USER MOD reduce.3.24.130724 H: found=0, std=0, add=760, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 761 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 59 CYS SG : rot -120:sc= -3.98! USER MOD Set 1.2: A 69 TYR OH : rot 130:sc= 0 USER MOD Set 2.1: A 3 LYS NZ :NH3+ 177:sc= 0.00881 (180deg=0) USER MOD Set 2.2: A 5 ASN : amide:sc= -0.099 X(o=-0.09,f=-0.41) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot -120:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -0.477 X(o=-0.48,f=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0938) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 SER OG : rot 89:sc= 0.243 USER MOD Single : A 28 ASN : amide:sc= -0.0497 K(o=-0.05,f=-1.1) USER MOD Single : A 33 THR OG1 : rot 81:sc= 0.91 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= -0.0811 X(o=-0.081,f=0) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 47 HIS : no HD1:sc= -0.208 X(o=-0.21,f=-0.42) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 HIS : no HD1:sc= -4.68 X(o=-4.7,f=-4.6!) USER MOD Single : A 62 LYS NZ :NH3+ -106:sc= -1.69 (180deg=-6.78!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot -99:sc= -0.0147 USER MOD Single : A 84 HIS : no HD1:sc= -0.0296 K(o=-0.03,f=-0.69) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N LEU A 2 -10.490 -2.130 8.866 1.00 0.00 N ATOM 21 CA LEU A 2 -11.334 -2.681 7.814 1.00 0.00 C ATOM 22 C LEU A 2 -10.678 -3.901 7.171 1.00 0.00 C ATOM 23 O LEU A 2 -9.470 -4.101 7.286 1.00 0.00 O ATOM 24 CB LEU A 2 -11.615 -1.620 6.748 1.00 0.00 C ATOM 25 CG LEU A 2 -12.603 -0.530 7.166 1.00 0.00 C ATOM 26 CD1 LEU A 2 -12.384 0.731 6.347 1.00 0.00 C ATOM 27 CD2 LEU A 2 -14.034 -1.024 7.014 1.00 0.00 C ATOM 0 HA LEU A 2 -12.276 -2.992 8.266 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -10.673 -1.148 6.469 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -11.999 -2.115 5.856 1.00 0.00 H new ATOM 0 HG LEU A 2 -12.430 -0.291 8.215 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -13.096 1.495 6.658 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -11.369 1.095 6.504 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -12.530 0.508 5.290 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -14.725 -0.237 7.316 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -14.219 -1.290 5.973 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -14.185 -1.900 7.644 1.00 0.00 H new ATOM 39 N LYS A 3 -11.486 -4.711 6.495 1.00 0.00 N ATOM 40 CA LYS A 3 -10.987 -5.910 5.831 1.00 0.00 C ATOM 41 C LYS A 3 -9.911 -5.556 4.810 1.00 0.00 C ATOM 42 O LYS A 3 -9.914 -4.461 4.249 1.00 0.00 O ATOM 43 CB LYS A 3 -12.136 -6.647 5.143 1.00 0.00 C ATOM 44 CG LYS A 3 -11.946 -8.155 5.086 1.00 0.00 C ATOM 45 CD LYS A 3 -11.404 -8.598 3.736 1.00 0.00 C ATOM 46 CE LYS A 3 -12.359 -8.242 2.608 1.00 0.00 C ATOM 47 NZ LYS A 3 -12.110 -9.062 1.391 1.00 0.00 N ATOM 0 H LYS A 3 -12.489 -4.559 6.392 1.00 0.00 H new ATOM 0 HA LYS A 3 -10.546 -6.560 6.586 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -13.065 -6.426 5.669 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -12.246 -6.265 4.128 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -11.261 -8.466 5.874 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -12.898 -8.650 5.277 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -10.438 -8.126 3.558 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -11.236 -9.675 3.746 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -13.386 -8.390 2.942 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -12.253 -7.185 2.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -12.814 -8.825 0.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -11.156 -8.864 1.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -12.186 -10.071 1.631 1.00 0.00 H new ATOM 61 N LEU A 4 -8.992 -6.486 4.571 1.00 0.00 N ATOM 62 CA LEU A 4 -7.911 -6.263 3.616 1.00 0.00 C ATOM 63 C LEU A 4 -8.004 -7.237 2.446 1.00 0.00 C ATOM 64 O LEU A 4 -8.462 -8.370 2.602 1.00 0.00 O ATOM 65 CB LEU A 4 -6.554 -6.406 4.305 1.00 0.00 C ATOM 66 CG LEU A 4 -5.362 -5.885 3.498 1.00 0.00 C ATOM 67 CD1 LEU A 4 -4.971 -4.490 3.962 1.00 0.00 C ATOM 68 CD2 LEU A 4 -4.179 -6.835 3.613 1.00 0.00 C ATOM 0 H LEU A 4 -8.974 -7.400 5.024 1.00 0.00 H new ATOM 0 HA LEU A 4 -8.010 -5.249 3.229 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -6.589 -5.876 5.257 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -6.388 -7.459 4.532 1.00 0.00 H new ATOM 0 HG LEU A 4 -5.657 -5.830 2.450 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -4.122 -4.137 3.377 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -5.813 -3.812 3.826 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -4.697 -4.521 5.017 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -3.342 -6.446 3.032 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -3.884 -6.924 4.659 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -4.462 -7.816 3.231 1.00 0.00 H new ATOM 80 N ASN A 5 -7.561 -6.789 1.276 1.00 0.00 N ATOM 81 CA ASN A 5 -7.590 -7.619 0.078 1.00 0.00 C ATOM 82 C ASN A 5 -6.329 -7.413 -0.755 1.00 0.00 C ATOM 83 O ASN A 5 -5.446 -6.641 -0.381 1.00 0.00 O ATOM 84 CB ASN A 5 -8.828 -7.297 -0.760 1.00 0.00 C ATOM 85 CG ASN A 5 -9.465 -8.542 -1.348 1.00 0.00 C ATOM 86 OD1 ASN A 5 -9.665 -9.538 -0.654 1.00 0.00 O ATOM 87 ND2 ASN A 5 -9.790 -8.489 -2.634 1.00 0.00 N ATOM 0 H ASN A 5 -7.177 -5.855 1.132 1.00 0.00 H new ATOM 0 HA ASN A 5 -7.632 -8.663 0.389 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -9.558 -6.776 -0.140 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -8.552 -6.618 -1.566 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -10.224 -9.295 -3.084 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -9.606 -7.642 -3.172 1.00 0.00 H new ATOM 94 N LEU A 6 -6.251 -8.107 -1.885 1.00 0.00 N ATOM 95 CA LEU A 6 -5.097 -7.999 -2.771 1.00 0.00 C ATOM 96 C LEU A 6 -5.520 -8.107 -4.232 1.00 0.00 C ATOM 97 O LEU A 6 -6.430 -8.863 -4.571 1.00 0.00 O ATOM 98 CB LEU A 6 -4.071 -9.086 -2.442 1.00 0.00 C ATOM 99 CG LEU A 6 -3.694 -9.194 -0.964 1.00 0.00 C ATOM 100 CD1 LEU A 6 -4.546 -10.245 -0.273 1.00 0.00 C ATOM 101 CD2 LEU A 6 -2.216 -9.520 -0.812 1.00 0.00 C ATOM 0 H LEU A 6 -6.973 -8.750 -2.209 1.00 0.00 H new ATOM 0 HA LEU A 6 -4.642 -7.021 -2.616 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.464 -10.047 -2.772 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -3.166 -8.897 -3.019 1.00 0.00 H new ATOM 0 HG LEU A 6 -3.883 -8.231 -0.489 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -4.264 -10.308 0.778 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -5.598 -9.969 -0.351 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -4.388 -11.212 -0.750 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -1.966 -9.593 0.247 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -2.001 -10.470 -1.302 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.620 -8.731 -1.272 1.00 0.00 H new ATOM 113 N LYS A 7 -4.853 -7.346 -5.093 1.00 0.00 N ATOM 114 CA LYS A 7 -5.158 -7.355 -6.520 1.00 0.00 C ATOM 115 C LYS A 7 -3.984 -7.904 -7.324 1.00 0.00 C ATOM 116 O LYS A 7 -2.965 -8.303 -6.761 1.00 0.00 O ATOM 117 CB LYS A 7 -5.502 -5.943 -6.998 1.00 0.00 C ATOM 118 CG LYS A 7 -6.788 -5.395 -6.403 1.00 0.00 C ATOM 119 CD LYS A 7 -7.994 -6.222 -6.820 1.00 0.00 C ATOM 120 CE LYS A 7 -9.168 -5.339 -7.210 1.00 0.00 C ATOM 121 NZ LYS A 7 -10.474 -5.981 -6.892 1.00 0.00 N ATOM 0 H LYS A 7 -4.097 -6.715 -4.828 1.00 0.00 H new ATOM 0 HA LYS A 7 -6.019 -8.005 -6.678 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -4.680 -5.273 -6.745 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -5.587 -5.947 -8.085 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -6.711 -5.385 -5.316 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -6.926 -4.362 -6.722 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -7.724 -6.862 -7.660 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -8.287 -6.878 -6.000 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -9.095 -4.386 -6.687 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -9.120 -5.122 -8.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -11.250 -5.348 -7.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -10.555 -6.879 -7.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -10.530 -6.165 -5.870 1.00 0.00 H new ATOM 135 N LYS A 8 -4.134 -7.919 -8.645 1.00 0.00 N ATOM 136 CA LYS A 8 -3.086 -8.418 -9.527 1.00 0.00 C ATOM 137 C LYS A 8 -1.907 -7.451 -9.569 1.00 0.00 C ATOM 138 O LYS A 8 -0.759 -7.862 -9.737 1.00 0.00 O ATOM 139 CB LYS A 8 -3.640 -8.634 -10.938 1.00 0.00 C ATOM 140 CG LYS A 8 -3.501 -10.066 -11.433 1.00 0.00 C ATOM 141 CD LYS A 8 -4.844 -10.653 -11.843 1.00 0.00 C ATOM 142 CE LYS A 8 -5.358 -11.645 -10.813 1.00 0.00 C ATOM 143 NZ LYS A 8 -6.823 -11.503 -10.587 1.00 0.00 N ATOM 0 H LYS A 8 -4.971 -7.591 -9.127 1.00 0.00 H new ATOM 0 HA LYS A 8 -2.734 -9.372 -9.134 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -4.693 -8.354 -10.953 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -3.123 -7.968 -11.629 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -2.818 -10.093 -12.282 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -3.059 -10.681 -10.649 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -5.570 -9.850 -11.969 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -4.746 -11.148 -12.809 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -5.139 -12.660 -11.145 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -4.829 -11.497 -9.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -7.134 -12.197 -9.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -7.030 -10.543 -10.