USER MOD reduce.3.24.130724 H: found=0, std=0, add=573, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 573 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 Single : A 1 MET CE :methyl 157:sc= -0.144 (180deg=-0.653) USER MOD Single : A 1 MET N :NH3+ 161:sc= -0.396 (180deg=-0.89) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= 0.685 K(o=0.69,f=-0.64) USER MOD Single : A 13 GLN : amide:sc= -5.64! C(o=-5.6!,f=-9!) USER MOD Single : A 17 ASN : amide:sc= -0.15 X(o=-0.15,f=-0.55) USER MOD Single : A 18 HIS : no HE2:sc= 1.08 K(o=1.1,f=-5.9!) USER MOD Single : A 21 GLN : amide:sc= -1.06 X(o=-1.1,f=-0.81) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0.0343 USER MOD Single : A 28 TYR OH : rot 15:sc= 0.456 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN :FLIP amide:sc= 0 F(o=-0.85,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 158:sc= -0.0778 (180deg=-0.587) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ -157:sc= 0.356 (180deg=-0.654!) USER MOD Single : A 47 CYS SG : rot -48:sc= -3.16! USER MOD Single : A 50 TYR OH : rot 123:sc= 0.238 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0.00714 USER MOD Single : A 65 GLN :FLIP amide:sc= -0.942 F(o=-2.1,f=-0.94) USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.526 -11.016 -20.011 1.00 0.00 N ATOM 2 CA MET A 1 9.542 -9.972 -19.638 1.00 0.00 C ATOM 3 C MET A 1 8.436 -10.523 -18.753 1.00 0.00 C ATOM 4 O MET A 1 7.355 -9.943 -18.633 1.00 0.00 O ATOM 5 CB MET A 1 8.968 -9.315 -20.919 1.00 0.00 C ATOM 6 CG MET A 1 8.519 -10.302 -21.990 1.00 0.00 C ATOM 7 SD MET A 1 6.927 -11.070 -21.640 1.00 0.00 S ATOM 8 CE MET A 1 5.822 -9.671 -21.727 1.00 0.00 C ATOM 0 H1 MET A 1 11.063 -10.705 -20.845 1.00 0.00 H new ATOM 0 H2 MET A 1 11.180 -11.176 -19.218 1.00 0.00 H new ATOM 0 H3 MET A 1 10.026 -11.901 -20.231 1.00 0.00 H new ATOM 0 HA MET A 1 10.056 -9.211 -19.051 1.00 0.00 H new ATOM 0 HB2 MET A 1 8.120 -8.689 -20.642 1.00 0.00 H new ATOM 0 HB3 MET A 1 9.725 -8.656 -21.345 1.00 0.00 H new ATOM 0 HG2 MET A 1 8.461 -9.785 -22.948 1.00 0.00 H new ATOM 0 HG3 MET A 1 9.274 -11.081 -22.094 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.811 -10.019 -21.940 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.831 -9.141 -20.775 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.149 -8.998 -22.520 1.00 0.00 H new ATOM 20 N THR A 2 8.731 -11.624 -18.081 1.00 0.00 N ATOM 21 CA THR A 2 7.757 -12.290 -17.235 1.00 0.00 C ATOM 22 C THR A 2 7.560 -11.488 -15.943 1.00 0.00 C ATOM 23 O THR A 2 8.491 -10.851 -15.450 1.00 0.00 O ATOM 24 CB THR A 2 8.140 -13.750 -16.930 1.00 0.00 C ATOM 25 OG1 THR A 2 7.034 -14.442 -16.316 1.00 0.00 O ATOM 26 CG2 THR A 2 9.355 -13.824 -16.016 1.00 0.00 C ATOM 0 H THR A 2 9.644 -12.077 -18.106 1.00 0.00 H new ATOM 0 HA THR A 2 6.814 -12.330 -17.781 1.00 0.00 H new ATOM 0 HB THR A 2 8.389 -14.230 -17.877 1.00 0.00 H new ATOM 0 HG1 THR A 2 7.291 -15.369 -16.129 1.00 0.00 H new ATOM 0 HG21 THR A 2 9.600 -14.868 -15.820 1.00 0.00 H new ATOM 0 HG22 THR A 2 10.203 -13.337 -16.498 1.00 0.00 H new ATOM 0 HG23 THR A 2 9.134 -13.320 -15.075 1.00 0.00 H new ATOM 34 N SER A 3 6.345 -11.527 -15.407 1.00 0.00 N ATOM 35 CA SER A 3 5.996 -10.749 -14.228 1.00 0.00 C ATOM 36 C SER A 3 6.862 -11.133 -13.026 1.00 0.00 C ATOM 37 O SER A 3 6.929 -12.291 -12.631 1.00 0.00 O ATOM 38 CB SER A 3 4.519 -10.943 -13.904 1.00 0.00 C ATOM 39 OG SER A 3 3.717 -10.770 -15.064 1.00 0.00 O ATOM 0 H SER A 3 5.581 -12.094 -15.775 1.00 0.00 H new ATOM 0 HA SER A 3 6.184 -9.697 -14.444 1.00 0.00 H new ATOM 0 HB2 SER A 3 4.361 -11.940 -13.493 1.00 0.00 H new ATOM 0 HB3 SER A 3 4.214 -10.231 -13.137 1.00 0.00 H new ATOM 0 HG SER A 3 2.774 -10.901 -14.832 1.00 0.00 H new ATOM 45 N VAL A 4 7.520 -10.134 -12.473 1.00 0.00 N ATOM 46 CA VAL A 4 8.329 -10.327 -11.281 1.00 0.00 C ATOM 47 C VAL A 4 7.412 -10.505 -10.081 1.00 0.00 C ATOM 48 O VAL A 4 7.646 -11.360 -9.219 1.00 0.00 O ATOM 49 CB VAL A 4 9.246 -9.118 -11.024 1.00 0.00 C ATOM 50 CG1 VAL A 4 10.176 -9.379 -9.845 1.00 0.00 C ATOM 51 CG2 VAL A 4 10.053 -8.784 -12.262 1.00 0.00 C ATOM 0 H VAL A 4 7.512 -9.178 -12.829 1.00 0.00 H new ATOM 0 HA VAL A 4 8.950 -11.210 -11.431 1.00 0.00 H new ATOM 0 HB VAL A 4 8.612 -8.265 -10.780 1.00 0.00 H new ATOM 0 HG11 VAL A 4 10.813 -8.509 -9.685 1.00 0.00 H new ATOM 0 HG12 VAL A 4 9.584 -9.565 -8.949 1.00 0.00 H new ATOM 0 HG13 VAL A 4 10.797 -10.249 -10.057 1.00 0.00 H new ATOM 0 HG21 VAL A 4 10.694 -7.926 -12.058 1.00 0.00 H new ATOM 0 HG22 VAL A 4 10.669 -9.640 -12.537 1.00 0.00 H new ATOM 0 HG23 VAL A 4 9.377 -8.545 -13.083 1.00 0.00 H new ATOM 61 N PHE A 5 6.365 -9.691 -10.044 1.00 0.00 N ATOM 62 CA PHE A 5 5.345 -9.790 -9.010 1.00 0.00 C ATOM 63 C PHE A 5 3.964 -9.854 -9.663 1.00 0.00 C ATOM 64 O PHE A 5 3.300 -8.837 -9.831 1.00 0.00 O ATOM 65 CB PHE A 5 5.448 -8.585 -8.059 1.00 0.00 C ATOM 66 CG PHE A 5 4.729 -8.752 -6.758 1.00 0.00 C ATOM 67 CD1 PHE A 5 5.193 -9.641 -5.819 1.00 0.00 C ATOM 68 CD2 PHE A 5 3.603 -8.007 -6.471 1.00 0.00 C ATOM 69 CE1 PHE A 5 4.548 -9.805 -4.604 1.00 0.00 C ATOM 70 CE2 PHE A 5 2.945 -8.148 -5.262 1.00 0.00 C ATOM 71 CZ PHE A 5 3.423 -9.055 -4.332 1.00 0.00 C ATOM 0 H PHE A 5 6.200 -8.949 -10.724 1.00 0.00 H new ATOM 0 HA PHE A 5 5.497 -10.698 -8.427 1.00 0.00 H new ATOM 0 HB2 PHE A 5 6.501 -8.390 -7.854 1.00 0.00 H new ATOM 0 HB3 PHE A 5 5.053 -7.704 -8.566 1.00 0.00 H new ATOM 0 HD1 PHE A 5 6.077 -10.223 -6.032 1.00 0.00 H new ATOM 0 HD2 PHE A 5 3.230 -7.304 -7.201 1.00 0.00 H new ATOM 0 HE1 PHE A 5 4.922 -10.512 -3.878 1.00 0.00 H new ATOM 0 HE2 PHE A 5 2.068 -7.557 -5.046 1.00 0.00 H new ATOM 0 HZ PHE A 5 2.912 -9.176 -3.388 1.00 0.00 H new ATOM 81 N ASP A 6 3.572 -11.061 -10.040 1.00 0.00 N ATOM 82 CA ASP A 6 2.327 -11.267 -10.777 1.00 0.00 C ATOM 83 C ASP A 6 1.110 -11.071 -9.873 1.00 0.00 C ATOM 84 O ASP A 6 1.132 -11.434 -8.693 1.00 0.00 O ATOM 85 CB ASP A 6 2.301 -12.664 -11.410 1.00 0.00 C ATOM 86 CG ASP A 6 0.994 -12.958 -12.137 1.00 0.00 C ATOM 87 OD1 ASP A 6 0.780 -12.410 -13.237 1.00 0.00 O ATOM 88 OD2 ASP A 6 0.182 -13.755 -11.612 1.00 0.00 O ATOM 0 H ASP A 6 4.096 -11.915 -9.850 1.00 0.00 H new ATOM 0 HA ASP A 6 2.282 -10.521 -11.571 1.00 0.00 H new ATOM 0 HB2 ASP A 6 3.130 -12.756 -12.111 1.00 0.00 H new ATOM 0 HB3 ASP A 6 2.456 -13.413 -10.633 1.00 0.00 H new ATOM 93 N ARG A 7 0.057 -10.469 -10.445 1.00 0.00 N ATOM 94 CA ARG A 7 -1.231 -10.270 -9.762 1.00 0.00 C ATOM 95 C ARG A 7 -1.189 -9.122 -8.773 1.00 0.00 C ATOM 96 O ARG A 7 -2.097 -8.309 -8.759 1.00 0.00 O ATOM 97 CB ARG A 7 -1.695 -11.549 -9.035 1.00 0.00 C ATOM 98 CG ARG A 7 -3.043 -11.403 -8.372 1.00 0.00 C ATOM 99 CD ARG A 7 -3.406 -12.625 -7.538 1.00 0.00 C ATOM 100 NE ARG A 7 -4.661 -12.402 -6.827 1.00 0.00 N ATOM 101 CZ ARG A 7 -5.053 -13.092 -5.758 1.00 0.00 C ATOM 102 NH1 ARG A 7 -4.281 -14.051 -5.257 1.00 0.00 N ATOM 103 NH2 ARG A 7 -6.217 -12.810 -5.180 1.00 0.00 N ATOM 0 H ARG A 7 0.074 -10.105 -11.398 1.00 0.00 H new ATOM 0 HA ARG A 7 -1.947 -10.024 -10.546 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -1.737 -12.370 -9.750 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -0.955 -11.819 -8.282 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -3.040 -10.518 -7.736 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -3.806 -11.245 -9.134 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -3.496 -13.499 -8.183 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -2.609 -12.836 -6.825 1.00 0.00 H new ATOM 0 HE ARG A 7 -5.279 -11.668 -7.172 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -3.383 -14.262 -5.692 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -4.587 -14.576 -4.438 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -6.806 -12.067 -5.556 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -6.520 -13.337 -4.361 1.00 0.00 H new ATOM 117 N ASP A 8 -0.124 -9.061 -7.968 1.00 0.00 N ATOM 118 CA ASP A 8 -0.069 -8.138 -6.839 1.00 0.00 C ATOM 119 C ASP A 8 -1.186 -8.489 -5.861 1.00 0.00 C ATOM 120 O ASP A 8 -1.555 -9.671 -5.750 1.00 0.00 O ATOM 121 CB ASP A 8 -0.165 -6.679 -7.338 1.00 0.00 C ATOM 122 CG ASP A 8 0.226 -5.619 -6.303 1.00 0.00 C ATOM 123 OD1 ASP A 8 1.422 -5.266 -6.231 1.00 0.00 O ATOM 124 OD2 ASP A 8 -0.657 -5.140 -5.575 1.00 0.00 O ATOM 0 H ASP A 8 0.708 -9.640 -8.080 1.00 0.00 H new ATOM 0 HA ASP A 8 0.884 -8.232 -6.317 1.00 0.00 H new ATOM 0 HB2 ASP A 8 0.475 -6.566 -8.213 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -1.187 -6.488 -7.665 1.00 0.00 H new ATOM 129 N ASP A 9 -1.717 -7.504 -5.164 1.00 0.00 N ATOM 130 CA ASP A 9 -2.886 -7.716 -4.314 1.00 0.00 C ATOM 131 C ASP A 9 -3.593 -6.390 -4.159 1.00 