1377 CG LEU A 90 1.309 1.333 0.452 1.00 0.00 C ATOM 1378 CD1 LEU A 90 0.954 2.000 -0.868 1.00 0.00 C ATOM 1379 CD2 LEU A 90 0.432 1.868 1.574 1.00 0.00 C ATOM 0 H LEU A 90 3.368 0.473 2.020 1.00 0.00 H new ATOM 0 HA LEU A 90 1.699 -1.909 1.512 1.00 0.00 H new ATOM 0 HB2 LEU A 90 1.242 -0.462 -0.711 1.00 0.00 H new ATOM 0 HB3 LEU A 90 0.169 -0.464 0.674 1.00 0.00 H new ATOM 0 HG LEU A 90 2.348 1.567 0.686 1.00 0.00 H new ATOM 0 HD11 LEU A 90 1.059 3.080 -0.770 1.00 0.00 H new ATOM 0 HD12 LEU A 90 1.623 1.640 -1.649 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -0.076 1.759 -1.132 1.00 0.00 H new ATOM 0 HD21 LEU A 90 0.544 2.950 1.639 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -0.610 1.623 1.370 1.00 0.00 H new ATOM 0 HD23 LEU A 90 0.733 1.415 2.519 1.00 0.00 H new ATOM 1391 N LEU A 91 3.169 -2.595 -0.426 1.00 0.00 N ATOM 1392 CA LEU A 91 4.186 -3.116 -1.333 1.00 0.00 C ATOM 1393 C LEU A 91 4.021 -2.527 -2.731 1.00 0.00 C ATOM 1394 O LEU A 91 3.097 -2.885 -3.462 1.00 0.00 O ATOM 1395 CB LEU A 91 4.107 -4.642 -1.397 1.00 0.00 C ATOM 1396 CG LEU A 91 5.318 -5.352 -2.002 1.00 0.00 C ATOM 1397 CD1 LEU A 91 5.137 -6.861 -1.943 1.00 0.00 C ATOM 1398 CD2 LEU A 91 5.542 -4.896 -3.437 1.00 0.00 C ATOM 0 H LEU A 91 2.345 -3.188 -0.332 1.00 0.00 H new ATOM 0 HA LEU A 91 5.164 -2.825 -0.949 1.00 0.00 H new ATOM 0 HB2 LEU A 91 3.957 -5.021 -0.386 1.00 0.00 H new ATOM 0 HB3 LEU A 91 3.224 -4.916 -1.975 1.00 0.00 H new ATOM 0 HG LEU A 91 6.199 -5.089 -1.416 1.00 0.00 H new ATOM 0 HD11 LEU A 91 6.009 -7.349 -2.378 1.00 0.00 H new ATOM 0 HD12 LEU A 91 5.026 -7.174 -0.905 1.00 0.00 H new ATOM 0 HD13 LEU A 91 4.246 -7.143 -2.504 1.00 0.00 H new ATOM 0 HD21 LEU A 91 6.408 -5.412 -3.852 1.00 0.00 H new ATOM 0 HD22 LEU A 91 4.661 -5.129 -4.035 1.00 0.00 H new ATOM 0 HD23 LEU A 91 5.718 -3.820 -3.454 1.00 0.00 H new ATOM 1410 N LEU A 92 4.924 -1.625 -3.097 1.00 0.00 N ATOM 1411 CA LEU A 92 4.881 -0.988 -4.409 1.00 0.00 C ATOM 1412 C LEU A 92 6.098 -1.377 -5.243 1.00 0.00 C ATOM 1413 O LEU A 92 7.164 -1.676 -4.705 1.00 0.00 O ATOM 1414 CB LEU A 92 4.818 0.533 -4.257 1.00 0.00 C ATOM 1415 CG LEU A 92 4.227 1.301 -5.440 1.00 0.00 C ATOM 1416 CD1 LEU A 92 2.709 1.202 -5.435 1.00 0.00 C ATOM 1417 CD2 LEU A 92 4.668 2.757 -5.405 1.00 0.00 C ATOM 0 H LEU A 92 5.695 -1.318 -2.504 1.00 0.00 H new ATOM 0 HA LEU A 92 3.985 -1.333 -4.924 1.00 0.00 H new ATOM 0 HB2 LEU A 92 4.231 0.765 -3.369 1.00 0.00 H new ATOM 0 HB3 LEU A 92 5.828 0.902 -4.077 1.00 0.00 H new ATOM 0 HG LEU A 92 4.598 0.852 -6.362 1.00 0.00 H new ATOM 0 HD11 LEU A 92 2.306 1.754 -6.284 1.00 0.00 H new ATOM 0 HD12 LEU A 92 2.412 