USER MOD reduce.3.24.130724 H: found=0, std=0, add=618, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 618 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 46 SER OG : rot 110:sc= -0.171 USER MOD Set 1.2: A 74 GLN : amide:sc= -0.366 K(o=-0.54,f=-1.3) USER MOD Set 2.1: A 33 ASN : amide:sc= 0 X(o=0.19,f=0.19) USER MOD Set 2.2: A 36 THR OG1 : rot -65:sc= 0.187 USER MOD Single : A 5 MET CE :methyl 164:sc= -0.0171 (180deg=-0.462) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ -158:sc= -0.0496 (180deg=-0.402) USER MOD Single : A 9 CYS SG : rot 96:sc= -3.12! USER MOD Single : A 14 THR OG1 : rot 71:sc= 0.609 USER MOD Single : A 17 CYS SG : rot 180:sc= -0.132 USER MOD Single : A 18 LYS NZ :NH3+ -154:sc= -0.0837 (180deg=-0.486) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 133:sc= -0.147 (180deg=-0.607) USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 ASN :FLIP amide:sc= 0.991 F(o=-0.21,f=0.99) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.00507 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot -69:sc= -0.153 USER MOD Single : A 45 SER OG : rot 71:sc= 0.0197 USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= -1.01 USER MOD Single : A 61 LYS NZ :NH3+ 174:sc= 0.31 (180deg=0.291) USER MOD Single : A 64 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0125) USER MOD Single : A 65 TYR OH : rot 180:sc= -0.0825 USER MOD Single : A 71 SER OG : rot -56:sc= 0.938 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot -21:sc= 0.878 USER MOD Single : A 77 SER OG : rot -25:sc= 0.0625 USER MOD ----------------------------------------------------------------- ATOM 18 N ARG A 2 -0.174 -0.322 -2.525 1.00 0.00 N ATOM 19 CA ARG A 2 -1.092 -0.459 -3.649 1.00 0.00 C ATOM 20 C ARG A 2 -0.641 0.400 -4.827 1.00 0.00 C ATOM 21 O ARG A 2 -0.689 -0.033 -5.977 1.00 0.00 O ATOM 22 CB ARG A 2 -2.509 -0.066 -3.229 1.00 0.00 C ATOM 23 CG ARG A 2 -3.109 -0.983 -2.176 1.00 0.00 C ATOM 24 CD ARG A 2 -4.590 -0.704 -1.973 1.00 0.00 C ATOM 25 NE ARG A 2 -4.853 0.714 -1.738 1.00 0.00 N ATOM 26 CZ ARG A 2 -4.632 1.319 -0.576 1.00 0.00 C ATOM 27 NH1 ARG A 2 -4.148 0.635 0.450 1.00 0.00 N ATOM 28 NH2 ARG A 2 -4.896 2.612 -0.440 1.00 0.00 N ATOM 0 HA ARG A 2 -1.091 -1.503 -3.962 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -2.495 0.954 -2.845 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -3.153 -0.067 -4.109 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -2.971 -2.022 -2.475 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -2.580 -0.850 -1.232 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -5.145 -1.035 -2.851 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -4.956 -1.286 -1.127 1.00 0.00 H new ATOM 0 HE ARG A 2 -5.226 1.269 -2.508 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -3.944 -0.359 0.349 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -3.979 1.103 1.341 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -5.269 3.142 -1.228 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -4.726 3.076 0.452 1.00 0.00 H new ATOM 42 N GLU A 3 -0.205 1.620 -4.530 1.00 0.00 N ATOM 43 CA GLU A 3 0.252 2.541 -5.564 1.00 0.00 C ATOM 44 C GLU A 3 1.368 1.914 -6.395 1.00 0.00 C ATOM 45 O GLU A 3 1.453 2.132 -7.603 1.00 0.00 O ATOM 46 CB GLU A 3 0.742 3.847 -4.936 1.00 0.00 C ATOM 47 CG GLU A 3 -0.371 4.843 -4.658 1.00 0.00 C ATOM 48 CD GLU A 3 -0.945 5.446 -5.926 1.00 0.00 C ATOM 49 OE1 GLU A 3 -0.258 6.283 -6.548 1.00 0.00 O ATOM 50 OE2 GLU A 3 -2.080 5.080 -6.297 1.00 0.00 O ATOM 0 H GLU A 3 -0.159 1.994 -3.582 1.00 0.00 H new ATOM 0 HA GLU A 3 -0.591 2.756 -6.221 1.00 0.00 H new ATOM 0 HB2 GLU A 3 1.257 3.621 -4.003 1.00 0.00 H new ATOM 0 HB3 GLU A 3 1.473 4.308 -5.600 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -1.167 4.347 -4.103 1.00 0.00 H new ATOM 0 HG3 GLU A 3 0.011 5.641 -4.021 1.00 0.00 H new ATOM 57 N GLU A 4 2.221 1.134 -5.738 1.00 0.00 N ATOM 58 CA GLU A 4 3.332 0.477 -6.416 1.00 0.00 C ATOM 59 C GLU A 4 2.828 -0.620 -7.349 1.00 0.00 C ATOM 60 O GLU A 4 3.259 -0.719 -8.498 1.00 0.00 O ATOM 61 CB GLU A 4 4.305 -0.115 -5.394 1.00 0.00 C ATOM 62 CG GLU A 4 4.990 -1.384 -5.870 1.00 0.00 C ATOM 63 CD GLU A 4 5.752 -1.185 -7.166 1.00 0.00 C ATOM 64 OE1 GLU A 4 6.034 -0.021 -7.516 1.00 0.00 O ATOM 65 OE2 GLU A 4 6.065 -2.196 -7.830 1.00 0.00 O ATOM 0 H GLU A 4 2.164 0.942 -4.738 1.00 0.00 H new ATOM 0 HA GLU A 4 3.854 1.226 -7.012 1.00 0.00 H new ATOM 0 HB2 GLU A 4 5.064 0.629 -5.154 1.00 0.00 H new ATOM 0 HB3 GLU A 4 3.765 -0.328 -4.472 1.00 0.00 H new ATOM 0 HG2 GLU A 4 5.677 -1.733 -5.099 1.00 0.00 H new ATOM 0 HG3 GLU A 4 4.243 -2.166 -6.008 1.00 0.00 H new ATOM 72 N MET A 5 1.913 -1.442 -6.846 1.00 0.00 N ATOM 73 CA MET A 5 1.349 -2.532 -7.634 1.00 0.00 C ATOM 74 C MET A 5 0.533 -1.991 -8.804 1.00 0.00 C ATOM 75 O MET A 5 0.591 -2.523 -9.913 1.00 0.00 O ATOM 76 CB MET A 5 0.472 -3.425 -6.755 1.00 0.00 C ATOM 77 CG MET A 5 1.213 -4.616 -6.168 1.00 0.00 C ATOM 78 SD MET A 5 2.089 -4.207 -4.646 1.00 0.00 S ATOM 79 CE MET A 5 3.736 -4.792 -5.035 1.00 0.00 C ATOM 0 H MET A 5 1.546 -1.374 -5.897 1.00 0.00 H new ATOM 0 HA MET A 5 2.173 -3.124 -8.032 1.00 0.00 H new ATOM 0 HB2 MET A 5 0.059 -2.828 -5.942 1.00 0.00 H new ATOM 0 HB3 MET A 5 -0.371 -3.786 -7.345 1.00 0.00 H new ATOM 0 HG2 MET A 5 0.503 -5.419 -5.970 1.00 0.00 H new ATOM 0 HG3 MET A 5 1.925 -4.994 -6.902 1.00 0.00 H new ATOM 0 HE1 MET A 5 4.449 -4.366 -4.330 1.00 0.00 H new ATOM 0 HE2 MET A 5 3.762 -5.879 -4.965 1.00 0.00 H new ATOM 0 HE3 MET A 5 4.001 -4.487 -6.047 1.00 0.00 H new ATOM 89 N VAL A 6 -0.228 -0.932 -8.549 1.00 0.00 N ATOM 90 CA VAL A 6 -1.055 -0.319 -9.582 1.00 0.00 C ATOM 91 C VAL A 6 -0.196 0.341 -10.655 1.00 0.00 C ATOM 92 O VAL A 6 -0.449 0.188 -11.850 1.00 0.00 O ATOM 93 CB VAL A 6 -2.009 0.733 -8.985 1.00 0.00 C ATOM 94 CG1 VAL A 6 -2.834 1.389 -10.082 1.00 0.00 C ATOM 95 CG2 VAL A 6 -2.910 0.100 -7.936 1.00 0.00 C ATOM 0 H VAL A 6 -0.289 -0.481 -7.636 1.00 0.00 H new ATOM 0 HA VAL A 6 -1.643 -1.119 -10.033 1.00 0.00 H new ATOM 0 HB VAL A 6 -1.412 1.506 -8.500 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -3.502 2.129 -9.642 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -2.169 1.878 -10.794 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -3.423 0.630 -10.598 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -3.577 0.857 -7.525 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -3.500 -0.694 -8.394 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -2.299 -0.318 -7.136 1.00 0.00 H new ATOM 105 N LYS A 7 0.823 1.075 -10.221 1.00 0.00 N ATOM 106 CA LYS A 7 1.722 1.758 -11.143 1.00 0.00 C ATOM 107 C LYS A 7 2.496 0.754 -11.991 1.00 0.00 C ATOM 108 O LYS A 7 2.617 0.914 -13.206 1.00 0.00 O ATOM 109 CB LYS A 7 2.698 2.649 -10.371 1.00 0.00 C ATOM 110 CG LYS A 7 3.512 3.573 -11.260 1.00 0.00 C ATOM 111 CD LYS A 7 4.171 4.682 -10.457 1.00 0.00 C ATOM 112 CE LYS A 7 4.933 5.644 -11.355 1.00 0.00 C ATOM 113 NZ LYS A 7 6.258 5.096 -11.757 1.00 0.00 N ATOM 0 H LYS A 7 1.047 1.212 -9.235 1.00 0.00 H new ATOM 0 HA LYS A 7 1.119 2.379 -11.806 1.00 0.00 H new ATOM 0 HB2 LYS A 7 2.139 3.249 -9.653 1.00 0.00 H new ATOM 0 HB3 LYS A 7 3.378 2.018 -9.798 1.00 0.00 H new ATOM 0 HG2 LYS A 7 4.276 2.997 -11.782 1.00 0.00 H new ATOM 0 HG3 LYS A 7 2.866 4.009 -12.022 1.00 0.00 H new ATOM 0 HD2 LYS A 7 3.411 5.229 -9.898 1.00 0.00 H new ATOM 0 HD3 LYS A 7 4.853 4.247 -9.726 1.00 0.00 H new ATOM 0 HE2 LYS A 7 4.342 5.855 -12.246 1.00 0.00 H new ATOM 0 HE3 LYS A 7 5.074 6.591 -10.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 6.746 5.781 -12.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 6.832 4.919 -10.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 6.122 4.205 -12.276 1.00 0.00 H new ATOM 127 N LYS A 8 3.018 -0.283 -11.344 1.00 0.00 N ATOM 128 CA LYS A 8 3.778 -1.315 -12.038 1.00 0.00 C ATOM 129 C LYS A 8 2.904 -2.044 -13.053 1.00 0.00 C ATOM 130 O LYS A 8 3.302 -2.238 -14.203 1.00 0.00 O ATOM 131 CB LYS A 8 4.355 -2.315 -11.034 1.00 0.00 C ATOM 132 CG LYS A 8 5.191 -3.409 -11.676 1.00 0.00 C ATOM 133 CD LYS A 8 6.362 -2.831 -12.454 1.00 0.00 C ATOM 134 CE LYS A 8 7.435 -3.879 -12.705 1.00 0.00 C ATOM 135 NZ LYS A 8 8.104 -4.302 -11.443 1.00 0.00 N ATOM 0 H LYS A 8 2.928 -0.431 -10.339 1.00 0.00 H new ATOM 0 HA LYS A 8 4.597 -0.832 -12.571 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.969 -1.778 -10.311 1.00 0.00 H new ATOM 0 HB3 LYS A 8 3.536 -2.773 -10.479 1.00 0.00 H new ATOM 0 HG2 LYS A 8 5.563 -4.084 -10.905 1.00 0.00 H new ATOM 0 HG3 LYS A 8 4.566 -4.001 -12.344 1.00 0.00 H new ATOM 0 HD2 LYS A 8 6.008 -2.436 -13.406 1.00 0.00 H new ATOM 0 HD3 LYS A 8 6.790 -1.995 -11.901 1.00 0.00 H new ATOM 0 HE2 LYS A 8 6.988 -4.748 -13.188 1.00 0.00 H new ATOM 0 HE3 LYS A 8 8.179 -3.479 -13.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 9.037 -4.706 -11.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 8.222 -3.478 -10.