0.00 C ATOM 132 O ASP A 9 -4.740 -6.198 -4.592 1.00 0.00 O ATOM 133 CB ASP A 9 -2.494 -8.271 -2.944 1.00 0.00 C ATOM 134 CG ASP A 9 -3.701 -8.599 -2.079 1.00 0.00 C ATOM 135 OD1 ASP A 9 -4.273 -9.693 -2.244 1.00 0.00 O ATOM 136 OD2 ASP A 9 -4.084 -7.766 -1.235 1.00 0.00 O ATOM 0 H ASP A 9 -1.363 -6.548 -5.165 1.00 0.00 H new ATOM 0 HA ASP A 9 -3.542 -8.452 -4.779 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -1.893 -9.170 -3.079 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -1.868 -7.544 -2.427 1.00 0.00 H new ATOM 141 N ILE A 10 -2.897 -5.464 -3.519 1.00 0.00 N ATOM 142 CA ILE A 10 -3.335 -4.095 -3.375 1.00 0.00 C ATOM 143 C ILE A 10 -2.298 -3.319 -2.589 1.00 0.00 C ATOM 144 O ILE A 10 -1.804 -3.770 -1.561 1.00 0.00 O ATOM 145 CB ILE A 10 -4.721 -3.981 -2.692 1.00 0.00 C ATOM 146 CG1 ILE A 10 -5.177 -2.525 -2.661 1.00 0.00 C ATOM 147 CG2 ILE A 10 -4.681 -4.570 -1.288 1.00 0.00 C ATOM 148 CD1 ILE A 10 -6.613 -2.359 -2.231 1.00 0.00 C ATOM 0 H ILE A 10 -1.996 -5.652 -3.079 1.00 0.00 H new ATOM 0 HA ILE A 10 -3.443 -3.674 -4.375 1.00 0.00 H new ATOM 0 HB ILE A 10 -5.443 -4.554 -3.274 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -4.534 -1.965 -1.982 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -5.049 -2.090 -3.652 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -5.665 -4.479 -0.827 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -4.402 -5.622 -1.343 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -3.948 -4.031 -0.688 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -6.873 -1.300 -2.231 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -7.264 -2.892 -2.924 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -6.741 -2.764 -1.227 1.00 0.00 H new ATOM 160 N GLN A 11 -1.931 -2.161 -3.105 1.00 0.00 N ATOM 161 CA GLN A 11 -0.912 -1.357 -2.486 1.00 0.00 C ATOM 162 C GLN A 11 -1.536 -0.186 -1.742 1.00 0.00 C ATOM 163 O GLN A 11 -2.551 0.370 -2.183 1.00 0.00 O ATOM 164 CB GLN A 11 0.095 -0.885 -3.535 1.00 0.00 C ATOM 165 CG GLN A 11 0.902 -2.023 -4.129 1.00 0.00 C ATOM 166 CD GLN A 11 1.901 -1.559 -5.170 1.00 0.00 C ATOM 167 OE1 GLN A 11 2.391 -0.443 -5.117 1.00 0.00 O ATOM 168 NE2 GLN A 11 2.246 -2.442 -6.102 1.00 0.00 N ATOM 0 H GLN A 11 -2.329 -1.761 -3.955 1.00 0.00 H new ATOM 0 HA GLN A 11 -0.376 -1.962 -1.755 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -0.435 -0.366 -4.334 1.00 0.00 H new ATOM 0 HB3 GLN A 11 0.774 -0.163 -3.081 1.00 0.00 H new ATOM 0 HG2 GLN A 11 1.432 -2.541 -3.330 1.00 0.00 H new ATOM 0 HG3 GLN A 11 0.223 -2.745 -4.582 1.00 0.00 H new ATOM 0 HE21 GLN A 11 1.814 -3.366 -6.114 1.00 0.00 H new ATOM 0 HE22 GLN A 11 2.943 -2.196 -6.805 1.00 0.00 H new ATOM 177 N PHE A 12 -0.935 0.175 -0.619 1.00 0.00 N ATOM 178 CA PHE A 12 -1.535 1.149 0.255 1.00 0.00 C ATOM 179 C PHE A 12 -0.550 2.244 0.624 1.00 0.00 C ATOM 180 O PHE A 12 0.612 2.254 0.223 1.00 0.00 O ATOM 181 CB PHE A 12 -2.025 0.493 1.541 1.00 0.00 C ATOM 182 CG PHE A 12 -3.320 -0.247 1.411 1.00 0.00 C ATOM 183 CD1 PHE A 12 -4.529 0.433 1.416 1.00 0.00 C ATOM 184 CD2 PHE A 12 -3.343 -1.628 1.299 1.00 0.00 C ATOM 185 CE1 PHE A 12 -5.719 -0.249 1.309 1.00 0.00 C ATOM 186 CE2 PHE A 12 -4.532 -2.318 1.190 1.00 0.00 C ATOM 187 CZ PHE A 12 -5.723 -1.627 1.187 1.00 0.00 C ATOM 0 H PHE A 12 -0.039 -0.193 -0.300 1.00 0.00 H new ATOM 0 HA PHE A 12 -2.375 1.584 -0.286 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -1.260 -0.199 1.894 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -2.137 1.262 2.306 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -4.536 1.509 1.505 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -2.412 -2.175 1.297 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -6.653 0.293 1.320 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -4.529 -3.395 1.107 1.00 0.00 H new ATOM 0 HZ PHE A 12 -6.658 -2.159 1.090 1.00 0.00 H new ATOM 197 N GLN A 13 -1.065 3.170 1.425 1.00 0.00 N ATOM 198 CA GLN A 13 -0.316 4.296 1.957 1.00 0.00 C ATOM 199 C GLN A 13 -0.999 4.765 3.219 1.00 0.00 C ATOM 200 O GLN A 13 -2.170 4.444 3.462 1.00 0.00 O ATOM 201 CB GLN A 13 -0.250 5.422 0.919 1.00 0.00 C ATOM 202 CG GLN A 13 -1.609 5.833 0.359 1.00 0.00 C ATOM 203 CD GLN A 13 -1.489 6.855 -0.755 1.00 0.00 C ATOM 204 OE1 GLN A 13 -1.348 6.497 -1.923 1.00 0.00 O ATOM 205 NE2 GLN A 13 -1.539 8.125 -0.397 1.00 0.00 N ATOM 0 H GLN A 13 -2.039 3.156 1.728 1.00 0.00 H new ATOM 0 HA GLN A 13 0.707 3.997 2.186 1.00 0.00 H new ATOM 0 HB2 GLN A 13 0.222 6.293 1.373 1.00 0.00 H new ATOM 0 HB3 GLN A 13 0.390 5.105 0.095 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -2.127 4.950 -0.016 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -2.221 6.245 1.162 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -1.657 8.374 0.585 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -1.459 8.857 -1.103 1.00 0.00 H new ATOM 214 N VAL A 14 -0.289 5.533 4.019 1.00 0.00 N ATOM 215 CA VAL A 14 -0.811 5.969 5.316 1.00 0.00 C ATOM 216 C VAL A 14 -1.387 7.373 5.206 1.00 0.00 C ATOM 217 O VAL A 14 -0.742 8.278 4.665 1.00 0.00 O ATOM 218 CB VAL A 14 0.280 5.968 6.396 1.00 0.00 C ATOM 219 CG1 VAL A 14 -0.326 6.198 7.773 1.00 0.00 C ATOM 220 CG2 VAL A 14 1.051 4.640 6.371 1.00 0.00 C ATOM 0 H VAL A 14 0.649 5.872 3.803 1.00 0.00 H new ATOM 0 HA VAL A 14 -1.590 5.263 5.604 1.00 0.00 H new ATOM 0 HB VAL A 14 0.973 6.782 6.185 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.464 6.194 8.524 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.837 7.161 7.790 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -1.040 5.405 7.993 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.822 4.652 7.142 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.363 3.816 6.559 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.517 4.508 5.394 1.00 0.00 H new ATOM 230 N VAL A 15 -2.600 7.558 5.689 1.00 0.00 N ATOM 231 CA VAL A 15 -3.222 8.875 5.695 1.00 0.00 C ATOM 232 C VAL A 15 -3.573 9.289 7.122 1.00 0.00 C ATOM 233 O VAL A 15 -3.876 8.461 7.965 1.00 0.00 O ATOM 234 CB VAL A 15 -4.494 8.909 4.823 1.00 0.00 C ATOM 235 CG1 VAL A 15 -4.142 8.810 3.357 1.00 0.00 C ATOM 236 CG2 VAL A 15 -5.467 7.808 5.222 1.00 0.00 C ATOM 0 H VAL A 15 -3.177 6.815 6.083 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.501 9.577 5.275 1.00 0.00 H new ATOM 0 HB VAL A 15 -4.988 9.866 4.992 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -5.054 8.836 2.761 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -3.503 9.648 3.079 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -3.614 7.874 3.172 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -6.353 7.859 4.589 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -4.988 6.837 5.099 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -5.758 7.939 6.264 1.00 0.00 H new ATOM 246 N VAL A 16 -3.512 10.584 7.359 1.00 0.00 N ATOM 247 CA VAL A 16 -3.801 11.139 8.683 1.00 0.00 C ATOM 248 C VAL A 16 -4.818 12.271 8.550 1.00 0.00 C ATOM 249 O VAL A 16 -4.775 13.025 7.587 1.00 0.00 O ATOM 250 CB VAL A 16 -2.512 11.642 9.379 1.00 0.00 C ATOM 251 CG1 VAL A 16 -1.850 12.763 8.580 1.00 0.00 C ATOM 252 CG2 VAL A 16 -2.809 12.110 10.813 1.00 0.00 C ATOM 0 H VAL A 16 -3.265 11.280 6.656 1.00 0.00 H new ATOM 0 HA VAL A 16 -4.220 10.349 9.306 1.00 0.00 H new ATOM 0 HB VAL A 16 -1.817 10.804 9.426 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.948 13.094 9.095 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -1.587 12.396 7.588 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -2.542 13.600 8.486 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.888 12.458 11.280 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.533 12.924 10.787 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -3.217 11.280 11.390 1.00 0.00 H new ATOM 262 N ASN A 17 -5.746 12.344 9.480 1.00 0.00 N ATOM 263 CA ASN A 17 -6.774 13.388 9.443 1.00 0.00 C ATOM 264 C ASN A 17 -6.871 14.143 10.764 1.00 0.00 C ATOM 265 O ASN A 17 -7.646 13.754 11.627 1.00 0.00 O ATOM 266 CB ASN A 17 -8.131 12.759 9.085 1.00 0.00 C ATOM 267 CG ASN A 17 -9.295 13.719 9.278 1.00 0.00 C ATOM 268 OD1 ASN A 17 -9.178 14.931 9.046 1.00 0.00 O ATOM 269 ND2 ASN A 17 -10.422 13.196 9.739 1.00 0.00 N ATOM 0 H ASN A 17 -5.819 11.703 10.270 1.00 0.00 H new ATOM 0 HA ASN A 17 -6.491 14.113 8.680 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -8.109 12.425 8.048 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -8.290 11.874 9.701 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -11.228 13.796 9.914 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -10.483 12.194 9.919 1.00 0.00 H new ATOM 276 N HIS A 18 -6.035 15.186 10.928 1.00 