USER MOD reduce.3.24.130724 H: found=0, std=0, add=559, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 560 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 24 SER OG : rot -86:sc= 1.18 USER MOD Set 1.2: A 60 TYR OH : rot 165:sc= 1.13 USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -1.07 K(o=-1.1,f=-3.7!) USER MOD Single : A 16 LYS NZ :NH3+ -142:sc= -0.095 (180deg=-1.93!) USER MOD Single : A 18 ASN :FLIP amide:sc= -1.55 F(o=-4.1!,f=-1.6) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 162:sc= -0.094 (180deg=-0.511) USER MOD Single : A 33 ASN :FLIP amide:sc= -1.77 F(o=-2.3,f=-1.8) USER MOD Single : A 40 GLN :FLIP amide:sc= -0.0119 F(o=-1.3,f=-0.012) USER MOD Single : A 45 GLN :FLIP amide:sc= 0.00856 F(o=-0.91,f=0.0086) USER MOD Single : A 48 ASN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 173:sc= 0.529 USER MOD Single : A 54 MET CE :methyl -177:sc= 0 (180deg=-0.00666) USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 64 SER OG : rot -45:sc= -1.6! USER MOD Single : A 66 GLN :FLIP amide:sc= -6.13! C(o=-9.2!,f=-6.1!) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 41 N ASP A 3 0.508 14.149 3.247 1.00 1.62 N ATOM 42 CA ASP A 3 1.566 13.170 3.449 1.00 1.65 C ATOM 43 C ASP A 3 1.362 12.410 4.756 1.00 1.75 C ATOM 44 O ASP A 3 0.744 12.918 5.691 1.00 2.10 O ATOM 45 CB ASP A 3 2.927 13.866 3.461 1.00 2.02 C ATOM 46 CG ASP A 3 3.298 14.439 2.107 1.00 2.83 C ATOM 47 OD1 ASP A 3 2.888 15.582 1.812 1.00 2.96 O ATOM 48 OD2 ASP A 3 4.001 13.745 1.341 1.00 3.58 O ATOM 0 HA ASP A 3 1.532 12.456 2.626 1.00 1.65 H new ATOM 0 HB2 ASP A 3 2.915 14.667 4.200 1.00 2.02 H new ATOM 0 HB3 ASP A 3 3.692 13.155 3.773 1.00 2.02 H new ATOM 53 N TRP A 4 1.883 11.186 4.811 1.00 1.79 N ATOM 54 CA TRP A 4 1.759 10.357 6.005 1.00 2.23 C ATOM 55 C TRP A 4 2.721 9.173 5.952 1.00 2.33 C ATOM 56 O TRP A 4 2.754 8.348 6.866 1.00 2.91 O ATOM 57 CB TRP A 4 0.320 9.859 6.167 1.00 2.72 C ATOM 58 CG TRP A 4 -0.209 9.142 4.961 1.00 2.37 C ATOM 59 CD1 TRP A 4 0.125 7.888 4.538 1.00 2.53 C ATOM 60 CD2 TRP A 4 -1.173 9.638 4.026 1.00 2.23 C ATOM 61 NE1 TRP A 4 -0.568 7.574 3.395 1.00 2.21 N ATOM 62 CE2 TRP A 4 -1.372 8.633 3.061 1.00 2.15 C ATOM 63 CE3 TRP A 4 -1.886 10.834 3.911 1.00 2.65 C ATOM 64 CZ2 TRP A 4 -2.256 8.788 1.997 1.00 2.51 C ATOM 65 CZ3 TRP A 4 -2.763 10.988 2.854 1.00 3.19 C ATOM 66 CH2 TRP A 4 -2.942 9.969 1.908 1.00 3.13 C ATOM 0 H TRP A 4 2.394 10.748 4.044 1.00 1.79 H new ATOM 0 HA TRP A 4 2.018 10.971 6.867 1.00 2.23 H new ATOM 0 HB2 TRP A 4 0.271 9.191 7.027 1.00 2.72 H new ATOM 0 HB3 TRP A 4 -0.327 10.709 6.386 1.00 2.72 H new ATOM 0 HD1 TRP A 4 0.832 7.237 5.031 1.00 2.53 H new ATOM 0 HE1 TRP A 4 -0.496 6.697 2.879 1.00 2.21 H new ATOM 0 HE3 TRP A 4 -1.754 11.624 4.635 1.00 2.65 H new ATOM 0 HZ2 TRP A 4 -2.396 8.004 1.267 1.00 2.51 H new ATOM 0 HZ3 TRP A 4 -3.319 11.908 2.755 1.00 3.19 H new ATOM 0 HH2 TRP A 4 -3.635 10.119 1.093 1.00 3.13 H new ATOM 77 N ASN A 5 3.502 9.093 4.878 1.00 1.89 N ATOM 78 CA ASN A 5 4.465 8.009 4.712 1.00 1.98 C ATOM 79 C ASN A 5 5.821 8.396 5.286 1.00 2.12 C ATOM 80 O ASN A 5 6.863 7.927 4.826 1.00 2.58 O ATOM 81 CB ASN A 5 4.606 7.640 3.233 1.00 1.85 C ATOM 82 CG ASN A 5 3.320 7.090 2.648 1.00 2.43 C ATOM 83 OD1 ASN A 5 2.485 7.837 2.139 1.00 3.20 O ATOM 84 ND2 ASN A 5 3.156 5.774 2.717 1.00 2.75 N ATOM 0 H ASN A 5 3.487 9.765 4.111 1.00 1.89 H new ATOM 0 HA ASN A 5 4.094 7.141 5.258 1.00 1.98 H new ATOM 0 HB2 ASN A 5 4.910 8.522 2.669 1.00 1.85 H new ATOM 0 HB3 ASN A 5 5.399 6.900 3.120 1.00 1.85 H new ATOM 0 HD21 ASN A 5 2.311 5.345 2.339 1.00 2.75 H new ATOM 0 HD22 ASN A 5 3.875 5.192 3.148 1.00 2.75 H new ATOM 91 N ILE A 6 5.792 9.247 6.300 1.00 1.91 N ATOM 92 CA ILE A 6 7.008 9.708 6.952 1.00 2.11 C ATOM 93 C ILE A 6 7.546 8.656 7.917 1.00 2.18 C ATOM 94 O ILE A 6 8.666 8.769 8.416 1.00 2.38 O ATOM 95 CB ILE A 6 6.751 11.017 7.717 1.00 2.40 C ATOM 96 CG1 ILE A 6 5.904 11.962 6.863 1.00 2.27 C ATOM 97 CG2 ILE A 6 8.062 11.675 8.122 1.00 2.80 C ATOM 98 CD1 ILE A 6 6.627 12.493 5.645 1.00 3.11 C ATOM 0 H ILE A 6 4.933 9.635 6.691 1.00 1.91 H new ATOM 0 HA ILE A 6 7.750 9.885 6.174 1.00 2.11 H new ATOM 0 HB ILE A 6 6.202 10.787 8.630 1.00 2.40 H new ATOM 0 HG12 ILE A 6 5.004 11.438 6.541 1.00 2.27 H new ATOM 0 HG13 ILE A 6 5.581 12.802 7.478 1.00 2.27 H new ATOM 0 HG21 ILE A 6 7.854 12.599 8.662 1.00 2.80 H new ATOM 0 HG22 ILE A 6 8.625 10.998 8.765 1.00 2.80 H new ATOM 0 HG23 ILE A 6 8.647 11.900 7.230 1.00 2.80 H new ATOM 0 HD11 ILE A 6 5.964 13.156 5.089 1.00 3.11 H new ATOM 0 HD12 ILE A 6 7.512 13.046 5.960 1.00 3.11 H new ATOM 0 HD13 ILE A 6 6.926 11.661 5.008 1.00 3.11 H new ATOM 110 N ALA A 7 6.741 7.631 8.169 1.00 2.12 N ATOM 111 CA ALA A 7 7.133 6.555 9.073 1.00 2.32 C ATOM 112 C ALA A 7 8.296 5.757 8.499 1.00 2.11 C ATOM 113 O ALA A 7 9.005 5.061 9.226 1.00 2.41 O ATOM 114 CB ALA A 7 5.950 5.642 9.355 1.00 2.56 C ATOM 0 H ALA A 7 5.813 7.522 7.761 1.00 2.12 H new ATOM 0 HA ALA A 7 7.460 7.003 10.011 1.00 2.32 H new ATOM 0 HB1 ALA A 7 6.259 4.845 10.031 1.00 2.56 H new ATOM 0 HB2 ALA A 7 5.148 6.218 9.816 1.00 2.56 H new ATOM 0 HB3 ALA A 7 5.594 5.208 8.420 1.00 2.56 H new ATOM 120 N ALA A 8 8.485 5.864 7.188 1.00 1.79 N ATOM 121 CA ALA A 8 9.558 5.158 6.511 1.00 1.61 C ATOM 122 C ALA A 8 10.922 5.687 6.939 1.00 1.75 C ATOM 123 O ALA A 8 11.157 6.897 6.941 1.00 1.98 O ATOM 124 CB ALA A 8 9.394 5.269 5.004 1.00 1.44 C ATOM 0 H ALA A 8 7.905 6.436 6.574 1.00 1.79 H new ATOM 0 HA ALA A 8 9.502 4.107 6.794 1.00 1.61 H new ATOM 0 HB1 ALA A 8 10.205 4.735 4.509 1.00 1.44 H new ATOM 0 HB2 ALA A 8 8.440 4.833 4.709 1.00 1.44 H new ATOM 0 HB3 ALA A 8 9.419 6.319 4.712 1.00 1.44 H new ATOM 130 N LYS A 9 11.818 4.776 7.302 1.00 1.76 N ATOM 131 CA LYS A 9 13.161 5.151 7.730 1.00 1.95 C ATOM 132 C LYS A 9 14.142 5.034 6.572 1.00 1.64 C ATOM 133 O LYS A 9 14.652 6.034 6.067 1.00 1.76 O ATOM 134 CB LYS A 9 13.614 4.265 8.892 1.00 2.29 C ATOM 135 CG LYS A 9 12.742 4.394 10.130 1.00 2.78 C ATOM 136 CD LYS A 9 12.801 5.799 10.705 1.00 3.05 C ATOM 137 CE LYS A 9 14.136 6.070 11.383 1.00 3.46 C ATOM 138 NZ LYS A 9 14.209 7.453 11.929 1.00 4.19 N ATOM 0 H LYS A 9 11.639 3.772 7.308 1.00 1.76 H new ATOM 0 HA LYS A 9 13.138 6.188 8.065 1.00 1.95 H new ATOM 0 HB2 LYS A 9 13.616 3.225 8.566 1.00 2.29 H new ATOM 0 HB3 LYS A 9 14.641 4.519 9.153 1.00 2.29 H new ATOM 0 HG2 LYS A 9 11.711 4.145 9.878 1.00 2.78 H new ATOM 0 HG3 LYS A 9 13.068 3.677 10.883 1.00 2.78 H new ATOM 0 HD2 LYS A 9 12.642 6.526 9.908 1.00 3.05 H new ATOM 0 HD3 LYS A 9 11.993 5.933 11.424 1.00 3.05 H new ATOM 0 HE2 LYS A 9 14.286 5.353 12.190 1.00 3.46 H new ATOM 0 HE3 LYS A 9 14.944 5.919 10.667 1.00 3.46 H new ATOM 0 HZ1 LYS A 9 15.133 7.599 12.383 1.00 4.19 H new ATOM 0 HZ2 LYS A 9 14.091 8.138 11.156 1.00 4.19 H new ATOM 0 HZ3 LYS A 9 13.454 7.590 12.631 1.00 4.19 H new ATOM 152 N SER A 10 14.397 3.800 6.157 1.00 1.35 N ATOM 153 CA SER A 10 15.306 3.534 5.051 1.00 1.09 C ATOM 154 C SER A 10 14.625 3.824 3.718 1.00 1.11 C ATOM 155 O SER A 10 13.398 3.868 3.638 1.00 1.47 O ATOM 156 CB SER A 10 15.782 2.080 5.092 1.00 0.96 C ATOM 157 OG SER A 10 16.558 1.829 6.250 1.00 1.54 O ATOM 0 H SER A 10 13.985 2.964 6.572 1.00 1.35 H new ATOM 0 HA SER A 10 16.170 4.190 5.151 1.00 1.09 H new ATOM 0 HB2 SER A 10 14.921 1.412 5.076 1.00 0.96 H new ATOM 0 HB3 SER A 10 16.371 1.862 4.201 1.00 0.96 H new ATOM 0 HG SER A 10 16.848 0.893 6.253 1.00 1.54 H new ATOM 163 N GLN A 11 15.428 4.015 2.676 1.00 1.09 N ATOM 164 CA GLN A 11 14.907 4.311 1.344 1.00 1.17 C ATOM 165 C GLN A 11 14.180 3.109 0.749 1.00 0.87 C ATOM 166 O GLN A 11 13.119 3.254 0.142 1.00 0.82 O ATOM 167 CB GLN A 11 16.047 4.734 0.415 1.00 1.50 C ATOM 168 CG GLN A 11 15.618 4.953 -1.028 1.00 1.71 C ATOM 169 CD GLN A 11 15.146 6.368 -1.292 1.00 2.37 C ATOM 170 OE1 GLN A 11 14.618 7.037 -0.403 1.00 3.07 O ATOM 171 NE2 GLN A 11 15.337 6.834 -2.521 1.00 2.75 N ATOM 0 H GLN A 11 16.446 3.970 2.728 1.00 1.09 H new ATOM 0 HA GLN A 11 14.192 5.128 1.441 1.00 1.17 H new ATOM 0 HB2 GLN A 11 16.490 5.654 0.796 1.00 1.50 H new ATOM 0 HB3 GLN A 11 16.825 3.971 0.441 1.00 1.50 H new ATOM 0 HG2 GLN A 11 16.454 4.724 -1.689 1.00 1.71 H new ATOM 0 HG3 GLN A 11 14.817 4.256 -1.274 1.00 1.71 H new ATOM 0 HE21 GLN A 11 15.779 6.245 -3.227 1.00 2.75 H new ATOM 0 HE22 GLN A 11 15.042 7.781 -2.759 1.00 2.75 H new ATOM 180 N GLU A 12 14.754 1.922 0.926 1.00 0.84 N ATOM 181 CA GLU A 12 14.161 0.703 0.393 1.00 0.83 C ATOM 182 C GLU A 12 12.793 0.448 1.011 1.00 0.63 C ATOM 183 O GLU A 12 11.944 -0.208 0.410 1.00 0.77 O ATOM 184 CB GLU A 12 15.081 -0.490 0.643 1.00 1.10 C ATOM 185 CG GLU A 12 15.326 -0.752 2.113 1.00 1.70 C ATOM 186 CD GLU A 12 14.800 -2.099 2.565 1.00 2.48 C ATOM 187 OE1 GLU A 12 15.528 -3.103 2.411 1.00 2.69 O ATOM 188 OE2 GLU A 12 13.661 -2.152 3.074 1.00 3.39 O ATOM 0 H GLU A 12 15.627 1.780 1.434 1.00 0.84 H new ATOM 0 HA GLU A 12 14.033 0.831 -0.682 1.00 0.83 H new ATOM 0 HB2 GLU A 12 14.644 -1.380 0.189 1.00 1.10 H new ATOM 0 HB3 GLU A 12 16.036 -0.315 0.147 1.00 1.10 H new ATOM 0 HG2 GLU A 12 16.396 -0.699 2.313 1.00 1.70 H new ATOM 0 HG3 GLU A 12 14.852 0.034 2.701 1.00 1.70 H new ATOM 195 N GLU A 13 12.584 0.974 2.213 1.00 0.53 N ATOM 196 CA GLU A 13 11.317 0.798 2.911 1.00 0.58 C ATOM 197 C GLU A 13 10.261 1.755 2.373 1.00 0.52 C ATOM 198 O GLU A 13 9.064 1.487 2.467 1.00 0.57 O ATOM 199 CB GLU A 13 11.498 1.021 4.413 1.00 0.82 C ATOM 200 CG GLU A 13 12.584 0.153 5.025 1.00 0.84 C ATOM 201 CD GLU A 13 12.676 0.310 6.531 1.00 1.53 C ATOM 202 OE1 GLU A 13 11.914 -0.373 7.245 1.00 1.54 O ATOM 203 OE2 GLU A 13 13.513 1.112 6.994 1.00 2.54 O ATOM 0 H GLU A 13 13.275 1.525 2.723 1.00 0.53 H new ATOM 0 HA GLU A 13 10.980 -0.224 2.740 1.00 0.58 H new ATOM 0 HB2 GLU A 13 11.738 2.069 4.591 1.00 0.82 H new ATOM 0 HB3 GLU A 13 10.554 0.820 4.919 1.00 0.82 H new ATOM 0 HG2 GLU A 13 12.388 -0.892 4.784 1.00 0.84 H new ATOM 0 HG3 GLU A 13 13.544 0.409 4.577 1.00 0.84 H new ATOM 210 N ARG A 14 10.705 2.873 1.809 1.00 0.48 N ATOM 211 CA ARG A 14 9.786 3.867 1.264 1.00 0.50 C ATOM 212 C ARG A 14 9.106 3.356 0.000 1.00 0.40 C ATOM 213 O ARG A 14 7.888 3.410 -0.123 1.00 0.52 O ATOM 214 CB ARG A 14 10.531 5.164 0.941 1.00 0.58 C ATOM 215 CG ARG A 14 11.506 5.604 2.017 1.00 1.42 C ATOM 216 CD ARG A 14 12.204 6.893 1.628 1.00 1.47 C ATOM 217 NE ARG A 14 13.205 7.297 2.612 1.00 2.39 N ATOM 218 CZ ARG A 14 13.664 8.538 2.731 1.00 2.61 C ATOM 219 NH1 ARG A 14 13.219 9.494 1.926 1.00 1.96 N ATOM 220 NH2 ARG A 14 14.571 8.825 3.656 1.00 3.70 N ATOM 0 H ARG A 14 11.692 3.114 1.717 1.00 0.48 H new ATOM 0 HA ARG A 14 9.026 4.059 2.021 1.00 0.50 H new ATOM 0 HB2 ARG A 14 11.074 5.035 0.005 1.00 0.58 H new ATOM 0 HB3 ARG A 14 9.802 5.958 0.780 1.00 0.58 H new ATOM 0 HG2 ARG A 14 10.974 5.744 2.958 1.00 1.42 H new ATOM 0 HG3 ARG A 14 12.247 4.822 2.183 1.00 1.42 H new ATOM 0 HD2 ARG A 14 12.682 6.766 0.657 1.00 1.47 H new ATOM 0 HD3 ARG A 14 11.464 7.686 1.518 1.00 1.47 H new ATOM 0 HE ARG A 14 13.573 6.586 3.244 1.00 2.39 H new ATOM 0 HH11 ARG A 14 12.522 9.277 1.213 1.00 1.96 H new ATOM 0 HH12 ARG A 14 13.573 10.446 2.020 1.00 1.96 H new ATOM 0 HH21 ARG A 14 14.916 8.093 4.276 1.00 3.70 H new ATOM 0 HH22 ARG A 14 14.923 9.778 3.747 1.00 3.70 H new ATOM 234 N ASP A 15 9.899 2.842 -0.926 1.00 0.30 N ATOM 235 CA ASP A 15 9.384 2.350 -2.202 1.00 0.37 C ATOM 236 C ASP A 15 8.347 1.244 -2.019 1.00 0.35 C ATOM 237 O ASP A 15 7.244 1.323 -2.563 1.00 0.47 O ATOM 238 CB ASP A 15 10.536 1.838 -3.068 1.00 0.47 C ATOM 239 CG ASP A 15 11.616 2.882 -3.268 1.00 0.64 C ATOM 240 OD1 ASP A 15 11.441 3.759 -4.141 1.00 0.93 O ATOM 241 OD2 ASP A 15 12.638 2.824 -2.552 1.00 0.71 O ATOM 0 H ASP A 15 10.910 2.753 -0.820 1.00 0.30 H new ATOM 0 HA ASP A 15 8.890 3.187 -2.696 1.00 0.37 H new ATOM 0 HB2 ASP A 15 10.971 0.953 -2.603 1.00 0.47 H new ATOM 0 HB3 ASP A 15 10.148 1.530 -4.039 1.00 0.47 H new ATOM 246 N LYS A 16 8.704 0.215 -1.258 1.00 0.30 N ATOM 247 CA LYS A 16 7.807 -0.917 -1.030 1.00 0.32 C ATOM 248 C LYS A 16 6.485 -0.491 -0.394 1.00 0.29 C ATOM 249 O LYS A 16 5.418 -0.961 -0.790 1.00 0.43 O ATOM 250 CB LYS A 16 8.484 -1.965 -0.146 1.00 0.35 C ATOM 251 CG LYS A 16 9.891 -2.320 -0.587 1.00 0.42 C ATOM 252 CD LYS A 16 10.156 -3.809 -0.460 1.00 0.45 C ATOM 253 CE LYS A 16 9.750 -4.550 -1.721 1.00 0.62 C ATOM 254 NZ LYS A 16 10.759 -4.389 -2.805 1.00 1.38 N ATOM 0 H LYS A 16 9.606 0.139 -0.788 1.00 0.30 H new ATOM 0 HA LYS A 16 7.585 -1.345 -2.007 1.00 0.32 H new ATOM 0 HB2 LYS A 16 8.517 -1.596 0.879 1.00 0.35 H new ATOM 0 HB3 LYS A 16 7.876 -2.870 -0.140 1.00 0.35 H new ATOM 0 HG2 LYS A 16 10.038 -2.010 -1.622 1.00 0.42 H new ATOM 0 HG3 LYS A 16 10.612 -1.768 0.016 1.00 0.42 H new ATOM 0 HD2 LYS A 16 11.215 -3.977 -0.262 1.00 0.45 H new ATOM 0 HD3 LYS A 16 9.605 -4.207 0.392 1.00 0.45 H new ATOM 0 HE2 LYS A 16 9.624 -5.609 -1.496 1.00 0.62 H new ATOM 0 HE3 LYS A 16 8.784 -4.180 -2.065 1.00 0.62 H new ATOM 0 HZ1 LYS A 16 10.274 -4.299 -3.720 1.00 1.38 H new ATOM 0 HZ2 LYS A 16 11.326 -3.535 -2.628 1.00 1.38 H new ATOM 0 HZ3 LYS A 16 11.383 -5.221 -2.825 1.00 1.38 H new ATOM 268 N VAL A 17 6.554 0.401 0.588 1.00 0.24 N ATOM 269 CA VAL A 17 5.352 0.857 1.278 1.00 0.23 C ATOM 270 C VAL A 17 4.590 1.905 0.470 1.00 0.27 C ATOM 271 O VAL A 17 3.367 2.001 0.567 1.00 0.36 O ATOM 272 CB VAL A 17 5.677 1.423 2.672 1.00 0.22 C ATOM 273 CG1 VAL A 17 4.396 1.797 3.398 1.00 1.27 C ATOM 274 CG2 VAL A 17 6.477 0.413 3.481 1.00 1.23 C ATOM 0 H VAL A 17 7.422 0.820 0.922 1.00 0.24 H new ATOM 0 HA VAL A 17 4.717 -0.022 1.392 1.00 0.23 H new ATOM 0 HB VAL A 17 6.282 2.322 2.553 1.00 0.22 H new ATOM 0 HG11 VAL A 17 4.639 2.196 4.383 1.00 1.27 H new ATOM 0 HG12 VAL A 17 3.859 2.552 2.823 1.00 1.27 H new ATOM 0 HG13 VAL A 17 3.769 0.912 3.510 1.00 1.27 H new ATOM 0 HG21 VAL A 17 6.699 0.828 4.464 1.00 1.23 H new ATOM 0 HG22 VAL A 17 5.897 -0.502 3.596 1.00 1.23 H new ATOM 0 HG23 VAL A 17 7.409 0.189 2.963 1.00 1.23 H new ATOM 284 N ASN A 18 5.310 2.690 -0.326 1.00 0.27 N ATOM 285 CA ASN A 18 4.681 3.717 -1.149 1.00 0.32 C ATOM 286 C ASN A 18 3.809 3.071 -2.216 1.00 0.27 C ATOM 287 O ASN A 18 2.678 3.490 -2.451 1.00 0.25 O ATOM 288 CB ASN A 18 5.736 4.605 -1.811 1.00 0.39 C ATOM 289 CG ASN A 18 6.326 5.631 -0.862 1.00 0.44 C ATOM 290 OD1 ASN A 18 6.376 5.298 0.423 1.00 0.77 O flip ATOM 291 ND2 ASN A 18 6.733 6.716 -1.279 1.00 0.22 N flip ATOM 0 H ASN A 18 6.324 2.635 -0.418 1.00 0.27 H new ATOM 0 HA ASN A 18 4.060 4.338 -0.503 1.00 0.32 H new ATOM 0 HB2 ASN A 18 6.537 3.978 -2.203 1.00 0.39 H new ATOM 0 HB3 ASN A 18 5.288 5.120 -2.661 1.00 0.39 H new ATOM 0 HD21 ASN A 18 6.677 6.934 -2.274 1.00 0.22 H new ATOM 0 HD22 ASN A 18 7.126 7.397 -0.629 1.00 0.22 H new ATOM 298 N VAL A 19 4.349 2.046 -2.860 1.00 0.33 N ATOM 299 CA VAL A 19 3.623 1.334 -3.897 1.00 0.32 C ATOM 300 C VAL A 19 2.518 0.478 -3.279 1.00 0.33 C ATOM 301 O VAL A 19 1.514 0.168 -3.926 1.00 0.32 O ATOM 302 CB VAL A 19 4.576 0.449 -4.730 1.00 0.34 C ATOM 303 CG1 VAL A 19 4.792 -0.903 -4.065 1.00 0.40 C ATOM 304 CG2 VAL A 19 4.051 0.289 -6.146 1.00 0.32 C ATOM 0 H VAL A 19 5.288 1.690 -2.681 1.00 0.33 H new ATOM 0 HA VAL A 19 3.171 2.071 -4.561 1.00 0.32 H new ATOM 0 HB VAL A 19 5.545 0.945 -4.782 1.00 0.34 H new ATOM 0 HG11 VAL A 19 5.467 -1.504 -4.674 1.00 0.40 H new ATOM 0 HG12 VAL A 19 5.228 -0.757 -3.077 1.00 0.40 H new ATOM 0 HG13 VAL A 19 3.836 -1.417 -3.967 1.00 0.40 H new ATOM 0 HG21 VAL A 19 4.735 -0.337 -6.719 1.00 0.32 H new ATOM 0 HG22 VAL A 19 3.067 -0.179 -6.118 1.00 0.32 H new ATOM 0 HG23 VAL A 19 3.974 