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 7.521 -5.018 -10.964 1.00 0.00 H new ATOM 149 N CYS A 9 1.714 -2.445 -12.622 1.00 0.00 N ATOM 150 CA CYS A 9 0.783 -3.152 -13.495 1.00 0.00 C ATOM 151 C CYS A 9 0.439 -2.311 -14.719 1.00 0.00 C ATOM 152 O CYS A 9 0.499 -2.791 -15.852 1.00 0.00 O ATOM 153 CB CYS A 9 -0.493 -3.509 -12.731 1.00 0.00 C ATOM 154 SG CYS A 9 -0.549 -5.218 -12.143 1.00 0.00 S ATOM 0 H CYS A 9 1.370 -2.293 -11.674 1.00 0.00 H new ATOM 0 HA CYS A 9 1.265 -4.070 -13.832 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -0.592 -2.839 -11.877 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -1.352 -3.330 -13.377 1.00 0.00 H new ATOM 0 HG CYS A 9 -0.142 -5.266 -10.909 1.00 0.00 H new ATOM 160 N LEU A 10 0.077 -1.055 -14.485 1.00 0.00 N ATOM 161 CA LEU A 10 -0.279 -0.146 -15.569 1.00 0.00 C ATOM 162 C LEU A 10 0.876 0.005 -16.554 1.00 0.00 C ATOM 163 O LEU A 10 0.680 -0.040 -17.768 1.00 0.00 O ATOM 164 CB LEU A 10 -0.667 1.223 -15.007 1.00 0.00 C ATOM 165 CG LEU A 10 -2.154 1.576 -15.068 1.00 0.00 C ATOM 166 CD1 LEU A 10 -2.507 2.584 -13.985 1.00 0.00 C ATOM 167 CD2 LEU A 10 -2.518 2.117 -16.443 1.00 0.00 C ATOM 0 H LEU A 10 0.022 -0.642 -13.554 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.132 -0.569 -16.099 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -0.345 1.271 -13.967 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -0.110 1.987 -15.549 1.00 0.00 H new ATOM 0 HG LEU A 10 -2.731 0.668 -14.893 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.569 2.824 -14.043 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -2.284 2.159 -13.006 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.922 3.492 -14.128 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.580 2.363 -16.468 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -1.933 3.014 -16.648 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -2.302 1.363 -17.200 1.00 0.00 H new ATOM 179 N GLY A 11 2.082 0.183 -16.022 1.00 0.00 N ATOM 180 CA GLY A 11 3.251 0.336 -16.868 1.00 0.00 C ATOM 181 C GLY A 11 3.466 -0.856 -17.780 1.00 0.00 C ATOM 182 O GLY A 11 3.695 -0.694 -18.978 1.00 0.00 O ATOM 0 H GLY A 11 2.270 0.224 -15.020 1.00 0.00 H new ATOM 0 HA2 GLY A 11 3.143 1.237 -17.472 1.00 0.00 H new ATOM 0 HA3 GLY A 11 4.133 0.475 -16.243 1.00 0.00 H new ATOM 186 N GLU A 12 3.394 -2.055 -17.211 1.00 0.00 N ATOM 187 CA GLU A 12 3.586 -3.278 -17.982 1.00 0.00 C ATOM 188 C GLU A 12 2.438 -3.486 -18.966 1.00 0.00 C ATOM 189 O GLU A 12 2.632 -4.017 -20.060 1.00 0.00 O ATOM 190 CB GLU A 12 3.696 -4.484 -17.047 1.00 0.00 C ATOM 191 CG GLU A 12 5.128 -4.855 -16.698 1.00 0.00 C ATOM 192 CD GLU A 12 5.982 -5.104 -17.926 1.00 0.00 C ATOM 193 OE1 GLU A 12 5.965 -6.243 -18.439 1.00 0.00 O ATOM 194 OE2 GLU A 12 6.667 -4.161 -18.374 1.00 0.00 O ATOM 0 H GLU A 12 3.204 -2.206 -16.220 1.00 0.00 H new ATOM 0 HA GLU A 12 4.513 -3.180 -18.547 1.00 0.00 H new ATOM 0 HB2 GLU A 12 3.150 -4.271 -16.128 1.00 0.00 H new ATOM 0 HB3 GLU A 12 3.211 -5.341 -17.515 1.00 0.00 H new ATOM 0 HG2 GLU A 12 5.573 -4.055 -16.107 1.00 0.00 H new ATOM 0 HG3 GLU A 12 5.126 -5.749 -16.074 1.00 0.00 H new ATOM 201 N LEU A 13 1.242 -3.066 -18.568 1.00 0.00 N ATOM 202 CA LEU A 13 0.062 -3.206 -19.413 1.00 0.00 C ATOM 203 C LEU A 13 0.191 -2.358 -20.674 1.00 0.00 C ATOM 204 O LEU A 13 -0.155 -2.798 -21.771 1.00 0.00 O ATOM 205 CB LEU A 13 -1.195 -2.803 -18.640 1.00 0.00 C ATOM 206 CG LEU A 13 -2.453 -3.621 -18.930 1.00 0.00 C ATOM 207 CD1 LEU A 13 -2.217 -5.092 -18.623 1.00 0.00 C ATOM 208 CD2 LEU A 13 -3.632 -3.089 -18.129 1.00 0.00 C ATOM 0 H LEU A 13 1.064 -2.626 -17.665 1.00 0.00 H new ATOM 0 HA LEU A 13 -0.020 -4.252 -19.708 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.979 -2.872 -17.574 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.409 -1.756 -18.855 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.688 -3.526 -19.990 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.124 -5.658 -18.836 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.402 -5.467 -19.242 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.956 -5.207 -17.571 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.519 -3.684 -18.348 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.407 -3.152 -17.064 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.816 -2.049 -18.400 1.00 0.00 H new ATOM 220 N THR A 14 0.693 -1.137 -20.511 1.00 0.00 N ATOM 221 CA THR A 14 0.870 -0.227 -21.635 1.00 0.00 C ATOM 222 C THR A 14 1.784 -0.832 -22.694 1.00 0.00 C ATOM 223 O THR A 14 1.507 -0.744 -23.890 1.00 0.00 O ATOM 224 CB THR A 14 1.454 1.123 -21.179 1.00 0.00 C ATOM 225 OG1 THR A 14 0.641 1.683 -20.141 1.00 0.00 O ATOM 226 CG2 THR A 14 1.540 2.097 -22.344 1.00 0.00 C ATOM 0 H THR A 14 0.984 -0.756 -19.611 1.00 0.00 H new ATOM 0 HA THR A 14 -0.118 -0.060 -22.064 1.00 0.00 H new ATOM 0 HB THR A 14 2.460 0.948 -20.798 1.00 0.00 H new ATOM 0 HG1 THR A 14 0.750 1.158 -19.321 1.00 0.00 H new ATOM 0 HG21 THR A 14 1.955 3.043 -21.997 1.00 0.00 H new ATOM 0 HG22 THR A 14 2.183 1.681 -23.119 1.00 0.00 H new ATOM 0 HG23 THR A 14 0.543 2.266 -22.751 1.00 0.00 H new ATOM 234 N GLU A 15 2.875 -1.445 -22.247 1.00 0.00 N ATOM 235 CA GLU A 15 3.831 -2.064 -23.158 1.00 0.00 C ATOM 236 C GLU A 15 3.216 -3.279 -23.848 1.00 0.00 C ATOM 237 O GLU A 15 3.289 -3.415 -25.069 1.00 0.00 O ATOM 238 CB GLU A 15 5.095 -2.479 -22.402 1.00 0.00 C ATOM 239 CG GLU A 15 5.679 -1.373 -21.539 1.00 0.00 C ATOM 240 CD GLU A 15 7.195 -1.385 -21.523 1.00 0.00 C ATOM 241 OE1 GLU A 15 7.804 -1.014 -22.548 1.00 0.00 O ATOM 242 OE2 GLU A 15 7.773 -1.766 -20.483 1.00 0.00 O ATOM 0 H GLU A 15 3.119 -1.526 -21.260 1.00 0.00 H new ATOM 0 HA GLU A 15 4.096 -1.330 -23.919 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.865 -3.338 -21.771 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.848 -2.804 -23.120 1.00 0.00 H new ATOM 0 HG2 GLU A 15 5.331 -0.408 -21.907 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.308 -1.478 -20.520 1.00 0.00 H new ATOM 249 N VAL A 16 2.611 -4.159 -23.057 1.00 0.00 N ATOM 250 CA VAL A 16 1.983 -5.361 -23.591 1.00 0.00 C ATOM 251 C VAL A 16 0.880 -5.011 -24.583 1.00 0.00 C ATOM 252 O VAL A 16 0.814 -5.573 -25.677 1.00 0.00 O ATOM 253 CB VAL A 16 1.390 -6.231 -22.466 1.00 0.00 C ATOM 254 CG1 VAL A 16 0.711 -7.463 -23.045 1.00 0.00 C ATOM 255 CG2 VAL A 16 2.471 -6.626 -21.472 1.00 0.00 C ATOM 0 H VAL A 16 2.543 -4.062 -22.044 1.00 0.00 H new ATOM 0 HA VAL A 16 2.763 -5.924 -24.104 1.00 0.00 H new ATOM 0 HB VAL A 16 0.638 -5.646 -21.937 1.00 0.00 H new ATOM 0 HG11 VAL A 16 0.298 -8.065 -22.236 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.092 -7.155 -23.714 1.00 0.00 H new ATOM 0 HG13 VAL A 16 1.440 -8.053 -23.601 1.00 0.00 H new ATOM 0 HG21 VAL A 16 2.034 -7.240 -20.684 1.00 0.00 H new ATOM 0 HG22 VAL A 16 3.248 -7.193 -21.985 1.00 0.00 H new ATOM 0 HG23 VAL A 16 2.907 -5.729 -21.033 1.00 0.00 H new ATOM 265 N CYS A 17 0.016 -4.080 -24.195 1.00 0.00 N ATOM 266 CA CYS A 17 -1.085 -3.654 -25.050 1.00 0.00 C ATOM 267 C CYS A 17 -0.563 -2.956 -26.302 1.00 0.00 C ATOM 268 O CYS A 17 -1.120 -3.108 -27.389 1.00 0.00 O ATOM 269 CB CYS A 17 -2.023 -2.720 -24.284 1.00 0.00 C ATOM 270 SG CYS A 17 -2.926 -3.523 -22.938 1.00 0.00 S ATOM 0 H CYS A 17 0.057 -3.606 -23.293 1.00 0.00 H new ATOM 0 HA CYS A 17 -1.639 -4.542 -25.355 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -1.441 -1.894 -23.875 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -2.740 -2.290 -24.983 1.00 0.00 H new ATOM 0 HG CYS A 17 -3.691 -2.653 -22.349 1.00 0.00 H new ATOM 276 N LYS A 18 0.509 -2.187 -26.140 1.00 0.00 N ATOM 277 CA LYS A 18 1.107 -1.463 -27.255 1.00 0.00 C ATOM 278 C LYS A 18 1.618 -2.430 -28.319 1.00 0.00 C ATOM 279 O LYS A 18 1.360 -2.249 -29.510 1.00 0.00 O ATOM 280 CB LYS A 18 2.255 -0.581 -26.760 1.00 0.00 C ATOM 281 CG LYS A 18 2.897 0.253 -27.855 1.00 0.00 C ATOM 282 CD LYS A 18 4.125 -0.433 -28.430 1.00 0.00 C ATOM 283 CE LYS A 18 5.397 0.026 -27.733 1.00 0.00 C ATOM 284 NZ LYS A 18 5.688 1.462 -27.997 1.00 0.00 N ATOM 0 H LYS A 18 0.981 -2.049 -25.246 1.00 0.00 H new ATOM 0 HA LYS A 18 0.338 -0.832 -27.701 1.00 0.00 H new ATOM 0 HB2 LYS A 18 1.882 0.083 -25.981 1.00 0.00 H new ATOM 0 HB3 LYS A 18 3.016 -1.213 -26.303 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.173 0.431 -28.650 1.00 0.00 H new ATOM 0 HG3 LYS A 18 3.177 1.227 -27.455 1.00 0.00 H new ATOM 0 HD2 LYS A 18 4.022 -1.513 -28.327 1.00 0.00 H new ATOM 0 HD3 LYS A 18 4.196 -0.220 -29.497 1.00 0.00 H new ATOM 0 HE2 LYS A 18 5.300 -0.133 -26.659 1.00 0.00 H new ATOM 0 HE3 LYS A 18 6.236 -0.582 -28.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 6.710 1.631 -27.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 5.380 1.707 -28.