0.00 N ATOM 277 CA HIS A 18 -6.223 16.251 11.921 1.00 0.00 C ATOM 278 C HIS A 18 -6.050 15.800 13.393 1.00 0.00 C ATOM 279 O HIS A 18 -5.348 16.436 14.164 1.00 0.00 O ATOM 280 CB HIS A 18 -7.583 16.899 11.723 1.00 0.00 C ATOM 281 CG HIS A 18 -7.672 18.287 12.302 1.00 0.00 C ATOM 282 ND1 HIS A 18 -8.242 18.573 13.533 1.00 0.00 N ATOM 283 CD2 HIS A 18 -7.275 19.480 11.801 1.00 0.00 C ATOM 284 CE1 HIS A 18 -8.184 19.882 13.741 1.00 0.00 C ATOM 285 NE2 HIS A 18 -7.599 20.444 12.698 1.00 0.00 N ATOM 0 H HIS A 18 -5.196 15.311 10.362 1.00 0.00 H new ATOM 0 HA HIS A 18 -5.423 16.971 11.746 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -7.805 16.943 10.657 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -8.347 16.272 12.182 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -8.641 17.888 14.175 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -6.785 19.637 10.851 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -8.552 20.400 14.614 1.00 0.00 H new ATOM 294 N GLU A 19 -6.674 14.691 13.733 1.00 0.00 N ATOM 295 CA GLU A 19 -6.661 14.182 15.118 1.00 0.00 C ATOM 296 C GLU A 19 -5.533 13.195 15.320 1.00 0.00 C ATOM 297 O GLU A 19 -5.456 12.546 16.349 1.00 0.00 O ATOM 298 CB GLU A 19 -7.987 13.506 15.457 1.00 0.00 C ATOM 299 CG GLU A 19 -9.089 14.460 15.860 1.00 0.00 C ATOM 300 CD GLU A 19 -9.482 15.422 14.766 1.00 0.00 C ATOM 301 OE1 GLU A 19 -10.015 14.972 13.735 1.00 0.00 O ATOM 302 OE2 GLU A 19 -9.262 16.640 14.934 1.00 0.00 O ATOM 0 H GLU A 19 -7.202 14.113 13.079 1.00 0.00 H new ATOM 0 HA GLU A 19 -6.511 15.035 15.780 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -8.319 12.931 14.593 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -7.822 12.797 16.268 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -9.965 13.885 16.159 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -8.767 15.027 16.733 1.00 0.00 H new ATOM 309 N GLU A 20 -4.692 13.070 14.296 1.00 0.00 N ATOM 310 CA GLU A 20 -3.594 12.097 14.264 1.00 0.00 C ATOM 311 C GLU A 20 -4.217 10.702 14.037 1.00 0.00 C ATOM 312 O GLU A 20 -3.619 9.679 14.354 1.00 0.00 O ATOM 313 CB GLU A 20 -2.748 12.164 15.528 1.00 0.00 C ATOM 314 CG GLU A 20 -1.497 11.286 15.476 1.00 0.00 C ATOM 315 CD GLU A 20 -0.683 11.353 16.743 1.00 0.00 C ATOM 316 OE1 GLU A 20 -1.010 10.661 17.735 1.00 0.00 O ATOM 317 OE2 GLU A 20 0.319 12.100 16.749 1.00 0.00 O ATOM 0 H GLU A 20 -4.751 13.645 13.456 1.00 0.00 H new ATOM 0 HA GLU A 20 -2.906 12.323 13.450 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -2.449 13.198 15.700 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -3.358 11.862 16.380 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -1.791 10.253 15.293 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -0.877 11.595 14.634 1.00 0.00 H new ATOM 324 N GLN A 21 -5.409 10.700 13.485 1.00 0.00 N ATOM 325 CA GLN A 21 -6.062 9.488 13.062 1.00 0.00 C ATOM 326 C GLN A 21 -5.380 8.960 11.809 1.00 0.00 C ATOM 327 O GLN A 21 -5.571 9.503 10.714 1.00 0.00 O ATOM 328 CB GLN A 21 -7.528 9.735 12.779 1.00 0.00 C ATOM 329 CG GLN A 21 -8.310 10.271 13.960 1.00 0.00 C ATOM 330 CD GLN A 21 -9.774 10.495 13.650 1.00 0.00 C ATOM 331 OE1 GLN A 21 -10.410 11.399 14.189 1.00 0.00 O ATOM 332 NE2 GLN A 21 -10.335 9.643 12.789 1.00 0.00 N ATOM 0 H GLN A 21 -5.954 11.546 13.317 1.00 0.00 H new ATOM 0 HA GLN A 21 -5.987 8.753 13.863 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -7.612 10.440 11.952 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -7.985 8.802 12.450 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -8.224 9.573 14.792 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -7.866 11.212 14.286 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -9.774 8.906 12.362 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -11.325 9.729 12.558 1.00 0.00 H new ATOM 341 N TYR A 22 -4.567 7.933 11.974 1.00 0.00 N ATOM 342 CA TYR A 22 -3.859 7.330 10.844 1.00 0.00 C ATOM 343 C TYR A 22 -4.587 6.095 10.351 1.00 0.00 C ATOM 344 O TYR A 22 -5.034 5.252 11.151 1.00 0.00 O ATOM 345 CB TYR A 22 -2.388 7.021 11.195 1.00 0.00 C ATOM 346 CG TYR A 22 -2.175 6.362 12.538 1.00 0.00 C ATOM 347 CD1 TYR A 22 -1.988 7.116 13.696 1.00 0.00 C ATOM 348 CD2 TYR A 22 -2.137 4.979 12.662 1.00 0.00 C ATOM 349 CE1 TYR A 22 -1.771 6.518 14.920 1.00 0.00 C ATOM 350 CE2 TYR A 22 -1.935 4.363 13.887 1.00 0.00 C ATOM 351 CZ TYR A 22 -1.752 5.142 15.014 1.00 0.00 C ATOM 352 OH TYR A 22 -1.525 4.537 16.227 1.00 0.00 O ATOM 0 H TYR A 22 -4.376 7.495 12.875 1.00 0.00 H new ATOM 0 HA TYR A 22 -3.846 8.056 10.031 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -1.974 6.375 10.421 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -1.821 7.952 11.170 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -2.014 8.194 13.633 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -2.268 4.368 11.781 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -1.617 7.124 15.800 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -1.921 3.286 13.960 1.00 0.00 H new ATOM 0 HH TYR A 22 -1.546 3.564 16.116 1.00 0.00 H new ATOM 362 N SER A 23 -4.726 5.992 9.038 1.00 0.00 N ATOM 363 CA SER A 23 -5.429 4.879 8.412 1.00 0.00 C ATOM 364 C SER A 23 -4.736 4.514 7.100 1.00 0.00 C ATOM 365 O SER A 23 -3.737 5.140 6.723 1.00 0.00 O ATOM 366 CB SER A 23 -6.895 5.254 8.168 1.00 0.00 C ATOM 367 OG SER A 23 -7.654 4.133 7.732 1.00 0.00 O ATOM 0 H SER A 23 -4.356 6.675 8.377 1.00 0.00 H new ATOM 0 HA SER A 23 -5.406 4.013 9.074 1.00 0.00 H new ATOM 0 HB2 SER A 23 -7.327 5.653 9.086 1.00 0.00 H new ATOM 0 HB3 SER A 23 -6.950 6.045 7.420 1.00 0.00 H new ATOM 0 HG SER A 23 -8.584 4.404 7.587 1.00 0.00 H new ATOM 373 N ILE A 24 -5.246 3.515 6.420 1.00 0.00 N ATOM 374 CA ILE A 24 -4.653 3.042 5.184 1.00 0.00 C ATOM 375 C ILE A 24 -5.533 3.396 3.990 1.00 0.00 C ATOM 376 O ILE A 24 -6.764 3.244 4.040 1.00 0.00 O ATOM 377 CB ILE A 24 -4.421 1.508 5.221 1.00 0.00 C ATOM 378 CG1 ILE A 24 -5.751 0.758 5.365 1.00 0.00 C ATOM 379 CG2 ILE A 24 -3.466 1.143 6.363 1.00 0.00 C ATOM 380 CD1 ILE A 24 -5.598 -0.748 5.308 1.00 0.00 C ATOM 0 H ILE A 24 -6.083 3.005 6.704 1.00 0.00 H new ATOM 0 HA ILE A 24 -3.688 3.538 5.077 1.00 0.00 H new ATOM 0 HB ILE A 24 -3.966 1.206 4.278 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -6.215 1.034 6.312 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -6.428 1.078 4.573 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -3.312 0.064 6.378 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -2.510 1.644 6.212 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.896 1.461 7.313 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -6.576 -1.217 5.416 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -5.162 -1.033 4.351 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -4.946 -1.078 6.116 1.00 0.00 H new ATOM 392 N TRP A 25 -4.925 3.909 2.943 1.00 0.00 N ATOM 393 CA TRP A 25 -5.651 4.245 1.716 1.00 0.00 C ATOM 394 C TRP A 25 -4.937 3.644 0.514 1.00 0.00 C ATOM 395 O TRP A 25 -3.698 3.662 0.469 1.00 0.00 O ATOM 396 CB TRP A 25 -5.759 5.768 1.599 1.00 0.00 C ATOM 397 CG TRP A 25 -6.676 6.224 0.494 1.00 0.00 C ATOM 398 CD1 TRP A 25 -6.320 6.714 -0.731 1.00 0.00 C ATOM 399 CD2 TRP A 25 -8.110 6.211 0.520 1.00 0.00 C ATOM 400 NE1 TRP A 25 -7.438 7.014 -1.469 1.00 0.00 N ATOM 401 CE2 TRP A 25 -8.548 6.724 -0.726 1.00 0.00 C ATOM 402 CE3 TRP A 25 -9.073 5.828 1.466 1.00 0.00 C ATOM 403 CZ2 TRP A 25 -9.900 6.850 -1.045 1.00 0.00 C ATOM 404 CZ3 TRP A 25 -10.416 5.966 1.151 1.00 0.00 C ATOM 405 CH2 TRP A 25 -10.816 6.467 -0.088 1.00 0.00 C ATOM 0 H TRP A 25 -3.925 4.107 2.907 1.00 0.00 H new ATOM 0 HA TRP A 25 -6.658 3.828 1.748 1.00 0.00 H new ATOM 0 HB2 TRP A 25 -6.116 6.172 2.546 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -4.765 6.183 1.430 1.00 0.00 H new ATOM 0 HD1 TRP A 25 -5.303 6.846 -1.070 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -7.440 7.391 -2.417 1.00 0.00 H new ATOM 0 HE3 TRP A 25 -8.773 5.432 2.425 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 -10.217 7.233 -2.004 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 -11.164 5.681 1.876 1.00 0.00 H new ATOM 0 HH2 TRP A 25 -11.870 6.557 -0.303 1.00 0.00 H new ATOM 416 N PRO A 26 -5.690 3.084 -0.448 1.00 0.00 N ATOM 417 CA PRO A 26 -5.109 2.504 -1.667 1.00 0.00 C ATOM 418 C PRO A 26 -4.205 3.494 -2.394 1.00 0.00 C ATOM 419 O PRO A 26 -4.569 4.650 -2.612 1.00 0.00 O ATOM 420 CB PRO A 26 -6.337 2.148 -2.513 1.00 0.00 C ATOM 421 CG PRO A 26 -7.427 1.966 -1.526 1.00 0.00 C ATOM 422 CD PRO A 26 -7.147 2.939 -0.413 1.00 0.00 C ATOM 0 HA PRO A 26 -4.471 1.646 -1.456 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -6.573 