USER MOD reduce.3.24.130724 H: found=0, std=0, add=477, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 479 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 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.481 USER MOD Single : A 30 GLN : amide:sc= -0.0517 X(o=-0.052,f=-0.08) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot -150:sc= 0.00668 USER MOD Single : A 43 THR OG1 : rot 36:sc= 0.0258 USER MOD Single : A 47 ASN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 59:sc= -0.19 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 180:sc= -0.123 USER MOD Single : A 73 THR OG1 : rot 45:sc= 0.045 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -0.285 K(o=-0.29,f=-4.3!) USER MOD Single : A 89 TYR OH : rot -58:sc= 0.987 USER MOD Single : A 90 LYS NZ :NH3+ 179:sc= 1.05 (180deg=1.05) USER MOD ----------------------------------------------------------------- ATOM 19 N ALA A 22 1.725 -1.759 -3.414 1.00 0.00 N ATOM 20 CA ALA A 22 1.843 -3.008 -4.205 1.00 0.00 C ATOM 21 C ALA A 22 2.757 -2.778 -5.429 1.00 0.00 C ATOM 22 O ALA A 22 2.935 -1.632 -5.870 1.00 0.00 O ATOM 23 CB ALA A 22 0.451 -3.511 -4.639 1.00 0.00 C ATOM 0 HA ALA A 22 2.295 -3.778 -3.579 1.00 0.00 H new ATOM 0 HB1 ALA A 22 0.560 -4.428 -5.218 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -0.156 -3.709 -3.756 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -0.036 -2.751 -5.251 1.00 0.00 H new ATOM 29 N ALA A 23 3.335 -3.877 -5.963 1.00 0.00 N ATOM 30 CA ALA A 23 4.231 -3.828 -7.135 1.00 0.00 C ATOM 31 C ALA A 23 3.440 -3.469 -8.404 1.00 0.00 C ATOM 32 O ALA A 23 2.289 -3.898 -8.559 1.00 0.00 O ATOM 33 CB ALA A 23 4.957 -5.170 -7.314 1.00 0.00 C ATOM 0 H ALA A 23 3.193 -4.817 -5.594 1.00 0.00 H new ATOM 0 HA ALA A 23 4.978 -3.053 -6.965 1.00 0.00 H new ATOM 0 HB1 ALA A 23 5.613 -5.116 -8.183 1.00 0.00 H new ATOM 0 HB2 ALA A 23 5.549 -5.385 -6.425 1.00 0.00 H new ATOM 0 HB3 ALA A 23 4.224 -5.963 -7.462 1.00 0.00 H new ATOM 39 N THR A 24 4.060 -2.673 -9.290 1.00 0.00 N ATOM 40 CA THR A 24 3.434 -2.231 -10.544 1.00 0.00 C ATOM 41 C THR A 24 3.255 -3.426 -11.496 1.00 0.00 C ATOM 42 O THR A 24 4.221 -4.135 -11.781 1.00 0.00 O ATOM 43 CB THR A 24 4.304 -1.128 -11.239 1.00 0.00 C ATOM 44 OG1 THR A 24 4.518 -0.033 -10.328 1.00 0.00 O ATOM 45 CG2 THR A 24 3.672 -0.593 -12.541 1.00 0.00 C ATOM 0 H THR A 24 5.007 -2.319 -9.157 1.00 0.00 H new ATOM 0 HA THR A 24 2.457 -1.809 -10.308 1.00 0.00 H new ATOM 0 HB THR A 24 5.251 -1.596 -11.508 1.00 0.00 H new ATOM 0 HG1 THR A 24 5.064 0.654 -10.765 1.00 0.00 H new ATOM 0 HG21 THR A 24 4.321 0.167 -12.975 1.00 0.00 H new ATOM 0 HG22 THR A 24 3.549 -1.412 -13.249 