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 5.177 2.052 -27.309 1.00 0.00 H new ATOM 298 N SER A 19 2.341 -3.456 -27.883 1.00 0.00 N ATOM 299 CA SER A 19 2.889 -4.449 -28.799 1.00 0.00 C ATOM 300 C SER A 19 1.773 -5.242 -29.472 1.00 0.00 C ATOM 301 O SER A 19 1.793 -5.458 -30.685 1.00 0.00 O ATOM 302 CB SER A 19 3.826 -5.400 -28.052 1.00 0.00 C ATOM 303 OG SER A 19 4.760 -5.995 -28.936 1.00 0.00 O ATOM 0 H SER A 19 2.561 -3.621 -26.901 1.00 0.00 H new ATOM 0 HA SER A 19 3.454 -3.924 -29.569 1.00 0.00 H new ATOM 0 HB2 SER A 19 4.356 -4.854 -27.271 1.00 0.00 H new ATOM 0 HB3 SER A 19 3.242 -6.177 -27.558 1.00 0.00 H new ATOM 0 HG SER A 19 5.348 -6.597 -28.434 1.00 0.00 H new ATOM 309 N LEU A 20 0.800 -5.672 -28.677 1.00 0.00 N ATOM 310 CA LEU A 20 -0.327 -6.442 -29.195 1.00 0.00 C ATOM 311 C LEU A 20 -1.122 -5.627 -30.210 1.00 0.00 C ATOM 312 O LEU A 20 -1.511 -6.135 -31.261 1.00 0.00 O ATOM 313 CB LEU A 20 -1.240 -6.881 -28.048 1.00 0.00 C ATOM 314 CG LEU A 20 -0.834 -8.163 -27.321 1.00 0.00 C ATOM 315 CD1 LEU A 20 -1.275 -8.114 -25.866 1.00 0.00 C ATOM 316 CD2 LEU A 20 -1.423 -9.381 -28.018 1.00 0.00 C ATOM 0 H LEU A 20 0.768 -5.501 -27.672 1.00 0.00 H new ATOM 0 HA LEU A 20 0.068 -7.326 -29.696 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.288 -6.073 -27.318 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.247 -7.014 -28.442 1.00 0.00 H new ATOM 0 HG LEU A 20 0.253 -8.244 -27.347 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.977 -9.035 -25.364 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.805 -7.264 -25.372 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.359 -8.008 -25.818 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.124 -10.284 -27.487 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.510 -9.307 -28.023 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.057 -9.425 -29.044 1.00 0.00 H new ATOM 328 N GLY A 21 -1.358 -4.359 -29.889 1.00 0.00 N ATOM 329 CA GLY A 21 -2.104 -3.493 -30.784 1.00 0.00 C ATOM 330 C GLY A 21 -1.318 -3.130 -32.028 1.00 0.00 C ATOM 331 O GLY A 21 -1.893 -2.916 -33.095 1.00 0.00 O ATOM 0 H GLY A 21 -1.046 -3.916 -29.025 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -3.031 -3.988 -31.075 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -2.382 -2.582 -30.255 1.00 0.00 H new ATOM 335 N LYS A 22 0.002 -3.058 -31.891 1.00 0.00 N ATOM 336 CA LYS A 22 0.870 -2.717 -33.012 1.00 0.00 C ATOM 337 C LYS A 22 0.893 -3.841 -34.044 1.00 0.00 C ATOM 338 O LYS A 22 0.759 -3.599 -35.243 1.00 0.00 O ATOM 339 CB LYS A 22 2.290 -2.435 -32.517 1.00 0.00 C ATOM 340 CG LYS A 22 2.530 -0.981 -32.153 1.00 0.00 C ATOM 341 CD LYS A 22 3.974 -0.576 -32.394 1.00 0.00 C ATOM 342 CE LYS A 22 4.269 -0.421 -33.878 1.00 0.00 C ATOM 343 NZ LYS A 22 3.397 0.607 -34.512 1.00 0.00 N ATOM 0 H LYS A 22 0.494 -3.231 -31.014 1.00 0.00 H new ATOM 0 HA LYS A 22 0.473 -1.820 -33.487 1.00 0.00 H new ATOM 0 HB2 LYS A 22 2.492 -3.057 -31.645 1.00 0.00 H new ATOM 0 HB3 LYS A 22 3.000 -2.729 -33.290 1.00 0.00 H new ATOM 0 HG2 LYS A 22 1.870 -0.344 -32.742 1.00 0.00 H new ATOM 0 HG3 LYS A 22 2.277 -0.821 -31.105 1.00 0.00 H new ATOM 0 HD2 LYS A 22 4.180 0.363 -31.881 1.00 0.00 H new ATOM 0 HD3 LYS A 22 4.640 -1.326 -31.966 1.00 0.00 H new ATOM 0 HE2 LYS A 22 5.315 -0.144 -34.014 1.00 0.00 H new ATOM 0 HE3 LYS A 22 4.125 -1.378 -34.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 3.977 1.240 -35.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 2.685 0.139 -35.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 2.920 1.161 -33.773 1.00 0.00 H new ATOM 357 N VAL A 23 1.063 -5.071 -33.569 1.00 0.00 N ATOM 358 CA VAL A 23 1.101 -6.232 -34.449 1.00 0.00 C ATOM 359 C VAL A 23 -0.267 -6.497 -35.068 1.00 0.00 C ATOM 360 O VAL A 23 -0.372 -6.845 -36.244 1.00 0.00 O ATOM 361 CB VAL A 23 1.565 -7.493 -33.696 1.00 0.00 C ATOM 362 CG1 VAL A 23 3.002 -7.335 -33.225 1.00 0.00 C ATOM 363 CG2 VAL A 23 0.640 -7.783 -32.523 1.00 0.00 C ATOM 0 H VAL A 23 1.177 -5.289 -32.579 1.00 0.00 H new ATOM 0 HA VAL A 23 1.817 -6.007 -35.239 1.00 0.00 H new ATOM 0 HB VAL A 23 1.523 -8.340 -34.381 1.00 0.00 H new ATOM 0 HG11 VAL A 23 3.312 -8.236 -32.695 1.00 0.00 H new ATOM 0 HG12 VAL A 23 3.652 -7.178 -34.086 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.073 -6.478 -32.556 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.982 -8.677 -32.002 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.648 -6.937 -31.836 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.374 -7.943 -32.890 1.00 0.00 H new ATOM 373 N PHE A 24 -1.315 -6.331 -34.267 1.00 0.00 N ATOM 374 CA PHE A 24 -2.678 -6.552 -34.736 1.00 0.00 C ATOM 375 C PHE A 24 -3.060 -5.529 -35.802 1.00 0.00 C ATOM 376 O PHE A 24 -4.011 -5.729 -36.557 1.00 0.00 O ATOM 377 CB PHE A 24 -3.661 -6.478 -33.566 1.00 0.00 C ATOM 378 CG PHE A 24 -4.025 -7.821 -33.002 1.00 0.00 C ATOM 379 CD1 PHE A 24 -4.535 -8.816 -33.821 1.00 0.00 C ATOM 380 CD2 PHE A 24 -3.857 -8.090 -31.653 1.00 0.00 C ATOM 381 CE1 PHE A 24 -4.871 -10.053 -33.305 1.00 0.00 C ATOM 382 CE2 PHE A 24 -4.192 -9.326 -31.131 1.00 0.00 C ATOM 383 CZ PHE A 24 -4.699 -10.309 -31.959 1.00 0.00 C ATOM 0 H PHE A 24 -1.246 -6.044 -33.291 1.00 0.00 H new ATOM 0 HA PHE A 24 -2.726 -7.547 -35.179 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -3.226 -5.867 -32.775 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -4.569 -5.974 -33.896 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -4.671 -8.622 -34.875 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -3.460 -7.325 -31.002 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -5.268 -10.819 -33.954 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -4.058 -9.523 -30.078 1.00 0.00 H new ATOM 0 HZ PHE A 24 -4.960 -11.276 -31.554 1.00 0.00 H new ATOM 393 N GLY A 25 -2.311 -4.432 -35.856 1.00 0.00 N ATOM 394 CA GLY A 25 -2.587 -3.393 -36.831 1.00 0.00 C ATOM 395 C GLY A 25 -3.637 -2.412 -36.352 1.00 0.00 C ATOM 396 O GLY A 25 -4.567 -2.078 -37.087 1.00 0.00 O ATOM 0 H GLY A 25 -1.518 -4.244 -35.242 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.666 -2.854 -37.054 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -2.921 -3.852 -37.762 1.00 0.00 H new ATOM 400 N VAL A 26 -3.491 -1.948 -35.115 1.00 0.00 N ATOM 401 CA VAL A 26 -4.436 -0.999 -34.537 1.00 0.00 C ATOM 402 C VAL A 26 -3.716 0.052 -33.699 1.00 0.00 C ATOM 403 O VAL A 26 -2.488 0.050 -33.602 1.00 0.00 O ATOM 404 CB VAL A 26 -5.482 -1.712 -33.659 1.00 0.00 C ATOM 405 CG1 VAL A 26 -6.447 -2.512 -34.521 1.00 0.00 C ATOM 406 CG2 VAL A 26 -4.798 -2.608 -32.638 1.00 0.00 C ATOM 0 H VAL A 26 -2.727 -2.214 -34.493 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.943 -0.511 -35.369 1.00 0.00 H new ATOM 0 HB VAL A 26 -6.054 -0.957 -33.120 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -7.178 -3.009 -33.883 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.961 -1.842 -35.209 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -5.893 -3.260 -35.089 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -5.552 -3.104 -32.026 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.199 -3.358 -33.155 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -4.152 -2.005 -32.000 1.00 0.00 H new ATOM 416 N HIS A 27 -4.488 0.949 -33.094 1.00 0.00 N ATOM 417 CA HIS A 27 -3.924 2.006 -32.262 1.00 0.00 C ATOM 418 C HIS A 27 -4.152 1.712 -30.783 1.00 0.00 C ATOM 419 O HIS A 27 -5.064 0.969 -30.420 1.00 0.00 O ATOM 420 CB HIS A 27 -4.543 3.356 -32.627 1.00 0.00 C ATOM 421 CG HIS A 27 -4.589 3.614 -34.102 1.00 0.00 C ATOM 422 ND1 HIS A 27 -3.479 3.529 -34.916 1.00 0.00 N ATOM 423 CD2 HIS A 27 -5.620 3.956 -34.909 1.00 0.00 C ATOM 424 CE1 HIS A 27 -3.826 3.809 -36.160 1.00 0.00 C ATOM 425 NE2 HIS A 27 -5.120 4.071 -36.183 1.00 0.00 N ATOM 0 H HIS A 27 -5.505 0.965 -33.164 1.00 0.00 H new ATOM 0 HA HIS A 27 -2.850 2.046 -32.445 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -5.556 3.402 -32.226 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -3.973 4.150 -32.145 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -6.646 4.110 -34.607 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -3.164 3.821 -37.013 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -5.660 4.319 -37.012 1.00 0.00 H new ATOM 433 N TYR A 28 -3.316 2.299 -29.933 1.00 0.00 N ATOM 434 CA TYR A 28 -3.424 2.098 -28.493 1.00 0.00 C ATOM 435 C TYR A 28 -4.820 2.461 -27.995 1.00 0.00 C ATOM 436 O TYR A 28 -5.391 1.768 -27.153 1.00 0.00 O ATOM 437 CB TYR A 28 -2.375 2.936 -27.760 1.00 0.00 C ATOM 438 CG TYR A 28 -2.503 4.421 -28.012 1.00 0.00 C ATOM 439 CD1 TYR A 28 -1.894 5.014 -29.111 1.00 0.00 C ATOM 440 CD2 TYR A 28 -3.232 5.232 -27.150 1.00 0.00 C ATOM 441 CE1 TYR A 28 -2.008 6.371 -29.345 1.00 0.00 C ATOM 442 CE2 TYR A 28 -3.352 6.589 -27.377 1.00 0.00 C ATOM 443 CZ TYR A 28 -2.737 7.154 -28.475 1.00 0.00 C ATOM 444 OH TYR A 28 -2.854 8.506 -28.705 1.00 0.00 O ATOM 0 H TYR A 28 -2.556 2.918 -30.217 1.00 0.00 H new ATOM 0 HA TYR A 28 -3.247 1.043 -28.285 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -2.456 2.749 -26.689 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -1.382 2.608 -28.066 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -1.322 4.404 -29.794 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -3.713 4.793 -26.288 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -1.529 6.816 -30.205 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -3.924 7.204 -26.699 1.00 0.00 H new ATOM 0 HH TYR A 28 -3.401 8.912 -28.000 1.00 0.00 H new ATOM 454 N PHE A 29 -5.364 3.552 -28.523 1.00 0.00 N ATOM 455 CA PHE A 29 -6.693 4.009 -28.134 1.00 0.00 C ATOM 456 C PHE A 29 -7.775 3.172 -28.808 1.00 0.00 C ATOM 457 O PHE A 29 -8.960 3.311 -28.507 1.00 0.00 O ATOM 458 CB PHE A 29 -6.874 5.485 -28.495 1.00 0.00 C ATOM 459 CG PHE A 29 -7.507 6.297 -27.402 1.00 0.00 C ATOM 460 CD1 PHE A 29 -6.808 6.585 -26.241 1.00 0.00 C ATOM 461 CD2 PHE A 29 -8.802 6.772 -27.534 1.00 0.00 C ATOM 462 CE1 PHE A 29 -7.387 7.332 -25.233 1.00 0.00 C ATOM 463 CE2 PHE A 29 -9.387 7.520 -26.530 1.00 0.00 C ATOM 464 CZ PHE A 29 -8.679 7.799 -25.377 1.00 0.00 C ATOM 0 H PHE A 29 -4.905 4.136 -29.222 1.00 0.00 H new ATOM 0 HA PHE A 29 -6.789 3.892 -27.055 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -5.901 5.913 -28.738 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -7.488 5.558 -29.393 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -5.798 6.221 -26.122 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -9.361 6.555 -28.432 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -6.830 7.550 -24.334 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -10.396 7.886 -26.647 1.00 0.00 H new ATOM 0 HZ PHE A 29 -9.135 8.381 -24.590 1.00 0.00 H new ATOM 474 N ASN