2.940 -3.223 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -6.170 1.240 -3.092 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -8.399 2.160 -1.979 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -7.448 0.942 -1.153 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -7.650 3.892 -0.577 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -7.490 2.559 0.549 1.00 0.00 H new ATOM 430 N GLU A 27 -3.031 3.015 -2.798 1.00 0.00 N ATOM 431 CA GLU A 27 -1.982 3.863 -3.356 1.00 0.00 C ATOM 432 C GLU A 27 -2.418 4.502 -4.669 1.00 0.00 C ATOM 433 O GLU A 27 -2.008 5.616 -5.006 1.00 0.00 O ATOM 434 CB GLU A 27 -0.739 3.009 -3.536 1.00 0.00 C ATOM 435 CG GLU A 27 0.567 3.779 -3.686 1.00 0.00 C ATOM 436 CD GLU A 27 0.789 4.344 -5.077 1.00 0.00 C ATOM 437 OE1 GLU A 27 0.603 3.601 -6.067 1.00 0.00 O ATOM 438 OE2 GLU A 27 1.169 5.535 -5.183 1.00 0.00 O ATOM 0 H GLU A 27 -2.780 2.028 -2.748 1.00 0.00 H new ATOM 0 HA GLU A 27 -1.770 4.687 -2.675 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -0.651 2.341 -2.679 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.874 2.382 -4.417 1.00 0.00 H new ATOM 0 HG2 GLU A 27 0.581 4.597 -2.965 1.00 0.00 H new ATOM 0 HG3 GLU A 27 1.398 3.119 -3.435 1.00 0.00 H new ATOM 445 N TYR A 28 -3.259 3.791 -5.412 1.00 0.00 N ATOM 446 CA TYR A 28 -3.685 4.243 -6.745 1.00 0.00 C ATOM 447 C TYR A 28 -4.814 5.258 -6.636 1.00 0.00 C ATOM 448 O TYR A 28 -5.066 6.015 -7.579 1.00 0.00 O ATOM 449 CB TYR A 28 -4.158 3.046 -7.580 1.00 0.00 C ATOM 450 CG TYR A 28 -3.581 1.724 -7.134 1.00 0.00 C ATOM 451 CD1 TYR A 28 -2.337 1.318 -7.564 1.00 0.00 C ATOM 452 CD2 TYR A 28 -4.314 0.893 -6.291 1.00 0.00 C ATOM 453 CE1 TYR A 28 -1.826 0.099 -7.162 1.00 0.00 C ATOM 454 CE2 TYR A 28 -3.793 -0.326 -5.896 1.00 0.00 C ATOM 455 CZ TYR A 28 -2.553 -0.718 -6.328 1.00 0.00 C ATOM 456 OH TYR A 28 -2.038 -1.929 -5.931 1.00 0.00 O ATOM 0 H TYR A 28 -3.662 2.900 -5.121 1.00 0.00 H new ATOM 0 HA TYR A 28 -2.832 4.715 -7.232 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -5.246 2.991 -7.534 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -3.891 3.215 -8.623 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -1.759 1.955 -8.218 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -5.290 1.200 -5.945 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -0.851 -0.214 -7.504 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -4.365 -0.971 -5.245 1.00 0.00 H new ATOM 0 HH TYR A 28 -1.077 -1.955 -6.123 1.00 0.00 H new ATOM 466 N LYS A 29 -5.482 5.290 -5.500 1.00 0.00 N ATOM 467 CA LYS A 29 -6.706 6.076 -5.375 1.00 0.00 C ATOM 468 C LYS A 29 -6.439 7.458 -4.855 1.00 0.00 C ATOM 469 O LYS A 29 -5.451 7.713 -4.156 1.00 0.00 O ATOM 470 CB LYS A 29 -7.703 5.335 -4.495 1.00 0.00 C ATOM 471 CG LYS A 29 -8.282 4.089 -5.138 1.00 0.00 C ATOM 472 CD LYS A 29 -9.324 3.426 -4.236 1.00 0.00 C ATOM 473 CE LYS A 29 -9.984 2.248 -4.935 1.00 0.00 C ATOM 474 NZ LYS A 29 -10.996 1.585 -4.076 1.00 0.00 N ATOM 0 H LYS A 29 -5.207 4.789 -4.655 1.00 0.00 H new ATOM 0 HA LYS A 29 -7.134 6.199 -6.370 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.213 5.056 -3.562 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -8.518 6.011 -4.237 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.739 4.350 -6.093 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -7.480 3.382 -5.351 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -8.849 3.087 -3.315 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -10.082 4.156 -3.953 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -10.459 2.592 -5.854 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -9.222 1.524 -5.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -11.421 0.788 -4.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -10.540 1.233 -3.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -11.738 2.268 -3.823 1.00 0.00 H new ATOM 488 N GLU A 30 -7.353 8.360 -5.192 1.00 0.00 N ATOM 489 CA GLU A 30 -7.293 9.745 -4.760 1.00 0.00 C ATOM 490 C GLU A 30 -7.704 9.846 -3.297 1.00 0.00 C ATOM 491 O GLU A 30 -8.773 9.371 -2.909 1.00 0.00 O ATOM 492 CB GLU A 30 -8.235 10.569 -5.635 1.00 0.00 C ATOM 493 CG GLU A 30 -8.277 12.053 -5.287 1.00 0.00 C ATOM 494 CD GLU A 30 -9.382 12.765 -6.019 1.00 0.00 C ATOM 495 OE1 GLU A 30 -9.205 13.112 -7.203 1.00 0.00 O ATOM 496 OE2 GLU A 30 -10.463 12.978 -5.412 1.00 0.00 O ATOM 0 H GLU A 30 -8.161 8.146 -5.777 1.00 0.00 H new ATOM 0 HA GLU A 30 -6.277 10.126 -4.859 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -7.933 10.460 -6.677 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -9.242 10.159 -5.551 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -8.417 12.171 -4.213 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -7.320 12.512 -5.536 1.00 0.00 H new ATOM 503 N ILE A 31 -6.834 10.422 -2.484 1.00 0.00 N ATOM 504 CA ILE A 31 -7.113 10.582 -1.067 1.00 0.00 C ATOM 505 C ILE A 31 -8.259 11.564 -0.845 1.00 0.00 C ATOM 506 O ILE A 31 -8.324 12.591 -1.529 1.00 0.00 O ATOM 507 CB ILE A 31 -5.863 11.086 -0.297 1.00 0.00 C ATOM 508 CG1 ILE A 31 -4.680 10.147 -0.523 1.00 0.00 C ATOM 509 CG2 ILE A 31 -6.148 11.218 1.194 1.00 0.00 C ATOM 510 CD1 ILE A 31 -3.411 10.636 0.097 1.00 0.00 C ATOM 0 H ILE A 31 -5.929 10.786 -2.781 1.00 0.00 H new ATOM 0 HA ILE A 31 -7.394 9.600 -0.686 1.00 0.00 H new ATOM 0 HB ILE A 31 -5.611 12.073 -0.684 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -4.921 9.165 -0.115 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -4.527 10.018 -1.594 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -5.253 11.573 1.705 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -6.960 11.929 1.348 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -6.435 10.247 1.597 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.611 9.923 -0.101 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.148 11.604 -0.329 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -3.548 10.738 1.174 1.00 0.00 H new ATOM 522 N PRO A 32 -9.181 11.247 0.077 1.00 0.00 N ATOM 523 CA PRO A 32 -10.248 12.171 0.461 1.00 0.00 C ATOM 524 C PRO A 32 -9.710 13.522 0.934 1.00 0.00 C ATOM 525 O PRO A 32 -8.668 13.575 1.584 1.00 0.00 O ATOM 526 CB PRO A 32 -10.976 11.427 1.592 1.00 0.00 C ATOM 527 CG PRO A 32 -10.649 9.996 1.377 1.00 0.00 C ATOM 528 CD PRO A 32 -9.267 9.984 0.801 1.00 0.00 C ATOM 0 HA PRO A 32 -10.899 12.420 -0.377 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -10.638 11.767 2.571 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -12.052 11.598 1.549 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -10.689 9.439 2.313 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -11.362 9.528 0.698 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -8.509 9.918 1.581 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -9.117 9.132 0.138 1.00 0.00 H new ATOM 536 N GLN A 33 -10.429 14.587 0.600 1.00 0.00 N ATOM 537 CA GLN A 33 -10.001 15.958 0.857 1.00 0.00 C ATOM 538 C GLN A 33 -9.697 16.230 2.337 1.00 0.00 C ATOM 539 O GLN A 33 -8.963 17.166 2.660 1.00 0.00 O ATOM 540 CB GLN A 33 -11.071 16.942 0.361 1.00 0.00 C ATOM 541 CG GLN A 33 -12.428 16.745 1.038 1.00 0.00 C ATOM 542 CD GLN A 33 -13.508 17.640 0.467 1.00 0.00 C ATOM 543 OE1 GLN A 33 -13.116 18.815 -0.008 1.00 0.00 O flip ATOM 544 NE2 GLN A 33 -14.682 17.286 0.454 1.00 0.00 N flip ATOM 0 H GLN A 33 -11.336 14.523 0.138 1.00 0.00 H new ATOM 0 HA GLN A 33 -9.069 16.101 0.310 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -10.728 17.961 0.538 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -11.189 16.828 -0.717 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -12.733 15.704 0.933 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -12.328 16.941 2.105 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -14.944 16.374 0.829 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -15.397 17.903 0.068 1.00 0.00 H new ATOM 553 N GLY A 34 -10.269 15.438 3.229 1.00 0.00 N ATOM 554 CA GLY A 34 -10.049 15.657 4.645 1.00 0.00 C ATOM 555 C GLY A 34 -8.790 14.985 5.138 1.00 0.00 C ATOM 556 O GLY A 34 -8.224 15.376 6.153 1.00 0.00 O ATOM 0 H GLY A 34 -10.878 14.652 3.002 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.987 16.728 4.840 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -10.904 15.280 5.206 1.00 0.00 H new ATOM 560 N TRP A 35 -8.322 13.995 4.406 1.00 0.00 N ATOM 561 CA TRP A 35 -7.187 13.189 4.837 1.00 0.00 C ATOM 562 C TRP A 35 -5.907 13.626 4.140 1.00 0.00 C ATOM 563 O TRP A 35 -5.916 14.055 2.986 1.00 0.00 O ATOM 564 CB TRP A 35 -7.456 11.707 4.566 1.00 0.00 C ATOM 565 CG TRP A 35 -8.614 11.167 5.353 1.00 0.00 C ATOM 566 CD1 