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 -90:sc= 0.419 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot -159:sc= 0.491 USER MOD Single : A 16 ASN : amide:sc=-0.00534 K(o=-0.0053,f=-1.2) USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.415 USER MOD Single : A 23 ASN : amide:sc= -0.0679 K(o=-0.068,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=-0.42) 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 -96:sc= 1.66 USER MOD Single : A 53 ASN : amide:sc= -0.282 K(o=-0.28,f=-7.6!) 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= -0.158 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 -2.853 -10.618 1.00 1.00 C ATOM 13 C PRO A 2 -3.693 -1.821 -9.618 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 -5.084 -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 -4.899 -10.244 1.00 1.00 C ATOM 0 HA PRO A 2 -4.671 -2.301 -11.416 1.00 1.00 H new ATOM 0 HB2 PRO A 2 -5.740 -3.425 -9.203 1.00 1.00 H new ATOM 0 HB3 PRO A 2 -5.724 -4.396 -10.662 1.00 1.00 H new ATOM 0 HG2 PRO A 2 -3.846 -4.476 -8.318 1.00 1.00 H new ATOM 0 HG3 PRO A 2 -4.602 -5.808 -9.169 1.00 1.00 H new ATOM 0 HD2 PRO A 2 -2.026 -4.945 -9.691 1.00 1.00 H new ATOM 0 HD3 PRO A 2 -3.011 -5.793 -10.866 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 -0.232 -7.086 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 -4.449 1.483 -8.682 1.00 1.00 C ATOM 30 CG TRP A 3 -5.744 1.904 -9.343 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 -10.898 1.00 1.00 N ATOM 34 CE2 TRP A 3 -7.824 2.770 -9.719 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 3.415 -7.145 1.00 1.00 C ATOM 38 CH2 TRP A 3 -9.333 3.653 -8.158 1.00 1.00 C ATOM 0 H TRP A 3 -5.465 -0.785 -9.765 1.00 1.00 H new ATOM 0 HA TRP A 3 -3.381 -0.105 -7.776 1.00 1.00 H new ATOM 0 HB2 TRP A 3 -4.267 2.143 -7.834 1.00 1.00 H new ATOM 0 HB3 TRP A 3 -3.636 1.643 -9.390 1.00 1.00 H new ATOM 0 HD1 TRP A 3 -5.374 1.469 -11.437 1.00 1.00 H new ATOM 0 HE1 TRP A 3 -7.742 2.421 -11.808 1.00 1.00 H new ATOM 0 HE3 TRP A 3 -6.477 2.670 -6.606 1.00 1.00 H new ATOM 0 HZ2 TRP A 3 -9.792 3.522 -10.225 1.00 1.00 H new ATOM 0 HZ3 TRP A 3 -8.663 3.687 -6.130 1.00 1.00 H new ATOM 0 HH2 TRP A 3 -10.284 4.100 -7.910 1.00 1.00 H new ATOM 49 N ALA A 4 -5.147 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 -5.292 2.340 -4.078 1.00 1.00 O ATOM 53 CB ALA A 4 -5.359 -0.971 -3.902 1.00 1.00 C ATOM 0 H ALA A 4 -4.355 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 -5.976 -1.130 -3.017 1.00 1.00 H new ATOM 0 HB2 ALA A 4 -5.311 -1.893 -4.482 1.00 1.00 H new ATOM 0 HB3 ALA A 4 -4.353 -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 -7.300 2.520 -2.123 1.00 1.00 C ATOM 61 C THR A 5 -6.801 2.106 -0.744 1.00 1.00 C ATOM 62 O THR A 5 -6.552 0.929 -0.495 1.00 1.00 O ATOM 63 CB THR A 5 -8.801 2.849 -2.040 1.00 1.00 C ATOM 64 OG1 THR A 5 -9.539 1.619 -2.008 1.00 1.00 O ATOM 65 CG2 THR A 5 -9.257 3.604 -3.268 1.00 1.00 C ATOM 0 H THR A 5 -7.722 0.646 -2.938 1.00 1.00 H new ATOM 0 HA THR A 5 -6.774 3.406 -2.479 1.00 1.00 H new ATOM 0 HB THR A 5 -8.969 3.453 -1.148 1.00 1.00 H new ATOM 0 HG1 THR A 5 -9.760 1.346 -2.923 1.00 1.00 H new ATOM 0 HG21 THR A 5 -10.321 3.825 -3.185 1.00 1.00 H new ATOM 0 HG22 THR A 5 -8.698 4.536 -3.350 1.00 1.00 H new ATOM 0 HG23 THR A 5 -9.081 2.996 -4.155 1.00 1.00 H new ATOM 73 N ALA A 6 -6.596 3.080 0.129 1.00 1.00 N ATOM 74 CA ALA A 6 -6.114 2.789 1.467 1.00 1.00 C ATOM 75 C ALA A 6 -7.276 2.624 2.424 1.00 1.00 C ATOM 76 O ALA A 6 -7.971 3.580 2.784 1.00 1.00 O ATOM 77 CB ALA A 6 -5.225 3.925 1.942 1.00 1.00 C ATOM 0 H ALA A 6 -6.754 4.069 -0.063 1.00 1.00 H new ATOM 0 HA ALA A 6 -5.545 1.860 1.442 1.00 1.00 H new ATOM 0 HB1 ALA A 6 -4.862 3.708 2.947 1.00 1.00 H new ATOM 0 HB2 ALA A 6 -4.377 4.031 1.265 1.00 1.00 H new ATOM 0 HB3 ALA A 6 -5.797 4.853 1.955 1.00 1.00 H new ATOM 83 N GLU A 7 -7.481 1.385 2.856 1.00 1.00 N ATOM 84 CA GLU A 7 -8.554 1.085 3.799 1.00 1.00 C ATOM 85 C GLU A 7 -8.252 1.635 5.184 1.00 1.00 C ATOM 86 O GLU A 7 -9.149 2.180 5.831 1.00 1.00 O ATOM 87 CB GLU A 7 -8.708 -0.419 3.908 1.00 1.00 C ATOM 88 CG GLU A 7 -9.218 -1.087 2.644 1.00 1.00 C ATOM 89 CD GLU A 7 -9.258 -2.598 2.768 1.00 1.00 C ATOM 90 OE1 GLU A 7 -8.255 -3.182 3.232 1.00 1.00 O ATOM 91 OE2 GLU A 7 -10.306 -3.205 2.428 1.00 1.00 O ATOM 0 H GLU A 7 -6.925 0.578 2.572 1.00 1.00 H new ATOM 0 HA GLU A 7 -9.467 1.551 3.429 1.00 1.00 H new ATOM 0 HB2 GLU A 7 -7.743 -0.853 4.171 1.00 1.00 H new ATOM 0 HB3 GLU A 7 -9.393 -0.644 4.726 1.00 1.00 H new ATOM 0 HG2 GLU A 7 -10.218 -0.717 2.418 1.00 1.00 H new ATOM 0 HG3 GLU A 7 -8.578 -0.810 1.806 1.00 1.00 H new ATOM 98 N TYR A 8 -7.006 1.490 5.640 1.00 1.00 N ATOM 99 CA TYR A 8 -6.588 1.935 6.966 1.00 1.00 C ATOM 100 C TYR A 8 -5.237 2.587 6.800 1.00 1.00 C ATOM 101 O TYR A 8 -4.498 2.237 5.878 1.00 1.00 O ATOM 102 CB TYR A 8 -6.471 0.752 7.946 1.00 1.00 C ATOM 103 CG TYR A 8 -7.766 0.007 8.136 1.00 1.00 C ATOM 104 CD1 TYR A 8 -8.093 -1.012 7.267 1.00 1.00 C ATOM 105 CD2 TYR A 8 -8.616 0.253 9.211 1.00 1.00 C ATOM 106 CE1 TYR A 8 -9.258 -1.746 7.398 1.00 1.00 C ATOM 107 CE2 TYR A 8 -9.792 -0.501 9.369 1.00 1.00 C ATOM 108 CZ TYR A 8 -10.081 -1.504 8.454 1.00 1.00 C ATOM 109 OH TYR A 8 -11.245 -2.255 8.563 1.00 1.00 O ATOM 0 H TYR A 8 -6.258 1.059 5.096 1.00 1.00 H new ATOM 0 HA TYR A 8 -7.325 2.625 7.377 1.00 1.00 H new ATOM 0 HB2 TYR A 8 -5.712 