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -7.330 -11.669 -11.480 1.00 0.00 H new ATOM 157 N SER A 9 -2.198 -6.162 -9.417 1.00 0.00 N ATOM 158 CA SER A 9 -1.164 -5.137 -9.439 1.00 0.00 C ATOM 159 C SER A 9 -0.317 -5.190 -8.171 1.00 0.00 C ATOM 160 O SER A 9 0.882 -4.912 -8.202 1.00 0.00 O ATOM 161 CB SER A 9 -1.794 -3.750 -9.588 1.00 0.00 C ATOM 162 OG SER A 9 -0.999 -2.913 -10.411 1.00 0.00 O ATOM 0 H SER A 9 -3.143 -5.804 -9.277 1.00 0.00 H new ATOM 0 HA SER A 9 -0.517 -5.328 -10.295 1.00 0.00 H new ATOM 0 HB2 SER A 9 -2.792 -3.845 -10.017 1.00 0.00 H new ATOM 0 HB3 SER A 9 -1.911 -3.293 -8.605 1.00 0.00 H new ATOM 0 HG SER A 9 -0.719 -2.124 -9.902 1.00 0.00 H new ATOM 168 N PHE A 10 -0.947 -5.549 -7.059 1.00 0.00 N ATOM 169 CA PHE A 10 -0.250 -5.641 -5.781 1.00 0.00 C ATOM 170 C PHE A 10 0.523 -6.951 -5.675 1.00 0.00 C ATOM 171 O PHE A 10 1.579 -7.012 -5.045 1.00 0.00 O ATOM 172 CB PHE A 10 -1.242 -5.526 -4.623 1.00 0.00 C ATOM 173 CG PHE A 10 -0.585 -5.289 -3.293 1.00 0.00 C ATOM 174 CD1 PHE A 10 -0.222 -4.010 -2.902 1.00 0.00 C ATOM 175 CD2 PHE A 10 -0.329 -6.346 -2.434 1.00 0.00 C ATOM 176 CE1 PHE A 10 0.383 -3.790 -1.679 1.00 0.00 C ATOM 177 CE2 PHE A 10 0.277 -6.131 -1.211 1.00 0.00 C ATOM 178 CZ PHE A 10 0.633 -4.852 -0.833 1.00 0.00 C ATOM 0 H PHE A 10 -1.939 -5.781 -7.016 1.00 0.00 H new ATOM 0 HA PHE A 10 0.460 -4.815 -5.724 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -1.935 -4.710 -4.828 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -1.834 -6.440 -4.569 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -0.414 -3.176 -3.560 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -0.606 -7.349 -2.724 1.00 0.00 H new ATOM 0 HE1 PHE A 10 0.660 -2.788 -1.385 1.00 0.00 H new ATOM 0 HE2 PHE A 10 0.472 -6.963 -0.551 1.00 0.00 H new ATOM 0 HZ PHE A 10 1.106 -4.682 0.123 1.00 0.00 H new ATOM 188 N GLN A 11 -0.009 -7.998 -6.298 1.00 0.00 N ATOM 189 CA GLN A 11 0.631 -9.308 -6.275 1.00 0.00 C ATOM 190 C GLN A 11 2.026 -9.243 -6.888 1.00 0.00 C ATOM 191 O GLN A 11 2.956 -9.891 -6.408 1.00 0.00 O ATOM 192 CB GLN A 11 -0.222 -10.329 -7.030 1.00 0.00 C ATOM 193 CG GLN A 11 -1.357 -10.906 -6.201 1.00 0.00 C ATOM 194 CD GLN A 11 -2.256 -11.825 -7.004 1.00 0.00 C ATOM 195 OE1 GLN A 11 -1.925 -12.988 -7.239 1.00 0.00 O ATOM 196 NE2 GLN A 11 -3.403 -11.307 -7.430 1.00 0.00 N ATOM 0 H GLN A 11 -0.882 -7.964 -6.825 1.00 0.00 H new ATOM 0 HA GLN A 11 0.724 -9.620 -5.235 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -0.637 -9.856 -7.920 1.00 0.00 H new ATOM 0 HB3 GLN A 11 0.418 -11.143 -7.371 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -0.942 -11.456 -5.357 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -1.952 -10.091 -5.789 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -3.637 -10.338 -7.212 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -4.049 -11.878 -7.975 1.00 0.00 H new ATOM 205 N LYS A 12 2.163 -8.458 -7.951 1.00 0.00 N ATOM 206 CA LYS A 12 3.444 -8.309 -8.630 1.00 0.00 C ATOM 207 C LYS A 12 4.291 -7.217 -7.977 1.00 0.00 C ATOM 208 O LYS A 12 5.513 -7.204 -8.103 1.00 0.00 O ATOM 209 CB LYS A 12 3.223 -7.982 -10.109 1.00 0.00 C ATOM 210 CG LYS A 12 2.555 -6.637 -10.341 1.00 0.00 C ATOM 211 CD LYS A 12 1.715 -6.644 -11.608 1.00 0.00 C ATOM 212 CE LYS A 12 1.376 -5.232 -12.058 1.00 0.00 C ATOM 213 NZ LYS A 12 2.335 -4.729 -13.078 1.00 0.00 N ATOM 0 H LYS A 12 1.403 -7.915 -8.361 1.00 0.00 H new ATOM 0 HA LYS A 12 3.981 -9.254 -8.546 1.00 0.00 H new ATOM 0 HB2 LYS A 12 4.184 -7.994 -10.623 1.00 0.00 H new ATOM 0 HB3 LYS A 12 2.611 -8.764 -10.558 1.00 0.00 H new ATOM 0 HG2 LYS A 12 1.925 -6.390 -9.487 1.00 0.00 H new ATOM 0 HG3 LYS A 12 3.315 -5.859 -10.411 1.00 0.00 H new ATOM 0 HD2 LYS A 12 2.255 -7.160 -12.401 1.00 0.00 H new ATOM 0 HD3 LYS A 12 0.795 -7.202 -11.433 1.00 0.00 H new ATOM 0 HE2 LYS A 12 0.367 -5.215 -12.469 1.00 0.00 H new ATOM 0 HE3 LYS A 12 1.380 -4.565 -11.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 2.069 -3.764 -13.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 3.295 -4.721 -12.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 2.313 -5.350 -13.912 1.00 0.00 H new ATOM 227 N ASP A 13 3.631 -6.304 -7.278 1.00 0.00 N ATOM 228 CA ASP A 13 4.319 -5.209 -6.602 1.00 0.00 C ATOM 229 C ASP A 13 4.693 -5.590 -5.171 1.00 0.00 C ATOM 230 O ASP A 13 5.439 -4.874 -4.502 1.00 0.00 O ATOM 231 CB ASP A 13 3.442 -3.955 -6.594 1.00 0.00 C ATOM 232 CG ASP A 13 3.762 -3.019 -7.743 1.00 0.00 C ATOM 233 OD1 ASP A 13 4.915 -3.043 -8.223 1.00 0.00 O ATOM 234 OD2 ASP A 13 2.863 -2.262 -8.162 1.00 0.00 O ATOM 0 H ASP A 13 2.618 -6.299 -7.163 1.00 0.00 H new ATOM 0 HA ASP A 13 5.237 -5.002 -7.152 1.00 0.00 H new ATOM 0 HB2 ASP A 13 2.393 -4.248 -6.649 1.00 0.00 H new ATOM 0 HB3 ASP A 13 3.577 -3.427 -5.650 1.00 0.00 H new ATOM 239 N PHE A 14 4.168 -6.718 -4.702 1.00 0.00 N ATOM 240 CA PHE A 14 4.447 -7.185 -3.353 1.00 0.00 C ATOM 241 C PHE A 14 5.668 -8.097 -3.328 1.00 0.00 C ATOM 242 O PHE A 14 6.696 -7.753 -2.757 1.00 0.00 O ATOM 243 CB PHE A 14 3.229 -7.921 -2.786 1.00 0.00 C ATOM 244 CG PHE A 14 3.454 -8.493 -1.414 1.00 0.00 C ATOM 245 CD1 PHE A 14 3.407 -7.680 -0.294 1.00 0.00 C ATOM 246 CD2 PHE A 14 3.712 -9.845 -1.247 1.00 0.00 C ATOM 247 CE1 PHE A 14 3.614 -8.205 0.968 1.00 0.00 C ATOM 248 CE2 PHE A 14 3.920 -10.375 0.012 1.00 0.00 C ATOM 249 CZ PHE A 14 3.870 -9.552 1.121 1.00 0.00 C ATOM 0 H PHE A 14 3.547 -7.324 -5.238 1.00 0.00 H new ATOM 0 HA PHE A 14 4.660 -6.315 -2.732 1.00 0.00 H new ATOM 0 HB2 PHE A 14 2.384 -7.233 -2.749 1.00 0.00 H new ATOM 0 HB3 PHE A 14 2.954 -8.727 -3.466 1.00 0.00 H new ATOM 0 HD1 PHE A 14 3.207 -6.625 -0.408 1.00 0.00 H new ATOM 0 HD2 PHE A 14 3.751 -10.492 -2.111 1.00 0.00 H new ATOM 0 HE1 PHE A 14 3.575 -7.561 1.834 1.00 0.00 H new ATOM 0 HE2 PHE A 14 4.121 -11.430 0.129 1.00 0.00 H new ATOM 0 HZ PHE A 14 4.031 -9.963 2.107 1.00 0.00 H new ATOM 259 N ASP A 15 5.537 -9.270 -3.938 1.00 0.00 N ATOM 260 CA ASP A 15 6.622 -10.242 -3.973 1.00 0.00 C ATOM 261 C ASP A 15 7.512 -10.070 -5.203 1.00 0.00 C ATOM 262 O ASP A 15 8.708 -10.359 -5.152 1.00 0.00 O ATOM 263 CB ASP A 15 6.057 -11.663 -3.941 1.00 0.00 C ATOM 264 CG ASP A 15 6.903 -12.604 -3.105 1.00 0.00 C ATOM 265 OD1 ASP A 15 6.834 -12.518 -1.862 1.00 0.00 O ATOM 266 OD2 ASP A 15 7.635 -13.425 -3.695 1.00 0.00 O ATOM 0 H ASP A 15 4.688 -9.571 -4.416 1.00 0.00 H new ATOM 0 HA ASP A 15 7.239 -10.069 -3.091 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.043 -11.639 -3.542 1.00 0.00 H new ATOM 0 HB3 ASP A 15 5.990 -12.047 -4.959 1.00 0.00 H new ATOM 271 N LYS A 16 6.931 -9.618 -6.312 1.00 0.00 N ATOM 272 CA LYS A 16 7.700 -9.442 -7.541 1.00 0.00 C ATOM 273 C LYS A 16 8.537 -8.170 -7.498 1.00 0.00 C ATOM 274 O LYS A 16 9.578 -8.080 -8.150 1.00 0.00 O ATOM 275 CB LYS A 16 6.775 -9.429 -8.758 1.00 0.00 C ATOM 276 CG LYS A 16 6.972 -10.616 -9.686 1.00 0.00 C ATOM 277 CD LYS A 16 5.810 -10.766 -10.656 1.00 0.00 C ATOM 278 CE LYS A 16 4.865 -11.876 -10.225 1.00 0.00 C ATOM 279 NZ LYS A 16 3.447 -11.551 -10.538 1.00 0.00 N ATOM 0 H LYS A 16 5.944 -9.370 -6.385 1.00 0.00 H new ATOM 0 HA LYS A 16 8.381 -10.288 -7.627 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.740 -9.413 -8.417 1.00 0.00 H new ATOM 0 HB3 LYS A 16 6.940 -8.509 -9.319 1.00 0.00 H new ATOM 0 HG2 LYS A 16 7.900 -10.492 -10.245 1.00 0.00 H new ATOM 0 HG3 LYS A 16 7.075 -11.527 -9.096 1.00 0.00 H new ATOM 0 HD2 LYS A 16 5.263 -9.825 -10.719 1.00 0.00 H new ATOM 0 HD3 LYS A 16 6.193 -10.980 -11.654 1.00 0.00 H new ATOM 0 HE2 LYS A 16 5.143 -12.804 -10.724 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.970 -12.047 -9.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 2.854 -12.389 -10.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 3.126 -10.772 -9.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 3.368 -11.265 -11.535 1.00 0.00 H new ATOM 293 N LEU A 17 8.090 -7.189 -6.721 1.00 0.00 N ATOM 294 CA LEU A 17 8.818 -5.934 -6.596 1.00 0.00 C ATOM 295 C LEU A 17 10.042 -6.123 -5.710 1.00 0.00 C ATOM 296 O LEU A 17 11.064 -5.464 -5.895 1.00 0.00 O ATOM 297 CB LEU A 17 7.918 -4.843 -6.016 1.00 0.00 C ATOM 298 CG LEU A 17 8.053 -3.470 -6.675 1.00 0.00 C ATOM 299 CD1 LEU A 17 7.165 -2.453 -5.973 1.00 0.00 C ATOM 300 CD2 LEU A 17 9.503 -3.014 -6.660 1.00 0.00 C ATOM 0 H LEU A 17 7.232 -7.239 -6.172 1.00 0.00 H new ATOM 0 HA LEU A 17 9.141 -5.625 -7.590 1.00 0.00 H new ATOM 0 HB2 LEU A 17 6.881 -5.168 -6.099 1.00 0.00 H new ATOM 0 HB3 LEU A 17 8.136 -4.741 -4.953 1.00 0.00 H new ATOM 0 HG LEU A 17 7.729 -3.551 -7.712 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.273 -1.481 -6.455 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.125 -2.774 -6.034 1.00 0.00 H new ATOM 0 HD13 LEU A 17 7.459 -2.374 -4.927 1.00 0.00 H new ATOM 0 HD21 LEU A 17 9.581 -2.035 -7.133 1.00 0.00 H new ATOM 0 HD22 LEU A 17 9.853 -2.949 -5.630 1.00 0.00 H new ATOM 0 HD23 LEU A 17 10.116 -3.731 -7.207 1.00 0.00 H new ATOM 312 N LEU A 18 9.926 -7.033 -4.747 1.00 0.00 N ATOM 313 CA LEU A 18 11.025 -7.313 -3.826 1.00 0.00 C ATOM 314 C LEU A 18 12.292 -7.695 -4.585 1.00 0.00 C ATOM 315 O LEU A 18 13.387 -7.243 -4.253 1.00 0.00 O ATOM 316 CB LEU A 18 10.644 -8.439 -2.862 1.00 0.00 C ATOM 317 CG LEU A 18 9.777 -8.034 -1.661 1.00 0.00 C ATOM 318 CD1 LEU A 18 9.000 -6.753 -1.940 1.00 0.00 C ATOM 319 CD2 LEU A 18 8.831 -9.167 -1.287 1.00 0.00 C ATOM 0 H LEU A 18 9.086 -7.588 -4.584 1.00 0.00 H new ATOM 0 HA LEU A 18 11.220 -6.404 -3.256 1.00 0.00 H new ATOM 0 HB2 LEU A 18 10.114 -9.208 -3.424 1.00 0.00 H new ATOM 0 HB3 LEU A 18 11.560 -8.894 -2.486 1.00 0.00 H new ATOM 0 HG LEU A 18 10.440 -7.838 -0.819 1.00 0.00 H new ATOM 0 HD11 LEU A 18 8.397 -6.496 -1.069 1.00 0.00 H new ATOM 0 HD12 LEU A 18 9.698 -5.943 -2.150 1.00 0.00 H new ATOM 0 HD13 LEU A 18 8.348 -6.903 -2.801 1.00 0.00 H new ATOM 0 HD21 LEU A 18 8.222 -8.866 -0.434 1.00 0.00 H new ATOM 0 HD22 LEU A 18 8.183 -9.394 -2.133 1.00 0.00 H new ATOM 0 HD23 LEU A 18 9.410 -10.053 -1.025 1.00 0.00 H new ATOM 331 N LEU A 19 12.136 -8.535 -5.605 1.00 0.00 N ATOM 332 CA LEU A 19 13.268 -8.982 -6.409 1.00 0.00 C ATOM 333 C LEU A 19 13.512 -8.053 -7.598 1.00 0.00 C ATOM 334 O LEU A 19 14.235 -8.407 -8.531 1.00 0.00 O ATOM 335 CB LEU A 19 13.032 -10.410 -6.904 1.00 0.00 C ATOM 336 CG LEU A 19 11.815 -10.587 -7.815 1.00 0.00 C ATOM 337 CD1 LEU A 19 12.213 -10.422 -9.273 1.00 0.00 C ATOM 338 CD2 LEU A 19 11.173 -11.946 -7.586 1.00 0.00 C ATOM 0 H LEU A 19 11.236 -8.919 -5.894 1.00 0.00 H new ATOM 0 HA LEU A 19 14.155 -8.960 -5.776 1.00 0.00 H new ATOM 0 HB2 LEU A 19 13.920 -10.744 -7.441 1.00 0.00 H new ATOM 0 HB3 LEU A 19 12.918 -11.064 -6.039 1.00 0.00 H new ATOM 0 HG LEU A 19 11.084 -9.816 -7.570 1.00 0.00 H new ATOM 0 HD11 LEU A 19 11.335 -10.551 -9.907 1.00 0.00 H new ATOM 0 HD12 LEU A 19 12.628 -9.426 -9.426 1.00 0.00 H new ATOM 0 HD13 LEU A 19 12.961 -11.171 -9.533 1.00 0.00 H new ATOM 0 HD21 LEU A 19 10.309 -12.055 -8.242 1.00 0.00 H new ATOM 0 HD22 LEU A 19 11.896 -12.732 -7.805 1.00 0.00 H new ATOM 0 HD23 LEU A 19 10.853 -12.027 -6.547 1.00 0.00 H new ATOM 350 N ASN A 20 12.913 -6.866 -7.564 1.00 0.00 N ATOM 351 CA ASN A 20 13.077 -5.897 -8.643 1.00 0.00 C ATOM 352 C ASN A 20 13.834 -4.665 -8.155 1.00 0.00 C ATOM 353 O ASN A 20 13.585 -3.550 -8.613 1.00 0.00 O ATOM 354 CB ASN A 20 11.711 -5.488 -9.201 1.00 0.00 C ATOM 355 CG ASN A 20 11.617 -5.685 -10.701 1.00 0.00 C ATOM 356 OD1 ASN A 20 11.640 -4.722 -11.468 1.00 0.00 O ATOM 357 ND2 ASN A 20 11.509 -6.939 -11.128 1.00 0.00 N ATOM 0 H ASN A 20 12.311 -6.552 -6.803 1.00 0.00 H new ATOM 0 HA ASN A 20 13.658 -6.366 -9.437 1.00 0.00 H new ATOM 0 HB2 ASN A 20 10.932 -6.072 -8.711 1.00 0.00 H new ATOM 0 HB3 ASN A 20 11.523 -4.441 -8.962 1.00 0.00 H new ATOM 0 HD21 ASN A 20 11.441 -7.134 -12.127 1.00 0.00 H new ATOM 0 HD22 ASN A 20 11.494 -7.707 -10.457 1.00 0.00 H new ATOM 364 N GLY A 21 14.757 -4.876 -7.222 1.00 0.00 N ATOM 365 CA GLY A 21 15.533 -3.774 -6.685 1.00 0.00 C ATOM 366 C GLY A 21 14.870 -3.137 -5.480 1.00 0.00 C ATOM 367 O GLY A 21 15.071 -1.955 -5.203 1.00 0.00 O ATOM 0 H GLY A 21 14.981 -5.790 -6.829 1.00 0.00 H new ATOM 0 HA2 GLY A 21 16.523 -4.133 -6.405 1.00 0.00 H new ATOM 0 HA3 GLY A 21 15.674 -3.020 -7.460 1.00 0.00 H new ATOM 371 N PHE A 22 14.073 -3.925 -4.767 1.00 0.00 N ATOM 372 CA PHE A 22 13.369 -3.438 -3.587 1.00 0.00 C ATOM 373 C PHE A 22 13.861 -4.150 -2.329 1.00 0.00 C ATOM 374 O PHE A 22 14.277 -5.308 -2.381 1.00 0.00 O ATOM 375 CB PHE A 22 11.864 -3.651 -3.758 