USER MOD reduce.3.24.130724 H: found=0, std=0, add=555, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 553 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 62 GLN : amide:sc= -1.46 K(o=-2.7,f=-1.4!) USER MOD Set 1.2: A 65 GLN : amide:sc= -1.24 K(o=-2.7,f=-1.4) USER MOD Set 2.1: A 51 LYS NZ :NH3+ 138:sc= 0.142 (180deg=0) USER MOD Set 2.2: A 52 SER OG : rot 180:sc= 0.137 USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -0.82 K(o=-0.82,f=-0.016) USER MOD Single : A 18 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 166:sc= -0.0047 (180deg=-0.114) USER MOD Single : A 21 HIS : no HE2:sc= -6.49! C(o=-6.5!,f=-9.6!) USER MOD Single : A 23 HIS : no HD1:sc=-0.00201 X(o=-0.002,f=-0.1) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc=-0.00815 K(o=-0.0081,f=-1.6!) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -1.22 K(o=-1.2,f=-3.2!) USER MOD Single : A 39 TYR OH : rot 180:sc= -0.0179 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot -130:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -2.23 K(o=-2.2,f=-6.3!) USER MOD Single : A 66 GLN : amide:sc= -1.28 K(o=-1.3,f=-3.8!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 58 N MET A 9 -14.191 -6.295 3.561 1.00 1.18 N ATOM 59 CA MET A 9 -12.907 -5.625 3.386 1.00 0.82 C ATOM 60 C MET A 9 -12.146 -6.222 2.210 1.00 0.72 C ATOM 61 O MET A 9 -11.655 -7.349 2.283 1.00 0.97 O ATOM 62 CB MET A 9 -12.075 -5.754 4.658 1.00 1.08 C ATOM 63 CG MET A 9 -12.852 -5.294 5.888 1.00 1.61 C ATOM 64 SD MET A 9 -11.929 -5.525 7.416 1.00 2.27 S ATOM 65 CE MET A 9 -12.218 -7.274 7.728 1.00 2.82 C ATOM 0 HA MET A 9 -13.093 -4.571 3.182 1.00 0.82 H new ATOM 0 HB2 MET A 9 -11.768 -6.792 4.788 1.00 1.08 H new ATOM 0 HB3 MET A 9 -11.165 -5.162 4.560 1.00 1.08 H new ATOM 0 HG2 MET A 9 -13.108 -4.240 5.778 1.00 1.61 H new ATOM 0 HG3 MET A 9 -13.790 -5.845 5.948 1.00 1.61 H new ATOM 0 HE1 MET A 9 -11.708 -7.569 8.645 1.00 2.82 H new ATOM 0 HE2 MET A 9 -13.288 -7.453 7.834 1.00 2.82 H new ATOM 0 HE3 MET A 9 -11.833 -7.861 6.894 1.00 2.82 H new ATOM 75 N ASP A 10 -12.049 -5.460 1.127 1.00 0.49 N ATOM 76 CA ASP A 10 -11.345 -5.910 -0.067 1.00 0.42 C ATOM 77 C ASP A 10 -9.838 -5.821 0.140 1.00 0.38 C ATOM 78 O ASP A 10 -9.317 -4.776 0.532 1.00 0.54 O ATOM 79 CB ASP A 10 -11.753 -5.058 -1.265 1.00 0.44 C ATOM 80 CG ASP A 10 -13.234 -5.244 -1.567 1.00 0.86 C ATOM 81 OD1 ASP A 10 -14.063 -4.976 -0.672 1.00 1.55 O ATOM 82 OD2 ASP A 10 -13.563 -5.659 -2.698 1.00 1.53 O ATOM 0 H ASP A 10 -12.450 -4.525 1.052 1.00 0.49 H new ATOM 0 HA ASP A 10 -11.613 -6.949 -0.258 1.00 0.42 H new ATOM 0 HB2 ASP A 10 -11.546 -4.008 -1.060 1.00 0.44 H new ATOM 0 HB3 ASP A 10 -11.160 -5.336 -2.136 1.00 0.44 H new ATOM 87 N TYR A 11 -9.142 -6.922 -0.122 1.00 0.40 N ATOM 88 CA TYR A 11 -7.694 -6.965 0.040 1.00 0.37 C ATOM 89 C TYR A 11 -7.006 -7.221 -1.294 1.00 0.34 C ATOM 90 O TYR A 11 -7.594 -7.799 -2.208 1.00 0.38 O ATOM 91 CB TYR A 11 -7.314 -8.055 1.037 1.00 0.42 C ATOM 92 CG TYR A 11 -7.699 -9.438 0.573 1.00 0.48 C ATOM 93 CD1 TYR A 11 -6.865 -10.144 -0.276 1.00 0.57 C ATOM 94 CD2 TYR A 11 -8.887 -10.007 0.995 1.00 0.54 C ATOM 95 CE1 TYR A 11 -7.219 -11.413 -0.702 1.00 0.67 C ATOM 96 CE2 TYR A 11 -9.241 -11.275 0.570 1.00 0.63 C ATOM 97 CZ TYR A 11 -8.403 -11.973 -0.277 1.00 0.67 C ATOM 98 OH TYR A 11 -8.756 -13.234 -0.699 1.00 0.78 O ATOM 0 H TYR A 11 -9.557 -7.795 -0.447 1.00 0.40 H new ATOM 0 HA TYR A 11 -7.363 -5.998 0.418 1.00 0.37 H new ATOM 0 HB2 TYR A 11 -6.238 -8.022 1.210 1.00 0.42 H new ATOM 0 HB3 TYR A 11 -7.797 -7.851 1.992 1.00 0.42 H new ATOM 0 HD1 TYR A 11 -5.936 -9.704 -0.607 1.00 0.57 H new ATOM 0 HD2 TYR A 11 -9.540 -9.460 1.658 1.00 0.54 H new ATOM 0 HE1 TYR A 11 -6.568 -11.962 -1.366 1.00 0.67 H new ATOM 0 HE2 TYR A 11 -10.169 -11.717 0.899 1.00 0.63 H new ATOM 0 HH TYR A 11 -9.619 -13.481 -0.306 1.00 0.78 H new ATOM 108 N VAL A 12 -5.755 -6.787 -1.395 1.00 0.34 N ATOM 109 CA VAL A 12 -4.972 -6.963 -2.612 1.00 0.34 C ATOM 110 C VAL A 12 -3.498 -6.697 -2.330 1.00 0.35 C ATOM 111 O VAL A 12 -3.157 -5.816 -1.541 1.00 0.51 O ATOM 112 CB VAL A 12 -5.473 -6.016 -3.697 1.00 0.38 C ATOM 113 CG1 VAL A 12 -5.335 -4.563 -3.251 1.00 0.52 C ATOM 114 CG2 VAL A 12 -4.727 -6.251 -5.007 1.00 0.81 C ATOM 0 H VAL A 12 -5.259 -6.308 -0.644 1.00 0.34 H new ATOM 0 HA VAL A 12 -5.086 -7.990 -2.958 1.00 0.34 H new ATOM 0 HB VAL A 12 -6.530 -6.222 -3.866 1.00 0.38 H new ATOM 0 HG11 VAL A 12 -5.698 -3.904 -4.040 1.00 0.52 H new ATOM 0 HG12 VAL A 12 -5.921 -4.403 -2.346 1.00 0.52 H new ATOM 0 HG13 VAL A 12 -4.287 -4.343 -3.048 1.00 0.52 H new ATOM 0 HG21 VAL A 12 -5.101 -5.565 -5.767 1.00 0.81 H new ATOM 0 HG22 VAL A 12 -3.661 -6.079 -4.855 1.00 0.81 H new ATOM 0 HG23 VAL A 12 -4.885 -7.278 -5.337 1.00 0.81 H new ATOM 124 N GLU A 13 -2.626 -7.467 -2.973 1.00 0.49 N ATOM 125 CA GLU A 13 -1.187 -7.314 -2.781 1.00 0.54 C ATOM 126 C GLU A 13 -0.526 -6.778 -4.043 1.00 0.50 C ATOM 127 O GLU A 13 -0.980 -7.043 -5.156 1.00 0.60 O ATOM 128 CB GLU A 13 -0.561 -8.656 -2.410 1.00 0.67 C ATOM 129 CG GLU A 13 -1.437 -9.442 -1.439 1.00 1.05 C ATOM 130 CD GLU A 13 -1.215 -8.956 -0.013 1.00 1.43 C ATOM 131 OE1 GLU A 13 -0.888 -7.763 0.164 1.00 2.05 O ATOM 132 OE2 GLU A 13 -1.369 -9.767 0.923 1.00 1.97 O ATOM 0 H GLU A 13 -2.889 -8.202 -3.630 1.00 0.49 H new ATOM 0 HA GLU A 13 -1.027 -6.602 -1.972 1.00 0.54 H new ATOM 0 HB2 GLU A 13 -0.402 -9.245 -3.313 1.00 0.67 H new ATOM 0 HB3 GLU A 13 0.418 -8.488 -1.962 1.00 0.67 H new ATOM 0 HG2 GLU A 13 -2.486 -9.326 -1.710 1.00 1.05 H new ATOM 0 HG3 GLU A 13 -1.205 -10.505 -1.508 1.00 1.05 H new ATOM 139 N ILE A 14 0.560 -6.032 -3.863 1.00 0.48 N ATOM 140 CA ILE A 14 1.299 -5.467 -4.985 1.00 0.49 C ATOM 141 C ILE A 14 2.762 -5.888 -4.908 1.00 0.48 C ATOM 142 O ILE A 14 3.431 -5.662 -3.899 1.00 0.43 O ATOM 143 CB ILE A 14 1.178 -3.943 -4.985 1.00 0.52 C ATOM 144 CG1 ILE A 14 1.904 -3.334 -3.784 1.00 0.51 C ATOM 145 CG2 ILE A 14 -0.288 -3.521 -4.994 1.00 0.64 C ATOM 146 CD1 ILE A 14 1.705 -1.822 -3.715 1.00 0.63 C ATOM 0 H ILE A 14 0.948 -5.805 -2.947 1.00 0.48 H new ATOM 0 HA ILE A 14 0.875 -5.845 -5.916 1.00 0.49 H new ATOM 0 HB ILE A 14 1.652 -3.568 -5.892 1.00 0.52 H new ATOM 0 HG12 ILE A 14 1.537 -3.792 -2.866 1.00 0.51 H new ATOM 0 HG13 ILE A 14 2.969 -3.559 -3.849 1.00 0.51 H new ATOM 0 HG21 ILE A 14 -0.353 -2.433 -4.994 1.00 0.64 H new ATOM 0 HG22 ILE A 14 -0.774 -3.914 -5.887 1.00 0.64 H new ATOM 0 HG23 ILE A 14 -0.785 -3.914 -4.107 1.00 0.64 H new ATOM 0 HD11 ILE A 14 2.235 -1.424 -2.849 1.00 0.63 H new ATOM 0 HD12 ILE A 14 2.096 -1.362 -4.623 1.00 0.63 H new ATOM 0 HD13 ILE A 14 0.642 -1.599 -3.624 1.00 0.63 H new ATOM 158 N ASN A 15 3.249 -6.516 -5.972 1.00 0.59 N ATOM 159 CA ASN A 15 4.629 -6.982 -6.017 1.00 0.62 C ATOM 160 C ASN A 15 5.585 -5.820 -6.245 1.00 0.60 C ATOM 161 O ASN A 15 5.453 -5.072 -7.215 1.00 0.78 O ATOM 162 CB ASN A 15 4.794 -8.018 -7.126 1.00 0.79 C ATOM 163 CG ASN A 15 3.659 -9.034 -7.072 1.00 1.31 C ATOM 164 OD1 ASN A 15 3.140 -9.453 -8.106 1.00 2.20 O ATOM 165 ND2 ASN A 15 3.273 -9.427 -5.864 1.00 1.54 N ATOM 0 H ASN A 15 2.709 -6.714 -6.814 1.00 0.59 H new ATOM 0 HA ASN A 15 4.868 -7.441 -5.058 1.00 0.62 H new ATOM 0 HB2 ASN A 15 4.803 -7.523 -8.097 1.00 0.79 H new ATOM 0 HB3 ASN A 15 5.752 -8.526 -7.019 1.00 0.79 H new ATOM 0 HD21 ASN A 15 2.516 -10.104 -5.765 1.00 1.54 H new ATOM 0 HD22 ASN A 15 3.733 -9.052 -5.034 1.00 1.54 H new ATOM 172 N ILE A 16 6.554 -5.678 -5.346 1.00 0.49 N ATOM 173 CA ILE A 16 7.544 -4.611 -5.442 1.00 0.49 C ATOM 174 C ILE A 16 8.950 -5.195 -5.420 1.00 0.56 C ATOM 175 O ILE A 16 9.177 -6.267 -4.856 1.00 0.66 O ATOM 176 CB ILE A 