0.060 7.581 1.00 1.00 H new ATOM 0 HB3 TYR A 8 -6.127 1.122 8.912 1.00 1.00 H new ATOM 0 HD1 TYR A 8 -7.417 -1.245 6.457 1.00 1.00 H new ATOM 0 HD2 TYR A 8 -8.371 1.025 9.925 1.00 1.00 H new ATOM 0 HE1 TYR A 8 -9.511 -2.503 6.670 1.00 1.00 H new ATOM 0 HE2 TYR A 8 -10.462 -0.302 10.192 1.00 1.00 H new ATOM 0 HH TYR A 8 -11.738 -1.979 9.364 1.00 1.00 H new ATOM 119 N ASP A 9 -4.875 3.473 7.709 1.00 1.00 N ATOM 120 CA ASP A 9 -3.563 4.097 7.695 1.00 1.00 C ATOM 121 C ASP A 9 -2.508 3.034 7.995 1.00 1.00 C ATOM 122 O ASP A 9 -2.670 2.273 8.961 1.00 1.00 O ATOM 123 CB ASP A 9 -3.409 5.158 8.808 1.00 1.00 C ATOM 124 CG ASP A 9 -2.091 5.875 8.837 1.00 1.00 C ATOM 125 OD1 ASP A 9 -1.100 5.468 8.204 1.00 1.00 O ATOM 126 OD2 ASP A 9 -2.011 6.921 9.522 1.00 1.00 O ATOM 0 H ASP A 9 -5.477 3.780 8.473 1.00 1.00 H new ATOM 0 HA ASP A 9 -3.444 4.561 6.716 1.00 1.00 H new ATOM 0 HB2 ASP A 9 -4.203 5.897 8.695 1.00 1.00 H new ATOM 0 HB3 ASP A 9 -3.561 4.673 9.772 1.00 1.00 H new ATOM 131 N TYR A 10 -1.429 2.998 7.222 1.00 1.00 N ATOM 132 CA TYR A 10 -0.339 2.057 7.454 1.00 1.00 C ATOM 133 C TYR A 10 0.943 2.845 7.518 1.00 1.00 C ATOM 134 O TYR A 10 1.257 3.616 6.602 1.00 1.00 O ATOM 135 CB TYR A 10 -0.205 0.969 6.378 1.00 1.00 C ATOM 136 CG TYR A 10 1.029 0.139 6.639 1.00 1.00 C ATOM 137 CD1 TYR A 10 1.047 -0.775 7.674 1.00 1.00 C ATOM 138 CD2 TYR A 10 2.204 0.331 5.935 1.00 1.00 C ATOM 139 CE1 TYR A 10 2.172 -1.478 8.003 1.00 1.00 C ATOM 140 CE2 TYR A 10 3.345 -0.388 6.247 1.00 1.00 C ATOM 141 CZ TYR A 10 3.324 -1.274 7.278 1.00 1.00 C ATOM 142 OH TYR A 10 4.451 -1.991 7.653 1.00 1.00 O ATOM 0 H TYR A 10 -1.285 3.615 6.423 1.00 1.00 H new ATOM 0 HA TYR A 10 -0.557 1.533 8.385 1.00 1.00 H new ATOM 0 HB2 TYR A 10 -1.090 0.332 6.380 1.00 1.00 H new ATOM 0 HB3 TYR A 10 -0.144 1.427 5.391 1.00 1.00 H new ATOM 0 HD1 TYR A 10 0.143 -0.940 8.242 1.00 1.00 H new ATOM 0 HD2 TYR A 10 2.232 1.052 5.131 1.00 1.00 H new ATOM 0 HE1 TYR A 10 2.157 -2.184 8.820 1.00 1.00 H new ATOM 0 HE2 TYR A 10 4.249 -0.246 5.673 1.00 1.00 H new ATOM 0 HH TYR A 10 5.253 -1.540 7.315 1.00 1.00 H new ATOM 152 N ASP A 11 1.651 2.673 8.621 1.00 1.00 N ATOM 153 CA ASP A 11 2.912 3.359 8.831 1.00 1.00 C ATOM 154 C ASP A 11 4.077 2.417 8.604 1.00 1.00 C ATOM 155 O ASP A 11 4.215 1.420 9.321 1.00 1.00 O ATOM 156 CB ASP A 11 2.996 3.869 10.267 1.00 1.00 C ATOM 157 CG ASP A 11 2.085 5.040 10.540 1.00 1.00 C ATOM 158 OD1 ASP A 11 1.517 5.653 9.610 1.00 1.00 O ATOM 159 OD2 ASP A 11 1.850 5.373 11.707 1.00 1.00 O ATOM 0 H ASP A 11 1.371 2.061 9.388 1.00 1.00 H new ATOM 0 HA ASP A 11 2.961 4.189 8.126 1.00 1.00 H new ATOM 0 HB2 ASP A 11 2.745 3.056 10.949 1.00 1.00 H new ATOM 0 HB3 ASP A 11 4.024 4.160 10.482 1.00 1.00 H new ATOM 164 N ALA A 12 4.929 2.717 7.641 1.00 1.00 N ATOM 165 CA ALA A 12 6.075 1.856 7.418 1.00 1.00 C ATOM 166 C ALA A 12 6.980 1.829 8.635 1.00 1.00 C ATOM 167 O ALA A 12 7.327 2.854 9.195 1.00 1.00 O ATOM 168 CB ALA A 12 6.880 2.352 6.241 1.00 1.00 C ATOM 0 H ALA A 12 4.855 3.522 7.019 1.00 1.00 H new ATOM 0 HA ALA A 12 5.698 0.852 7.222 1.00 1.00 H new ATOM 0 HB1 ALA A 12 7.737 1.697 6.084 1.00 1.00 H new ATOM 0 HB2 ALA A 12 6.256 2.352 5.347 1.00 1.00 H new ATOM 0 HB3 ALA A 12 7.229 3.365 6.440 1.00 1.00 H new ATOM 174 N ALA A 13 7.429 0.631 8.976 1.00 1.00 N ATOM 175 CA ALA A 13 8.378 0.430 10.058 1.00 1.00 C ATOM 176 C ALA A 13 9.728 0.004 9.505 1.00 1.00 C ATOM 177 O ALA A 13 10.615 -0.365 10.263 1.00 1.00 O ATOM 178 CB ALA A 13 7.863 -0.624 11.043 1.00 1.00 C ATOM 0 H ALA A 13 7.145 -0.230 8.509 1.00 1.00 H new ATOM 0 HA ALA A 13 8.493 1.375 10.588 1.00 1.00 H new ATOM 0 HB1 ALA A 13 8.589 -0.758 11.845 1.00 1.00 H new ATOM 0 HB2 ALA A 13 6.914 -0.295 11.465 1.00 1.00 H new ATOM 0 HB3 ALA A 13 7.719 -1.570 10.521 1.00 1.00 H new ATOM 184 N GLU A 14 9.878 0.000 8.184 1.00 1.00 N ATOM 185 CA GLU A 14 11.120 -0.419 7.548 1.00 1.00 C ATOM 186 C GLU A 14 11.390 0.503 6.380 1.00 1.00 C ATOM 187 O GLU A 14 10.458 1.089 5.817 1.00 1.00 O ATOM 188 CB GLU A 14 11.058 -1.869 7.029 1.00 1.00 C ATOM 189 CG GLU A 14 10.959 -2.942 8.081 1.00 1.00 C ATOM 190 CD GLU A 14 10.756 -4.351 7.525 1.00 1.00 C ATOM 191 OE1 GLU A 14 10.686 -4.476 6.287 1.00 1.00 O ATOM 192 OE2 GLU A 14 10.691 -5.310 8.319 1.00 1.00 O ATOM 0 H GLU A 14 9.149 0.285 7.530 1.00 1.00 H new ATOM 0 HA GLU A 14 11.913 -0.371 8.295 1.00 1.00 H new ATOM 0 HB2 GLU A 14 10.199 -1.960 6.364 1.00 1.00 H new ATOM 0 HB3 GLU A 14 11.948 -2.057 6.428 1.00 1.00 H new ATOM 0 HG2 GLU A 14 11.868 -2.929 8.683 1.00 1.00 H new ATOM 0 HG3 GLU A 14 10.131 -2.705 8.749 1.00 1.00 H new ATOM 199 N ASP A 15 12.641 0.558 5.930 1.00 1.00 N ATOM 200 CA ASP A 15 13.009 1.393 4.800 1.00 1.00 C ATOM 201 C ASP A 15 12.338 0.995 3.499 1.00 1.00 C ATOM 202 O ASP A 15 12.017 1.859 2.699 1.00 1.00 O ATOM 203 CB ASP A 15 14.515 1.375 4.577 1.00 1.00 C ATOM 204 CG ASP A 15 15.238 2.370 5.431 1.00 1.00 C ATOM 205 OD1 ASP A 15 14.613 3.130 6.196 1.00 1.00 O ATOM 206 OD2 ASP A 15 16.491 2.407 5.446 1.00 1.00 O ATOM 0 H ASP A 15 13.415 0.031 6.335 1.00 1.00 H new ATOM 0 HA ASP A 15 12.664 2.392 5.066 1.00 1.00 H new ATOM 0 HB2 ASP A 15 14.897 0.376 4.787 1.00 1.00 H new ATOM 0 HB3 ASP A 15 14.725 1.582 3.528 1.00 1.00 H new ATOM 211 N ASN A 16 12.107 -0.306 3.307 1.00 1.00 N ATOM 212 CA ASN A 16 11.470 -0.795 2.080 1.00 1.00 C ATOM 213 C ASN A 16 9.942 -0.828 2.131 