A 30 -7.359 2.301 -29.722 1.00 0.00 N ATOM 475 CA ASN A 30 -8.292 1.442 -30.440 1.00 0.00 C ATOM 476 C ASN A 30 -8.460 0.104 -29.726 1.00 0.00 C ATOM 477 O ASN A 30 -9.379 -0.659 -30.025 1.00 0.00 O ATOM 478 CB ASN A 30 -7.806 1.210 -31.872 1.00 0.00 C ATOM 479 CG ASN A 30 -8.940 0.877 -32.822 1.00 0.00 C ATOM 480 OD1 ASN A 30 -9.058 1.648 -33.896 1.00 0.00 O flip ATOM 481 ND2 ASN A 30 -9.701 -0.063 -32.591 1.00 0.00 N flip ATOM 0 H ASN A 30 -6.381 2.172 -29.982 1.00 0.00 H new ATOM 0 HA ASN A 30 -9.260 1.943 -30.468 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -7.289 2.102 -32.226 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -7.080 0.397 -31.879 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -9.572 -0.629 -31.752 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -10.460 -0.276 -33.238 1.00 0.00 H new ATOM 488 N ILE A 31 -7.568 -0.172 -28.781 1.00 0.00 N ATOM 489 CA ILE A 31 -7.618 -1.416 -28.023 1.00 0.00 C ATOM 490 C ILE A 31 -7.951 -1.154 -26.558 1.00 0.00 C ATOM 491 O ILE A 31 -8.611 -1.963 -25.906 1.00 0.00 O ATOM 492 CB ILE A 31 -6.283 -2.180 -28.105 1.00 0.00 C ATOM 493 CG1 ILE A 31 -5.108 -1.220 -27.907 1.00 0.00 C ATOM 494 CG2 ILE A 31 -6.167 -2.900 -29.441 1.00 0.00 C ATOM 495 CD1 ILE A 31 -3.817 -1.915 -27.535 1.00 0.00 C ATOM 0 H ILE A 31 -6.802 0.449 -28.522 1.00 0.00 H new ATOM 0 HA ILE A 31 -8.404 -2.025 -28.469 1.00 0.00 H new ATOM 0 HB ILE A 31 -6.257 -2.924 -27.309 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -4.954 -0.652 -28.825 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -5.363 -0.502 -27.127 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -5.219 -3.435 -29.485 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -6.989 -3.608 -29.545 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -6.210 -2.172 -30.251 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -3.028 -1.174 -27.410 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.953 -2.460 -26.601 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -3.539 -2.612 -28.325 1.00 0.00 H new ATOM 507 N PHE A 32 -7.493 -0.016 -26.047 1.00 0.00 N ATOM 508 CA PHE A 32 -7.743 0.354 -24.659 1.00 0.00 C ATOM 509 C PHE A 32 -7.815 1.871 -24.505 1.00 0.00 C ATOM 510 O PHE A 32 -7.111 2.609 -25.192 1.00 0.00 O ATOM 511 CB PHE A 32 -6.646 -0.210 -23.753 1.00 0.00 C ATOM 512 CG PHE A 32 -5.293 0.391 -24.005 1.00 0.00 C ATOM 513 CD1 PHE A 32 -4.968 1.638 -23.497 1.00 0.00 C ATOM 514 CD2 PHE A 32 -4.345 -0.292 -24.750 1.00 0.00 C ATOM 515 CE1 PHE A 32 -3.724 2.194 -23.727 1.00 0.00 C ATOM 516 CE2 PHE A 32 -3.099 0.258 -24.983 1.00 0.00 C ATOM 517 CZ PHE A 32 -2.788 1.503 -24.472 1.00 0.00 C ATOM 0 H PHE A 32 -6.947 0.666 -26.573 1.00 0.00 H new ATOM 0 HA PHE A 32 -8.703 -0.070 -24.363 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -6.922 -0.040 -22.712 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -6.588 -1.289 -23.895 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -5.696 2.183 -22.914 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -4.583 -1.265 -25.153 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -3.484 3.167 -23.325 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -2.369 -0.285 -25.564 1.00 0.00 H new ATOM 0 HZ PHE A 32 -1.815 1.935 -24.654 1.00 0.00 H new ATOM 527 N ASN A 33 -8.673 2.327 -23.598 1.00 0.00 N ATOM 528 CA ASN A 33 -8.839 3.755 -23.354 1.00 0.00 C ATOM 529 C ASN A 33 -8.297 4.139 -21.981 1.00 0.00 C ATOM 530 O ASN A 33 -8.013 3.276 -21.149 1.00 0.00 O ATOM 531 CB ASN A 33 -10.316 4.143 -23.458 1.00 0.00 C ATOM 532 CG ASN A 33 -10.993 3.522 -24.664 1.00 0.00 C ATOM 533 OD1 ASN A 33 -11.748 2.558 -24.539 1.00 0.00 O ATOM 534 ND2 ASN A 33 -10.725 4.074 -25.842 1.00 0.00 N ATOM 0 H ASN A 33 -9.264 1.729 -23.020 1.00 0.00 H new ATOM 0 HA ASN A 33 -8.273 4.296 -24.113 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -10.836 3.831 -22.552 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -10.401 5.228 -23.516 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -11.151 3.700 -26.690 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -10.093 4.872 -25.899 1.00 0.00 H new ATOM 541 N THR A 34 -8.155 5.440 -21.749 1.00 0.00 N ATOM 542 CA THR A 34 -7.646 5.939 -20.478 1.00 0.00 C ATOM 543 C THR A 34 -8.438 5.369 -19.307 1.00 0.00 C ATOM 544 O THR A 34 -7.868 4.786 -18.384 1.00 0.00 O ATOM 545 CB THR A 34 -7.697 7.478 -20.417 1.00 0.00 C ATOM 546 OG1 THR A 34 -8.931 7.949 -20.971 1.00 0.00 O ATOM 547 CG2 THR A 34 -6.529 8.088 -21.176 1.00 0.00 C ATOM 0 H THR A 34 -8.386 6.168 -22.426 1.00 0.00 H new ATOM 0 HA THR A 34 -6.608 5.614 -20.404 1.00 0.00 H new ATOM 0 HB THR A 34 -7.629 7.781 -19.372 1.00 0.00 H new ATOM 0 HG1 THR A 34 -8.957 8.928 -20.927 1.00 0.00 H new ATOM 0 HG21 THR A 34 -6.586 9.175 -21.119 1.00 0.00 H new ATOM 0 HG22 THR A 34 -5.592 7.750 -20.734 1.00 0.00 H new ATOM 0 HG23 THR A 34 -6.571 7.777 -22.220 1.00 0.00 H new ATOM 555 N VAL A 35 -9.755 5.541 -19.350 1.00 0.00 N ATOM 556 CA VAL A 35 -10.626 5.042 -18.292 1.00 0.00 C ATOM 557 C VAL A 35 -10.490 3.532 -18.135 1.00 0.00 C ATOM 558 O VAL A 35 -10.476 3.010 -17.020 1.00 0.00 O ATOM 559 CB VAL A 35 -12.101 5.387 -18.571 1.00 0.00 C ATOM 560 CG1 VAL A 35 -12.968 5.031 -17.372 1.00 0.00 C ATOM 561 CG2 VAL A 35 -12.246 6.859 -18.925 1.00 0.00 C ATOM 0 H VAL A 35 -10.243 6.022 -20.106 1.00 0.00 H new ATOM 0 HA VAL A 35 -10.314 5.530 -17.368 1.00 0.00 H new ATOM 0 HB VAL A 35 -12.439 4.797 -19.423 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -14.007 5.282 -17.587 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -12.887 3.963 -17.169 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -12.632 5.593 -16.500 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -13.295 7.085 -19.119 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -11.891 7.470 -18.095 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -11.657 7.079 -19.815 1.00 0.00 H new ATOM 571 N THR A 36 -10.388 2.832 -19.261 1.00 0.00 N ATOM 572 CA THR A 36 -10.253 1.381 -19.249 1.00 0.00 C ATOM 573 C THR A 36 -9.042 0.948 -18.431 1.00 0.00 C ATOM 574 O THR A 36 -9.143 0.076 -17.567 1.00 0.00 O ATOM 575 CB THR A 36 -10.122 0.817 -20.677 1.00 0.00 C ATOM 576 OG1 THR A 36 -11.175 1.327 -21.503 1.00 0.00 O ATOM 577 CG2 THR A 36 -10.171 -0.703 -20.665 1.00 0.00 C ATOM 0 H THR A 36 -10.396 3.247 -20.193 1.00 0.00 H new ATOM 0 HA THR A 36 -11.159 0.983 -18.791 1.00 0.00 H new ATOM 0 HB THR A 36 -9.159 1.130 -21.081 1.00 0.00 H new ATOM 0 HG1 THR A 36 -12.037 0.998 -21.174 1.00 0.00 H new ATOM 0 HG21 THR A 36 -10.077 -1.078 -21.684 1.00 0.00 H new ATOM 0 HG22 THR A 36 -9.351 -1.089 -20.059 1.00 0.00 H new ATOM 0 HG23 THR A 36 -11.120 -1.033 -20.243 1.00 0.00 H new ATOM 585 N LEU A 37 -7.897 1.562 -18.708 1.00 0.00 N ATOM 586 CA LEU A 37 -6.665 1.241 -17.996 1.00 0.00 C ATOM 587 C LEU A 37 -6.788 1.578 -16.514 1.00 0.00 C ATOM 588 O LEU A 37 -6.390 0.795 -15.652 1.00 0.00 O ATOM 589 CB LEU A 37 -5.486 2.000 -18.608 1.00 0.00 C ATOM 590 CG LEU A 37 -5.254 1.786 -20.104 1.00 0.00 C ATOM 591 CD1 LEU A 37 -4.186 2.738 -20.620 1.00 0.00 C ATOM 592 CD2 LEU A 37 -4.863 0.342 -20.382 1.00 0.00 C ATOM 0 H LEU A 37 -7.796 2.285 -19.421 1.00 0.00 H new ATOM 0 HA LEU A 37 -6.488 0.170 -18.092 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.635 3.065 -18.433 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.579 1.713 -18.075 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.185 1.997 -20.630 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.034 2.571 -21.686 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.506 3.767 -20.456 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.251 2.559 -20.088 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.702 0.208 -21.452 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.945 0.104 -19.844 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.661 -0.322 -20.050 1.00 0.00 H new ATOM 604 N LYS A 38 -7.344 2.750 -16.224 1.00 0.00 N ATOM 605 CA LYS A 38 -7.524 3.191 -14.846 1.00 0.00 C ATOM 606 C LYS A 38 -8.274 2.142 -14.032 1.00 0.00 C ATOM 607 O LYS A 38 -7.823 1.731 -12.962 1.00 0.00 O ATOM 608 CB LYS A 38 -8.283 4.519 -14.809 1.00 0.00 C ATOM 609 CG LYS A 38 -7.907 5.403 -13.632 1.00 0.00 C ATOM 610 CD LYS A 38 -8.396 6.828 -13.827 1.00 0.00 C ATOM 611 CE LYS A 38 -7.514 7.591 -14.803 1.00 0.00 C ATOM 612 NZ LYS A 38 -7.993 8.986 -15.010 1.00 0.00 N ATOM 0 H LYS A 38 -7.678 3.411 -16.925 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.537 3.331 -14.404 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -8.094 5.062 -15.735 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -9.353 4.315 -14.772 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -8.334 4.993 -12.717 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -6.824 5.403 -13.507 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -9.422 6.815 -14.196 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -8.409 7.344 -12.867 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -6.490 7.610 -14.429 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -7.494 7.068 -15.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -7.365 9.473 -15.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -8.960 8.968 -15.