TRP A 35 -9.949 11.366 5.107 1.00 0.00 C ATOM 567 CD2 TRP A 35 -8.559 10.323 6.507 1.00 0.00 C ATOM 568 NE1 TRP A 35 -10.707 10.719 6.042 1.00 0.00 N ATOM 569 CE2 TRP A 35 -9.882 10.052 6.908 1.00 0.00 C ATOM 570 CE3 TRP A 35 -7.514 9.755 7.238 1.00 0.00 C ATOM 571 CZ2 TRP A 35 -10.192 9.265 7.996 1.00 0.00 C ATOM 572 CZ3 TRP A 35 -7.820 8.958 8.319 1.00 0.00 C ATOM 573 CH2 TRP A 35 -9.144 8.722 8.702 1.00 0.00 C ATOM 0 H TRP A 35 -8.710 13.724 3.503 1.00 0.00 H new ATOM 0 HA TRP A 35 -7.056 13.336 5.909 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -7.650 11.567 3.503 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -6.562 11.132 4.805 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -10.345 11.951 4.290 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -11.726 10.731 6.088 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -6.486 9.937 6.961 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -11.217 9.082 8.283 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -7.019 8.505 8.884 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -9.347 8.104 9.565 1.00 0.00 H new ATOM 584 N ARG A 36 -4.800 13.505 4.862 1.00 0.00 N ATOM 585 CA ARG A 36 -3.505 13.934 4.355 1.00 0.00 C ATOM 586 C ARG A 36 -2.566 12.736 4.263 1.00 0.00 C ATOM 587 O ARG A 36 -2.560 11.876 5.152 1.00 0.00 O ATOM 588 CB ARG A 36 -2.910 14.991 5.282 1.00 0.00 C ATOM 589 CG ARG A 36 -2.043 16.004 4.545 1.00 0.00 C ATOM 590 CD ARG A 36 -2.853 16.813 3.550 1.00 0.00 C ATOM 591 NE ARG A 36 -4.060 17.413 4.170 1.00 0.00 N ATOM 592 CZ ARG A 36 -4.703 18.451 3.667 1.00 0.00 C ATOM 593 NH1 ARG A 36 -4.274 19.051 2.552 1.00 0.00 N ATOM 594 NH2 ARG A 36 -5.787 18.898 4.277 1.00 0.00 N ATOM 0 H ARG A 36 -4.774 13.112 5.803 1.00 0.00 H new ATOM 0 HA ARG A 36 -3.633 14.364 3.362 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.718 15.515 5.793 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.313 14.499 6.050 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -1.575 16.675 5.265 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -1.239 15.485 4.024 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -2.229 17.604 3.133 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -3.152 16.172 2.721 1.00 0.00 H new ATOM 0 HE ARG A 36 -4.413 17.000 5.033 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -3.439 18.708 2.077 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -4.782 19.852 2.176 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -6.119 18.442 5.127 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -6.292 19.699 3.898 1.00 0.00 H new ATOM 608 N ALA A 37 -1.781 12.654 3.207 1.00 0.00 N ATOM 609 CA ALA A 37 -0.847 11.575 3.001 1.00 0.00 C ATOM 610 C ALA A 37 0.361 11.737 3.906 1.00 0.00 C ATOM 611 O ALA A 37 0.951 12.821 3.995 1.00 0.00 O ATOM 612 CB ALA A 37 -0.430 11.499 1.543 1.00 0.00 C ATOM 0 H ALA A 37 -1.777 13.348 2.459 1.00 0.00 H new ATOM 0 HA ALA A 37 -1.339 10.637 3.259 1.00 0.00 H new ATOM 0 HB1 ALA A 37 0.275 10.679 1.408 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -1.309 11.328 0.922 1.00 0.00 H new ATOM 0 HB3 ALA A 37 0.044 12.436 1.251 1.00 0.00 H new ATOM 618 N ALA A 38 0.744 10.655 4.566 1.00 0.00 N ATOM 619 CA ALA A 38 1.882 10.653 5.481 1.00 0.00 C ATOM 620 C ALA A 38 2.567 9.296 5.465 1.00 0.00 C ATOM 621 O ALA A 38 1.980 8.287 5.054 1.00 0.00 O ATOM 622 CB ALA A 38 1.419 10.997 6.880 1.00 0.00 C ATOM 0 H ALA A 38 0.277 9.752 4.485 1.00 0.00 H new ATOM 0 HA ALA A 38 2.601 11.405 5.156 1.00 0.00 H new ATOM 0 HB1 ALA A 38 2.273 10.994 7.557 1.00 0.00 H new ATOM 0 HB2 ALA A 38 0.961 11.986 6.879 1.00 0.00 H new ATOM 0 HB3 ALA A 38 0.689 10.259 7.213 1.00 0.00 H new ATOM 628 N GLY A 39 3.824 9.268 5.898 1.00 0.00 N ATOM 629 CA GLY A 39 4.554 8.012 6.003 1.00 0.00 C ATOM 630 C GLY A 39 5.058 7.502 4.680 1.00 0.00 C ATOM 631 O GLY A 39 5.652 8.264 3.894 1.00 0.00 O ATOM 0 H GLY A 39 4.353 10.093 6.179 1.00 0.00 H new ATOM 0 HA2 GLY A 39 5.399 8.147 6.678 1.00 0.00 H new ATOM 0 HA3 GLY A 39 3.905 7.259 6.451 1.00 0.00 H new ATOM 635 N LYS A 40 4.824 6.229 4.402 1.00 0.00 N ATOM 636 CA LYS A 40 5.318 5.606 3.173 1.00 0.00 C ATOM 637 C LYS A 40 4.190 4.881 2.446 1.00 0.00 C ATOM 638 O LYS A 40 3.192 4.490 3.044 1.00 0.00 O ATOM 639 CB LYS A 40 6.445 4.608 3.480 1.00 0.00 C ATOM 640 CG LYS A 40 7.749 5.262 3.954 1.00 0.00 C ATOM 641 CD LYS A 40 8.312 6.210 2.907 1.00 0.00 C ATOM 642 CE LYS A 40 9.774 6.560 3.197 1.00 0.00 C ATOM 643 NZ LYS A 40 10.645 5.363 3.126 1.00 0.00 N ATOM 0 H LYS A 40 4.295 5.602 5.008 1.00 0.00 H new ATOM 0 HA LYS A 40 5.708 6.399 2.535 1.00 0.00 H new ATOM 0 HB2 LYS A 40 6.101 3.912 4.245 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.650 4.021 2.585 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.567 5.808 4.880 1.00 0.00 H new ATOM 0 HG3 LYS A 40 8.484 4.489 4.179 1.00 0.00 H new ATOM 0 HD2 LYS A 40 8.235 5.752 1.921 1.00 0.00 H new ATOM 0 HD3 LYS A 40 7.716 7.122 2.882 1.00 0.00 H new ATOM 0 HE2 LYS A 40 10.119 7.305 2.481 1.00 0.00 H new ATOM 0 HE3 LYS A 40 9.852 7.009 4.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 11.627 5.658 2.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 10.592 4.842 4.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 10.327 4.748 2.350 1.00 0.00 H new ATOM 657 N SER A 41 4.374 4.723 1.142 1.00 0.00 N ATOM 658 CA SER A 41 3.471 3.962 0.311 1.00 0.00 C ATOM 659 C SER A 41 4.167 2.717 -0.231 1.00 0.00 C ATOM 660 O SER A 41 5.381 2.672 -0.340 1.00 0.00 O ATOM 661 CB SER A 41 2.930 4.843 -0.823 1.00 0.00 C ATOM 662 OG SER A 41 3.970 5.604 -1.412 1.00 0.00 O ATOM 0 H SER A 41 5.162 5.125 0.634 1.00 0.00 H new ATOM 0 HA SER A 41 2.625 3.631 0.913 1.00 0.00 H new ATOM 0 HB2 SER A 41 2.457 4.218 -1.581 1.00 0.00 H new ATOM 0 HB3 SER A 41 2.160 5.510 -0.435 1.00 0.00 H new ATOM 0 HG SER A 41 3.603 6.157 -2.133 1.00 0.00 H new ATOM 668 N GLY A 42 3.366 1.711 -0.564 1.00 0.00 N ATOM 669 CA GLY A 42 3.892 0.461 -1.065 1.00 0.00 C ATOM 670 C GLY A 42 2.861 -0.636 -0.984 1.00 0.00 C ATOM 671 O GLY A 42 1.664 -0.363 -1.021 1.00 0.00 O ATOM 0 H GLY A 42 2.349 1.744 -0.493 1.00 0.00 H new ATOM 0 HA2 GLY A 42 4.212 0.587 -2.099 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.774 0.178 -0.490 1.00 0.00 H new ATOM 675 N LEU A 43 3.311 -1.884 -0.844 1.00 0.00 N ATOM 676 CA LEU A 43 2.403 -3.009 -0.725 1.00 0.00 C ATOM 677 C LEU A 43 1.538 -2.906 0.523 1.00 0.00 C ATOM 678 O LEU A 43 1.758 -2.045 1.386 1.00 0.00 O ATOM 679 CB LEU A 43 3.189 -4.329 -0.716 1.00 0.00 C ATOM 680 CG LEU A 43 3.288 -5.049 -2.062 1.00 0.00 C ATOM 681 CD1 LEU A 43 1.932 -5.504 -2.526 1.00 0.00 C ATOM 682 CD2 LEU A 43 3.947 -4.160 -3.124 1.00 0.00 C ATOM 0 H LEU A 43 4.299 -2.134 -0.811 1.00 0.00 H new ATOM 0 HA LEU A 43 1.741 -2.990 -1.590 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.198 -4.128 -0.357 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.724 -5.003 0.003 1.00 0.00 H new ATOM 0 HG LEU A 43 3.918 -5.927 -1.920 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.028 -6.013 -3.485 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.507 -6.189 -1.792 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.277 -4.640 -2.638 1.00 0.00 H new ATOM 0 HD21 LEU A 43 4.002 -4.701 -4.068 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.355 -3.255 -3.259 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.953 -3.891 -2.801 1.00 0.00 H new ATOM 694 N LYS A 44 0.559 -3.787 0.640 1.00 0.00 N ATOM 695 CA LYS A 44 -0.373 -3.760 1.746 1.00 0.00 C ATOM 696 C LYS A 44 0.337 -4.029 3.060 1.00 0.00 C ATOM 697 O LYS A 44 0.203 -3.269 4.021 1.00 0.00 O ATOM 698 CB LYS A 44 -1.488 -4.789 1.523 1.00 0.00 C ATOM 699 CG LYS A 44 -2.452 -4.913 2.701 1.00 0.00 C ATOM 700 CD LYS A 44 -3.542 -5.919 2.409 1.00 0.00 C ATOM 701 CE LYS A 44 -4.413 -6.169 3.636 1.00 0.00 C ATOM 702 NZ LYS A 44 -5.454 -7.196 3.369 1.00 0.00 N ATOM 0 H LYS A 44 0.391 -4.538 -0.029 1.00 0.00 H new ATOM 0 HA LYS A 44 -0.815 -2.765 1.797 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -2.051 -4.514 0.631 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -1.038 -5.763 1.329 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -1.904 -5.215 3.593 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.897 -3.941 2.914 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.162 -5.558 1.588 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -3.095 -6.857 2.081 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -3.787 -6.493 4.467 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -4.890 -5.237 3.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.027 -7.340 4.