1.00 0.00 C ATOM 376 CG PHE A 22 11.051 -3.215 -2.572 1.00 0.00 C ATOM 377 CD1 PHE A 22 11.028 -3.977 -1.416 1.00 0.00 C ATOM 378 CD2 PHE A 22 10.313 -2.045 -2.617 1.00 0.00 C ATOM 379 CE1 PHE A 22 10.284 -3.577 -0.322 1.00 0.00 C ATOM 380 CE2 PHE A 22 9.565 -1.640 -1.526 1.00 0.00 C ATOM 381 CZ PHE A 22 9.551 -2.407 -0.377 1.00 0.00 C ATOM 0 H PHE A 22 13.898 -4.906 -4.986 1.00 0.00 H new ATOM 0 HA PHE A 22 13.572 -2.373 -3.477 1.00 0.00 H new ATOM 0 HB2 PHE A 22 11.527 -3.104 -4.639 1.00 0.00 H new ATOM 0 HB3 PHE A 22 11.675 -4.708 -3.947 1.00 0.00 H new ATOM 0 HD1 PHE A 22 11.597 -4.893 -1.369 1.00 0.00 H new ATOM 0 HD2 PHE A 22 10.321 -1.442 -3.513 1.00 0.00 H new ATOM 0 HE1 PHE A 22 10.276 -4.178 0.575 1.00 0.00 H new ATOM 0 HE2 PHE A 22 8.993 -0.725 -1.572 1.00 0.00 H new ATOM 0 HZ PHE A 22 8.968 -2.093 0.476 1.00 0.00 H new ATOM 391 N ASP A 23 13.812 -3.449 -1.201 1.00 0.00 N ATOM 392 CA ASP A 23 14.252 -4.013 0.071 1.00 0.00 C ATOM 393 C ASP A 23 13.085 -4.651 0.816 1.00 0.00 C ATOM 394 O ASP A 23 12.306 -3.964 1.475 1.00 0.00 O ATOM 395 CB ASP A 23 14.896 -2.929 0.938 1.00 0.00 C ATOM 396 CG ASP A 23 15.585 -3.502 2.161 1.00 0.00 C ATOM 397 OD1 ASP A 23 15.173 -4.588 2.622 1.00 0.00 O ATOM 398 OD2 ASP A 23 16.538 -2.865 2.659 1.00 0.00 O ATOM 0 H ASP A 23 13.472 -2.489 -1.141 1.00 0.00 H new ATOM 0 HA ASP A 23 14.991 -4.786 -0.139 1.00 0.00 H new ATOM 0 HB2 ASP A 23 15.621 -2.374 0.342 1.00 0.00 H new ATOM 0 HB3 ASP A 23 14.132 -2.219 1.254 1.00 0.00 H new ATOM 403 N ASP A 24 12.970 -5.971 0.705 1.00 0.00 N ATOM 404 CA ASP A 24 11.895 -6.708 1.365 1.00 0.00 C ATOM 405 C ASP A 24 11.857 -6.409 2.861 1.00 0.00 C ATOM 406 O ASP A 24 10.796 -6.447 3.485 1.00 0.00 O ATOM 407 CB ASP A 24 12.071 -8.211 1.140 1.00 0.00 C ATOM 408 CG ASP A 24 13.352 -8.743 1.749 1.00 0.00 C ATOM 409 OD1 ASP A 24 13.506 -8.646 2.985 1.00 0.00 O ATOM 410 OD2 ASP A 24 14.203 -9.254 0.991 1.00 0.00 O ATOM 0 H ASP A 24 13.609 -6.554 0.164 1.00 0.00 H new ATOM 0 HA ASP A 24 10.950 -6.385 0.928 1.00 0.00 H new ATOM 0 HB2 ASP A 24 11.221 -8.741 1.569 1.00 0.00 H new ATOM 0 HB3 ASP A 24 12.068 -8.418 0.070 1.00 0.00 H new ATOM 415 N SER A 25 13.020 -6.115 3.431 1.00 0.00 N ATOM 416 CA SER A 25 13.119 -5.813 4.856 1.00 0.00 C ATOM 417 C SER A 25 12.249 -4.616 5.227 1.00 0.00 C ATOM 418 O SER A 25 11.813 -4.485 6.370 1.00 0.00 O ATOM 419 CB SER A 25 14.575 -5.538 5.237 1.00 0.00 C ATOM 420 OG SER A 25 15.437 -6.530 4.709 1.00 0.00 O ATOM 0 H SER A 25 13.907 -6.079 2.930 1.00 0.00 H new ATOM 0 HA SER A 25 12.760 -6.680 5.410 1.00 0.00 H new ATOM 0 HB2 SER A 25 14.873 -4.558 4.865 1.00 0.00 H new ATOM 0 HB3 SER A 25 14.671 -5.509 6.322 1.00 0.00 H new ATOM 0 HG SER A 25 15.723 -6.269 3.809 1.00 0.00 H new ATOM 426 N VAL A 26 12.002 -3.741 4.256 1.00 0.00 N ATOM 427 CA VAL A 26 11.185 -2.554 4.486 1.00 0.00 C ATOM 428 C VAL A 26 9.700 -2.867 4.340 1.00 0.00 C ATOM 429 O VAL A 26 8.868 -2.324 5.065 1.00 0.00 O ATOM 430 CB VAL A 26 11.560 -1.418 3.516 1.00 0.00 C ATOM 431 CG1 VAL A 26 10.796 -0.147 3.855 1.00 0.00 C ATOM 432 CG2 VAL A 26 13.060 -1.170 3.537 1.00 0.00 C ATOM 0 H VAL A 26 12.356 -3.832 3.304 1.00 0.00 H new ATOM 0 HA VAL A 26 11.382 -2.229 5.507 1.00 0.00 H new ATOM 0 HB VAL A 26 11.280 -1.722 2.507 1.00 0.00 H new ATOM 0 HG11 VAL A 26 11.076 0.643 3.158 1.00 0.00 H new ATOM 0 HG12 VAL A 26 9.725 -0.335 3.779 1.00 0.00 H new ATOM 0 HG13 VAL A 26 11.039 0.163 4.871 1.00 0.00 H new ATOM 0 HG21 VAL A 26 13.305 -0.364 2.845 1.00 0.00 H new ATOM 0 HG22 VAL A 26 13.368 -0.890 4.544 1.00 0.00 H new ATOM 0 HG23 VAL A 26 13.583 -2.078 3.236 1.00 0.00 H new ATOM 442 N LEU A 27 9.372 -3.744 3.396 1.00 0.00 N ATOM 443 CA LEU A 27 7.985 -4.126 3.156 1.00 0.00 C ATOM 444 C LEU A 27 7.336 -4.650 4.436 1.00 0.00 C ATOM 445 O LEU A 27 6.151 -4.427 4.680 1.00 0.00 O ATOM 446 CB LEU A 27 7.908 -5.181 2.042 1.00 0.00 C ATOM 447 CG LEU A 27 7.673 -6.623 2.506 1.00 0.00 C ATOM 448 CD1 LEU A 27 6.197 -6.857 2.787 1.00 0.00 C ATOM 449 CD2 LEU A 27 8.182 -7.608 1.466 1.00 0.00 C ATOM 0 H LEU A 27 10.048 -4.203 2.785 1.00 0.00 H new ATOM 0 HA LEU A 27 7.436 -3.240 2.836 1.00 0.00 H new ATOM 0 HB2 LEU A 27 7.105 -4.903 1.359 1.00 0.00 H new ATOM 0 HB3 LEU A 27 8.837 -5.149 1.472 1.00 0.00 H new ATOM 0 HG LEU A 27 8.229 -6.783 3.430 1.00 0.00 H new ATOM 0 HD11 LEU A 27 6.048 -7.886 3.115 1.00 0.00 H new ATOM 0 HD12 LEU A 27 5.863 -6.175 3.568 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.621 -6.679 1.879 1.00 0.00 H new ATOM 0 HD21 LEU A 27 8.007 -8.626 1.813 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.655 -7.449 0.525 1.00 0.00 H new ATOM 0 HD23 LEU A 27 9.250 -7.456 1.313 1.00 0.00 H new ATOM 461 N ASN A 28 8.123 -5.353 5.244 1.00 0.00 N ATOM 462 CA ASN A 28 7.632 -5.918 6.495 1.00 0.00 C ATOM 463 C ASN A 28 6.972 -4.850 7.360 1.00 0.00 C ATOM 464 O ASN A 28 5.767 -4.891 7.600 1.00 0.00 O ATOM 465 CB ASN A 28 8.779 -6.577 7.265 1.00 0.00 C ATOM 466 CG ASN A 28 8.330 -7.802 8.035 1.00 0.00 C ATOM 467 OD1 ASN A 28 7.138 -8.009 8.257 1.00 0.00 O ATOM 468 ND2 ASN A 28 9.288 -8.624 8.448 1.00 0.00 N ATOM 0 H ASN A 28 9.106 -5.545 5.054 1.00 0.00 H new ATOM 0 HA ASN A 28 6.883 -6.672 6.252 1.00 0.00 H new ATOM 0 HB2 ASN A 28 9.567 -6.859 6.567 1.00 0.00 H new ATOM 0 HB3 ASN A 28 9.211 -5.854 7.957 1.00 0.00 H new ATOM 0 HD21 ASN A 28 9.047 -9.466 8.971 1.00 0.00 H new ATOM 0 HD22 ASN A 28 10.265 -8.414 8.242 1.00 0.00 H new ATOM 475 N GLU A 29 7.773 -3.896 7.826 1.00 0.00 N ATOM 476 CA GLU A 29 7.274 -2.811 8.670 1.00 0.00 C ATOM 477 C GLU A 29 6.000 -2.197 8.096 1.00 0.00 C ATOM 478 O GLU A 29 5.161 -1.680 8.834 1.00 0.00 O ATOM 479 CB GLU A 29 8.346 -1.732 8.830 1.00 0.00 C ATOM 480 CG GLU A 29 9.423 -2.089 9.842 1.00 0.00 C ATOM 481 CD GLU A 29 9.591 -1.030 10.914 1.00 0.00 C ATOM 482 OE1 GLU A 29 9.595 0.171 10.568 1.00 0.00 O ATOM 483 OE2 GLU A 29 9.721 -1.400 12.100 1.00 0.00 O ATOM 0 H GLU A 29 8.774 -3.851 7.633 1.00 0.00 H new ATOM 0 HA GLU A 29 7.035 -3.232 9.647 1.00 0.00 H new ATOM 0 HB2 GLU A 29 8.814 -1.551 7.863 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.869 -0.800 9.133 1.00 0.00 H new ATOM 0 HG2 GLU A 29 9.173 -3.040 10.312 1.00 0.00 H new ATOM 0 HG3 GLU A 29 10.371 -2.229 9.323 1.00 0.00 H new ATOM 490 N VAL A 30 5.861 -2.255 6.776 1.00 0.00 N ATOM 491 CA VAL A 30 4.690 -1.704 6.104 1.00 0.00 C ATOM 492 C VAL A 30 3.473 -2.603 6.286 1.00 0.00 C ATOM 493 O VAL A 30 2.524 -2.248 6.984 1.00 0.00 O ATOM 494 CB VAL A 30 4.949 -1.506 4.599 1.00 0.00 C ATOM 495 CG1 VAL A 30 3.772 -0.807 3.937 1.00 0.00 C ATOM 496 CG2 VAL A 30 6.238 -0.730 4.375 1.00 0.00 C ATOM 0 H VAL A 30 6.546 -2.679 6.150 1.00 0.00 H new ATOM 0 HA VAL A 30 4.491 -0.735 6.562 1.00 0.00 H new ATOM 0 HB VAL A 30 5.060 -2.488 4.138 1.00 0.00 H new ATOM 0 HG11 VAL A 30 3.977 -0.677 2.874 1.00 0.00 H new ATOM 0 HG12 VAL A 30 2.873 -1.410 4.063 1.00 0.00 H new ATOM 0 HG13 VAL A 30 3.622 0.169 4.399 1.00 0.00 H new ATOM 0 HG21 VAL A 30 6.403 -0.600 3.305 1.00 0.00 H new ATOM 0 HG22 VAL A 30 6.162 0.247 4.851 1.00 0.00 H new ATOM 0 HG23 VAL A 30 7.074 -1.280 4.807 1.00 0.00 H new ATOM 506 N ILE A 31 3.507 -3.770 5.650 1.00 0.00 N ATOM 507 CA ILE A 31 2.408 -4.723 5.736 1.00 0.00 C ATOM 508 C ILE A 31 2.103 -5.082 7.193 1.00 0.00 C ATOM 509 O ILE A 31 0.988 -5.483 7.522 1.00 0.00 O ATOM 510 CB ILE A 31 2.725 -6.003 4.918 1.00 0.00 C ATOM 511 CG1 ILE A 31 1.928 -6.005 3.612 1.00 0.00 C ATOM 512 CG2 ILE A 31 2.438 -7.270 5.717 1.00 0.00 C ATOM 513 CD1 ILE A 31 2.230 -4.824 2.717 1.00 0.00 C ATOM 0 H ILE A 31 4.286 -4.078 5.068 1.00 0.00 H new ATOM 0 HA ILE A 31 1.523 -4.251 5.310 1.00 0.00 H new ATOM 0 HB ILE A 31 3.790 -5.995 4.688 1.00 0.00 H new ATOM 0 HG12 ILE A 31 2.140 -6.926 3.068 1.00 0.00 H new ATOM 0 HG13 ILE A 31 0.863 -6.010 3.846 1.00 0.00 H new ATOM 0 HG21 ILE A 31 2.673 -8.144 5.110 1.00 0.00 H new ATOM 0 HG22 ILE A 31 3.051 -7.279 6.618 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.384 -7.294 5.995 1.00 0.00 H new ATOM 0 HD11 ILE A 31 1.629 -4.892 1.810 1.00 0.00 H new ATOM 0 HD12 ILE A 31 1.992 -3.899 3.242 1.00 0.00 H new ATOM 0 HD13 ILE A 31 3.287 -4.829 2.453 1.00 0.00 H new ATOM 525 N LEU A 32 3.102 -4.929 8.058 1.00 0.00 N ATOM 526 CA LEU A 32 2.941 -5.234 9.476 1.00 0.00 C ATOM 527 C LEU A 32 2.051 -4.197 10.161 1.00 0.00 C ATOM 528 O LEU A 32 1.490 -4.457 11.226 1.00 0.00 O ATOM 529 CB LEU A 32 4.316 -5.295 10.158 1.00 0.00 C ATOM 530 CG LEU A 32 4.366 -4.800 11.607 1.00 0.00 C ATOM 531 CD1 LEU A 32 5.534 -5.436 12.346 1.00 0.00 C ATOM 532 CD2 LEU A 32 4.471 -3.281 11.644 1.00 0.00 C ATOM 0 H LEU A 32 4.031 -4.596 7.802 1.00 0.00 H new ATOM 0 HA LEU A 32 2.456 -6.206 9.567 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.666 -6.327 10.135 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.019 -4.706 9.569 1.00 0.00 H new ATOM 0 HG LEU A 32 3.443 -5.094 12.107 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.555 -5.074 13.374 1.00 0.00 H new ATOM 0 HD12 LEU A 32 5.418 -6.520 12.346 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.467 -5.171 11.849 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.506 -2.944 12.680 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.379 -2.966 11.129 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.604 -2.844 11.149 1.00 0.00 H new ATOM 544 N THR A 33 1.934 -3.019 9.555 1.00 0.00 N ATOM 545 CA THR A 33 1.122 -1.949 10.119 1.00 0.00 C ATOM 546 C THR A 33 -0.319 -2.019 9.620 1.00 0.00 C ATOM 547 O THR A 33 -1.254 -1.672 10.340 1.00 0.00 O ATOM 548 CB THR A 33 1.730 -0.588 9.770 1.00 0.00 C ATOM 549 OG1 THR A 33 3.043 -0.479 10.291 1.00 0.00 O ATOM 550 CG2 THR A 33 0.929 0.584 10.296 1.00 0.00 C ATOM 0 H THR A 33 2.391 -2.783 8.674 1.00 0.00 H new ATOM 0 HA THR A 33 1.110 -2.074 11.202 1.00 0.00 H new ATOM 0 HB THR A 33 1.729 -0.544 8.681 1.00 0.00 H new ATOM 0 HG1 THR A 33 3.671 -0.936 9.694 1.00 0.00 H new ATOM 0 HG21 THR A 33 1.418 1.516 10.012 1.00 0.00 H new ATOM 0 HG22 THR A 33 -0.075 0.557 9.873 1.00 0.00 H new ATOM 0 HG23 THR A 33 0.867 0.524 11.383 1.00 0.00 H new ATOM 558 N LEU A 34 -0.493 -2.460 8.378 1.00 0.00 N ATOM 559 CA LEU A 34 -1.821 -2.562 7.781 1.00 0.00 C ATOM 560 C LEU A 34 -2.452 -3.929 8.033 1.00 0.00 C ATOM 561 O LEU A 34 -3.676 -4.062 8.039 1.00 0.00 O ATOM 562 CB LEU A 34 -1.744 -2.298 6.277 1.00 0.00 C ATOM 563 CG LEU A 34 -0.888 -1.095 5.872 1.00 0.00 C ATOM 564 CD1 LEU A 34 -0.627 -1.106 4.375 1.00 0.00 C ATOM 565 CD2 LEU A 34 -1.564 0.203 6.288 1.00 0.00 C ATOM 0 H LEU A 34 0.268 -2.752 7.765 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.452 -1.809 8.253 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.348 -3.188 5.787 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.755 -2.149 5.898 1.00 0.00 H new ATOM 0 HG LEU A 34 0.070 -1.164 6.387 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.017 -0.244 4.106 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.101 -2.021 4.104 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.576 -1.061 3.840 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.942 1.048 5.993 