USER MOD reduce.3.24.130724 H: found=0, std=0, add=417, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 417 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 5 THR OG1 : rot -93:sc= 0.919 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot -157:sc= 0.808 USER MOD Single : A 16 ASN : amide:sc=-0.00151 K(o=-0.0015,f=-1.1) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.179 USER MOD Single : A 23 ASN : amide:sc= -0.0658 K(o=-0.066,f=-1) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 1.24 (180deg=1.24) USER MOD Single : A 46 SER OG : rot -74:sc= 1.3 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot -99:sc= 1.46 USER MOD Single : A 53 ASN : amide:sc= 0 K(o=0,f=-0.98) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -0.159 K(o=-0.16,f=-0.91) USER MOD ----------------------------------------------------------------- ATOM 11 N PRO A 2 -3.037 -3.677 -11.064 1.00 1.00 N ATOM 12 CA PRO A 2 -4.174 -2.854 -10.618 1.00 1.00 C ATOM 13 C PRO A 2 -3.693 -1.821 -9.619 1.00 1.00 C ATOM 14 O PRO A 2 -2.533 -1.808 -9.206 1.00 1.00 O ATOM 15 CB PRO A 2 -5.085 -3.891 -9.938 1.00 1.00 C ATOM 16 CG PRO A 2 -4.147 -4.827 -9.305 1.00 1.00 C ATOM 17 CD PRO A 2 -2.964 -4.900 -10.244 1.00 1.00 C ATOM 0 HA PRO A 2 -4.671 -2.303 -11.416 1.00 1.00 H new ATOM 0 HB2 PRO A 2 -5.741 -3.425 -9.203 1.00 1.00 H new ATOM 0 HB3 PRO A 2 -5.725 -4.396 -10.662 1.00 1.00 H new ATOM 0 HG2 PRO A 2 -3.845 -4.475 -8.318 1.00 1.00 H new ATOM 0 HG3 PRO A 2 -4.602 -5.808 -9.168 1.00 1.00 H new ATOM 0 HD2 PRO A 2 -2.026 -4.946 -9.691 1.00 1.00 H new ATOM 0 HD3 PRO A 2 -3.011 -5.793 -10.867 1.00 1.00 H new ATOM 25 N TRP A 3 -4.575 -0.903 -9.281 1.00 1.00 N ATOM 26 CA TRP A 3 -4.379 0.038 -8.189 1.00 1.00 C ATOM 27 C TRP A 3 -5.403 -0.231 -7.087 1.00 1.00 C ATOM 28 O TRP A 3 -6.381 -0.938 -7.275 1.00 1.00 O ATOM 29 CB TRP A 3 -4.450 1.484 -8.682 1.00 1.00 C ATOM 30 CG TRP A 3 -5.745 1.904 -9.342 1.00 1.00 C ATOM 31 CD1 TRP A 3 -6.034 1.853 -10.673 1.00 1.00 C ATOM 32 CD2 TRP A 3 -6.882 2.487 -8.713 1.00 1.00 C ATOM 33 NE1 TRP A 3 -7.285 2.360 -10.897 1.00 1.00 N ATOM 34 CE2 TRP A 3 -7.824 2.770 -9.718 1.00 1.00 C ATOM 35 CE3 TRP A 3 -7.186 2.841 -7.403 1.00 1.00 C ATOM 36 CZ2 TRP A 3 -9.070 3.340 -9.442 1.00 1.00 C ATOM 37 CZ3 TRP A 3 -8.412 3.416 -7.145 1.00 1.00 C ATOM 38 CH2 TRP A 3 -9.333 3.654 -8.158 1.00 1.00 C ATOM 0 H TRP A 3 -5.466 -0.785 -9.764 1.00 1.00 H new ATOM 0 HA TRP A 3 -3.380 -0.106 -7.776 1.00 1.00 H new ATOM 0 HB2 TRP A 3 -4.268 2.144 -7.834 1.00 1.00 H new ATOM 0 HB3 TRP A 3 -3.637 1.644 -9.390 1.00 1.00 H new ATOM 0 HD1 TRP A 3 -5.374 1.470 -11.437 1.00 1.00 H new ATOM 0 HE1 TRP A 3 -7.742 2.421 -11.807 1.00 1.00 H new ATOM 0 HE3 TRP A 3 -6.478 2.669 -6.606 1.00 1.00 H new ATOM 0 HZ2 TRP A 3 -9.792 3.521 -10.225 1.00 1.00 H new ATOM 0 HZ3 TRP A 3 -8.663 3.688 -6.130 1.00 1.00 H new ATOM 0 HH2 TRP A 3 -10.284 4.102 -7.910 1.00 1.00 H new ATOM 49 N ALA A 4 -5.148 0.344 -5.927 1.00 1.00 N ATOM 50 CA ALA A 4 -5.972 0.142 -4.759 1.00 1.00 C ATOM 51 C ALA A 4 -6.084 1.406 -3.932 1.00 1.00 C ATOM 52 O ALA A 4 -5.293 2.340 -4.078 1.00 1.00 O ATOM 53 CB ALA A 4 -5.360 -0.971 -3.902 1.00 1.00 C ATOM 0 H ALA A 4 -4.356 0.968 -5.772 1.00 1.00 H new ATOM 0 HA ALA A 4 -6.973 -0.135 -5.090 1.00 1.00 H new ATOM 0 HB1 ALA A 4 -5.977 -1.130 -3.017 1.00 1.00 H new ATOM 0 HB2 ALA A 4 -5.313 -1.893 -4.482 1.00 1.00 H new ATOM 0 HB3 ALA A 4 -4.354 -0.683 -3.596 1.00 1.00 H new ATOM 59 N THR A 5 -7.061 1.415 -3.044 1.00 1.00 N ATOM 60 CA THR A 5 -7.308 2.526 -2.132 1.00 1.00 C ATOM 61 C THR A 5 -7.055 2.039 -0.711 1.00 1.00 C ATOM 62 O THR A 5 -7.538 0.979 -0.316 1.00 1.00 O ATOM 63 CB THR A 5 -8.762 3.017 -2.249 1.00 1.00 C ATOM 64 OG1 THR A 5 -9.634 1.877 -2.219 1.00 1.00 O ATOM 65 CG2 THR A 5 -8.993 3.713 -3.572 1.00 1.00 C ATOM 0 H THR A 5 -7.717 0.642 -2.931 1.00 1.00 H new ATOM 0 HA THR A 5 -6.646 3.355 -2.384 1.00 1.00 H new ATOM 0 HB THR A 5 -8.957 3.707 -1.428 1.00 1.00 H new ATOM 0 HG1 THR A 5 -9.821 1.584 -3.135 1.00 1.00 H new ATOM 0 HG21 THR A 5 -10.028 4.050 -3.630 1.00 1.00 H new ATOM 0 HG22 THR A 5 -8.326 4.572 -3.653 1.00 1.00 H new ATOM 0 HG23 THR A 5 -8.791 3.019 -4.388 1.00 1.00 H new ATOM 73 N ALA A 6 -6.253 2.780 0.037 1.00 1.00 N ATOM 74 CA ALA A 6 -5.948 2.399 1.404 1.00 1.00 C ATOM 75 C ALA A 6 -7.196 2.471 2.262 1.00 1.00 C ATOM 76 O ALA A 6 -7.958 3.443 2.230 1.00 1.00 O ATOM 77 CB ALA A 6 -4.891 3.335 1.966 1.00 1.00 C ATOM 0 H ALA A 6 -5.806 3.641 -0.277 1.00 1.00 H new ATOM 0 HA ALA A 6 -5.575 1.375 1.411 1.00 1.00 H new ATOM 0 HB1 ALA A 6 -4.661 3.050 2.993 1.00 1.00 H new ATOM 0 HB2 ALA A 6 -3.987 3.269 1.360 1.00 1.00 H new ATOM 0 HB3 ALA A 6 -5.265 4.359 1.949 1.00 1.00 H new ATOM 83 N GLU A 7 -7.396 1.427 3.054 1.00 1.00 N ATOM 84 CA GLU A 7 -8.547 1.373 3.951 1.00 1.00 C ATOM 85 C GLU A 7 -8.172 1.788 5.366 1.00 1.00 C ATOM 86 O GLU A 7 -9.042 2.241 6.116 1.00 1.00 O ATOM 87 CB GLU A 7 -9.070 -0.048 3.995 1.00 1.00 C ATOM 88 CG GLU A 7 -9.628 -0.549 2.676 1.00 1.00 C ATOM 89 CD GLU A 7 -10.831 0.256 2.218 1.00 1.00 C ATOM 90 OE1 GLU A 7 -11.802 0.391 3.003 1.00 1.00 O ATOM 91 OE2 GLU A 7 -10.817 0.733 1.062 1.00 1.00 O ATOM 0 H GLU A 7 -6.784 0.612 3.096 1.00 1.00 H new ATOM 0 HA GLU A 7 -9.303 2.062 3.573 1.00 1.00 H new ATOM 0 HB2 GLU A 7 -8.263 -0.710 4.310 1.00 1.00 H new ATOM 0 HB3 GLU A 7 -9.850 -0.112 4.754 1.00 1.00 H new ATOM 0 HG2 GLU A 7 -8.850 -0.502 1.914 1.00 1.00 H new ATOM 0 HG3 GLU A 7 -9.912 -1.596 2.778 1.00 1.00 H new ATOM 98 N TYR A 8 -6.900 1.628 5.733 1.00 1.00 N ATOM 99 CA TYR A 8 -6.412 1.958 7.070 1.00 1.00 C ATOM 100 C TYR A 8 -5.056 2.596 6.892 1.00 1.00 C ATOM 101 O TYR A 8 -4.335 2.253 5.953 1.00 1.00 O ATOM 102 CB TYR A 8 -6.275 0.696 7.947 1.00 1.00 C ATOM 103 CG TYR A 8 -7.564 -0.065 8.101 1.00 1.00 C ATOM 104 CD1 TYR A 8 -8.509 0.260 9.067 1.00 1.00 C ATOM 105 CD2 TYR A 8 -7.790 -1.174 7.314 1.00 1.00 C ATOM 106 CE1 TYR A 8 -9.678 -0.509 9.201 1.00 1.00 C ATOM 107 CE2 TYR A 8 -8.946 -1.926 7.418 1.00 1.00 C ATOM 108 CZ TYR A 8 -9.864 -1.606 8.371 1.00 1.00 C ATOM 109 OH TYR A 8 -11.016 -2.378 8.457 1.00 1.00 O ATOM 0 H TYR A 8 -6.179 1.265 