16 7.370 -3.630 -4.287 1.00 0.48 C ATOM 177 CG1 ILE A 16 5.909 -3.204 -4.155 1.00 0.63 C ATOM 178 CG2 ILE A 16 8.269 -2.413 -4.471 1.00 0.58 C ATOM 179 CD1 ILE A 16 5.391 -2.559 -5.439 1.00 0.84 C ATOM 0 H ILE A 16 6.675 -6.291 -4.540 1.00 0.49 H new ATOM 0 HA ILE A 16 7.397 -4.081 -6.383 1.00 0.49 H new ATOM 0 HB ILE A 16 7.664 -4.135 -3.367 1.00 0.48 H new ATOM 0 HG12 ILE A 16 5.297 -4.073 -3.911 1.00 0.63 H new ATOM 0 HG13 ILE A 16 5.808 -2.501 -3.328 1.00 0.63 H new ATOM 0 HG21 ILE A 16 8.128 -1.727 -3.636 1.00 0.58 H new ATOM 0 HG22 ILE A 16 9.311 -2.732 -4.507 1.00 0.58 H new ATOM 0 HG23 ILE A 16 8.012 -1.908 -5.402 1.00 0.58 H new ATOM 0 HD11 ILE A 16 4.349 -2.270 -5.306 1.00 0.84 H new ATOM 0 HD12 ILE A 16 5.987 -1.675 -5.668 1.00 0.84 H new ATOM 0 HD13 ILE A 16 5.468 -3.271 -6.261 1.00 0.84 H new ATOM 191 N ASP A 17 9.893 -4.491 -6.038 1.00 0.63 N ATOM 192 CA ASP A 17 11.277 -4.948 -6.090 1.00 0.75 C ATOM 193 C ASP A 17 12.199 -3.969 -5.374 1.00 1.00 C ATOM 194 O ASP A 17 12.615 -4.209 -4.240 1.00 1.75 O ATOM 195 CB ASP A 17 11.718 -5.106 -7.542 1.00 1.27 C ATOM 196 CG ASP A 17 11.341 -6.486 -8.063 1.00 1.63 C ATOM 197 OD1 ASP A 17 11.261 -7.430 -7.249 1.00 2.16 O ATOM 198 OD2 ASP A 17 11.126 -6.622 -9.287 1.00 2.21 O ATOM 0 H ASP A 17 9.724 -3.602 -6.509 1.00 0.63 H new ATOM 0 HA ASP A 17 11.339 -5.912 -5.585 1.00 0.75 H new ATOM 0 HB2 ASP A 17 11.250 -4.338 -8.157 1.00 1.27 H new ATOM 0 HB3 ASP A 17 12.796 -4.963 -7.619 1.00 1.27 H new ATOM 203 N HIS A 18 12.521 -2.867 -6.045 1.00 1.27 N ATOM 204 CA HIS A 18 13.403 -1.850 -5.479 1.00 1.85 C ATOM 205 C HIS A 18 12.946 -1.459 -4.078 1.00 1.32 C ATOM 206 O HIS A 18 11.842 -1.799 -3.655 1.00 2.00 O ATOM 207 CB HIS A 18 13.425 -0.619 -6.379 1.00 2.83 C ATOM 208 CG HIS A 18 14.813 -0.158 -6.701 1.00 3.48 C ATOM 209 ND1 HIS A 18 15.554 -0.669 -7.736 1.00 4.01 N ATOM 210 CD2 HIS A 18 15.616 0.774 -6.125 1.00 4.16 C ATOM 211 CE1 HIS A 18 16.733 -0.096 -7.799 1.00 4.73 C ATOM 212 NE2 HIS A 18 16.807 0.796 -6.824 1.00 4.84 N ATOM 0 H HIS A 18 12.184 -2.655 -6.984 1.00 1.27 H new ATOM 0 HA HIS A 18 14.409 -2.265 -5.412 1.00 1.85 H new ATOM 0 HB2 HIS A 18 12.898 -0.843 -7.306 1.00 2.83 H new ATOM 0 HB3 HIS A 18 12.882 0.191 -5.892 1.00 2.83 H new ATOM 0 HD2 HIS A 18 15.367 1.388 -5.272 1.00 4.16 H new ATOM 0 HE1 HIS A 18 17.507 -0.314 -8.520 1.00 4.73 H new ATOM 0 HE2 HIS A 18 17.607 1.397 -6.623 1.00 4.84 H new ATOM 220 N LYS A 19 13.808 -0.741 -3.363 1.00 0.82 N ATOM 221 CA LYS A 19 13.502 -0.299 -2.008 1.00 0.84 C ATOM 222 C LYS A 19 12.405 0.760 -2.025 1.00 0.77 C ATOM 223 O LYS A 19 12.643 1.920 -1.687 1.00 1.13 O ATOM 224 CB LYS A 19 14.758 0.265 -1.348 1.00 1.47 C ATOM 225 CG LYS A 19 15.943 -0.688 -1.489 1.00 1.97 C ATOM 226 CD LYS A 19 17.247 0.067 -1.729 1.00 2.72 C ATOM 227 CE LYS A 19 18.315 -0.836 -2.339 1.00 3.37 C ATOM 228 NZ LYS A 19 18.027 -1.125 -3.772 1.00 4.03 N ATOM 0 H LYS A 19 14.726 -0.453 -3.702 1.00 0.82 H new ATOM 0 HA LYS A 19 13.149 -1.156 -1.435 1.00 0.84 H new ATOM 0 HB2 LYS A 19 15.007 1.225 -1.799 1.00 1.47 H new ATOM 0 HB3 LYS A 19 14.563 0.450 -0.292 1.00 1.47 H new ATOM 0 HG2 LYS A 19 16.033 -1.293 -0.587 1.00 1.97 H new ATOM 0 HG3 LYS A 19 15.762 -1.374 -2.316 1.00 1.97 H new ATOM 0 HD2 LYS A 19 17.062 0.912 -2.392 1.00 2.72 H new ATOM 0 HD3 LYS A 19 17.610 0.476 -0.786 1.00 2.72 H new ATOM 0 HE2 LYS A 19 19.291 -0.359 -2.251 1.00 3.37 H new ATOM 0 HE3 LYS A 19 18.366 -1.771 -1.781 1.00 3.37 H new ATOM 0 HZ1 LYS A 19 18.872 -1.534 -4.220 1.00 4.03 H new ATOM 0 HZ2 LYS A 19 17.239 -1.800 -3.838 1.00 4.03 H new ATOM 0 HZ3 LYS A 19 17.769 -0.243 -4.259 1.00 4.03 H new ATOM 242 N PHE A 20 11.203 0.353 -2.421 1.00 0.63 N ATOM 243 CA PHE A 20 10.065 1.264 -2.484 1.00 0.61 C ATOM 244 C PHE A 20 9.501 1.515 -1.092 1.00 0.62 C ATOM 245 O PHE A 20 9.030 2.612 -0.790 1.00 0.95 O ATOM 246 CB PHE A 20 8.980 0.675 -3.383 1.00 0.62 C ATOM 247 CG PHE A 20 8.615 1.576 -4.536 1.00 0.75 C ATOM 248 CD1 PHE A 20 9.607 2.225 -5.253 1.00 1.08 C ATOM 249 CD2 PHE A 20 7.286 1.758 -4.882 1.00 0.96 C ATOM 250 CE1 PHE A 20 9.271 3.051 -6.312 1.00 1.26 C ATOM 251 CE2 PHE A 20 6.951 2.584 -5.941 1.00 1.17 C ATOM 252 CZ PHE A 20 7.944 3.230 -6.655 1.00 1.19 C ATOM 0 H PHE A 20 10.992 -0.604 -2.704 1.00 0.63 H new ATOM 0 HA PHE A 20 10.403 2.214 -2.898 1.00 0.61 H new ATOM 0 HB2 PHE A 20 9.320 -0.284 -3.773 1.00 0.62 H new ATOM 0 HB3 PHE A 20 8.089 0.479 -2.787 1.00 0.62 H new ATOM 0 HD1 PHE A 20 10.644 2.086 -4.985 1.00 1.08 H new ATOM 0 HD2 PHE A 20 6.510 1.255 -4.325 1.00 0.96 H new ATOM 0 HE1 PHE A 20 10.046 3.556 -6.870 1.00 1.26 H new ATOM 0 HE2 PHE A 20 5.914 2.724 -6.210 1.00 1.17 H new ATOM 0 HZ PHE A 20 7.682 3.875 -7.481 1.00 1.19 H new ATOM 262 N HIS A 21 9.545 0.489 -0.250 1.00 0.53 N ATOM 263 CA HIS A 21 9.035 0.589 1.111 1.00 0.57 C ATOM 264 C HIS A 21 9.670 1.765 1.845 1.00 0.69 C ATOM 265 O HIS A 21 9.022 2.783 2.083 1.00 1.03 O ATOM 266 CB HIS A 21 9.319 -0.705 1.866 1.00 0.54 C ATOM 267 CG HIS A 21 8.557 -1.876 1.325 1.00 0.47 C ATOM 268 ND1 HIS A 21 8.223 -2.970 2.079 1.00 0.48 N ATOM 269 CD2 HIS A 21 8.058 -2.138 0.089 1.00 0.44 C ATOM 270 CE1 HIS A 21 7.562 -3.850 1.364 1.00 0.45 C ATOM 271 NE2 HIS A 21 7.443 -3.374 0.136 1.00 0.42 N ATOM 0 H HIS A 21 9.930 -0.425 -0.488 1.00 0.53 H new ATOM 0 HA HIS A 21 7.959 0.754 1.063 1.00 0.57 H new ATOM 0 HB2 HIS A 21 10.387 -0.920 1.819 1.00 0.54 H new ATOM 0 HB3 HIS A 21 9.067 -0.569 2.918 1.00 0.54 H new ATOM 0 HD1 HIS A 21 8.457 -3.085 3.065 1.00 0.48 H new ATOM 0 HD2 HIS A 21 8.129 -1.495 -0.776 1.00 0.44 H new ATOM 0 HE1 HIS A 21 7.182 -4.797 1.717 1.00 0.45 H new ATOM 279 N ARG A 22 10.940 1.614 2.204 1.00 0.68 N ATOM 280 CA ARG A 22 11.669 2.659 2.917 1.00 0.80 C ATOM 281 C ARG A 22 11.502 4.006 2.222 1.00 0.81 C ATOM 282 O ARG A 22 11.592 5.058 2.855 1.00 0.92 O ATOM 283 CB ARG A 22 13.149 2.297 2.996 1.00 0.93 C ATOM 284 CG ARG A 22 13.941 3.333 3.788 1.00 1.64 C ATOM 285 CD ARG A 22 15.361 2.853 4.070 1.00 2.14 C ATOM 286 NE ARG A 22 16.280 3.360 3.057 1.00 2.73 N ATOM 287 CZ ARG A 22 17.462 2.793 2.840 1.00 3.33 C ATOM 288 NH1 ARG A 22 18.519 3.165 3.549 1.00 3.95 N ATOM 289 NH2 ARG A 22 17.588 1.854 1.912 1.00 3.72 N ATOM 0 H ARG A 22 11.488 0.776 2.013 1.00 0.68 H new ATOM 0 HA ARG A 22 11.261 2.738 3.925 1.00 0.80 H new ATOM 0 HB2 ARG A 22 13.260 1.319 3.463 1.00 0.93 H new ATOM 0 HB3 ARG A 22 13.559 2.217 1.989 1.00 0.93 H new ATOM 0 HG2 ARG A 22 13.976 4.270 3.231 1.00 1.64 H new ATOM 0 HG3 ARG A 22 13.432 3.540 4.729 1.00 1.64 H new ATOM 0 HD2 ARG A 22 15.676 3.190 5.057 1.00 2.14 H new ATOM 0 HD3 ARG A 22 15.388 1.763 4.082 1.00 2.14 H new ATOM 0 HE ARG A 22 16.008 4.171 2.501 1.00 2.73 H new ATOM 0 HH11 ARG A 22 18.426 3.888 4.263 1.00 3.95 H new ATOM 0 HH12 ARG A 22 19.425 2.728 3.381 1.00 3.95 H new ATOM 0 HH21 ARG A 22 16.777 1.566 1.364 1.00 3.72 H new ATOM 0 HH22 ARG A 22 18.496 1.419 1.746 1.00 3.72 H new ATOM 303 N HIS A 23 11.263 3.965 0.915 1.00 0.90 N ATOM 304 CA HIS A 23 11.087 5.182 0.129 1.00 0.98 C ATOM 305 C HIS A 23 9.661 5.713 0.251 1.00 0.96 C ATOM 306 O HIS A 23 9.406 6.888 -0.010 1.00 1.12 O ATOM 307 CB HIS A 23 11.411 4.902 -1.336 1.00 1.02 C ATOM 308 CG HIS A 23 12.732 5.463 -1.761 1.00 1.30 C ATOM 309 ND1 HIS A 23 13.876 5.344 -1.015 1.00 1.83 N ATOM 310 CD2 HIS A 23 13.107 6.159 -2.866 1.00 1.56 C ATOM 311 CE1 HIS A 23 14.891 5.924 -1.613 1.00 2.07 C ATOM 312 NE2 HIS A 23 14.457 6.435 -2.753 1.00 1.86 N ATOM 0 H HIS A 23 11.187 3.102 0.377 1.00 0.90 H new ATOM 0 HA HIS A 23 11.768 5.940 0.516 1.00 0.98 H new ATOM 0 HB2 HIS A 23 11.409 3.825 -1.503 1.00 1.02 H new ATOM 0 HB3 