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.536 0.280 5.800 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -1.699 0.213 7.370 1.00 0.00 H new ATOM 577 N ARG A 35 -1.618 -4.946 8.225 1.00 0.00 N ATOM 578 CA ARG A 35 -2.111 -6.300 8.456 1.00 0.00 C ATOM 579 C ARG A 35 -2.117 -6.662 9.939 1.00 0.00 C ATOM 580 O ARG A 35 -2.145 -7.840 10.293 1.00 0.00 O ATOM 581 CB ARG A 35 -1.262 -7.307 7.681 1.00 0.00 C ATOM 582 CG ARG A 35 -1.242 -7.056 6.183 1.00 0.00 C ATOM 583 CD ARG A 35 -1.224 -8.359 5.399 1.00 0.00 C ATOM 584 NE ARG A 35 -0.876 -8.150 3.996 1.00 0.00 N ATOM 585 CZ ARG A 35 -0.836 -9.124 3.090 1.00 0.00 C ATOM 586 NH1 ARG A 35 -1.129 -10.372 3.433 1.00 0.00 N ATOM 587 NH2 ARG A 35 -0.506 -8.848 1.836 1.00 0.00 N ATOM 0 H ARG A 35 -0.602 -4.860 8.225 1.00 0.00 H new ATOM 0 HA ARG A 35 -3.141 -6.337 8.102 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -0.241 -7.277 8.060 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -1.642 -8.311 7.868 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -2.117 -6.472 5.899 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -0.365 -6.462 5.924 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -0.508 -9.044 5.852 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -2.203 -8.834 5.463 1.00 0.00 H new ATOM 0 HE ARG A 35 -0.651 -7.203 3.693 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -1.387 -10.589 4.396 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -1.097 -11.114 2.734 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -0.283 -7.890 1.566 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -0.475 -9.594 1.141 1.00 0.00 H new ATOM 601 N LYS A 36 -2.099 -5.653 10.806 1.00 0.00 N ATOM 602 CA LYS A 36 -2.110 -5.896 12.246 1.00 0.00 C ATOM 603 C LYS A 36 -3.377 -5.333 12.884 1.00 0.00 C ATOM 604 O LYS A 36 -4.121 -6.060 13.543 1.00 0.00 O ATOM 605 CB LYS A 36 -0.874 -5.277 12.902 1.00 0.00 C ATOM 606 CG LYS A 36 0.217 -6.290 13.220 1.00 0.00 C ATOM 607 CD LYS A 36 0.820 -6.049 14.594 1.00 0.00 C ATOM 608 CE LYS A 36 2.039 -5.143 14.516 1.00 0.00 C ATOM 609 NZ LYS A 36 2.606 -4.853 15.863 1.00 0.00 N ATOM 0 H LYS A 36 -2.077 -4.668 10.540 1.00 0.00 H new ATOM 0 HA LYS A 36 -2.093 -6.974 12.406 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -0.467 -4.512 12.241 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.173 -4.776 13.823 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -0.197 -7.297 13.175 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.999 -6.233 12.463 1.00 0.00 H new ATOM 0 HD2 LYS A 36 0.072 -5.599 15.247 1.00 0.00 H new ATOM 0 HD3 LYS A 36 1.102 -7.002 15.041 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.801 -5.614 13.895 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.765 -4.207 14.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 3.435 -4.233 15.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 1.887 -4.380 16.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 2.892 -5.743 16.318 1.00 0.00 H new ATOM 623 N LYS A 37 -3.615 -4.038 12.673 1.00 0.00 N ATOM 624 CA LYS A 37 -4.795 -3.354 13.214 1.00 0.00 C ATOM 625 C LYS A 37 -4.562 -1.847 13.313 1.00 0.00 C ATOM 626 O LYS A 37 -5.511 -1.068 13.379 1.00 0.00 O ATOM 627 CB LYS A 37 -5.169 -3.893 14.601 1.00 0.00 C ATOM 628 CG LYS A 37 -3.971 -4.109 15.515 1.00 0.00 C ATOM 629 CD LYS A 37 -4.066 -3.263 16.775 1.00 0.00 C ATOM 630 CE LYS A 37 -4.483 -4.098 17.976 1.00 0.00 C ATOM 631 NZ LYS A 37 -4.959 -3.250 19.105 1.00 0.00 N ATOM 0 H LYS A 37 -3.001 -3.435 12.126 1.00 0.00 H new ATOM 0 HA LYS A 37 -5.616 -3.548 12.523 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -5.858 -3.197 15.078 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -5.700 -4.837 14.483 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -3.906 -5.162 15.788 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -3.055 -3.862 14.979 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -3.102 -2.794 16.973 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -4.786 -2.459 16.622 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -5.274 -4.788 17.681 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -3.639 -4.704 18.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -5.234 -3.857 19.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -4.196 -2.609 19.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -5.780 -2.691 18.797 1.00 0.00 H new ATOM 645 N GLU A 38 -3.294 -1.442 13.326 1.00 0.00 N ATOM 646 CA GLU A 38 -2.945 -0.030 13.422 1.00 0.00 C ATOM 647 C GLU A 38 -3.440 0.743 12.199 1.00 0.00 C ATOM 648 O GLU A 38 -2.926 0.563 11.096 1.00 0.00 O ATOM 649 CB GLU A 38 -1.430 0.133 13.558 1.00 0.00 C ATOM 650 CG GLU A 38 -1.014 1.434 14.223 1.00 0.00 C ATOM 651 CD GLU A 38 -1.320 1.454 15.708 1.00 0.00 C ATOM 652 OE1 GLU A 38 -1.000 0.461 16.393 1.00 0.00 O ATOM 653 OE2 GLU A 38 -1.881 2.464 16.185 1.00 0.00 O ATOM 0 H GLU A 38 -2.494 -2.072 13.271 1.00 0.00 H new ATOM 0 HA GLU A 38 -3.432 0.377 14.308 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.034 -0.703 14.135 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.977 0.080 12.568 1.00 0.00 H new ATOM 0 HG2 GLU A 38 0.055 1.588 14.074 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.527 2.265 13.739 1.00 0.00 H new ATOM 660 N PRO A 39 -4.449 1.618 12.376 1.00 0.00 N ATOM 661 CA PRO A 39 -5.001 2.414 11.275 1.00 0.00 C ATOM 662 C PRO A 39 -4.022 3.474 10.782 1.00 0.00 C ATOM 663 O PRO A 39 -3.017 3.757 11.436 1.00 0.00 O ATOM 664 CB PRO A 39 -6.236 3.073 11.895 1.00 0.00 C ATOM 665 CG PRO A 39 -5.944 3.126 13.354 1.00 0.00 C ATOM 666 CD PRO A 39 -5.125 1.902 13.656 1.00 0.00 C ATOM 0 HA PRO A 39 -5.223 1.802 10.401 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -6.399 4.071 11.487 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -7.137 2.495 11.692 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -5.398 4.034 13.610 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -6.865 3.133 13.937 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -4.408 2.086 14.457 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -5.751 1.068 13.973 1.00 0.00 H new ATOM 674 N LEU A 40 -4.319 4.057 9.627 1.00 0.00 N ATOM 675 CA LEU A 40 -3.463 5.086 9.048 1.00 0.00 C ATOM 676 C LEU A 40 -3.948 6.480 9.433 1.00 0.00 C ATOM 677 O LEU A 40 -5.096 6.843 9.173 1.00 0.00 O ATOM 678 CB LEU A 40 -3.423 4.949 7.525 1.00 0.00 C ATOM 679 CG LEU A 40 -3.043 3.559 7.011 1.00 0.00 C ATOM 680 CD1 LEU A 40 -3.627 3.324 5.627 1.00 0.00 C ATOM 681 CD2 LEU A 40 -1.529 3.393 6.991 1.00 0.00 C ATOM 0 H LEU A 40 -5.146 3.835 9.073 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.457 4.950 9.444 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.402 5.212 7.126 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.712 5.674 7.129 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.460 2.815 7.689 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.346 2.330 5.278 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.713 3.399 5.673 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.240 4.074 4.937 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.277 2.399 6.623 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.089 4.145 6.336 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.136 3.517 8.000 1.00 0.00 H new ATOM 693 N ASP A 41 -3.065 7.256 10.052 1.00 0.00 N ATOM 694 CA ASP A 41 -3.403 8.611 10.473 1.00 0.00 C ATOM 695 C ASP A 41 -3.607 9.522 9.266 1.00 0.00 C ATOM 696 O ASP A 41 -3.094 9.251 8.180 1.00 0.00 O ATOM 697 CB ASP A 41 -2.300 9.177 11.371 1.00 0.00 C ATOM 698 CG ASP A 41 -2.256 8.500 12.728 1.00 0.00 C ATOM 699 OD1 ASP A 41 -3.278 8.542 13.445 1.00 0.00 O ATOM 700 OD2 ASP A 41 -1.199 7.929 13.072 1.00 0.00 O ATOM 0 H ASP A 41 -2.111 6.971 10.273 1.00 0.00 H new ATOM 0 HA ASP A 41 -4.336 8.568 11.035 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -1.336 9.058 10.877 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -2.459 10.247 11.507 1.00 0.00 H new ATOM 705 N PRO A 42 -4.361 10.621 9.439 1.00 0.00 N ATOM 706 CA PRO A 42 -4.631 11.574 8.358 1.00 0.00 C ATOM 707 C PRO A 42 -3.393 12.382 7.967 1.00 0.00 C ATOM 708 O PRO A 42 -3.406 13.105 6.972 1.00 0.00 O ATOM 709 CB PRO A 42 -5.702 12.491 8.950 1.00 0.00 C ATOM 710 CG PRO A 42 -5.491 12.418 10.423 1.00 0.00 C ATOM 711 CD PRO A 42 -5.010 11.021 10.703 1.00 0.00 C ATOM 0 HA PRO A 42 -4.940 11.070 7.442 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -5.595 13.512 8.585 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -6.703 12.158 8.677 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -4.758 13.156 10.749 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -6.416 12.628 10.961 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -4.310 10.997 11.539 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -5.835 10.356 10.959 1.00 0.00 H new ATOM 719 N GLN A 43 -2.327 12.253 8.752 1.00 0.00 N ATOM 720 CA GLN A 43 -1.089 12.972 8.480 1.00 0.00 C ATOM 721 C GLN A 43 -0.164 12.165 7.567 1.00 0.00 C ATOM 722 O GLN A 43 1.008 12.504 7.404 1.00 0.00 O ATOM 723 CB GLN A 43 -0.368 13.298 9.789 1.00 0.00 C ATOM 724 CG GLN A 43 -1.219 14.085 10.773 1.00 0.00 C ATOM 725 CD GLN A 43 -0.816 15.544 10.856 1.00 0.00 C ATOM 726 OE1 GLN A 43 -0.533 16.060 11.938 1.00 0.00 O ATOM 727 NE2 GLN A 43 -0.789 16.217 9.712 1.00 0.00 N ATOM 0 H GLN A 43 -2.297 11.658 9.580 1.00 0.00 H new ATOM 0 HA GLN A 43 -1.349 13.899 7.969 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -0.049 12.368 10.260 1.00 0.00 H new ATOM 0 HB3 GLN A 43 0.534 13.867 9.565 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -2.266 14.017 10.477 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -1.137 13.633 11.761 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -1.031 15.749 8.839 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -0.526 17.202 9.706 1.00 0.00 H new ATOM 736 N PHE A 44 -0.694 11.097 6.973 1.00 0.00 N ATOM 737 CA PHE A 44 0.091 10.253 6.081 1.00 0.00 C ATOM 738 C PHE A 44 -0.170 10.602 4.616 1.00 0.00 C ATOM 739 O PHE A 44 0.194 9.847 3.716 1.00 0.00 O ATOM 740 CB PHE A 44 -0.230 8.778 6.328 1.00 0.00 C ATOM 741 CG PHE A 44 0.463 8.206 7.533 1.00 0.00 C ATOM 742 CD1 PHE A 44 0.411 8.859 8.754 1.00 0.00 C ATOM 743 CD2 PHE A 44 1.167 7.016 7.443 1.00 0.00 C ATOM 744 CE1 PHE A 44 1.047 8.335 9.864 1.00 0.00 C ATOM 745 CE2 PHE A 44 1.805 6.486 8.549 1.00 0.00 C ATOM 746 CZ PHE A 44 1.745 7.148 9.761 1.00 0.00 C ATOM 0 H PHE A 44 -1.662 10.798 7.094 1.00 0.00 H new ATOM 0 HA PHE A 44 1.145 10.433 6.293 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -1.307 8.665 6.451 1.00 0.00 H new ATOM 0 HB3 PHE A 44 0.053 8.201 5.448 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -0.133 9.788 8.840 1.00 0.00 H new ATOM 0 HD2 PHE A 44 1.218 6.496 6.498 1.00 0.00 H new ATOM 0 HE1 PHE A 44 0.998 8.853 10.810 1.00 0.00 H new ATOM 0 HE2 PHE A 44 2.349 5.557 8.466 1.00 0.00 H new ATOM 0 HZ PHE A 44 2.244 6.737 10.627 1.00 0.00 H new ATOM 756 N GLN A 45 -0.798 11.754 4.381 1.00 0.00 N ATOM 757 CA GLN A 45 -1.101 12.196 3.024 1.00 0.00 C ATOM 758 