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -7.988 9.493 -14.102 1.00 0.00 H new ATOM 626 N LYS A 39 -9.421 1.710 -14.545 1.00 0.00 N ATOM 627 CA LYS A 39 -10.233 0.706 -13.868 1.00 0.00 C ATOM 628 C LYS A 39 -9.496 -0.627 -13.788 1.00 0.00 C ATOM 629 O LYS A 39 -9.569 -1.329 -12.778 1.00 0.00 O ATOM 630 CB LYS A 39 -11.566 0.521 -14.598 1.00 0.00 C ATOM 631 CG LYS A 39 -12.690 1.376 -14.038 1.00 0.00 C ATOM 632 CD LYS A 39 -12.427 2.856 -14.256 1.00 0.00 C ATOM 633 CE LYS A 39 -11.696 3.473 -13.074 1.00 0.00 C ATOM 634 NZ LYS A 39 -12.138 4.872 -12.818 1.00 0.00 N ATOM 0 H LYS A 39 -9.810 2.040 -15.428 1.00 0.00 H new ATOM 0 HA LYS A 39 -10.426 1.055 -12.854 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -11.429 0.761 -15.653 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -11.857 -0.528 -14.545 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -13.631 1.099 -14.514 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -12.802 1.179 -12.972 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -11.836 2.992 -15.162 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -13.373 3.375 -14.412 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -11.870 2.869 -12.184 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -10.623 3.460 -13.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -11.617 5.257 -12.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -11.949 5.455 -13.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -13.157 4.882 -12.612 1.00 0.00 H new ATOM 648 N LEU A 40 -8.785 -0.969 -14.857 1.00 0.00 N ATOM 649 CA LEU A 40 -8.033 -2.218 -14.907 1.00 0.00 C ATOM 650 C LEU A 40 -7.071 -2.322 -13.727 1.00 0.00 C ATOM 651 O LEU A 40 -7.136 -3.267 -12.942 1.00 0.00 O ATOM 652 CB LEU A 40 -7.258 -2.317 -16.222 1.00 0.00 C ATOM 653 CG LEU A 40 -7.851 -3.245 -17.282 1.00 0.00 C ATOM 654 CD1 LEU A 40 -9.343 -2.993 -17.438 1.00 0.00 C ATOM 655 CD2 LEU A 40 -7.135 -3.061 -18.613 1.00 0.00 C ATOM 0 H LEU A 40 -8.713 -0.399 -15.700 1.00 0.00 H new ATOM 0 HA LEU A 40 -8.742 -3.043 -14.847 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -7.176 -1.317 -16.648 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.245 -2.653 -15.999 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.710 -4.275 -16.955 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -9.748 -3.663 -18.197 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -9.844 -3.176 -16.488 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.508 -1.959 -17.742 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.570 -3.730 -19.356 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -7.245 -2.029 -18.945 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.077 -3.293 -18.492 1.00 0.00 H new ATOM 667 N ALA A 41 -6.181 -1.342 -13.609 1.00 0.00 N ATOM 668 CA ALA A 41 -5.209 -1.321 -12.523 1.00 0.00 C ATOM 669 C ALA A 41 -5.896 -1.141 -11.174 1.00 0.00 C ATOM 670 O ALA A 41 -5.446 -1.676 -10.161 1.00 0.00 O ATOM 671 CB ALA A 41 -4.188 -0.216 -12.749 1.00 0.00 C ATOM 0 H ALA A 41 -6.113 -0.553 -14.252 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.693 -2.281 -12.513 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -3.469 -0.212 -11.930 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -3.666 -0.390 -13.690 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -4.697 0.747 -12.789 1.00 0.00 H new ATOM 677 N GLU A 42 -6.989 -0.384 -11.168 1.00 0.00 N ATOM 678 CA GLU A 42 -7.737 -0.133 -9.942 1.00 0.00 C ATOM 679 C GLU A 42 -8.255 -1.438 -9.344 1.00 0.00 C ATOM 680 O GLU A 42 -8.115 -1.682 -8.145 1.00 0.00 O ATOM 681 CB GLU A 42 -8.907 0.814 -10.217 1.00 0.00 C ATOM 682 CG GLU A 42 -8.594 2.271 -9.918 1.00 0.00 C ATOM 683 CD GLU A 42 -9.807 3.170 -10.060 1.00 0.00 C ATOM 684 OE1 GLU A 42 -10.932 2.693 -9.804 1.00 0.00 O ATOM 685 OE2 GLU A 42 -9.630 4.350 -10.428 1.00 0.00 O ATOM 0 H GLU A 42 -7.376 0.066 -11.998 1.00 0.00 H new ATOM 0 HA GLU A 42 -7.062 0.333 -9.224 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -9.200 0.721 -11.263 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -9.763 0.504 -9.617 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -8.202 2.354 -8.904 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -7.810 2.616 -10.592 1.00 0.00 H new ATOM 692 N SER A 43 -8.854 -2.272 -10.187 1.00 0.00 N ATOM 693 CA SER A 43 -9.397 -3.550 -9.742 1.00 0.00 C ATOM 694 C SER A 43 -8.277 -4.530 -9.408 1.00 0.00 C ATOM 695 O SER A 43 -8.267 -5.138 -8.337 1.00 0.00 O ATOM 696 CB SER A 43 -10.305 -4.145 -10.820 1.00 0.00 C ATOM 697 OG SER A 43 -9.556 -4.544 -11.955 1.00 0.00 O ATOM 0 H SER A 43 -8.976 -2.086 -11.182 1.00 0.00 H new ATOM 0 HA SER A 43 -9.982 -3.373 -8.840 1.00 0.00 H new ATOM 0 HB2 SER A 43 -10.842 -5.003 -10.415 1.00 0.00 H new ATOM 0 HB3 SER A 43 -11.054 -3.410 -11.115 1.00 0.00 H new ATOM 0 HG SER A 43 -9.215 -3.750 -12.417 1.00 0.00 H new ATOM 703 N LEU A 44 -7.333 -4.677 -10.331 1.00 0.00 N ATOM 704 CA LEU A 44 -6.206 -5.582 -10.136 1.00 0.00 C ATOM 705 C LEU A 44 -6.686 -6.966 -9.709 1.00 0.00 C ATOM 706 O LEU A 44 -6.130 -7.573 -8.795 1.00 0.00 O ATOM 707 CB LEU A 44 -5.248 -5.017 -9.086 1.00 0.00 C ATOM 708 CG LEU A 44 -3.762 -5.053 -9.444 1.00 0.00 C ATOM 709 CD1 LEU A 44 -3.513 -4.335 -10.761 1.00 0.00 C ATOM 710 CD2 LEU A 44 -2.930 -4.433 -8.331 1.00 0.00 C ATOM 0 H LEU A 44 -7.326 -4.181 -11.222 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.680 -5.677 -11.086 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.528 -3.983 -8.887 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -5.391 -5.570 -8.158 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.461 -6.094 -9.559 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.450 -4.371 -11.000 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -4.080 -4.823 -11.554 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.831 -3.296 -10.675 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.875 -4.467 -8.603 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -3.233 -3.396 -8.184 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.085 -4.991 -7.407 1.00 0.00 H new ATOM 722 N SER A 45 -7.722 -7.460 -10.380 1.00 0.00 N ATOM 723 CA SER A 45 -8.279 -8.771 -10.070 1.00 0.00 C ATOM 724 C SER A 45 -8.513 -9.577 -11.344 1.00 0.00 C ATOM 725 O SER A 45 -9.103 -9.083 -12.305 1.00 0.00 O ATOM 726 CB SER A 45 -9.591 -8.622 -9.299 1.00 0.00 C ATOM 727 OG SER A 45 -9.354 -8.222 -7.960 1.00 0.00 O ATOM 0 H SER A 45 -8.192 -6.972 -11.142 1.00 0.00 H new ATOM 0 HA SER A 45 -7.560 -9.306 -9.449 1.00 0.00 H new ATOM 0 HB2 SER A 45 -10.226 -7.887 -9.794 1.00 0.00 H new ATOM 0 HB3 SER A 45 -10.132 -9.568 -9.309 1.00 0.00 H new ATOM 0 HG SER A 45 -9.049 -7.291 -7.946 1.00 0.00 H new ATOM 733 N SER A 46 -8.046 -10.821 -11.344 1.00 0.00 N ATOM 734 CA SER A 46 -8.201 -11.696 -12.501 1.00 0.00 C ATOM 735 C SER A 46 -9.674 -11.870 -12.857 1.00 0.00 C ATOM 736 O SER A 46 -10.025 -12.052 -14.023 1.00 0.00 O ATOM 737 CB SER A 46 -7.566 -13.060 -12.224 1.00 0.00 C ATOM 738 OG SER A 46 -6.947 -13.085 -10.949 1.00 0.00 O ATOM 0 H SER A 46 -7.557 -11.246 -10.556 1.00 0.00 H new ATOM 0 HA SER A 46 -7.694 -11.232 -13.347 1.00 0.00 H new ATOM 0 HB2 SER A 46 -8.329 -13.837 -12.277 1.00 0.00 H new ATOM 0 HB3 SER A 46 -6.828 -13.284 -12.994 1.00 0.00 H new ATOM 0 HG SER A 46 -7.461 -13.663 -10.347 1.00 0.00 H new ATOM 744 N ASP A 47 -10.531 -11.814 -11.844 1.00 0.00 N ATOM 745 CA ASP A 47 -11.967 -11.964 -12.049 1.00 0.00 C ATOM 746 C ASP A 47 -12.438 -11.128 -13.234 1.00 0.00 C ATOM 747 O ASP A 47 -12.538 -9.903 -13.160 1.00 0.00 O ATOM 748 CB ASP A 47 -12.729 -11.557 -10.787 1.00 0.00 C ATOM 749 CG ASP A 47 -12.660 -12.614 -9.702 1.00 0.00 C ATOM 750 OD1 ASP A 47 -13.092 -13.758 -9.960 1.00 0.00 O ATOM 751 OD2 ASP A 47 -12.174 -12.298 -8.596 1.00 0.00 O ATOM 0 H ASP A 47 -10.257 -11.666 -10.873 1.00 0.00 H new ATOM 0 HA ASP A 47 -12.170 -13.013 -12.265 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -12.320 -10.622 -10.405 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -13.772 -11.369 -11.041 1.00 0.00 H new ATOM 756 N PRO A 48 -12.734 -11.802 -14.355 1.00 0.00 N ATOM 757 CA PRO A 48 -13.198 -11.141 -15.578 1.00 0.00 C ATOM 758 C PRO A 48 -14.606 -10.574 -15.431 1.00 0.00 C ATOM 759 O PRO A 48 -15.091 -9.859 -16.307 1.00 0.00 O ATOM 760 CB PRO A 48 -13.180 -12.265 -16.618 1.00 0.00 C ATOM 761 CG PRO A 48 -13.330 -13.517 -15.825 1.00 0.00 C ATOM 762 CD PRO A 48 -12.638 -13.263 -14.515 1.00 0.00 C ATOM 0 HA PRO A 48 -12.574 -10.288 -15.842 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -13.991 -12.152 -17.337 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -12.249 -12.265 -17.185 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -14.382 -13.757 -15.670 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -12.883 -14.364 -16.345 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -13.125 -13.790 -13.695 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -11.601 -13.597 -14.537 1.00 0.00 H new ATOM 770 N GLU A 49 -15.257 -10.898 -14.318 1.00 0.00 N ATOM 771 CA GLU A 49 -16.610 -10.420 -14.059 1.00 0.00 C ATOM 772 C GLU A 49 -16.624 -8.907 -13.862 1.00 0.00 C ATOM 773 O GLU A 49 -17.431 -8.199 -14.465 1.00 0.00 O ATOM 774 CB GLU A 49 -17.190 -11.112 -12.823 1.00 0.00 C ATOM 775 CG GLU A 49 -17.312 -12.619 -12.970 1.00 0.00 C ATOM 776 CD GLU A 49 -18.405 -13.025 -13.940 1.00 0.00 C ATOM 777 OE1 GLU A 49 -18.263 -12.740 -15.147 1.00 0.00 O ATOM 778 OE2 GLU A 49 -19.403 -13.627 -13.490 1.00 0.00 O ATOM 0 H GLU A 49 -14.870 -11.489 -13.582 1.00 0.00 H new ATOM 0 HA GLU A 49 -17.226 -10.662 -14.925 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -16.559 -10.889 -11.963 