5.110 1.00 1.00 H new ATOM 0 HA TYR A 8 -7.114 2.626 7.569 1.00 1.00 H new ATOM 0 HB2 TYR A 8 -5.523 0.039 7.510 1.00 1.00 H new ATOM 0 HB3 TYR A 8 -5.912 0.985 8.933 1.00 1.00 H new ATOM 0 HD1 TYR A 8 -8.345 1.107 9.717 1.00 1.00 H new ATOM 0 HD2 TYR A 8 -7.040 -1.465 6.593 1.00 1.00 H new ATOM 0 HE1 TYR A 8 -10.422 -0.250 9.940 1.00 1.00 H new ATOM 0 HE2 TYR A 8 -9.118 -2.758 6.751 1.00 1.00 H new ATOM 0 HH TYR A 8 -10.974 -3.103 7.799 1.00 1.00 H new ATOM 119 N ASP A 9 -4.669 3.465 7.808 1.00 1.00 N ATOM 120 CA ASP A 9 -3.356 4.081 7.778 1.00 1.00 C ATOM 121 C ASP A 9 -2.302 3.011 8.048 1.00 1.00 C ATOM 122 O ASP A 9 -2.462 2.224 8.994 1.00 1.00 O ATOM 123 CB ASP A 9 -3.175 5.130 8.896 1.00 1.00 C ATOM 124 CG ASP A 9 -4.007 6.373 8.758 1.00 1.00 C ATOM 125 OD1 ASP A 9 -4.660 6.622 7.731 1.00 1.00 O ATOM 126 OD2 ASP A 9 -4.034 7.167 9.728 1.00 1.00 O ATOM 0 H ASP A 9 -5.253 3.762 8.590 1.00 1.00 H new ATOM 0 HA ASP A 9 -3.253 4.554 6.801 1.00 1.00 H new ATOM 0 HB2 ASP A 9 -3.410 4.661 9.852 1.00 1.00 H new ATOM 0 HB3 ASP A 9 -2.125 5.419 8.932 1.00 1.00 H new ATOM 131 N TYR A 10 -1.223 2.993 7.273 1.00 1.00 N ATOM 132 CA TYR A 10 -0.130 2.050 7.484 1.00 1.00 C ATOM 133 C TYR A 10 1.150 2.837 7.566 1.00 1.00 C ATOM 134 O TYR A 10 1.489 3.592 6.645 1.00 1.00 O ATOM 135 CB TYR A 10 0.004 0.987 6.383 1.00 1.00 C ATOM 136 CG TYR A 10 1.203 0.112 6.659 1.00 1.00 C ATOM 137 CD1 TYR A 10 1.156 -0.839 7.659 1.00 1.00 C ATOM 138 CD2 TYR A 10 2.410 0.293 6.006 1.00 1.00 C ATOM 139 CE1 TYR A 10 2.247 -1.587 8.003 1.00 1.00 C ATOM 140 CE2 TYR A 10 3.516 -0.469 6.334 1.00 1.00 C ATOM 141 CZ TYR A 10 3.431 -1.391 7.330 1.00 1.00 C ATOM 142 OH TYR A 10 4.522 -2.155 7.718 1.00 1.00 O ATOM 0 H TYR A 10 -1.081 3.627 6.486 1.00 1.00 H new ATOM 0 HA TYR A 10 -0.345 1.506 8.404 1.00 1.00 H new ATOM 0 HB2 TYR A 10 -0.899 0.379 6.341 1.00 1.00 H new ATOM 0 HB3 TYR A 10 0.110 1.469 5.411 1.00 1.00 H new ATOM 0 HD1 TYR A 10 0.227 -0.997 8.187 1.00 1.00 H new ATOM 0 HD2 TYR A 10 2.489 1.040 5.230 1.00 1.00 H new ATOM 0 HE1 TYR A 10 2.181 -2.322 8.792 1.00 1.00 H new ATOM 0 HE2 TYR A 10 4.445 -0.332 5.801 1.00 1.00 H new ATOM 0 HH TYR A 10 5.350 -1.701 7.455 1.00 1.00 H new ATOM 152 N ASP A 11 1.833 2.682 8.688 1.00 1.00 N ATOM 153 CA ASP A 11 3.093 3.365 8.913 1.00 1.00 C ATOM 154 C ASP A 11 4.259 2.427 8.675 1.00 1.00 C ATOM 155 O ASP A 11 4.420 1.441 9.404 1.00 1.00 O ATOM 156 CB ASP A 11 3.173 3.853 10.357 1.00 1.00 C ATOM 157 CG ASP A 11 4.522 4.422 10.723 1.00 1.00 C ATOM 158 OD1 ASP A 11 4.796 5.589 10.429 1.00 1.00 O ATOM 159 OD2 ASP A 11 5.395 3.715 11.275 1.00 1.00 O ATOM 0 H ASP A 11 1.533 2.086 9.460 1.00 1.00 H new ATOM 0 HA ASP A 11 3.144 4.206 8.221 1.00 1.00 H new ATOM 0 HB2 ASP A 11 2.410 4.614 10.518 1.00 1.00 H new ATOM 0 HB3 ASP A 11 2.943 3.024 11.026 1.00 1.00 H new ATOM 164 N ALA A 12 5.086 2.715 7.689 1.00 1.00 N ATOM 165 CA ALA A 12 6.233 1.859 7.454 1.00 1.00 C ATOM 166 C ALA A 12 7.136 1.812 8.673 1.00 1.00 C ATOM 167 O ALA A 12 7.479 2.827 9.255 1.00 1.00 O ATOM 168 CB ALA A 12 7.043 2.377 6.289 1.00 1.00 C ATOM 0 H ALA A 12 4.992 3.509 7.055 1.00 1.00 H new ATOM 0 HA ALA A 12 5.856 0.859 7.239 1.00 1.00 H new ATOM 0 HB1 ALA A 12 7.901 1.725 6.124 1.00 1.00 H new ATOM 0 HB2 ALA A 12 6.422 2.394 5.393 1.00 1.00 H new ATOM 0 HB3 ALA A 12 7.391 3.386 6.508 1.00 1.00 H new ATOM 174 N ALA A 13 7.591 0.609 8.991 1.00 1.00 N ATOM 175 CA ALA A 13 8.534 0.390 10.075 1.00 1.00 C ATOM 176 C ALA A 13 9.916 0.095 9.517 1.00 1.00 C ATOM 177 O ALA A 13 10.861 -0.083 10.277 1.00 1.00 O ATOM 178 CB ALA A 13 8.076 -0.767 10.968 1.00 1.00 C ATOM 0 H ALA A 13 7.316 -0.243 8.503 1.00 1.00 H new ATOM 0 HA ALA A 13 8.577 1.298 10.677 1.00 1.00 H new ATOM 0 HB1 ALA A 13 8.797 -0.913 11.773 1.00 1.00 H new ATOM 0 HB2 ALA A 13 7.100 -0.534 11.393 1.00 1.00 H new ATOM 0 HB3 ALA A 13 8.005 -1.679 10.375 1.00 1.00 H new ATOM 184 N GLU A 14 10.040 -0.012 8.199 1.00 1.00 N ATOM 185 CA GLU A 14 11.314 -0.328 7.564 1.00 1.00 C ATOM 186 C GLU A 14 11.507 0.615 6.397 1.00 1.00 C ATOM 187 O GLU A 14 10.536 1.191 5.891 1.00 1.00 O ATOM 188 CB GLU A 14 11.373 -1.778 7.044 1.00 1.00 C ATOM 189 CG GLU A 14 11.297 -2.857 8.090 1.00 1.00 C ATOM 190 CD GLU A 14 12.469 -2.867 9.068 1.00 1.00 C ATOM 191 OE1 GLU A 14 13.510 -2.276 8.725 1.00 1.00 O ATOM 192 OE2 GLU A 14 12.334 -3.442 10.169 1.00 1.00 O ATOM 0 H GLU A 14 9.268 0.117 7.545 1.00 1.00 H new ATOM 0 HA GLU A 14 12.100 -0.216 8.311 1.00 1.00 H new ATOM 0 HB2 GLU A 14 10.554 -1.924 6.340 1.00 1.00 H new ATOM 0 HB3 GLU A 14 12.300 -1.905 6.486 1.00 1.00 H new ATOM 0 HG2 GLU A 14 10.371 -2.737 8.652 1.00 1.00 H new ATOM 0 HG3 GLU A 14 11.245 -3.826 7.593 1.00 1.00 H new ATOM 199 N ASP A 15 12.732 0.700 5.884 1.00 1.00 N ATOM 200 CA ASP A 15 13.026 1.556 4.749 1.00 1.00 C ATOM 201 C ASP A 15 12.358 1.117 3.459 1.00 1.00 C ATOM 202 O ASP A 15 12.043 1.954 2.630 1.00 1.00 O ATOM 203 CB ASP A 15 14.526 1.633 4.499 1.00 1.00 C ATOM 204 CG ASP A 15 15.138 0.288 4.244 1.00 1.00 C ATOM 205 OD1 ASP A 15 14.685 -0.735 4.792 1.00 1.00 O ATOM 206 OD2 ASP A 15 16.072 0.159 3.416 1.00 1.00 O ATOM 0 H ASP A 15 13.536 0.183 6.241 1.00 1.00 H new ATOM 0 HA ASP A 15 12.623 2.531 5.023 1.00 1.00 H new ATOM 0 HB2 ASP A 15 14.715 2.282 3.644 1.00 1.00 H new ATOM 0 HB3 ASP A 15 15.011 2.091 5.361 1.00 1.00 H new ATOM 211 N ASN A 16 12.125 -0.189 3.311 1.00 1.00 N ATOM 212 CA ASN A 16 11.488 -0.716 2.099 1.00 1.00 C ATOM 213 C ASN A 16 9.960 -0.759 2.153 1.00 1.00 C ATOM 214 O ASN A 16 9.337 -1.238 1.209 1.00 1.00 O ATOM 215 CB ASN A 16 12.060 -2.105 1.744 1.00 1.00 C ATOM 216 CG ASN A 16 13.500 -2.058 1.312 1.00 1.00 C ATOM 217 OD1 ASN A 16 14.028 -1.038 0.967 1.00 1.00 O ATOM 218 ND2 ASN A 16 14.163 -3.219 1.344 1.00 1.00 N ATOM 0 H ASN A 16 12.364 -0.896 4.006 1.00 1.00 H new ATOM 0 HA ASN A 16 11.731 -0.005 1.309 1.00 1.00 H new ATOM 0 HB2 ASN A 16 11.968 -2.761 2.610 1.00 1.00 H new ATOM 0 HB3 ASN A 16 11.462 -2.544 0.946 1.00 1.00 H new ATOM 0 HD21 ASN A 16 15.145 -3.253 1.070 1.00 1.00 H new ATOM 0 HD22 ASN A 16 13.687 -4.070 1.642 1.00 1.00 H new ATOM 225 N GLU A 17 9.359 -0.216 3.214 1.00 