C GLN A 45 -1.916 11.147 2.275 1.00 0.00 C ATOM 759 O GLN A 45 -1.742 10.953 1.072 1.00 0.00 O ATOM 760 CB GLN A 45 0.194 12.491 2.262 1.00 0.00 C ATOM 761 CG GLN A 45 1.140 13.416 3.008 1.00 0.00 C ATOM 762 CD GLN A 45 0.591 14.822 3.149 1.00 0.00 C ATOM 763 OE1 GLN A 45 -0.021 15.357 2.224 1.00 0.00 O ATOM 764 NE2 GLN A 45 0.807 15.429 4.309 1.00 0.00 N ATOM 0 H GLN A 45 -1.105 12.395 5.112 1.00 0.00 H new ATOM 0 HA GLN A 45 -1.694 13.108 3.091 1.00 0.00 H new ATOM 0 HB2 GLN A 45 0.706 11.551 2.055 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -0.054 12.938 1.299 1.00 0.00 H new ATOM 0 HG2 GLN A 45 1.337 13.006 3.999 1.00 0.00 H new ATOM 0 HG3 GLN A 45 2.094 13.454 2.483 1.00 0.00 H new ATOM 0 HE21 GLN A 45 1.319 14.948 5.049 1.00 0.00 H new ATOM 0 HE22 GLN A 45 0.461 16.376 4.461 1.00 0.00 H new ATOM 773 N ASP A 46 -2.807 10.472 2.993 1.00 0.00 N ATOM 774 CA ASP A 46 -3.649 9.442 2.397 1.00 0.00 C ATOM 775 C ASP A 46 -4.863 10.061 1.711 1.00 0.00 C ATOM 776 O ASP A 46 -5.910 10.250 2.332 1.00 0.00 O ATOM 777 CB ASP A 46 -4.104 8.444 3.463 1.00 0.00 C ATOM 778 CG ASP A 46 -4.834 9.115 4.610 1.00 0.00 C ATOM 779 OD1 ASP A 46 -4.157 9.657 5.509 1.00 0.00 O ATOM 780 OD2 ASP A 46 -6.082 9.099 4.609 1.00 0.00 O ATOM 0 H ASP A 46 -2.965 10.620 3.990 1.00 0.00 H new ATOM 0 HA ASP A 46 -3.059 8.916 1.646 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -4.757 7.701 3.006 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -3.236 7.910 3.851 1.00 0.00 H new ATOM 785 N HIS A 47 -4.715 10.374 0.428 1.00 0.00 N ATOM 786 CA HIS A 47 -5.800 10.970 -0.343 1.00 0.00 C ATOM 787 C HIS A 47 -5.874 10.359 -1.740 1.00 0.00 C ATOM 788 O HIS A 47 -5.100 9.464 -2.078 1.00 0.00 O ATOM 789 CB HIS A 47 -5.611 12.484 -0.443 1.00 0.00 C ATOM 790 CG HIS A 47 -6.320 13.249 0.630 1.00 0.00 C ATOM 791 ND1 HIS A 47 -7.553 12.882 1.125 1.00 0.00 N ATOM 792 CD2 HIS A 47 -5.962 14.366 1.308 1.00 0.00 C ATOM 793 CE1 HIS A 47 -7.924 13.740 2.059 1.00 0.00 C ATOM 794 NE2 HIS A 47 -6.977 14.649 2.188 1.00 0.00 N ATOM 0 H HIS A 47 -3.855 10.225 -0.100 1.00 0.00 H new ATOM 0 HA HIS A 47 -6.737 10.763 0.174 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -4.546 12.712 -0.397 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -5.968 12.823 -1.415 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -5.049 14.929 1.180 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -8.846 13.703 2.621 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -6.996 15.436 2.837 1.00 0.00 H new ATOM 803 N ALA A 48 -6.809 10.852 -2.546 1.00 0.00 N ATOM 804 CA ALA A 48 -6.983 10.356 -3.905 1.00 0.00 C ATOM 805 C ALA A 48 -5.994 11.011 -4.862 1.00 0.00 C ATOM 806 O ALA A 48 -5.697 12.201 -4.744 1.00 0.00 O ATOM 807 CB ALA A 48 -8.411 10.595 -4.374 1.00 0.00 C ATOM 0 H ALA A 48 -7.457 11.594 -2.281 1.00 0.00 H new ATOM 0 HA ALA A 48 -6.786 9.284 -3.901 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -8.528 10.220 -5.391 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -9.103 10.073 -3.713 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -8.626 11.663 -4.355 1.00 0.00 H new ATOM 813 N LEU A 49 -5.486 10.229 -5.809 1.00 0.00 N ATOM 814 CA LEU A 49 -4.529 10.735 -6.787 1.00 0.00 C ATOM 815 C LEU A 49 -5.248 11.417 -7.945 1.00 0.00 C ATOM 816 O LEU A 49 -6.462 11.616 -7.906 1.00 0.00 O ATOM 817 CB LEU A 49 -3.655 9.595 -7.313 1.00 0.00 C ATOM 818 CG LEU A 49 -3.024 8.712 -6.236 1.00 0.00 C ATOM 819 CD1 LEU A 49 -2.531 7.405 -6.837 1.00 0.00 C ATOM 820 CD2 LEU A 49 -1.883 9.447 -5.547 1.00 0.00 C ATOM 0 H LEU A 49 -5.721 9.243 -5.920 1.00 0.00 H new ATOM 0 HA LEU A 49 -3.894 11.470 -6.293 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -4.259 8.967 -7.968 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.859 10.020 -7.924 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.785 8.481 -5.491 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.085 6.790 -6.055 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.369 6.871 -7.285 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.784 7.615 -7.603 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.445 8.804 -4.783 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -1.122 9.708 -6.282 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -2.264 10.356 -5.081 1.00 0.00 H new ATOM 832 N LYS A 50 -4.490 11.777 -8.976 1.00 0.00 N ATOM 833 CA LYS A 50 -5.055 12.441 -10.146 1.00 0.00 C ATOM 834 C LYS A 50 -4.891 11.580 -11.395 1.00 0.00 C ATOM 835 O LYS A 50 -4.091 10.644 -11.414 1.00 0.00 O ATOM 836 CB LYS A 50 -4.388 13.801 -10.360 1.00 0.00 C ATOM 837 CG LYS A 50 -4.403 14.686 -9.124 1.00 0.00 C ATOM 838 CD LYS A 50 -5.817 15.110 -8.761 1.00 0.00 C ATOM 839 CE LYS A 50 -5.926 15.488 -7.293 1.00 0.00 C ATOM 840 NZ LYS A 50 -7.108 16.354 -7.028 1.00 0.00 N ATOM 0 H LYS A 50 -3.483 11.620 -9.025 1.00 0.00 H new ATOM 0 HA LYS A 50 -6.120 12.590 -9.967 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -3.356 13.645 -10.673 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -4.893 14.320 -11.175 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -3.956 14.151 -8.286 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -3.791 15.570 -9.301 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -6.114 15.957 -9.379 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -6.509 14.297 -8.981 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -5.997 14.583 -6.690 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -5.019 16.007 -6.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -7.146 16.589 -6.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -7.029 17.229 -7.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -7.976 15.849 -7.299 1.00 0.00 H new ATOM 854 N GLY A 51 -5.654 11.903 -12.433 1.00 0.00 N ATOM 855 CA GLY A 51 -5.577 11.152 -13.671 1.00 0.00 C ATOM 856 C GLY A 51 -6.294 9.819 -13.587 1.00 0.00 C ATOM 857 O GLY A 51 -7.406 9.735 -13.062 1.00 0.00 O ATOM 0 H GLY A 51 -6.324 12.672 -12.439 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -6.009 11.743 -14.478 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -4.531 10.983 -13.925 1.00 0.00 H new ATOM 861 N LYS A 52 -5.658 8.774 -14.106 1.00 0.00 N ATOM 862 CA LYS A 52 -6.240 7.436 -14.089 1.00 0.00 C ATOM 863 C LYS A 52 -6.340 6.894 -12.663 1.00 0.00 C ATOM 864 O LYS A 52 -7.086 5.950 -12.403 1.00 0.00 O ATOM 865 CB LYS A 52 -5.405 6.486 -14.949 1.00 0.00 C ATOM 866 CG LYS A 52 -5.297 6.918 -16.403 1.00 0.00 C ATOM 867 CD LYS A 52 -6.618 6.749 -17.135 1.00 0.00 C ATOM 868 CE LYS A 52 -7.342 8.076 -17.293 1.00 0.00 C ATOM 869 NZ LYS A 52 -8.812 7.934 -17.095 1.00 0.00 N ATOM 0 H LYS A 52 -4.738 8.828 -14.544 1.00 0.00 H new ATOM 0 HA LYS A 52 -7.247 7.503 -14.500 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -4.403 6.411 -14.525 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -5.844 5.489 -14.906 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -4.984 7.961 -16.451 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -4.526 6.331 -16.902 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -6.437 6.313 -18.117 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -7.251 6.051 -16.588 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -6.946 8.793 -16.574 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -7.147 8.480 -18.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -9.269 8.861 -17.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -9.194 7.269 -17.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -9.000 7.573 -16.138 1.00 0.00 H new ATOM 883 N TRP A 53 -5.584 7.491 -11.746 1.00 0.00 N ATOM 884 CA TRP A 53 -5.593 7.057 -10.354 1.00 0.00 C ATOM 885 C TRP A 53 -6.540 7.913 -9.516 1.00 0.00 C ATOM 886 O TRP A 53 -6.302 8.137 -8.330 1.00 0.00 O ATOM 887 CB TRP A 53 -4.181 7.123 -9.768 1.00 0.00 C ATOM 888 CG TRP A 53 -3.199 6.245 -10.480 1.00 0.00 C ATOM 889 CD1 TRP A 53 -3.287 4.895 -10.660 1.00 0.00 C ATOM 890 CD2 TRP A 53 -1.980 6.657 -11.109 1.00 0.00 C ATOM 891 NE1 TRP A 53 -2.197 4.440 -11.360 1.00 0.00 N ATOM 892 CE2 TRP A 53 -1.378 5.503 -11.648 1.00 0.00 C ATOM 893 CE3 TRP A 53 -1.337 7.886 -11.268 1.00 0.00 C ATOM 894 CZ2 TRP A 53 -0.168 5.546 -12.335 1.00 0.00 C ATOM 895 CZ3 TRP A 53 -0.135 7.928 -11.948 1.00 0.00 C ATOM 896 CH2 TRP A 53 0.437 6.764 -12.475 1.00 0.00 C ATOM 0 H TRP A 53 -4.960 8.274 -11.941 1.00 0.00 H new ATOM 0 HA TRP A 53 -5.946 6.026 -10.328 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -3.828 8.154 -9.805 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -4.218 6.836 -8.717 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -4.096 4.275 -10.304 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -2.024 3.470 -11.623 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -1.772 8.789 -10.866 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 0.277 4.650 -12.742 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 0.371 8.874 -12.075 1.00 0.00 H new ATOM 0 HH2 TRP A 53 1.377 6.830 -13.004 1.00 0.00 H new ATOM 907 N LYS A 54 -7.614 8.388 -10.140 1.00 0.00 N ATOM 908 CA LYS A 54 -8.593 9.216 -9.446 1.00 0.00 C ATOM 909 C LYS A 54 -9.540 8.356 -8.610 1.00 0.00 C ATOM 910 O LYS A 54 -9.732 8.609 -7.422 1.00 0.00 O ATOM 911 CB LYS A 54 -9.387 10.060 -10.446 1.00 0.00 C ATOM 912 CG LYS A 54 -9.093 11.549 -10.354 1.00 0.00 C ATOM 913 CD LYS A 54 -9.138 12.210 -11.721 1.00 0.00 C ATOM 914 CE LYS A 54 -9.469 13.690 -11.613 1.00 0.00 C ATOM 915 NZ LYS A 54 -10.158 14.196 -12.832 1.00 0.00 N ATOM 0 H LYS A 54 -7.827 8.214 -11.122 1.00 0.00 H new ATOM 0 HA LYS A 54 -8.054 9.884 -8.774 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -9.165 9.716 -11.456 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -10.452 9.898 -10.281 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -9.819 12.024 -9.695 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -8.110 11.700 -9.908 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -8.176 12.087 -12.218 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -9.884 11.714 -12.342 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -10.103 13.858 -10.742 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -8.551 14.256 -11.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -10.366 15.209 -12.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -9.543 14.060 -13.