0.156 -5.509 1.00 0.00 H new ATOM 0 HD13 LEU A 92 2.320 1.625 -4.509 1.00 0.00 H new ATOM 0 HD21 LEU A 92 4.238 3.288 -6.254 1.00 0.00 H new ATOM 0 HD22 LEU A 92 4.327 3.218 -4.478 1.00 0.00 H new ATOM 0 HD23 LEU A 92 5.755 2.809 -5.457 1.00 0.00 H new ATOM 1429 N LYS A 93 5.931 -1.369 -6.561 1.00 0.00 N ATOM 1430 CA LYS A 93 7.015 -1.718 -7.472 1.00 0.00 C ATOM 1431 C LYS A 93 7.102 -0.719 -8.622 1.00 0.00 C ATOM 1432 O LYS A 93 6.103 -0.426 -9.278 1.00 0.00 O ATOM 1433 CB LYS A 93 6.812 -3.131 -8.024 1.00 0.00 C ATOM 1434 CG LYS A 93 5.391 -3.404 -8.487 1.00 0.00 C ATOM 1435 CD LYS A 93 5.226 -3.127 -9.972 1.00 0.00 C ATOM 1436 CE LYS A 93 5.469 -4.378 -10.802 1.00 0.00 C ATOM 1437 NZ LYS A 93 6.919 -4.701 -10.906 1.00 0.00 N ATOM 0 H LYS A 93 5.055 -1.125 -7.023 1.00 0.00 H new ATOM 0 HA LYS A 93 7.950 -1.685 -6.913 1.00 0.00 H new ATOM 0 HB2 LYS A 93 7.494 -3.287 -8.860 1.00 0.00 H new ATOM 0 HB3 LYS A 93 7.080 -3.855 -7.254 1.00 0.00 H new ATOM 0 HG2 LYS A 93 5.132 -4.442 -8.279 1.00 0.00 H new ATOM 0 HG3 LYS A 93 4.697 -2.783 -7.921 1.00 0.00 H new ATOM 0 HD2 LYS A 93 4.221 -2.751 -10.164 1.00 0.00 H new ATOM 0 HD3 LYS A 93 5.922 -2.346 -10.277 1.00 0.00 H new ATOM 0 HE2 LYS A 93 4.941 -5.220 -10.354 1.00 0.00 H new ATOM 0 HE3 LYS A 93 5.056 -4.237 -11.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 7.116 -5.119 -11.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 7.478 -3.831 -10.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 7.178 -5.379 -10.161 1.00 0.00 H new ATOM 1451 N ARG A 94 8.303 -0.202 -8.861 1.00 0.00 N ATOM 1452 CA ARG A 94 8.520 0.763 -9.932 1.00 0.00 C ATOM 1453 C ARG A 94 9.329 0.143 -11.067 1.00 0.00 C ATOM 1454 O ARG A 94 10.422 -0.378 -10.851 1.00 0.00 O ATOM 1455 CB ARG A 94 9.240 2.001 -9.394 1.00 0.00 C ATOM 1456 CG ARG A 94 9.583 3.021 -10.468 1.00 0.00 C ATOM 1457 CD ARG A 94 8.339 3.496 -11.202 1.00 0.00 C ATOM 1458 NE ARG A 94 8.659 4.454 -12.257 1.00 0.00 N ATOM 1459 CZ ARG A 94 7.816 4.786 -13.228 1.00 0.00 C ATOM 1460 NH1 ARG A 94 6.609 4.240 -13.278 1.00 0.00 N ATOM 1461 NH2 ARG A 94 8.180 5.666 -14.153 1.00 0.00 N ATOM 0 H ARG A 94 9.140 -0.435 -8.327 1.00 0.00 H new ATOM 0 HA ARG A 94 7.547 1.059 -10.323 1.00 0.00 H new ATOM 0 HB2 ARG A 94 8.613 2.477 -8.640 1.00 0.00 H new ATOM 0 HB3 ARG A 94 10.157 1.689 -8.895 1.00 0.00 H new ATOM 0 HG2 ARG A 94 10.087 3.874 -10.014 1.00 0.00 H new ATOM 0 HG3 ARG A 94 10.281 2.581 -11.180 1.00 0.00 H new ATOM 0 HD2 ARG A 94 7.824 2.639 -11.635 1.00 0.00 H new ATOM 0 HD3 ARG A 94 7.652 3.955 -10.491 1.00 0.00 H new ATOM 0 HE ARG A 94 9.580 4.892 -12.247 1.00 0.00 H new ATOM 0 HH11 ARG A 