1.268 -6.618 1.00 0.32 H new ATOM 314 N ASP A 20 2.703 0.125 -2.009 1.00 0.37 N ATOM 315 CA ASP A 20 1.734 -0.690 -1.288 1.00 0.40 C ATOM 316 C ASP A 20 0.543 0.160 -0.872 1.00 0.40 C ATOM 317 O ASP A 20 -0.601 -0.294 -0.896 1.00 0.41 O ATOM 318 CB ASP A 20 2.388 -1.325 -0.058 1.00 0.46 C ATOM 319 CG ASP A 20 1.389 -1.648 1.036 1.00 0.62 C ATOM 320 OD1 ASP A 20 0.419 -2.383 0.751 1.00 0.84 O ATOM 321 OD2 ASP A 20 1.575 -1.168 2.172 1.00 0.82 O ATOM 0 H ASP A 20 3.519 0.393 -1.458 1.00 0.37 H new ATOM 0 HA ASP A 20 1.384 -1.485 -1.946 1.00 0.40 H new ATOM 0 HB2 ASP A 20 2.902 -2.239 -0.356 1.00 0.46 H new ATOM 0 HB3 ASP A 20 3.145 -0.647 0.336 1.00 0.46 H new ATOM 326 N LEU A 21 0.827 1.403 -0.492 1.00 0.40 N ATOM 327 CA LEU A 21 -0.202 2.332 -0.083 1.00 0.43 C ATOM 328 C LEU A 21 -1.138 2.560 -1.248 1.00 0.30 C ATOM 329 O LEU A 21 -2.354 2.652 -1.090 1.00 0.31 O ATOM 330 CB LEU A 21 0.452 3.647 0.354 1.00 0.57 C ATOM 331 CG LEU A 21 0.042 4.890 -0.441 1.00 0.67 C ATOM 332 CD1 LEU A 21 -0.777 5.835 0.423 1.00 0.73 C ATOM 333 CD2 LEU A 21 1.262 5.596 -1.004 1.00 1.07 C ATOM 0 H LEU A 21 1.772 1.785 -0.462 1.00 0.40 H new ATOM 0 HA LEU A 21 -0.770 1.932 0.757 1.00 0.43 H new ATOM 0 HB2 LEU A 21 0.217 3.817 1.405 1.00 0.57 H new ATOM 0 HB3 LEU A 21 1.534 3.534 0.284 1.00 0.57 H new ATOM 0 HG LEU A 21 -0.579 4.569 -1.277 1.00 0.67 H new ATOM 0 HD11 LEU A 21 -1.058 6.711 -0.161 1.00 0.73 H new ATOM 0 HD12 LEU A 21 -1.677 5.325 0.768 1.00 0.73 H new ATOM 0 HD13 LEU A 21 -0.185 6.147 1.283 1.00 0.73 H new ATOM 0 HD21 LEU A 21 0.947 6.476 -1.565 1.00 1.07 H new ATOM 0 HD22 LEU A 21 1.915 5.902 -0.187 1.00 1.07 H new ATOM 0 HD23 LEU A 21 1.802 4.918 -1.666 1.00 1.07 H new ATOM 345 N ALA A 22 -0.533 2.668 -2.420 1.00 0.24 N ATOM 346 CA ALA A 22 -1.268 2.874 -3.644 1.00 0.23 C ATOM 347 C ALA A 22 -2.383 1.848 -3.762 1.00 0.26 C ATOM 348 O ALA A 22 -3.559 2.199 -3.801 1.00 0.39 O ATOM 349 CB ALA A 22 -0.314 2.779 -4.822 1.00 0.26 C ATOM 0 H ALA A 22 0.478 2.615 -2.543 1.00 0.24 H new ATOM 0 HA ALA A 22 -1.723 3.865 -3.639 1.00 0.23 H new ATOM 0 HB1 ALA A 22 -0.865 2.934 -5.750 1.00 0.26 H new ATOM 0 HB2 ALA A 22 0.459 3.542 -4.727 1.00 0.26 H new ATOM 0 HB3 ALA A 22 0.150 1.793 -4.836 1.00 0.26 H new ATOM 355 N ALA A 23 -1.991 0.577 -3.793 1.00 0.26 N ATOM 356 CA ALA A 23 -2.925 -0.538 -3.885 1.00 0.38 C ATOM 357 C ALA A 23 -4.038 -0.440 -2.849 1.00 0.36 C ATOM 358 O ALA A 23 -5.150 -0.932 -3.067 1.00 0.58 O ATOM 359 CB ALA A 23 -2.179 -1.852 -3.718 1.00 0.49 C ATOM 0 H ALA A 23 -1.012 0.292 -3.755 1.00 0.26 H new ATOM 0 HA ALA A 23 -3.389 -0.498 -4.871 1.00 0.38 H new ATOM 0 HB1 ALA A 23 -2.883 -2.681 -3.788 1.00 0.49 H new ATOM 0 HB2 ALA A 23 -1.428 -1.946 -4.502 1.00 0.49 H new ATOM 0 HB3 ALA A 23 -1.690 -1.872 -2.744 1.00 0.49 H new ATOM 365 N SER A 24 -3.743 0.208 -1.732 1.00 0.30 N ATOM 366 CA SER A 24 -4.721 0.347 -0.652 1.00 0.33 C ATOM 367 C SER A 24 -5.920 1.202 -1.063 1.00 0.27 C ATOM 368 O SER A 24 -7.035 0.714 -1.155 1.00 0.33 O ATOM 369 CB SER A 24 -4.066 0.969 0.581 1.00 0.43 C ATOM 370 OG SER A 24 -2.739 0.502 0.748 1.00 1.36 O ATOM 0 H SER A 24 -2.841 0.645 -1.546 1.00 0.30 H new ATOM 0 HA SER A 24 -5.081 -0.656 -0.422 1.00 0.33 H new ATOM 0 HB2 SER A 24 -4.063 2.055 0.485 1.00 0.43 H new ATOM 0 HB3 SER A 24 -4.653 0.729 1.468 1.00 0.43 H new ATOM 0 HG SER A 24 -2.749 -0.340 1.249 1.00 1.36 H new ATOM 376 N GLY A 25 -5.679 2.467 -1.348 1.00 0.27 N ATOM 377 CA GLY A 25 -6.763 3.363 -1.704 1.00 0.34 C ATOM 378 C GLY A 25 -7.415 3.010 -3.022 1.00 0.33 C ATOM 379 O GLY A 25 -8.640 2.992 -3.133 1.00 0.43 O ATOM 0 H GLY A 25 -4.753 2.895 -1.341 1.00 0.27 H new ATOM 0 HA2 GLY A 25 -7.516 3.344 -0.916 1.00 0.34 H new ATOM 0 HA3 GLY A 25 -6.382 4.383 -1.756 1.00 0.34 H new ATOM 383 N VAL A 26 -6.591 2.712 -4.011 1.00 0.29 N ATOM 384 CA VAL A 26 -7.069 2.388 -5.347 1.00 0.37 C ATOM 385 C VAL A 26 -8.225 1.375 -5.349 1.00 0.44 C ATOM 386 O VAL A 26 -9.326 1.692 -5.800 1.00 0.53 O ATOM 387 CB VAL A 26 -5.918 1.849 -6.210 1.00 0.44 C ATOM 388 CG1 VAL A 26 -4.926 2.949 -6.551 1.00 1.26 C ATOM 389 CG2 VAL A 26 -5.232 0.705 -5.519 1.00 1.09 C ATOM 0 H VAL A 26 -5.576 2.687 -3.913 1.00 0.29 H new ATOM 0 HA VAL A 26 -7.453 3.318 -5.766 1.00 0.37 H new ATOM 0 HB VAL A 26 -6.340 1.482 -7.145 1.00 0.44 H new ATOM 0 HG11 VAL A 26 -4.123 2.538 -7.162 1.00 1.26 H new ATOM 0 HG12 VAL A 26 -5.435 3.739 -7.104 1.00 1.26 H new ATOM 0 HG13 VAL A 26 -4.508 3.360 -5.632 1.00 1.26 H new ATOM 0 HG21 VAL A 26 -4.420 0.336 -6.145 1.00 1.09 H new ATOM 0 HG22 VAL A 26 -4.829 1.045 -4.565 1.00 1.09 H new ATOM 0 HG23 VAL A 26 -5.949 -0.097 -5.345 1.00 1.09 H new ATOM 399 N ALA A 27 -7.975 0.165 -4.850 1.00 0.44 N ATOM 400 CA ALA A 27 -8.997 -0.885 -4.833 1.00 0.54 C ATOM 401 C ALA A 27 -9.832 -0.887 -3.559 1.00 0.51 C ATOM 402 O ALA A 27 -11.061 -0.878 -3.612 1.00 0.59 O ATOM 403 CB ALA A 27 -8.345 -2.244 -5.029 1.00 0.61 C ATOM 0 H ALA A 27 -7.078 -0.113 -4.453 1.00 0.44 H new ATOM 0 HA ALA A 27 -9.680 -0.674 -5.655 1.00 0.54 H new ATOM 0 HB1 ALA A 27 -9.110 -3.020 -5.015 1.00 0.61 H new ATOM 0 HB2 ALA A 27 -7.825 -2.264 -5.987 1.00 0.61 H new ATOM 0 HB3 ALA A 27 -7.631 -2.424 -4.225 1.00 0.61 H new ATOM 409 N TYR A 28 -9.157 -0.903 -2.417 1.00 0.42 N ATOM 410 CA TYR A 28 -9.843 -0.960 -1.125 1.00 0.43 C ATOM 411 C TYR A 28 -10.880 0.142 -0.971 1.00 0.49 C ATOM 412 O TYR A 28 -12.057 -0.154 -0.833 1.00 0.72 O ATOM 413 CB TYR A 28 -8.844 -0.874 0.031 1.00 0.37 C ATOM 414 CG TYR A 28 -8.962 -1.976 1.074 1.00 0.44 C ATOM 415 CD1 TYR A 28 -9.508 -3.210 0.734 1.00 0.49 C ATOM 416 CD2 TYR A 28 -8.570 -1.778 2.398 1.00 0.54 C ATOM 417 CE1 TYR A 28 -9.652 -4.213 1.674 1.00 0.59 C ATOM 418 CE2 TYR A 28 -8.718 -2.776 3.343 1.00 0.64 C ATOM 419 CZ TYR A 28 -9.096 -3.993 2.992 1.00 0.63 C ATOM 420 OH TYR A 28 -9.406 -4.986 3.915 1.00 0.77 O ATOM 0 H TYR A 28 -8.139 -0.878 -2.355 1.00 0.42 H new ATOM 0 HA TYR A 28 -10.358 -1.920 -1.095 1.00 0.43 H new ATOM 0 HB2 TYR A 28 -7.835 -0.892 -0.380 1.00 0.37 H new ATOM 0 HB3 TYR A 28 -8.969 0.088 0.527 1.00 0.37 H new ATOM 0 HD1 TYR A 28 -9.825 -3.387 -0.283 1.00 0.49 H new ATOM 0 HD2 TYR A 28 -8.144 -0.829 2.690 1.00 0.54 H new ATOM 0 HE1 TYR A 28 -10.164 -5.133 1.432 1.00 0.59 H new ATOM 0 HE2 TYR A 28 -8.522 -2.558 4.383 1.00 0.64 H new ATOM 0 HH TYR A 28 -8.996 -4.769 4.779 1.00 0.77 H new ATOM 430 N LYS A 29 -10.443 1.402 -1.011 1.00 0.37 N ATOM 431 CA LYS A 29 -11.351 2.539 -0.818 1.00 0.40 C ATOM 432 C LYS A 29 -12.656 2.405 -1.604 1.00 0.48 C ATOM 433 O LYS A 29 -13.730 2.625 -1.044 1.00 0.55 O ATOM 434 CB LYS A 29 -10.666 3.857 -1.184 1.00 0.40 C ATOM 435 CG LYS A 29 -11.584 5.063 -1.070 1.00 0.50 C ATOM 436 CD LYS A 29 -10.865 6.354 -1.424 1.00 1.23 C ATOM 437 CE LYS A 29 -10.507 6.411 -2.901 1.00 1.67 C ATOM 438 NZ LYS A 29 -11.701 6.229 -3.770 1.00 2.30 N ATOM 0 H LYS A 29 -9.470 1.662 -1.174 1.00 0.37 H new ATOM 0 HA LYS A 29 -11.606 2.540 0.242 1.00 0.40 H new ATOM 0 HB2 LYS A 29 -9.803 4.003 -0.534 1.00 0.40 H new ATOM 0 HB3 LYS A 29 -10.289 3.791 -2.205 1.00 0.40 H new ATOM 0 HG2 LYS A 29 -12.441 4.931 -1.730 1.00 0.50 H new ATOM 0 HG3 LYS A 29 -11.972 5.130 -0.054 1.00 0.50 H new ATOM 0 HD2 LYS A 29 -11.498 7.204 -1.170 1.00 1.23 H new ATOM 0 HD3 LYS A 29 -9.958 6.441 -0.826 1.00 1.23 H new ATOM 0 HE2 LYS A 29 -10.039 7.370 -3.124 1.00 1.67 H new ATOM 0 HE3 LYS A 29 -9.773 5.637 -3.126 1.00 1.67 H new ATOM 0 HZ1 LYS A 29 -11.487 6.570 -4.729 1.00 2.30 H new ATOM 0 HZ2 LYS A 29 -11.952 5.220 -3.809 1.00 2.30 H new ATOM 0 HZ3 LYS A 29 -12.500 6.770 -3.380 1.00 2.30 H new ATOM 452 N GLU A 30 -12.562 2.092 -2.902 1.00 0.51 N ATOM 453 CA GLU A 30 -13.757 1.916 -3.741 1.00 0.60 C ATOM 454 C GLU A 30 -14.852 1.227 -2.938 1.00 0.72 C ATOM 455 O GLU A 30 -16.045 1.454 -3.139 