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -11.046 13.673 -12.971 1.00 0.00 H new ATOM 929 N PRO A 55 -10.144 7.321 -9.221 1.00 0.00 N ATOM 930 CA PRO A 55 -11.068 6.424 -8.522 1.00 0.00 C ATOM 931 C PRO A 55 -10.380 5.643 -7.402 1.00 0.00 C ATOM 932 O PRO A 55 -11.043 5.010 -6.580 1.00 0.00 O ATOM 933 CB PRO A 55 -11.554 5.465 -9.617 1.00 0.00 C ATOM 934 CG PRO A 55 -11.207 6.129 -10.906 1.00 0.00 C ATOM 935 CD PRO A 55 -9.976 6.939 -10.632 1.00 0.00 C ATOM 0 HA PRO A 55 -11.874 6.976 -8.039 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -11.068 4.493 -9.532 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -12.628 5.292 -9.540 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -11.024 5.392 -11.688 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -12.023 6.764 -11.251 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -9.067 6.358 -10.788 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -9.913 7.811 -11.282 1.00 0.00 H new ATOM 943 N PHE A 56 -9.051 5.689 -7.376 1.00 0.00 N ATOM 944 CA PHE A 56 -8.282 4.983 -6.358 1.00 0.00 C ATOM 945 C PHE A 56 -7.732 5.954 -5.318 1.00 0.00 C ATOM 946 O PHE A 56 -7.825 7.171 -5.480 1.00 0.00 O ATOM 947 CB PHE A 56 -7.133 4.204 -7.001 1.00 0.00 C ATOM 948 CG PHE A 56 -7.581 3.225 -8.048 1.00 0.00 C ATOM 949 CD1 PHE A 56 -8.228 2.053 -7.690 1.00 0.00 C ATOM 950 CD2 PHE A 56 -7.355 3.476 -9.392 1.00 0.00 C ATOM 951 CE1 PHE A 56 -8.642 1.151 -8.651 1.00 0.00 C ATOM 952 CE2 PHE A 56 -7.766 2.578 -10.359 1.00 0.00 C ATOM 953 CZ PHE A 56 -8.410 1.413 -9.988 1.00 0.00 C ATOM 0 H PHE A 56 -8.485 6.208 -8.048 1.00 0.00 H new ATOM 0 HA PHE A 56 -8.951 4.283 -5.858 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -6.434 4.909 -7.451 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -6.589 3.668 -6.223 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -8.411 1.842 -6.647 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -6.851 4.385 -9.688 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -9.146 0.242 -8.358 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -7.584 2.787 -11.403 1.00 0.00 H new ATOM 0 HZ PHE A 56 -8.731 0.709 -10.741 1.00 0.00 H new ATOM 963 N ARG A 57 -7.157 5.407 -4.252 1.00 0.00 N ATOM 964 CA ARG A 57 -6.588 6.222 -3.185 1.00 0.00 C ATOM 965 C ARG A 57 -5.135 5.840 -2.927 1.00 0.00 C ATOM 966 O ARG A 57 -4.722 4.712 -3.198 1.00 0.00 O ATOM 967 CB ARG A 57 -7.406 6.062 -1.902 1.00 0.00 C ATOM 968 CG ARG A 57 -7.128 7.141 -0.866 1.00 0.00 C ATOM 969 CD ARG A 57 -8.415 7.734 -0.317 1.00 0.00 C ATOM 970 NE ARG A 57 -8.947 6.956 0.798 1.00 0.00 N ATOM 971 CZ ARG A 57 -8.379 6.901 2.001 1.00 0.00 C ATOM 972 NH1 ARG A 57 -7.265 7.578 2.248 1.00 0.00 N ATOM 973 NH2 ARG A 57 -8.928 6.166 2.960 1.00 0.00 N ATOM 0 H ARG A 57 -7.073 4.401 -4.104 1.00 0.00 H new ATOM 0 HA ARG A 57 -6.620 7.265 -3.500 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -8.467 6.075 -2.153 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -7.194 5.086 -1.465 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -6.543 6.719 -0.048 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -6.525 7.931 -1.315 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -8.231 8.757 0.011 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -9.159 7.783 -1.112 1.00 0.00 H new ATOM 0 HE ARG A 57 -9.804 6.424 0.647 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -6.839 8.144 1.514 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -6.834 7.532 3.172 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -9.784 5.644 2.775 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -8.493 6.123 3.882 1.00 0.00 H new ATOM 987 N GLU A 58 -4.362 6.785 -2.404 1.00 0.00 N ATOM 988 CA GLU A 58 -2.954 6.545 -2.111 1.00 0.00 C ATOM 989 C GLU A 58 -2.673 6.687 -0.619 1.00 0.00 C ATOM 990 O GLU A 58 -3.466 7.272 0.118 1.00 0.00 O ATOM 991 CB GLU A 58 -2.074 7.516 -2.901 1.00 0.00 C ATOM 992 CG GLU A 58 -0.738 6.925 -3.324 1.00 0.00 C ATOM 993 CD GLU A 58 0.425 7.856 -3.050 1.00 0.00 C ATOM 994 OE1 GLU A 58 0.694 8.734 -3.897 1.00 0.00 O ATOM 995 OE2 GLU A 58 1.068 7.708 -1.989 1.00 0.00 O ATOM 0 H GLU A 58 -4.687 7.724 -2.174 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.718 5.524 -2.410 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -2.615 7.842 -3.790 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -1.893 8.404 -2.295 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -0.578 5.985 -2.796 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -0.769 6.692 -4.388 1.00 0.00 H new ATOM 1002 N CYS A 59 -1.540 6.146 -0.182 1.00 0.00 N ATOM 1003 CA CYS A 59 -1.153 6.212 1.222 1.00 0.00 C ATOM 1004 C CYS A 59 0.365 6.210 1.366 1.00 0.00 C ATOM 1005 O CYS A 59 1.071 5.565 0.591 1.00 0.00 O ATOM 1006 CB CYS A 59 -1.751 5.035 1.993 1.00 0.00 C ATOM 1007 SG CYS A 59 -1.524 5.135 3.783 1.00 0.00 S ATOM 0 H CYS A 59 -0.874 5.657 -0.780 1.00 0.00 H new ATOM 0 HA CYS A 59 -1.539 7.143 1.637 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -2.817 4.976 1.775 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -1.300 4.111 1.631 1.00 0.00 H new ATOM 0 HG CYS A 59 -0.850 4.102 4.193 1.00 0.00 H new ATOM 1013 N HIS A 60 0.862 6.935 2.364 1.00 0.00 N ATOM 1014 CA HIS A 60 2.298 7.016 2.608 1.00 0.00 C ATOM 1015 C HIS A 60 2.655 6.419 3.966 1.00 0.00 C ATOM 1016 O HIS A 60 2.729 7.132 4.966 1.00 0.00 O ATOM 1017 CB HIS A 60 2.768 8.470 2.542 1.00 0.00 C ATOM 1018 CG HIS A 60 2.547 9.114 1.209 1.00 0.00 C ATOM 1019 ND1 HIS A 60 3.495 9.901 0.586 1.00 0.00 N ATOM 1020 CD2 HIS A 60 1.479 9.085 0.375 1.00 0.00 C ATOM 1021 CE1 HIS A 60 3.017 10.328 -0.570 1.00 0.00 C ATOM 1022 NE2 HIS A 60 1.798 9.847 -0.721 1.00 0.00 N ATOM 0 H HIS A 60 0.292 7.474 3.016 1.00 0.00 H new ATOM 0 HA HIS A 60 2.804 6.441 1.832 1.00 0.00 H new ATOM 0 HB2 HIS A 60 2.245 9.046 3.305 1.00 0.00 H new ATOM 0 HB3 HIS A 60 3.830 8.511 2.784 1.00 0.00 H new ATOM 0 HD2 HIS A 60 0.550 8.560 0.542 1.00 0.00 H new ATOM 0 HE1 HIS A 60 3.537 10.963 -1.272 1.00 0.00 H new ATOM 0 HE2 HIS A 60 1.190 10.014 -1.523 1.00 0.00 H new ATOM 1031 N ILE A 61 2.883 5.109 3.993 1.00 0.00 N ATOM 1032 CA ILE A 61 3.241 4.424 5.229 1.00 0.00 C ATOM 1033 C ILE A 61 4.535 4.994 5.805 1.00 0.00 C ATOM 1034 O ILE A 61 4.750 4.976 7.016 1.00 0.00 O ATOM 1035 CB ILE A 61 3.399 2.903 5.006 1.00 0.00 C ATOM 1036 CG1 ILE A 61 2.090 2.304 4.486 1.00 0.00 C ATOM 1037 CG2 ILE A 61 3.823 2.213 6.296 1.00 0.00 C ATOM 1038 CD1 ILE A 61 1.985 2.287 2.976 1.00 0.00 C ATOM 0 H ILE A 61 2.826 4.503 3.175 1.00 0.00 H new ATOM 0 HA ILE A 61 2.429 4.587 5.938 1.00 0.00 H new ATOM 0 HB ILE A 61 4.177 2.743 4.260 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.994 1.284 4.859 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.254 2.873 4.893 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.929 1.143 6.118 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.777 2.621 6.631 1.00 0.00 H new ATOM 0 HG23 ILE A 61 3.067 2.380 7.063 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.031 1.849 2.683 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.048 3.306 2.595 1.00 0.00 H new ATOM 0 HD13 ILE A 61 2.800 1.694 2.561 1.00 0.00 H new ATOM 1050 N LYS A 62 5.387 5.509 4.924 1.00 0.00 N ATOM 1051 CA LYS A 62 6.656 6.097 5.335 1.00 0.00 C ATOM 1052 C LYS A 62 7.194 7.018 4.240 1.00 0.00 C ATOM 1053 O LYS A 62 6.664 7.043 3.129 1.00 0.00 O ATOM 1054 CB LYS A 62 7.674 5.000 5.661 1.00 0.00 C ATOM 1055 CG LYS A 62 7.870 3.990 4.543 1.00 0.00 C ATOM 1056 CD LYS A 62 8.786 2.856 4.976 1.00 0.00 C ATOM 1057 CE LYS A 62 10.214 3.339 5.183 1.00 0.00 C ATOM 1058 NZ LYS A 62 11.095 2.980 4.038 1.00 0.00 N ATOM 0 H LYS A 62 5.220 5.531 3.918 1.00 0.00 H new ATOM 0 HA LYS A 62 6.489 6.689 6.235 1.00 0.00 H new ATOM 0 HB2 LYS A 62 8.633 5.464 5.890 1.00 0.00 H new ATOM 0 HB3 LYS A 62 7.352 4.474 6.560 1.00 0.00 H new ATOM 0 HG2 LYS A 62 6.904 3.585 4.243 1.00 0.00 H new ATOM 0 HG3 LYS A 62 8.292 4.488 3.670 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.412 2.418 5.901 1.00 0.00 H new ATOM 0 HD3 LYS A 62 8.773 2.069 4.222 1.00 0.00 H new ATOM 0 HE2 LYS A 62 10.215 4.421 5.316 1.00 0.00 H new ATOM 0 HE3 LYS A 62 10.615 2.905 6.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 11.724 2.200 4.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 10.511 2.683 3.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 11.666 3.806 3.767 1.00 0.00 H new ATOM 1072 N PRO A 63 8.244 7.803 4.540 1.00 0.00 N ATOM 1073 CA PRO A 63 8.836 8.740 3.575 1.00 0.00 C ATOM 1074 C PRO A 63 9.542 8.052 2.405 1.00 0.00 C ATOM 1075 O PRO A 63 10.174 8.716 1.582 1.00 0.00 O ATOM 1076 CB PRO A 63 9.850 9.538 4.409 1.00 0.00 C ATOM 1077 CG PRO A 63 9.521 9.238 5.835 1.00 0.00 C ATOM 1078 CD PRO A 63 8.927 7.861 5.839 1.00 0.00 C ATOM 0 HA PRO A 63 8.063 9.351 3.108 1.00 0.00 H new ATOM 0 HB2 PRO A 63 10.872 9.242 4.172 1.00 0.00 H new ATOM 0 HB3 PRO A 63 9.772 10.606 4.205 1.00 0.00 H new ATOM 0 HG2 PRO A 63 10.414 9.280 6.459 1.00 0.00 H new ATOM 0 HG3 PRO A 63 8.818 9.968 6.235 1.00 0.00 H new ATOM 0 HD2 PRO A 63 9.692 7.090 5.930 1.00 0.00 H new ATOM 0 HD3 PRO A 63 8.234 7.721 6.668 1.00 0.00 H new ATOM 1086 N ASP A 64 9.439 6.729 2.330 1.00 0.00 N ATOM 1087 CA ASP A 64 10.076 5.981 1.252 1.00 0.00 C ATOM 1088 C ASP A 64 9.174 4.856 0.748 1.00 0.00 C ATOM 1089 O ASP A 64 9.658 3.855 0.220 1.00 0.00 O ATOM 1090 CB ASP A 64 11.412 5.403 1.726 1.00 0.00 C ATOM 1091 CG ASP A 64 12.498 5.523 0.676 1.00 0.00 C ATOM 1092 OD1 ASP A 64 13.050 6.633 0.516 1.00 0.00 O ATOM 1093 OD2 ASP A 64 12.797 4.509 0.012 1.00 0.00 O ATOM 0 H ASP A 64 8.924 6.156 2.998 1.00 0.00 H new ATOM 0 HA ASP A 64 10.253 6.671 0.427 1.00 0.00 H new ATOM 0 HB2 ASP A 64 11.728 5.920 2.632 1.00 0.00 H new ATOM 0 HB3 ASP A 64 11.278 4.354 1.988 1.00 0.00 H new ATOM 1098 N VAL A 65 7.865 5.025 0.910 1.00 0.00 N ATOM 1099 CA VAL A 65 6.906 4.018 0.466 1.00 0.00 C ATOM 1100 C VAL A 65 5.536 4.631 0.197 1.00 0.00 C ATOM 1101 O VAL A 65 5.143 5.607 0.836 1.00 0.00 O ATOM 1102 CB VAL A 65 6.754 2.889 1.503 1.00 0.00 C ATOM 1103 CG1 VAL A 65 5.810 1.810 0.991 1.00 0.00 C ATOM 1104 CG2 VAL A 65 8.108 2.294 1.849 1.00 0.00 C ATOM 0 H VAL A 65 7.445 5.847 1.344 1.00 0.00 H new ATOM 0 HA VAL A 65 7.300 3.602 -0.461 1.00 0.00 H new ATOM 0 HB VAL A 65 6.325 3.315 2.410 1.00 0.00 H new ATOM 0 HG11 VAL A 65 5.717 1.023 1.739 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.829 2.246 0.799 1.00 0.00 H new ATOM 0 HG13 VAL A 65 6.206 1.388 0.067 1.00 0.00 H new ATOM 0 HG21 VAL A 65 7.979 1.498 2.583 1.00 0.00 H new ATOM 0 HG22 VAL A 65 8.567 1.886 0.948 1.00 0.00 H new ATOM 0 HG23 VAL A 65 8.751 3.070 2.264 1.00 0.00 H new ATOM 1114 N LEU A 66 4.812 4.042 -0.750 1.00 0.00 N ATOM 1115 CA LEU A 66 3.479 4.516 -1.109 1.00 0.00 C ATOM 1116 C LEU A 66 2.587 3.350 -1.526 1.00 0.00 C ATOM 1117 O LEU A 66 2.866 2.666 -2.511 1.00 0.00 O ATOM 1118 CB LEU A 66 3.560 5.539 -2.245 1.00 0.00 C ATOM 1119 CG LEU A 66 4.789 6.449 -2.213 1.00 0.00 C ATOM 1120 CD1 LEU A 66 4.972 7.145 -3.553 1.00 0.00 C ATOM 1121 CD2 LEU A 66 4.665 7.469 -1.092 1.00 0.00 C ATOM 0 H LEU A 66 5.127 3.233 -1.285 1.00 0.00 H new ATOM 0 HA LEU A 66 3.044 4.995 -0.232 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.547 5.005 -3.195 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.666 6.161 -2.217 1.00 0.00 H new ATOM 0 HG LEU A 66 5.669 5.835 -2.023 1.00 0.00 H new ATOM 0 HD11 LEU A 66 5.851 7.788 -3.512 1.00 0.00 H new ATOM 0 HD12 LEU A 66 5.105 6.398 -4.336 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.091 7.748 -3.773 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.548 8.109 -1.083 1.00 0.00 H new ATOM 0 HD22 LEU A 66 3.776 8.079 -1.252 1.00 0.00 H new ATOM 0 HD23 LEU A 66 4.582 6.951 -0.136 1.00 0.00 H new ATOM 1133 N LEU A 67 1.516 3.126 -0.772 1.00 0.00 N ATOM 1134 CA LEU A 67 