1.00 N ATOM 226 CA GLU A 17 7.908 -0.206 3.369 1.00 1.00 C ATOM 227 C GLU A 17 7.306 1.154 3.092 1.00 1.00 C ATOM 228 O GLU A 17 7.834 2.188 3.514 1.00 1.00 O ATOM 229 CB GLU A 17 7.541 -0.614 4.794 1.00 1.00 C ATOM 230 CG GLU A 17 7.844 -2.072 5.053 1.00 1.00 C ATOM 231 CD GLU A 17 7.612 -2.509 6.473 1.00 1.00 C ATOM 232 OE1 GLU A 17 7.249 -1.655 7.304 1.00 1.00 O ATOM 233 OE2 GLU A 17 7.782 -3.717 6.752 1.00 1.00 O ATOM 0 H GLU A 17 9.863 0.225 3.983 1.00 1.00 H new ATOM 0 HA GLU A 17 7.506 -0.912 2.642 1.00 1.00 H new ATOM 0 HB2 GLU A 17 8.092 0.004 5.503 1.00 1.00 H new ATOM 0 HB3 GLU A 17 6.481 -0.427 4.965 1.00 1.00 H new ATOM 0 HG2 GLU A 17 7.228 -2.682 4.392 1.00 1.00 H new ATOM 0 HG3 GLU A 17 8.884 -2.267 4.790 1.00 1.00 H new ATOM 240 N LEU A 18 6.192 1.160 2.356 1.00 1.00 N ATOM 241 CA LEU A 18 5.457 2.389 2.065 1.00 1.00 C ATOM 242 C LEU A 18 4.688 2.850 3.292 1.00 1.00 C ATOM 243 O LEU A 18 4.168 2.045 4.071 1.00 1.00 O ATOM 244 CB LEU A 18 4.420 2.140 0.973 1.00 1.00 C ATOM 245 CG LEU A 18 4.916 1.840 -0.432 1.00 1.00 C ATOM 246 CD1 LEU A 18 3.789 1.379 -1.346 1.00 1.00 C ATOM 247 CD2 LEU A 18 5.536 3.079 -0.985 1.00 1.00 C ATOM 0 H LEU A 18 5.779 0.321 1.949 1.00 1.00 H new ATOM 0 HA LEU A 18 6.186 3.137 1.754 1.00 1.00 H new ATOM 0 HB2 LEU A 18 3.795 1.305 1.291 1.00 1.00 H new ATOM 0 HB3 LEU A 18 3.776 3.018 0.919 1.00 1.00 H new ATOM 0 HG LEU A 18 5.643 1.030 -0.380 1.00 1.00 H new ATOM 0 HD11 LEU A 18 4.187 1.175 -2.340 1.00 1.00 H new ATOM 0 HD12 LEU A 18 3.341 0.471 -0.942 1.00 1.00 H new ATOM 0 HD13 LEU A 18 3.031 2.160 -1.411 1.00 1.00 H new ATOM 0 HD21 LEU A 18 5.899 2.885 -1.994 1.00 1.00 H new ATOM 0 HD22 LEU A 18 4.793 3.876 -1.014 1.00 1.00 H new ATOM 0 HD23 LEU A 18 6.370 3.383 -0.352 1.00 1.00 H new ATOM 259 N THR A 19 4.608 4.153 3.431 1.00 1.00 N ATOM 260 CA THR A 19 3.856 4.837 4.469 1.00 1.00 C ATOM 261 C THR A 19 2.709 5.547 3.756 1.00 1.00 C ATOM 262 O THR A 19 2.946 6.229 2.775 1.00 1.00 O ATOM 263 CB THR A 19 4.733 5.871 5.194 1.00 1.00 C ATOM 264 OG1 THR A 19 5.733 5.184 5.937 1.00 1.00 O ATOM 265 CG2 THR A 19 3.935 6.719 6.193 1.00 1.00 C ATOM 0 H THR A 19 5.084 4.797 2.799 1.00 1.00 H new ATOM 0 HA THR A 19 3.500 4.132 5.220 1.00 1.00 H new ATOM 0 HB THR A 19 5.154 6.526 4.431 1.00 1.00 H new ATOM 0 HG1 THR A 19 6.299 5.834 6.402 1.00 1.00 H new ATOM 0 HG21 THR A 19 4.601 7.433 6.678 1.00 1.00 H new ATOM 0 HG22 THR A 19 3.147 7.257 5.666 1.00 1.00 H new ATOM 0 HG23 THR A 19 3.489 6.070 6.946 1.00 1.00 H new ATOM 273 N PHE A 20 1.477 5.364 4.238 1.00 1.00 N ATOM 274 CA PHE A 20 0.344 5.993 3.596 1.00 1.00 C ATOM 275 C PHE A 20 -0.776 6.171 4.582 1.00 1.00 C ATOM 276 O PHE A 20 -0.719 5.616 5.669 1.00 1.00 O ATOM 277 CB PHE A 20 -0.096 5.222 2.352 1.00 1.00 C ATOM 278 CG PHE A 20 -0.394 3.760 2.576 1.00 1.00 C ATOM 279 CD1 PHE A 20 -1.573 3.330 3.169 1.00 1.00 C ATOM 280 CD2 PHE A 20 0.490 2.804 2.116 1.00 1.00 C ATOM 281 CE1 PHE A 20 -1.845 1.986 3.309 1.00 1.00 C ATOM 282 CE2 PHE A 20 0.215 1.456 2.253 1.00 1.00 C ATOM 283 CZ PHE A 20 -0.945 1.052 2.860 1.00 1.00 C ATOM 0 H PHE A 20 1.251 4.796 5.054 1.00 1.00 H new ATOM 0 HA PHE A 20 0.645 6.982 3.251 1.00 1.00 H new ATOM 0 HB2 PHE A 20 -0.987 5.700 1.944 1.00 1.00 H new ATOM 0 HB3 PHE A 20 0.685 5.306 1.597 1.00 1.00 H new ATOM 0 HD1 PHE A 20 -2.287 4.058 3.525 1.00 1.00 H new ATOM 0 HD2 PHE A 20 1.410 3.114 1.642 1.00 1.00 H new ATOM 0 HE1 PHE A 20 -2.767 1.668 3.772 1.00 1.00 H new ATOM 0 HE2 PHE A 20 0.914 0.722 1.882 1.00 1.00 H new ATOM 0 HZ PHE A 20 -1.151 -0.001 2.985 1.00 1.00 H new ATOM 293 N VAL A 21 -1.797 6.932 4.194 1.00 1.00 N ATOM 294 CA VAL A 21 -2.966 7.141 5.033 1.00 1.00 C ATOM 295 C VAL A 21 -4.210 6.653 4.314 1.00 1.00 C ATOM 296 O VAL A 21 -4.213 6.496 3.097 1.00 1.00 O ATOM 297 CB VAL A 21 -3.130 8.621 5.457 1.00 1.00 C ATOM 298 CG1 VAL A 21 -2.000 9.018 6.396 1.00 1.00 C ATOM 299 CG2 VAL A 21 -3.192 9.530 4.252 1.00 1.00 C ATOM 0 H VAL A 21 -1.834 7.416 3.297 1.00 1.00 H new ATOM 0 HA VAL A 21 -2.823 6.564 5.947 1.00 1.00 H new ATOM 0 HB VAL A 21 -4.075 8.730 5.989 1.00 1.00 H new ATOM 0 HG11 VAL A 21 -2.121 10.060 6.691 1.00 1.00 H new ATOM 0 HG12 VAL A 21 -2.025 8.385 7.283 1.00 1.00 H new ATOM 0 HG13 VAL A 21 -1.044 8.893 5.888 1.00 1.00 H new ATOM 0 HG21 VAL A 21 -3.307 10.563 4.581 1.00 1.00 H new ATOM 0 HG22 VAL A 21 -2.272 9.433 3.676 1.00 1.00 H new ATOM 0 HG23 VAL A 21 -4.042 9.251 3.629 1.00 1.00 H new ATOM 309 N GLU A 22 -5.264 6.414 5.082 1.00 1.00 N ATOM 310 CA GLU A 22 -6.548 6.011 4.565 1.00 1.00 C ATOM 311 C GLU A 22 -6.901 6.908 3.385 1.00 1.00 C ATOM 312 O GLU A 22 -6.740 8.133 3.435 1.00 1.00 O ATOM 313 CB GLU A 22 -7.616 6.162 5.667 1.00 1.00 C ATOM 314 CG GLU A 22 -8.949 5.503 5.283 1.00 1.00 C ATOM 315 CD GLU A 22 -10.082 5.739 6.270 1.00 1.00 C ATOM 316 OE1 GLU A 22 -9.812 6.302 7.343 1.00 1.00 O ATOM 317 OE2 GLU A 22 -11.238 5.354 5.973 1.00 1.00 O ATOM 0 H GLU A 22 -5.242 6.498 6.098 1.00 1.00 H new ATOM 0 HA GLU A 22 -6.512 4.970 4.243 1.00 1.00 H new ATOM 0 HB2 GLU A 22 -7.247 5.717 6.591 1.00 1.00 H new ATOM 0 HB3 GLU A 22 -7.781 7.221 5.867 1.00 1.00 H new ATOM 0 HG2 GLU A 22 -9.254 5.875 4.305 1.00 1.00 H new ATOM 0 HG3 GLU A 22 -8.792 4.429 5.181 1.00 1.00 H new ATOM 324 N ASN A 23 -7.415 6.289 2.335 1.00 1.00 N ATOM 325 CA ASN A 23 -7.824 6.942 1.102 1.00 1.00 C ATOM 326 C ASN A 23 -6.736 7.274 0.116 1.00 1.00 C ATOM 327 O ASN A 23 -7.043 7.592 -1.017 1.00 1.00 O ATOM 328 CB ASN A 23 -8.748 8.109 1.336 1.00 1.00 C ATOM 329 CG ASN A 23 -10.058 7.659 1.909 1.00 1.00 C ATOM 330 OD1 ASN A 23 -10.581 6.595 1.542 1.00 1.00 O ATOM 331 ND2 ASN A 23 -10.577 8.430 2.856 1.00 1.00 N ATOM 0 H ASN A 23 -7.564 5.280 2.317 1.00 1.00 H new ATOM 0 HA ASN A 23 -8.387 6.155 0.600 1.00 1.00 H new ATOM 0 HB2 ASN A 23 -8.276 8.819 2.015 1.00 1.00 H new ATOM 0 HB3 ASN A 23 -8.920 8.633 0.396 1.00 1.00 H new ATOM 0 HD21 ASN A 23 -11.444 8.157 3.318 1.00 1.00 H new ATOM 0 HD22 ASN A 23 -10.108 9.296 3.122 1.00 1.00 H new ATOM 338 N ASP A 24 -5.479 7.124 0.493 1.00 1.00 N ATOM 339 CA ASP A 24 -4.419 7.245 -0.499 1.00 1.00 C ATOM 340 C ASP A 24 -4.521 6.088 -1.481 1.00 