1.00 0.00 H new ATOM 0 HG23 THR A 24 2.698 -0.156 -12.320 1.00 0.00 H new ATOM 53 N GLU A 25 2.019 -3.663 -11.958 1.00 0.00 N ATOM 54 CA GLU A 25 1.752 -4.697 -12.966 1.00 0.00 C ATOM 55 C GLU A 25 2.405 -4.284 -14.292 1.00 0.00 C ATOM 56 O GLU A 25 2.212 -3.158 -14.763 1.00 0.00 O ATOM 57 CB GLU A 25 0.239 -4.932 -13.147 1.00 0.00 C ATOM 58 CG GLU A 25 -0.118 -6.058 -14.140 1.00 0.00 C ATOM 59 CD GLU A 25 -1.632 -6.237 -14.321 1.00 0.00 C ATOM 60 OE1 GLU A 25 -2.222 -5.546 -15.172 1.00 0.00 O ATOM 61 OE2 GLU A 25 -2.235 -7.061 -13.605 1.00 0.00 O ATOM 0 H GLU A 25 1.191 -3.154 -11.650 1.00 0.00 H new ATOM 0 HA GLU A 25 2.182 -5.640 -12.627 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -0.198 -5.168 -12.177 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -0.222 -4.005 -13.487 1.00 0.00 H new ATOM 0 HG2 GLU A 25 0.335 -5.840 -15.107 1.00 0.00 H new ATOM 0 HG3 GLU A 25 0.314 -6.995 -13.790 1.00 0.00 H new ATOM 68 N LEU A 26 3.192 -5.195 -14.856 1.00 0.00 N ATOM 69 CA LEU A 26 4.014 -4.943 -16.043 1.00 0.00 C ATOM 70 C LEU A 26 3.317 -5.550 -17.273 1.00 0.00 C ATOM 71 O LEU A 26 2.734 -6.631 -17.179 1.00 0.00 O ATOM 72 CB LEU A 26 5.426 -5.558 -15.823 1.00 0.00 C ATOM 73 CG LEU A 26 6.551 -5.062 -16.773 1.00 0.00 C ATOM 74 CD1 LEU A 26 6.795 -3.543 -16.597 1.00 0.00 C ATOM 75 CD2 LEU A 26 7.852 -5.865 -16.550 1.00 0.00 C ATOM 0 H LEU A 26 3.281 -6.146 -14.498 1.00 0.00 H new ATOM 0 HA LEU A 26 4.132 -3.873 -16.212 1.00 0.00 H new ATOM 0 HB2 LEU A 26 5.731 -5.355 -14.797 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.347 -6.640 -15.923 1.00 0.00 H new ATOM 0 HG LEU A 26 6.226 -5.230 -17.800 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.587 -3.221 -17.273 1.00 0.00 H new ATOM 0 HD12 LEU A 26 5.879 -2.998 -16.826 1.00 0.00 H new ATOM 0 HD13 LEU A 26 7.091 -3.339 -15.568 1.00 0.00 H new ATOM 0 HD21 LEU A 26 8.625 -5.500 -17.226 1.00 0.00 H new ATOM 0 HD22 LEU A 26 8.184 -5.742 -15.519 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.666 -6.921 -16.747 1.00 0.00 H new ATOM 87 N THR A 27 3.358 -4.838 -18.410 1.00 0.00 N ATOM 88 CA THR A 27 2.743 -5.288 -19.668 1.00 0.00 C ATOM 89 C THR A 27 3.652 -6.319 -20.390 1.00 0.00 C ATOM 90 O THR A 27 4.868 -6.289 -20.190 1.00 0.00 O ATOM 91 CB THR A 27 2.438 -4.056 -20.593 1.00 0.00 C ATOM 92 OG1 THR A 27 3.601 -3.216 -20.698 1.00 0.00 O ATOM 93 CG2 THR A 27 1.236 -3.237 -20.071 1.00 0.00 C ATOM 0 H THR A 27 3.820 -3.932 -18.483 1.00 0.00 H new ATOM 0 HA THR A 27 1.801 -5.784 -19.437 1.00 0.00 H new ATOM 0 HB THR A 27 2.178 -4.437 -21.581 1.00 0.00 H new ATOM 0 HG1 THR A 27 3.401 -2.452 -21.278 1.00 0.00 H new ATOM 