0.590 2.038 -1.069 1.00 0.00 C ATOM 1135 C LEU A 67 -0.722 2.570 -1.635 1.00 0.00 C ATOM 1136 O LEU A 67 -1.327 3.485 -1.076 1.00 0.00 O ATOM 1137 CB LEU A 67 0.314 1.209 0.194 1.00 0.00 C ATOM 1138 CG LEU A 67 -0.814 0.172 0.076 1.00 0.00 C ATOM 1139 CD1 LEU A 67 -2.176 0.837 0.194 1.00 0.00 C ATOM 1140 CD2 LEU A 67 -0.704 -0.600 -1.234 1.00 0.00 C ATOM 0 H LEU A 67 1.268 3.681 0.047 1.00 0.00 H new ATOM 0 HA LEU A 67 1.056 1.401 -1.821 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.231 0.691 0.474 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.072 1.891 1.009 1.00 0.00 H new ATOM 0 HG LEU A 67 -0.709 -0.535 0.899 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.958 0.083 0.107 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.256 1.333 1.161 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.292 1.573 -0.602 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.512 -1.328 -1.296 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.775 0.093 -2.072 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.254 -1.118 -1.272 1.00 0.00 H new ATOM 1152 N VAL A 68 -1.165 1.971 -2.733 1.00 0.00 N ATOM 1153 CA VAL A 68 -2.417 2.361 -3.364 1.00 0.00 C ATOM 1154 C VAL A 68 -3.484 1.312 -3.085 1.00 0.00 C ATOM 1155 O VAL A 68 -3.337 0.148 -3.458 1.00 0.00 O ATOM 1156 CB VAL A 68 -2.252 2.540 -4.889 1.00 0.00 C ATOM 1157 CG1 VAL A 68 -3.596 2.796 -5.557 1.00 0.00 C ATOM 1158 CG2 VAL A 68 -1.282 3.673 -5.182 1.00 0.00 C ATOM 0 H VAL A 68 -0.674 1.212 -3.205 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.720 3.319 -2.942 1.00 0.00 H new ATOM 0 HB VAL A 68 -1.845 1.617 -5.301 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -3.451 2.918 -6.630 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.260 1.951 -5.374 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.040 3.702 -5.145 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -1.174 3.790 -6.260 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -1.664 4.599 -4.753 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.311 3.444 -4.743 1.00 0.00 H new ATOM 1168 N TYR A 69 -4.551 1.723 -2.410 1.00 0.00 N ATOM 1169 CA TYR A 69 -5.632 0.806 -2.070 1.00 0.00 C ATOM 1170 C TYR A 69 -6.998 1.413 -2.380 1.00 0.00 C ATOM 1171 O TYR A 69 -7.091 2.537 -2.875 1.00 0.00 O ATOM 1172 CB TYR A 69 -5.546 0.406 -0.590 1.00 0.00 C ATOM 1173 CG TYR A 69 -5.419 1.566 0.381 1.00 0.00 C ATOM 1174 CD1 TYR A 69 -5.769 2.867 0.022 1.00 0.00 C ATOM 1175 CD2 TYR A 69 -4.952 1.353 1.672 1.00 0.00 C ATOM 1176 CE1 TYR A 69 -5.651 3.912 0.919 1.00 0.00 C ATOM 1177 CE2 TYR A 69 -4.833 2.393 2.573 1.00 0.00 C ATOM 1178 CZ TYR A 69 -5.184 3.670 2.192 1.00 0.00 C ATOM 1179 OH TYR A 69 -5.070 4.709 3.088 1.00 0.00 O ATOM 0 H TYR A 69 -4.691 2.681 -2.089 1.00 0.00 H new ATOM 0 HA TYR A 69 -5.519 -0.087 -2.685 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -6.436 -0.169 -0.332 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -4.690 -0.255 -0.457 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -6.139 3.062 -0.974 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -4.677 0.354 1.977 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -5.924 4.914 0.623 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -4.467 2.206 3.572 1.00 0.00 H new ATOM 0 HH TYR A 69 -5.502 4.462 3.932 1.00 0.00 H new ATOM 1189 N LEU A 70 -8.054 0.661 -2.091 1.00 0.00 N ATOM 1190 CA LEU A 70 -9.416 1.125 -2.340 1.00 0.00 C ATOM 1191 C LEU A 70 -10.258 1.041 -1.071 1.00 0.00 C ATOM 1192 O LEU A 70 -9.840 0.451 -0.075 1.00 0.00 O ATOM 1193 CB LEU A 70 -10.062 0.298 -3.454 1.00 0.00 C ATOM 1194 CG LEU A 70 -10.986 1.081 -4.390 1.00 0.00 C ATOM 1195 CD1 LEU A 70 -10.255 2.281 -4.978 1.00 0.00 C ATOM 1196 CD2 LEU A 70 -11.511 0.178 -5.495 1.00 0.00 C ATOM 0 H LEU A 70 -7.994 -0.272 -1.684 1.00 0.00 H new ATOM 0 HA LEU A 70 -9.369 2.168 -2.654 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -9.273 -0.162 -4.049 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -10.632 -0.512 -3.000 1.00 0.00 H new ATOM 0 HG LEU A 70 -11.836 1.446 -3.813 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -10.926 2.827 -5.641 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -9.927 2.938 -4.172 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -9.388 1.938 -5.542 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -12.166 0.750 -6.152 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -10.674 -0.216 -6.071 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -12.070 -0.648 -5.055 1.00 0.00 H new ATOM 1208 N VAL A 71 -11.446 1.637 -1.114 1.00 0.00 N ATOM 1209 CA VAL A 71 -12.345 1.629 0.032 1.00 0.00 C ATOM 1210 C VAL A 71 -13.679 0.981 -0.317 1.00 0.00 C ATOM 1211 O VAL A 71 -14.546 1.609 -0.924 1.00 0.00 O ATOM 1212 CB VAL A 71 -12.603 3.055 0.555 1.00 0.00 C ATOM 1213 CG1 VAL A 71 -13.379 3.014 1.863 1.00 0.00 C ATOM 1214 CG2 VAL A 71 -11.290 3.807 0.727 1.00 0.00 C ATOM 0 H VAL A 71 -11.807 2.131 -1.930 1.00 0.00 H new ATOM 0 HA VAL A 71 -11.854 1.046 0.811 1.00 0.00 H new ATOM 0 HB VAL A 71 -13.206 3.588 -0.180 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -13.551 4.031 2.216 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -14.337 2.519 1.703 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -12.806 2.463 2.609 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -11.492 4.812 1.097 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -10.658 3.278 1.441 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -10.778 3.870 -0.233 1.00 0.00 H new ATOM 1224 N LYS A 72 -13.838 -0.278 0.076 1.00 0.00 N ATOM 1225 CA LYS A 72 -15.068 -1.014 -0.193 1.00 0.00 C ATOM 1226 C LYS A 72 -16.180 -0.562 0.750 1.00 0.00 C ATOM 1227 O LYS A 72 -15.918 0.079 1.768 1.00 0.00 O ATOM 1228 CB LYS A 72 -14.828 -2.519 -0.046 1.00 0.00 C ATOM 1229 CG LYS A 72 -14.985 -3.290 -1.346 1.00 0.00 C ATOM 1230 CD LYS A 72 -13.651 -3.467 -2.055 1.00 0.00 C ATOM 1231 CE LYS A 72 -13.523 -2.532 -3.247 1.00 0.00 C ATOM 1232 NZ LYS A 72 -13.717 -3.247 -4.539 1.00 0.00 N ATOM 0 H LYS A 72 -13.130 -0.810 0.582 1.00 0.00 H new ATOM 0 HA LYS A 72 -15.378 -0.806 -1.217 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -13.823 -2.682 0.344 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -15.525 -2.919 0.691 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -15.421 -4.268 -1.140 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -15.679 -2.763 -2.001 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -12.838 -3.278 -1.354 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -13.550 -4.500 -2.389 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -14.258 -1.732 -3.161 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -12.539 -2.063 -3.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -13.622 -2.574 -5.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -13.000 -3.994 -4.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -14.665 -3.673 -4.561 1.00 0.00 H new ATOM 1246 N ASP A 73 -17.421 -0.896 0.402 1.00 0.00 N ATOM 1247 CA ASP A 73 -18.581 -0.523 1.213 1.00 0.00 C ATOM 1248 C ASP A 73 -18.314 -0.739 2.700 1.00 0.00 C ATOM 1249 O ASP A 73 -18.757 0.044 3.541 1.00 0.00 O ATOM 1250 CB ASP A 73 -19.807 -1.330 0.783 1.00 0.00 C ATOM 1251 CG ASP A 73 -20.255 -0.993 -0.626 1.00 0.00 C ATOM 1252 OD1 ASP A 73 -19.380 -0.801 -1.497 1.00 0.00 O ATOM 1253 OD2 ASP A 73 -21.480 -0.926 -0.860 1.00 0.00 O ATOM 0 H ASP A 73 -17.651 -1.426 -0.439 1.00 0.00 H new ATOM 0 HA ASP A 73 -18.772 0.538 1.053 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -19.578 -2.394 0.844 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -20.626 -1.140 1.477 1.00 0.00 H new ATOM 1258 N ASP A 74 -17.586 -1.804 3.016 1.00 0.00 N ATOM 1259 CA ASP A 74 -17.259 -2.123 4.401 1.00 0.00 C ATOM 1260 C ASP A 74 -15.970 -2.936 4.481 1.00 0.00 C ATOM 1261 O ASP A 74 -15.760 -3.691 5.429 1.00 0.00 O ATOM 1262 CB ASP A 74 -18.405 -2.900 5.051 1.00 0.00 C ATOM 1263 CG ASP A 74 -18.805 -4.120 4.245 1.00 0.00 C ATOM 1264 OD1 ASP A 74 -18.225 -5.201 4.476 1.00 0.00 O ATOM 1265 OD2 ASP A 74 -19.700 -3.994 3.382 1.00 0.00 O ATOM 0 H ASP A 74 -17.211 -2.461 2.332 1.00 0.00 H new ATOM 0 HA ASP A 74 -17.112 -1.186 4.939 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -18.108 -3.211 6.053 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -19.268 -2.243 5.164 1.00 0.00 H new ATOM 1270 N GLU A 75 -15.113 -2.778 3.477 1.00 0.00 N ATOM 1271 CA GLU A 75 -13.846 -3.501 3.431 1.00 0.00 C ATOM 1272 C GLU A 75 -12.779 -2.683 2.709 1.00 0.00 C ATOM 1273 O GLU A 75 -13.068 -1.628 2.145 1.00 0.00 O ATOM 1274 CB GLU A 75 -14.030 -4.846 2.724 1.00 0.00 C ATOM 1275 CG GLU A 75 -14.963 -5.800 3.451 1.00 0.00 C ATOM 1276 CD GLU A 75 -15.375 -6.981 2.594 1.00 0.00 C ATOM 1277 OE1 GLU A 75 -14.704 -7.236 1.572 1.00 0.00 O ATOM 1278 OE2 GLU A 75 -16.367 -7.654 2.946 1.00 0.00 O ATOM 0 H GLU A 75 -15.272 -2.156 2.684 1.00 0.00 H new ATOM 0 HA GLU A 75 -13.518 -3.674 4.456 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -14.417 -4.668 1.721 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -13.056 -5.322 2.610 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -14.472 -6.165 4.353 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -15.854 -5.259 3.769 1.00 0.00 H new ATOM 1285 N LEU A 76 -11.549 -3.182 2.725 1.00 0.00 N ATOM 1286 CA LEU A 76 -10.438 -2.504 2.065 1.00 0.00 C ATOM 1287 C LEU A 76 -9.697 -3.466 1.144 1.00 0.00 C ATOM 1288 O LEU A 76 -9.570 -4.653 1.444 1.00 0.00 O ATOM 1289 CB LEU A 76 -9.472 -1.921 3.098 1.00 0.00 C ATOM 1290 CG LEU A 76 -8.549 -0.817 2.570 1.00 0.00 C ATOM 1291 CD1 LEU A 76 -8.830 0.502 3.273 1.00 0.00 C ATOM 1292 CD2 LEU A 76 -7.090 -1.215 2.737 1.00 0.00 C ATOM 0 H LEU A 76 -11.295 -4.055 3.188 1.00 0.00 H new ATOM 0 HA LEU A 76 -10.845 -1.688 1.468 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -10.051 -1.522 3.931 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -8.857 -2.729 3.495 1.00 0.00 H new ATOM 0 HG LEU A 76 -8.749 -0.684 1.507 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -8.164 1.271 2.883 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -9.865 0.795 3.097 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -8.663 0.386 4.344 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -6.450 -0.419 2.357 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -6.876 -1.379 3.793 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -6.897 -2.133 2.181 1.00 0.00 H new ATOM 1304 N ILE A 77 -9.215 -2.951 0.019 1.00 0.00 N ATOM 1305 CA ILE A 77 -8.494 -3.774 -0.944 1.00 0.00 C ATOM 1306 C ILE A 77 -7.196 -3.105 -1.388 1.00 0.00 C ATOM 1307 O ILE A 77 -7.184 -1.926 -1.743 1.00 0.00 O ATOM 1308 CB ILE A 77 -9.361 -4.074 -2.185 1.00 0.00 C ATOM 1309 CG1 ILE A 77 -9.599 -2.799 -2.998 1.00 0.00 C ATOM 1310 CG2 ILE A 77 -10.685 -4.695 -1.768 1.00 0.00 C ATOM 1311 CD1 ILE A 77 -8.690 -2.672 -4.201 1.00 0.00 C ATOM 0 H ILE A 77 -9.310 -1.971 -0.248 1.00 0.00 H new ATOM 0 HA ILE A 77 -8.255 -4.711 -0.441 1.00 0.00 H new ATOM 0 HB ILE A 77 -8.827 -4.786 -2.814 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -10.636 -2.779 -3.333 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -9.456 -1.933 -2.351 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -11.285 -4.901 -2.654 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -10.498 -5.626 -1.232 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -11.222 -4.004 -1.118 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -8.914 -1.746 -4.730 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -7.651 -2.660 -3.872 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -8.849 -3.519 -4.869 1.00 0.00 H new ATOM 1323 N LEU A 78 -6.108 -3.866 -1.371 1.00 0.00 N ATOM 1324 CA LEU A 78 -4.807 -3.349 -1.779 1.00 0.00 C ATOM 1325 C LEU A 78 -4.681 -3.349 -3.299 1.00 0.00 C ATOM 1326 O LEU A 78 -4.883 -4.376 -3.948 1.00 0.00 O ATOM 1327 CB LEU A 78 -3.684 -4.185 -1.159 1.00 0.00 C ATOM 1328 CG LEU A 78 -3.521 -4.033 0.354 1.00 0.00 C ATOM 1329 CD1 LEU A 78 -2.405 -4.929 0.863 1.00 0.00 C ATOM 1330 CD2 LEU A 78 -3.252 -2.581 0.717 1.00 0.00 C ATOM 0 H LEU A 78 -6.101 -4.843 -1.079 1.00 0.00 H new ATOM 0 HA LEU A 78 -4.720 -2.322 -1.423 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -3.867 -5.235 -1.385 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -2.743 -3.915 -1.639 1.00 0.00 H new ATOM 0 HG LEU A 78 -4.450 -4.340 0.834 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -2.304 -4.807 1.941 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -2.641 -5.969 0.636 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -1.468 -4.655 0.378 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -3.139 -2.491 1.797 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -2.337 -2.247 0.227 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.087 -1.963 0.387 1.00 0.00 H new ATOM 1342 N LEU A 79 -4.352 -2.191 -3.863 1.00 0.00 N ATOM 1343 CA LEU A 79 -4.206 -2.061 -5.307 1.00 0.00 C ATOM 1344 C LEU A 79 -2.785 -2.405 -5.749 1.00 0.00 C ATOM 1345 O LEU A 79 -2.572 -3.372 -6.479 1.00 0.00 O ATOM 1346 CB LEU A 79 -4.574 -0.643 -5.751 1.00 0.00 C ATOM 1347 CG LEU A 79 -5.577 -0.565 -6.903 1.00 0.00 C ATOM 1348 CD1 LEU A 79 -6.999 -0.498 -6.368 1.00 0.00 C ATOM 1349 CD2 LEU A 79 -5.282 0.636 -7.789 1.00 0.00 C ATOM 0 H LEU A 79 -4.182 -1.331 -3.342 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.887 -2.767 -5.782 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.984 -0.106 -4.896 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.663 -0.123 -6.047 1.00 0.00 H new ATOM 0 HG LEU A 79 -5.479 -1.468 -7.506 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -7.699 -0.443 -7.202 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -7.208 -1.390 -5.777 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -7.111 0.387 -5.741 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -6.006 0.674 -8.603 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -5.351 1.550 -7.198 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -4.277 0.546 -8.201 1.00 0.00 H new ATOM 1361 N ARG A 80 -1.814 -1.611 -5.301 1.00 0.00 N ATOM 1362 CA ARG A 80 -0.418 -1.850 -5.657 1.00 0.00 C ATOM 1363 C ARG A 80 0.531 -1.169 -4.675 1.00 0.00 C ATOM 1364 O ARG A 80 0.113 -0.363 -3.844 1.00 0.00 O ATOM 1365 CB ARG A 80 -0.137 -1.367 -7.087 1.00 0.00 C ATOM 1366 CG ARG A 80 -0.079 0.147 -7.234 1.00 0.00 C ATOM 1367 CD ARG A 80 -1.399 0.710 -7.729 1.00 0.00 C ATOM 1368 NE ARG A 80 -1.793 0.133 -9.012 1.00 0.00 N ATOM 1369 CZ ARG A 80 -1.289 0.515 -10.184 1.00 0.00 C ATOM 1370 NH1 ARG A 80 -0.368 1.470 -10.238 1.00 0.00 N ATOM 1371 NH2 ARG A 80 -1.704 -0.060 -11.305 1.00 0.00 N ATOM 0 H ARG A 80 -1.967 -0.804 -4.696 1.00 0.00 H new ATOM 0 HA ARG A 80 -0.242 -2.925 -5.606 1.00 0.00 H new ATOM 0 HB2 ARG A 80 0.810 -1.790 -7.422 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -0.911 -1.756 -7.749 1.00 0.00 H new ATOM 0 HG2 ARG A 80 0.172 0.597 -6.274 1.00 0.00 H new ATOM 0 HG3 ARG A 80 0.716 0.416 -7.930 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -2.176 0.515 -6.990 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -1.317 1.792 -7.828 1.00 0.00 H new ATOM 0 HE ARG A 80 -2.496 -0.606 -9.010 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -0.043 1.915 -9.379 1.00 0.00 H new ATOM 0 HH12 ARG A 80 0.015 1.759 -11.138 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -2.410 -0.795 -11.270 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -1.317 0.233 -12.202 1.00 0.00 H new ATOM 1385 N LEU A 81 1.813 -1.503 -4.781 1.00 0.00 N ATOM 1386 CA LEU A 81 2.833 -0.932 -3.909 1.00 0.00 C ATOM 1387 C LEU A 81 3.882 -0.180 -4.724 1.00 0.00 C ATOM 1388 O LEU A 81 4.271 -0.619 -5.807 1.00 0.00 O ATOM 1389 CB LEU A 81 3.503 -2.036 -3.087 1.00 0.00 C ATOM 1390 CG LEU A 81 4.304 -1.551 -1.876 1.00 0.00 C ATOM 1391 CD1 LEU A 81 5.555 -0.807 -2.322 1.00 0.00 C ATOM 1392 CD2 LEU A 81 3.444 -0.665 -0.988 1.00 0.00 C ATOM 0 H LEU A 81 2.171 -2.169 -5.465 1.00 0.00 H new ATOM 0 HA LEU A 81 2.349 -0.227 -3.233 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.734 -2.727 -2.741 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.168 -2.601 -3.740 1.00 0.00 H new ATOM 0 HG LEU A 81 4.612 -2.422 -1.298 1.00 0.00 H new ATOM 0 HD11 LEU A 81 6.110 -0.471 -1.446 1.00 0.00 H new ATOM 0 HD12 LEU A 81 6.182 -1.472 -2.915 1.00 0.00 H new ATOM 0 HD13 LEU A 81 5.270 0.056 -2.924 1.00 0.00 H new ATOM 0 HD21 LEU A 81 4.030 -0.330 -0.132 1.00 0.00 H new ATOM 0 HD22 LEU A 81 3.105 0.200 -1.557 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.580 -1.230 -0.637 1.00 0.00 H new ATOM 1404 N GLY A 82 4.335 0.953 -4.198 1.00 0.00 N ATOM 1405 CA GLY A 82 5.335 1.743 -4.893 1.00 0.00 C ATOM 1406 C GLY A 82 6.117 2.645 -3.959 1.00 0.00 C ATOM 1407 O GLY A 82 6.072 2.478 -2.741 1.00 0.00 O ATOM 0 H GLY A 82 4.028 1.338 -3.305 1.00 0.00 H new ATOM 0 HA2 GLY A 82 6.025 1.076 -5.410 1.00 0.00 H new ATOM 0 HA3 GLY A 82 4.847 2.351 -5.655 1.00 0.00 H new ATOM 1411 N SER A 83 6.837 3.604 -4.532 1.00 0.00 N ATOM 1412 CA SER A 83 7.634 4.537 -3.746 1.00 0.00 C ATOM 1413 C SER A 83 7.741 5.887 -4.448 1.00 0.00 C ATOM 1414 O SER A 83 7.128 6.104 -5.493 1.00 0.00 O ATOM 1415 CB SER A 83 9.032 3.964 -3.498 1.00 0.00 C ATOM 1416 OG SER A 83 8.961 2.718 -2.829 1.00 0.00 O ATOM 0 H SER A 83 6.884 3.755 -5.540 1.00 0.00 H new ATOM 0 HA SER A 83 7.135 4.685 -2.788 1.00 0.00 H new ATOM 0 HB2 SER A 83 9.552 3.841 -4.448 1.00 0.00 H new ATOM 0 HB3 SER A 83 9.616 4.667 -2.904 1.00 0.00 H new ATOM 0 HG SER A 83 9.131 2.850 -1.873 1.00 0.00 H new ATOM 1422 N HIS A 84 8.525 6.791 -3.866 1.00 0.00 N ATOM 1423 CA HIS A 84 8.712 8.120 -4.436 1.00 0.00 C ATOM 1424 C HIS A 84 9.496 8.051 -5.744 1.00 0.00 C ATOM 1425 O HIS A 84 9.321 8.888 -6.628 1.00 0.00 O ATOM 1426 CB HIS A 84 9.438 9.025 -3.441 1.00 0.00 C ATOM 1427 CG HIS A 84 9.358 10.480 -3.787 1.00 0.00 C ATOM 1428 ND1 HIS A 84 10.079 11.051 -4.813 1.00 0.00 N ATOM 1429 CD2 HIS A 84 8.634 11.483 -3.236 1.00 0.00 C ATOM 1430 CE1 HIS A 84 9.803 12.340 -4.880 1.00 0.00 C ATOM 1431 NE2 HIS A 84 8.930 12.628 -3.934 1.00 0.00 N ATOM 0 H HIS A 84 9.040 6.627 -3.001 1.00 0.00 H new ATOM 0 HA HIS A 84 7.728 8.537 -4.648 1.00 0.00 H new ATOM 0 HB2 HIS A 84 9.015 8.872 -2.448 1.00 0.00 H new ATOM 0 HB3 HIS A 84 10.486 8.729 -3.390 1.00 0.00 H new ATOM 0 HD2 HIS A 84 7.951 11.398 -2.403 1.00 0.00 H new ATOM 0 HE1 HIS A 84 10.221 13.040 -5.589 1.00 0.00 H new ATOM 0 HE2 HIS A 84 8.538 13.552 -3.751 1.00 0.00 H new ATOM 1440 N SER A 85 10.363 7.049 -5.859 1.00 0.00 N ATOM 1441 CA SER A 85 11.173 6.875 -7.059 1.00 0.00 C ATOM 1442 C SER A 85 10.462 5.994 -8.081 1.00 0.00 C ATOM 1443 O SER A 85 10.743 6.068 -9.278 1.00 0.00 O ATOM 1444 CB SER A 85 12.529 6.265 -6.698 1.00 0.00 C ATOM 1445 OG SER A 85 12.998 6.759 -5.456 1.00 0.00 O ATOM 0 H SER A 85 10.522 6.347 -5.137 1.00 0.00 H new ATOM 0 HA SER A 85 11.328 7.858 -7.505 1.00 0.00 H new ATOM 0 HB2 SER A 85 12.442 5.180 -6.651 1.00 0.00 H new ATOM 0 HB3 SER A 85 13.253 6.493 -7.480 1.00 0.00 H new ATOM 0 HG SER A 85 13.865 6.352 -5.248 1.00 0.00 H new ATOM 1451 N GLU A 86 9.542 5.160 -7.605 1.00 0.00 N ATOM 1452 CA GLU A 86 8.796 4.265 -8.483 1.00 0.00 C ATOM 1453 C GLU A 86 7.597 4.980 -9.099 1.00 0.00 C ATOM 1454 O GLU A 86 7.607 5.324 -10.280 1.00 0.00 O ATOM 1455 CB GLU A 86 8.332 3.029 -7.708 1.00 0.00 C ATOM 1456 CG GLU A 86 8.783 1.718 -8.331 1.00 0.00 C ATOM 1457 CD GLU A 86 7.697 1.066 -9.166 1.00 0.00 C ATOM 1458 OE1 GLU A 86 7.017 1.789 -9.925 1.00 0.00 O ATOM 1459 OE2 GLU A 86 7.526 -0.166 -9.061 1.00 0.00 O ATOM 0 H GLU A 86 9.296 5.085 -6.618 1.00 0.00 H new ATOM 0 HA GLU A 86 9.458 3.950 -9.290 1.00 0.00 H new ATOM 0 HB2 GLU A 86 8.711 3.086 -6.688 1.00 0.00 H new ATOM 0 HB3 GLU A 86 7.244 3.037 -7.645 1.00 0.00 H new ATOM 0 HG2 GLU A 86 9.658 1.899 -8.956 1.00 0.00 H new ATOM 0 HG3 GLU A 86 9.091 1.032 -7.542 1.00 0.00 H new ATOM 1466 N LEU A 87 6.564 5.196 -8.290 1.00 0.00 N ATOM 1467 CA LEU A 87 5.356 5.867 -8.757 1.00 0.00 C ATOM 1468 C LEU A 87 5.632 7.336 -9.063 1.00 0.00 C ATOM 1469 O LEU A 87 5.147 7.874 -10.057 1.00 0.00 O ATOM 1470 CB LEU A 87 4.248 5.753 -7.709 1.00 0.00 C ATOM 1471 CG LEU A 87 4.091 4.368 -7.078 1.00 0.00 C ATOM 1472 CD1 LEU A 87 2.902 4.345 -6.131 1.00 0.00 C ATOM 1473 CD2 LEU A 87 3.937 3.306 -8.156 1.00 0.00 C ATOM 0 H LEU A 87 6.539 4.916 -7.309 1.00 0.00 H new ATOM 0 HA LEU A 87 5.031 5.378 -9.676 1.00 0.00 H new ATOM 0 HB2 LEU A 87 4.443 6.476 -6.917 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.302 6.034 -8.171 1.00 0.00 H new ATOM 0 HG LEU A 87 4.991 4.147 -6.504 1.00 0.00 H new ATOM 0 HD11 LEU A 87 2.806 3.352 -5.692 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.053 5.079 -5.339 1.00 0.00 H new ATOM 0 HD13 LEU A 87 1.993 4.587 -6.682 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.827 2.327 -7.689 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.054 3.523 -8.757 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.820 3.306 -8.795 1.00 0.00 H new ATOM 1485 N PHE A 88 6.412 7.979 -8.200 1.00 0.00 N ATOM 1486 CA PHE A 88 6.750 9.386 -8.380 1.00 0.00 C ATOM 1487 C PHE A 88 8.121 9.538 -9.032 1.00 0.00 C ATOM 1488 O PHE A 88 8.744 10.607 -8.858 1.00 0.00 O ATOM 1489 CB PHE A 88 6.730 10.114 -7.035 1.00 0.00 C ATOM 1490 CG PHE A 88 5.346 10.442 -6.551 1.00 0.00 C ATOM 1491 CD1 PHE A 88 4.538 9.456 -6.004 1.00 0.00 C ATOM 1492 CD2 PHE A 88 4.852 11.733 -6.641 1.00 0.00 C ATOM 1493 CE1 PHE A 88 3.264 9.756 -5.556 1.00 0.00 C ATOM 1494 CE2 PHE A 88 3.581 12.037 -6.196 1.00 0.00 C ATOM 1495 CZ PHE A 88 2.785 11.047 -5.652 1.00 0.00 C ATOM 1496 OXT PHE A 88 8.562 8.586 -9.710 1.00 0.00 O ATOM 0 H PHE A 88 6.821 7.549 -7.371 1.00 0.00 H new ATOM 0 HA PHE A 88 6.003 9.831 -9.038 1.00 0.00 H new ATOM 0 HB2 PHE A 88 7.230 9.496 -6.289 1.00 0.00 H new ATOM 0 HB3 PHE A 88 7.304 11.037 -7.122 1.00 0.00 H new ATOM 0 HD1 PHE A 88 4.907 8.444 -5.927 1.00 0.00 H new ATOM 0 HD2 PHE A 88 5.469 12.512 -7.065 1.00 0.00 H new ATOM 0 HE1 PHE A 88 2.644 8.980 -5.131 1.00 0.00 H new ATOM 0 HE2 PHE A 88 3.209 13.048 -6.273 1.00 0.00 H new ATOM 0 HZ PHE A 88 1.791 11.283 -5.303 1.00 0.00 H new