1.00 C ATOM 341 O ASP A 24 -4.906 4.987 -1.112 1.00 1.00 O ATOM 342 CB ASP A 24 -3.037 7.176 0.153 1.00 1.00 C ATOM 343 CG ASP A 24 -2.644 8.405 0.894 1.00 1.00 C ATOM 344 OD1 ASP A 24 -3.306 9.463 0.750 1.00 1.00 O ATOM 345 OD2 ASP A 24 -1.619 8.338 1.634 1.00 1.00 O ATOM 0 H ASP A 24 -5.170 6.925 1.445 1.00 1.00 H new ATOM 0 HA ASP A 24 -4.537 8.207 -0.998 1.00 1.00 H new ATOM 0 HB2 ASP A 24 -3.015 6.330 0.840 1.00 1.00 H new ATOM 0 HB3 ASP A 24 -2.294 6.979 -0.620 1.00 1.00 H new ATOM 350 N LYS A 25 -4.155 6.328 -2.726 1.00 1.00 N ATOM 351 CA LYS A 25 -4.118 5.297 -3.743 1.00 1.00 C ATOM 352 C LYS A 25 -2.711 4.721 -3.910 1.00 1.00 C ATOM 353 O LYS A 25 -1.717 5.439 -3.815 1.00 1.00 O ATOM 354 CB LYS A 25 -4.609 5.850 -5.070 1.00 1.00 C ATOM 355 CG LYS A 25 -6.089 6.168 -5.058 1.00 1.00 C ATOM 356 CD LYS A 25 -6.506 6.702 -6.436 1.00 1.00 C ATOM 357 CE LYS A 25 -8.005 6.981 -6.518 1.00 1.00 C ATOM 358 NZ LYS A 25 -8.384 7.543 -7.867 1.00 1.00 N ATOM 0 H LYS A 25 -3.874 7.249 -3.061 1.00 1.00 H new ATOM 0 HA LYS A 25 -4.777 4.491 -3.419 1.00 1.00 H new ATOM 0 HB2 LYS A 25 -4.049 6.753 -5.312 1.00 1.00 H new ATOM 0 HB3 LYS A 25 -4.403 5.127 -5.859 1.00 1.00 H new ATOM 0 HG2 LYS A 25 -6.663 5.274 -4.813 1.00 1.00 H new ATOM 0 HG3 LYS A 25 -6.307 6.908 -4.288 1.00 1.00 H new ATOM 0 HD2 LYS A 25 -5.956 7.618 -6.650 1.00 1.00 H new ATOM 0 HD3 LYS A 25 -6.231 5.978 -7.203 1.00 1.00 H new ATOM 0 HE2 LYS A 25 -8.559 6.060 -6.336 1.00 1.00 H new ATOM 0 HE3 LYS A 25 -8.290 7.684 -5.735 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 -9.408 7.723 -7.893 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 -7.872 8.434 -8.028 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 -8.133 6.860 -8.610 1.00 1.00 H new ATOM 372 N ILE A 26 -2.647 3.412 -4.082 1.00 1.00 N ATOM 373 CA ILE A 26 -1.401 2.690 -4.299 1.00 1.00 C ATOM 374 C ILE A 26 -1.566 2.086 -5.686 1.00 1.00 C ATOM 375 O ILE A 26 -2.536 1.373 -5.948 1.00 1.00 O ATOM 376 CB ILE A 26 -1.195 1.589 -3.255 1.00 1.00 C ATOM 377 CG1 ILE A 26 -1.015 2.168 -1.871 1.00 1.00 C ATOM 378 CG2 ILE A 26 0.062 0.804 -3.626 1.00 1.00 C ATOM 379 CD1 ILE A 26 -2.269 2.481 -1.057 1.00 1.00 C ATOM 0 H ILE A 26 -3.470 2.810 -4.075 1.00 1.00 H new ATOM 0 HA ILE A 26 -0.531 3.341 -4.214 1.00 1.00 H new ATOM 0 HB ILE A 26 -2.076 0.947 -3.245 1.00 1.00 H new ATOM 0 HG12 ILE A 26 -0.407 1.471 -1.294 1.00 1.00 H new ATOM 0 HG13 ILE A 26 -0.440 3.089 -1.966 1.00 1.00 H new ATOM 0 HG21 ILE A 26 0.227 0.014 -2.894 1.00 1.00 H new ATOM 0 HG22 ILE A 26 -0.063 0.362 -4.615 1.00 1.00 H new ATOM 0 HG23 ILE A 26 0.921 1.475 -3.635 1.00 1.00 H new ATOM 0 HD11 ILE A 26 -1.981 2.890 -0.088 1.00 1.00 H new ATOM 0 HD12 ILE A 26 -2.878 3.210 -1.592 1.00 1.00 H new ATOM 0 HD13 ILE A 26 -2.844 1.567 -0.909 1.00 1.00 H new ATOM 391 N ILE A 27 -0.628 2.364 -6.573 1.00 1.00 N ATOM 392 CA ILE A 27 -0.735 1.999 -7.975 1.00 1.00 C ATOM 393 C ILE A 27 0.331 0.992 -8.386 1.00 1.00 C ATOM 394 O ILE A 27 1.315 0.756 -7.668 1.00 1.00 O ATOM 395 CB ILE A 27 -0.692 3.260 -8.883 1.00 1.00 C ATOM 396 CG1 ILE A 27 0.706 3.853 -8.952 1.00 1.00 C ATOM 397 CG2 ILE A 27 -1.699 4.302 -8.402 1.00 1.00 C ATOM 398 CD1 ILE A 27 0.812 4.959 -10.012 1.00 1.00 C ATOM 0 H ILE A 27 0.236 2.853 -6.340 1.00 1.00 H new ATOM 0 HA ILE A 27 -1.702 1.515 -8.109 1.00 1.00 H new ATOM 0 HB ILE A 27 -0.967 2.951 -9.892 1.00 1.00 H new ATOM 0 HG12 ILE A 27 0.976 4.259 -7.977 1.00 1.00 H new ATOM 0 HG13 ILE A 27 1.423 3.064 -9.179 1.00 1.00 H new ATOM 0 HG21 ILE A 27 -1.654 5.177 -9.050 1.00 1.00 H new ATOM 0 HG22 ILE A 27 -2.703 3.879 -8.433 1.00 1.00 H new ATOM 0 HG23 ILE A 27 -1.460 4.595 -7.380 1.00 1.00 H new ATOM 0 HD11 ILE A 27 1.828 5.354 -10.026 1.00 1.00 H new ATOM 0 HD12 ILE A 27 0.569 4.548 -10.992 1.00 1.00 H new ATOM 0 HD13 ILE A 27 0.115 5.761 -9.772 1.00 1.00 H new ATOM 410 N ASN A 28 0.141 0.386 -9.546 1.00 1.00 N ATOM 411 CA ASN A 28 1.085 -0.590 -10.098 1.00 1.00 C ATOM 412 C ASN A 28 1.420 -1.661 -9.080 1.00 1.00 C ATOM 413 O ASN A 28 2.584 -2.002 -8.848 1.00 1.00 O ATOM 414 CB ASN A 28 2.351 0.072 -10.609 1.00 1.00 C ATOM 415 CG ASN A 28 2.067 1.079 -11.728 1.00 1.00 C ATOM 416 OD1 ASN A 28 1.192 0.852 -12.559 1.00 1.00 O ATOM 417 ND2 ASN A 28 2.693 2.253 -11.654 1.00 1.00 N ATOM 0 H ASN A 28 -0.672 0.553 -10.138 1.00 1.00 H new ATOM 0 HA ASN A 28 0.593 -1.062 -10.948 1.00 1.00 H new ATOM 0 HB2 ASN A 28 2.852 0.579 -9.784 1.00 1.00 H new ATOM 0 HB3 ASN A 28 3.036 -0.692 -10.976 1.00 1.00 H new ATOM 0 HD21 ASN A 28 2.450 3.002 -12.302 1.00 1.00 H new ATOM 0 HD22 ASN A 28 3.415 2.403 -10.949 1.00 1.00 H new ATOM 424 N ILE A 29 0.385 -2.244 -8.508 1.00 1.00 N ATOM 425 CA ILE A 29 0.586 -3.277 -7.516 1.00 1.00 C ATOM 426 C ILE A 29 1.077 -4.562 -8.165 1.00 1.00 C ATOM 427 O ILE A 29 0.518 -5.038 -9.149 1.00 1.00 O ATOM 428 CB ILE A 29 -0.704 -3.506 -6.738 1.00 1.00 C ATOM 429 CG1 ILE A 29 -1.044 -2.213 -6.006 1.00 1.00 C ATOM 430 CG2 ILE A 29 -0.592 -4.680 -5.758 1.00 1.00 C ATOM 431 CD1 ILE A 29 -2.409 -2.155 -5.398 1.00 1.00 C ATOM 0 H ILE A 29 -0.590 -2.023 -8.710 1.00 1.00 H new ATOM 0 HA ILE A 29 1.356 -2.951 -6.817 1.00 1.00 H new ATOM 0 HB ILE A 29 -1.500 -3.772 -7.434 1.00 1.00 H new ATOM 0 HG12 ILE A 29 -0.308 -2.058 -5.217 1.00 1.00 H new ATOM 0 HG13 ILE A 29 -0.941 -1.383 -6.705 1.00 1.00 H new ATOM 0 HG21 ILE A 29 -1.536 -4.803 -5.228 1.00 1.00 H new ATOM 0 HG22 ILE A 29 -0.363 -5.593 -6.308 1.00 1.00 H new ATOM 0 HG23 ILE A 29 0.204 -4.480 -5.040 1.00 1.00 H new ATOM 0 HD11 ILE A 29 -2.546 -1.194 -4.903 1.00 1.00 H new ATOM 0 HD12 ILE A 29 -3.160 -2.272 -6.179 1.00 1.00 H new ATOM 0 HD13 ILE A 29 -2.517 -2.957 -4.668 1.00 1.00 H new ATOM 443 N GLU A 30 2.149 -5.090 -7.591 1.00 1.00 N ATOM 444 CA GLU A 30 2.781 -6.310 -8.036 1.00 1.00 C ATOM 445 C GLU A 30 2.556 -7.349 -6.956 1.00 1.00 C ATOM 446 O GLU A 30 2.733 -7.079 -5.766 1.00 1.00 O ATOM 447 CB GLU A 30 4.266 -6.052 -8.342 1.00 1.00 C ATOM 448 CG GLU A 30 4.365 -5.116 -9.553 1.00 1.00 C ATOM 449 CD GLU A 30 5.761 -4.656 -9.980 1.00 1.00 C ATOM 450 OE1 GLU A 30 6.725 -5.103 -9.339 1.00 1.00 O ATOM 451 OE2 GLU A 30 5.910 -3.774 -10.853 