1.00 1.00 C ATOM 214 O ASN A 16 9.316 -1.288 1.182 1.00 1.00 O ATOM 215 CB ASN A 16 12.033 -2.176 1.687 1.00 1.00 C ATOM 216 CG ASN A 16 13.467 -2.123 1.238 1.00 1.00 C ATOM 217 OD1 ASN A 16 13.983 -1.103 0.874 1.00 1.00 O ATOM 218 ND2 ASN A 16 14.140 -3.278 1.278 1.00 1.00 N ATOM 0 H ASN A 16 12.349 -1.035 3.978 1.00 1.00 H new ATOM 0 HA ASN A 16 11.720 -0.065 1.310 1.00 1.00 H new ATOM 0 HB2 ASN A 16 11.950 -2.851 2.539 1.00 1.00 H new ATOM 0 HB3 ASN A 16 11.423 -2.596 0.887 1.00 1.00 H new ATOM 0 HD21 ASN A 16 15.119 -3.308 0.994 1.00 1.00 H new ATOM 0 HD22 ASN A 16 13.674 -4.129 1.592 1.00 1.00 H new ATOM 225 N GLU A 17 9.344 -0.296 3.199 1.00 1.00 N ATOM 226 CA GLU A 17 7.893 -0.277 3.354 1.00 1.00 C ATOM 227 C GLU A 17 7.298 1.084 3.069 1.00 1.00 C ATOM 228 O GLU A 17 7.861 2.121 3.436 1.00 1.00 O ATOM 229 CB GLU A 17 7.522 -0.672 4.782 1.00 1.00 C ATOM 230 CG GLU A 17 7.861 -2.118 5.067 1.00 1.00 C ATOM 231 CD GLU A 17 7.630 -2.539 6.492 1.00 1.00 C ATOM 232 OE1 GLU A 17 7.256 -1.679 7.311 1.00 1.00 O ATOM 233 OE2 GLU A 17 7.810 -3.741 6.786 1.00 1.00 O ATOM 0 H GLU A 17 9.851 0.131 3.975 1.00 1.00 H new ATOM 0 HA GLU A 17 7.489 -0.986 2.631 1.00 1.00 H new ATOM 0 HB2 GLU A 17 8.049 -0.029 5.486 1.00 1.00 H new ATOM 0 HB3 GLU A 17 6.456 -0.510 4.939 1.00 1.00 H new ATOM 0 HG2 GLU A 17 7.266 -2.754 4.412 1.00 1.00 H new ATOM 0 HG3 GLU A 17 8.907 -2.290 4.815 1.00 1.00 H new ATOM 240 N LEU A 18 6.150 1.087 2.385 1.00 1.00 N ATOM 241 CA LEU A 18 5.424 2.321 2.085 1.00 1.00 C ATOM 242 C LEU A 18 4.659 2.794 3.307 1.00 1.00 C ATOM 243 O LEU A 18 4.130 1.998 4.090 1.00 1.00 O ATOM 244 CB LEU A 18 4.389 2.073 0.993 1.00 1.00 C ATOM 245 CG LEU A 18 4.884 1.825 -0.424 1.00 1.00 C ATOM 246 CD1 LEU A 18 3.774 1.309 -1.331 1.00 1.00 C ATOM 247 CD2 LEU A 18 5.421 3.107 -0.964 1.00 1.00 C ATOM 0 H LEU A 18 5.703 0.243 2.028 1.00 1.00 H new ATOM 0 HA LEU A 18 6.158 3.063 1.770 1.00 1.00 H new ATOM 0 HB2 LEU A 18 3.790 1.213 1.292 1.00 1.00 H new ATOM 0 HB3 LEU A 18 3.721 2.934 0.966 1.00 1.00 H new ATOM 0 HG LEU A 18 5.660 1.060 -0.395 1.00 1.00 H new ATOM 0 HD11 LEU A 18 4.170 1.145 -2.333 1.00 1.00 H new ATOM 0 HD12 LEU A 18 3.388 0.370 -0.935 1.00 1.00 H new ATOM 0 HD13 LEU A 18 2.969 2.043 -1.374 1.00 1.00 H new ATOM 0 HD21 LEU A 18 5.782 2.951 -1.981 1.00 1.00 H new ATOM 0 HD22 LEU A 18 4.631 3.858 -0.970 1.00 1.00 H new ATOM 0 HD23 LEU A 18 6.243 3.450 -0.336 1.00 1.00 H new ATOM 259 N THR A 19 4.589 4.100 3.439 1.00 1.00 N ATOM 260 CA THR A 19 3.841 4.796 4.472 1.00 1.00 C ATOM 261 C THR A 19 2.708 5.518 3.753 1.00 1.00 C ATOM 262 O THR A 19 2.954 6.187 2.765 1.00 1.00 O ATOM 263 CB THR A 19 4.730 5.821 5.197 1.00 1.00 C ATOM 264 OG1 THR A 19 5.834 5.138 5.780 1.00 1.00 O ATOM 265 CG2 THR A 19 3.992 6.533 6.336 1.00 1.00 C ATOM 0 H THR A 19 5.071 4.736 2.804 1.00 1.00 H new ATOM 0 HA THR A 19 3.472 4.098 5.223 1.00 1.00 H new ATOM 0 HB THR A 19 5.038 6.560 4.458 1.00 1.00 H new ATOM 0 HG1 THR A 19 6.409 5.782 6.244 1.00 1.00 H new ATOM 0 HG21 THR A 19 4.663 7.246 6.815 1.00 1.00 H new ATOM 0 HG22 THR A 19 3.128 7.062 5.935 1.00 1.00 H new ATOM 0 HG23 THR A 19 3.659 5.798 7.069 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 5.994 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 -1.574 3.330 3.168 1.00 1.00 C ATOM 280 CD2 PHE A 20 0.490 2.803 2.115 1.00 1.00 C ATOM 281 CE1 PHE A 20 -1.846 1.986 3.310 1.00 1.00 C ATOM 282 CE2 PHE A 20 0.216 1.456 2.253 1.00 1.00 C ATOM 283 CZ PHE A 20 -0.946 1.053 2.860 1.00 1.00 C ATOM 0 H PHE A 20 1.248 4.813 5.065 1.00 1.00 H new ATOM 0 HA PHE A 20 0.645 6.984 3.252 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 -2.289 4.058 3.522 1.00 1.00 H new ATOM 0 HD2 PHE A 20 1.409 3.113 1.640 1.00 1.00 H new ATOM 0 HE1 PHE A 20 -2.767 1.668 3.775 1.00 1.00 H new ATOM 0 HE2 PHE A 20 0.916 0.721 1.883 1.00 1.00 H new ATOM 0 HZ PHE A 20 -1.153 0.000 2.984 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 4.315 1.00 1.00 C ATOM 296 O VAL A 21 -4.213 6.497 3.097 1.00 1.00 O ATOM 297 CB VAL A 21 -3.131 8.621 5.456 1.00 1.00 C ATOM 298 CG1 VAL A 21 -2.000 9.019 6.396 1.00 1.00 C ATOM 299 CG2 VAL A 21 -3.192 9.531 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 -2.822 6.564 5.947 1.00 1.00 H new ATOM 0 HB VAL A 21 -4.077 8.729 5.986 1.00 1.00 H new ATOM 0 HG11 VAL A 21 -2.121 10.061 6.690 1.00 1.00 H new ATOM 0 HG12 VAL A 21 -2.025 8.386 7.283 1.00 1.00 H new ATOM 0 HG13 VAL A 21 -1.044 8.894 5.888 1.00 1.00 H new ATOM 0 HG21 VAL A 21 -3.308 10.563 4.582 1.00 1.00 H new ATOM 0 HG22 VAL A 21 -2.271 9.435 3.677 1.00 1.00 H new ATOM 0 HG23 VAL A 21 -4.041 9.252 3.628 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 6.010 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 6.163 5.667 1.00 1.00 C ATOM 314 CG GLU A 22 -8.950 5.503 5.283 1.00 1.00 C ATOM 315 CD GLU A 22 -10.081 5.740 6.270 1.00 1.00 C ATOM 316 OE1 GLU A 22 -9.812 6.303 7.342 1.00 1.00 O ATOM 317 OE2 GLU A 22 -11.237 5.354 5.972 1.00 1.00 O ATOM 0 H GLU A 22 -5.242 6.499 6.098 1.00 1.00 H new ATOM 0 HA GLU A 22 -6.512 4.969 4.244 1.00 1.00 H new ATOM 0 HB2 GLU A 22 -7.247 5.719 6.592 1.00 1.00 H new ATOM 0 HB3 GLU A 22 -7.781 7.222 5.865 1.00 1.00 H new ATOM 0 HG2 GLU A 22 -9.255 5.874 4.305 1.00 1.00 H new ATOM 0 HG3 GLU A 22 -8.793 4.429 5.182 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 -7.825 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 