0 HG21 THR A 27 1.055 -2.393 -20.736 1.00 0.00 H new ATOM 0 HG22 THR A 27 0.350 -3.871 -20.039 1.00 0.00 H new ATOM 0 HG23 THR A 27 1.454 -2.869 -19.069 1.00 0.00 H new ATOM 101 N PRO A 28 3.057 -7.248 -21.234 1.00 0.00 N ATOM 102 CA PRO A 28 3.802 -8.327 -21.952 1.00 0.00 C ATOM 103 C PRO A 28 5.040 -7.831 -22.727 1.00 0.00 C ATOM 104 O PRO A 28 6.077 -8.506 -22.757 1.00 0.00 O ATOM 105 CB PRO A 28 2.746 -8.896 -22.933 1.00 0.00 C ATOM 106 CG PRO A 28 1.426 -8.624 -22.281 1.00 0.00 C ATOM 107 CD PRO A 28 1.598 -7.322 -21.528 1.00 0.00 C ATOM 0 HA PRO A 28 4.207 -9.054 -21.248 1.00 0.00 H new ATOM 0 HB2 PRO A 28 2.812 -8.413 -23.908 1.00 0.00 H new ATOM 0 HB3 PRO A 28 2.893 -9.964 -23.096 1.00 0.00 H new ATOM 0 HG2 PRO A 28 0.632 -8.544 -23.024 1.00 0.00 H new ATOM 0 HG3 PRO A 28 1.150 -9.433 -21.605 1.00 0.00 H new ATOM 0 HD2 PRO A 28 1.271 -6.472 -22.126 1.00 0.00 H new ATOM 0 HD3 PRO A 28 1.008 -7.313 -20.612 1.00 0.00 H new ATOM 115 N GLU A 29 4.898 -6.649 -23.355 1.00 0.00 N ATOM 116 CA GLU A 29 5.963 -6.010 -24.151 1.00 0.00 C ATOM 117 C GLU A 29 7.195 -5.725 -23.275 1.00 0.00 C ATOM 118 O GLU A 29 8.318 -6.138 -23.601 1.00 0.00 O ATOM 119 CB GLU A 29 5.440 -4.688 -24.782 1.00 0.00 C ATOM 120 CG GLU A 29 6.448 -3.961 -25.699 1.00 0.00 C ATOM 121 CD GLU A 29 6.860 -4.791 -26.928 1.00 0.00 C ATOM 122 OE1 GLU A 29 6.041 -4.938 -27.857 1.00 0.00 O ATOM 123 OE2 GLU A 29 7.997 -5.310 -26.967 1.00 0.00 O ATOM 0 H GLU A 29 4.035 -6.106 -23.324 1.00 0.00 H new ATOM 0 HA GLU A 29 6.255 -6.693 -24.949 1.00 0.00 H new ATOM 0 HB2 GLU A 29 4.541 -4.908 -25.358 1.00 0.00 H new ATOM 0 HB3 GLU A 29 5.147 -4.011 -23.980 1.00 0.00 H new ATOM 0 HG2 GLU A 29 6.011 -3.020 -26.034 1.00 0.00 H new ATOM 0 HG3 GLU A 29 7.339 -3.711 -25.123 1.00 0.00 H new ATOM 130 N GLN A 30 6.955 -5.040 -22.144 1.00 0.00 N ATOM 131 CA GLN A 30 8.019 -4.631 -21.216 1.00 0.00 C ATOM 132 C GLN A 30 8.610 -5.858 -20.497 1.00 0.00 C ATOM 133 O GLN A 30 9.812 -5.930 -20.268 1.00 0.00 O ATOM 134 CB GLN A 30 7.486 -3.604 -20.182 1.00 0.00 C ATOM 135 CG GLN A 30 6.799 -2.358 -20.779 1.00 0.00 C ATOM 136 CD GLN A 30 7.603 -1.700 -21.898 1.00 0.00 C ATOM 137 OE1 GLN A 30 7.398 -1.988 -23.077 1.00 0.00 O ATOM 138 NE2 GLN A 30 8.549 -0.851 -21.536 1.00 0.00 N ATOM 0 H GLN A 30 6.021 -4.756 -21.850 1.00 0.00 H new ATOM 0 HA GLN A 30 8.809 -4.154 -21.796 1.00 0.00 H new ATOM 0 HB2 GLN A 30 6.777 -4.109 -19.526 1.00 0.00 H new ATOM 0 HB3 GLN A 30 8.318 -3.276 -19.559 1.00 0.00 H new ATOM 0 HG2 GLN A 30 5.819 -2.642 -21.164 1.00 0.00 H new ATOM 0 HG3 GLN A 30 6.631 -1.630 -19.986 1.00 0.00 H new ATOM 0 HE21 GLN A 30 8.691 -0.636 -20.549 