1.00 1.00 O ATOM 0 H GLU A 30 2.609 -4.667 -6.785 1.00 1.00 H new ATOM 0 HA GLU A 30 2.351 -6.680 -8.967 1.00 1.00 H new ATOM 0 HB2 GLU A 30 4.757 -5.605 -7.478 1.00 1.00 H new ATOM 0 HB3 GLU A 30 4.778 -6.992 -8.548 1.00 1.00 H new ATOM 0 HG2 GLU A 30 3.901 -5.616 -10.403 1.00 1.00 H new ATOM 0 HG3 GLU A 30 3.769 -4.228 -9.341 1.00 1.00 H new ATOM 458 N PHE A 31 2.124 -8.535 -7.373 1.00 1.00 N ATOM 459 CA PHE A 31 1.784 -9.611 -6.455 1.00 1.00 C ATOM 460 C PHE A 31 3.062 -10.284 -5.978 1.00 1.00 C ATOM 461 O PHE A 31 3.316 -11.452 -6.256 1.00 1.00 O ATOM 462 CB PHE A 31 0.836 -10.589 -7.152 1.00 1.00 C ATOM 463 CG PHE A 31 -0.514 -9.981 -7.456 1.00 1.00 C ATOM 464 CD1 PHE A 31 -0.712 -9.284 -8.615 1.00 1.00 C ATOM 465 CD2 PHE A 31 -1.559 -10.076 -6.562 1.00 1.00 C ATOM 466 CE1 PHE A 31 -1.956 -8.706 -8.909 1.00 1.00 C ATOM 467 CE2 PHE A 31 -2.780 -9.510 -6.852 1.00 1.00 C ATOM 468 CZ PHE A 31 -2.974 -8.822 -8.011 1.00 1.00 C ATOM 0 H PHE A 31 2.001 -8.775 -8.357 1.00 1.00 H new ATOM 0 HA PHE A 31 1.268 -9.223 -5.577 1.00 1.00 H new ATOM 0 HB2 PHE A 31 1.293 -10.931 -8.081 1.00 1.00 H new ATOM 0 HB3 PHE A 31 0.700 -11.468 -6.521 1.00 1.00 H new ATOM 0 HD1 PHE A 31 0.103 -9.176 -9.316 1.00 1.00 H new ATOM 0 HD2 PHE A 31 -1.419 -10.598 -5.627 1.00 1.00 H new ATOM 0 HE1 PHE A 31 -2.105 -8.175 -9.837 1.00 1.00 H new ATOM 0 HE2 PHE A 31 -3.595 -9.613 -6.151 1.00 1.00 H new ATOM 0 HZ PHE A 31 -3.933 -8.369 -8.218 1.00 1.00 H new ATOM 478 N VAL A 32 3.835 -9.566 -5.181 1.00 1.00 N ATOM 479 CA VAL A 32 5.091 -10.105 -4.663 1.00 1.00 C ATOM 480 C VAL A 32 4.915 -11.274 -3.717 1.00 1.00 C ATOM 481 O VAL A 32 5.611 -12.260 -3.861 1.00 1.00 O ATOM 482 CB VAL A 32 5.946 -9.018 -3.960 1.00 1.00 C ATOM 483 CG1 VAL A 32 7.178 -9.636 -3.317 1.00 1.00 C ATOM 484 CG2 VAL A 32 6.334 -7.912 -4.922 1.00 1.00 C ATOM 0 H VAL A 32 3.622 -8.616 -4.878 1.00 1.00 H new ATOM 0 HA VAL A 32 5.611 -10.469 -5.549 1.00 1.00 H new ATOM 0 HB VAL A 32 5.337 -8.571 -3.174 1.00 1.00 H new ATOM 0 HG11 VAL A 32 7.764 -8.857 -2.830 1.00 1.00 H new ATOM 0 HG12 VAL A 32 6.870 -10.375 -2.577 1.00 1.00 H new ATOM 0 HG13 VAL A 32 7.784 -10.120 -4.083 1.00 1.00 H new ATOM 0 HG21 VAL A 32 6.932 -7.167 -4.398 1.00 1.00 H new ATOM 0 HG22 VAL A 32 6.915 -8.331 -5.743 1.00 1.00 H new ATOM 0 HG23 VAL A 32 5.434 -7.442 -5.318 1.00 1.00 H new ATOM 494 N ASP A 33 3.976 -11.181 -2.787 1.00 1.00 N ATOM 495 CA ASP A 33 3.692 -12.237 -1.826 1.00 1.00 C ATOM 496 C ASP A 33 2.180 -12.246 -1.615 1.00 1.00 C ATOM 497 O ASP A 33 1.514 -11.278 -1.949 1.00 1.00 O ATOM 498 CB ASP A 33 4.459 -11.943 -0.533 1.00 1.00 C ATOM 499 CG ASP A 33 4.121 -12.892 0.575 1.00 1.00 C ATOM 500 OD1 ASP A 33 4.468 -14.092 0.446 1.00 1.00 O ATOM 501 OD2 ASP A 33 3.516 -12.498 1.611 1.00 1.00 O ATOM 0 H ASP A 33 3.382 -10.359 -2.677 1.00 1.00 H new ATOM 0 HA ASP A 33 4.010 -13.220 -2.173 1.00 1.00 H new ATOM 0 HB2 ASP A 33 5.529 -11.992 -0.733 1.00 1.00 H new ATOM 0 HB3 ASP A 33 4.241 -10.925 -0.211 1.00 1.00 H new ATOM 506 N ASP A 34 1.633 -13.343 -1.067 1.00 1.00 N ATOM 507 CA ASP A 34 0.199 -13.457 -0.827 1.00 1.00 C ATOM 508 C ASP A 34 -0.283 -12.430 0.188 1.00 1.00 C ATOM 509 O ASP A 34 -1.402 -11.943 0.107 1.00 1.00 O ATOM 510 CB ASP A 34 -0.164 -14.835 -0.245 1.00 1.00 C ATOM 511 CG ASP A 34 -0.362 -15.891 -1.287 1.00 1.00 C ATOM 512 OD1 ASP A 34 -0.614 -15.576 -2.461 1.00 1.00 O ATOM 513 OD2 ASP A 34 -0.314 -17.099 -0.987 1.00 1.00 O ATOM 0 H ASP A 34 2.171 -14.162 -0.784 1.00 1.00 H new ATOM 0 HA ASP A 34 -0.275 -13.300 -1.796 1.00 1.00 H new ATOM 0 HB2 ASP A 34 0.626 -15.152 0.436 1.00 1.00 H new ATOM 0 HB3 ASP A 34 -1.076 -14.742 0.345 1.00 1.00 H new ATOM 518 N ASP A 35 0.557 -12.124 1.170 1.00 1.00 N ATOM 519 CA ASP A 35 0.208 -11.211 2.258 1.00 1.00 C ATOM 520 C ASP A 35 0.631 -9.768 2.047 1.00 1.00 C ATOM 521 O ASP A 35 -0.096 -8.838 2.416 1.00 1.00 O ATOM 522 CB ASP A 35 0.826 -11.736 3.565 1.00 1.00 C ATOM 523 CG ASP A 35 0.502 -13.185 3.786 1.00 1.00 C ATOM 524 OD1 ASP A 35 -0.689 -13.455 4.040 1.00 1.00 O ATOM 525 OD2 ASP A 35 1.334 -14.117 3.677 1.00 1.00 O ATOM 0 H ASP A 35 1.502 -12.502 1.237 1.00 1.00 H new ATOM 0 HA ASP A 35 -0.881 -11.193 2.297 1.00 1.00 H new ATOM 0 HB2 ASP A 35 1.908 -11.605 3.535 1.00 1.00 H new ATOM 0 HB3 ASP A 35 0.457 -11.148 4.405 1.00 1.00 H new ATOM 530 N TRP A 36 1.820 -9.587 1.504 1.00 1.00 N ATOM 531 CA TRP A 36 2.372 -8.271 1.278 1.00 1.00 C ATOM 532 C TRP A 36 2.528 -8.087 -0.216 1.00 1.00 C ATOM 533 O TRP A 36 2.945 -9.020 -0.907 1.00 1.00 O ATOM 534 CB TRP A 36 3.733 -8.152 1.947 1.00 1.00 C ATOM 535 CG TRP A 36 3.654 -8.112 3.432 1.00 1.00 C ATOM 536 CD1 TRP A 36 3.429 -9.156 4.276 1.00 1.00 C ATOM 537 CD2 TRP A 36 3.745 -6.946 4.246 1.00 1.00 C ATOM 538 NE1 TRP A 36 3.396 -8.709 5.573 1.00 1.00 N ATOM 539 CE2 TRP A 36 3.601 -7.352 5.588 1.00 1.00 C ATOM 540 CE3 TRP A 36 3.996 -5.605 3.985 1.00 1.00 C ATOM 541 CZ2 TRP A 36 3.666 -6.446 6.657 1.00 1.00 C ATOM 542 CZ3 TRP A 36 4.077 -4.726 5.046 1.00 1.00 C ATOM 543 CH2 TRP A 36 3.917 -5.147 6.356 1.00 1.00 C ATOM 0 H TRP A 36 2.428 -10.351 1.208 1.00 1.00 H new ATOM 0 HA TRP A 36 1.713 -7.510 1.696 1.00 1.00 H new ATOM 0 HB2 TRP A 36 4.354 -8.995 1.645 1.00 1.00 H new ATOM 0 HB3 TRP A 36 4.228 -7.248 1.591 1.00 1.00 H new ATOM 0 HD1 TRP A 36 3.296 -10.183 3.970 1.00 1.00 H new ATOM 0 HE1 TRP A 36 3.243 -9.293 6.395 1.00 1.00 H new ATOM 0 HE3 TRP A 36 4.125 -5.257 2.971 1.00 1.00 H new ATOM 0 HZ2 TRP A 36 3.522 -6.769 7.677 1.00 1.00 H new ATOM 0 HZ3 TRP A 36 4.270 -3.682 4.850 1.00 1.00 H new ATOM 0 HH2 TRP A 36 3.994 -4.425 7.156 1.00 1.00 H new ATOM 554 N TRP A 37 2.202 -6.892 -0.705 1.00 1.00 N ATOM 555 CA TRP A 37 2.305 -6.559 -2.099 1.00 1.00 C ATOM 556 C TRP A 37 3.206 -5.352 -2.230 1.00 1.00 C ATOM 557 O TRP A 37 3.335 -4.552 -1.315 1.00 1.00 O ATOM 558 CB TRP A 37 0.954 -6.266 -2.728 1.00 1.00 C ATOM 559 CG TRP A 37 0.119 -7.496 -2.986 1.00 1.00 C ATOM 560 CD1 TRP A 37 0.577 -8.741 -3.292 1.00 1.00 C ATOM 561 CD2 TRP A 37 -1.313 -7.591 -2.978 1.00 1.00 C ATOM 562 NE1 TRP A 37 -0.477 -9.605 -3.484 1.00 1.00 N ATOM 563 CE2 TRP A 37 -1.647 -8.929 -3.291 1.00 1.00 C