8.110 1.337 1.00 1.00 C ATOM 329 CG ASN A 23 -10.059 7.659 1.909 1.00 1.00 C ATOM 330 OD1 ASN A 23 -10.581 6.594 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 -8.390 6.156 0.600 1.00 1.00 H new ATOM 0 HB2 ASN A 23 -8.276 8.819 2.017 1.00 1.00 H new ATOM 0 HB3 ASN A 23 -8.920 8.636 0.398 1.00 1.00 H new ATOM 0 HD21 ASN A 23 -11.444 8.156 3.319 1.00 1.00 H new ATOM 0 HD22 ASN A 23 -10.109 9.296 3.121 1.00 1.00 H new ATOM 338 N ASP A 24 -5.480 7.124 0.493 1.00 1.00 N ATOM 339 CA ASP A 24 -4.419 7.246 -0.499 1.00 1.00 C ATOM 340 C ASP A 24 -4.522 6.088 -1.481 1.00 1.00 C ATOM 341 O ASP A 24 -4.906 4.987 -1.113 1.00 1.00 O ATOM 342 CB ASP A 24 -3.037 7.176 0.154 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 0.749 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 -5.172 6.924 1.445 1.00 1.00 H new ATOM 0 HA ASP A 24 -4.535 8.208 -0.998 1.00 1.00 H new ATOM 0 HB2 ASP A 24 -3.016 6.330 0.841 1.00 1.00 H new ATOM 0 HB3 ASP A 24 -2.293 6.978 -0.618 1.00 1.00 H new ATOM 350 N LYS A 25 -4.155 6.328 -2.725 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 5.438 -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 -6.507 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 7.544 -7.868 1.00 1.00 N ATOM 0 H LYS A 25 -3.873 7.249 -3.059 1.00 1.00 H new ATOM 0 HA LYS A 25 -4.777 4.491 -3.420 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 -6.662 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 -5.957 7.618 -6.651 1.00 1.00 H new ATOM 0 HD3 LYS A 25 -6.232 5.978 -7.203 1.00 1.00 H new ATOM 0 HE2 LYS A 25 -8.559 6.060 -6.337 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 7.724 -7.894 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 -7.872 8.435 -8.029 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 -8.133 6.862 -8.612 1.00 1.00 H new ATOM 372 N ILE A 26 -2.647 3.411 -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 -1.567 2.086 -5.686 1.00 1.00 C ATOM 375 O ILE A 26 -2.535 1.374 -5.948 1.00 1.00 O ATOM 376 CB ILE A 26 -1.196 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 2.809 -4.075 1.00 1.00 H new ATOM 0 HA ILE A 26 -0.530 3.340 -4.215 1.00 1.00 H new ATOM 0 HB ILE A 26 -2.077 0.948 -3.246 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 -1.967 1.00 1.00 H new ATOM 0 HG21 ILE A 26 0.227 0.013 -2.894 1.00 1.00 H new ATOM 0 HG22 ILE A 26 -0.063 0.363 -4.615 1.00 1.00 H new ATOM 0 HG23 ILE A 26 0.921 1.475 -3.634 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 -0.627 2.363 -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 -7.667 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 0.705 3.854 -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 4.958 -10.013 1.00 1.00 C ATOM 0 H ILE A 27 0.238 2.850 -6.339 1.00 1.00 H new ATOM 0 HA ILE A 27 -1.703 1.516 -8.109 1.00 1.00 H new ATOM 0 HB ILE A 27 -0.966 2.950 -9.891 1.00 1.00 H new ATOM 0 HG12 ILE A 27 0.974 4.261 -7.977 1.00 1.00 H new ATOM 0 HG13 ILE A 27 1.423 3.065 -9.177 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 5.353 -10.026 1.00 1.00 H new ATOM 0 HD12 ILE A 27 0.570 4.546 -10.993 1.00 1.00 H new ATOM 0 HD13 ILE A 27 0.114 5.761 -9.775 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 -0.589 -10.099 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 2.068 1.080 -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 -11.653 1.00 1.00 N ATOM 0 H ASN A 28 -0.673 0.552 -10.138 1.00 1.00 H new ATOM 0 HA ASN A 28 0.594 -1.060 -10.950 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 -0.693 -10.976 1.00 1.00 H new ATOM 0 HD21 ASN A 28 2.450 3.003 -12.300 1.00 1.00 H new ATOM 0 HD22 ASN A 28 3.415 2.402 -10.948 1.00 1.00 H new ATOM 424 N ILE A 29 0.385 -2.243 -8.508 1.00 1.00 N ATOM 425 CA ILE A 29 0.585 -3.282 -7.521 1.00 1.00 C ATOM 426 C ILE A 29 1.109 -4.553 -8.171 1.00 1.00 C ATOM 427 O ILE A 29 0.587 -5.019 -9.181 1.00 1.00 O ATOM 428 CB ILE A 29 -0.713 -3.538 -6.766 1.00 1.00 C ATOM 429 CG1 ILE A 29 -1.066 -2.268 -6.000 1.00 1.00 C ATOM 430 CG2 ILE A 29 -0.611 -4.741 -5.822 1.00 1.00 C ATOM 431 CD1 ILE A 29 -2.449 -2.221 -5.431 1.00 1.00 C ATOM 0 H ILE A 29 -0.590 -2.018 -8.706 1.00 1.00 H new ATOM 0 HA ILE A 29 1.337 -2.949 -6.806 1.00 1.00 H new ATOM 0 HB ILE A 29 -1.500 -3.785 -7.479 1.00 1.00 H new ATOM 0 HG12 ILE A 29 -0.353 -2.146 -5.185 1.00 1.00 H new ATOM 0 HG13 ILE A 29 -0.937 -1.415 -6.666 1.00 1.00 H new ATOM 0 HG21 ILE A 29 -1.562 -4.881 -5.308 1.00 1.00 H new ATOM 0 HG22 ILE A 29 -0.374 -5.636 -6.397 1.00 1.00 H new ATOM 0 HG23 ILE A 29 0.175 -4.562 -5.089 1.00 1.00 H new ATOM 0 HD11 ILE A 29 -2.595 -1.276 -4.907 1.00 1.00 H new ATOM 0 HD12 ILE A 29 -3.177 -2.305 -6.238 1.00 1.00 H new ATOM 0 HD13 ILE A 29 -2.584 -3.047 -4.733 1.00 1.00 H new ATOM 443 N GLU A 30 2.162 -5.083 -7.567 1.00 1.00 N ATOM 444 CA GLU A 30 2.809 -6.302 -7.997 1.00 1.00 C ATOM 445 C GLU A 30 2.561 -7.341 -6.922 1.00 1.00 C ATOM 446 O GLU A 30 2.703 -7.069 -5.728 1.00 1.00 O ATOM 447 CB GLU A 30 4.299 -6.039 -8.269 1.00 1.00 C ATOM 448 CG GLU A 30 4.424 -5.145 -9.510 1.00 1.00 C ATOM 449 CD GLU A 30 5.821 -4.642 -9.881 1.00 1.00 C ATOM 450 OE1 GLU A 30 6.836 -5.059 -9.284 1.00 1.00 O ATOM 451 OE2 GLU A 30 5.911 -3.903 -10.874 1.00 1.00 O ATOM 0 H GLU A 30 2.597 -4.663 -6.745 1.00 1.00 H new ATOM 0 HA GLU A 30 2.403 -6.675 -8.938 1.00 1.00 H new ATOM 0 HB2 GLU A 30 4.761 -5.556 -7.408 1.00 