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -6.067 -6.876 2.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -4.998 -8.092 3.103 1.00 0.00 H new ATOM 716 N LYS A 45 1.120 -5.101 3.101 1.00 0.00 N ATOM 717 CA LYS A 45 1.827 -5.501 4.306 1.00 0.00 C ATOM 718 C LYS A 45 2.817 -4.420 4.740 1.00 0.00 C ATOM 719 O LYS A 45 3.088 -4.256 5.928 1.00 0.00 O ATOM 720 CB LYS A 45 2.521 -6.865 4.137 1.00 0.00 C ATOM 721 CG LYS A 45 3.972 -6.824 3.648 1.00 0.00 C ATOM 722 CD LYS A 45 4.077 -6.538 2.154 1.00 0.00 C ATOM 723 CE LYS A 45 5.507 -6.699 1.674 1.00 0.00 C ATOM 724 NZ LYS A 45 5.677 -6.242 0.270 1.00 0.00 N ATOM 0 H LYS A 45 1.281 -5.714 2.301 1.00 0.00 H new ATOM 0 HA LYS A 45 1.087 -5.618 5.098 1.00 0.00 H new ATOM 0 HB2 LYS A 45 2.496 -7.384 5.095 1.00 0.00 H new ATOM 0 HB3 LYS A 45 1.939 -7.462 3.435 1.00 0.00 H new ATOM 0 HG2 LYS A 45 4.517 -6.058 4.200 1.00 0.00 H new ATOM 0 HG3 LYS A 45 4.453 -7.777 3.867 1.00 0.00 H new ATOM 0 HD2 LYS A 45 3.425 -7.216 1.603 1.00 0.00 H new ATOM 0 HD3 LYS A 45 3.731 -5.525 1.948 1.00 0.00 H new ATOM 0 HE2 LYS A 45 6.174 -6.131 2.323 1.00 0.00 H new ATOM 0 HE3 LYS A 45 5.800 -7.746 1.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 6.511 -6.703 -0.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 4.831 -6.492 -0.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 5.808 -5.210 0.254 1.00 0.00 H new ATOM 738 N ASP A 46 3.334 -3.670 3.775 1.00 0.00 N ATOM 739 CA ASP A 46 4.246 -2.579 4.043 1.00 0.00 C ATOM 740 C ASP A 46 3.561 -1.505 4.869 1.00 0.00 C ATOM 741 O ASP A 46 4.142 -0.973 5.812 1.00 0.00 O ATOM 742 CB ASP A 46 4.756 -1.951 2.744 1.00 0.00 C ATOM 743 CG ASP A 46 5.851 -2.764 2.076 1.00 0.00 C ATOM 744 OD1 ASP A 46 7.035 -2.529 2.400 1.00 0.00 O ATOM 745 OD2 ASP A 46 5.543 -3.603 1.216 1.00 0.00 O ATOM 0 H ASP A 46 3.129 -3.806 2.785 1.00 0.00 H new ATOM 0 HA ASP A 46 5.091 -2.990 4.596 1.00 0.00 H new ATOM 0 HB2 ASP A 46 3.922 -1.838 2.051 1.00 0.00 H new ATOM 0 HB3 ASP A 46 5.133 -0.950 2.955 1.00 0.00 H new ATOM 750 N CYS A 47 2.323 -1.212 4.519 1.00 0.00 N ATOM 751 CA CYS A 47 1.578 -0.183 5.204 1.00 0.00 C ATOM 752 C CYS A 47 1.123 -0.709 6.566 1.00 0.00 C ATOM 753 O CYS A 47 1.178 0.013 7.556 1.00 0.00 O ATOM 754 CB CYS A 47 0.376 0.258 4.362 1.00 0.00 C ATOM 755 SG CYS A 47 -0.414 1.763 4.968 1.00 0.00 S ATOM 0 H CYS A 47 1.816 -1.674 3.764 1.00 0.00 H new ATOM 0 HA CYS A 47 2.218 0.687 5.355 1.00 0.00 H new ATOM 0 HB2 CYS A 47 0.701 0.417 3.334 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -0.359 -0.547 4.343 1.00 0.00 H new ATOM 0 HG CYS A 47 -0.612 1.664 6.249 1.00 0.00 H new ATOM 761 N LEU A 48 0.706 -1.977 6.612 1.00 0.00 N ATOM 762 CA LEU A 48 0.283 -2.596 7.844 1.00 0.00 C ATOM 763 C LEU A 48 1.414 -2.610 8.871 1.00 0.00 C ATOM 764 O LEU A 48 1.242 -2.198 10.025 1.00 0.00 O ATOM 765 CB LEU A 48 -0.173 -4.034 7.598 1.00 0.00 C ATOM 766 CG LEU A 48 -1.304 -4.201 6.581 1.00 0.00 C ATOM 767 CD1 LEU A 48 -1.697 -5.656 6.462 1.00 0.00 C ATOM 768 CD2 LEU A 48 -2.508 -3.365 6.980 1.00 0.00 C ATOM 0 H LEU A 48 0.657 -2.588 5.797 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.548 -2.007 8.232 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.685 -4.616 7.261 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -0.495 -4.462 8.547 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.946 -3.855 5.611 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.503 -5.757 5.735 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.837 -6.240 6.134 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.035 -6.022 7.431 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.302 -3.497 6.245 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.864 -3.684 7.960 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.223 -2.314 7.022 1.00 0.00 H new ATOM 780 N ALA A 49 2.578 -3.074 8.425 1.00 0.00 N ATOM 781 CA ALA A 49 3.793 -3.092 9.231 1.00 0.00 C ATOM 782 C ALA A 49 4.061 -1.701 9.790 1.00 0.00 C ATOM 783 O ALA A 49 4.339 -1.561 10.979 1.00 0.00 O ATOM 784 CB ALA A 49 4.966 -3.567 8.416 1.00 0.00 C ATOM 0 H ALA A 49 2.705 -3.451 7.486 1.00 0.00 H new ATOM 0 HA ALA A 49 3.654 -3.787 10.059 1.00 0.00 H new ATOM 0 HB1 ALA A 49 5.862 -3.573 9.037 1.00 0.00 H new ATOM 0 HB2 ALA A 49 4.771 -4.575 8.051 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.116 -2.897 7.569 1.00 0.00 H new ATOM 790 N TYR A 50 3.974 -0.715 8.931 1.00 0.00 N ATOM 791 CA TYR A 50 4.190 0.676 9.307 1.00 0.00 C ATOM 792 C TYR A 50 3.287 1.101 10.466 1.00 0.00 C ATOM 793 O TYR A 50 3.737 1.778 11.380 1.00 0.00 O ATOM 794 CB TYR A 50 3.962 1.600 8.105 1.00 0.00 C ATOM 795 CG TYR A 50 4.317 3.050 8.372 1.00 0.00 C ATOM 796 CD1 TYR A 50 3.377 3.920 8.925 1.00 0.00 C ATOM 797 CD2 TYR A 50 5.581 3.553 8.081 1.00 0.00 C ATOM 798 CE1 TYR A 50 3.683 5.240 9.176 1.00 0.00 C ATOM 799 CE2 TYR A 50 5.892 4.882 8.334 1.00 0.00 C ATOM 800 CZ TYR A 50 4.948 5.713 8.875 1.00 0.00 C ATOM 801 OH TYR A 50 5.259 7.026 9.113 1.00 0.00 O ATOM 0 H TYR A 50 3.751 -0.847 7.945 1.00 0.00 H new ATOM 0 HA TYR A 50 5.225 0.762 9.639 1.00 0.00 H new ATOM 0 HB2 TYR A 50 4.554 1.240 7.264 1.00 0.00 H new ATOM 0 HB3 TYR A 50 2.915 1.541 7.806 1.00 0.00 H new ATOM 0 HD1 TYR A 50 2.390 3.552 9.161 1.00 0.00 H new ATOM 0 HD2 TYR A 50 6.329 2.902 7.653 1.00 0.00 H new ATOM 0 HE1 TYR A 50 2.942 5.899 9.604 1.00 0.00 H new ATOM 0 HE2 TYR A 50 6.877 5.260 8.104 1.00 0.00 H new ATOM 0 HH TYR A 50 6.041 7.075 9.701 1.00 0.00 H new ATOM 811 N ILE A 51 2.026 0.689 10.443 1.00 0.00 N ATOM 812 CA ILE A 51 1.046 1.140 11.437 1.00 0.00 C ATOM 813 C ILE A 51 1.339 0.533 12.803 1.00 0.00 C ATOM 814 O ILE A 51 1.087 1.157 13.854 1.00 0.00 O ATOM 815 CB ILE A 51 -0.400 0.780 11.017 1.00 0.00 C ATOM 816 CG1 ILE A 51 -0.682 1.205 9.577 1.00 0.00 C ATOM 817 CG2 ILE A 51 -1.414 1.400 11.972 1.00 0.00 C ATOM 818 CD1 ILE A 51 -0.310 2.647 9.278 1.00 0.00 C ATOM 0 H ILE A 51 1.652 0.043 9.748 1.00 0.00 H new ATOM 0 HA ILE A 51 1.131 2.225 11.497 1.00 0.00 H new ATOM 0 HB ILE A 51 -0.500 -0.304 11.070 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -0.132 0.550 8.901 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.742 1.062 9.367 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -2.422 1.133 11.656 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -1.239 1.027 12.981 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -1.306 2.485 11.963 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -0.540 2.874 8.237 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -0.879 3.312 9.928 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.756 2.792 9.454 1.00 0.00 H new ATOM 830 N GLU A 52 1.822 -0.703 12.797 1.00 0.00 N ATOM 831 CA GLU A 52 2.180 -1.378 14.035 1.00 0.00 C ATOM 832 C GLU A 52 3.310 -0.643 14.767 1.00 0.00 C ATOM 833 O GLU A 52 3.297 -0.531 15.991 1.00 0.00 O ATOM 834 CB GLU A 52 2.579 -2.824 13.741 1.00 0.00 C ATOM 835 CG GLU A 52 2.684 -3.695 14.985 1.00 0.00 C ATOM 836 CD GLU A 52 1.334 -3.969 15.606 1.00 0.00 C ATOM 837 OE1 GLU A 52 0.843 -3.117 16.358 1.00 0.00 O ATOM 838 OE2 GLU A 52 0.763 -5.040 15.313 1.00 0.00 O ATOM 0 H GLU A 52 1.974 -1.255 11.953 1.00 0.00 H new ATOM 0 HA GLU A 52 1.309 -1.375 14.691 1.00 0.00 H new ATOM 0 HB2 GLU A 52 1.848 -3.262 13.062 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.538 -2.829 13.223 1.00 0.00 H new ATOM 0 HG2 GLU A 52 3.161 -4.640 14.725 1.00 0.00 H new ATOM 0 HG3 GLU A 52 3.326 -3.204 15.717 1.00 0.00 H new ATOM 845 N GLU A 53 4.276 -0.162 13.989 1.00 0.00 N ATOM 846 CA GLU A 53 5.482 0.493 14.539 1.00 0.00 C ATOM 847 C GLU A 53 5.168 1.514 15.640 1.00 0.00 C ATOM 848 O GLU A 53 5.625 1.320 16.768 1.00 0.00 O ATOM 849 CB GLU A 53 6.290 1.135 13.398 1.00 0.00 C ATOM 850 CG GLU A 53 6.732 0.147 12.350 1.00 0.00 C ATOM 851 CD GLU A 53 7.799 -0.794 12.833 1.00 0.00 C ATOM 852 OE1 GLU A 53 8.988 -0.399 12.877 1.00 0.00 O ATOM 853 OE2 GLU A 53 7.472 -1.965 13.161 1.00 0.00 O ATOM 0 H GLU A 53 4.256 -0.209 12.970 1.00 0.00 H new ATOM 0 HA GLU A 53 6.081 -0.281 15.018 1.00 0.00 H new ATOM 0 HB2 GLU A 53 5.686 1.909 12.925 1.00 0.00 H new ATOM 0 HB3 GLU A 53 7.168 1.627 13.816 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.869 -0.432 12.019 1.00 0.00 H new ATOM 0 HG3 GLU A 53 7.103 0.691 11.481 1.00 0.00 H new ATOM 860 N VAL A 54 4.415 2.613 15.398 1.00 0.00 N ATOM 861 CA VAL A 54 3.915 3.017 14.075 1.00 0.00 C ATOM 862 C VAL A 54 4.968 3.890 13.389 1.00 0.00 C ATOM 863 O VAL A 54 5.116 3.891 12.157 1.00 0.00 O ATOM 864 CB VAL A 54 2.580 3.808 14.191 1.00 0.00 C ATOM 865 CG1 VAL A 54 2.727 4.971 15.171 1.00 0.00 C ATOM 866 CG2 VAL A 54 2.114 4.339 12.843 1.00 0.00 C