ATOM 564 CE3 TRP A 37 -2.340 -6.695 -2.730 1.00 1.00 C ATOM 565 CZ2 TRP A 37 -2.953 -9.371 -3.374 1.00 1.00 C ATOM 566 CZ3 TRP A 37 -3.652 -7.150 -2.832 1.00 1.00 C ATOM 567 CH2 TRP A 37 -3.936 -8.472 -3.137 1.00 1.00 C ATOM 0 H TRP A 37 1.856 -6.127 -0.125 1.00 1.00 H new ATOM 0 HA TRP A 37 2.718 -7.417 -2.629 1.00 1.00 H new ATOM 0 HB2 TRP A 37 0.399 -5.593 -2.075 1.00 1.00 H new ATOM 0 HB3 TRP A 37 1.109 -5.740 -3.670 1.00 1.00 H new ATOM 0 HD1 TRP A 37 1.619 -9.012 -3.373 1.00 1.00 H new ATOM 0 HE1 TRP A 37 -0.397 -10.591 -3.731 1.00 1.00 H new ATOM 0 HE3 TRP A 37 -2.128 -5.670 -2.464 1.00 1.00 H new ATOM 0 HZ2 TRP A 37 -3.181 -10.398 -3.619 1.00 1.00 H new ATOM 0 HZ3 TRP A 37 -4.465 -6.458 -2.670 1.00 1.00 H new ATOM 0 HH2 TRP A 37 -4.966 -8.792 -3.187 1.00 1.00 H new ATOM 578 N LEU A 38 3.840 -5.244 -3.380 1.00 1.00 N ATOM 579 CA LEU A 38 4.713 -4.142 -3.692 1.00 1.00 C ATOM 580 C LEU A 38 3.936 -3.136 -4.552 1.00 1.00 C ATOM 581 O LEU A 38 3.320 -3.533 -5.543 1.00 1.00 O ATOM 582 CB LEU A 38 5.884 -4.647 -4.487 1.00 1.00 C ATOM 583 CG LEU A 38 7.011 -3.770 -5.053 1.00 1.00 C ATOM 584 CD1 LEU A 38 7.697 -2.979 -3.951 1.00 1.00 C ATOM 585 CD2 LEU A 38 8.034 -4.547 -5.832 1.00 1.00 C ATOM 0 H LEU A 38 3.759 -5.930 -4.130 1.00 1.00 H new ATOM 0 HA LEU A 38 5.064 -3.673 -2.773 1.00 1.00 H new ATOM 0 HB2 LEU A 38 6.372 -5.393 -3.859 1.00 1.00 H new ATOM 0 HB3 LEU A 38 5.460 -5.176 -5.340 1.00 1.00 H new ATOM 0 HG LEU A 38 6.529 -3.083 -5.749 1.00 1.00 H new ATOM 0 HD11 LEU A 38 8.490 -2.368 -4.382 1.00 1.00 H new ATOM 0 HD12 LEU A 38 6.969 -2.335 -3.458 1.00 1.00 H new ATOM 0 HD13 LEU A 38 8.125 -3.667 -3.222 1.00 1.00 H new ATOM 0 HD21 LEU A 38 8.801 -3.868 -6.204 1.00 1.00 H new ATOM 0 HD22 LEU A 38 8.493 -5.294 -5.185 1.00 1.00 H new ATOM 0 HD23 LEU A 38 7.551 -5.043 -6.673 1.00 1.00 H new ATOM 597 N GLY A 39 3.987 -1.863 -4.206 1.00 1.00 N ATOM 598 CA GLY A 39 3.304 -0.877 -5.009 1.00 1.00 C ATOM 599 C GLY A 39 4.015 0.456 -4.982 1.00 1.00 C ATOM 600 O GLY A 39 5.140 0.567 -4.487 1.00 1.00 O ATOM 0 H GLY A 39 4.483 -1.497 -3.393 1.00 1.00 H new ATOM 0 HA2 GLY A 39 3.233 -1.231 -6.038 1.00 1.00 H new ATOM 0 HA3 GLY A 39 2.285 -0.753 -4.644 1.00 1.00 H new ATOM 604 N GLU A 40 3.328 1.455 -5.499 1.00 1.00 N ATOM 605 CA GLU A 40 3.822 2.814 -5.586 1.00 1.00 C ATOM 606 C GLU A 40 2.704 3.779 -5.224 1.00 1.00 C ATOM 607 O GLU A 40 1.559 3.591 -5.624 1.00 1.00 O ATOM 608 CB GLU A 40 4.290 3.078 -7.006 1.00 1.00 C ATOM 609 CG GLU A 40 4.860 4.467 -7.233 1.00 1.00 C ATOM 610 CD GLU A 40 5.266 4.747 -8.670 1.00 1.00 C ATOM 611 OE1 GLU A 40 4.855 3.965 -9.557 1.00 1.00 O ATOM 612 OE2 GLU A 40 6.049 5.712 -8.890 1.00 1.00 O ATOM 0 H GLU A 40 2.388 1.341 -5.879 1.00 1.00 H new ATOM 0 HA GLU A 40 4.654 2.954 -4.896 1.00 1.00 H new ATOM 0 HB2 GLU A 40 5.049 2.340 -7.268 1.00 1.00 H new ATOM 0 HB3 GLU A 40 3.451 2.928 -7.685 1.00 1.00 H new ATOM 0 HG2 GLU A 40 4.120 5.206 -6.926 1.00 1.00 H new ATOM 0 HG3 GLU A 40 5.729 4.600 -6.589 1.00 1.00 H new ATOM 619 N LEU A 41 3.032 4.829 -4.465 1.00 1.00 N ATOM 620 CA LEU A 41 2.002 5.786 -4.093 1.00 1.00 C ATOM 621 C LEU A 41 1.636 6.707 -5.234 1.00 1.00 C ATOM 622 O LEU A 41 2.507 7.331 -5.845 1.00 1.00 O ATOM 623 CB LEU A 41 2.415 6.638 -2.913 1.00 1.00 C ATOM 624 CG LEU A 41 2.672 5.913 -1.601 1.00 1.00 C ATOM 625 CD1 LEU A 41 2.912 6.915 -0.470 1.00 1.00 C ATOM 626 CD2 LEU A 41 1.583 4.962 -1.246 1.00 1.00 C ATOM 0 H LEU A 41 3.967 5.029 -4.110 1.00 1.00 H new ATOM 0 HA LEU A 41 1.135 5.183 -3.822 1.00 1.00 H new ATOM 0 HB2 LEU A 41 3.321 7.179 -3.185 1.00 1.00 H new ATOM 0 HB3 LEU A 41 1.638 7.383 -2.743 1.00 1.00 H new ATOM 0 HG LEU A 41 3.573 5.316 -1.740 1.00 1.00 H new ATOM 0 HD11 LEU A 41 3.094 6.377 0.460 1.00 1.00 H new ATOM 0 HD12 LEU A 41 3.779 7.532 -0.708 1.00 1.00 H new ATOM 0 HD13 LEU A 41 2.035 7.551 -0.355 1.00 1.00 H new ATOM 0 HD21 LEU A 41 1.820 4.474 -0.301 1.00 1.00 H new ATOM 0 HD22 LEU A 41 0.643 5.505 -1.148 1.00 1.00 H new ATOM 0 HD23 LEU A 41 1.487 4.210 -2.029 1.00 1.00 H new ATOM 638 N GLU A 42 0.342 6.869 -5.471 1.00 1.00 N ATOM 639 CA GLU A 42 -0.100 7.854 -6.433 1.00 1.00 C ATOM 640 C GLU A 42 0.407 9.248 -6.047 1.00 1.00 C ATOM 641 O GLU A 42 0.757 10.065 -6.909 1.00 1.00 O ATOM 642 CB GLU A 42 -1.640 7.877 -6.458 1.00 1.00 C ATOM 643 CG GLU A 42 -2.206 8.943 -7.375 1.00 1.00 C ATOM 644 CD GLU A 42 -3.658 9.365 -7.091 1.00 1.00 C ATOM 645 OE1 GLU A 42 -4.181 9.145 -5.981 1.00 1.00 O ATOM 646 OE2 GLU A 42 -4.301 9.896 -8.031 1.00 1.00 O ATOM 0 H GLU A 42 -0.403 6.340 -5.018 1.00 1.00 H new ATOM 0 HA GLU A 42 0.295 7.589 -7.414 1.00 1.00 H new ATOM 0 HB2 GLU A 42 -2.006 6.901 -6.776 1.00 1.00 H new ATOM 0 HB3 GLU A 42 -2.011 8.042 -5.447 1.00 1.00 H new ATOM 0 HG2 GLU A 42 -1.571 9.827 -7.310 1.00 1.00 H new ATOM 0 HG3 GLU A 42 -2.146 8.582 -8.402 1.00 1.00 H new ATOM 653 N LYS A 43 0.414 9.557 -4.761 1.00 1.00 N ATOM 654 CA LYS A 43 0.648 10.954 -4.398 1.00 1.00 C ATOM 655 C LYS A 43 2.069 11.439 -4.530 1.00 1.00 C ATOM 656 O LYS A 43 2.298 12.647 -4.632 1.00 1.00 O ATOM 657 CB LYS A 43 0.110 11.248 -2.998 1.00 1.00 C ATOM 658 CG LYS A 43 0.914 10.637 -1.891 1.00 1.00 C ATOM 659 CD LYS A 43 0.159 10.748 -0.552 1.00 1.00 C ATOM 660 CE LYS A 43 0.961 10.247 0.609 1.00 1.00 C ATOM 661 NZ LYS A 43 0.177 10.409 1.857 1.00 1.00 N ATOM 0 H LYS A 43 0.270 8.907 -3.988 1.00 1.00 H new ATOM 0 HA LYS A 43 0.093 11.522 -5.145 1.00 1.00 H new ATOM 0 HB2 LYS A 43 0.075 12.328 -2.854 1.00 1.00 H new ATOM 0 HB3 LYS A 43 -0.915 10.884 -2.931 1.00 1.00 H new ATOM 0 HG2 LYS A 43 1.116 9.590 -2.116 1.00 1.00 H new ATOM 0 HG3 LYS A 43 1.879 11.139 -1.814 1.00 1.00 H new ATOM 0 HD2 LYS A 43 -0.112 11.789 -0.378 1.00 1.00 H new ATOM 0 HD3 LYS A 43 -0.771 10.183 -0.616 1.00 1.00 H new ATOM 0 HE2 LYS A 43 1.218 9.198 0.462 1.00 1.00 H new ATOM 0 HE3 LYS A 43 1.899 10.798 0.682 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 0.733 10.061 2.664 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 -0.047 11.415 1.998 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 -0.706 9.865 1.785 1.00 1.00 H new ATOM 675 N ASP A 44 3.054 10.539 -4.527 