1.00 H new ATOM 0 HB3 GLU A 30 4.826 -6.980 -8.427 1.00 1.00 H new ATOM 0 HG2 GLU A 30 4.028 -5.696 -10.363 1.00 1.00 H new ATOM 0 HG3 GLU A 30 3.781 -4.277 -9.365 1.00 1.00 H new ATOM 458 N PHE A 31 2.152 -8.531 -7.350 1.00 1.00 N ATOM 459 CA PHE A 31 1.791 -9.608 -6.440 1.00 1.00 C ATOM 460 C PHE A 31 3.059 -10.269 -5.920 1.00 1.00 C ATOM 461 O PHE A 31 3.327 -11.439 -6.177 1.00 1.00 O ATOM 462 CB PHE A 31 0.876 -10.598 -7.167 1.00 1.00 C ATOM 463 CG PHE A 31 -0.488 -10.021 -7.466 1.00 1.00 C ATOM 464 CD1 PHE A 31 -1.503 -10.146 -6.559 1.00 1.00 C ATOM 465 CD2 PHE A 31 -0.754 -9.396 -8.664 1.00 1.00 C ATOM 466 CE1 PHE A 31 -2.779 -9.623 -6.822 1.00 1.00 C ATOM 467 CE2 PHE A 31 -2.003 -8.879 -8.922 1.00 1.00 C ATOM 468 CZ PHE A 31 -3.011 -9.001 -8.013 1.00 1.00 C ATOM 0 H PHE A 31 2.062 -8.774 -8.337 1.00 1.00 H new ATOM 0 HA PHE A 31 1.243 -9.222 -5.581 1.00 1.00 H new ATOM 0 HB2 PHE A 31 1.348 -10.905 -8.100 1.00 1.00 H new ATOM 0 HB3 PHE A 31 0.761 -11.495 -6.558 1.00 1.00 H new ATOM 0 HD1 PHE A 31 -1.320 -10.656 -5.624 1.00 1.00 H new ATOM 0 HD2 PHE A 31 0.025 -9.311 -9.408 1.00 1.00 H new ATOM 0 HE1 PHE A 31 -3.568 -9.712 -6.090 1.00 1.00 H new ATOM 0 HE2 PHE A 31 -2.187 -8.370 -9.857 1.00 1.00 H new ATOM 0 HZ PHE A 31 -3.991 -8.606 -8.235 1.00 1.00 H new ATOM 478 N VAL A 32 3.803 -9.539 -5.108 1.00 1.00 N ATOM 479 CA VAL A 32 5.041 -10.069 -4.536 1.00 1.00 C ATOM 480 C VAL A 32 4.828 -11.210 -3.567 1.00 1.00 C ATOM 481 O VAL A 32 5.535 -12.197 -3.653 1.00 1.00 O ATOM 482 CB VAL A 32 5.880 -8.967 -3.838 1.00 1.00 C ATOM 483 CG1 VAL A 32 7.081 -9.577 -3.128 1.00 1.00 C ATOM 484 CG2 VAL A 32 6.318 -7.899 -4.821 1.00 1.00 C ATOM 0 H VAL A 32 3.579 -8.584 -4.828 1.00 1.00 H new ATOM 0 HA VAL A 32 5.588 -10.459 -5.394 1.00 1.00 H new ATOM 0 HB VAL A 32 5.247 -8.487 -3.092 1.00 1.00 H new ATOM 0 HG11 VAL A 32 7.657 -8.788 -2.644 1.00 1.00 H new ATOM 0 HG12 VAL A 32 6.737 -10.288 -2.377 1.00 1.00 H new ATOM 0 HG13 VAL A 32 7.710 -10.092 -3.854 1.00 1.00 H new ATOM 0 HG21 VAL A 32 6.904 -7.142 -4.299 1.00 1.00 H new ATOM 0 HG22 VAL A 32 6.926 -8.352 -5.604 1.00 1.00 H new ATOM 0 HG23 VAL A 32 5.440 -7.433 -5.268 1.00 1.00 H new ATOM 494 N ASP A 33 3.852 -11.095 -2.681 1.00 1.00 N ATOM 495 CA ASP A 33 3.523 -12.129 -1.709 1.00 1.00 C ATOM 496 C ASP A 33 2.004 -12.128 -1.561 1.00 1.00 C ATOM 497 O ASP A 33 1.357 -11.165 -1.939 1.00 1.00 O ATOM 498 CB ASP A 33 4.239 -11.811 -0.392 1.00 1.00 C ATOM 499 CG ASP A 33 3.894 -12.769 0.706 1.00 1.00 C ATOM 500 OD1 ASP A 33 4.218 -13.987 0.637 1.00 1.00 O ATOM 501 OD2 ASP A 33 3.261 -12.322 1.698 1.00 1.00 O ATOM 0 H ASP A 33 3.257 -10.269 -2.615 1.00 1.00 H new ATOM 0 HA ASP A 33 3.850 -13.121 -2.021 1.00 1.00 H new ATOM 0 HB2 ASP A 33 5.316 -11.828 -0.557 1.00 1.00 H new ATOM 0 HB3 ASP A 33 3.981 -10.799 -0.079 1.00 1.00 H new ATOM 506 N ASP A 34 1.431 -13.213 -1.016 1.00 1.00 N ATOM 507 CA ASP A 34 -0.012 -13.317 -0.831 1.00 1.00 C ATOM 508 C ASP A 34 -0.526 -12.280 0.160 1.00 1.00 C ATOM 509 O ASP A 34 -1.649 -11.807 0.050 1.00 1.00 O ATOM 510 CB ASP A 34 -0.409 -14.689 -0.256 1.00 1.00 C ATOM 511 CG ASP A 34 0.285 -15.021 1.029 1.00 1.00 C ATOM 512 OD1 ASP A 34 1.448 -14.642 1.233 1.00 1.00 O ATOM 513 OD2 ASP A 34 -0.284 -15.713 1.898 1.00 1.00 O ATOM 0 H ASP A 34 1.953 -14.029 -0.697 1.00 1.00 H new ATOM 0 HA ASP A 34 -0.446 -13.164 -1.819 1.00 1.00 H new ATOM 0 HB2 ASP A 34 -1.487 -14.708 -0.093 1.00 1.00 H new ATOM 0 HB3 ASP A 34 -0.184 -15.461 -0.991 1.00 1.00 H new ATOM 518 N ASP A 35 0.291 -11.951 1.153 1.00 1.00 N ATOM 519 CA ASP A 35 -0.086 -11.018 2.215 1.00 1.00 C ATOM 520 C ASP A 35 0.373 -9.585 2.006 1.00 1.00 C ATOM 521 O ASP A 35 -0.346 -8.637 2.347 1.00 1.00 O ATOM 522 CB ASP A 35 0.465 -11.539 3.554 1.00 1.00 C ATOM 523 CG ASP A 35 -0.045 -10.733 4.711 1.00 1.00 C ATOM 524 OD1 ASP A 35 -1.116 -10.079 4.698 1.00 1.00 O ATOM 525 OD2 ASP A 35 0.686 -10.685 5.720 1.00 1.00 O ATOM 0 H ASP A 35 1.236 -12.323 1.247 1.00 1.00 H new ATOM 0 HA ASP A 35 -1.175 -10.979 2.207 1.00 1.00 H new ATOM 0 HB2 ASP A 35 0.181 -12.583 3.684 1.00 1.00 H new ATOM 0 HB3 ASP A 35 1.554 -11.505 3.538 1.00 1.00 H new ATOM 530 N TRP A 36 1.582 -9.432 1.499 1.00 1.00 N ATOM 531 CA TRP A 36 2.163 -8.129 1.269 1.00 1.00 C ATOM 532 C TRP A 36 2.410 -7.992 -0.219 1.00 1.00 C ATOM 533 O TRP A 36 2.817 -8.962 -0.863 1.00 1.00 O ATOM 534 CB TRP A 36 3.482 -8.005 2.016 1.00 1.00 C ATOM 535 CG TRP A 36 3.313 -7.917 3.490 1.00 1.00 C ATOM 536 CD1 TRP A 36 2.907 -8.904 4.336 1.00 1.00 C ATOM 537 CD2 TRP A 36 3.491 -6.748 4.286 1.00 1.00 C ATOM 538 NE1 TRP A 36 2.843 -8.421 5.621 1.00 1.00 N ATOM 539 CE2 TRP A 36 3.213 -7.098 5.623 1.00 1.00 C ATOM 540 CE3 TRP A 36 3.920 -5.455 4.019 1.00 1.00 C ATOM 541 CZ2 TRP A 36 3.317 -6.177 6.677 1.00 1.00 C ATOM 542 CZ3 TRP A 36 4.038 -4.563 5.066 1.00 1.00 C ATOM 543 CH2 TRP A 36 3.742 -4.928 6.369 1.00 1.00 C ATOM 0 H TRP A 36 2.187 -10.210 1.236 1.00 1.00 H new ATOM 0 HA TRP A 36 1.491 -7.348 1.624 1.00 1.00 H new ATOM 0 HB2 TRP A 36 4.109 -8.865 1.779 1.00 1.00 H new ATOM 0 HB3 TRP A 36 4.010 -7.119 1.664 1.00 1.00 H new ATOM 0 HD1 TRP A 36 2.671 -9.916 4.041 1.00 1.00 H new ATOM 0 HE1 TRP A 36 2.565 -8.959 6.442 1.00 1.00 H new ATOM 0 HE3 TRP A 36 4.157 -5.152 3.010 1.00 1.00 H new ATOM 0 HZ2 TRP A 36 3.069 -6.452 7.691 1.00 1.00 H new ATOM 0 HZ3 TRP A 36 4.369 -3.555 4.864 1.00 1.00 H