HIS A 23 10.625 5.323 -1.963 1.00 1.02 H new ATOM 0 HD2 HIS A 23 12.465 6.445 -3.686 1.00 1.56 H new ATOM 0 HE1 HIS A 23 15.903 5.975 -1.239 1.00 2.07 H new ATOM 0 HE2 HIS A 23 15.021 6.945 -3.432 1.00 1.86 H new ATOM 320 N LEU A 24 8.735 4.844 0.647 1.00 0.86 N ATOM 321 CA LEU A 24 7.336 5.231 0.797 1.00 0.87 C ATOM 322 C LEU A 24 7.043 5.656 2.230 1.00 0.97 C ATOM 323 O LEU A 24 6.518 6.743 2.469 1.00 1.16 O ATOM 324 CB LEU A 24 6.433 4.067 0.405 1.00 0.73 C ATOM 325 CG LEU A 24 6.399 3.872 -1.107 1.00 0.76 C ATOM 326 CD1 LEU A 24 6.421 2.388 -1.463 1.00 0.72 C ATOM 327 CD2 LEU A 24 5.177 4.557 -1.710 1.00 1.25 C ATOM 0 H LEU A 24 8.928 3.868 0.870 1.00 0.86 H new ATOM 0 HA LEU A 24 7.139 6.078 0.140 1.00 0.87 H new ATOM 0 HB2 LEU A 24 6.787 3.154 0.883 1.00 0.73 H new ATOM 0 HB3 LEU A 24 5.423 4.249 0.772 1.00 0.73 H new ATOM 0 HG LEU A 24 7.291 4.333 -1.531 1.00 0.76 H new ATOM 0 HD11 LEU A 24 6.396 2.273 -2.547 1.00 0.72 H new ATOM 0 HD12 LEU A 24 7.331 1.933 -1.071 1.00 0.72 H new ATOM 0 HD13 LEU A 24 5.552 1.896 -1.026 1.00 0.72 H new ATOM 0 HD21 LEU A 24 5.171 4.406 -2.790 1.00 1.25 H new ATOM 0 HD22 LEU A 24 4.271 4.131 -1.279 1.00 1.25 H new ATOM 0 HD23 LEU A 24 5.214 5.625 -1.493 1.00 1.25 H new ATOM 339 N ILE A 25 7.380 4.791 3.183 1.00 0.92 N ATOM 340 CA ILE A 25 7.148 5.079 4.595 1.00 1.10 C ATOM 341 C ILE A 25 7.704 6.450 4.960 1.00 1.41 C ATOM 342 O ILE A 25 7.211 7.108 5.877 1.00 1.91 O ATOM 343 CB ILE A 25 7.795 4.004 5.462 1.00 0.94 C ATOM 344 CG1 ILE A 25 9.289 3.903 5.170 1.00 0.90 C ATOM 345 CG2 ILE A 25 7.118 2.655 5.248 1.00 1.06 C ATOM 346 CD1 ILE A 25 10.078 3.532 6.422 1.00 0.91 C ATOM 0 H ILE A 25 7.814 3.886 3.003 1.00 0.92 H new ATOM 0 HA ILE A 25 6.073 5.082 4.776 1.00 1.10 H new ATOM 0 HB ILE A 25 7.666 4.290 6.506 1.00 0.94 H new ATOM 0 HG12 ILE A 25 9.460 3.155 4.396 1.00 0.90 H new ATOM 0 HG13 ILE A 25 9.650 4.854 4.779 1.00 0.90 H new ATOM 0 HG21 ILE A 25 7.596 1.904 5.877 1.00 1.06 H new ATOM 0 HG22 ILE A 25 6.063 2.731 5.512 1.00 1.06 H new ATOM 0 HG23 ILE A 25 7.210 2.364 4.202 1.00 1.06 H new ATOM 0 HD11 ILE A 25 11.138 3.469 6.178 1.00 0.91 H new ATOM 0 HD12 ILE A 25 9.926 4.294 7.187 1.00 0.91 H new ATOM 0 HD13 ILE A 25 9.734 2.568 6.797 1.00 0.91 H new ATOM 358 N GLY A 26 8.732 6.878 4.234 1.00 1.49 N ATOM 359 CA GLY A 26 9.354 8.175 4.477 1.00 1.87 C ATOM 360 C GLY A 26 10.452 8.069 5.526 1.00 1.82 C ATOM 361 O GLY A 26 11.346 7.228 5.423 1.00 2.29 O ATOM 0 H GLY A 26 9.152 6.345 3.472 1.00 1.49 H new ATOM 0 HA2 GLY A 26 9.771 8.561 3.547 1.00 1.87 H new ATOM 0 HA3 GLY A 26 8.599 8.888 4.808 1.00 1.87 H new ATOM 365 N LYS A 27 10.383 8.930 6.536 1.00 1.86 N ATOM 366 CA LYS A 27 11.373 8.939 7.606 1.00 1.91 C ATOM 367 C LYS A 27 10.957 8.005 8.736 1.00 1.62 C ATOM 368 O LYS A 27 11.802 7.419 9.411 1.00 2.38 O ATOM 369 CB LYS A 27 11.545 10.356 8.145 1.00 2.21 C ATOM 370 CG LYS A 27 12.094 11.300 7.079 1.00 2.65 C ATOM 371 CD LYS A 27 13.135 12.254 7.658 1.00 3.30 C ATOM 372 CE LYS A 27 12.546 13.112 8.773 1.00 3.80 C ATOM 373 NZ LYS A 27 13.070 14.506 8.717 1.00 4.51 N ATOM 0 H LYS A 27 9.650 9.632 6.636 1.00 1.86 H new ATOM 0 HA LYS A 27 12.321 8.589 7.198 1.00 1.91 H new ATOM 0 HB2 LYS A 27 10.585 10.729 8.502 1.00 2.21 H new ATOM 0 HB3 LYS A 27 12.220 10.341 9.001 1.00 2.21 H new ATOM 0 HG2 LYS A 27 12.541 10.719 6.272 1.00 2.65 H new ATOM 0 HG3 LYS A 27 11.276 11.874 6.643 1.00 2.65 H new ATOM 0 HD2 LYS A 27 13.979 11.683 8.044 1.00 3.30 H new ATOM 0 HD3 LYS A 27 13.521 12.897 6.867 1.00 3.30 H new ATOM 0 HE2 LYS A 27 11.459 13.126 8.689 1.00 3.80 H new ATOM 0 HE3 LYS A 27 12.785 12.670 9.740 1.00 3.80 H new ATOM 0 HZ1 LYS A 27 12.652 15.065 9.487 1.00 4.51 H new ATOM 0 HZ2 LYS A 27 14.105 14.492 8.821 1.00 4.51 H new ATOM 0 HZ3 LYS A 27 12.820 14.934 7.803 1.00 4.51 H new ATOM 387 N SER A 28 9.650 7.872 8.940 1.00 1.28 N ATOM 388 CA SER A 28 9.127 7.008 9.992 1.00 1.60 C ATOM 389 C SER A 28 7.708 6.558 9.667 1.00 1.60 C ATOM 390 O SER A 28 6.819 6.613 10.517 1.00 2.28 O ATOM 391 CB SER A 28 9.142 7.747 11.327 1.00 1.99 C ATOM 392 OG SER A 28 8.795 9.112 11.140 1.00 2.57 O ATOM 0 H SER A 28 8.935 8.351 8.392 1.00 1.28 H new ATOM 0 HA SER A 28 9.763 6.125 10.060 1.00 1.60 H new ATOM 0 HB2 SER A 28 8.441 7.278 12.018 1.00 1.99 H new ATOM 0 HB3 SER A 28 10.131 7.675 11.779 1.00 1.99 H new ATOM 0 HG SER A 28 8.807 9.574 12.004 1.00 2.57 H new ATOM 398 N GLY A 29 7.502 6.109 8.434 1.00 1.21 N ATOM 399 CA GLY A 29 6.190 5.645 7.997 1.00 1.23 C ATOM 400 C GLY A 29 5.110 6.669 8.320 1.00 1.36 C ATOM 401 O GLY A 29 4.573 6.692 9.427 1.00 2.05 O ATOM 0 H GLY A 29 8.227 6.056 7.719 1.00 1.21 H new ATOM 0 HA2 GLY A 29 6.207 5.456 6.924 1.00 1.23 H new ATOM 0 HA3 GLY A 29 5.955 4.698 8.484 1.00 1.23 H new ATOM 405 N ALA A 30 4.796 7.514 7.344 1.00 1.00 N ATOM 406 CA ALA A 30 3.778 8.544 7.516 1.00 1.10 C ATOM 407 C ALA A 30 2.841 8.574 6.316 1.00 1.06 C ATOM 408 O ALA A 30 1.622 8.662 6.470 1.00 1.43 O ATOM 409 CB ALA A 30 4.440 9.908 7.690 1.00 1.27 C ATOM 0 H ALA A 30 5.233 7.506 6.423 1.00 1.00 H new ATOM 0 HA ALA A 30 3.196 8.311 8.408 1.00 1.10 H new ATOM 0 HB1 ALA A 30 3.672 10.671 7.818 1.00 1.27 H new ATOM 0 HB2 ALA A 30 5.084 9.890 8.569 1.00 1.27 H new ATOM 0 HB3 ALA A 30 5.037 10.138 6.807 1.00 1.27 H new ATOM 415 N ASN A 31 3.417 8.502 5.119 1.00 0.73 N ATOM 416 CA ASN A 31 2.636 8.523 3.886 1.00 0.69 C ATOM 417 C ASN A 31 1.489 7.521 3.957 1.00 0.60 C ATOM 418 O ASN A 31 0.376 7.806 3.512 1.00 0.58 O ATOM 419 CB ASN A 31 3.534 8.200 2.697 1.00 0.71 C ATOM 420 CG ASN A 31 4.393 9.406 2.340 1.00 1.24 C ATOM 421 OD1 ASN A 31 4.305 10.454 2.979 1.00 1.91 O ATOM 422 ND2 ASN A 31 5.226 9.257 1.317 1.00 1.42 N ATOM 0 H ASN A 31 4.424 8.428 4.977 1.00 0.73 H new ATOM 0 HA ASN A 31 2.216 9.521 3.760 1.00 0.69 H new ATOM 0 HB2 ASN A 31 4.172 7.349 2.935 1.00 0.71 H new ATOM 0 HB3 ASN A 31 2.925 7.912 1.840 1.00 0.71 H new ATOM 0 HD21 ASN A 31 5.827 10.030 1.032 1.00 1.42 H new ATOM 0 HD22 ASN A 31 5.265 8.369 0.816 1.00 1.42 H new ATOM 429 N ILE A 32 1.763 6.348 4.522 1.00 0.58 N ATOM 430 CA ILE A 32 0.749 5.306 4.653 1.00 0.56 C ATOM 431 C ILE A 32 -0.512 5.868 5.293 1.00 0.52 C ATOM 432 O ILE A 32 -1.626 5.461 4.961 1.00 0.51 O ATOM 433 CB ILE A 32 1.286 4.151 5.494 1.00 0.63 C ATOM 434 CG1 ILE A 32 2.058 4.674 6.703 1.00 0.70 C ATOM 435 CG2 ILE A 32 2.165 3.231 4.653 1.00 0.69 C ATOM 436 CD1 ILE A 32 1.538 4.072 8.006 1.00 1.07 C ATOM 0 H ILE A 32 2.678 6.096 4.896 1.00 0.58 H new ATOM 0 HA ILE A 32 0.503 4.937 3.657 1.00 0.56 H new ATOM 0 HB ILE A 32 0.436 3.573 5.856 1.00 0.63 H new ATOM 0 HG12 ILE A 32 3.116 4.438 6.589 1.00 0.70 H new ATOM 0 HG13 ILE A 32 1.976 5.760 6.745 1.00 0.70 H new ATOM 0 HG21 ILE A 32 2.536 2.415 5.273 1.00 0.69 H new ATOM 0 HG22 ILE A 32 1.580 2.823 3.829 1.00 0.69 H new ATOM 0 HG23 ILE A 32 3.007 3.797 4.255 1.00 0.69 H new ATOM 0 HD11 ILE A 32 2.112 4.468 8.844 1.00 1.07 H new ATOM 0 HD12 ILE A 32 0.487 4.330 8.132 1.00 1.07 H new ATOM 0 HD13 ILE A 32 1.644 2.988 7.974 1.00 1.07 H new ATOM 448 N ASN A 33 -0.330 6.812 6.212 1.00 0.56 N ATOM 449 CA ASN A 33 -1.450 7.439 6.900 1.00 0.59 C ATOM 450 C ASN A 33 -2.190 8.381 5.957 1.00 0.54 C ATOM 451 O ASN A 33 -3.414 8.499 6.016 1.00 0.55 O ATOM 452 CB ASN A 33 -0.949 8.209 8.117 1.00 0.71 C ATOM 453 CG ASN A 33 -1.888 8.003 9.299 1.00 0.97 C ATOM 454 OD1 ASN A 33 -1.555 7.304 10.255 1.00 1.51 O ATOM 455 ND2 ASN A 33 -3.067 8.613 9.234 1.00 1.62 N ATOM 0 H ASN A 33 0.586 7.159 6.497 1.00 0.56 H new ATOM 0 HA ASN A 33 -2.138 6.661 7.229 1.00 0.59 H new ATOM 0 HB2 ASN A 33 0.055 7.874 8.379 1.00 0.71 H new ATOM 0 HB3 