1.00 1.00 N ATOM 676 CA ASP A 44 4.444 10.976 -4.534 1.00 1.00 C ATOM 677 C ASP A 44 5.415 10.098 -5.295 1.00 1.00 C ATOM 678 O ASP A 44 6.594 10.404 -5.308 1.00 1.00 O ATOM 679 CB ASP A 44 4.950 11.215 -3.100 1.00 1.00 C ATOM 680 CG ASP A 44 5.027 9.980 -2.243 1.00 1.00 C ATOM 681 OD1 ASP A 44 4.929 8.831 -2.755 1.00 1.00 O ATOM 682 OD2 ASP A 44 5.194 10.092 -1.001 1.00 1.00 O ATOM 0 H ASP A 44 2.918 9.528 -4.520 1.00 1.00 H new ATOM 0 HA ASP A 44 4.423 11.911 -5.094 1.00 1.00 H new ATOM 0 HB2 ASP A 44 5.940 11.668 -3.150 1.00 1.00 H new ATOM 0 HB3 ASP A 44 4.294 11.937 -2.614 1.00 1.00 H new ATOM 687 N GLY A 45 4.968 8.997 -5.887 1.00 1.00 N ATOM 688 CA GLY A 45 5.889 8.155 -6.632 1.00 1.00 C ATOM 689 C GLY A 45 6.772 7.258 -5.794 1.00 1.00 C ATOM 690 O GLY A 45 7.585 6.543 -6.359 1.00 1.00 O ATOM 0 H GLY A 45 4.001 8.674 -5.867 1.00 1.00 H new ATOM 0 HA2 GLY A 45 5.313 7.532 -7.316 1.00 1.00 H new ATOM 0 HA3 GLY A 45 6.526 8.795 -7.243 1.00 1.00 H new ATOM 694 N SER A 46 6.640 7.258 -4.470 1.00 1.00 N ATOM 695 CA SER A 46 7.456 6.370 -3.623 1.00 1.00 C ATOM 696 C SER A 46 6.995 4.931 -3.841 1.00 1.00 C ATOM 697 O SER A 46 5.851 4.689 -4.169 1.00 1.00 O ATOM 698 CB SER A 46 7.387 6.756 -2.148 1.00 1.00 C ATOM 699 OG SER A 46 6.100 6.703 -1.616 1.00 1.00 O ATOM 0 H SER A 46 5.987 7.852 -3.959 1.00 1.00 H new ATOM 0 HA SER A 46 8.502 6.471 -3.912 1.00 1.00 H new ATOM 0 HB2 SER A 46 8.035 6.091 -1.577 1.00 1.00 H new ATOM 0 HB3 SER A 46 7.780 7.766 -2.027 1.00 1.00 H new ATOM 0 HG SER A 46 5.579 7.466 -1.942 1.00 1.00 H new ATOM 705 N LYS A 47 7.909 3.978 -3.676 1.00 1.00 N ATOM 706 CA LYS A 47 7.610 2.578 -3.921 1.00 1.00 C ATOM 707 C LYS A 47 8.058 1.764 -2.747 1.00 1.00 C ATOM 708 O LYS A 47 9.033 2.108 -2.071 1.00 1.00 O ATOM 709 CB LYS A 47 8.337 2.071 -5.166 1.00 1.00 C ATOM 710 CG LYS A 47 7.927 2.790 -6.424 1.00 1.00 C ATOM 711 CD LYS A 47 8.445 2.133 -7.680 1.00 1.00 C ATOM 712 CE LYS A 47 8.145 3.004 -8.894 1.00 1.00 C ATOM 713 NZ LYS A 47 8.195 2.274 -10.203 1.00 1.00 N ATOM 0 H LYS A 47 8.866 4.156 -3.372 1.00 1.00 H new ATOM 0 HA LYS A 47 6.535 2.481 -4.072 1.00 1.00 H new ATOM 0 HB2 LYS A 47 9.412 2.185 -5.023 1.00 1.00 H new ATOM 0 HB3 LYS A 47 8.142 1.005 -5.284 1.00 1.00 H new ATOM 0 HG2 LYS A 47 6.839 2.838 -6.469 1.00 1.00 H new ATOM 0 HG3 LYS A 47 8.290 3.817 -6.383 1.00 1.00 H new ATOM 0 HD2 LYS A 47 9.520 1.970 -7.597 1.00 1.00 H new ATOM 0 HD3 LYS A 47 7.983 1.153 -7.803 1.00 1.00 H new ATOM 0 HE2 LYS A 47 7.155 3.445 -8.775 1.00 1.00 H new ATOM 0 HE3 LYS A 47 8.860 3.827 -8.922 1.00 1.00 H new ATOM 0 HZ1 LYS A 47 7.980 2.934 -10.977 1.00 1.00 H new ATOM 0 HZ2 LYS A 47 9.145 1.875 -10.342 1.00 1.00 H new ATOM 0 HZ3 LYS A 47 7.494 1.506 -10.199 1.00 1.00 H new ATOM 727 N GLY A 48 7.374 0.660 -2.491 1.00 1.00 N ATOM 728 CA GLY A 48 7.741 -0.192 -1.382 1.00 1.00 C ATOM 729 C GLY A 48 6.681 -1.209 -1.051 1.00 1.00 C ATOM 730 O GLY A 48 5.578 -1.199 -1.606 1.00 1.00 O ATOM 0 H GLY A 48 6.571 0.339 -3.032 1.00 1.00 H new ATOM 0 HA2 GLY A 48 8.672 -0.708 -1.619 1.00 1.00 H new ATOM 0 HA3 GLY A 48 7.933 0.425 -0.504 1.00 1.00 H new ATOM 734 N LEU A 49 7.024 -2.075 -0.116 1.00 1.00 N ATOM 735 CA LEU A 49 6.154 -3.123 0.348 1.00 1.00 C ATOM 736 C LEU A 49 5.035 -2.576 1.213 1.00 1.00 C ATOM 737 O LEU A 49 5.248 -1.708 2.075 1.00 1.00 O ATOM 738 CB LEU A 49 6.959 -4.115 1.184 1.00 1.00 C ATOM 739 CG LEU A 49 7.977 -4.960 0.444 1.00 1.00 C ATOM 740 CD1 LEU A 49 8.841 -5.679 1.442 1.00 1.00 C ATOM 741 CD2 LEU A 49 7.268 -5.954 -0.466 1.00 1.00 C ATOM 0 H LEU A 49 7.933 -2.064 0.347 1.00 1.00 H new ATOM 0 HA LEU A 49 5.720 -3.606 -0.527 1.00 1.00 H new ATOM 0 HB2 LEU A 49 7.480 -3.559 1.963 1.00 1.00 H new ATOM 0 HB3 LEU A 49 6.260 -4.785 1.684 1.00 1.00 H new ATOM 0 HG LEU A 49 8.605 -4.319 -0.175 1.00 1.00 H new ATOM 0 HD11 LEU A 49 9.575 -6.289 0.915 1.00 1.00 H new ATOM 0 HD12 LEU A 49 9.356 -4.951 2.069 1.00 1.00 H new ATOM 0 HD13 LEU A 49 8.219 -6.320 2.067 1.00 1.00 H new ATOM 0 HD21 LEU A 49 8.008 -6.556 -0.993 1.00 1.00 H new ATOM 0 HD22 LEU A 49 6.630 -6.604 0.133 1.00 1.00 H new ATOM 0 HD23 LEU A 49 6.658 -5.414 -1.190 1.00 1.00 H new ATOM 753 N PHE A 50 3.839 -3.116 1.018 1.00 1.00 N ATOM 754 CA PHE A 50 2.703 -2.705 1.808 1.00 1.00 C ATOM 755 C PHE A 50 1.900 -3.943 2.155 1.00 1.00 C ATOM 756 O PHE A 50 1.899 -4.909 1.373 1.00 1.00 O ATOM 757 CB PHE A 50 1.843 -1.680 1.067 1.00 1.00 C ATOM 758 CG PHE A 50 1.113 -2.235 -0.118 1.00 1.00 C ATOM 759 CD1 PHE A 50 -0.134 -2.822 -0.002 1.00 1.00 C ATOM 760 CD2 PHE A 50 1.646 -2.111 -1.381 1.00 1.00 C ATOM 761 CE1 PHE A 50 -0.797 -3.294 -1.119 1.00 1.00 C ATOM 762 CE2 PHE A 50 0.980 -2.578 -2.483 1.00 1.00 C ATOM 763 CZ PHE A 50 -0.240 -3.168 -2.364 1.00 1.00 C ATOM 0 H PHE A 50 3.638 -3.835 0.322 1.00 1.00 H new ATOM 0 HA PHE A 50 3.049 -2.216 2.719 1.00 1.00 H new ATOM 0 HB2 PHE A 50 1.117 -1.260 1.763 1.00 1.00 H new ATOM 0 HB3 PHE A 50 2.479 -0.859 0.736 1.00 1.00 H new ATOM 0 HD1 PHE A 50 -0.594 -2.912 0.971 1.00 1.00 H new ATOM 0 HD2 PHE A 50 2.608 -1.636 -1.505 1.00 1.00 H new ATOM 0 HE1 PHE A 50 -1.762 -3.766 -1.009 1.00 1.00 H new ATOM 0 HE2 PHE A 50 1.430 -2.476 -3.460 1.00 1.00 H new ATOM 0 HZ PHE A 50 -0.761 -3.531 -3.237 1.00 1.00 H new ATOM 773 N PRO A 51 1.234 -3.947 3.310 1.00 1.00 N ATOM 774 CA PRO A 51 0.454 -5.120 3.700 1.00 1.00 C ATOM 775 C PRO A 51 -0.868 -5.092 2.967 1.00 1.00 C ATOM 776 O PRO A 51 -1.579 -4.097 2.925 1.00 1.00 O ATOM 777 CB PRO A 51 0.284 -4.947 5.220 1.00 1.00 C ATOM 778 CG PRO A 51 0.362 -3.492 5.479 1.00 1.00 C ATOM 779 CD PRO A 51 1.206 -2.908 4.357 1.00 1.00 C ATOM 0 HA PRO A 51 0.917 -6.077 3.458 1.00 1.00 H new ATOM 0 HB2 PRO A 51 -0.672 -5.352 5.554 1.00 1.00 H new ATOM 0 HB3 PRO A 51 1.064 -5.482 5.763 1.00 1.00 H new ATOM 0 HG2 PRO A 51 -0.632 -3.045 5.492 1.00 1.00 H new ATOM 0 HG3 PRO A 51 0.814 -3.293 6.451 1.00 1.00 H new ATOM 0 HD2 PRO A 51 0.773 -1.981 3.980 1.00 1.00 H new ATOM 0 HD3 PRO A 51 2.212 -2.672 4.704 1.00 1.00 H new ATOM 787 N SER A 52 -1.202 -6.215 2.335 1.00 1.00 N ATOM 788 CA SER A 52 -2.416 -6.288 1.541 1.00 1.00 C ATOM 789 C SER A 52 -3.699 -6.032 