1.00 0.99 O ATOM 456 CB GLU A 30 -13.420 1.092 -4.985 1.00 0.77 C ATOM 457 CG GLU A 30 -12.461 1.788 -5.935 1.00 1.20 C ATOM 458 CD GLU A 30 -13.068 3.018 -6.581 1.00 1.95 C ATOM 459 OE1 GLU A 30 -12.986 4.108 -5.975 1.00 2.35 O ATOM 460 OE2 GLU A 30 -13.626 2.893 -7.691 1.00 2.65 O ATOM 0 H GLU A 30 -11.678 1.956 -3.393 1.00 0.51 H new ATOM 0 HA GLU A 30 -14.110 2.896 -4.061 1.00 0.60 H new ATOM 0 HB2 GLU A 30 -12.985 0.142 -4.674 1.00 0.77 H new ATOM 0 HB3 GLU A 30 -14.342 0.861 -5.518 1.00 0.77 H new ATOM 0 HG2 GLU A 30 -11.561 2.075 -5.391 1.00 1.20 H new ATOM 0 HG3 GLU A 30 -12.154 1.088 -6.712 1.00 1.20 H new ATOM 467 N ARG A 31 -14.403 0.382 -2.028 1.00 0.67 N ATOM 468 CA ARG A 31 -15.265 -0.352 -1.123 1.00 0.85 C ATOM 469 C ARG A 31 -14.797 -0.068 0.308 1.00 0.86 C ATOM 470 O ARG A 31 -13.744 0.535 0.487 1.00 1.62 O ATOM 471 CB ARG A 31 -15.166 -1.849 -1.438 1.00 0.91 C ATOM 472 CG ARG A 31 -16.505 -2.567 -1.491 1.00 1.48 C ATOM 473 CD ARG A 31 -17.318 -2.146 -2.704 1.00 1.55 C ATOM 474 NE ARG A 31 -16.616 -2.426 -3.955 1.00 1.36 N ATOM 475 CZ ARG A 31 -17.216 -2.501 -5.139 1.00 1.60 C ATOM 476 NH1 ARG A 31 -18.527 -2.322 -5.238 1.00 2.36 N ATOM 477 NH2 ARG A 31 -16.504 -2.757 -6.228 1.00 1.64 N ATOM 0 H ARG A 31 -13.411 0.184 -1.896 1.00 0.67 H new ATOM 0 HA ARG A 31 -16.305 -0.045 -1.235 1.00 0.85 H new ATOM 0 HB2 ARG A 31 -14.662 -1.974 -2.396 1.00 0.91 H new ATOM 0 HB3 ARG A 31 -14.540 -2.326 -0.684 1.00 0.91 H new ATOM 0 HG2 ARG A 31 -16.340 -3.644 -1.519 1.00 1.48 H new ATOM 0 HG3 ARG A 31 -17.069 -2.354 -0.583 1.00 1.48 H new ATOM 0 HD2 ARG A 31 -18.274 -2.669 -2.699 1.00 1.55 H new ATOM 0 HD3 ARG A 31 -17.538 -1.080 -2.642 1.00 1.55 H new ATOM 0 HE ARG A 31 -15.607 -2.572 -3.917 1.00 1.36 H new ATOM 0 HH11 ARG A 31 -19.079 -2.126 -4.403 1.00 2.36 H new ATOM 0 HH12 ARG A 31 -18.982 -2.381 -6.149 1.00 2.36 H new ATOM 0 HH21 ARG A 31 -15.496 -2.896 -6.157 1.00 1.64 H new ATOM 0 HH22 ARG A 31 -16.964 -2.815 -7.136 1.00 1.64 H new ATOM 491 N LEU A 32 -15.587 -0.427 1.319 1.00 0.89 N ATOM 492 CA LEU A 32 -15.203 -0.234 2.724 1.00 0.81 C ATOM 493 C LEU A 32 -15.362 1.208 3.149 1.00 0.96 C ATOM 494 O LEU A 32 -15.690 1.497 4.301 1.00 1.34 O ATOM 495 CB LEU A 32 -13.750 -0.620 2.978 1.00 0.66 C ATOM 496 CG LEU A 32 -13.387 -2.091 2.872 1.00 0.62 C ATOM 497 CD1 LEU A 32 -13.917 -2.726 1.601 1.00 0.57 C ATOM 498 CD2 LEU A 32 -11.887 -2.215 2.916 1.00 0.84 C ATOM 0 H LEU A 32 -16.504 -0.856 1.194 1.00 0.89 H new ATOM 0 HA LEU A 32 -15.867 -0.879 3.300 1.00 0.81 H new ATOM 0 HB2 LEU A 32 -13.127 -0.068 2.274 1.00 0.66 H new ATOM 0 HB3 LEU A 32 -13.481 -0.278 3.977 1.00 0.66 H new ATOM 0 HG LEU A 32 -13.848 -2.619 3.707 1.00 0.62 H new ATOM 0 HD11 LEU A 32 -13.631 -3.777 1.573 1.00 0.57 H new ATOM 0 HD12 LEU A 32 -15.004 -2.645 1.580 1.00 0.57 H new ATOM 0 HD13 LEU A 32 -13.498 -2.213 0.736 1.00 0.57 H new ATOM 0 HD21 LEU A 32 -11.606 -3.266 2.841 1.00 0.84 H new ATOM 0 HD22 LEU A 32 -11.452 -1.663 2.083 1.00 0.84 H new ATOM 0 HD23 LEU A 32 -11.516 -1.806 3.856 1.00 0.84 H new ATOM 510 N ASN A 33 -15.101 2.104 2.213 1.00 1.19 N ATOM 511 CA ASN A 33 -15.167 3.523 2.458 1.00 1.38 C ATOM 512 C ASN A 33 -13.940 3.939 3.251 1.00 1.19 C ATOM 513 O ASN A 33 -13.995 4.127 4.467 1.00 1.59 O ATOM 514 CB ASN A 33 -16.449 3.915 3.191 1.00 1.78 C ATOM 515 CG ASN A 33 -17.655 3.104 2.753 1.00 2.08 C ATOM 516 OD1 ASN A 33 -17.643 2.636 1.510 1.00 2.08 O flip ATOM 517 ND2 ASN A 33 -18.589 2.896 3.528 1.00 3.05 N flip ATOM 0 H ASN A 33 -14.836 1.860 1.259 1.00 1.19 H new ATOM 0 HA ASN A 33 -15.184 4.045 1.501 1.00 1.38 H new ATOM 0 HB2 ASN A 33 -16.302 3.786 4.263 1.00 1.78 H new ATOM 0 HB3 ASN A 33 -16.649 4.973 3.022 1.00 1.78 H new ATOM 0 HD21 ASN A 33 -18.560 3.273 4.475 1.00 3.05 H new ATOM 0 HD22 ASN A 33 -19.392 2.346 3.223 1.00 3.05 H new ATOM 524 N ILE A 34 -12.827 4.063 2.540 1.00 0.75 N ATOM 525 CA ILE A 34 -11.558 4.452 3.149 1.00 0.62 C ATOM 526 C ILE A 34 -11.265 5.921 2.826 1.00 0.54 C ATOM 527 O ILE A 34 -11.436 6.353 1.686 1.00 0.68 O ATOM 528 CB ILE A 34 -10.393 3.537 2.683 1.00 0.56 C ATOM 529 CG1 ILE A 34 -10.176 2.403 3.684 1.00 0.64 C ATOM 530 CG2 ILE A 34 -9.104 4.315 2.492 1.00 0.64 C ATOM 531 CD1 ILE A 34 -11.365 1.485 3.827 1.00 0.65 C ATOM 0 H ILE A 34 -12.776 3.899 1.535 1.00 0.75 H new ATOM 0 HA ILE A 34 -11.642 4.332 4.229 1.00 0.62 H new ATOM 0 HB ILE A 34 -10.674 3.118 1.717 1.00 0.56 H new ATOM 0 HG12 ILE A 34 -9.311 1.817 3.374 1.00 0.64 H new ATOM 0 HG13 ILE A 34 -9.939 2.830 4.658 1.00 0.64 H new ATOM 0 HG21 ILE A 34 -8.315 3.637 2.166 1.00 0.64 H new ATOM 0 HG22 ILE A 34 -9.254 5.087 1.738 1.00 0.64 H new ATOM 0 HG23 ILE A 34 -8.816 4.780 3.435 1.00 0.64 H new ATOM 0 HD11 ILE A 34 -11.137 0.705 4.554 1.00 0.65 H new ATOM 0 HD12 ILE A 34 -12.228 2.057 4.167 1.00 0.65 H new ATOM 0 HD13 ILE A 34 -11.590 1.028 2.863 1.00 0.65 H new ATOM 543 N PRO A 35 -10.821 6.711 3.818 1.00 0.46 N ATOM 544 CA PRO A 35 -10.563 8.138 3.631 1.00 0.49 C ATOM 545 C PRO A 35 -9.171 8.476 3.092 1.00 0.51 C ATOM 546 O PRO A 35 -8.468 9.306 3.672 1.00 0.56 O ATOM 547 CB PRO A 35 -10.727 8.678 5.048 1.00 0.58 C ATOM 548 CG PRO A 35 -10.229 7.577 5.923 1.00 0.62 C ATOM 549 CD PRO A 35 -10.549 6.286 5.207 1.00 0.56 C ATOM 0 HA PRO A 35 -11.229 8.565 2.881 1.00 0.49 H new ATOM 0 HB2 PRO A 35 -10.152 9.593 5.194 1.00 0.58 H new ATOM 0 HB3 PRO A 35 -11.768 8.918 5.264 1.00 0.58 H new ATOM 0 HG2 PRO A 35 -9.157 7.671 6.093 1.00 0.62 H new ATOM 0 HG3 PRO A 35 -10.711 7.609 6.900 1.00 0.62 H new ATOM 0 HD2 PRO A 35 -9.716 5.585 5.255 1.00 0.56 H new ATOM 0 HD3 PRO A 35 -11.411 5.787 5.649 1.00 0.56 H new ATOM 557 N VAL A 36 -8.767 7.851 1.986 1.00 0.54 N ATOM 558 CA VAL A 36 -7.467 8.151 1.391 1.00 0.59 C ATOM 559 C VAL A 36 -7.606 8.516 -0.083 1.00 0.57 C ATOM 560 O VAL A 36 -8.522 8.057 -0.764 1.00 0.58 O ATOM 561 CB VAL A 36 -6.478 6.980 1.521 1.00 0.61 C ATOM 562 CG1 VAL A 36 -6.417 6.488 2.954 1.00 1.14 C ATOM 563 CG2 VAL A 36 -6.850 5.857 0.571 1.00 0.88 C ATOM 0 H VAL A 36 -9.312 7.145 1.491 1.00 0.54 H new ATOM 0 HA VAL A 36 -7.072 9.002 1.946 1.00 0.59 H new ATOM 0 HB VAL A 36 -5.485 7.335 1.246 1.00 0.61 H new ATOM 0 HG11 VAL A 36 -5.712 5.660 3.025 1.00 1.14 H new ATOM 0 HG12 VAL A 36 -6.090 7.300 3.604 1.00 1.14 H new ATOM 0 HG13 VAL A 36 -7.406 6.150 3.265 1.00 1.14 H new ATOM 0 HG21 VAL A 36 -6.138 5.039 0.679 1.00 0.88 H new ATOM 0 HG22 VAL A 36 -7.853 5.499 0.805 1.00 0.88 H new ATOM 0 HG23 VAL A 36 -6.827 6.225 -0.455 1.00 0.88 H new ATOM 573 N ILE A 37 -6.691 9.345 -0.562 1.00 0.60 N ATOM 574 CA ILE A 37 -6.706 9.776 -1.957 1.00 0.64 C ATOM 575 C ILE A 37 -6.032 8.748 -2.862 1.00 0.59 C ATOM 576 O ILE A 37 -4.865 8.408 -2.667 1.00 0.57 O ATOM 577 CB ILE A 37 -6.001 11.135 -2.130 1.00 0.77 C ATOM 578 CG1 ILE A 37 -6.486 12.132 -1.074 1.00 0.87 C ATOM 579 CG2 ILE A 37 -6.232 11.681 -3.531 1.00 0.85 C ATOM 580 CD1 ILE A 37 -7.983 12.368 -1.091 1.00 0.90 C ATOM 0 H ILE A 37 -5.928 9.734 -0.008 1.00 0.60 H new ATOM 0 HA ILE A 37 -7.753 9.876 -2.245 1.00 0.64 H new ATOM 0 HB ILE A 37 -4.930 10.987 -1.992 1.00 0.77 H new ATOM 0 HG12 ILE A 37 -6.197 11.770 -0.087 1.00 0.87 H new ATOM 0 HG13 ILE A 37 -5.977 13.084 -1.226 1.00 0.87 H new ATOM 0 HG21 ILE A 37 -5.727 12.641 -3.635 1.00 0.85 H new ATOM 0 HG22 ILE A 37 -5.834 10.980 -4.265 1.00 0.85 H new ATOM 0 HG23 ILE A 37 -7.301 11.813 -3.698 1.00 0.85 H new ATOM 0 HD11 ILE A 37 -8.247 13.086 -0.314 1.00 0.90 H new ATOM 0 HD12 ILE A 37 -8.278 12.761 -2.064 1.00 0.90 H new ATOM 0 HD13 ILE A 37 -8.502 11.427 -0.907 1.00 0.90 H new ATOM 592 N ALA A 38 -6.772 8.256 -3.855 1.00 0.59 N ATOM 593 CA ALA A 38 -6.233 7.272 -4.788 1.00 0.61 C ATOM 594 C ALA A 38 -5.383 7.944 -5.860 1.00 0.57 C ATOM 595 O ALA A 38 -4.245 7.553 -6.093 1.00 0.64 O ATOM 