new ATOM 0 HH2 TRP A 36 3.853 -4.199 7.158 1.00 1.00 H new ATOM 554 N TRP A 37 2.169 -6.796 -0.751 1.00 1.00 N ATOM 555 CA TRP A 37 2.368 -6.505 -2.145 1.00 1.00 C ATOM 556 C TRP A 37 3.259 -5.287 -2.250 1.00 1.00 C ATOM 557 O TRP A 37 3.332 -4.472 -1.342 1.00 1.00 O ATOM 558 CB TRP A 37 1.062 -6.254 -2.878 1.00 1.00 C ATOM 559 CG TRP A 37 0.197 -7.480 -3.025 1.00 1.00 C ATOM 560 CD1 TRP A 37 0.618 -8.745 -3.298 1.00 1.00 C ATOM 561 CD2 TRP A 37 -1.233 -7.551 -2.927 1.00 1.00 C ATOM 562 NE1 TRP A 37 -0.457 -9.601 -3.385 1.00 1.00 N ATOM 563 CE2 TRP A 37 -1.604 -8.896 -3.155 1.00 1.00 C ATOM 564 CE3 TRP A 37 -2.231 -6.628 -2.662 1.00 1.00 C ATOM 565 CZ2 TRP A 37 -2.919 -9.320 -3.138 1.00 1.00 C ATOM 566 CZ3 TRP A 37 -3.553 -7.065 -2.662 1.00 1.00 C ATOM 567 CH2 TRP A 37 -3.872 -8.395 -2.886 1.00 1.00 C ATOM 0 H TRP A 37 1.827 -6.002 -0.210 1.00 1.00 H new ATOM 0 HA TRP A 37 2.830 -7.372 -2.616 1.00 1.00 H new ATOM 0 HB2 TRP A 37 0.500 -5.487 -2.346 1.00 1.00 H new ATOM 0 HB3 TRP A 37 1.284 -5.857 -3.869 1.00 1.00 H new ATOM 0 HD1 TRP A 37 1.650 -9.036 -3.428 1.00 1.00 H new ATOM 0 HE1 TRP A 37 -0.405 -10.599 -3.588 1.00 1.00 H new ATOM 0 HE3 TRP A 37 -1.990 -5.595 -2.460 1.00 1.00 H new ATOM 0 HZ2 TRP A 37 -3.176 -10.353 -3.319 1.00 1.00 H new ATOM 0 HZ3 TRP A 37 -4.346 -6.353 -2.484 1.00 1.00 H new ATOM 0 HH2 TRP A 37 -4.908 -8.700 -2.859 1.00 1.00 H new ATOM 578 N LEU A 38 3.947 -5.188 -3.369 1.00 1.00 N ATOM 579 CA LEU A 38 4.815 -4.075 -3.656 1.00 1.00 C ATOM 580 C LEU A 38 4.065 -3.101 -4.576 1.00 1.00 C ATOM 581 O LEU A 38 3.553 -3.519 -5.615 1.00 1.00 O ATOM 582 CB LEU A 38 6.035 -4.570 -4.381 1.00 1.00 C ATOM 583 CG LEU A 38 7.172 -3.682 -4.907 1.00 1.00 C ATOM 584 CD1 LEU A 38 7.790 -2.860 -3.787 1.00 1.00 C ATOM 585 CD2 LEU A 38 8.245 -4.454 -5.622 1.00 1.00 C ATOM 0 H LEU A 38 3.916 -5.888 -4.110 1.00 1.00 H new ATOM 0 HA LEU A 38 5.109 -3.583 -2.729 1.00 1.00 H new ATOM 0 HB2 LEU A 38 6.505 -5.294 -3.715 1.00 1.00 H new ATOM 0 HB3 LEU A 38 5.665 -5.124 -5.244 1.00 1.00 H new ATOM 0 HG LEU A 38 6.712 -3.015 -5.637 1.00 1.00 H new ATOM 0 HD11 LEU A 38 8.592 -2.241 -4.190 1.00 1.00 H new ATOM 0 HD12 LEU A 38 7.028 -2.221 -3.341 1.00 1.00 H new ATOM 0 HD13 LEU A 38 8.194 -3.528 -3.026 1.00 1.00 H new ATOM 0 HD21 LEU A 38 9.018 -3.768 -5.968 1.00 1.00 H new ATOM 0 HD22 LEU A 38 8.685 -5.182 -4.940 1.00 1.00 H new ATOM 0 HD23 LEU A 38 7.811 -4.973 -6.477 1.00 1.00 H new ATOM 597 N GLY A 39 4.026 -1.830 -4.224 1.00 1.00 N ATOM 598 CA GLY A 39 3.371 -0.870 -5.078 1.00 1.00 C ATOM 599 C GLY A 39 4.074 0.466 -5.063 1.00 1.00 C ATOM 600 O GLY A 39 5.226 0.574 -4.634 1.00 1.00 O ATOM 0 H GLY A 39 4.432 -1.448 -3.370 1.00 1.00 H new ATOM 0 HA2 GLY A 39 3.340 -1.253 -6.098 1.00 1.00 H new ATOM 0 HA3 GLY A 39 2.338 -0.741 -4.754 1.00 1.00 H new ATOM 604 N GLU A 40 3.352 1.474 -5.516 1.00 1.00 N ATOM 605 CA GLU A 40 3.834 2.836 -5.602 1.00 1.00 C ATOM 606 C GLU A 40 2.709 3.790 -5.234 1.00 1.00 C ATOM 607 O GLU A 40 1.568 3.603 -5.640 1.00 1.00 O ATOM 608 CB GLU A 40 4.292 3.107 -7.026 1.00 1.00 C ATOM 609 CG GLU A 40 4.844 4.502 -7.252 1.00 1.00 C ATOM 610 CD GLU A 40 5.265 4.781 -8.685 1.00 1.00 C ATOM 611 OE1 GLU A 40 4.831 4.016 -9.592 1.00 1.00 O ATOM 612 OE2 GLU A 40 5.966 5.793 -8.903 1.00 1.00 O ATOM 0 H GLU A 40 2.392 1.364 -5.842 1.00 1.00 H new ATOM 0 HA GLU A 40 4.668 2.982 -4.916 1.00 1.00 H new ATOM 0 HB2 GLU A 40 5.058 2.379 -7.293 1.00 1.00 H new ATOM 0 HB3 GLU A 40 3.451 2.948 -7.702 1.00 1.00 H new ATOM 0 HG2 GLU A 40 4.089 5.231 -6.959 1.00 1.00 H new ATOM 0 HG3 GLU A 40 5.703 4.651 -6.597 1.00 1.00 H new ATOM 619 N LEU A 41 3.032 4.828 -4.465 1.00 1.00 N ATOM 620 CA LEU A 41 2.002 5.785 -4.092 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 -2.912 1.00 1.00 C ATOM 624 CG LEU A 41 2.672 5.912 -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 4.961 -1.246 1.00 1.00 C ATOM 0 H LEU A 41 3.965 5.022 -4.101 1.00 1.00 H new ATOM 0 HA LEU A 41 1.136 5.181 -3.820 1.00 1.00 H new ATOM 0 HB2 LEU A 41 3.321 7.180 -3.184 1.00 1.00 H new ATOM 0 HB3 LEU A 41 1.637 7.383 -2.742 1.00 1.00 H new ATOM 0 HG LEU A 41 3.573 5.314 -1.740 1.00 1.00 H new ATOM 0 HD11 LEU A 41 3.094 6.377 0.461 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 2.034 7.551 -0.356 1.00 1.00 H new ATOM 0 HD21 LEU A 41 1.821 4.472 -0.301 1.00 1.00 H new ATOM 0 HD22 LEU A 41 0.643 5.504 -1.147 1.00 1.00 H new ATOM 0 HD23 LEU A 41 1.487 4.209 -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 -0.099 7.853 -6.433 1.00 1.00 C ATOM 640 C GLU A 42 0.407 9.247 -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 7.876 -6.458 1.00 1.00 C ATOM 643 CG GLU A 42 -2.206 8.943 -7.374 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 9.144 -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 6.341 -5.018 1.00 1.00 H new ATOM 0 HA GLU A 42 0.297 7.588 -7.413 1.00 1.00 H new ATOM 0 HB2 GLU A 42 -2.006 6.900 -6.777 1.00 1.00 H new ATOM 0 HB3 GLU A 42 -2.011 8.040 -5.446 1.00 1.00 H new ATOM 0 HG2 GLU A 42 -1.571 9.826 -7.308 1.00 1.00 H new ATOM 0 HG3 GLU A 42 -2.145 8.583 -8.401 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 0.109 11.248 -2.997 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 8.908 -3.988 1.00 1.00 H new ATOM 0 HA LYS A 43 0.094 11.522 -5.145 1.00 1.00 H new ATOM 0 HB2 LYS A 43 0.074 12.328 -2.852 1.00 1.00 H new ATOM 0 HB3 LYS A 43 -0.916 