2.326 1.00 1.00 C ATOM 790 O SER A 52 -4.643 -5.430 1.803 1.00 1.00 O ATOM 791 CB SER A 52 -2.486 -7.645 0.864 1.00 1.00 C ATOM 792 OG SER A 52 -1.304 -7.872 0.143 1.00 1.00 O ATOM 0 H SER A 52 -0.654 -7.075 2.359 1.00 1.00 H new ATOM 0 HA SER A 52 -2.355 -5.483 0.808 1.00 1.00 H new ATOM 0 HB2 SER A 52 -2.625 -8.428 1.609 1.00 1.00 H new ATOM 0 HB3 SER A 52 -3.346 -7.685 0.195 1.00 1.00 H new ATOM 0 HG SER A 52 -1.454 -7.668 -0.804 1.00 1.00 H new ATOM 798 N ASN A 53 -3.756 -6.454 3.586 1.00 1.00 N ATOM 799 CA ASN A 53 -4.963 -6.237 4.364 1.00 1.00 C ATOM 800 C ASN A 53 -5.250 -4.751 4.653 1.00 1.00 C ATOM 801 O ASN A 53 -6.295 -4.405 5.180 1.00 1.00 O ATOM 802 CB ASN A 53 -4.935 -7.083 5.674 1.00 1.00 C ATOM 803 CG ASN A 53 -5.051 -8.643 5.412 1.00 1.00 C ATOM 804 OD1 ASN A 53 -5.508 -9.052 4.366 1.00 1.00 O ATOM 805 ND2 ASN A 53 -4.620 -9.476 6.369 1.00 1.00 N ATOM 0 H ASN A 53 -3.001 -6.935 4.076 1.00 1.00 H new ATOM 0 HA ASN A 53 -5.794 -6.579 3.747 1.00 1.00 H new ATOM 0 HB2 ASN A 53 -4.009 -6.879 6.211 1.00 1.00 H new ATOM 0 HB3 ASN A 53 -5.754 -6.768 6.320 1.00 1.00 H new ATOM 0 HD21 ASN A 53 -4.671 -10.485 6.228 1.00 1.00 H new ATOM 0 HD22 ASN A 53 -4.240 -9.101 7.238 1.00 1.00 H new ATOM 812 N TYR A 54 -4.344 -3.839 4.305 1.00 1.00 N ATOM 813 CA TYR A 54 -4.592 -2.422 4.543 1.00 1.00 C ATOM 814 C TYR A 54 -5.200 -1.700 3.337 1.00 1.00 C ATOM 815 O TYR A 54 -5.418 -0.500 3.422 1.00 1.00 O ATOM 816 CB TYR A 54 -3.330 -1.678 5.006 1.00 1.00 C ATOM 817 CG TYR A 54 -3.049 -1.855 6.464 1.00 1.00 C ATOM 818 CD1 TYR A 54 -2.726 -3.085 6.970 1.00 1.00 C ATOM 819 CD2 TYR A 54 -3.092 -0.780 7.344 1.00 1.00 C ATOM 820 CE1 TYR A 54 -2.446 -3.252 8.307 1.00 1.00 C ATOM 821 CE2 TYR A 54 -2.811 -0.942 8.683 1.00 1.00 C ATOM 822 CZ TYR A 54 -2.486 -2.175 9.158 1.00 1.00 C ATOM 823 OH TYR A 54 -2.186 -2.366 10.496 1.00 1.00 O ATOM 0 H TYR A 54 -3.448 -4.052 3.866 1.00 1.00 H new ATOM 0 HA TYR A 54 -5.328 -2.402 5.347 1.00 1.00 H new ATOM 0 HB2 TYR A 54 -2.474 -2.033 4.431 1.00 1.00 H new ATOM 0 HB3 TYR A 54 -3.441 -0.616 4.789 1.00 1.00 H new ATOM 0 HD1 TYR A 54 -2.690 -3.938 6.309 1.00 1.00 H new ATOM 0 HD2 TYR A 54 -3.350 0.200 6.971 1.00 1.00 H new ATOM 0 HE1 TYR A 54 -2.195 -4.231 8.687 1.00 1.00 H new ATOM 0 HE2 TYR A 54 -2.848 -0.095 9.352 1.00 1.00 H new ATOM 0 HH TYR A 54 -2.256 -1.512 10.972 1.00 1.00 H new ATOM 833 N VAL A 55 -5.435 -2.395 2.230 1.00 1.00 N ATOM 834 CA VAL A 55 -5.975 -1.760 1.026 1.00 1.00 C ATOM 835 C VAL A 55 -7.030 -2.621 0.363 1.00 1.00 C ATOM 836 O VAL A 55 -7.130 -3.822 0.606 1.00 1.00 O ATOM 837 CB VAL A 55 -4.858 -1.445 -0.026 1.00 1.00 C ATOM 838 CG1 VAL A 55 -3.825 -0.469 0.525 1.00 1.00 C ATOM 839 CG2 VAL A 55 -4.183 -2.704 -0.485 1.00 1.00 C ATOM 0 H VAL A 55 -5.262 -3.396 2.138 1.00 1.00 H new ATOM 0 HA VAL A 55 -6.425 -0.825 1.361 1.00 1.00 H new ATOM 0 HB VAL A 55 -5.345 -0.975 -0.880 1.00 1.00 H new ATOM 0 HG11 VAL A 55 -3.067 -0.275 -0.234 1.00 1.00 H new ATOM 0 HG12 VAL A 55 -4.316 0.466 0.795 1.00 1.00 H new ATOM 0 HG13 VAL A 55 -3.353 -0.899 1.408 1.00 1.00 H new ATOM 0 HG21 VAL A 55 -3.412 -2.458 -1.215 1.00 1.00 H new ATOM 0 HG22 VAL A 55 -3.728 -3.205 0.369 1.00 1.00 H new ATOM 0 HG23 VAL A 55 -4.919 -3.365 -0.943 1.00 1.00 H new ATOM 849 N SER A 56 -7.808 -1.995 -0.504 1.00 1.00 N ATOM 850 CA SER A 56 -8.834 -2.650 -1.287 1.00 1.00 C ATOM 851 C SER A 56 -8.678 -2.223 -2.750 1.00 1.00 C ATOM 852 O SER A 56 -8.520 -1.045 -2.998 1.00 1.00 O ATOM 853 CB SER A 56 -10.191 -2.230 -0.759 1.00 1.00 C ATOM 854 OG SER A 56 -11.205 -2.770 -1.557 1.00 1.00 O ATOM 0 H SER A 56 -7.739 -0.993 -0.685 1.00 1.00 H new ATOM 0 HA SER A 56 -8.743 -3.734 -1.217 1.00 1.00 H new ATOM 0 HB2 SER A 56 -10.309 -2.567 0.271 1.00 1.00 H new ATOM 0 HB3 SER A 56 -10.265 -1.143 -0.749 1.00 1.00 H new ATOM 0 HG SER A 56 -12.078 -2.495 -1.207 1.00 1.00 H new ATOM 860 N LEU A 57 -8.668 -3.179 -3.686 1.00 1.00 N ATOM 861 CA LEU A 57 -8.455 -2.832 -5.100 1.00 1.00 C ATOM 862 C LEU A 57 -9.542 -1.886 -5.603 1.00 1.00 C ATOM 863 O LEU A 57 -10.712 -1.982 -5.227 1.00 1.00 O ATOM 864 CB LEU A 57 -8.374 -4.060 -5.992 1.00 1.00 C ATOM 865 CG LEU A 57 -7.296 -5.066 -5.625 1.00 1.00 C ATOM 866 CD1 LEU A 57 -7.183 -6.094 -6.746 1.00 1.00 C ATOM 867 CD2 LEU A 57 -5.953 -4.446 -5.397 1.00 1.00 C ATOM 0 H LEU A 57 -8.801 -4.173 -3.501 1.00 1.00 H new ATOM 0 HA LEU A 57 -7.492 -2.324 -5.153 1.00 1.00 H new ATOM 0 HB2 LEU A 57 -9.340 -4.565 -5.973 1.00 1.00 H new ATOM 0 HB3 LEU A 57 -8.206 -3.732 -7.018 1.00 1.00 H new ATOM 0 HG LEU A 57 -7.595 -5.526 -4.683 1.00 1.00 H new ATOM 0 HD11 LEU A 57 -6.412 -6.823 -6.495 1.00 1.00 H new ATOM 0 HD12 LEU A 57 -8.138 -6.604 -6.869 1.00 1.00 H new ATOM 0 HD13 LEU A 57 -6.918 -5.591 -7.676 1.00 1.00 H new ATOM 0 HD21 LEU A 57 -5.233 -5.222 -5.139 1.00 1.00 H new ATOM 0 HD22 LEU A 57 -5.628 -3.937 -6.305 1.00 1.00 H new ATOM 0 HD23 LEU A 57 -6.018 -3.726 -4.581 1.00 1.00 H new ATOM 879 N GLY A 58 -9.130 -0.937 -6.433 1.00 1.00 N ATOM 880 CA GLY A 58 -10.061 0.016 -7.032 1.00 1.00 C ATOM 881 C GLY A 58 -10.582 1.045 -6.055 1.00 1.00 C ATOM 882 O GLY A 58 -10.013 1.230 -4.960 1.00 1.00 O ATOM 0 H GLY A 58 -8.157 -0.805 -6.708 1.00 1.00 H new ATOM 0 HA2 GLY A 58 -9.564 0.528 -7.856 1.00 1.00 H new ATOM 0 HA3 GLY A 58 -10.904 -0.529 -7.457 1.00 1.00 H new ATOM 886 N ASN A 59 -11.660 1.724 -6.464 1.00 1.00 N ATOM 887 CA ASN A 59 -12.271 2.802 -5.690 1.00 1.00 C ATOM 888 C ASN A 59 -13.203 2.257 -4.620 1.00 1.00 C ATOM 889 O ASN A 59 -14.005 3.061 -4.086 1.00 1.00 O ATOM 890 CB ASN A 59 -12.994 3.807 -6.622 1.00 1.00 C ATOM 891 CG ASN A 59 -12.392 5.199 -6.564 1.00 1.00 C ATOM 892 OD1 ASN A 59 -11.873 5.643 -5.544 1.00 1.00 O ATOM 893 ND2 ASN A 59 -12.457 5.902 -7.691 1.00 1.00 N ATOM 894 OXT ASN A 59 -13.155 1.049 -4.354 1.00 1.00 O ATOM 0 H ASN A 59 -12.133 1.537 -7.348 1.00 1.00 H new ATOM 0 HA ASN A 59 -11.475 3.341 -5.176 1.00 1.00 H new ATOM 0 HB2 ASN A 59 -12.952 3.440 -7.647 1.00 1.00 H new ATOM 0 HB3 ASN A 59 -14.047 3.859 -6.345 1.00 1.00 H new ATOM 0 HD21 ASN A 59 -12.068 6.844 -7.728 1.00 1.00 H new ATOM 0 HD22 ASN A 59 -12.896 5.499 -8.519 1.00 1.00 H new