596 CB ALA A 38 -7.361 6.477 -5.428 1.00 0.67 C ATOM 0 H ALA A 38 -7.741 8.522 -4.032 1.00 0.59 H new ATOM 0 HA ALA A 38 -5.595 6.588 -4.229 1.00 0.61 H new ATOM 0 HB1 ALA A 38 -6.944 5.747 -6.122 1.00 0.67 H new ATOM 0 HB2 ALA A 38 -7.927 5.959 -4.653 1.00 0.67 H new ATOM 0 HB3 ALA A 38 -8.022 7.154 -5.969 1.00 0.67 H new ATOM 602 N GLU A 39 -5.959 8.935 -6.534 1.00 0.51 N ATOM 603 CA GLU A 39 -5.236 9.680 -7.565 1.00 0.57 C ATOM 604 C GLU A 39 -3.895 10.198 -7.044 1.00 0.47 C ATOM 605 O GLU A 39 -3.007 10.540 -7.826 1.00 0.50 O ATOM 606 CB GLU A 39 -6.084 10.838 -8.084 1.00 0.76 C ATOM 607 CG GLU A 39 -6.817 11.600 -6.990 1.00 0.57 C ATOM 608 CD GLU A 39 -7.621 12.766 -7.529 1.00 0.94 C ATOM 609 OE1 GLU A 39 -8.754 12.537 -8.001 1.00 1.23 O ATOM 610 OE2 GLU A 39 -7.117 13.908 -7.478 1.00 1.28 O ATOM 0 H GLU A 39 -6.921 9.242 -6.387 1.00 0.51 H new ATOM 0 HA GLU A 39 -5.035 8.994 -8.388 1.00 0.57 H new ATOM 0 HB2 GLU A 39 -5.442 11.530 -8.629 1.00 0.76 H new ATOM 0 HB3 GLU A 39 -6.813 10.452 -8.796 1.00 0.76 H new ATOM 0 HG2 GLU A 39 -7.483 10.918 -6.461 1.00 0.57 H new ATOM 0 HG3 GLU A 39 -6.094 11.968 -6.262 1.00 0.57 H new ATOM 617 N GLN A 40 -3.755 10.255 -5.723 1.00 0.43 N ATOM 618 CA GLN A 40 -2.512 10.707 -5.105 1.00 0.45 C ATOM 619 C GLN A 40 -1.417 9.686 -5.363 1.00 0.37 C ATOM 620 O GLN A 40 -0.237 10.019 -5.475 1.00 0.47 O ATOM 621 CB GLN A 40 -2.694 10.874 -3.600 1.00 0.55 C ATOM 622 CG GLN A 40 -2.234 12.222 -3.073 1.00 0.49 C ATOM 623 CD GLN A 40 -2.228 12.286 -1.558 1.00 0.48 C ATOM 624 OE1 GLN A 40 -3.351 12.691 -0.977 1.00 0.75 O flip ATOM 625 NE2 GLN A 40 -1.222 11.974 -0.919 1.00 0.75 N flip ATOM 0 H GLN A 40 -4.485 9.994 -5.060 1.00 0.43 H new ATOM 0 HA GLN A 40 -2.236 11.668 -5.539 1.00 0.45 H new ATOM 0 HB2 GLN A 40 -3.747 10.738 -3.353 1.00 0.55 H new ATOM 0 HB3 GLN A 40 -2.142 10.086 -3.087 1.00 0.55 H new ATOM 0 HG2 GLN A 40 -1.231 12.430 -3.445 1.00 0.49 H new ATOM 0 HG3 GLN A 40 -2.887 13.002 -3.463 1.00 0.49 H new ATOM 0 HE21 GLN A 40 -0.381 11.668 -1.409 1.00 0.75 H new ATOM 0 HE22 GLN A 40 -1.230 12.021 0.100 1.00 0.75 H new ATOM 634 N VAL A 41 -1.838 8.432 -5.444 1.00 0.31 N ATOM 635 CA VAL A 41 -0.935 7.323 -5.687 1.00 0.31 C ATOM 636 C VAL A 41 -0.818 7.047 -7.183 1.00 0.33 C ATOM 637 O VAL A 41 0.135 6.418 -7.643 1.00 0.43 O ATOM 638 CB VAL A 41 -1.418 6.042 -4.971 1.00 0.31 C ATOM 639 CG1 VAL A 41 -2.138 6.387 -3.675 1.00 0.31 C ATOM 640 CG2 VAL A 41 -2.318 5.209 -5.876 1.00 0.35 C ATOM 0 H VAL A 41 -2.815 8.158 -5.343 1.00 0.31 H new ATOM 0 HA VAL A 41 0.041 7.602 -5.290 1.00 0.31 H new ATOM 0 HB VAL A 41 -0.538 5.445 -4.730 1.00 0.31 H new ATOM 0 HG11 VAL A 41 -2.469 5.470 -3.188 1.00 0.31 H new ATOM 0 HG12 VAL A 41 -1.459 6.925 -3.013 1.00 0.31 H new ATOM 0 HG13 VAL A 41 -3.002 7.014 -3.895 1.00 0.31 H new ATOM 0 HG21 VAL A 41 -2.641 4.314 -5.344 1.00 0.35 H new ATOM 0 HG22 VAL A 41 -3.190 5.797 -6.162 1.00 0.35 H new ATOM 0 HG23 VAL A 41 -1.767 4.919 -6.771 1.00 0.35 H new ATOM 650 N ALA A 42 -1.804 7.530 -7.933 1.00 0.34 N ATOM 651 CA ALA A 42 -1.846 7.333 -9.375 1.00 0.44 C ATOM 652 C ALA A 42 -0.799 8.175 -10.103 1.00 0.57 C ATOM 653 O ALA A 42 -0.478 7.908 -11.260 1.00 0.77 O ATOM 654 CB ALA A 42 -3.239 7.645 -9.902 1.00 0.42 C ATOM 0 H ALA A 42 -2.589 8.064 -7.561 1.00 0.34 H new ATOM 0 HA ALA A 42 -1.610 6.287 -9.572 1.00 0.44 H new ATOM 0 HB1 ALA A 42 -3.262 7.495 -10.981 1.00 0.42 H new ATOM 0 HB2 ALA A 42 -3.964 6.983 -9.428 1.00 0.42 H new ATOM 0 HB3 ALA A 42 -3.491 8.681 -9.674 1.00 0.42 H new ATOM 660 N ARG A 43 -0.269 9.187 -9.423 1.00 0.49 N ATOM 661 CA ARG A 43 0.736 10.062 -10.024 1.00 0.61 C ATOM 662 C ARG A 43 2.149 9.522 -9.810 1.00 0.69 C ATOM 663 O ARG A 43 3.116 10.062 -10.348 1.00 0.81 O ATOM 664 CB ARG A 43 0.616 11.483 -9.462 1.00 0.60 C ATOM 665 CG ARG A 43 0.630 11.555 -7.943 1.00 0.85 C ATOM 666 CD ARG A 43 2.045 11.526 -7.386 1.00 0.68 C ATOM 667 NE ARG A 43 2.865 12.610 -7.915 1.00 1.29 N ATOM 668 CZ ARG A 43 4.174 12.711 -7.710 1.00 1.91 C ATOM 669 NH1 ARG A 43 4.811 11.793 -6.996 1.00 2.11 N ATOM 670 NH2 ARG A 43 4.850 13.732 -8.222 1.00 2.62 N ATOM 0 H ARG A 43 -0.516 9.422 -8.462 1.00 0.49 H new ATOM 0 HA ARG A 43 0.550 10.091 -11.098 1.00 0.61 H new ATOM 0 HB2 ARG A 43 1.436 12.086 -9.851 1.00 0.60 H new ATOM 0 HB3 ARG A 43 -0.309 11.929 -9.827 1.00 0.60 H new ATOM 0 HG2 ARG A 43 0.131 12.468 -7.618 1.00 0.85 H new ATOM 0 HG3 ARG A 43 0.062 10.719 -7.535 1.00 0.85 H new ATOM 0 HD2 ARG A 43 2.008 11.597 -6.299 1.00 0.68 H new ATOM 0 HD3 ARG A 43 2.509 10.570 -7.627 1.00 0.68 H new ATOM 0 HE ARG A 43 2.408 13.331 -8.474 1.00 1.29 H new ATOM 0 HH11 ARG A 43 4.296 11.006 -6.602 1.00 2.11 H new ATOM 0 HH12 ARG A 43 5.816 11.874 -6.841 1.00 2.11 H new ATOM 0 HH21 ARG A 43 4.365 14.440 -8.773 1.00 2.62 H new ATOM 0 HH22 ARG A 43 5.855 13.809 -8.064 1.00 2.62 H new ATOM 684 N GLU A 44 2.263 8.455 -9.022 1.00 0.79 N ATOM 685 CA GLU A 44 3.563 7.853 -8.741 1.00 1.09 C ATOM 686 C GLU A 44 3.606 6.390 -9.177 1.00 1.38 C ATOM 687 O GLU A 44 4.288 6.044 -10.141 1.00 2.24 O ATOM 688 CB GLU A 44 3.895 7.971 -7.254 1.00 1.18 C ATOM 689 CG GLU A 44 2.670 8.059 -6.363 1.00 1.05 C ATOM 690 CD GLU A 44 3.009 7.962 -4.889 1.00 1.37 C ATOM 691 OE1 GLU A 44 3.094 6.829 -4.371 1.00 1.65 O ATOM 692 OE2 GLU A 44 3.189 9.021 -4.251 1.00 1.47 O ATOM 0 H GLU A 44 1.475 7.992 -8.569 1.00 0.79 H new ATOM 0 HA GLU A 44 4.312 8.397 -9.316 1.00 1.09 H new ATOM 0 HB2 GLU A 44 4.491 7.109 -6.954 1.00 1.18 H new ATOM 0 HB3 GLU A 44 4.512 8.856 -7.097 1.00 1.18 H new ATOM 0 HG2 GLU A 44 2.156 9.001 -6.552 1.00 1.05 H new ATOM 0 HG3 GLU A 44 1.977 7.260 -6.625 1.00 1.05 H new ATOM 699 N GLN A 45 2.858 5.549 -8.459 1.00 0.72 N ATOM 700 CA GLN A 45 2.790 4.113 -8.743 1.00 0.93 C ATOM 701 C GLN A 45 4.131 3.589 -9.271 1.00 0.74 C ATOM 702 O GLN A 45 4.283 3.340 -10.467 1.00 0.80 O ATOM 703 CB GLN A 45 1.664 3.812 -9.740 1.00 1.18 C ATOM 704 CG GLN A 45 1.697 4.673 -10.994 1.00 1.69 C ATOM 705 CD GLN A 45 0.532 4.395 -11.926 1.00 1.85 C ATOM 706 OE1 GLN A 45 0.058 3.155 -11.932 1.00 2.15 O flip ATOM 707 NE2 GLN A 45 0.065 5.288 -12.635 1.00 2.52 N flip ATOM 0 H GLN A 45 2.285 5.842 -7.668 1.00 0.72 H new ATOM 0 HA GLN A 45 2.572 3.597 -7.808 1.00 0.93 H new ATOM 0 HB2 GLN A 45 1.722 2.763 -10.031 1.00 1.18 H new ATOM 0 HB3 GLN A 45 0.705 3.952 -9.241 1.00 1.18 H new ATOM 0 HG2 GLN A 45 1.685 5.725 -10.708 1.00 1.69 H new ATOM 0 HG3 GLN A 45 2.632 4.498 -11.526 1.00 1.69 H new ATOM 0 HE21 GLN A 45 0.460 6.228 -12.598 1.00 2.52 H new ATOM 0 HE22 GLN A 45 -0.717 5.088 -13.258 1.00 2.52 H new ATOM 716 N PRO A 46 5.126 3.422 -8.375 1.00 0.61 N ATOM 717 CA PRO A 46 6.466 2.942 -8.743 1.00 0.48 C ATOM 718 C PRO A 46 6.437 1.736 -9.678 1.00 0.45 C ATOM 719 O PRO A 46 5.619 0.831 -9.522 1.00 0.61 O ATOM 720 CB PRO A 46 7.079 2.560 -7.398 1.00 0.62 C ATOM 721 CG PRO A 46 6.422 3.466 -6.417 1.00 0.65 C ATOM 722 CD PRO A 46 5.023 3.692 -6.927 1.00 0.75 C ATOM 0 HA PRO A 46 7.026 3.698 -9.293 1.00 0.48 H new ATOM 0 HB2 PRO A 46 6.891 1.513 -7.159 1.00 0.62 H new ATOM 0 HB3 PRO A 46 8.160 2.697 -7.402 1.00 0.62 H new ATOM 0 HG2 PRO A 46 6.407 3.019 -5.423 1.00 0.65 H new ATOM 0 HG3 PRO A 46 6.963 4.408 -6.334 1.00 0.65 H new ATOM 0 HD2 PRO A 46 4.309 3.024 -6.446 1.00 0.75 H new ATOM 0 HD3 PRO A 46 4.687 4.711 -6.733 1.00 0.75 H new ATOM 730 N GLU A 47 7.346 1.738 -10.650 1.00 0.45 N ATOM 731 CA GLU A 47 7.441 0.652 -11.621 1.00 0.52 C ATOM 732 C GLU A 47 8.219 -0.531 -11.049 1.00 0.48 C ATOM 733 O GLU A 47 7.742 -1.664 -11.071 1.00 0.49 O ATOM 734 CB GLU A 47 8.116 1.142 -12.904 1.00 0.65 C ATOM 735 CG GLU A 47 8.360 0.039 -13.923 1.00 0.87 C ATOM 736 CD GLU A 47 9.196 0.506 -15.099 1.00 1.35 C ATOM 737 OE1 GLU A 47 8.613 1.019 -16.075 1.00 1.78 O ATOM 738 OE2 GLU