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -18.175 -10.695 -12.612 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -16.360 -13.025 -13.311 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -17.515 -13.060 -11.994 1.00 0.00 H new ATOM 785 N VAL A 50 -15.726 -8.418 -13.014 1.00 0.00 N ATOM 786 CA VAL A 50 -15.634 -6.990 -12.737 1.00 0.00 C ATOM 787 C VAL A 50 -15.143 -6.223 -13.960 1.00 0.00 C ATOM 788 O VAL A 50 -15.531 -5.076 -14.185 1.00 0.00 O ATOM 789 CB VAL A 50 -14.688 -6.707 -11.554 1.00 0.00 C ATOM 790 CG1 VAL A 50 -15.145 -7.459 -10.314 1.00 0.00 C ATOM 791 CG2 VAL A 50 -13.258 -7.077 -11.916 1.00 0.00 C ATOM 0 H VAL A 50 -15.051 -8.990 -12.506 1.00 0.00 H new ATOM 0 HA VAL A 50 -16.638 -6.653 -12.479 1.00 0.00 H new ATOM 0 HB VAL A 50 -14.718 -5.640 -11.334 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -14.465 -7.247 -9.489 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -16.152 -7.140 -10.046 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -15.146 -8.530 -10.518 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -12.603 -6.871 -11.069 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -13.208 -8.137 -12.163 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -12.936 -6.488 -12.775 1.00 0.00 H new ATOM 801 N LEU A 51 -14.288 -6.865 -14.749 1.00 0.00 N ATOM 802 CA LEU A 51 -13.743 -6.244 -15.952 1.00 0.00 C ATOM 803 C LEU A 51 -14.834 -6.030 -16.996 1.00 0.00 C ATOM 804 O LEU A 51 -14.846 -5.019 -17.699 1.00 0.00 O ATOM 805 CB LEU A 51 -12.626 -7.111 -16.536 1.00 0.00 C ATOM 806 CG LEU A 51 -11.697 -7.781 -15.523 1.00 0.00 C ATOM 807 CD1 LEU A 51 -10.584 -8.532 -16.235 1.00 0.00 C ATOM 808 CD2 LEU A 51 -11.119 -6.749 -14.565 1.00 0.00 C ATOM 0 H LEU A 51 -13.957 -7.815 -14.578 1.00 0.00 H new ATOM 0 HA LEU A 51 -13.334 -5.272 -15.676 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -13.080 -7.888 -17.151 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -12.022 -6.492 -17.199 1.00 0.00 H new ATOM 0 HG LEU A 51 -12.279 -8.498 -14.944 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -9.933 -9.002 -15.498 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -11.016 -9.298 -16.879 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -10.004 -7.835 -16.840 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -10.460 -7.244 -13.851 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -10.552 -6.007 -15.128 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -11.930 -6.256 -14.029 1.00 0.00 H new ATOM 820 N LEU A 52 -15.752 -6.986 -17.090 1.00 0.00 N ATOM 821 CA LEU A 52 -16.850 -6.902 -18.047 1.00 0.00 C ATOM 822 C LEU A 52 -17.681 -5.645 -17.811 1.00 0.00 C ATOM 823 O LEU A 52 -18.349 -5.152 -18.720 1.00 0.00 O ATOM 824 CB LEU A 52 -17.739 -8.142 -17.943 1.00 0.00 C ATOM 825 CG LEU A 52 -18.444 -8.571 -19.230 1.00 0.00 C ATOM 826 CD1 LEU A 52 -18.631 -10.080 -19.259 1.00 0.00 C ATOM 827 CD2 LEU A 52 -19.785 -7.864 -19.365 1.00 0.00 C ATOM 0 H LEU A 52 -15.758 -7.828 -16.515 1.00 0.00 H new ATOM 0 HA LEU A 52 -16.424 -6.852 -19.049 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -17.128 -8.974 -17.592 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -18.497 -7.959 -17.181 1.00 0.00 H new ATOM 0 HG LEU A 52 -17.818 -8.286 -20.076 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -19.134 -10.367 -20.182 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -17.658 -10.568 -19.210 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -19.235 -10.388 -18.406 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -20.273 -8.182 -20.287 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -20.417 -8.118 -18.514 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -19.627 -6.786 -19.391 1.00 0.00 H new ATOM 839 N GLN A 53 -17.633 -5.130 -16.587 1.00 0.00 N ATOM 840 CA GLN A 53 -18.381 -3.930 -16.233 1.00 0.00 C ATOM 841 C GLN A 53 -17.630 -2.674 -16.663 1.00 0.00 C ATOM 842 O GLN A 53 -18.222 -1.604 -16.807 1.00 0.00 O ATOM 843 CB GLN A 53 -18.642 -3.891 -14.726 1.00 0.00 C ATOM 844 CG GLN A 53 -19.454 -5.072 -14.219 1.00 0.00 C ATOM 845 CD GLN A 53 -19.928 -4.885 -12.791 1.00 0.00 C ATOM 846 OE1 GLN A 53 -21.126 -4.931 -12.511 1.00 0.00 O ATOM 847 NE2 GLN A 53 -18.987 -4.673 -11.878 1.00 0.00 N ATOM 0 H GLN A 53 -17.084 -5.525 -15.824 1.00 0.00 H new ATOM 0 HA GLN A 53 -19.335 -3.959 -16.759 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -17.687 -3.865 -14.201 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -19.166 -2.968 -14.480 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -20.317 -5.220 -14.868 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -18.850 -5.977 -14.282 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -18.006 -4.643 -12.155 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -19.246 -4.541 -10.900 1.00 0.00 H new ATOM 856 N ILE A 54 -16.324 -2.812 -16.865 1.00 0.00 N ATOM 857 CA ILE A 54 -15.493 -1.689 -17.279 1.00 0.00 C ATOM 858 C ILE A 54 -15.750 -1.322 -18.737 1.00 0.00 C ATOM 859 O ILE A 54 -15.569 -2.144 -19.636 1.00 0.00 O ATOM 860 CB ILE A 54 -13.996 -1.998 -17.096 1.00 0.00 C ATOM 861 CG1 ILE A 54 -13.724 -2.485 -15.671 1.00 0.00 C ATOM 862 CG2 ILE A 54 -13.158 -0.768 -17.410 1.00 0.00 C ATOM 863 CD1 ILE A 54 -12.290 -2.910 -15.441 1.00 0.00 C ATOM 0 H ILE A 54 -15.819 -3.690 -16.749 1.00 0.00 H new ATOM 0 HA ILE A 54 -15.762 -0.847 -16.642 1.00 0.00 H new ATOM 0 HB ILE A 54 -13.717 -2.790 -17.791 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -13.976 -1.690 -14.970 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -14.383 -3.325 -15.451 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -12.102 -1.003 -17.276 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -13.333 -0.462 -18.441 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -13.437 0.044 -16.738 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -12.170 -3.243 -14.410 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -12.040 -3.727 -16.118 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -11.626 -2.066 -15.629 1.00 0.00 H new ATOM 875 N ASP A 55 -16.172 -0.083 -18.964 1.00 0.00 N ATOM 876 CA ASP A 55 -16.451 0.394 -20.314 1.00 0.00 C ATOM 877 C ASP A 55 -15.261 0.145 -21.235 1.00 0.00 C ATOM 878 O ASP A 55 -14.172 0.676 -21.017 1.00 0.00 O ATOM 879 CB ASP A 55 -16.791 1.885 -20.291 1.00 0.00 C ATOM 880 CG ASP A 55 -17.505 2.336 -21.550 1.00 0.00 C ATOM 881 OD1 ASP A 55 -16.866 2.349 -22.622 1.00 0.00 O ATOM 882 OD2 ASP A 55 -18.704 2.674 -21.462 1.00 0.00 O ATOM 0 H ASP A 55 -16.328 0.609 -18.231 1.00 0.00 H new ATOM 0 HA ASP A 55 -17.307 -0.160 -20.699 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -17.418 2.098 -19.425 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -15.874 2.462 -20.170 1.00 0.00 H new ATOM 887 N GLY A 56 -15.476 -0.666 -22.266 1.00 0.00 N ATOM 888 CA GLY A 56 -14.412 -0.972 -23.205 1.00 0.00 C ATOM 889 C GLY A 56 -13.836 -2.358 -22.996 1.00 0.00 C ATOM 890 O GLY A 56 -12.619 -2.544 -23.024 1.00 0.00 O ATOM 0 H GLY A 56 -16.368 -1.117 -22.468 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -14.795 -0.890 -24.222 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -13.618 -0.233 -23.103 1.00 0.00 H new ATOM 894 N VAL A 57 -14.711 -3.336 -22.785 1.00 0.00 N ATOM 895 CA VAL A 57 -14.283 -4.713 -22.570 1.00 0.00 C ATOM 896 C VAL A 57 -15.219 -5.695 -23.266 1.00 0.00 C ATOM 897 O VAL A 57 -16.438 -5.634 -23.098 1.00 0.00 O ATOM 898 CB VAL A 57 -14.222 -5.054 -21.069 1.00 0.00 C ATOM 899 CG1 VAL A 57 -13.812 -6.505 -20.868 1.00 0.00 C ATOM 900 CG2 VAL A 57 -13.267 -4.116 -20.348 1.00 0.00 C ATOM 0 H VAL A 57 -15.722 -3.200 -22.758 1.00 0.00 H new ATOM 0 HA VAL A 57 -13.284 -4.804 -22.996 1.00 0.00 H new ATOM 0 HB VAL A 57 -15.216 -4.920 -20.643 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -13.774 -6.728 -19.802 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -14.539 -7.159 -21.350 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -12.829 -6.670 -21.308 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -13.236 -4.371 -19.289 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -12.269 -4.215 -20.774 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -13.610 -3.088 -20.463 1.00 0.00 H new ATOM 910 N THR A 58 -14.642 -6.601 -24.049 1.00 0.00 N ATOM 911 CA THR A 58 -15.424 -7.596 -24.772 1.00 0.00 C ATOM 912 C THR A 58 -14.767 -8.969 -24.701 1.00 0.00 C ATOM 913 O THR A 58 -13.589 -9.086 -24.364 1.00 0.00 O ATOM 914 CB THR A 58 -15.607 -7.202 -26.250 1.00 0.00 C ATOM 915 OG1 THR A 58 -14.370 -6.715 -26.783 1.00 0.00 O ATOM 916 CG2 THR A 58 -16.683 -6.137 -26.397 1.00 0.00 C ATOM 0 H THR A 58 -13.635 -6.666 -24.199 1.00 0.00 H new ATOM 0 HA THR A 58 -16.402 -7.639 -24.292 1.00 0.00 H new ATOM 0 HB THR A 58 -15.918 -8.088 -26.804 1.00 0.00 H new ATOM 0 HG1 THR A 58 -14.494 -6.468 -27.723 1.00 0.00 H new ATOM 0 HG21 THR A 58 -16.794 -5.875 -27.449 1.00 0.00 H new ATOM 0 HG22 THR A 58 -17.630 -6.521 -26.017 1.00 0.00 H new ATOM 0 HG23 THR A 58 -16.397 -5.251 -25.831 1.00 0.00 H new ATOM 924 N GLU A 59 -15.535 -10.006 -25.021 1.00 0.00 N ATOM 925 CA GLU A 59 -15.025 -11.371 -24.993 1.00 0.00 C ATOM 926 C GLU A 59 -13.774 -11.503 -25.856 1.00 0.00 C ATOM 927 O GLU A 59 -12.792 -12.126 -25.453 1.00 0.00 O ATOM 928 CB GLU A 59 -16.098 -12.350 -25.477 1.00 0.00 C ATOM 929 CG GLU A 59 -15.714 -13.809 -25.300 1.00 0.00 C ATOM 930 CD GLU A 59 -16.873 -14.752 -25.557 1.00 0.00 C ATOM 931 OE1 GLU A 59 -17.957 -14.534 -24.976 1.00 0.00 O ATOM 932 OE2 GLU A 59 -16.697 -15.709 -26.340 1.00 0.00 O ATOM 0 H GLU A 59 -16.512 -9.926 -25.302 1.00 0.00 H new ATOM 0 HA GLU A 59 -14.761 -11.612 -23.963 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -17.024 -12.158 -24.935 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -16.301 -12.162 -26.531 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -14.896 -14.051 -25.979 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -15.343 -13.963 -24.287 1.00 0.00 H new ATOM 939 N ASP A 60 -13.818 -10.912 -27.045 1.00 0.00 N ATOM 940 CA ASP A 60 -12.689 -10.962 -27.966 1.00 0.00 C ATOM 941 C ASP A 60 -11.508 -10.164 -27.422 1.00 0.00 C ATOM 942 O ASP A 60 -10.365 -10.619 -27.462 1.00 0.00 O ATOM 943 CB ASP A 60 -13.097 -10.422 -29.337 1.00 0.00 C ATOM 944 CG ASP A 60 -11.911 -10.231 -30.262 1.00 0.00 C ATOM 945 OD1 ASP A 60 -11.298 -9.144 -30.224 1.00 0.00 O ATOM 946 OD2 ASP A 60 -11.595 -11.170 -31.022 1.00 0.00 O ATOM 0 H ASP A 60 -14.624 -10.393 -27.394 1.00 0.00 H new ATOM 0 HA ASP A 60 -12.384 -12.003 -28.071 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -13.806 -11.109 -29.798 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -13.612 -9.470 -29.210 1.00 0.00 H new ATOM 951 N LYS A 61 -11.792 -8.969 -26.915 1.00 0.00 N ATOM 952 CA LYS A 61 -10.756 -8.106 -26.362 1.00 0.00 C ATOM 953 C LYS A 61 -10.050 -8.784 -25.192 1.00 0.00 C ATOM 954 O LYS A 61 -8.820 -8.845 -25.147 1.00 0.00 O ATOM 955 CB LYS A 61 -11.360 -6.776 -25.905 1.00 0.00 C ATOM 956 CG LYS A 61 -11.420 -5.726 -27.002 1.00 0.00 C ATOM 957 CD LYS A 61 -11.146 -4.335 -26.457 1.00 0.00 C ATOM 958 CE LYS A 61 -11.636 -3.256 -27.411 1.00 0.00 C ATOM 959 NZ LYS A 61 -11.585 -1.903 -26.792 1.00 0.00 N ATOM 0 H LYS A 61 -12.733 -8.576 -26.876 1.00 0.00 H new ATOM 0 HA LYS A 61 -10.022 -7.915 -27.145 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -12.367 -6.954 -25.529 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -10.773 -6.387 -25.073 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -10.691 -5.965 -27.776 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -12.403 -5.746 -27.473 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -11.637 -4.218 -25.491 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -10.076 -4.214 -26.287 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -11.026 -3.265 -28.314 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -12.659 -3.478 -27.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -11.829 -1.186 -27.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -12.264 -1.855 -26.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -10.626 -1.721 -26.433 1.00 0.00 H new ATOM 973 N LEU A 62 -10.834 -9.292 -24.248 1.00 0.00 N ATOM 974 CA LEU A 62 -10.284 -9.968 -23.078 1.00 0.00 C ATOM 975 C LEU A 62 -9.643 -11.296 -23.468 1.00 0.00 C ATOM 976 O LEU A 62 -8.735 -11.780 -22.792 1.00 0.00 O ATOM 977 CB LEU A 62 -11.380 -10.203 -22.038 1.00 0.00 C ATOM 978 CG LEU A 62 -12.514 -11.139 -22.459 1.00 0.00 C ATOM 979 CD1 LEU A 62 -12.127 -12.590 -22.218 1.00 0.00 C ATOM 980 CD2 LEU A 62 -13.794 -10.795 -21.710 1.00 0.00 C ATOM 0 H LEU A 62 -11.853 -9.249 -24.270 1.00 0.00 H new ATOM 0 HA LEU A 62 -9.515 -9.327 -22.647 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -10.918 -10.607 -21.137 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -11.812 -9.239 -21.770 1.00 0.00 H new ATOM 0 HG LEU A 62 -12.693 -11.005 -23.526 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -12.946 -13.241 -22.524 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -11.237 -12.830 -22.799 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -11.920 -12.740 -21.158 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -14.591 -11.471 -22.022 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -13.628 -10.900 -20.638 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -14.081 -9.768 -21.934 1.00 0.00 H new ATOM 992 N GLU A 63 -10.120 -11.879 -24.563 1.00 0.00 N ATOM 993 CA GLU A 63 -9.592 -13.151 -25.043 1.00 0.00 C ATOM 994 C GLU A 63 -8.216 -12.965 -25.676 1.00 0.00 C ATOM 995 O GLU A 63 -7.365 -13.852 -25.612 1.00 0.00 O ATOM 996 CB GLU A 63 -10.552 -13.777 -26.057 1.00 0.00 C ATOM 997 CG GLU A 63 -9.982 -14.996 -26.762 1.00 0.00 C ATOM 998 CD GLU A 63 -11.055 -15.855 -27.402 1.00 0.00 C ATOM 999 OE1 GLU A 63 -11.777 -16.553 -26.659 1.00 0.00 O ATOM 1000 OE2 GLU A 63 -11.173 -15.830 -28.645 1.00 0.00 O ATOM 0 H GLU A 63 -10.871 -11.491 -25.134 1.00 0.00 H new ATOM 0 HA GLU A 63 -9.492 -13.819 -24.188 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -11.472 -14.060 -25.546 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -10.819 -13.028 -26.803 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -9.277 -14.672 -27.527 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -9.421 -15.596 -26.046 1.00 0.00 H new ATOM 1007 N LYS A 64 -8.005 -11.804 -26.288 1.00 0.00 N ATOM 1008 CA LYS A 64 -6.733 -11.499 -26.932 1.00 0.00 C ATOM 1009 C LYS A 64 -5.760 -10.865 -25.944 1.00 0.00 C ATOM 1010 O LYS A 64 -4.625 -11.318 -25.798 1.00 0.00 O ATOM 1011 CB LYS A 64 -6.953 -10.560 -28.121 1.00 0.00 C ATOM 1012 CG LYS A 64 -7.655 -11.220 -29.295 1.00 0.00 C ATOM 1013 CD LYS A 64 -6.846 -12.383 -29.846 1.00 0.00 C ATOM 1014 CE LYS A 64 -7.214 -12.682 -31.292 1.00 0.00 C ATOM 1015 NZ LYS A 64 -8.634 -13.107 -31.426 1.00 0.00 N ATOM 0 H LYS A 64 -8.699 -11.059 -26.351 1.00 0.00 H new ATOM 0 HA LYS A 64 -6.302 -12.434 -27.289 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -7.540 -9.703 -27.792 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -5.988 -10.177 -28.454 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -8.636 -11.575 -28.981 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -7.819 -10.484 -30.082 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -5.783 -12.152 -29.780 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -7.018 -13.269 -29.235 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -7.041 -11.795 -31.902 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -6.562 -13.466 -31.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -8.822 -13.383 -32.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -8.815 -13.917 -30.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -9.259 -12.319 -31.162 1.00 0.00 H new ATOM 1029 N TYR A 65 -6.213 -9.816 -25.265 1.00 0.00 N ATOM 1030 CA TYR A 65 -5.382 -9.120 -24.290 1.00 0.00 C ATOM 1031 C TYR A 65 -5.709 -9.575 -22.871 1.00 0.00 C ATOM 1032 O TYR A 65 -4.820 -9.939 -22.103 1.00 0.00 O ATOM 1033 CB TYR A 65 -5.576 -7.608 -24.411 1.00 0.00 C ATOM 1034 CG TYR A 65 -6.137 -7.174 -25.746 1.00 0.00 C ATOM 1035 CD1 TYR A 65 -5.447 -7.421 -26.926 1.00 0.00 C ATOM 1036 CD2 TYR A 65 -7.360 -6.518 -25.828 1.00 0.00 C ATOM 1037 CE1 TYR A 65 -5.956 -7.026 -28.148 1.00 0.00 C ATOM 1038 CE2 TYR A 65 -7.877 -6.120 -27.045 1.00 0.00 C ATOM 1039 CZ TYR A 65 -7.171 -6.376 -28.202 1.00 0.00 C ATOM 1040 OH TYR A 65 -7.683 -5.982 -29.418 1.00 0.00 O ATOM 0 H TYR A 65 -7.151 -9.430 -25.372 1.00 0.00 H new ATOM 0 HA TYR A 65 -4.340 -9.364 -24.498 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -6.245 -7.272 -23.619 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -4.618 -7.113 -24.251 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -4.496 -7.931 -26.887 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -7.915 -6.316 -24.924 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -5.406 -7.225 -29.056 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -8.829 -5.611 -27.091 1.00 0.00 H new ATOM 0 HH TYR A 65 -8.546 -5.539 -29.281 1.00 0.00 H new ATOM 1050 N GLY A 66 -6.995 -9.550 -22.531 1.00 0.00 N ATOM 1051 CA GLY A 66 -7.419 -9.962 -21.206 1.00 0.00 C ATOM 1052 C GLY A 66 -6.675 -11.188 -20.714 1.00 0.00 C ATOM 1053 O GLY A 66 -6.385 -11.310 -19.524 1.00 0.00 O ATOM 0 H GLY A 66 -7.749 -9.252 -23.149 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -7.263 -9.141 -20.506 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -8.489 -10.171 -21.219 1.00 0.00 H new ATOM 1057 N ALA A 67 -6.367 -12.099 -21.631 1.00 0.00 N ATOM 1058 CA ALA A 67 -5.652 -13.321 -21.284 1.00 0.00 C ATOM 1059 C ALA A 67 -4.421 -13.015 -20.438 1.00 0.00 C ATOM 1060 O ALA A 67 -4.284 -13.514 -19.321 1.00 0.00 O ATOM 1061 CB ALA A 67 -5.255 -14.076 -22.543 1.00 0.00 C ATOM 0 H ALA A 67 -6.601 -12.014 -22.620 1.00 0.00 H new ATOM 0 HA ALA A 67 -6.320 -13.948 -20.693 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -4.722 -14.986 -22.269 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -6.150 -14.336 -23.109 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.608 -13.448 -23.155 1.00 0.00 H new ATOM 1067 N GLU A 68 -3.526 -12.193 -20.978 1.00 0.00 N ATOM 1068 CA GLU A 68 -2.305 -11.823 -20.272 1.00 0.00 C ATOM 1069 C GLU A 68 -2.629 -11.110 -18.962 1.00 0.00 C ATOM 1070 O GLU A 68 -1.936 -11.285 -17.960 1.00 0.00 O ATOM 1071 CB GLU A 68 -1.433 -10.925 -21.152 1.00 0.00 C ATOM 1072 CG GLU A 68 -1.276 -11.434 -22.575 1.00 0.00 C ATOM 1073 CD GLU A 68 0.022 -10.983 -23.216 1.00 0.00 C ATOM 1074 OE1 GLU A 68 1.014 -10.797 -22.481 1.00 0.00 O ATOM 1075 OE2 GLU A 68 0.044 -10.816 -24.453 1.00 0.00 O ATOM 0 H GLU A 68 -3.624 -11.771 -21.901 1.00 0.00 H new ATOM 0 HA GLU A 68 -1.757 -12.737 -20.042 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -1.867 -9.925 -21.179 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -0.447 -10.833 -20.697 