ATOM 0 H VAL A 54 4.135 3.255 16.140 1.00 0.00 H new ATOM 0 HA VAL A 54 3.725 2.119 13.488 1.00 0.00 H new ATOM 0 HB VAL A 54 1.829 3.110 14.561 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.783 5.512 15.238 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.996 4.586 16.155 1.00 0.00 H new ATOM 0 HG13 VAL A 54 3.508 5.646 14.820 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.179 4.885 12.970 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.871 5.008 12.434 1.00 0.00 H new ATOM 0 HG23 VAL A 54 1.957 3.506 12.158 1.00 0.00 H new ATOM 876 N TRP A 55 5.710 4.624 14.190 1.00 0.00 N ATOM 877 CA TRP A 55 6.906 5.321 13.724 1.00 0.00 C ATOM 878 C TRP A 55 7.927 5.323 14.860 1.00 0.00 C ATOM 879 O TRP A 55 8.786 6.177 14.965 1.00 0.00 O ATOM 880 CB TRP A 55 6.560 6.757 13.301 1.00 0.00 C ATOM 881 CG TRP A 55 7.637 7.408 12.504 1.00 0.00 C ATOM 882 CD1 TRP A 55 7.983 7.110 11.228 1.00 0.00 C ATOM 883 CD2 TRP A 55 8.517 8.471 12.926 1.00 0.00 C ATOM 884 NE1 TRP A 55 9.023 7.909 10.819 1.00 0.00 N ATOM 885 CE2 TRP A 55 9.374 8.739 11.843 1.00 0.00 C ATOM 886 CE3 TRP A 55 8.654 9.204 14.101 1.00 0.00 C ATOM 887 CZ2 TRP A 55 10.347 9.746 11.913 1.00 0.00 C ATOM 888 CZ3 TRP A 55 9.642 10.177 14.168 1.00 0.00 C ATOM 889 CH2 TRP A 55 10.466 10.448 13.074 1.00 0.00 C ATOM 0 H TRP A 55 5.508 4.759 15.181 1.00 0.00 H new ATOM 0 HA TRP A 55 7.321 4.814 12.853 1.00 0.00 H new ATOM 0 HB2 TRP A 55 5.640 6.745 12.716 1.00 0.00 H new ATOM 0 HB3 TRP A 55 6.364 7.354 14.191 1.00 0.00 H new ATOM 0 HD1 TRP A 55 7.509 6.353 10.620 1.00 0.00 H new ATOM 0 HE1 TRP A 55 9.462 7.885 9.898 1.00 0.00 H new ATOM 0 HE3 TRP A 55 8.005 9.020 14.944 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 10.985 9.959 11.068 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 9.776 10.735 15.083 1.00 0.00 H new ATOM 0 HH2 TRP A 55 11.210 11.227 13.150 1.00 0.00 H new ATOM 900 N THR A 56 7.817 4.306 15.713 1.00 0.00 N ATOM 901 CA THR A 56 8.622 4.218 16.915 1.00 0.00 C ATOM 902 C THR A 56 8.384 2.884 17.626 1.00 0.00 C ATOM 903 O THR A 56 7.520 2.765 18.497 1.00 0.00 O ATOM 904 CB THR A 56 8.369 5.407 17.866 1.00 0.00 C ATOM 905 OG1 THR A 56 9.116 5.227 19.092 1.00 0.00 O ATOM 906 CG2 THR A 56 6.889 5.585 18.178 1.00 0.00 C ATOM 0 H THR A 56 7.170 3.528 15.586 1.00 0.00 H new ATOM 0 HA THR A 56 9.669 4.267 16.614 1.00 0.00 H new ATOM 0 HB THR A 56 8.708 6.311 17.359 1.00 0.00 H new ATOM 0 HG1 THR A 56 8.952 5.986 19.690 1.00 0.00 H new ATOM 0 HG21 THR A 56 6.758 6.433 18.850 1.00 0.00 H new ATOM 0 HG22 THR A 56 6.342 5.767 17.253 1.00 0.00 H new ATOM 0 HG23 THR A 56 6.506 4.682 18.654 1.00 0.00 H new ATOM 914 N ASP A 57 9.124 1.873 17.212 1.00 0.00 N ATOM 915 CA ASP A 57 9.125 0.598 17.917 1.00 0.00 C ATOM 916 C ASP A 57 9.978 0.698 19.161 1.00 0.00 C ATOM 917 O ASP A 57 11.212 0.633 19.090 1.00 0.00 O ATOM 918 CB ASP A 57 9.645 -0.530 17.014 1.00 0.00 C ATOM 919 CG ASP A 57 9.777 -1.858 17.746 1.00 0.00 C ATOM 920 OD1 ASP A 57 8.793 -2.620 17.815 1.00 0.00 O ATOM 921 OD2 ASP A 57 10.885 -2.159 18.246 1.00 0.00 O ATOM 0 H ASP A 57 9.732 1.906 16.394 1.00 0.00 H new ATOM 0 HA ASP A 57 8.099 0.363 18.200 1.00 0.00 H new ATOM 0 HB2 ASP A 57 8.969 -0.652 16.168 1.00 0.00 H new ATOM 0 HB3 ASP A 57 10.616 -0.246 16.608 1.00 0.00 H new ATOM 926 N MET A 58 9.332 0.908 20.298 1.00 0.00 N ATOM 927 CA MET A 58 10.050 1.055 21.552 1.00 0.00 C ATOM 928 C MET A 58 9.443 0.146 22.613 1.00 0.00 C ATOM 929 O MET A 58 10.019 -0.082 23.670 1.00 0.00 O ATOM 930 CB MET A 58 10.012 2.513 22.009 1.00 0.00 C ATOM 931 CG MET A 58 11.004 2.837 23.128 1.00 0.00 C ATOM 932 SD MET A 58 12.713 2.492 22.678 1.00 0.00 S ATOM 933 CE MET A 58 13.556 3.029 24.161 1.00 0.00 C ATOM 0 H MET A 58 8.318 0.980 20.377 1.00 0.00 H new ATOM 0 HA MET A 58 11.090 0.765 21.402 1.00 0.00 H new ATOM 0 HB2 MET A 58 10.220 3.157 21.155 1.00 0.00 H new ATOM 0 HB3 MET A 58 9.004 2.751 22.350 1.00 0.00 H new ATOM 0 HG2 MET A 58 10.910 3.890 23.395 1.00 0.00 H new ATOM 0 HG3 MET A 58 10.744 2.259 24.015 1.00 0.00 H new ATOM 0 HE1 MET A 58 14.629 2.881 24.043 1.00 0.00 H new ATOM 0 HE2 MET A 58 13.352 4.086 24.333 1.00 0.00 H new ATOM 0 HE3 MET A 58 13.201 2.448 25.012 1.00 0.00 H new ATOM 943 N ARG A 59 8.253 -0.362 22.329 1.00 0.00 N ATOM 944 CA ARG A 59 7.574 -1.266 23.247 1.00 0.00 C ATOM 945 C ARG A 59 7.164 -2.533 22.526 1.00 0.00 C ATOM 946 O ARG A 59 6.494 -2.471 21.496 1.00 0.00 O ATOM 947 CB ARG A 59 6.343 -0.592 23.859 1.00 0.00 C ATOM 948 CG ARG A 59 6.673 0.670 24.650 1.00 0.00 C ATOM 949 CD ARG A 59 5.421 1.255 25.297 1.00 0.00 C ATOM 950 NE ARG A 59 4.410 1.608 24.309 1.00 0.00 N ATOM 951 CZ ARG A 59 3.386 2.429 24.530 1.00 0.00 C ATOM 952 NH1 ARG A 59 3.242 3.012 25.707 1.00 0.00 N ATOM 953 NH2 ARG A 59 2.509 2.655 23.560 1.00 0.00 N ATOM 0 H ARG A 59 7.738 -0.164 21.471 1.00 0.00 H new ATOM 0 HA ARG A 59 8.266 -1.521 24.050 1.00 0.00 H new ATOM 0 HB2 ARG A 59 5.643 -0.340 23.063 1.00 0.00 H new ATOM 0 HB3 ARG A 59 5.838 -1.301 24.515 1.00 0.00 H new ATOM 0 HG2 ARG A 59 7.410 0.439 25.419 1.00 0.00 H new ATOM 0 HG3 ARG A 59 7.124 1.410 23.989 1.00 0.00 H new ATOM 0 HD2 ARG A 59 5.005 0.533 25.999 1.00 0.00 H new ATOM 0 HD3 ARG A 59 5.690 2.141 25.872 1.00 0.00 H new ATOM 0 HE ARG A 59 4.493 1.196 23.380 1.00 0.00 H new ATOM 0 HH11 ARG A 59 3.917 2.834 26.451 1.00 0.00 H new ATOM 0 HH12 ARG A 59 2.456 3.640 25.872 1.00 0.00 H new ATOM 0 HH21 ARG A 59 2.623 2.201 22.654 1.00 0.00 H new ATOM 0 HH22 ARG A 59 1.721 3.283 23.721 1.00 0.00 H new ATOM 967 N PRO A 60 7.587 -3.687 23.025 1.00 0.00 N ATOM 968 CA PRO A 60 7.179 -4.983 22.484 1.00 0.00 C ATOM 969 C PRO A 60 5.711 -5.278 22.790 1.00 0.00 C ATOM 970 O PRO A 60 5.388 -6.182 23.580 1.00 0.00 O ATOM 971 CB PRO A 60 8.101 -5.984 23.184 1.00 0.00 C ATOM 972 CG PRO A 60 8.460 -5.324 24.465 1.00 0.00 C ATOM 973 CD PRO A 60 8.508 -3.852 24.161 1.00 0.00 C ATOM 0 HA PRO A 60 7.263 -5.024 21.398 1.00 0.00 H new ATOM 0 HB2 PRO A 60 7.597 -6.935 23.355 1.00 0.00 H new ATOM 0 HB3 PRO A 60 8.986 -6.195 22.584 1.00 0.00 H new ATOM 0 HG2 PRO A 60 7.723 -5.541 25.238 1.00 0.00 H new ATOM 0 HG3 PRO A 60 9.422 -5.680 24.833 1.00 0.00 H new ATOM 0 HD2 PRO A 60 8.193 -3.258 25.019 1.00 0.00 H new ATOM 0 HD3 PRO A 60 9.518 -3.531 23.905 1.00 0.00 H new ATOM 981 N LEU A 61 4.823 -4.517 22.154 1.00 0.00 N ATOM 982 CA LEU A 61 3.386 -4.638 22.364 1.00 0.00 C ATOM 983 C LEU A 61 2.866 -6.030 22.000 1.00 0.00 C ATOM 984 O LEU A 61 1.781 -6.439 22.429 1.00 0.00 O ATOM 985 CB LEU A 61 2.652 -3.552 21.556 1.00 0.00 C ATOM 986 CG LEU A 61 3.034 -3.447 20.067 1.00 0.00 C ATOM 987 CD1 LEU A 61 2.336 -4.517 19.230 1.00 0.00 C ATOM 988 CD2 LEU A 61 2.722 -2.050 19.537 1.00 0.00 C ATOM 0 H LEU A 61 5.082 -3.799 21.478 1.00 0.00 H new ATOM 0 HA LEU A 61 3.187 -4.496 23.426 1.00 0.00 H new ATOM 0 HB2 LEU A 61 1.580 -3.738 21.624 1.00 0.00 H new ATOM 0 HB3 LEU A 61 2.838 -2.587 22.028 1.00 0.00 H new ATOM 0 HG LEU A 61 4.107 -3.620 19.983 1.00 0.00 H new ATOM 0 HD11 LEU A 61 2.630 -4.411 18.186 1.00 0.00 H new ATOM 0 HD12 LEU A 61 2.623 -5.505 19.590 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.256 -4.399 19.317 1.00 0.00 H new ATOM 0 HD21 LEU A 61 2.997 -1.991 18.484 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.656 -1.849 19.646 1.00 0.00 H new ATOM 0 HD23 LEU A 61 3.290 -1.311 20.103 1.00 0.00 H new ATOM 1000 N SER A 62 3.678 -6.761 21.234 1.00 0.00 N ATOM 1001 CA SER A 62 3.364 -8.118 20.814 1.00 0.00 C ATOM 1002 C SER A 62 3.116 -9.024 22.031 1.00 0.00 C ATOM 1003 O SER A 62 2.219 -9.866 22.017 1.00 0.00 O ATOM 1004 CB SER A 62 4.502 -8.653 19.961 1.00 0.00 C ATOM 1005 OG SER A 62 5.748 -8.420 20.585 1.00 0.00 O ATOM 0 H SER A 62 4.576 -6.422 20.888 1.00 0.00 H new ATOM 0 HA SER A 62 2.448 -8.108 20.223 1.00 0.00 H new ATOM 0 HB2 SER A 62 4.367 -9.722 19.795 1.00 0.00 H new ATOM 0 HB3 SER A 62 4.485 -8.174 18.982 1.00 0.00 H new ATOM 0 HG SER A 62 6.467 -8.773 20.021 1.00 0.00 H new ATOM 1011 N LEU A 63 3.916 -8.839 23.082 1.00 0.00 N ATOM 1012 CA LEU A 63 3.780 -9.637 24.284 1.00 0.00 C ATOM 1013 C LEU A 63 3.211 -8.805 25.428 1.00 0.00 C ATOM 1014 O LEU A 63 3.079 -9.275 26.552 1.00 0.00 O ATOM 1015 CB LEU A 63 5.128 -10.258 24.681 1.00 0.00 C ATOM 1016 CG LEU A 63 6.331 -9.293 24.738 1.00 0.00 C ATOM 1017 CD1 LEU A 63 6.298 -8.437 26.001 1.00 0.00 C ATOM 1018 CD2 LEU A 63 7.641 -10.063 24.660 1.00 0.00 C ATOM 0 H LEU A 63 4.661 -8.143 23.118 1.00 0.00 H new ATOM 0 HA LEU A 63 3.081 -10.446 24.074 1.00 0.00 H new ATOM 0 HB2 LEU A 63 5.016 -10.724 25.660 1.00 0.00 H new ATOM 0 HB3 LEU A 63 5.360 -11.054 23.974 1.00 0.00 H new ATOM 0 HG LEU A 