A 47 10.436 0.356 -15.041 1.00 2.03 O ATOM 0 H GLU A 47 8.030 2.483 -10.786 1.00 0.45 H new ATOM 0 HA GLU A 47 6.428 0.321 -11.851 1.00 0.52 H new ATOM 0 HB2 GLU A 47 7.496 1.915 -13.359 1.00 0.65 H new ATOM 0 HB3 GLU A 47 9.068 1.607 -12.649 1.00 0.65 H new ATOM 0 HG2 GLU A 47 8.861 -0.797 -13.435 1.00 0.87 H new ATOM 0 HG3 GLU A 47 7.402 -0.332 -14.288 1.00 0.87 H new ATOM 745 N ASN A 48 9.423 -0.260 -10.548 1.00 0.51 N ATOM 746 CA ASN A 48 10.269 -1.300 -9.966 1.00 0.51 C ATOM 747 C ASN A 48 9.725 -1.782 -8.620 1.00 0.37 C ATOM 748 O ASN A 48 10.469 -2.308 -7.794 1.00 0.55 O ATOM 749 CB ASN A 48 11.698 -0.783 -9.793 1.00 0.64 C ATOM 750 CG ASN A 48 12.323 -0.358 -11.107 1.00 1.34 C ATOM 751 OD1 ASN A 48 12.003 -0.902 -12.165 1.00 2.17 O ATOM 752 ND2 ASN A 48 13.219 0.620 -11.047 1.00 1.77 N ATOM 0 H ASN A 48 9.835 0.673 -10.534 1.00 0.51 H new ATOM 0 HA ASN A 48 10.269 -2.147 -10.652 1.00 0.51 H new ATOM 0 HB2 ASN A 48 11.695 0.063 -9.105 1.00 0.64 H new ATOM 0 HB3 ASN A 48 12.310 -1.561 -9.338 1.00 0.64 H new ATOM 0 HD21 ASN A 48 13.672 0.949 -11.899 1.00 1.77 H new ATOM 0 HD22 ASN A 48 13.454 1.042 -10.149 1.00 1.77 H new ATOM 759 N LEU A 49 8.424 -1.606 -8.418 1.00 0.29 N ATOM 760 CA LEU A 49 7.766 -2.017 -7.193 1.00 0.21 C ATOM 761 C LEU A 49 6.275 -2.189 -7.451 1.00 0.23 C ATOM 762 O LEU A 49 5.503 -2.475 -6.536 1.00 0.28 O ATOM 763 CB LEU A 49 7.991 -0.981 -6.085 1.00 0.34 C ATOM 764 CG LEU A 49 8.578 -1.526 -4.776 1.00 0.34 C ATOM 765 CD1 LEU A 49 7.949 -2.859 -4.417 1.00 0.65 C ATOM 766 CD2 LEU A 49 10.090 -1.656 -4.879 1.00 0.66 C ATOM 0 H LEU A 49 7.801 -1.175 -9.100 1.00 0.29 H new ATOM 0 HA LEU A 49 8.191 -2.966 -6.866 1.00 0.21 H new ATOM 0 HB2 LEU A 49 8.657 -0.207 -6.466 1.00 0.34 H new ATOM 0 HB3 LEU A 49 7.038 -0.501 -5.863 1.00 0.34 H new ATOM 0 HG LEU A 49 8.349 -0.817 -3.980 1.00 0.34 H new ATOM 0 HD11 LEU A 49 8.381 -3.226 -3.486 1.00 0.65 H new ATOM 0 HD12 LEU A 49 6.873 -2.732 -4.293 1.00 0.65 H new ATOM 0 HD13 LEU A 49 8.140 -3.578 -5.214 1.00 0.65 H new ATOM 0 HD21 LEU A 49 10.487 -2.044 -3.941 1.00 0.66 H new ATOM 0 HD22 LEU A 49 10.342 -2.340 -5.690 1.00 0.66 H new ATOM 0 HD23 LEU A 49 10.526 -0.678 -5.080 1.00 0.66 H new ATOM 778 N ARG A 50 5.884 -2.027 -8.716 1.00 0.27 N ATOM 779 CA ARG A 50 4.490 -2.147 -9.112 1.00 0.33 C ATOM 780 C ARG A 50 3.978 -3.544 -8.812 1.00 0.33 C ATOM 781 O ARG A 50 2.828 -3.722 -8.412 1.00 0.43 O ATOM 782 CB ARG A 50 4.340 -1.838 -10.602 1.00 0.41 C ATOM 783 CG ARG A 50 2.897 -1.757 -11.066 1.00 1.10 C ATOM 784 CD ARG A 50 2.813 -1.372 -12.534 1.00 1.23 C ATOM 785 NE ARG A 50 1.440 -1.103 -12.952 1.00 1.88 N ATOM 786 CZ ARG A 50 1.115 -0.590 -14.135 1.00 2.37 C ATOM 787 NH1 ARG A 50 2.060 -0.289 -15.017 1.00 2.41 N ATOM 788 NH2 ARG A 50 -0.157 -0.375 -14.439 1.00 3.19 N ATOM 0 H ARG A 50 6.521 -1.811 -9.483 1.00 0.27 H new ATOM 0 HA ARG A 50 3.899 -1.429 -8.543 1.00 0.33 H new ATOM 0 HB2 ARG A 50 4.836 -0.892 -10.820 1.00 0.41 H new ATOM 0 HB3 ARG A 50 4.855 -2.608 -11.177 1.00 0.41 H new ATOM 0 HG2 ARG A 50 2.408 -2.719 -10.911 1.00 1.10 H new ATOM 0 HG3 ARG A 50 2.359 -1.025 -10.464 1.00 1.10 H new ATOM 0 HD2 ARG A 50 3.426 -0.488 -12.713 1.00 1.23 H new ATOM 0 HD3 ARG A 50 3.227 -2.175 -13.144 1.00 1.23 H new ATOM 0 HE ARG A 50 0.687 -1.321 -12.299 1.00 1.88 H new ATOM 0 HH11 ARG A 50 3.041 -0.451 -14.789 1.00 2.41 H new ATOM 0 HH12 ARG A 50 1.805 0.104 -15.923 1.00 2.41 H new ATOM 0 HH21 ARG A 50 -0.888 -0.603 -13.765 1.00 3.19 H new ATOM 0 HH22 ARG A 50 -0.405 0.019 -15.347 1.00 3.19 H new ATOM 802 N THR A 51 4.843 -4.533 -9.014 1.00 0.27 N ATOM 803 CA THR A 51 4.492 -5.918 -8.753 1.00 0.28 C ATOM 804 C THR A 51 3.910 -6.057 -7.352 1.00 0.25 C ATOM 805 O THR A 51 2.845 -6.642 -7.168 1.00 0.30 O ATOM 806 CB THR A 51 5.717 -6.841 -8.889 1.00 0.29 C ATOM 807 OG1 THR A 51 6.367 -6.608 -10.145 1.00 0.35 O ATOM 808 CG2 THR A 51 5.308 -8.301 -8.791 1.00 0.36 C ATOM 0 H THR A 51 5.793 -4.397 -9.358 1.00 0.27 H new ATOM 0 HA THR A 51 3.749 -6.216 -9.492 1.00 0.28 H new ATOM 0 HB THR A 51 6.405 -6.617 -8.074 1.00 0.29 H new ATOM 0 HG1 THR A 51 7.146 -7.197 -10.224 1.00 0.35 H new ATOM 0 HG21 THR A 51 6.190 -8.933 -8.890 1.00 0.36 H new ATOM 0 HG22 THR A 51 4.838 -8.483 -7.825 1.00 0.36 H new ATOM 0 HG23 THR A 51 4.602 -8.535 -9.588 1.00 0.36 H new ATOM 816 N TYR A 52 4.619 -5.504 -6.372 1.00 0.20 N ATOM 817 CA TYR A 52 4.184 -5.536 -4.987 1.00 0.19 C ATOM 818 C TYR A 52 2.786 -4.942 -4.859 1.00 0.18 C ATOM 819 O TYR A 52 1.924 -5.490 -4.173 1.00 0.22 O ATOM 820 CB TYR A 52 5.174 -4.748 -4.128 1.00 0.21 C ATOM 821 CG TYR A 52 4.995 -4.938 -2.639 1.00 0.27 C ATOM 822 CD1 TYR A 52 4.746 -6.195 -2.099 1.00 0.41 C ATOM 823 CD2 TYR A 52 5.060 -3.855 -1.773 1.00 0.27 C ATOM 824 CE1 TYR A 52 4.571 -6.363 -0.741 1.00 0.50 C ATOM 825 CE2 TYR A 52 4.884 -4.015 -0.417 1.00 0.35 C ATOM 826 CZ TYR A 52 4.688 -5.305 0.099 1.00 0.46 C ATOM 827 OH TYR A 52 4.461 -5.435 1.451 1.00 0.56 O ATOM 0 H TYR A 52 5.507 -5.024 -6.519 1.00 0.20 H new ATOM 0 HA TYR A 52 4.151 -6.570 -4.643 1.00 0.19 H new ATOM 0 HB2 TYR A 52 6.188 -5.042 -4.401 1.00 0.21 H new ATOM 0 HB3 TYR A 52 5.076 -3.688 -4.361 1.00 0.21 H new ATOM 0 HD1 TYR A 52 4.689 -7.053 -2.753 1.00 0.41 H new ATOM 0 HD2 TYR A 52 5.252 -2.869 -2.170 1.00 0.27 H new ATOM 0 HE1 TYR A 52 4.340 -7.341 -0.345 1.00 0.50 H new ATOM 0 HE2 TYR A 52 4.897 -3.159 0.241 1.00 0.35 H new ATOM 0 HH TYR A 52 4.706 -4.602 1.905 1.00 0.56 H new ATOM 837 N PHE A 53 2.577 -3.814 -5.528 1.00 0.17 N ATOM 838 CA PHE A 53 1.288 -3.134 -5.516 1.00 0.18 C ATOM 839 C PHE A 53 0.194 -4.056 -6.049 1.00 0.16 C ATOM 840 O PHE A 53 -0.941 -4.012 -5.580 1.00 0.19 O ATOM 841 CB PHE A 53 1.403 -1.834 -6.323 1.00 0.20 C ATOM 842 CG PHE A 53 0.139 -1.316 -6.954 1.00 0.24 C ATOM 843 CD1 PHE A 53 -0.317 -1.824 -8.158 1.00 0.32 C ATOM 844 CD2 PHE A 53 -0.567 -0.288 -6.356 1.00 0.29 C ATOM 845 CE1 PHE A 53 -1.459 -1.322 -8.748 1.00 0.37 C ATOM 846 CE2 PHE A 53 -1.708 0.224 -6.940 1.00 0.36 C ATOM 847 CZ PHE A 53 -2.157 -0.296 -8.138 1.00 0.37 C ATOM 0 H PHE A 53 3.290 -3.348 -6.090 1.00 0.17 H new ATOM 0 HA PHE A 53 1.007 -2.876 -4.495 1.00 0.18 H new ATOM 0 HB2 PHE A 53 1.797 -1.059 -5.666 1.00 0.20 H new ATOM 0 HB3 PHE A 53 2.139 -1.987 -7.112 1.00 0.20 H new ATOM 0 HD1 PHE A 53 0.227 -2.622 -8.641 1.00 0.32 H new ATOM 0 HD2 PHE A 53 -0.220 0.120 -5.418 1.00 0.29 H new ATOM 0 HE1 PHE A 53 -1.807 -1.730 -9.685 1.00 0.37 H new ATOM 0 HE2 PHE A 53 -2.248 1.028 -6.462 1.00 0.36 H new ATOM 0 HZ PHE A 53 -3.051 0.098 -8.597 1.00 0.37 H new ATOM 857 N MET A 54 0.546 -4.896 -7.022 1.00 0.18 N ATOM 858 CA MET A 54 -0.408 -5.847 -7.591 1.00 0.22 C ATOM 859 C MET A 54 -0.705 -6.939 -6.574 1.00 0.25 C ATOM 860 O MET A 54 -1.854 -7.337 -6.383 1.00 0.27 O ATOM 861 CB MET A 54 0.147 -6.468 -8.875 1.00 0.27 C ATOM 862 CG MET A 54 0.801 -5.462 -9.801 1.00 1.07 C ATOM 863 SD MET A 54 0.526 -5.835 -11.544 1.00 1.58 S ATOM 864 CE MET A 54 1.407 -7.386 -11.706 1.00 1.82 C ATOM 0 H MET A 54 1.480 -4.937 -7.431 1.00 0.18 H new ATOM 0 HA MET A 54 -1.328 -5.316 -7.836 1.00 0.22 H new ATOM 0 HB2 MET A 54 0.876 -7.235 -8.612 1.00 0.27 H new ATOM 0 HB3 MET A 54 -0.663 -6.967 -9.407 1.00 0.27 H new ATOM 0 HG2 MET A 54 0.413 -4.467 -9.581 1.00 1.07 H new ATOM 0 HG3 MET A 54 1.873 -5.437 -9.604 1.00 1.07 H new ATOM 0 HE1 MET A 54 1.373 -7.717 -12.744 1.00 1.82 H new ATOM 0 HE2 MET A 54 2.445 -7.248 -11.403 1.00 1.82 H new ATOM 0 HE3 MET A 54 0.940 -8.138 -11.070 1.00 1.82 H new ATOM 874 N GLU A 55 0.353 -7.419 -5.933 1.00 0.26 N ATOM 875 CA GLU A 55 0.238 -8.445 -4.912 1.00 0.31 C ATOM 876 C GLU A 55 -0.717 -7.954 -3.840 1.00 0.30 C ATOM 877 O GLU A 55 -1.486 -8.719 -3.264 1.00 0.37 O ATOM 878 CB GLU A 55 1.610 -8.746 -4.308 1.00 0.33 C ATOM 879 CG GLU A 55 2.640 -9.195 -5.330 1.00 0.41 C ATOM 880 CD GLU A 55 3.901 -9.740 -4.687 1.00 1.06 C ATOM 881 OE1 GLU A 55 4.811 -8.937 -4.390 1.00 1.84 O ATOM 882 OE2 GLU A 55 3.978 -10.969 -4.480 1.00 0.92 O ATOM 0 H GLU A 55 1.309 -7.108 -6.107 1.00 0.26 H new ATOM 0 HA GLU A 55 -0.145 -9.366 -5.352 1.00 0.31 H new ATOM 0 HB2 GLU A 55 1.978 -7.854 -3.802 1.00 0.33 H new ATOM 0 HB3 GLU A 55 1.501 -9.521 -3.549 1.00 0.33 H new ATOM 0 HG2 GLU A 55 2.202 -9.962 -5.969 1.00 0.41 H new ATOM 0 HG3 GLU A 55 2.899 -8.354 -5.973 1.00 0.41 H new ATOM 889 N ARG A 56 -0.637 -6.657 -3.582 1.00 0.29 N ATOM 890 CA ARG A 56 -1.505 -6.017 -2.614 1.00 0.32 C ATOM 891 C ARG A 56 -2.923 -5.923 -3.162 1.00 0.28 C ATOM 892 O ARG A 56 -3.883 -6.107 -2.426 1.00 0.29 O ATOM 893 CB ARG A 56 -0.974 -4.628 -2.257 1.00 0.40 C ATOM 894 CG ARG A 56 0.251 -4.657 -1.360 1.00 0.74 C ATOM 895 CD ARG A 56 -0.074 -5.231 0.010 1.00 0.84 C ATOM 896 NE ARG A 56 1.052 -5.120 0.933 1.00 1.54 N ATOM 897 CZ ARG A 56 0.944 -5.263 2.251 1.00 1.82 C ATOM 898 NH1 ARG A 56 -0.235 -5.523 2.800 1.00 1.80 N ATOM 899 NH2 ARG A 56 2.017 -5.143 3.020 1.00 2.57 N ATOM 0 H ARG A 56 0.025 -6.027 -4.034 1.00 0.29 H new ATOM 0 HA ARG A 56 -1.522 -6.621 -1.707 1.00 0.32 H new ATOM 0 HB2 ARG A 56 -0.729 -4.095 -3.176 1.00 0.40 H new ATOM 0 HB3 ARG A 56 -1.763 -4.063 -1.762 1.00 0.40 H new ATOM 0 HG2 ARG A 56 1.033 -5.254 -1.829 1.00 0.74 H new ATOM 0 HG3 ARG A 56 0.645 -3.647 -1.248 1.00 0.74 H new ATOM 0 HD2 ARG A 56 -0.936 -4.709 0.426 1.00 0.84 H new ATOM 0 HD3 ARG A 56 -0.355 -6.279 -0.094 1.00 0.84 H new ATOM 0 HE ARG A 56 1.974 -4.921 0.545 1.00 1.54 H new ATOM 0 HH11 ARG A 56 -1.063 -5.614 2.211 1.00 1.80 H new ATOM 0 HH12 ARG A 56 -0.314 -5.632 3.811 1.00 1.80 H new ATOM 0 HH21 ARG A 56 2.925 -4.941 2.601 1.00 2.57 H new ATOM 0 HH22 ARG A 56 1.935 -5.253 4.031 1.00 2.57 H new ATOM 913 N LEU A 57 -3.049 -5.639 -4.460 1.00 0.29 N ATOM 914 CA LEU A 57 -4.365 -5.542 -5.092 1.00 0.34 C ATOM 915 C LEU A 57 -5.177 -6.791 -4.819 1.00 0.32 C ATOM 916 O LEU A 57 -6.238 -6.724 -4.205 1.00 0.40 O ATOM 917 CB LEU A 57 -4.246 -5.357 -6.602 1.00 0.45 C ATOM 918 CG LEU A 57 -3.657 -4.028 -7.047 1.00 0.58 C ATOM 919 CD1 LEU A 57 -3.495 -4.006 -8.559 1.00 1.09 C ATOM 920 CD2 LEU A 57 -4.531 -2.870 -6.587 1.00 1.03 C ATOM 0 H LEU A 57 -2.263 -5.474 -5.089 1.00 0.29 H new ATOM 0 HA LEU A 57 -4.864 -4.672 -4.665 1.00 0.34 H new ATOM 0 HB2 LEU A 57 -3.630 -6.162 -7.003 1.00 0.45 H new ATOM 0 HB3 LEU A 57 -5.237 -5.463 -7.044 1.00 0.45 H new ATOM 0 HG LEU A 57 -2.675 -3.914 -6.588 1.00 0.58 H new ATOM 0 HD11 LEU A 57 -3.072 -3.049 -8.866 1.00 1.09 H new ATOM 0 HD12 LEU A 57 -2.828 -4.812 -8.865 1.00 1.09 H new ATOM 0 HD13 LEU A 57 -4.468 -4.141 -9.031 1.00 1.09 H new ATOM 0 HD21 LEU A 57 -4.091 -1.929 -6.916 1.00 1.03 H new ATOM 0 HD22 LEU A 57 -5.528 -2.974 -7.016 1.00 1.03 H new ATOM 0 HD23 LEU A 57 -4.601 -2.877 -5.499 1.00 1.03 H new ATOM 932 N ARG A 58 -4.674 -7.929 -5.284 1.00 0.33 N ATOM 933 CA ARG A 58 -5.357 -9.193 -5.078 1.00 0.40 C ATOM 934 C ARG A 58 -5.668 -9.373 -3.603 1.00 0.39 C ATOM 935 O ARG A 58 -6.691 -9.947 -3.239 1.00 0.47 O ATOM 936 CB ARG A 58 -4.501 -10.354 -5.587 1.00 0.49 C ATOM 937 CG ARG A 58 -3.257 -10.616 -4.754 1.00 0.55 C ATOM 938 CD ARG A 58 -2.515 -11.851 -5.237 1.00 0.67 C ATOM 939 NE ARG A 58 -1.981 -11.685 -6.587 1.00 1.20 N ATOM 940 CZ ARG A 58 -1.373 -12.654 -7.265 1.00 1.40 C ATOM 941 NH1 ARG A 58 -1.223 -13.856 -6.723 1.00 0.89 N ATOM 942 NH2 ARG A 58 -0.914 -12.423 -8.488 1.00 2.29 N ATOM 0 H ARG A 58 -3.799 -7.999 -5.804 1.00 0.33 H new ATOM 0 HA ARG A 58 -6.291 -9.185 -5.640 1.00 0.40 H new ATOM 0 HB2 ARG A 58 -5.109 -11.258 -5.608 1.00 0.49 H new ATOM 0 HB3 ARG A 58 -4.201 -10.148 -6.614 1.00 0.49 H new ATOM 0 HG2 ARG A 58 -2.596 -9.751 -4.803 1.00 0.55 H new ATOM 0 HG3 ARG A 58 -3.538 -10.744 -3.709 1.00 0.55 H new ATOM 0 HD2 ARG A 58 -1.698 -12.073 -4.550 1.00 0.67 H new ATOM 0 HD3 ARG A 58 -3.189 -12.708 -5.218 1.00 0.67 H new ATOM 0 HE ARG A 58 -2.080 -10.774 -7.035 1.00 1.20 H new ATOM 0 HH11 ARG A 58 -1.575 -14.039 -5.783 1.00 0.89 H new ATOM 0 HH12 ARG A 58 -0.756 -14.597 -7.246 1.00 0.89 H new ATOM 0 HH21 ARG A 58 -1.027 -11.501 -8.910 1.00 2.29 H new ATOM 0 HH22 ARG A 58 -0.448 -13.167 -9.007 1.00 2.29 H new ATOM 956 N HIS A 59 -4.774 -8.870 -2.757 1.00 0.38 N ATOM 957 CA HIS A 59 -4.968 -8.968 -1.309 1.00 0.50 C ATOM 958 C HIS A 59 -6.167 -8.130 -0.864 1.00 0.44 C ATOM 959 O HIS A 59 -7.069 -8.622 -0.176 1.00 0.46 O ATOM 960 CB HIS A 59 -3.707 -8.518 -0.566 1.00 0.68 C ATOM 961 CG HIS A 59 -3.735 -8.823 0.901 1.00 1.36 C ATOM 962 ND1 HIS A 59 -3.159 -9.953 1.445 1.00 1.75 N ATOM 963 CD2 HIS A 59 -4.269 -8.138 1.941 1.00 2.34 C ATOM 964 CE1 HIS A 59 -3.338 -9.949 2.754 1.00 2.36 C ATOM 965 NE2 HIS A 59 -4.008 -8.860 3.081 1.00 2.78 N ATOM 0 H HIS A 59 -3.917 -8.395 -3.041 1.00 0.38 H new ATOM 0 HA HIS A 59 -5.165 -10.012 -1.065 1.00 0.50 H new ATOM 0 HB2 HIS A 59 -2.839 -9.003 -1.013 1.00 0.68 H new ATOM 0 HB3 HIS A 59 -3.578 -7.444 -0.703 1.00 0.68 H new ATOM 0 HD2 HIS A 59 -4.801 -7.200 1.885 1.00 2.34 H new ATOM 0 HE1 HIS A 59 -2.994 -10.709 3.440 1.00 2.36 H new ATOM 0 HE2 HIS A 59 -4.287 -8.597 4.026 1.00 2.78 H new ATOM 974 N TYR A 60 -6.180 -6.868 -1.277 1.00 0.49 N ATOM 975 CA TYR A 60 -7.262 -5.962 -0.927 1.00 0.63 C ATOM 976 C TYR A 60 -8.562 -6.452 -1.554 1.00 0.51 C ATOM 977 O TYR A 60 -9.648 -6.208 -1.033 1.00 0.55 O ATOM 978 CB TYR A 60 -6.939 -4.538 -1.393 1.00 0.94 C ATOM 979 CG TYR A 60 -5.852 -3.855 -0.585 1.00 0.47 C ATOM 980 CD1 TYR A 60 -6.073 -3.463 0.729 1.00 1.22 C ATOM 981 CD2 TYR A 60 -4.599 -3.615 -1.132 1.00 0.97 C ATOM 982 CE1 TYR A 60 -5.078 -2.848 1.468 1.00 2.23 C ATOM 983 CE2 TYR A 60 -3.598 -3.006 -0.403 1.00 1.87 C ATOM 984 CZ TYR A 60 -3.870 -2.582 0.900 1.00 2.50 C ATOM 985 OH TYR A 60 -2.853 -2.007 1.629 1.00 3.56 O ATOM 0 H TYR A 60 -5.451 -6.450 -1.856 1.00 0.49 H new ATOM 0 HA TYR A 60 -7.378 -5.944 0.157 1.00 0.63 H new ATOM 0 HB2 TYR A 60 -6.634 -4.570 -2.439 1.00 0.94 H new ATOM 0 HB3 TYR A 60 -7.846 -3.936 -1.344 1.00 0.94 H new ATOM 0 HD1 TYR A 60 -7.037 -3.641 1.181 1.00 1.22 H new ATOM 0 HD2 TYR A 60 -4.403 -3.912 -2.152 1.00 0.97 H new ATOM 0 HE1 TYR A 60 -5.260 -2.578 2.498 1.00 2.23 H new ATOM 0 HE2 TYR A 60 -2.618 -2.859 -0.834 1.00 1.87 H new ATOM 0 HH TYR A 60 -2.006 -2.109 1.146 1.00 3.56 H new ATOM 995 N ARG A 61 -8.429 -7.141 -2.685 1.00 0.49 N ATOM 996 CA ARG A 61 -9.574 -7.695 -3.387 1.00 0.60 C ATOM 997 C ARG A 61 -10.161 -8.846 -2.589 1.00 0.51 C ATOM 998 O ARG A 61 -11.372 -8.939 -2.430 1.00 0.58 O ATOM 999 CB ARG A 61 -9.172 -8.178 -4.783 1.00 0.74 C ATOM 1000 CG ARG A 61 -8.815 -7.052 -5.742 1.00 1.16 C ATOM 1001 CD ARG A 61 -8.204 -7.590 -7.026 1.00 1.30 C ATOM 1002 NE ARG A 61 -7.667 -6.521 -7.866 1.00 2.29 N ATOM 1003 CZ ARG A 61 -6.776 -6.722 -8.834 1.00 2.72 C ATOM 1004 NH1 ARG A 61 -6.328 -7.943 -9.086 1.00 2.33 N ATOM 1005 NH2 ARG A 61 -6.333 -5.697 -9.551 1.00 3.83 N ATOM 0 H ARG A 61 -7.532 -7.327 -3.134 1.00 0.49 H new ATOM 0 HA ARG A 61 -10.325 -6.913 -3.496 1.00 0.60 H new ATOM 0 HB2 ARG A 61 -8.319 -8.851 -4.693 1.00 0.74 H new ATOM 0 HB3 ARG A 61 -9.992 -8.758 -5.207 1.00 0.74 H new ATOM 0 HG2 ARG A 61 -9.709 -6.475 -5.977 1.00 1.16 H new ATOM 0 HG3 ARG A 61 -8.113 -6.371 -5.261 1.00 1.16 H new ATOM 0 HD2 ARG A 61 -7.408 -8.294 -6.782 1.00 1.30 H new ATOM 0 HD3 ARG A 61 -8.960 -8.144 -7.583 1.00 1.30 H new ATOM 0 HE ARG A 61 -7.993 -5.569 -7.701 1.00 2.29 H new ATOM 0 HH11 ARG A 61 -6.666 -8.734 -8.537 1.00 2.33 H new ATOM 0 HH12 ARG A 61 -5.645 -8.092 -9.829 1.00 2.33 H new ATOM 0 HH21 ARG A 61 -6.675 -4.755 -9.360 1.00 3.83 H new ATOM 0 HH22 ARG A 61 -5.650 -5.851 -10.293 1.00 3.83 H new ATOM 1019 N GLN A 62 -9.290 -9.707 -2.066 1.00 0.42 N ATOM 