10.884 -2.930 1.00 1.00 H new ATOM 0 HG2 LYS A 43 1.117 9.590 -2.116 1.00 1.00 H new ATOM 0 HG3 LYS A 43 1.879 11.139 -1.815 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 10.540 -4.527 1.00 1.00 N ATOM 676 CA ASP A 44 4.444 10.977 -4.535 1.00 1.00 C ATOM 677 C ASP A 44 5.416 10.098 -5.295 1.00 1.00 C ATOM 678 O ASP A 44 6.595 10.405 -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 5.028 9.980 -2.243 1.00 1.00 C ATOM 681 OD1 ASP A 44 4.929 8.832 -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 9.529 -4.519 1.00 1.00 H new ATOM 0 HA ASP A 44 4.423 11.911 -5.096 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 4.293 11.936 -2.614 1.00 1.00 H new ATOM 687 N GLY A 45 4.968 8.996 -5.887 1.00 1.00 N ATOM 688 CA GLY A 45 5.889 8.155 -6.631 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 8.673 -5.867 1.00 1.00 H new ATOM 0 HA2 GLY A 45 5.313 7.532 -7.315 1.00 1.00 H new ATOM 0 HA3 GLY A 45 6.526 8.795 -7.242 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 6.369 -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 5.852 4.689 -4.170 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 6.469 -3.912 1.00 1.00 H new ATOM 0 HB2 SER A 46 8.035 6.092 -1.576 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 -3.677 1.00 1.00 N ATOM 706 CA LYS A 47 7.609 2.578 -3.921 1.00 1.00 C ATOM 707 C LYS A 47 8.059 1.764 -2.747 1.00 1.00 C ATOM 708 O LYS A 47 9.032 2.107 -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 -8.893 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 8.867 4.156 -3.375 1.00 1.00 H new ATOM 0 HA LYS A 47 6.534 2.481 -4.071 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 8.143 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 1.154 -7.804 1.00 1.00 H new ATOM 0 HE2 LYS A 47 7.155 3.445 -8.773 1.00 1.00 H new ATOM 0 HE3 LYS A 47 8.860 3.827 -8.921 1.00 1.00 H new ATOM 0 HZ1 LYS A 47 7.980 2.935 -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 7.375 0.660 -2.491 1.00 1.00 N ATOM 728 CA GLY A 48 7.741 -0.191 -1.382 1.00 1.00 C ATOM 729 C GLY A 48 6.677 -1.205 -1.047 1.00 1.00 C ATOM 730 O GLY A 48 5.575 -1.197 -1.606 1.00 1.00 O ATOM 0 H GLY A 48 6.572 0.339 -3.033 1.00 1.00 H new ATOM 0 HA2 GLY A 48 8.669 -0.710 -1.620 1.00 1.00 H new ATOM 0 HA3 GLY A 48 7.937 0.427 -0.505 1.00 1.00 H new ATOM 734 N LEU A 49 7.017 -2.066 -0.104 1.00 1.00 N ATOM 735 CA LEU A 49 6.141 -3.107 0.363 1.00 1.00 C ATOM 736 C LEU A 49 5.012 -2.549 1.209 1.00 1.00 C ATOM 737 O LEU A 49 5.215 -1.669 2.062 1.00 1.00 O ATOM 738 CB LEU A 49 6.938 -4.084 1.225 1.00 1.00 C ATOM 739 CG LEU A 49 7.969 -4.937 0.509 1.00 1.00 C ATOM 740 CD1 LEU A 49 8.793 -5.674 1.528 1.00 1.00 C ATOM 741 CD2 LEU A 49 7.276 -5.917 -0.432 1.00 1.00 C ATOM 0 H LEU A 49 7.925 -2.055 0.361 1.00 1.00 H new ATOM 0 HA LEU A 49 5.717 -3.602 -0.511 1.00 1.00 H new ATOM 0 HB2 LEU A 49 7.447 -3.515 2.003 1.00 1.00 H new ATOM 0 HB3 LEU A 49 6.234 -4.749 1.726 1.00 1.00 H new ATOM 0 HG LEU A 49 8.623 -4.300 -0.086 1.00 1.00 H new ATOM 0 HD11 LEU A 49 9.536 -6.289 1.020 1.00 1.00 H new ATOM 0 HD12 LEU A 49 9.297 -4.957 2.176 1.00 1.00 H new ATOM 0 HD13 LEU A 49 8.144 -6.311 2.129 1.00 1.00 H new ATOM 0 HD21 LEU A 49 8.025 -6.524 -0.941 1.00 1.00 H new ATOM 0 HD22 LEU A 49 6.612 -6.564 0.141 1.00 1.00 H new ATOM 0 HD23 LEU A 49 6.695 -5.364 -1.170 1.00 1.00 H new ATOM 753 N PHE A 50 3.819 -3.094 1.010 1.00 1.00 N ATOM 754 CA PHE A 50 2.675 -2.674 1.782 1.00 1.00 C ATOM 755 C PHE A 50 1.862 -3.905 2.124 1.00 1.00 C ATOM 756 O PHE A 50 1.870 -4.880 1.350 1.00 1.00 O ATOM 757 CB PHE A 50 1.830 -1.648 1.026 1.00 1.00 C ATOM 758 CG PHE A 50 1.161 -2.188 -0.200 1.00 1.00 C ATOM 759 CD1 PHE A 50 -0.081 -2.796 -0.153 1.00 1.00 C ATOM 760 CD2 PHE A 50 1.747 -2.032 -1.436 1.00 1.00 C ATOM 761 CE1 PHE A 50 -0.687 -3.254 -1.307 1.00 1.00 C ATOM 762 CE2 PHE A 50 1.138 -2.488 -2.575 1.00 1.00 C ATOM 763 CZ PHE A 50 -0.076 -3.096 -2.521 1.00 1.00 C ATOM 0 H PHE A 50 3.627 -3.823 0.323 1.00 1.00 H new ATOM 0 HA PHE A 50 3.012 -2.182 2.695 1.00 1.00 H new ATOM 0 HB2 PHE A 50 1.068 -1.255 1.699 1.00 1.00 H new ATOM 0 HB3 PHE A 50 2.466 -0.810 0.740 1.00 1.00 H new ATOM 0 HD1 PHE A 50 -0.582 -2.914 0.796 1.00 1.00 H new ATOM 0 HD2 PHE A 50 2.706 -1.540 -1.509 1.00 1.00 H new ATOM 0 HE1 PHE A 50 -1.650 -3.740 -1.250 1.00 1.00 H new ATOM 0 HE2 PHE A 50 1.629 -2.363 -3.529 1.00 1.00 H new ATOM 0 HZ PHE A 50 -0.552 -3.450 -3.424 1.00 1.00 H new ATOM 773 N PRO A 51 1.175 -3.899 3.267 1.00 1.00 N ATOM 774 CA PRO A 51 0.386 -5.067 3.652 1.00 1.00 C ATOM 775 C PRO A 51 -0.946 -5.014 2.938 1.00 1.00 C ATOM 776 O PRO A 51 -1.608 -3.987 2.850 1.00 1.00 O ATOM 777 CB PRO A 51 0.239 -4.911 5.178 1.00 1.00 C ATOM 778 CG PRO A 51 0.320 -3.460 5.450 1.00 1.00 C ATOM 779 CD PRO A 51 1.131 -2.852 4.305 1.00 1.00 C ATOM 0 HA PRO A 51 0.833 -6.026 3.391 1.00 1.00 H new ATOM 0 HB2 PRO A 51 -0.711 -5.320 5.522 1.00 1.00 H new ATOM 0 HB3 PRO A 51 1.027 -5.451 5.703 1.00 1.00 H new ATOM 0 HG2 PRO A 51 -0.675 -3.018 5.499 1.00 1.00 H new ATOM 0 HG3 PRO A 51 0.801 -3.271 6.410 1.00 1.00 H new ATOM 0 HD2 PRO A 51 0.661 -1.943 3.929 1.00 1.00 H new ATOM 0 HD3 PRO A 51 2.134 -2.580 4.633 1.00 1.00 H new ATOM 787 N SER A 52 -1.345 -6.150 2.375 1.00 1.00 N ATOM 788 CA SER A 52 -2.577 -6.207 1.603 1.00 1.00 C ATOM 789 C SER A 52 -3.838 -5.926 2.413 1.00 1.00 C ATOM 790 O SER A 52 -4.759 -5.262 1.924 