ASN A 33 -0.879 9.271 7.880 1.00 0.71 H new ATOM 0 HD21 ASN A 33 -3.737 8.511 9.996 1.00 1.62 H new ATOM 0 HD22 ASN A 33 -3.302 9.184 8.422 1.00 1.62 H new ATOM 462 N ARG A 34 -1.438 9.048 5.087 1.00 0.55 N ATOM 463 CA ARG A 34 -2.019 9.980 4.127 1.00 0.56 C ATOM 464 C ARG A 34 -3.029 9.267 3.238 1.00 0.48 C ATOM 465 O ARG A 34 -4.170 9.709 3.102 1.00 0.48 O ATOM 466 CB ARG A 34 -0.920 10.601 3.270 1.00 0.65 C ATOM 467 CG ARG A 34 -0.476 11.953 3.821 1.00 0.89 C ATOM 468 CD ARG A 34 1.002 12.215 3.545 1.00 1.22 C ATOM 469 NE ARG A 34 1.279 12.111 2.117 1.00 1.69 N ATOM 470 CZ ARG A 34 1.378 13.188 1.344 1.00 2.27 C ATOM 471 NH1 ARG A 34 2.320 14.091 1.580 1.00 2.90 N ATOM 472 NH2 ARG A 34 0.537 13.360 0.334 1.00 2.78 N ATOM 0 H ARG A 34 -0.424 8.960 5.027 1.00 0.55 H new ATOM 0 HA ARG A 34 -2.532 10.769 4.676 1.00 0.56 H new ATOM 0 HB2 ARG A 34 -0.065 9.926 3.228 1.00 0.65 H new ATOM 0 HB3 ARG A 34 -1.280 10.724 2.248 1.00 0.65 H new ATOM 0 HG2 ARG A 34 -1.076 12.744 3.372 1.00 0.89 H new ATOM 0 HG3 ARG A 34 -0.657 11.986 4.895 1.00 0.89 H new ATOM 0 HD2 ARG A 34 1.275 13.208 3.903 1.00 1.22 H new ATOM 0 HD3 ARG A 34 1.613 11.499 4.094 1.00 1.22 H new ATOM 0 HE ARG A 34 1.400 11.188 1.700 1.00 1.69 H new ATOM 0 HH11 ARG A 34 2.970 13.960 2.355 1.00 2.90 H new ATOM 0 HH12 ARG A 34 2.395 14.917 0.986 1.00 2.90 H new ATOM 0 HH21 ARG A 34 -0.187 12.666 0.149 1.00 2.78 H new ATOM 0 HH22 ARG A 34 0.614 14.187 -0.258 1.00 2.78 H new ATOM 486 N ILE A 35 -2.606 8.160 2.637 1.00 0.45 N ATOM 487 CA ILE A 35 -3.476 7.383 1.762 1.00 0.40 C ATOM 488 C ILE A 35 -4.689 6.884 2.534 1.00 0.34 C ATOM 489 O ILE A 35 -5.829 7.140 2.151 1.00 0.34 O ATOM 490 CB ILE A 35 -2.708 6.201 1.177 1.00 0.41 C ATOM 491 CG1 ILE A 35 -1.415 6.674 0.517 1.00 0.54 C ATOM 492 CG2 ILE A 35 -3.570 5.435 0.179 1.00 0.40 C ATOM 493 CD1 ILE A 35 -1.679 7.775 -0.509 1.00 1.29 C ATOM 0 H ILE A 35 -1.665 7.780 2.740 1.00 0.45 H new ATOM 0 HA ILE A 35 -3.816 8.023 0.948 1.00 0.40 H new ATOM 0 HB ILE A 35 -2.451 5.526 1.993 1.00 0.41 H new ATOM 0 HG12 ILE A 35 -0.730 7.043 1.280 1.00 0.54 H new ATOM 0 HG13 ILE A 35 -0.925 5.831 0.030 1.00 0.54 H new ATOM 0 HG21 ILE A 35 -3.002 4.597 -0.225 1.00 0.40 H new ATOM 0 HG22 ILE A 35 -4.462 5.060 0.681 1.00 0.40 H new ATOM 0 HG23 ILE A 35 -3.863 6.100 -0.634 1.00 0.40 H new ATOM 0 HD11 ILE A 35 -0.736 8.087 -0.958 1.00 1.29 H new ATOM 0 HD12 ILE A 35 -2.344 7.397 -1.286 1.00 1.29 H new ATOM 0 HD13 ILE A 35 -2.146 8.628 -0.016 1.00 1.29 H new ATOM 505 N LYS A 36 -4.436 6.172 3.629 1.00 0.35 N ATOM 506 CA LYS A 36 -5.501 5.635 4.470 1.00 0.36 C ATOM 507 C LYS A 36 -6.564 6.694 4.739 1.00 0.39 C ATOM 508 O LYS A 36 -7.738 6.498 4.437 1.00 0.51 O ATOM 509 CB LYS A 36 -4.917 5.139 5.790 1.00 0.44 C ATOM 510 CG LYS A 36 -6.006 4.644 6.739 1.00 1.09 C ATOM 511 CD LYS A 36 -6.051 5.464 8.025 1.00 1.41 C ATOM 512 CE LYS A 36 -7.445 5.457 8.645 1.00 2.17 C ATOM 513 NZ LYS A 36 -7.627 6.599 9.583 1.00 2.76 N ATOM 0 H LYS A 36 -3.495 5.953 3.956 1.00 0.35 H new ATOM 0 HA LYS A 36 -5.969 4.802 3.945 1.00 0.36 H new ATOM 0 HB2 LYS A 36 -4.210 4.332 5.595 1.00 0.44 H new ATOM 0 HB3 LYS A 36 -4.358 5.945 6.266 1.00 0.44 H new ATOM 0 HG2 LYS A 36 -6.974 4.696 6.241 1.00 1.09 H new ATOM 0 HG3 LYS A 36 -5.828 3.596 6.982 1.00 1.09 H new ATOM 0 HD2 LYS A 36 -5.332 5.062 8.739 1.00 1.41 H new ATOM 0 HD3 LYS A 36 -5.751 6.490 7.814 1.00 1.41 H new ATOM 0 HE2 LYS A 36 -8.196 5.508 7.857 1.00 2.17 H new ATOM 0 HE3 LYS A 36 -7.604 4.519 9.176 1.00 2.17 H new ATOM 0 HZ1 LYS A 36 -8.584 6.566 9.988 1.00 2.76 H new ATOM 0 HZ2 LYS A 36 -6.925 6.535 10.348 1.00 2.76 H new ATOM 0 HZ3 LYS A 36 -7.499 7.494 9.069 1.00 2.76 H new ATOM 527 N ASP A 37 -6.142 7.816 5.308 1.00 0.40 N ATOM 528 CA ASP A 37 -7.060 8.909 5.618 1.00 0.45 C ATOM 529 C ASP A 37 -7.656 9.495 4.342 1.00 0.44 C ATOM 530 O ASP A 37 -8.726 10.103 4.370 1.00 0.60 O ATOM 531 CB ASP A 37 -6.330 9.999 6.395 1.00 0.51 C ATOM 532 CG ASP A 37 -7.310 11.075 6.844 1.00 0.82 C ATOM 533 OD1 ASP A 37 -8.078 10.822 7.795 1.00 1.37 O ATOM 534 OD2 ASP A 37 -7.307 12.170 6.242 1.00 1.56 O ATOM 0 H ASP A 37 -5.171 7.995 5.565 1.00 0.40 H new ATOM 0 HA ASP A 37 -7.871 8.512 6.228 1.00 0.45 H new ATOM 0 HB2 ASP A 37 -5.833 9.566 7.263 1.00 0.51 H new ATOM 0 HB3 ASP A 37 -5.554 10.442 5.771 1.00 0.51 H new ATOM 539 N GLN A 38 -6.955 9.317 3.226 1.00 0.41 N ATOM 540 CA GLN A 38 -7.411 9.837 1.941 1.00 0.46 C ATOM 541 C GLN A 38 -8.401 8.883 1.286 1.00 0.42 C ATOM 542 O GLN A 38 -9.590 9.182 1.176 1.00 0.68 O ATOM 543 CB GLN A 38 -6.216 10.048 1.018 1.00 0.54 C ATOM 544 CG GLN A 38 -6.616 10.734 -0.277 1.00 0.65 C ATOM 545 CD GLN A 38 -7.174 12.118 -0.004 1.00 1.05 C ATOM 546 OE1 GLN A 38 -8.262 12.266 0.553 1.00 1.65 O ATOM 547 NE2 GLN A 38 -6.432 13.134 -0.403 1.00 1.66 N ATOM 0 H GLN A 38 -6.068 8.816 3.186 1.00 0.41 H new ATOM 0 HA GLN A 38 -7.914 10.788 2.116 1.00 0.46 H new ATOM 0 HB2 GLN A 38 -5.463 10.648 1.530 1.00 0.54 H new ATOM 0 HB3 GLN A 38 -5.757 9.086 0.792 1.00 0.54 H new ATOM 0 HG2 GLN A 38 -5.751 10.809 -0.936 1.00 0.65 H new ATOM 0 HG3 GLN A 38 -7.362 10.133 -0.797 1.00 0.65 H new ATOM 0 HE21 GLN A 38 -5.537 12.963 -0.861 1.00 1.66 H new ATOM 0 HE22 GLN A 38 -6.754 14.090 -0.254 1.00 1.66 H new ATOM 556 N TYR A 39 -7.896 7.739 0.841 1.00 0.34 N ATOM 557 CA TYR A 39 -8.725 6.738 0.179 1.00 0.34 C ATOM 558 C TYR A 39 -9.477 5.866 1.184 1.00 0.30 C ATOM 559 O TYR A 39 -10.119 4.890 0.798 1.00 0.32 O ATOM 560 CB TYR A 39 -7.855 5.858 -0.716 1.00 0.39 C ATOM 561 CG TYR A 39 -7.201 6.622 -1.840 1.00 0.46 C ATOM 562 CD1 TYR A 39 -6.080 7.394 -1.597 1.00 0.53 C ATOM 563 CD2 TYR A 39 -7.723 6.553 -3.121 1.00 0.64 C ATOM 564 CE1 TYR A 39 -5.481 8.095 -2.629 1.00 0.62 C ATOM 565 CE2 TYR A 39 -7.124 7.254 -4.153 1.00 0.73 C ATOM 566 CZ TYR A 39 -6.002 8.024 -3.899 1.00 0.66 C ATOM 567 OH TYR A 39 -5.410 8.718 -4.930 1.00 0.77 O ATOM 0 H TYR A 39 -6.913 7.480 0.927 1.00 0.34 H new ATOM 0 HA TYR A 39 -9.465 7.265 -0.423 1.00 0.34 H new ATOM 0 HB2 TYR A 39 -7.083 5.384 -0.110 1.00 0.39 H new ATOM 0 HB3 TYR A 39 -8.467 5.059 -1.135 1.00 0.39 H new ATOM 0 HD1 TYR A 39 -5.671 7.450 -0.599 1.00 0.53 H new ATOM 0 HD2 TYR A 39 -8.599 5.951 -3.315 1.00 0.64 H new ATOM 0 HE1 TYR A 39 -4.605 8.697 -2.437 1.00 0.62 H new ATOM 0 HE2 TYR A 39 -7.530 7.201 -5.152 1.00 0.73 H new ATOM 0 HH TYR A 39 -5.905 8.556 -5.760 1.00 0.77 H new ATOM 577 N LYS A 40 -9.404 6.208 2.472 1.00 0.28 N ATOM 578 CA LYS A 40 -10.088 5.431 3.504 1.00 0.31 C ATOM 579 C LYS A 40 -9.740 3.956 3.360 1.00 0.29 C ATOM 580 O LYS A 40 -10.617 3.092 3.377 1.00 0.39 O ATOM 581 CB LYS A 40 -11.598 5.625 3.385 1.00 0.38 C ATOM 582 CG LYS A 40 -12.035 6.972 3.952 1.00 0.86 C ATOM 583 CD LYS A 40 -12.473 6.854 5.408 1.00 1.29 C ATOM 584 CE LYS A 40 -12.570 8.222 6.077 1.00 1.88 C ATOM 585 NZ LYS A 40 -11.398 8.477 6.958 1.00 2.56 N ATOM 0 H LYS A 40 -8.882 7.011 2.822 1.00 0.28 H new ATOM 0 HA LYS A 40 -9.762 5.777 4.485 1.00 0.31 H new ATOM 0 HB2 LYS A 40 -11.893 5.557 2.338 1.00 0.38 H new ATOM 0 HB3 LYS A 40 -12.112 4.822 3.914 1.00 0.38 H new ATOM 0 HG2 LYS A 40 -11.213 7.683 3.876 1.00 0.86 H new ATOM 0 HG3 LYS A 40 -12.856 7.369 3.356 1.00 0.86 H new ATOM 0 HD2 LYS A 40 -13.440 6.354 5.458 1.00 1.29 H new ATOM 0 HD3 LYS A 40 -11.764 6.231 5.953 1.00 1.29 H new ATOM 0 HE2 LYS A 40 -12.630 8.999 5.315 1.00 1.88 H new ATOM 0 HE3 LYS A 40 -13.487 8.278 6.663 1.00 1.88 H new ATOM 0 HZ1 LYS A 40 -11.492 9.414 7.399 1.00 2.56 H new ATOM 0 HZ2 LYS A 40 -11.356 7.749 7.699 1.00 2.56 H new ATOM 0 HZ3 LYS A 40 -10.526 8.447 6.393 1.00 2.56 H new ATOM 599 N VAL A 41 -8.450 