1020 CA GLN A 62 -9.730 -10.849 -1.275 1.00 0.44 C ATOM 1021 C GLN A 62 -10.763 -10.402 -0.254 1.00 0.34 C ATOM 1022 O GLN A 62 -11.797 -11.051 -0.068 1.00 0.41 O ATOM 1023 CB GLN A 62 -8.541 -11.508 -0.572 1.00 0.49 C ATOM 1024 CG GLN A 62 -7.680 -12.349 -1.500 1.00 0.65 C ATOM 1025 CD GLN A 62 -6.404 -12.833 -0.837 1.00 1.17 C ATOM 1026 OE1 GLN A 62 -6.361 -13.048 0.373 1.00 1.68 O ATOM 1027 NE2 GLN A 62 -5.355 -13.007 -1.635 1.00 1.32 N ATOM 0 H GLN A 62 -8.279 -9.634 -2.177 1.00 0.42 H new ATOM 0 HA GLN A 62 -10.182 -11.583 -1.942 1.00 0.44 H new ATOM 0 HB2 GLN A 62 -7.923 -10.734 -0.117 1.00 0.49 H new ATOM 0 HB3 GLN A 62 -8.911 -12.137 0.238 1.00 0.49 H new ATOM 0 HG2 GLN A 62 -8.255 -13.209 -1.843 1.00 0.65 H new ATOM 0 HG3 GLN A 62 -7.426 -11.763 -2.383 1.00 0.65 H new ATOM 0 HE21 GLN A 62 -5.437 -12.816 -2.634 1.00 1.32 H new ATOM 0 HE22 GLN A 62 -4.469 -13.331 -1.249 1.00 1.32 H new ATOM 1036 N LEU A 63 -10.487 -9.280 0.400 1.00 0.31 N ATOM 1037 CA LEU A 63 -11.412 -8.742 1.385 1.00 0.40 C ATOM 1038 C LEU A 63 -12.554 -8.004 0.698 1.00 0.49 C ATOM 1039 O LEU A 63 -13.713 -8.196 1.051 1.00 0.75 O ATOM 1040 CB LEU A 63 -10.698 -7.805 2.367 1.00 0.62 C ATOM 1041 CG LEU A 63 -9.738 -8.483 3.354 1.00 0.66 C ATOM 1042 CD1 LEU A 63 -10.440 -9.601 4.111 1.00 1.45 C ATOM 1043 CD2 LEU A 63 -8.509 -9.015 2.632 1.00 1.57 C ATOM 0 H LEU A 63 -9.638 -8.731 0.267 1.00 0.31 H new ATOM 0 HA LEU A 63 -11.819 -9.581 1.949 1.00 0.40 H new ATOM 0 HB2 LEU A 63 -10.138 -7.066 1.794 1.00 0.62 H new ATOM 0 HB3 LEU A 63 -11.452 -7.262 2.937 1.00 0.62 H new ATOM 0 HG LEU A 63 -9.413 -7.734 4.077 1.00 0.66 H new ATOM 0 HD11 LEU A 63 -9.740 -10.067 4.804 1.00 1.45 H new ATOM 0 HD12 LEU A 63 -11.283 -9.190 4.667 1.00 1.45 H new ATOM 0 HD13 LEU A 63 -10.801 -10.348 3.404 1.00 1.45 H new ATOM 0 HD21 LEU A 63 -7.842 -9.491 3.351 1.00 1.57 H new ATOM 0 HD22 LEU A 63 -8.815 -9.744 1.882 1.00 1.57 H new ATOM 0 HD23 LEU A 63 -7.988 -8.191 2.145 1.00 1.57 H new ATOM 1055 N SER A 64 -12.227 -7.212 -0.328 1.00 0.43 N ATOM 1056 CA SER A 64 -13.230 -6.426 -1.054 1.00 0.60 C ATOM 1057 C SER A 64 -14.470 -7.261 -1.367 1.00 0.76 C ATOM 1058 O SER A 64 -15.546 -6.722 -1.629 1.00 0.99 O ATOM 1059 CB SER A 64 -12.639 -5.860 -2.347 1.00 0.65 C ATOM 1060 OG SER A 64 -12.570 -6.847 -3.357 1.00 1.62 O ATOM 0 H SER A 64 -11.275 -7.098 -0.675 1.00 0.43 H new ATOM 0 HA SER A 64 -13.530 -5.599 -0.410 1.00 0.60 H new ATOM 0 HB2 SER A 64 -13.249 -5.025 -2.693 1.00 0.65 H new ATOM 0 HB3 SER A 64 -11.641 -5.467 -2.151 1.00 0.65 H new ATOM 0 HG SER A 64 -12.217 -7.679 -2.978 1.00 1.62 H new ATOM 1066 N LEU A 65 -14.307 -8.579 -1.337 1.00 0.70 N ATOM 1067 CA LEU A 65 -15.417 -9.488 -1.580 1.00 0.88 C ATOM 1068 C LEU A 65 -16.032 -9.925 -0.250 1.00 0.97 C ATOM 1069 O LEU A 65 -17.240 -9.802 -0.044 1.00 1.35 O ATOM 1070 CB LEU A 65 -14.971 -10.728 -2.373 1.00 0.91 C ATOM 1071 CG LEU A 65 -13.617 -10.627 -3.082 1.00 1.53 C ATOM 1072 CD1 LEU A 65 -13.269 -11.952 -3.744 1.00 2.32 C ATOM 1073 CD2 LEU A 65 -13.617 -9.505 -4.114 1.00 1.80 C ATOM 0 H LEU A 65 -13.417 -9.040 -1.147 1.00 0.70 H new ATOM 0 HA LEU A 65 -16.159 -8.955 -2.174 1.00 0.88 H new ATOM 0 HB2 LEU A 65 -14.938 -11.577 -1.691 1.00 0.91 H new ATOM 0 HB3 LEU A 65 -15.733 -10.949 -3.120 1.00 0.91 H new ATOM 0 HG LEU A 65 -12.860 -10.395 -2.332 1.00 1.53 H new ATOM 0 HD11 LEU A 65 -12.304 -11.866 -4.244 1.00 2.32 H new ATOM 0 HD12 LEU A 65 -13.217 -12.734 -2.987 1.00 2.32 H new ATOM 0 HD13 LEU A 65 -14.036 -12.206 -4.476 1.00 2.32 H new ATOM 0 HD21 LEU A 65 -12.643 -9.458 -4.600 1.00 1.80 H new ATOM 0 HD22 LEU A 65 -14.387 -9.698 -4.861 1.00 1.80 H new ATOM 0 HD23 LEU A 65 -13.822 -8.556 -3.619 1.00 1.80 H new ATOM 1085 N GLN A 66 -15.189 -10.437 0.650 1.00 0.75 N ATOM 1086 CA GLN A 66 -15.644 -10.901 1.963 1.00 0.88 C ATOM 1087 C GLN A 66 -16.310 -9.795 2.796 1.00 0.97 C ATOM 1088 O GLN A 66 -17.445 -9.961 3.246 1.00 1.15 O ATOM 1089 CB GLN A 66 -14.474 -11.554 2.734 1.00 0.83 C ATOM 1090 CG GLN A 66 -13.803 -10.669 3.785 1.00 0.81 C ATOM 1091 CD GLN A 66 -14.682 -10.430 5.002 1.00 0.93 C ATOM 1092 OE1 GLN A 66 -14.625 -9.217 5.542 1.00 0.97 O flip ATOM 1093 NE2 GLN A 66 -15.417 -11.317 5.436 1.00 1.04 N flip ATOM 0 H GLN A 66 -14.186 -10.541 0.493 1.00 0.75 H new ATOM 0 HA GLN A 66 -16.417 -11.649 1.787 1.00 0.88 H new ATOM 0 HB2 GLN A 66 -14.843 -12.455 3.225 1.00 0.83 H new ATOM 0 HB3 GLN A 66 -13.719 -11.870 2.014 1.00 0.83 H new ATOM 0 HG2 GLN A 66 -12.870 -11.134 4.102 1.00 0.81 H new ATOM 0 HG3 GLN A 66 -13.545 -9.710 3.335 1.00 0.81 H new ATOM 0 HE21 GLN A 66 -15.428 -12.234 4.990 1.00 1.04 H new ATOM 0 HE22 GLN A 66 -16.015 -11.135 6.242 1.00 1.04 H new ATOM 1102 N LEU A 67 -15.617 -8.673 3.008 1.00 0.88 N ATOM 1103 CA LEU A 67 -16.161 -7.590 3.827 1.00 1.03 C ATOM 1104 C LEU A 67 -17.359 -6.918 3.163 1.00 1.14 C ATOM 1105 O LEU A 67 -17.587 -7.076 1.964 1.00 1.17 O ATOM 1106 CB LEU A 67 -15.068 -6.574 4.179 1.00 0.95 C ATOM 1107 CG LEU A 67 -14.093 -6.271 3.059 1.00 1.23 C ATOM 1108 CD1 LEU A 67 -14.855 -5.741 1.866 1.00 1.87 C ATOM 1109 CD2 LEU A 67 -13.024 -5.293 3.516 1.00 1.86 C ATOM 0 H LEU A 67 -14.688 -8.493 2.628 1.00 0.88 H new ATOM 0 HA LEU A 67 -16.524 -8.030 4.756 1.00 1.03 H new ATOM 0 HB2 LEU A 67 -15.544 -5.643 4.489 1.00 0.95 H new ATOM 0 HB3 LEU A 67 -14.509 -6.947 5.037 1.00 0.95 H new ATOM 0 HG LEU A 67 -13.580 -7.188 2.770 1.00 1.23 H new ATOM 0 HD11 LEU A 67 -14.158 -5.521 1.057 1.00 1.87 H new ATOM 0 HD12 LEU A 67 -15.574 -6.489 1.532 1.00 1.87 H new ATOM 0 HD13 LEU A 67 -15.383 -4.830 2.147 1.00 1.87 H new ATOM 0 HD21 LEU A 67 -12.338 -5.093 2.693 1.00 1.86 H new ATOM 0 HD22 LEU A 67 -13.494 -4.361 3.831 1.00 1.86 H new ATOM 0 HD23 LEU A 67 -12.472 -5.722 4.352 1.00 1.86 H new ATOM 1121 N PRO A 68 -18.148 -6.160 3.946 1.00 1.32 N ATOM 1122 CA PRO A 68 -19.340 -5.482 3.453 1.00 1.51 C ATOM 1123 C PRO A 68 -19.051 -4.114 2.834 1.00 1.30 C ATOM 1124 O PRO A 68 -18.501 -4.027 1.735 1.00 1.48 O ATOM 1125 CB PRO A 68 -20.142 -5.339 4.732 1.00 1.82 C ATOM 1126 CG PRO A 68 -19.104 -5.004 5.731 1.00 1.71 C ATOM 1127 CD PRO A 68 -17.950 -5.901 5.392 1.00 1.46 C ATOM 0 HA PRO A 68 -19.835 -6.025 2.648 1.00 1.51 H new ATOM 0 HB2 PRO A 68 -20.895 -4.555 4.652 1.00 1.82 H new ATOM 0 HB3 PRO A 68 -20.666 -6.260 4.986 1.00 1.82 H new ATOM 0 HG2 PRO A 68 -18.820 -3.953 5.671 1.00 1.71 H new ATOM 0 HG3 PRO A 68 -19.459 -5.181 6.746 1.00 1.71 H new ATOM 0 HD2 PRO A 68 -16.992 -5.420 5.589 1.00 1.46 H new ATOM 0 HD3 PRO A 68 -17.969 -6.822 5.974 1.00 1.46 H new ATOM 1135 N LYS A 69 -19.425 -3.048 3.544 1.00 1.27 N ATOM 1136 CA LYS A 69 -19.219 -1.699 3.060 1.00 1.31 C ATOM 1137 C LYS A 69 -18.247 -0.937 3.949 1.00 1.57 C ATOM 1138 O LYS A 69 -18.003 0.251 3.742 1.00 2.36 O ATOM 1139 CB LYS A 69 -20.551 -0.963 2.997 1.00 2.04 C ATOM 1140 CG LYS A 69 -21.551 -1.624 2.067 1.00 2.94 C ATOM 1141 CD LYS A 69 -22.968 -1.139 2.331 1.00 3.72 C ATOM 1142 CE LYS A 69 -23.519 -1.705 3.631 1.00 4.17 C ATOM 1143 NZ LYS A 69 -24.862 -1.148 3.953 1.00 4.86 N ATOM 0 H LYS A 69 -19.873 -3.103 4.459 1.00 1.27 H new ATOM 0 HA LYS A 69 -18.788 -1.759 2.061 1.00 1.31 H new ATOM 0 HB2 LYS A 69 -20.977 -0.908 3.999 1.00 2.04 H new ATOM 0 HB3 LYS A 69 -20.378 0.061 2.667 1.00 2.04 H new ATOM 0 HG2 LYS A 69 -21.281 -1.413 1.032 1.00 2.94 H new ATOM 0 HG3 LYS A 69 -21.507 -2.706 2.194 1.00 2.94 H new ATOM 0 HD2 LYS A 69 -22.979 -0.050 2.374 1.00 3.72 H new ATOM 0 HD3 LYS A 69 -23.614 -1.432 1.503 1.00 3.72 H new ATOM 0 HE2 LYS A 69 -23.585 -2.790 3.556 1.00 4.17 H new ATOM 0 HE3 LYS A 69 -22.829 -1.483 4.445 1.00 4.17 H new ATOM 0 HZ1 LYS A 69 -25.203 -1.558 4.846 1.00 4.86 H new ATOM 0 HZ2 LYS A 69 -24.795 -0.115 4.050 1.00 4.86 H new ATOM 0 HZ3 LYS A 69 -25.527 -1.382 3.188 1.00 4.86 H new