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -1.317 -12.523 -22.574 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -2.115 -11.084 -23.177 1.00 0.00 H new ATOM 1082 N VAL A 69 -3.687 -10.306 -18.978 1.00 0.00 N ATOM 1083 CA VAL A 69 -4.104 -9.567 -17.793 1.00 0.00 C ATOM 1084 C VAL A 69 -4.481 -10.514 -16.659 1.00 0.00 C ATOM 1085 O VAL A 69 -4.015 -10.361 -15.529 1.00 0.00 O ATOM 1086 CB VAL A 69 -5.301 -8.647 -18.097 1.00 0.00 C ATOM 1087 CG1 VAL A 69 -5.578 -7.724 -16.920 1.00 0.00 C ATOM 1088 CG2 VAL A 69 -5.047 -7.846 -19.366 1.00 0.00 C ATOM 0 H VAL A 69 -4.271 -10.150 -19.799 1.00 0.00 H new ATOM 0 HA VAL A 69 -3.255 -8.957 -17.486 1.00 0.00 H new ATOM 0 HB VAL A 69 -6.183 -9.267 -18.256 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -6.427 -7.082 -17.153 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.806 -8.320 -16.036 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -4.700 -7.108 -16.726 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -5.903 -7.201 -19.567 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -4.154 -7.235 -19.238 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -4.903 -8.528 -20.204 1.00 0.00 H new ATOM 1098 N ILE A 70 -5.326 -11.491 -16.968 1.00 0.00 N ATOM 1099 CA ILE A 70 -5.764 -12.464 -15.975 1.00 0.00 C ATOM 1100 C ILE A 70 -4.590 -13.292 -15.461 1.00 0.00 C ATOM 1101 O ILE A 70 -4.480 -13.555 -14.264 1.00 0.00 O ATOM 1102 CB ILE A 70 -6.833 -13.412 -16.549 1.00 0.00 C ATOM 1103 CG1 ILE A 70 -8.057 -12.617 -17.009 1.00 0.00 C ATOM 1104 CG2 ILE A 70 -7.230 -14.452 -15.512 1.00 0.00 C ATOM 1105 CD1 ILE A 70 -9.181 -13.485 -17.528 1.00 0.00 C ATOM 0 H ILE A 70 -5.721 -11.630 -17.898 1.00 0.00 H new ATOM 0 HA ILE A 70 -6.197 -11.899 -15.149 1.00 0.00 H new ATOM 0 HB ILE A 70 -6.413 -13.929 -17.412 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -8.426 -12.019 -16.176 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -7.755 -11.921 -17.792 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -7.986 -15.115 -15.932 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -6.354 -15.035 -15.228 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -7.634 -13.952 -14.632 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -10.015 -12.855 -17.836 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -8.829 -14.064 -18.382 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -9.510 -14.163 -16.741 1.00 0.00 H new ATOM 1117 N SER A 71 -3.714 -13.698 -16.375 1.00 0.00 N ATOM 1118 CA SER A 71 -2.549 -14.497 -16.016 1.00 0.00 C ATOM 1119 C SER A 71 -1.688 -13.770 -14.987 1.00 0.00 C ATOM 1120 O SER A 71 -1.235 -14.364 -14.008 1.00 0.00 O ATOM 1121 CB SER A 71 -1.719 -14.815 -17.260 1.00 0.00 C ATOM 1122 OG SER A 71 -0.951 -13.694 -17.661 1.00 0.00 O ATOM 0 H SER A 71 -3.790 -13.486 -17.370 1.00 0.00 H new ATOM 0 HA SER A 71 -2.901 -15.430 -15.575 1.00 0.00 H new ATOM 0 HB2 SER A 71 -1.059 -15.658 -17.055 1.00 0.00 H new ATOM 0 HB3 SER A 71 -2.378 -15.118 -18.073 1.00 0.00 H new ATOM 0 HG SER A 71 -1.542 -12.925 -17.799 1.00 0.00 H new ATOM 1128 N VAL A 72 -1.465 -12.480 -15.217 1.00 0.00 N ATOM 1129 CA VAL A 72 -0.659 -11.670 -14.312 1.00 0.00 C ATOM 1130 C VAL A 72 -1.369 -11.466 -12.978 1.00 0.00 C ATOM 1131 O VAL A 72 -0.770 -11.624 -11.913 1.00 0.00 O ATOM 1132 CB VAL A 72 -0.338 -10.294 -14.925 1.00 0.00 C ATOM 1133 CG1 VAL A 72 0.553 -9.488 -13.992 1.00 0.00 C ATOM 1134 CG2 VAL A 72 0.316 -10.459 -16.289 1.00 0.00 C ATOM 0 H VAL A 72 -1.832 -11.973 -16.023 1.00 0.00 H new ATOM 0 HA VAL A 72 0.272 -12.212 -14.146 1.00 0.00 H new ATOM 0 HB VAL A 72 -1.272 -9.748 -15.058 1.00 0.00 H new ATOM 0 HG11 VAL A 72 0.769 -8.519 -14.442 1.00 0.00 H new ATOM 0 HG12 VAL A 72 0.043 -9.340 -13.040 1.00 0.00 H new ATOM 0 HG13 VAL A 72 1.486 -10.026 -13.825 1.00 0.00 H new ATOM 0 HG21 VAL A 72 0.536 -9.477 -16.708 1.00 0.00 H new ATOM 0 HG22 VAL A 72 1.242 -11.024 -16.183 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -0.361 -10.994 -16.955 1.00 0.00 H new ATOM 1144 N LEU A 73 -2.649 -11.116 -13.042 1.00 0.00 N ATOM 1145 CA LEU A 73 -3.442 -10.891 -11.839 1.00 0.00 C ATOM 1146 C LEU A 73 -3.507 -12.154 -10.986 1.00 0.00 C ATOM 1147 O LEU A 73 -3.627 -12.082 -9.763 1.00 0.00 O ATOM 1148 CB LEU A 73 -4.855 -10.441 -12.212 1.00 0.00 C ATOM 1149 CG LEU A 73 -4.955 -9.150 -13.026 1.00 0.00 C ATOM 1150 CD1 LEU A 73 -6.177 -9.182 -13.930 1.00 0.00 C ATOM 1151 CD2 LEU A 73 -5.004 -7.940 -12.103 1.00 0.00 C ATOM 0 H LEU A 73 -3.160 -10.982 -13.915 1.00 0.00 H new ATOM 0 HA LEU A 73 -2.959 -10.106 -11.257 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -5.332 -11.241 -12.777 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -5.428 -10.313 -11.294 1.00 0.00 H new ATOM 0 HG LEU A 73 -4.067 -9.069 -13.653 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -6.231 -8.255 -14.501 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -6.101 -10.026 -14.615 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -7.076 -9.287 -13.323 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -5.075 -7.030 -12.699 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -5.874 -8.015 -11.450 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -4.098 -7.907 -11.498 1.00 0.00 H new ATOM 1163 N GLN A 74 -3.425 -13.308 -11.640 1.00 0.00 N ATOM 1164 CA GLN A 74 -3.474 -14.587 -10.941 1.00 0.00 C ATOM 1165 C GLN A 74 -2.082 -15.008 -10.480 1.00 0.00 C ATOM 1166 O GLN A 74 -1.933 -15.696 -9.469 1.00 0.00 O ATOM 1167 CB GLN A 74 -4.072 -15.665 -11.846 1.00 0.00 C ATOM 1168 CG GLN A 74 -5.527 -15.979 -11.538 1.00 0.00 C ATOM 1169 CD GLN A 74 -5.752 -16.334 -10.081 1.00 0.00 C ATOM 1170 OE1 GLN A 74 -4.838 -16.790 -9.393 1.00 0.00 O ATOM 1171 NE2 GLN A 74 -6.973 -16.125 -9.602 1.00 0.00 N ATOM 0 H GLN A 74 -3.324 -13.384 -12.652 1.00 0.00 H new ATOM 0 HA GLN A 74 -4.108 -14.468 -10.062 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -3.990 -15.343 -12.884 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -3.483 -16.577 -11.748 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -6.143 -15.118 -11.798 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -5.856 -16.808 -12.165 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -7.700 -15.745 -10.208 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -7.183 -16.344 -8.628 1.00 0.00 H new ATOM 1180 N LYS A 75 -1.066 -14.592 -11.227 1.00 0.00 N ATOM 1181 CA LYS A 75 0.315 -14.925 -10.896 1.00 0.00 C ATOM 1182 C LYS A 75 0.737 -14.259 -9.590 1.00 0.00 C ATOM 1183 O LYS A 75 1.185 -14.926 -8.658 1.00 0.00 O ATOM 1184 CB LYS A 75 1.251 -14.494 -12.027 1.00 0.00 C ATOM 1185 CG LYS A 75 1.466 -15.566 -13.081 1.00 0.00 C ATOM 1186 CD LYS A 75 2.929 -15.673 -13.477 1.00 0.00 C ATOM 1187 CE LYS A 75 3.084 -16.023 -14.949 1.00 0.00 C ATOM 1188 NZ LYS A 75 4.496 -15.896 -15.404 1.00 0.00 N ATOM 0 H LYS A 75 -1.172 -14.023 -12.067 1.00 0.00 H new ATOM 0 HA LYS A 75 0.382 -16.006 -10.770 1.00 0.00 H new ATOM 0 HB2 LYS A 75 0.843 -13.603 -12.505 1.00 0.00 H new ATOM 0 HB3 LYS A 75 2.215 -14.215 -11.603 1.00 0.00 H new ATOM 0 HG2 LYS A 75 1.120 -16.527 -12.700 1.00 0.00 H new ATOM 0 HG3 LYS A 75 0.866 -15.337 -13.962 1.00 0.00 H new ATOM 0 HD2 LYS A 75 3.433 -14.728 -13.272 1.00 0.00 H new ATOM 0 HD3 LYS A 75 3.417 -16.434 -12.868 1.00 0.00 H new ATOM 0 HE2 LYS A 75 2.738 -17.043 -15.118 1.00 0.00 H new ATOM 0 HE3 LYS A 75 2.450 -15.368 -15.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 4.559 -16.143 -16.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 4.818 -14.917 -15.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 5.098 -16.539 -14.851 1.00 0.00 H new ATOM 1202 N TYR A 76 0.591 -12.940 -9.531 1.00 0.00 N ATOM 1203 CA TYR A 76 0.958 -12.183 -8.340 1.00 0.00 C ATOM 1204 C TYR A 76 0.082 -12.575 -7.154 1.00 0.00 C ATOM 1205 O TYR A 76 0.499 -12.475 -6.000 1.00 0.00 O ATOM 1206 CB TYR A 76 0.835 -10.682 -8.606 1.00 0.00 C ATOM 1207 CG TYR A 76 -0.495 -10.100 -8.184 1.00 0.00 C ATOM 1208 CD1 TYR A 76 -1.571 -10.065 -9.064 1.00 0.00 C ATOM 1209 CD2 TYR A 76 -0.677 -9.583 -6.908 1.00 0.00 C ATOM 1210 CE1 TYR A 76 -2.788 -9.534 -8.684 1.00 0.00 C ATOM 1211 CE2 TYR A 76 -1.891 -9.051 -6.519 1.00 0.00 C ATOM 1212 CZ TYR A 76 -2.943 -9.028 -7.410 1.00 0.00 C ATOM 1213 OH TYR A 76 -4.154 -8.498 -7.027 1.00 0.00 O ATOM 0 H TYR A 76 0.221 -12.373 -10.294 1.00 0.00 H new ATOM 0 HA TYR A 76 1.994 -12.418 -8.096 1.00 0.00 H new ATOM 0 HB2 TYR A 76 1.634 -10.161 -8.078 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.982 -10.497 -9.670 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -1.453 -10.460 -10.062 1.00 0.00 H new ATOM 0 HD2 TYR A 76 0.145 -9.597 -6.208 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -3.613 -9.515 -9.380 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -2.016 -8.655 -5.522 1.00 0.00 H new ATOM 0 HH TYR A 76 -4.668 -8.248 -7.823 1.00 0.00 H new ATOM 1223 N SER A 77 -1.135 -13.021 -7.448 1.00 0.00 N ATOM 1224 CA SER A 77 -2.073 -13.425 -6.407 1.00 0.00 C ATOM 1225 C SER A 77 -1.725 -14.810 -5.870 1.00 0.00 C ATOM 1226 O SER A 77 -2.075 -15.156 -4.742 1.00 0.00 O ATOM 1227 CB SER A 77 -3.503 -13.420 -6.949 1.00 0.00 C ATOM 1228 OG SER A 77 -3.727 -14.526 -7.808 1.00 0.00 O ATOM 0 H SER A 77 -1.495 -13.112 -8.398 1.00 0.00 H new ATOM 0 HA SER A 77 -2.000 -12.708 -5.589 1.00 0.00 H new ATOM 0 HB2 SER A 77 -4.210 -13.451 -6.120 1.00 0.00 H new ATOM 0 HB3 SER A 77 -3.687 -12.492 -7.490 1.00 0.00 H new ATOM 0 HG SER A 77 -2.873 -14.826 -8.184 1.00 0.00 H new