3.681 3.196 1.00 0.23 N ATOM 600 CA VAL A 41 -7.968 2.317 3.023 1.00 0.23 C ATOM 601 C VAL A 41 -6.950 1.957 4.096 1.00 0.27 C ATOM 602 O VAL A 41 -6.723 2.724 5.031 1.00 0.33 O ATOM 603 CB VAL A 41 -7.342 2.185 1.641 1.00 0.23 C ATOM 604 CG1 VAL A 41 -8.418 2.246 0.566 1.00 0.25 C ATOM 605 CG2 VAL A 41 -6.300 3.278 1.415 1.00 0.23 C ATOM 0 H VAL A 41 -7.717 4.390 3.179 1.00 0.23 H new ATOM 0 HA VAL A 41 -8.808 1.629 3.117 1.00 0.23 H new ATOM 0 HB VAL A 41 -6.842 1.218 1.580 1.00 0.23 H new ATOM 0 HG11 VAL A 41 -7.956 2.150 -0.417 1.00 0.25 H new ATOM 0 HG12 VAL A 41 -9.127 1.432 0.714 1.00 0.25 H new ATOM 0 HG13 VAL A 41 -8.942 3.200 0.629 1.00 0.25 H new ATOM 0 HG21 VAL A 41 -5.865 3.166 0.422 1.00 0.23 H new ATOM 0 HG22 VAL A 41 -6.775 4.256 1.495 1.00 0.23 H new ATOM 0 HG23 VAL A 41 -5.515 3.194 2.167 1.00 0.23 H new ATOM 615 N SER A 42 -6.339 0.783 3.959 1.00 0.29 N ATOM 616 CA SER A 42 -5.346 0.317 4.920 1.00 0.34 C ATOM 617 C SER A 42 -4.096 -0.180 4.204 1.00 0.30 C ATOM 618 O SER A 42 -4.026 -1.337 3.790 1.00 0.36 O ATOM 619 CB SER A 42 -5.932 -0.803 5.771 1.00 0.43 C ATOM 620 OG SER A 42 -5.097 -1.062 6.890 1.00 0.93 O ATOM 0 H SER A 42 -6.515 0.137 3.190 1.00 0.29 H new ATOM 0 HA SER A 42 -5.070 1.153 5.563 1.00 0.34 H new ATOM 0 HB2 SER A 42 -6.930 -0.527 6.110 1.00 0.43 H new ATOM 0 HB3 SER A 42 -6.038 -1.707 5.171 1.00 0.43 H new ATOM 0 HG SER A 42 -4.919 -2.024 6.950 1.00 0.93 H new ATOM 626 N VAL A 43 -3.108 0.699 4.067 1.00 0.33 N ATOM 627 CA VAL A 43 -1.855 0.348 3.407 1.00 0.34 C ATOM 628 C VAL A 43 -0.828 -0.112 4.436 1.00 0.35 C ATOM 629 O VAL A 43 -0.689 0.495 5.498 1.00 0.55 O ATOM 630 CB VAL A 43 -1.320 1.549 2.631 1.00 0.49 C ATOM 631 CG1 VAL A 43 0.009 1.212 1.963 1.00 0.54 C ATOM 632 CG2 VAL A 43 -2.338 2.020 1.598 1.00 1.25 C ATOM 0 H VAL A 43 -3.151 1.661 4.405 1.00 0.33 H new ATOM 0 HA VAL A 43 -2.041 -0.469 2.710 1.00 0.34 H new ATOM 0 HB VAL A 43 -1.149 2.362 3.337 1.00 0.49 H new ATOM 0 HG11 VAL A 43 0.372 2.082 1.416 1.00 0.54 H new ATOM 0 HG12 VAL A 43 0.738 0.932 2.724 1.00 0.54 H new ATOM 0 HG13 VAL A 43 -0.132 0.381 1.272 1.00 0.54 H new ATOM 0 HG21 VAL A 43 -1.937 2.877 1.056 1.00 1.25 H new ATOM 0 HG22 VAL A 43 -2.545 1.212 0.897 1.00 1.25 H new ATOM 0 HG23 VAL A 43 -3.260 2.309 2.102 1.00 1.25 H new ATOM 642 N ARG A 44 -0.116 -1.191 4.122 1.00 0.31 N ATOM 643 CA ARG A 44 0.889 -1.732 5.030 1.00 0.42 C ATOM 644 C ARG A 44 2.185 -2.047 4.291 1.00 0.40 C ATOM 645 O ARG A 44 2.183 -2.764 3.290 1.00 0.41 O ATOM 646 CB ARG A 44 0.361 -2.999 5.697 1.00 0.52 C ATOM 647 CG ARG A 44 -1.098 -2.849 6.125 1.00 0.78 C ATOM 648 CD ARG A 44 -1.229 -2.003 7.388 1.00 1.05 C ATOM 649 NE ARG A 44 -2.261 -2.551 8.262 1.00 1.31 N ATOM 650 CZ ARG A 44 -2.754 -1.855 9.280 1.00 1.74 C ATOM 651 NH1 ARG A 44 -1.947 -1.131 10.044 1.00 2.27 N ATOM 652 NH2 ARG A 44 -4.055 -1.882 9.536 1.00 2.28 N ATOM 0 H ARG A 44 -0.217 -1.706 3.248 1.00 0.31 H new ATOM 0 HA ARG A 44 1.099 -0.978 5.789 1.00 0.42 H new ATOM 0 HB2 ARG A 44 0.453 -3.838 5.007 1.00 0.52 H new ATOM 0 HB3 ARG A 44 0.973 -3.233 6.568 1.00 0.52 H new ATOM 0 HG2 ARG A 44 -1.669 -2.390 5.318 1.00 0.78 H new ATOM 0 HG3 ARG A 44 -1.530 -3.835 6.300 1.00 0.78 H new ATOM 0 HD2 ARG A 44 -0.275 -1.974 7.915 1.00 1.05 H new ATOM 0 HD3 ARG A 44 -1.477 -0.976 7.121 1.00 1.05 H new ATOM 0 HE ARG A 44 -2.613 -3.492 8.087 1.00 1.31 H new ATOM 0 HH11 ARG A 44 -0.946 -1.108 9.850 1.00 2.27 H new ATOM 0 HH12 ARG A 44 -2.328 -0.597 10.825 1.00 2.27 H new ATOM 0 HH21 ARG A 44 -4.679 -2.438 8.951 1.00 2.28 H new ATOM 0 HH22 ARG A 44 -4.432 -1.347 10.318 1.00 2.28 H new ATOM 666 N ILE A 45 3.292 -1.513 4.799 1.00 0.46 N ATOM 667 CA ILE A 45 4.606 -1.736 4.203 1.00 0.47 C ATOM 668 C ILE A 45 5.372 -2.785 5.018 1.00 0.53 C ATOM 669 O ILE A 45 5.900 -2.484 6.088 1.00 0.64 O ATOM 670 CB ILE A 45 5.375 -0.405 4.152 1.00 0.56 C ATOM 671 CG1 ILE A 45 4.836 0.476 3.025 1.00 0.59 C ATOM 672 CG2 ILE A 45 6.883 -0.609 3.984 1.00 0.60 C ATOM 673 CD1 ILE A 45 5.182 -0.088 1.647 1.00 0.56 C ATOM 0 H ILE A 45 3.305 -0.919 5.628 1.00 0.46 H new ATOM 0 HA ILE A 45 4.494 -2.111 3.186 1.00 0.47 H new ATOM 0 HB ILE A 45 5.219 0.092 5.110 1.00 0.56 H new ATOM 0 HG12 ILE A 45 3.754 0.565 3.120 1.00 0.59 H new ATOM 0 HG13 ILE A 45 5.248 1.481 3.120 1.00 0.59 H new ATOM 0 HG21 ILE A 45 7.380 0.361 3.954 1.00 0.60 H new ATOM 0 HG22 ILE A 45 7.268 -1.188 4.824 1.00 0.60 H new ATOM 0 HG23 ILE A 45 7.076 -1.145 3.055 1.00 0.60 H new ATOM 0 HD11 ILE A 45 4.781 0.568 0.874 1.00 0.56 H new ATOM 0 HD12 ILE A 45 6.265 -0.153 1.542 1.00 0.56 H new ATOM 0 HD13 ILE A 45 4.747 -1.082 1.541 1.00 0.56 H new ATOM 685 N PRO A 46 5.442 -4.034 4.520 1.00 0.48 N ATOM 686 CA PRO A 46 6.147 -5.119 5.215 1.00 0.58 C ATOM 687 C PRO A 46 7.663 -5.017 5.054 1.00 0.61 C ATOM 688 O PRO A 46 8.189 -5.184 3.952 1.00 0.56 O ATOM 689 CB PRO A 46 5.609 -6.381 4.547 1.00 0.57 C ATOM 690 CG PRO A 46 5.166 -5.954 3.186 1.00 0.47 C ATOM 691 CD PRO A 46 4.840 -4.484 3.254 1.00 0.41 C ATOM 0 HA PRO A 46 5.978 -5.096 6.292 1.00 0.58 H new ATOM 0 HB2 PRO A 46 6.378 -7.151 4.486 1.00 0.57 H new ATOM 0 HB3 PRO A 46 4.780 -6.803 5.115 1.00 0.57 H new ATOM 0 HG2 PRO A 46 5.951 -6.139 2.452 1.00 0.47 H new ATOM 0 HG3 PRO A 46 4.293 -6.526 2.870 1.00 0.47 H new ATOM 0 HD2 PRO A 46 5.256 -3.945 2.403 1.00 0.41 H new ATOM 0 HD3 PRO A 46 3.763 -4.315 3.244 1.00 0.41 H new ATOM 699 N PRO A 47 8.392 -4.739 6.151 1.00 0.74 N ATOM 700 CA PRO A 47 9.851 -4.616 6.111 1.00 0.81 C ATOM 701 C PRO A 47 10.543 -5.976 6.127 1.00 0.87 C ATOM 702 O PRO A 47 9.899 -7.014 5.980 1.00 1.53 O ATOM 703 CB PRO A 47 10.176 -3.818 7.370 1.00 0.98 C ATOM 704 CG PRO A 47 9.048 -4.079 8.316 1.00 1.03 C ATOM 705 CD PRO A 47 7.854 -4.520 7.503 1.00 0.85 C ATOM 0 HA PRO A 47 10.200 -4.137 5.196 1.00 0.81 H new ATOM 0 HB2 PRO A 47 11.127 -4.133 7.799 1.00 0.98 H new ATOM 0 HB3 PRO A 47 10.263 -2.754 7.148 1.00 0.98 H new ATOM 0 HG2 PRO A 47 9.324 -4.849 9.037 1.00 1.03 H new ATOM 0 HG3 PRO A 47 8.811 -3.180 8.885 1.00 1.03 H new ATOM 0 HD2 PRO A 47 7.413 -5.431 7.907 1.00 0.85 H new ATOM 0 HD3 PRO A 47 7.072 -3.761 7.501 1.00 0.85 H new ATOM 713 N ASP A 48 11.860 -5.960 6.308 1.00 1.32 N ATOM 714 CA ASP A 48 12.648 -7.187 6.348 1.00 1.46 C ATOM 715 C ASP A 48 12.576 -7.916 5.013 1.00 1.48 C ATOM 716 O ASP A 48 12.026 -7.400 4.041 1.00 2.18 O ATOM 717 CB ASP A 48 12.141 -8.097 7.462 1.00 2.16 C ATOM 718 CG ASP A 48 10.619 -8.139 7.462 1.00 2.56 C ATOM 719 OD1 ASP A 48 10.023 -8.082 6.366 1.00 3.03 O ATOM 720 OD2 ASP A 48 10.024 -8.229 8.557 1.00 3.01 O ATOM 0 H ASP A 48 12.406 -5.107 6.430 1.00 1.32 H new ATOM 0 HA ASP A 48 13.687 -6.922 6.544 1.00 1.46 H new ATOM 0 HB2 ASP A 48 12.539 -9.103 7.328 1.00 2.16 H new ATOM 0 HB3 ASP A 48 12.501 -7.738 8.426 1.00 2.16 H new ATOM 725 N SER A 49 13.135 -9.121 4.973 1.00 1.59 N ATOM 726 CA SER A 49 13.136 -9.927 3.758 1.00 2.11 C ATOM 727 C SER A 49 13.964 -9.257 2.668 1.00 1.90 C ATOM 728 O SER A 49 13.433 -8.522 1.836 1.00 2.33 O ATOM 729 CB SER A 49 11.705 -10.129 3.269 1.00 3.03 C ATOM 730 OG SER A 49 11.677 -11.020 2.164 1.00 3.81 O ATOM 0 H SER A 49 13.594 -9.562 5.770 1.00 1.59 H new ATOM 0 HA SER A 49 13.581 -10.895 3.986 1.00 2.11 H new ATOM 0 HB2 SER A 49 11.091 -10.524 4.078 1.00 3.03 H new ATOM 0 HB3 SER A 49 11.274 -9.170 2.981 1.00 3.03 H new ATOM 0 HG SER A 49 10.752 -11.140 1.864 1.00 3.81 H new ATOM 736 N GLU A 50 15.268 -9.519 2.675 1.00 1.92 N ATOM 737 CA GLU A 50 16.170 -8.944 1.682 1.00 2.27 C ATOM 738 C GLU A 50 15.984 -9.629 0.337 1.00 2.09 C ATOM 739 O GLU A 50 16.903 -10.262 -0.184 1.00 2.74 O ATOM 740 CB GLU A 50 