94 6.326 3.563 -12.570 1.00 0.00 H new ATOM 0 HH12 ARG A 94 5.964 4.497 -14.025 1.00 0.00 H new ATOM 0 HH21 ARG A 94 9.108 6.088 -14.118 1.00 0.00 H new ATOM 0 HH22 ARG A 94 7.532 5.920 -14.898 1.00 0.00 H new ATOM 1475 N GLY A 95 8.783 0.203 -12.278 1.00 0.00 N ATOM 1476 CA GLY A 95 9.467 -0.357 -13.429 1.00 0.00 C ATOM 1477 C GLY A 95 10.545 0.563 -13.967 1.00 0.00 C ATOM 1478 O GLY A 95 10.569 0.875 -15.158 1.00 0.00 O ATOM 0 H GLY A 95 7.879 0.629 -12.482 1.00 0.00 H new ATOM 0 HA2 GLY A 95 9.913 -1.312 -13.153 1.00 0.00 H new ATOM 0 HA3 GLY A 95 8.741 -0.560 -14.216 1.00 0.00 H new ATOM 1482 N THR A 96 11.440 1.001 -13.087 1.00 0.00 N ATOM 1483 CA THR A 96 12.524 1.894 -13.479 1.00 0.00 C ATOM 1484 C THR A 96 13.694 1.113 -14.065 1.00 0.00 C ATOM 1485 O THR A 96 14.257 1.495 -15.090 1.00 0.00 O ATOM 1486 CB THR A 96 13.025 2.727 -12.284 1.00 0.00 C ATOM 1487 OG1 THR A 96 14.028 3.652 -12.719 1.00 0.00 O ATOM 1488 CG2 THR A 96 13.594 1.828 -11.197 1.00 0.00 C ATOM 0 H THR A 96 11.436 0.752 -12.098 1.00 0.00 H new ATOM 0 HA THR A 96 12.122 2.566 -14.238 1.00 0.00 H new ATOM 0 HB THR A 96 12.178 3.276 -11.872 1.00 0.00 H new ATOM 0 HG1 THR A 96 14.341 4.179 -11.954 1.00 0.00 H new ATOM 0 HG21 THR A 96 13.941 2.439 -10.364 1.00 0.00 H new ATOM 0 HG22 THR A 96 12.820 1.145 -10.848 1.00 0.00 H new ATOM 0 HG23 THR A 96 14.429 1.255 -11.599 1.00 0.00 H new ATOM 1496 N GLY A 97 14.056 0.014 -13.409 1.00 0.00 N ATOM 1497 CA GLY A 97 15.157 -0.804 -13.881 1.00 0.00 C ATOM 1498 C GLY A 97 14.695 -2.143 -14.420 1.00 0.00 C ATOM 1499 O GLY A 97 14.091 -2.214 -15.490 1.00 0.00 O ATOM 0 H GLY A 97 13.606 -0.324 -12.559 1.00 0.00 H new ATOM 0 HA2 GLY A 97 15.695 -0.267 -14.662 1.00 0.00 H new ATOM 0 HA3 GLY A 97 15.860 -0.968 -13.064 1.00 0.00 H new ATOM 1503 N SER A 98 14.981 -3.208 -13.678 1.00 0.00 N ATOM 1504 CA SER A 98 14.596 -4.553 -14.091 1.00 0.00 C ATOM 1505 C SER A 98 15.061 -4.838 -15.516 1.00 0.00 C ATOM 1506 O SER A 98 14.446 -5.622 -16.236 1.00 0.00 O ATOM 1507 CB SER A 98 13.079 -4.724 -13.994 1.00 0.00 C ATOM 1508 OG SER A 98 12.731 -6.081 -13.786 1.00 0.00 O ATOM 0 H SER A 98 15.478 -3.166 -12.788 1.00 0.00 H new ATOM 0 HA SER A 98 15.079 -5.264 -13.421 1.00 0.00 H new ATOM 0 HB2 SER A 98 12.693 -4.117 -13.175 1.00 0.00 H new ATOM 0 HB3 SER A 98 12.610 -4.361 -14.908 1.00 0.00 H new ATOM 0 HG SER A 98 11.756 -6.163 -13.726 1.00 0.00 H new ATOM 1514 N GLY A 99 16.155 -4.195 -15.914 1.00 0.00 N ATOM 1515 CA GLY A 99 16.685 -4.392 -17.251 1.00 0.00 C ATOM 1516 C GLY A 99 16.570 -3.148 -18.110 1.00 0.00 C ATOM 1517 O GLY A 99 15.740 -2.273 -17.864 1.00 0.00 O ATOM 0 H GLY A 99 