63 6.261 -8.629 23.877 1.00 0.00 H new ATOM 0 HD11 LEU A 63 7.159 -7.769 26.010 1.00 0.00 H new ATOM 0 HD12 LEU A 63 5.381 -7.848 26.017 1.00 0.00 H new ATOM 0 HD13 LEU A 63 6.330 -9.082 26.879 1.00 0.00 H new ATOM 0 HD21 LEU A 63 8.477 -9.364 24.702 1.00 0.00 H new ATOM 0 HD22 LEU A 63 7.706 -10.757 25.498 1.00 0.00 H new ATOM 0 HD23 LEU A 63 7.680 -10.620 23.724 1.00 0.00 H new ATOM 1030 N ARG A 64 2.846 -7.569 25.122 1.00 0.00 N ATOM 1031 CA ARG A 64 2.347 -6.651 26.144 1.00 0.00 C ATOM 1032 C ARG A 64 0.842 -6.699 26.264 1.00 0.00 C ATOM 1033 O ARG A 64 0.266 -5.990 27.085 1.00 0.00 O ATOM 1034 CB ARG A 64 2.823 -5.215 25.897 1.00 0.00 C ATOM 1035 CG ARG A 64 4.239 -4.957 26.377 1.00 0.00 C ATOM 1036 CD ARG A 64 4.346 -5.154 27.877 1.00 0.00 C ATOM 1037 NE ARG A 64 5.729 -5.029 28.355 1.00 0.00 N ATOM 1038 CZ ARG A 64 6.143 -5.515 29.533 1.00 0.00 C ATOM 1039 NH1 ARG A 64 5.280 -6.063 30.387 1.00 0.00 N ATOM 1040 NH2 ARG A 64 7.417 -5.390 29.881 1.00 0.00 N ATOM 0 H ARG A 64 2.884 -7.177 24.181 1.00 0.00 H new ATOM 0 HA ARG A 64 2.765 -6.987 27.093 1.00 0.00 H new ATOM 0 HB2 ARG A 64 2.764 -4.999 24.830 1.00 0.00 H new ATOM 0 HB3 ARG A 64 2.146 -4.524 26.399 1.00 0.00 H new ATOM 0 HG2 ARG A 64 4.928 -5.630 25.868 1.00 0.00 H new ATOM 0 HG3 ARG A 64 4.536 -3.941 26.117 1.00 0.00 H new ATOM 0 HD2 ARG A 64 3.720 -4.419 28.384 1.00 0.00 H new ATOM 0 HD3 ARG A 64 3.960 -6.138 28.141 1.00 0.00 H new ATOM 0 HE ARG A 64 6.406 -4.549 27.762 1.00 0.00 H new ATOM 0 HH11 ARG A 64 4.290 -6.117 30.148 1.00 0.00 H new ATOM 0 HH12 ARG A 64 5.609 -6.429 31.280 1.00 0.00 H new ATOM 0 HH21 ARG A 64 8.074 -4.926 29.253 1.00 0.00 H new ATOM 0 HH22 ARG A 64 7.740 -5.757 30.776 1.00 0.00 H new ATOM 1054 N GLN A 65 0.208 -7.539 25.463 1.00 0.00 N ATOM 1055 CA GLN A 65 -1.235 -7.704 25.529 1.00 0.00 C ATOM 1056 C GLN A 65 -1.642 -9.119 25.134 1.00 0.00 C ATOM 1057 O GLN A 65 -0.978 -9.749 24.295 1.00 0.00 O ATOM 1058 CB GLN A 65 -1.923 -6.685 24.616 1.00 0.00 C ATOM 1059 CG GLN A 65 -1.619 -6.893 23.133 1.00 0.00 C ATOM 1060 CD GLN A 65 -2.296 -5.859 22.246 1.00 0.00 C ATOM 1061 OE1 GLN A 65 -2.439 -4.648 22.757 1.00 0.00 O flip ATOM 1062 NE2 GLN A 65 -2.652 -6.141 21.108 1.00 0.00 N flip ATOM 0 H GLN A 65 0.669 -8.117 24.760 1.00 0.00 H new ATOM 0 HA GLN A 65 -1.551 -7.533 26.558 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -3.001 -6.741 24.769 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -1.612 -5.681 24.905 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -0.541 -6.850 22.977 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -1.944 -7.890 22.836 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -2.523 -7.089 20.753 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -3.077 -5.428 20.515 1.00 0.00 H new ATOM 1071 N HIS A 66 -2.700 -9.622 25.716 1.00 0.00 N ATOM 1072 CA HIS A 66 -3.205 -10.942 25.401 1.00 0.00 C ATOM 1073 C HIS A 66 -4.239 -10.849 24.300 1.00 0.00 C ATOM 1074 O HIS A 66 -4.136 -11.548 23.274 1.00 0.00 O ATOM 1075 CB HIS A 66 -3.809 -11.590 26.658 1.00 0.00 C ATOM 1076 CG HIS A 66 -4.064 -13.062 26.502 1.00 0.00 C ATOM 1077 ND1 HIS A 66 -3.167 -14.035 26.880 1.00 0.00 N ATOM 1078 CD2 HIS A 66 -5.150 -13.724 26.000 1.00 0.00 C ATOM 1079 CE1 HIS A 66 -3.670 -15.228 26.631 1.00 0.00 C ATOM 1080 NE2 HIS A 66 -4.875 -15.068 26.089 1.00 0.00 N ATOM 0 H HIS A 66 -3.241 -9.128 26.426 1.00 0.00 H new ATOM 0 HA HIS A 66 -2.382 -11.566 25.053 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -3.135 -11.432 27.500 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -4.746 -11.090 26.902 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -6.052 -13.277 25.608 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -3.187 -16.173 26.832 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -5.494 -15.821 25.788 1.00 0.00 H new ATOM 1089 N MET A 67 -5.235 -10.006 24.493 1.00 0.00 N ATOM 1090 CA MET A 67 -6.182 -9.688 23.441 1.00 0.00 C ATOM 1091 C MET A 67 -5.937 -8.267 22.921 1.00 0.00 C ATOM 1092 O MET A 67 -5.691 -8.070 21.722 1.00 0.00 O ATOM 1093 CB MET A 67 -7.643 -9.857 23.874 1.00 0.00 C ATOM 1094 CG MET A 67 -7.994 -9.268 25.232 1.00 0.00 C ATOM 1095 SD MET A 67 -7.447 -10.323 26.603 1.00 0.00 S ATOM 1096 CE MET A 67 -8.155 -9.441 27.989 1.00 0.00 C ATOM 0 H MET A 67 -5.410 -9.526 25.376 1.00 0.00 H new ATOM 0 HA MET A 67 -6.013 -10.406 22.638 1.00 0.00 H new ATOM 0 HB2 MET A 67 -8.283 -9.397 23.121 1.00 0.00 H new ATOM 0 HB3 MET A 67 -7.880 -10.921 23.886 1.00 0.00 H new ATOM 0 HG2 MET A 67 -7.535 -8.284 25.328 1.00 0.00 H new ATOM 0 HG3 MET A 67 -9.073 -9.124 25.295 1.00 0.00 H new ATOM 0 HE1 MET A 67 -7.910 -9.961 28.915 1.00 0.00 H new ATOM 0 HE2 MET A 67 -7.749 -8.430 28.023 1.00 0.00 H new ATOM 0 HE3 MET A 67 -9.238 -9.394 27.875 1.00 0.00 H new ATOM 1106 N ASP A 68 -5.958 -7.278 23.827 1.00 0.00 N ATOM 1107 CA ASP A 68 -5.734 -5.884 23.451 1.00 0.00 C ATOM 1108 C ASP A 68 -5.853 -4.959 24.648 1.00 0.00 C ATOM 1109 O ASP A 68 -6.970 -4.636 25.060 1.00 0.00 O ATOM 1110 CB ASP A 68 -6.730 -5.419 22.377 1.00 0.00 C ATOM 1111 CG ASP A 68 -6.518 -3.969 21.977 1.00 0.00 C ATOM 1112 OD1 ASP A 68 -5.688 -3.718 21.090 1.00 0.00 O ATOM 1113 OD2 ASP A 68 -7.185 -3.084 22.567 1.00 0.00 O ATOM 0 H ASP A 68 -6.128 -7.423 24.822 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.721 -5.836 23.051 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -6.632 -6.054 21.496 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -7.747 -5.545 22.750 1.00 0.00 H new ATOM 1118 N LYS A 69 -4.706 -4.580 25.222 1.00 0.00 N ATOM 1119 CA LYS A 69 -4.622 -3.502 26.213 1.00 0.00 C ATOM 1120 C LYS A 69 -3.246 -3.516 26.910 1.00 0.00 C ATOM 1121 O LYS A 69 -2.314 -2.846 26.468 1.00 0.00 O ATOM 1122 CB LYS A 69 -5.701 -3.598 27.279 1.00 0.00 C ATOM 1123 CG LYS A 69 -5.783 -2.353 28.172 1.00 0.00 C ATOM 1124 CD LYS A 69 -6.808 -2.524 29.284 1.00 0.00 C ATOM 1125 CE LYS A 69 -8.200 -2.777 28.730 1.00 0.00 C ATOM 1126 NZ LYS A 69 -9.206 -2.900 29.812 1.00 0.00 N ATOM 0 H LYS A 69 -3.807 -5.014 25.012 1.00 0.00 H new ATOM 0 HA LYS A 69 -4.766 -2.572 25.663 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -6.666 -3.755 26.797 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -5.510 -4.472 27.902 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -4.804 -2.152 28.607 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -6.046 -1.487 27.565 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -6.515 -3.355 29.925 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -6.821 -1.630 29.908 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -8.480 -1.961 28.063 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -8.194 -3.689 28.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -10.144 -3.072 29.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -8.952 -3.694 30.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -9.229 -2.020 30.366 1.00 0.00 H new ATOM 1140 N ALA A 70 -3.138 -4.310 27.965 1.00 0.00 N ATOM 1141 CA ALA A 70 -1.964 -4.352 28.811 1.00 0.00 C ATOM 1142 C ALA A 70 -1.981 -5.600 29.674 1.00 0.00 C ATOM 1143 O ALA A 70 -2.877 -5.758 30.515 1.00 0.00 O ATOM 1144 CB ALA A 70 -1.901 -3.106 29.701 1.00 0.00 C ATOM 0 H ALA A 70 -3.876 -4.950 28.258 1.00 0.00 H new ATOM 0 HA ALA A 70 -1.081 -4.374 28.172 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -1.013 -3.153 30.331 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -1.856 -2.214 29.076 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -2.790 -3.063 30.330 1.00 0.00 H new ATOM 1150 N ALA A 71 -0.991 -6.468 29.454 1.00 0.00 N ATOM 1151 CA ALA A 71 -0.978 -7.827 30.004 1.00 0.00 C ATOM 1152 C ALA A 71 -2.034 -8.682 29.306 1.00 0.00 C ATOM 1153 O ALA A 71 -1.733 -9.706 28.704 1.00 0.00 O ATOM 1154 CB ALA A 71 -1.179 -7.837 31.520 1.00 0.00 C ATOM 0 H ALA A 71 -0.172 -6.248 28.887 1.00 0.00 H new ATOM 0 HA ALA A 71 0.007 -8.254 29.815 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -1.162 -8.865 31.882 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -0.379 -7.271 31.997 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -2.140 -7.382 31.763 1.00 0.00 H new ATOM 1160 N GLY A 72 -3.285 -8.228 29.402 1.00 0.00 N ATOM 1161 CA GLY A 72 -4.349 -8.817 28.633 1.00 0.00 C ATOM 1162 C GLY A 72 -4.815 -7.837 27.576 1.00 0.00 C ATOM 1163 O GLY A 72 -5.192 -8.277 26.474 1.00 0.00 O ATOM 1164 OXT GLY A 72 -4.782 -6.623 27.848 1.00 0.00 O ATOM 0 H GLY A 72 -3.571 -7.457 30.006 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -4.005 -9.738 28.163 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -5.179 -9.084 29.287 1.00 0.00 H new TER 1168 GLY A 72