17.617 -9.089 2.144 1.00 3.06 C ATOM 741 CG GLU A 50 18.538 -8.109 1.424 1.00 3.83 C ATOM 742 CD GLU A 50 17.770 -6.856 1.023 1.00 4.43 C ATOM 743 OE1 GLU A 50 17.075 -6.890 -0.013 1.00 4.97 O ATOM 744 OE2 GLU A 50 17.866 -5.843 1.748 1.00 4.75 O ATOM 0 H GLU A 50 15.723 -10.126 3.357 1.00 1.92 H new ATOM 0 HA GLU A 50 15.936 -7.885 1.571 1.00 2.27 H new ATOM 0 HB2 GLU A 50 17.675 -8.920 3.219 1.00 3.06 H new ATOM 0 HB3 GLU A 50 17.957 -10.109 1.963 1.00 3.06 H new ATOM 0 HG2 GLU A 50 19.372 -7.840 2.072 1.00 3.83 H new ATOM 0 HG3 GLU A 50 18.962 -8.582 0.539 1.00 3.83 H new ATOM 751 N LYS A 51 14.785 -9.502 -0.221 1.00 1.76 N ATOM 752 CA LYS A 51 14.467 -10.107 -1.509 1.00 1.77 C ATOM 753 C LYS A 51 13.253 -9.425 -2.125 1.00 1.55 C ATOM 754 O LYS A 51 12.921 -8.294 -1.769 1.00 2.20 O ATOM 755 CB LYS A 51 14.192 -11.598 -1.328 1.00 2.14 C ATOM 756 CG LYS A 51 14.789 -12.421 -2.466 1.00 2.60 C ATOM 757 CD LYS A 51 14.044 -13.739 -2.656 1.00 3.36 C ATOM 758 CE LYS A 51 14.260 -14.311 -4.054 1.00 4.12 C ATOM 759 NZ LYS A 51 13.360 -13.663 -5.049 1.00 4.81 N ATOM 0 H LYS A 51 14.015 -8.983 0.201 1.00 1.76 H new ATOM 0 HA LYS A 51 15.318 -9.980 -2.178 1.00 1.77 H new ATOM 0 HB2 LYS A 51 14.609 -11.933 -0.378 1.00 2.14 H new ATOM 0 HB3 LYS A 51 13.116 -11.767 -1.281 1.00 2.14 H new ATOM 0 HG2 LYS A 51 14.752 -11.845 -3.391 1.00 2.60 H new ATOM 0 HG3 LYS A 51 15.840 -12.623 -2.258 1.00 2.60 H new ATOM 0 HD2 LYS A 51 14.383 -14.459 -1.911 1.00 3.36 H new ATOM 0 HD3 LYS A 51 12.979 -13.583 -2.487 1.00 3.36 H new ATOM 0 HE2 LYS A 51 15.299 -14.167 -4.352 1.00 4.12 H new ATOM 0 HE3 LYS A 51 14.078 -15.386 -4.042 1.00 4.12 H new ATOM 0 HZ1 LYS A 51 13.889 -13.472 -5.924 1.00 4.81 H new ATOM 0 HZ2 LYS A 51 12.561 -14.295 -5.258 1.00 4.81 H new ATOM 0 HZ3 LYS A 51 13.000 -12.768 -4.660 1.00 4.81 H new ATOM 773 N SER A 52 12.587 -10.114 -3.049 1.00 1.19 N ATOM 774 CA SER A 52 11.405 -9.566 -3.709 1.00 1.04 C ATOM 775 C SER A 52 10.422 -9.025 -2.678 1.00 0.92 C ATOM 776 O SER A 52 9.906 -9.771 -1.845 1.00 1.19 O ATOM 777 CB SER A 52 10.730 -10.644 -4.552 1.00 1.25 C ATOM 778 OG SER A 52 11.657 -11.224 -5.456 1.00 2.03 O ATOM 0 H SER A 52 12.845 -11.051 -3.357 1.00 1.19 H new ATOM 0 HA SER A 52 11.718 -8.748 -4.358 1.00 1.04 H new ATOM 0 HB2 SER A 52 10.316 -11.415 -3.902 1.00 1.25 H new ATOM 0 HB3 SER A 52 9.896 -10.212 -5.105 1.00 1.25 H new ATOM 0 HG SER A 52 11.208 -11.914 -5.987 1.00 2.03 H new ATOM 784 N ASN A 53 10.167 -7.723 -2.738 1.00 0.68 N ATOM 785 CA ASN A 53 9.249 -7.079 -1.811 1.00 0.61 C ATOM 786 C ASN A 53 7.809 -7.382 -2.191 1.00 0.59 C ATOM 787 O ASN A 53 7.536 -7.916 -3.266 1.00 0.99 O ATOM 788 CB ASN A 53 9.480 -5.571 -1.813 1.00 0.60 C ATOM 789 CG ASN A 53 10.944 -5.262 -1.529 1.00 0.89 C ATOM 790 OD1 ASN A 53 11.798 -6.147 -1.579 1.00 1.68 O ATOM 791 ND2 ASN A 53 11.236 -4.001 -1.227 1.00 1.28 N ATOM 0 H ASN A 53 10.585 -7.092 -3.422 1.00 0.68 H new ATOM 0 HA ASN A 53 9.435 -7.469 -0.810 1.00 0.61 H new ATOM 0 HB2 ASN A 53 9.193 -5.153 -2.778 1.00 0.60 H new ATOM 0 HB3 ASN A 53 8.849 -5.098 -1.061 1.00 0.60 H new ATOM 0 HD21 ASN A 53 12.200 -3.735 -1.025 1.00 1.28 H new ATOM 0 HD22 ASN A 53 10.496 -3.299 -1.197 1.00 1.28 H new ATOM 798 N LEU A 54 6.889 -7.034 -1.302 1.00 0.55 N ATOM 799 CA LEU A 54 5.469 -7.263 -1.535 1.00 0.51 C ATOM 800 C LEU A 54 4.631 -6.490 -0.525 1.00 0.44 C ATOM 801 O LEU A 54 4.447 -6.931 0.611 1.00 0.57 O ATOM 802 CB LEU A 54 5.153 -8.750 -1.438 1.00 0.65 C ATOM 803 CG LEU A 54 3.782 -9.067 -2.024 1.00 0.82 C ATOM 804 CD1 LEU A 54 3.820 -10.365 -2.822 1.00 1.49 C ATOM 805 CD2 LEU A 54 2.727 -9.138 -0.925 1.00 1.49 C ATOM 0 H LEU A 54 7.102 -6.590 -0.409 1.00 0.55 H new ATOM 0 HA LEU A 54 5.224 -6.911 -2.537 1.00 0.51 H new ATOM 0 HB2 LEU A 54 5.917 -9.321 -1.966 1.00 0.65 H new ATOM 0 HB3 LEU A 54 5.185 -9.063 -0.394 1.00 0.65 H new ATOM 0 HG LEU A 54 3.510 -8.260 -2.704 1.00 0.82 H new ATOM 0 HD11 LEU A 54 2.830 -10.570 -3.230 1.00 1.49 H new ATOM 0 HD12 LEU A 54 4.537 -10.270 -3.638 1.00 1.49 H new ATOM 0 HD13 LEU A 54 4.120 -11.185 -2.169 1.00 1.49 H new ATOM 0 HD21 LEU A 54 1.757 -9.365 -1.366 1.00 1.49 H new ATOM 0 HD22 LEU A 54 2.994 -9.920 -0.214 1.00 1.49 H new ATOM 0 HD23 LEU A 54 2.675 -8.180 -0.408 1.00 1.49 H new ATOM 817 N ILE A 55 4.126 -5.334 -0.943 1.00 0.31 N ATOM 818 CA ILE A 55 3.307 -4.497 -0.075 1.00 0.26 C ATOM 819 C ILE A 55 1.876 -5.016 -0.027 1.00 0.27 C ATOM 820 O ILE A 55 1.379 -5.584 -1.001 1.00 0.34 O ATOM 821 CB ILE A 55 3.321 -3.058 -0.578 1.00 0.27 C ATOM 822 CG1 ILE A 55 4.750 -2.523 -0.632 1.00 0.31 C ATOM 823 CG2 ILE A 55 2.449 -2.166 0.299 1.00 0.31 C ATOM 824 CD1 ILE A 55 4.825 -1.198 -1.385 1.00 0.35 C ATOM 0 H ILE A 55 4.270 -4.955 -1.879 1.00 0.31 H new ATOM 0 HA ILE A 55 3.722 -4.530 0.932 1.00 0.26 H new ATOM 0 HB ILE A 55 2.909 -3.048 -1.587 1.00 0.27 H new ATOM 0 HG12 ILE A 55 5.127 -2.388 0.382 1.00 0.31 H new ATOM 0 HG13 ILE A 55 5.395 -3.255 -1.117 1.00 0.31 H new ATOM 0 HG21 ILE A 55 2.476 -1.145 -0.081 1.00 0.31 H new ATOM 0 HG22 ILE A 55 1.422 -2.532 0.283 1.00 0.31 H new ATOM 0 HG23 ILE A 55 2.825 -2.183 1.322 1.00 0.31 H new ATOM 0 HD11 ILE A 55 5.857 -0.848 -1.403 1.00 0.35 H new ATOM 0 HD12 ILE A 55 4.472 -1.340 -2.406 1.00 0.35 H new ATOM 0 HD13 ILE A 55 4.200 -0.459 -0.884 1.00 0.35 H new ATOM 836 N ARG A 56 1.219 -4.823 1.111 1.00 0.29 N ATOM 837 CA ARG A 56 -0.157 -5.276 1.287 1.00 0.32 C ATOM 838 C ARG A 56 -1.114 -4.094 1.347 1.00 0.29 C ATOM 839 O ARG A 56 -0.843 -3.094 2.011 1.00 0.42 O ATOM 840 CB ARG A 56 -0.275 -6.098 2.566 1.00 0.42 C ATOM 841 CG ARG A 56 0.270 -7.510 2.379 1.00 0.55 C ATOM 842 CD ARG A 56 1.179 -7.918 3.534 1.00 0.84 C ATOM 843 NE ARG A 56 1.468 -9.346 3.473 1.00 1.44 N ATOM 844 CZ ARG A 56 2.294 -9.853 2.563 1.00 1.77 C ATOM 845 NH1 ARG A 56 3.551 -9.435 2.497 1.00 2.19 N ATOM 846 NH2 ARG A 56 1.863 -10.780 1.717 1.00 2.33 N ATOM 0 H ARG A 56 1.616 -4.356 1.926 1.00 0.29 H new ATOM 0 HA ARG A 56 -0.425 -5.895 0.431 1.00 0.32 H new ATOM 0 HB2 ARG A 56 0.268 -5.601 3.370 1.00 0.42 H new ATOM 0 HB3 ARG A 56 -1.320 -6.148 2.872 1.00 0.42 H new ATOM 0 HG2 ARG A 56 -0.559 -8.213 2.302 1.00 0.55 H new ATOM 0 HG3 ARG A 56 0.824 -7.566 1.442 1.00 0.55 H new ATOM 0 HD2 ARG A 56 2.108 -7.350 3.492 1.00 0.84 H new ATOM 0 HD3 ARG A 56 0.701 -7.677 4.484 1.00 0.84 H new ATOM 0 HE ARG A 56 1.025 -9.972 4.146 1.00 1.44 H new ATOM 0 HH11 ARG A 56 3.886 -8.723 3.146 1.00 2.19 H new ATOM 0 HH12 ARG A 56 4.182 -9.826 1.798 1.00 2.19 H new ATOM 0 HH21 ARG A 56 0.897 -11.104 1.764 1.00 2.33 H new ATOM 0 HH22 ARG A 56 2.498 -11.168 1.019 1.00 2.33 H new ATOM 860 N ILE A 57 -2.238 -4.221 0.652 1.00 0.24 N ATOM 861 CA ILE A 57 -3.248 -3.170 0.624 1.00 0.24 C ATOM 862 C ILE A 57 -4.637 -3.768 0.808 1.00 0.26 C ATOM 863 O ILE A 57 -4.948 -4.818 0.249 1.00 0.40 O ATOM 864 CB ILE A 57 -3.187 -2.417 -0.700 1.00 0.26 C ATOM 865 CG1 ILE A 57 -1.741 -2.108 -1.077 1.00 0.28 C ATOM 866 CG2 ILE A 57 -4.009 -1.135 -0.629 1.00 0.35 C ATOM 867 CD1 ILE A 57 -1.103 -1.123 -0.103 1.00 1.32 C ATOM 0 H ILE A 57 -2.474 -5.045 0.098 1.00 0.24 H new ATOM 0 HA ILE A 57 -3.047 -2.476 1.440 1.00 0.24 H new ATOM 0 HB ILE A 57 -3.614 -3.054 -1.475 1.00 0.26 H new ATOM 0 HG12 ILE A 57 -1.163 -3.032 -1.091 1.00 0.28 H new ATOM 0 HG13 ILE A 57 -1.708 -1.696 -2.086 1.00 0.28 H new ATOM 0 HG21 ILE A 57 -3.952 -0.613 -1.584 1.00 0.35 H new ATOM 0 HG22 ILE A 57 -5.048 -1.381 -0.411 1.00 0.35 H new ATOM 0 HG23 ILE A 57 -3.615 -0.493 0.159 1.00 0.35 H new ATOM 0 HD11 ILE A 57 -0.074 -0.928 -0.405 1.00 1.32 H new ATOM 0 HD12 ILE A 57 -1.666 -0.190 -0.109 1.00 1.32 H new ATOM 0 