16.683 -3.542 -15.335 1.00 0.00 H new ATOM 0 HA2 GLY A 99 17.732 -4.687 -17.183 1.00 0.00 H new ATOM 0 HA3 GLY A 99 16.153 -5.212 -17.732 1.00 0.00 H new ATOM 1521 N PRO A 100 17.420 -3.058 -19.143 1.00 0.00 N ATOM 1522 CA PRO A 100 17.430 -1.915 -20.062 1.00 0.00 C ATOM 1523 C PRO A 100 16.191 -1.874 -20.950 1.00 0.00 C ATOM 1524 O PRO A 100 16.041 -0.978 -21.780 1.00 0.00 O ATOM 1525 CB PRO A 100 18.686 -2.149 -20.905 1.00 0.00 C ATOM 1526 CG PRO A 100 18.907 -3.622 -20.853 1.00 0.00 C ATOM 1527 CD PRO A 100 18.436 -4.064 -19.496 1.00 0.00 C ATOM 0 HA PRO A 100 17.429 -0.964 -19.530 1.00 0.00 H new ATOM 0 HB2 PRO A 100 18.545 -1.806 -21.930 1.00 0.00 H new ATOM 0 HB3 PRO A 100 19.541 -1.606 -20.502 1.00 0.00 H new ATOM 0 HG2 PRO A 100 18.352 -4.128 -21.643 1.00 0.00 H new ATOM 0 HG3 PRO A 100 19.960 -3.864 -20.999 1.00 0.00 H new ATOM 0 HD2 PRO A 100 18.014 -5.069 -19.525 1.00 0.00 H new ATOM 0 HD3 PRO A 100 19.252 -4.082 -18.774 1.00 0.00 H new ATOM 1535 N SER A 101 15.306 -2.849 -20.768 1.00 0.00 N ATOM 1536 CA SER A 101 14.081 -2.925 -21.556 1.00 0.00 C ATOM 1537 C SER A 101 13.419 -1.555 -21.664 1.00 0.00 C ATOM 1538 O SER A 101 13.059 -1.112 -22.755 1.00 0.00 O ATOM 1539 CB SER A 101 13.109 -3.926 -20.930 1.00 0.00 C ATOM 1540 OG SER A 101 12.257 -4.492 -21.911 1.00 0.00 O ATOM 0 H SER A 101 15.414 -3.597 -20.083 1.00 0.00 H new ATOM 0 HA SER A 101 14.343 -3.262 -22.559 1.00 0.00 H new ATOM 0 HB2 SER A 101 13.668 -4.717 -20.430 1.00 0.00 H new ATOM 0 HB3 SER A 101 12.510 -3.428 -20.167 1.00 0.00 H new ATOM 0 HG SER A 101 11.647 -5.130 -21.485 1.00 0.00 H new ATOM 1546 N SER A 102 13.261 -0.889 -20.525 1.00 0.00 N ATOM 1547 CA SER A 102 12.638 0.429 -20.490 1.00 0.00 C ATOM 1548 C SER A 102 13.243 1.344 -21.550 1.00 0.00 C ATOM 1549 O SER A 102 14.439 1.629 -21.530 1.00 0.00 O ATOM 1550 CB SER A 102 12.801 1.056 -19.104 1.00 0.00 C ATOM 1551 OG SER A 102 12.677 2.467 -19.165 1.00 0.00 O ATOM 0 H SER A 102 13.556 -1.240 -19.614 1.00 0.00 H new ATOM 0 HA SER A 102 11.576 0.308 -20.703 1.00 0.00 H new ATOM 0 HB2 SER A 102 12.049 0.651 -18.427 1.00 0.00 H new ATOM 0 HB3 SER A 102 13.775 0.791 -18.694 1.00 0.00 H new ATOM 0 HG SER A 102 12.783 2.844 -18.267 1.00 0.00 H new ATOM 1557 N GLY A 103 12.405 1.801 -22.475 1.00 0.00 N ATOM 1558 CA GLY A 103 12.874 2.679 -23.531 1.00 0.00 C ATOM 1559 C GLY A 103 11.744 3.199 -24.398 1.00 0.00 C ATOM 1560 O GLY A 103 11.944 3.498 -25.576 1.00 0.00 O ATOM 0 H GLY A 103 11.410 1.579 -22.512 1.00 0.00 H new ATOM 0 HA2 GLY A 103 13.406 3.522 -23.089 1.00 0.00 H new ATOM 0 HA3 GLY A 103 13.589 2.142 -24.155 1.00 0.00 H new TER 1564 GLY A 103