1.00 1.00 O ATOM 791 CB SER A 52 -2.682 -7.565 0.931 1.00 1.00 C ATOM 792 OG SER A 52 -1.541 -7.788 0.146 1.00 1.00 O ATOM 0 H SER A 52 -0.839 -7.033 2.438 1.00 1.00 H new ATOM 0 HA SER A 52 -2.518 -5.407 0.865 1.00 1.00 H new ATOM 0 HB2 SER A 52 -2.778 -8.348 1.683 1.00 1.00 H new ATOM 0 HB3 SER A 52 -3.577 -7.607 0.311 1.00 1.00 H new ATOM 0 HG SER A 52 -1.730 -7.542 -0.783 1.00 1.00 H new ATOM 798 N ASN A 53 -3.903 -6.396 3.655 1.00 1.00 N ATOM 799 CA ASN A 53 -5.092 -6.157 4.454 1.00 1.00 C ATOM 800 C ASN A 53 -5.370 -4.662 4.709 1.00 1.00 C ATOM 801 O ASN A 53 -6.421 -4.298 5.215 1.00 1.00 O ATOM 802 CB ASN A 53 -5.033 -6.967 5.786 1.00 1.00 C ATOM 803 CG ASN A 53 -3.672 -6.767 6.577 1.00 1.00 C ATOM 804 OD1 ASN A 53 -2.634 -6.608 5.971 1.00 1.00 O ATOM 805 ND2 ASN A 53 -3.718 -6.769 7.917 1.00 1.00 N ATOM 0 H ASN A 53 -3.167 -6.930 4.117 1.00 1.00 H new ATOM 0 HA ASN A 53 -5.938 -6.515 3.867 1.00 1.00 H new ATOM 0 HB2 ASN A 53 -5.864 -6.667 6.424 1.00 1.00 H new ATOM 0 HB3 ASN A 53 -5.166 -8.026 5.566 1.00 1.00 H new ATOM 0 HD21 ASN A 53 -2.863 -6.634 8.457 1.00 1.00 H new ATOM 0 HD22 ASN A 53 -4.608 -6.905 8.397 1.00 1.00 H new ATOM 812 N TYR A 54 -4.454 -3.766 4.352 1.00 1.00 N ATOM 813 CA TYR A 54 -4.696 -2.340 4.550 1.00 1.00 C ATOM 814 C TYR A 54 -5.268 -1.643 3.313 1.00 1.00 C ATOM 815 O TYR A 54 -5.481 -0.441 3.364 1.00 1.00 O ATOM 816 CB TYR A 54 -3.440 -1.595 5.024 1.00 1.00 C ATOM 817 CG TYR A 54 -3.144 -1.814 6.475 1.00 1.00 C ATOM 818 CD1 TYR A 54 -2.738 -3.038 6.930 1.00 1.00 C ATOM 819 CD2 TYR A 54 -3.261 -0.782 7.399 1.00 1.00 C ATOM 820 CE1 TYR A 54 -2.444 -3.243 8.259 1.00 1.00 C ATOM 821 CE2 TYR A 54 -2.968 -0.981 8.732 1.00 1.00 C ATOM 822 CZ TYR A 54 -2.558 -2.207 9.155 1.00 1.00 C ATOM 823 OH TYR A 54 -2.243 -2.432 10.483 1.00 1.00 O ATOM 0 H TYR A 54 -3.553 -3.995 3.932 1.00 1.00 H new ATOM 0 HA TYR A 54 -5.451 -2.295 5.335 1.00 1.00 H new ATOM 0 HB2 TYR A 54 -2.585 -1.921 4.431 1.00 1.00 H new ATOM 0 HB3 TYR A 54 -3.566 -0.528 4.841 1.00 1.00 H new ATOM 0 HD1 TYR A 54 -2.646 -3.859 6.234 1.00 1.00 H new ATOM 0 HD2 TYR A 54 -3.587 0.193 7.067 1.00 1.00 H new ATOM 0 HE1 TYR A 54 -2.124 -4.217 8.598 1.00 1.00 H new ATOM 0 HE2 TYR A 54 -3.064 -0.168 9.436 1.00 1.00 H new ATOM 0 HH TYR A 54 -2.371 -1.606 10.994 1.00 1.00 H new ATOM 833 N VAL A 55 -5.480 -2.362 2.216 1.00 1.00 N ATOM 834 CA VAL A 55 -5.982 -1.751 0.984 1.00 1.00 C ATOM 835 C VAL A 55 -7.039 -2.612 0.321 1.00 1.00 C ATOM 836 O VAL A 55 -7.117 -3.820 0.540 1.00 1.00 O ATOM 837 CB VAL A 55 -4.838 -1.484 -0.053 1.00 1.00 C ATOM 838 CG1 VAL A 55 -3.810 -0.496 0.489 1.00 1.00 C ATOM 839 CG2 VAL A 55 -4.163 -2.764 -0.448 1.00 1.00 C ATOM 0 H VAL A 55 -5.313 -3.366 2.152 1.00 1.00 H new ATOM 0 HA VAL A 55 -6.421 -0.800 1.285 1.00 1.00 H new ATOM 0 HB VAL A 55 -5.300 -1.043 -0.937 1.00 1.00 H new ATOM 0 HG11 VAL A 55 -3.032 -0.335 -0.257 1.00 1.00 H new ATOM 0 HG12 VAL A 55 -4.299 0.452 0.713 1.00 1.00 H new ATOM 0 HG13 VAL A 55 -3.363 -0.898 1.398 1.00 1.00 H new ATOM 0 HG21 VAL A 55 -3.373 -2.552 -1.168 1.00 1.00 H new ATOM 0 HG22 VAL A 55 -3.732 -3.235 0.435 1.00 1.00 H new ATOM 0 HG23 VAL A 55 -4.893 -3.437 -0.898 1.00 1.00 H new ATOM 849 N SER A 56 -7.840 -1.979 -0.519 1.00 1.00 N ATOM 850 CA SER A 56 -8.867 -2.632 -1.302 1.00 1.00 C ATOM 851 C SER A 56 -8.699 -2.219 -2.767 1.00 1.00 C ATOM 852 O SER A 56 -8.565 -1.042 -3.028 1.00 1.00 O ATOM 853 CB SER A 56 -10.224 -2.199 -0.785 1.00 1.00 C ATOM 854 OG SER A 56 -11.234 -2.723 -1.598 1.00 1.00 O ATOM 0 H SER A 56 -7.790 -0.973 -0.677 1.00 1.00 H new ATOM 0 HA SER A 56 -8.785 -3.716 -1.222 1.00 1.00 H new ATOM 0 HB2 SER A 56 -10.358 -2.541 0.241 1.00 1.00 H new ATOM 0 HB3 SER A 56 -10.286 -1.111 -0.769 1.00 1.00 H new ATOM 0 HG SER A 56 -12.108 -2.440 -1.257 1.00 1.00 H new ATOM 860 N LEU A 57 -8.668 -3.180 -3.685 1.00 1.00 N ATOM 861 CA LEU A 57 -8.455 -2.832 -5.101 1.00 1.00 C ATOM 862 C LEU A 57 -9.542 -1.885 -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 -5.993 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 -8.782 -4.175 -3.493 1.00 1.00 H new ATOM 0 HA LEU A 57 -7.492 -2.324 -5.155 1.00 1.00 H new ATOM 0 HB2 LEU A 57 -9.340 -4.565 -5.974 1.00 1.00 H new ATOM 0 HB3 LEU A 57 -8.205 -3.732 -7.019 1.00 1.00 H new ATOM 0 HG LEU A 57 -7.595 -5.525 -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 -6.870 1.00 1.00 H new ATOM 0 HD13 LEU A 57 -6.917 -5.591 -7.676 1.00 1.00 H new ATOM 0 HD21 LEU A 57 -5.233 -5.222 -5.138 1.00 1.00 H new ATOM 0 HD22 LEU A 57 -5.628 -3.938 -6.305 1.00 1.00 H new ATOM 0 HD23 LEU A 57 -6.018 -3.726 -4.582 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 -10.581 1.045 -6.054 1.00 1.00 C ATOM 882 O GLY A 58 -10.014 1.230 -4.960 1.00 1.00 O ATOM 0 H GLY A 58 -8.157 -0.805 -6.709 1.00 1.00 H new ATOM 0 HA2 GLY A 58 -9.565 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 2.258 -4.620 1.00 1.00 C ATOM 889 O ASN A 59 -14.005 3.061 -4.085 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 -12.391 5.200 -6.565 1.00 1.00 C ATOM 892 OD1 ASN A 59 -11.872 5.643 -5.544 1.00 1.00 O ATOM 893 ND2 ASN A 59 -12.456 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 3.340 -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 3.860 -6.345 1.00 1.00 H new ATOM 0 HD21 ASN A 59 -12.066 6.844 -7.728 1.00 1.00 H new ATOM 0 HD22 ASN A 59 -12.895 5.499 -8.519 1.00 1.00 H new