HD13 ILE A 57 -1.113 -1.547 0.901 1.00 1.32 H new ATOM 879 N GLU A 58 -5.470 -3.097 1.595 1.00 0.23 N ATOM 880 CA GLU A 58 -6.825 -3.573 1.845 1.00 0.25 C ATOM 881 C GLU A 58 -7.701 -2.456 2.392 1.00 0.24 C ATOM 882 O GLU A 58 -7.288 -1.692 3.264 1.00 0.26 O ATOM 883 CB GLU A 58 -6.797 -4.738 2.830 1.00 0.32 C ATOM 884 CG GLU A 58 -8.197 -5.286 3.092 1.00 0.37 C ATOM 885 CD GLU A 58 -8.247 -5.986 4.444 1.00 0.82 C ATOM 886 OE1 GLU A 58 -8.314 -5.284 5.475 1.00 1.47 O ATOM 887 OE2 GLU A 58 -8.219 -7.234 4.470 1.00 1.56 O ATOM 0 H GLU A 58 -5.232 -2.226 2.069 1.00 0.23 H new ATOM 0 HA GLU A 58 -7.247 -3.911 0.899 1.00 0.25 H new ATOM 0 HB2 GLU A 58 -6.162 -5.532 2.437 1.00 0.32 H new ATOM 0 HB3 GLU A 58 -6.352 -4.410 3.770 1.00 0.32 H new ATOM 0 HG2 GLU A 58 -8.923 -4.473 3.069 1.00 0.37 H new ATOM 0 HG3 GLU A 58 -8.475 -5.985 2.303 1.00 0.37 H new ATOM 894 N GLY A 59 -8.917 -2.376 1.869 1.00 0.25 N ATOM 895 CA GLY A 59 -9.876 -1.367 2.283 1.00 0.27 C ATOM 896 C GLY A 59 -11.284 -1.921 2.163 1.00 0.39 C ATOM 897 O GLY A 59 -11.554 -3.041 2.596 1.00 0.59 O ATOM 0 H GLY A 59 -9.264 -3.008 1.148 1.00 0.25 H new ATOM 0 HA2 GLY A 59 -9.680 -1.065 3.312 1.00 0.27 H new ATOM 0 HA3 GLY A 59 -9.771 -0.476 1.664 1.00 0.27 H new ATOM 901 N ASP A 60 -12.185 -1.146 1.572 1.00 0.53 N ATOM 902 CA ASP A 60 -13.551 -1.597 1.409 1.00 0.70 C ATOM 903 C ASP A 60 -14.155 -1.135 0.087 1.00 0.59 C ATOM 904 O ASP A 60 -14.629 -1.957 -0.698 1.00 1.04 O ATOM 905 CB ASP A 60 -14.397 -1.098 2.567 1.00 1.22 C ATOM 906 CG ASP A 60 -15.276 -2.219 3.109 1.00 1.93 C ATOM 907 OD1 ASP A 60 -16.364 -2.451 2.541 1.00 2.66 O ATOM 908 OD2 ASP A 60 -14.874 -2.862 4.101 1.00 2.31 O ATOM 0 H ASP A 60 -11.993 -0.214 1.204 1.00 0.53 H new ATOM 0 HA ASP A 60 -13.540 -2.687 1.399 1.00 0.70 H new ATOM 0 HB2 ASP A 60 -13.752 -0.719 3.359 1.00 1.22 H new ATOM 0 HB3 ASP A 60 -15.020 -0.266 2.238 1.00 1.22 H new ATOM 913 N PRO A 61 -14.169 0.182 -0.186 1.00 0.72 N ATOM 914 CA PRO A 61 -14.738 0.715 -1.414 1.00 1.14 C ATOM 915 C PRO A 61 -13.693 0.869 -2.508 1.00 0.88 C ATOM 916 O PRO A 61 -12.582 0.353 -2.397 1.00 1.22 O ATOM 917 CB PRO A 61 -15.288 2.067 -0.962 1.00 1.82 C ATOM 918 CG PRO A 61 -14.483 2.457 0.246 1.00 1.82 C ATOM 919 CD PRO A 61 -13.652 1.268 0.658 1.00 1.17 C ATOM 0 HA PRO A 61 -15.493 0.064 -1.856 1.00 1.14 H new ATOM 0 HB2 PRO A 61 -15.192 2.812 -1.752 1.00 1.82 H new ATOM 0 HB3 PRO A 61 -16.348 1.996 -0.718 1.00 1.82 H new ATOM 0 HG2 PRO A 61 -13.842 3.309 0.018 1.00 1.82 H new ATOM 0 HG3 PRO A 61 -15.141 2.762 1.060 1.00 1.82 H new ATOM 0 HD2 PRO A 61 -12.590 1.441 0.485 1.00 1.17 H new ATOM 0 HD3 PRO A 61 -13.770 1.044 1.718 1.00 1.17 H new ATOM 927 N GLN A 62 -14.053 1.585 -3.566 1.00 0.64 N ATOM 928 CA GLN A 62 -13.143 1.810 -4.679 1.00 0.47 C ATOM 929 C GLN A 62 -11.812 2.363 -4.180 1.00 0.41 C ATOM 930 O GLN A 62 -10.789 2.235 -4.849 1.00 0.47 O ATOM 931 CB GLN A 62 -13.771 2.783 -5.673 1.00 0.69 C ATOM 932 CG GLN A 62 -15.140 2.299 -6.140 1.00 0.85 C ATOM 933 CD GLN A 62 -15.286 2.492 -7.643 1.00 1.34 C ATOM 934 OE1 GLN A 62 -14.316 2.379 -8.392 1.00 2.14 O ATOM 935 NE2 GLN A 62 -16.503 2.786 -8.087 1.00 1.73 N ATOM 0 H GLN A 62 -14.969 2.019 -3.676 1.00 0.64 H new ATOM 0 HA GLN A 62 -12.958 0.857 -5.176 1.00 0.47 H new ATOM 0 HB2 GLN A 62 -13.870 3.765 -5.210 1.00 0.69 H new ATOM 0 HB3 GLN A 62 -13.113 2.901 -6.534 1.00 0.69 H new ATOM 0 HG2 GLN A 62 -15.266 1.246 -5.888 1.00 0.85 H new ATOM 0 HG3 GLN A 62 -15.924 2.848 -5.618 1.00 0.85 H new ATOM 0 HE21 GLN A 62 -17.279 2.870 -7.430 1.00 1.73 H new ATOM 0 HE22 GLN A 62 -16.662 2.928 -9.085 1.00 1.73 H new ATOM 944 N GLY A 63 -11.835 2.986 -3.006 1.00 0.37 N ATOM 945 CA GLY A 63 -10.636 3.570 -2.418 1.00 0.34 C ATOM 946 C GLY A 63 -9.474 2.580 -2.377 1.00 0.27 C ATOM 947 O GLY A 63 -8.341 2.939 -2.696 1.00 0.29 O ATOM 0 H GLY A 63 -12.676 3.099 -2.441 1.00 0.37 H new ATOM 0 HA2 GLY A 63 -10.343 4.449 -2.992 1.00 0.34 H new ATOM 0 HA3 GLY A 63 -10.858 3.910 -1.406 1.00 0.34 H new ATOM 951 N VAL A 64 -9.745 1.341 -1.968 1.00 0.24 N ATOM 952 CA VAL A 64 -8.690 0.335 -1.878 1.00 0.21 C ATOM 953 C VAL A 64 -8.068 0.061 -3.246 1.00 0.24 C ATOM 954 O VAL A 64 -6.851 -0.092 -3.360 1.00 0.28 O ATOM 955 CB VAL A 64 -9.215 -0.963 -1.243 1.00 0.24 C ATOM 956 CG1 VAL A 64 -10.023 -1.806 -2.226 1.00 0.30 C ATOM 957 CG2 VAL A 64 -8.045 -1.772 -0.693 1.00 0.26 C ATOM 0 H VAL A 64 -10.672 1.014 -1.697 1.00 0.24 H new ATOM 0 HA VAL A 64 -7.909 0.733 -1.231 1.00 0.21 H new ATOM 0 HB VAL A 64 -9.889 -0.685 -0.433 1.00 0.24 H new ATOM 0 HG11 VAL A 64 -10.371 -2.711 -1.729 1.00 0.30 H new ATOM 0 HG12 VAL A 64 -10.881 -1.233 -2.578 1.00 0.30 H new ATOM 0 HG13 VAL A 64 -9.395 -2.077 -3.075 1.00 0.30 H new ATOM 0 HG21 VAL A 64 -8.418 -2.692 -0.243 1.00 0.26 H new ATOM 0 HG22 VAL A 64 -7.359 -2.017 -1.504 1.00 0.26 H new ATOM 0 HG23 VAL A 64 -7.520 -1.186 0.062 1.00 0.26 H new ATOM 967 N GLN A 65 -8.898 0.004 -4.282 1.00 0.25 N ATOM 968 CA GLN A 65 -8.408 -0.249 -5.634 1.00 0.30 C ATOM 969 C GLN A 65 -7.817 1.020 -6.235 1.00 0.30 C ATOM 970 O GLN A 65 -6.944 0.961 -7.100 1.00 0.34 O ATOM 971 CB GLN A 65 -9.538 -0.770 -6.518 1.00 0.37 C ATOM 972 CG GLN A 65 -10.609 0.291 -6.753 1.00 0.42 C ATOM 973 CD GLN A 65 -11.468 -0.081 -7.955 1.00 0.78 C ATOM 974 OE1 GLN A 65 -11.488 -1.233 -8.385 1.00 1.56 O ATOM 975 NE2 GLN A 65 -12.181 0.899 -8.498 1.00 0.82 N ATOM 0 H GLN A 65 -9.908 0.129 -4.213 1.00 0.25 H new ATOM 0 HA GLN A 65 -7.625 -1.006 -5.580 1.00 0.30 H new ATOM 0 HB2 GLN A 65 -9.130 -1.093 -7.476 1.00 0.37 H new ATOM 0 HB3 GLN A 65 -9.990 -1.646 -6.052 1.00 0.37 H new ATOM 0 HG2 GLN A 65 -11.235 0.388 -5.866 1.00 0.42 H new ATOM 0 HG3 GLN A 65 -10.140 1.261 -6.919 1.00 0.42 H new ATOM 0 HE21 GLN A 65 -12.134 1.840 -8.108 1.00 0.82 H new ATOM 0 HE22 GLN A 65 -12.776 0.710 -9.305 1.00 0.82 H new ATOM 984 N GLN A 66 -8.296 2.170 -5.769 1.00 0.29 N ATOM 985 CA GLN A 66 -7.814 3.456 -6.257 1.00 0.31 C ATOM 986 C GLN A 66 -6.422 3.739 -5.710 1.00 0.29 C ATOM 987 O GLN A 66 -5.480 3.969 -6.469 1.00 0.36 O ATOM 988 CB GLN A 66 -8.773 4.567 -5.838 1.00 0.35 C ATOM 989 CG GLN A 66 -9.967 4.662 -6.782 1.00 0.79 C ATOM 990 CD GLN A 66 -9.499 5.008 -8.190 1.00 1.10 C ATOM 991 OE1 GLN A 66 -8.317 5.257 -8.419 1.00 2.03 O ATOM 992 NE2 GLN A 66 -10.432 5.024 -9.136 1.00 1.31 N ATOM 0 H GLN A 66 -9.019 2.236 -5.053 1.00 0.29 H new ATOM 0 HA GLN A 66 -7.764 3.421 -7.345 1.00 0.31 H new ATOM 0 HB2 GLN A 66 -9.124 4.382 -4.823 1.00 0.35 H new ATOM 0 HB3 GLN A 66 -8.243 5.520 -5.823 1.00 0.35 H new ATOM 0 HG2 GLN A 66 -10.507 3.715 -6.793 1.00 0.79 H new ATOM 0 HG3 GLN A 66 -10.662 5.422 -6.425 1.00 0.79 H new ATOM 0 HE21 GLN A 66 -11.401 4.811 -8.900 1.00 1.31 H new ATOM 0 HE22 GLN A 66 -10.179 5.250 -10.098 1.00 1.31 H new ATOM 1001 N ALA A 67 -6.300 3.715 -4.388 1.00 0.26 N ATOM 1002 CA ALA A 67 -5.022 3.963 -3.732 1.00 0.27 C ATOM 1003 C ALA A 67 -4.013 2.896 -4.131 1.00 0.26 C ATOM 1004 O ALA A 67 -2.816 3.165 -4.237 1.00 0.30 O ATOM 1005 CB ALA A 67 -5.204 3.966 -2.217 1.00 0.29 C ATOM 0 H ALA A 67 -7.072 3.526 -3.749 1.00 0.26 H new ATOM 0 HA ALA A 67 -4.649 4.938 -4.047 1.00 0.27 H new ATOM 0 HB1 ALA A 67 -4.244 4.152 -1.736 1.00 0.29 H new ATOM 0 HB2 ALA A 67 -5.908 4.749 -1.937 1.00 0.29 H new ATOM 0 HB3 ALA A 67 -5.590 2.999 -1.895 1.00 0.29 H new ATOM 1011 N LYS A 68 -4.506 1.683 -4.355 1.00 0.25 N ATOM 1012 CA LYS A 68 -3.655 0.568 -4.748 1.00 0.28 C ATOM 1013 C LYS A 68 -2.983 0.864 -6.082 1.00 0.31 C ATOM 1014 O LYS A 68 -1.767 0.733 -6.218 1.00 0.44 O ATOM 1015 CB LYS A 68 -4.491 -0.705 -4.850 1.00 0.32 C ATOM 1016 CG LYS A 68 -3.677 -1.884 -5.376 1.00 0.37 C ATOM 1017 CD LYS A 68 -4.403 -2.603 -6.509 1.00 0.43 C ATOM 1018 CE LYS A 68 -3.545 -3.709 -7.116 1.00 0.57 C ATOM 1019 NZ LYS A 68 -3.981 -4.035 -8.503 1.00 0.88 N ATOM 0 H LYS A 68 -5.495 1.447 -4.270 1.00 0.25 H new ATOM 0 HA LYS A 68 -2.881 0.427 -3.994 1.00 0.28 H new ATOM 0 HB2 LYS A 68 -4.895 -0.953 -3.868 1.00 0.32 H new ATOM 0 HB3 LYS A 68 -5.341 -0.529 -5.509 1.00 0.32 H new ATOM 0 HG2 LYS A 68 -2.709 -1.530 -5.730 1.00 0.37 H new ATOM 0 HG3 LYS A 68 -3.483 -2.585 -4.564 1.00 0.37 H new ATOM 0 HD2 LYS A 68 -5.333 -3.029 -6.133 1.00 0.43 H new ATOM 0 HD3 LYS A 68 -4.672 -1.884 -7.283 1.00 0.43 H new ATOM 0 HE2 LYS A 68 -2.500 -3.398 -7.125 1.00 0.57 H new ATOM 0 HE3 LYS A 68 -3.606 -4.602 -6.494 1.00 0.57 H new ATOM 0 HZ1 LYS A 68 -3.378 -4.790 -8.888 1.00 0.88 H new ATOM 0 HZ2 LYS A 68 -4.971 -4.355 -8.490 1.00 0.88 H new ATOM 0 HZ3 LYS A 68 -3.899 -3.188 -9.101 1.00 0.88 H new ATOM 1033 N ARG A 69 -3.781 1.271 -7.064 1.00 0.36 N ATOM 1034 CA ARG A 69 -3.262 1.592 -8.388 1.00 0.43 C ATOM 1035 C ARG A 69 -2.464 2.889 -8.338 1.00 0.42 C ATOM 1036 O ARG A 69 -1.518 3.078 -9.103 1.00 0.46 O ATOM 1037 CB ARG A 69 -4.410 1.728 -9.384 1.00 0.50 C ATOM 1038 CG ARG A 69 -4.776 0.385 -10.008 1.00 1.02 C ATOM 1039 CD ARG A 69 -5.980 0.505 -10.939 1.00 1.36 C ATOM 1040 NE ARG A 69 -5.887 -0.467 -12.021 1.00 1.81 N ATOM 1041 CZ ARG A 69 -6.893 -0.671 -12.866 1.00 2.35 C ATOM 1042 NH1 ARG A 69 -7.628 0.351 -13.283 1.00 2.76 N ATOM 1043 NH2 ARG A 69 -7.165 -1.897 -13.293 1.00 2.98 N ATOM 0 H ARG A 69 -4.790 1.386 -6.967 1.00 0.36 H new ATOM 0 HA ARG A 69 -2.606 0.784 -8.711 1.00 0.43 H new ATOM 0 HB2 ARG A 69 -5.282 2.145 -8.880 1.00 0.50 H new ATOM 0 HB3 ARG A 69 -4.130 2.430 -10.169 1.00 0.50 H new ATOM 0 HG2 ARG A 69 -3.923 -0.002 -10.565 1.00 1.02 H new ATOM 0 HG3 ARG A 69 -4.996 -0.335 -9.220 1.00 1.02 H new ATOM 0 HD2 ARG A 69 -6.900 0.345 -10.376 1.00 1.36 H new ATOM 0 HD3 ARG A 69 -6.030 1.513 -11.351 1.00 1.36 H new ATOM 0 HE ARG A 69 -5.028 -1.005 -12.133 1.00 1.81 H new ATOM 0 HH11 ARG A 69 -7.422 1.295 -12.955 1.00 2.76 H new ATOM 0 HH12 ARG A 69 -8.400 0.193 -13.931 1.00 2.76 H new ATOM 0 HH21 ARG A 69 -6.602 -2.685 -12.973 1.00 2.98 H new ATOM 0 HH22 ARG A 69 -7.937 -2.052 -13.941 1.00 2.98 H new ATOM 1057 N GLU A 70 -2.850 3.777 -7.427 1.00 0.40 N ATOM 1058 CA GLU A 70 -2.171 5.058 -7.269 1.00 0.43 C ATOM 1059 C GLU A 70 -0.696 4.842 -6.958 1.00 0.44 C ATOM 1060 O GLU A 70 0.164 5.582 -7.435 1.00 0.56 O ATOM 1061 CB GLU A 70 -2.825 5.861 -6.147 1.00 0.44 C ATOM 1062 CG GLU A 70 -2.574 7.357 -6.307 1.00 0.59 C ATOM 1063 CD GLU A 70 -3.557 7.957 -7.304 1.00 0.82 C ATOM 1064 OE1 GLU A 70 -4.013 7.221 -8.205 1.00 1.50 O ATOM 1065 OE2 GLU A 70 -3.872 9.158 -7.180 1.00 1.38 O ATOM 0 H GLU A 70 -3.630 3.632 -6.786 1.00 0.40 H new ATOM 0 HA GLU A 70 -2.255 5.614 -8.203 1.00 0.43 H new ATOM 0 HB2 GLU A 70 -3.898 5.670 -6.140 1.00 0.44 H new ATOM 0 HB3 GLU A 70 -2.436 5.527 -5.185 1.00 0.44 H new ATOM 0 HG2 GLU A 70 -2.675 7.854 -5.342 1.00 0.59 H new ATOM 0 HG3 GLU A 70 -1.552 7.526 -6.647 1.00 0.59 H new ATOM 1072 N LEU A 71 -0.410 3.821 -6.157 1.00 0.40 N ATOM 1073 CA LEU A 71 0.963 3.502 -5.782 1.00 0.47 C ATOM 1074 C LEU A 71 1.651 2.728 -6.899 1.00 0.52 C ATOM 1075 O LEU A 71 2.788 3.020 -7.265 1.00 0.60 O ATOM 1076 CB LEU A 71 0.972 2.676 -4.500 1.00 0.51 C ATOM 1077 CG LEU A 71 0.258 3.397 -3.361 1.00 0.78 C ATOM 1078 CD1 LEU A 71 -0.616 2.425 -2.574 1.00 1.08 C ATOM 1079 CD2 LEU A 71 1.263 4.085 -2.441 1.00 1.15 C ATOM 0 H LEU A 71 -1.112 3.200 -5.755 1.00 0.40 H new ATOM 0 HA LEU A 71 1.505 4.433 -5.614 1.00 0.47 H new ATOM 0 HB2 LEU A 71 0.490 1.716 -4.682 1.00 0.51 H new ATOM 0 HB3 LEU A 71 2.001 2.466 -4.209 1.00 0.51 H new ATOM 0 HG LEU A 71 -0.386 4.163 -3.793 1.00 0.78 H new ATOM 0 HD11 LEU A 71 -1.117 2.958 -1.766 1.00 1.08 H new ATOM 0 HD12 LEU A 71 -1.362 1.988 -3.237 1.00 1.08 H new ATOM 0 HD13 LEU A 71 0.006 1.634 -2.156 1.00 1.08 H new ATOM 0 HD21 LEU A 71 0.731 4.593 -1.636 1.00 1.15 H new ATOM 0 HD22 LEU A 71 1.937 3.341 -2.017 1.00 1.15 H new ATOM 0 HD23 LEU A 71 1.839 4.814 -3.011 1.00 1.15 H new ATOM 1091 N LEU A 72 0.952 1.739 -7.439 1.00 0.52 N ATOM 1092 CA LEU A 72 1.491 0.921 -8.518 1.00 0.63 C ATOM 1093 C LEU A 72 1.933 1.792 -9.690 1.00 0.67 C ATOM 1094 O LEU A 72 2.740 1.366 -10.517 1.00 0.83 O ATOM 1095 CB LEU A 72 0.439 -0.081 -8.987 1.00 0.66 C ATOM 1096 CG LEU A 72 0.698 -1.476 -8.423 1.00 0.88 C ATOM 1097 CD1 LEU A 72 -0.613 -2.143 -8.017 1.00 1.99 C ATOM 1098 CD2 LEU A 72 1.449 -2.337 -9.433 1.00 1.04 C ATOM 0 H LEU A 72 0.009 1.483 -7.147 1.00 0.52 H new ATOM 0 HA LEU A 72 2.360 0.383 -8.139 1.00 0.63 H new ATOM 0 HB2 LEU A 72 -0.550 0.258 -8.679 1.00 0.66 H new ATOM 0 HB3 LEU A 72 0.437 -0.123 -10.076 1.00 0.66 H new ATOM 0 HG LEU A 72 1.321 -1.374 -7.534 1.00 0.88 H new ATOM 0 HD11 LEU A 72 -0.408 -3.136 -7.618 1.00 1.99 H new ATOM 0 HD12 LEU A 72 -1.107 -1.540 -7.255 1.00 1.99 H new ATOM 0 HD13 LEU A 72 -1.262 -2.230 -8.888 1.00 1.99 H new ATOM 0 HD21 LEU A 72 1.623 -3.326 -9.010 1.00 1.04 H new ATOM 0 HD22 LEU A 72 0.857 -2.430 -10.343 1.00 1.04 H new ATOM 0 HD23 LEU A 72 2.405 -1.870 -9.669 1.00 1.04 H new ATOM 1110 N GLU A 73 1.398 3.009 -9.766 1.00 0.64 N ATOM 1111 CA GLU A 73 1.738 3.928 -10.848 1.00 0.74 C ATOM 1112 C GLU A 73 2.496 5.142 -10.323 1.00 0.71 C ATOM 1113 O GLU A 73 3.675 5.327 -10.624 1.00 0.88 O ATOM 1114 CB GLU A 73 0.467 4.383 -11.559 1.00 0.82 C ATOM 1115 CG GLU A 73 -0.287 3.205 -12.171 1.00 1.00 C ATOM 1116 CD GLU A 73 -0.667 3.512 -13.614 1.00 1.41 C ATOM 1117 OE1 GLU A 73 -1.284 4.572 -13.854 1.00 2.05 O ATOM 1118 OE2 GLU A 73 -0.349 2.693 -14.501 1.00 2.01 O ATOM 0 H GLU A 73 0.729 3.380 -9.092 1.00 0.64 H new ATOM 0 HA GLU A 73 2.383 3.401 -11.551 1.00 0.74 H new ATOM 0 HB2 GLU A 73 -0.180 4.902 -10.852 1.00 0.82 H new ATOM 0 HB3 GLU A 73 0.723 5.098 -12.341 1.00 0.82 H new ATOM 0 HG2 GLU A 73 0.333 2.309 -12.134 1.00 1.00 H new ATOM 0 HG3 GLU A 73 -1.184 2.996 -11.588 1.00 1.00 H new ATOM 1125 N LEU A 74 1.808 5.977 -9.550 1.00 0.64 N ATOM 1126 CA LEU A 74 2.412 7.186 -8.997 1.00 0.71 C ATOM 1127 C LEU A 74 3.271 6.867 -7.780 1.00 0.82 C ATOM 1128 O LEU A 74 4.187 7.617 -7.445 1.00 1.13 O ATOM 1129 CB LEU A 74 1.323 8.183 -8.616 1.00 0.85 C ATOM 1130 CG LEU A 74 0.769 8.903 -9.843 1.00 0.99 C ATOM 1131 CD1 LEU A 74 -0.746 9.058 -9.742 1.00 1.19 C ATOM 1132 CD2 LEU A 74 1.441 10.262 -10.018 1.00 1.32 C ATOM 0 H LEU A 74 0.831 5.839 -9.292 1.00 0.64 H new ATOM 0 HA LEU A 74 3.055 7.623 -9.761 1.00 0.71 H new ATOM 0 HB2 LEU A 74 0.515 7.662 -8.103 1.00 0.85 H new ATOM 0 HB3 LEU A 74 1.727 8.914 -7.915 1.00 0.85 H new ATOM 0 HG LEU A 74 0.989 8.297 -10.722 1.00 0.99 H new ATOM 0 HD11 LEU A 74 -1.119 9.574 -10.627 1.00 1.19 H new ATOM 0 HD12 LEU A 74 -1.209 8.073 -9.674 1.00 1.19 H new ATOM 0 HD13 LEU A 74 -0.994 9.638 -8.853 1.00 1.19 H new ATOM 0 HD21 LEU A 74 1.033 10.759 -10.898 1.00 1.32 H new ATOM 0 HD22 LEU A 74 1.257 10.875 -9.136 1.00 1.32 H new ATOM 0 HD23 LEU A 74 2.515 10.123 -10.145 1.00 1.32 H new ATOM 1144 N ALA A 75 2.974 5.754 -7.116 1.00 0.78 N ATOM 1145 CA ALA A 75 3.724 5.343 -5.931 1.00 0.99 C ATOM 1146 C ALA A 75 3.406 6.256 -4.753 1.00 1.70 C ATOM 1147 O ALA A 75 2.881 5.808 -3.734 1.00 2.16 O ATOM 1148 CB ALA A 75 5.222 5.368 -6.221 1.00 1.14 C ATOM 0 H ALA A 75 2.219 5.120 -7.377 1.00 0.78 H new ATOM 0 HA ALA A 75 3.429 4.326 -5.672 1.00 0.99 H new ATOM 0 HB1 ALA A 75 5.770 5.060 -5.331 1.00 1.14 H new ATOM 0 HB2 ALA A 75 5.446 4.684 -7.040 1.00 1.14 H new ATOM 0 HB3 ALA A 75 5.522 6.378 -6.500 1.00 1.14 H new