1.00 0.00 H new ATOM 0 HE22 GLN A 30 9.137 -0.411 -22.244 1.00 0.00 H new ATOM 147 N ALA A 31 7.734 -6.827 -20.188 1.00 0.00 N ATOM 148 CA ALA A 31 8.095 -8.070 -19.484 1.00 0.00 C ATOM 149 C ALA A 31 9.065 -8.922 -20.317 1.00 0.00 C ATOM 150 O ALA A 31 10.007 -9.502 -19.782 1.00 0.00 O ATOM 151 CB ALA A 31 6.823 -8.858 -19.127 1.00 0.00 C ATOM 0 H ALA A 31 6.743 -6.770 -20.422 1.00 0.00 H new ATOM 0 HA ALA A 31 8.611 -7.808 -18.560 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.097 -9.776 -18.607 1.00 0.00 H new ATOM 0 HB2 ALA A 31 6.188 -8.251 -18.482 1.00 0.00 H new ATOM 0 HB3 ALA A 31 6.281 -9.106 -20.039 1.00 0.00 H new ATOM 157 N ALA A 32 8.840 -8.954 -21.640 1.00 0.00 N ATOM 158 CA ALA A 32 9.690 -9.706 -22.581 1.00 0.00 C ATOM 159 C ALA A 32 11.056 -9.018 -22.783 1.00 0.00 C ATOM 160 O ALA A 32 12.057 -9.689 -23.041 1.00 0.00 O ATOM 161 CB ALA A 32 8.964 -9.879 -23.918 1.00 0.00 C ATOM 0 H ALA A 32 8.067 -8.462 -22.088 1.00 0.00 H new ATOM 0 HA ALA A 32 9.883 -10.690 -22.154 1.00 0.00 H new ATOM 0 HB1 ALA A 32 9.599 -10.436 -24.607 1.00 0.00 H new ATOM 0 HB2 ALA A 32 8.034 -10.426 -23.759 1.00 0.00 H new ATOM 0 HB3 ALA A 32 8.741 -8.899 -24.340 1.00 0.00 H new ATOM 167 N ALA A 33 11.078 -7.676 -22.665 1.00 0.00 N ATOM 168 CA ALA A 33 12.305 -6.868 -22.835 1.00 0.00 C ATOM 169 C ALA A 33 13.198 -6.926 -21.585 1.00 0.00 C ATOM 170 O ALA A 33 14.431 -6.938 -21.684 1.00 0.00 O ATOM 171 CB ALA A 33 11.927 -5.418 -23.151 1.00 0.00 C ATOM 0 H ALA A 33 10.249 -7.122 -22.450 1.00 0.00 H new ATOM 0 HA ALA A 33 12.875 -7.285 -23.665 1.00 0.00 H new ATOM 0 HB1 ALA A 33 12.833 -4.825 -23.276 1.00 0.00 H new ATOM 0 HB2 ALA A 33 11.343 -5.386 -24.071 1.00 0.00 H new ATOM 0 HB3 ALA A 33 11.336 -5.009 -22.332 1.00 0.00 H new ATOM 177 N LEU A 34 12.552 -6.948 -20.414 1.00 0.00 N ATOM 178 CA LEU A 34 13.229 -6.992 -19.111 1.00 0.00 C ATOM 179 C LEU A 34 13.465 -8.454 -18.686 1.00 0.00 C ATOM 180 O LEU A 34 12.851 -9.378 -19.232 1.00 0.00 O ATOM 181 CB LEU A 34 12.380 -6.239 -18.054 1.00 0.00 C ATOM 182 CG LEU A 34 12.051 -4.743 -18.364 1.00 0.00 C ATOM 183 CD1 LEU A 34 11.132 -4.144 -17.285 1.00 0.00 C ATOM 184 CD2 LEU A 34 13.334 -3.899 -18.544 1.00 0.00 C ATOM 0 H LEU A 34 11.535 -6.936 -20.342 1.00 0.00 H new ATOM 0 HA LEU A 34 14.199 -6.501 -19.191 1.00 0.00 H new ATOM 0 HB2 LEU A 34 11.440 -6.776 -17.925 1.00 0.00 H new ATOM 0 HB3 LEU A 34 12.905 -6.283 -17.100 1.00 0.00 H new ATOM 0 HG LEU A 34 11.514 -4.716 -19.312 1.00 0.00 H new ATOM 0 HD11 LEU A 34 10.919 -3.102 -17.526 1.00 0.00 H new ATOM 0 HD12 LEU A 34 10.199 -4.706 -17.249 1.00 0.00 H new ATOM 0 HD13 LEU A 34 11.626 -4.199 -16.315 1.00 0.00 H new ATOM 0 HD21 LEU A 34 13.062 -2.865 -18.758 1.00 0.00 H new ATOM 0 HD22 LEU A 34 13.926 -3.937 -17.629 1.00 0.00 H new ATOM 0 HD23 LEU A 34 13.920 -4.299 -19.372 1.00 0.00 H new ATOM 196 N LYS A 35 14.361 -8.654 -17.711 1.00 0.00 N ATOM 197 CA LYS A 35 14.686 -9.982 -17.162 1.00 0.00 C ATOM 198 C LYS A 35 14.371 -9.994 -15.646 1.00 0.00 C ATOM 199 O LYS A 35 14.872 -9.131 -14.919 1.00 0.00 O ATOM 200 CB LYS A 35 16.183 -10.315 -17.431 1.00 0.00 C ATOM 201 CG LYS A 35 16.631 -11.699 -16.908 1.00 0.00 C ATOM 202 CD LYS A 35 18.091 -12.039 -17.274 1.00 0.00 C ATOM 203 CE LYS A 35 18.524 -13.406 -16.727 1.00 0.00 C ATOM 204 NZ LYS A 35 19.912 -13.761 -17.118 1.00 0.00 N ATOM 0 H LYS A 35 14.886 -7.895 -17.276 1.00 0.00 H new ATOM 0 HA LYS A 35 14.081 -10.747 -17.650 1.00 0.00 H new ATOM 0 HB2 LYS A 35 16.366 -10.269 -18.505 1.00 0.00 H new ATOM 0 HB3 LYS A 35 16.803 -9.547 -16.968 1.00 0.00 H new ATOM 0 HG2 LYS A 35 16.519 -11.725 -15.824 1.00 0.00 H new ATOM 0 HG3 LYS A 35 15.972 -12.466 -17.316 1.00 0.00 H new ATOM 0 HD2 LYS A 35 18.203 -12.032 -18.358 1.00 0.00 H new ATOM 0 HD3 LYS A 35 18.752 -11.267 -16.880 1.00 0.00 H new ATOM 0 HE2 LYS A 35 18.447 -13.400 -15.640 1.00 0.00 H new ATOM 0 HE3 LYS A 35 17.840 -14.173 -17.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 20.156 -14.692 -16.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 19.983 -13.794 -18.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 20.570 -13.046 -16.749 1.00 0.00 H new ATOM 218 N PRO A 36 13.521 -10.957 -15.144 1.00 0.00 N ATOM 219 CA PRO A 36 13.164 -11.038 -13.707 1.00 0.00 C ATOM 220 C PRO A 36 14.327 -11.583 -12.854 1.00 0.00 C ATOM 221 O PRO A 36 15.183 -12.330 -13.356 1.00 0.00 O ATOM 222 CB PRO A 36 11.958 -12.009 -13.709 1.00 0.00 C ATOM 223 CG PRO A 36 12.242 -12.926 -14.853 1.00 0.00 C ATOM 224 CD PRO A 36 12.864 -12.047 -15.922 1.00 0.00 C ATOM 0 HA PRO A 36 12.937 -10.066 -13.269 1.00 0.00 H new ATOM 0 HB2 PRO A 36 11.882 -12.554 -12.768 1.00 0.00 H new ATOM 0 HB3 PRO A 36 11.016 -11.477 -13.846 1.00 0.00 H new ATOM 0 HG2 PRO A 36 12.920 -13.726 -14.557 1.00 0.00 H new ATOM 0 HG3 PRO A 36 11.329 -13.399 -15.214 1.00 0.00 H new ATOM 0 HD2 PRO A 36 13.585 -12.599 -16.525 1.00 0.00 H new ATOM 0 HD3 PRO A 36 12.111 -11.654 -16.605 1.00 0.00 H new ATOM 232 N TYR A 37 14.353 -11.196 -11.568 1.00 0.00 N ATOM 233 CA TYR A 37 15.385 -11.654 -10.619 1.00 0.00 C ATOM 234 C TYR A 37 14.910 -12.908 -9.854 1.00 0.00 C ATOM 235 O TYR A 37 15.725 -13.716 -9.396 1.00 0.00 O ATOM 236 CB TYR A 37 15.787 -10.508 -9.642 1.00 0.00 C ATOM 237 CG TYR A 37 14.679 -9.994 -8.691 1.00 0.00 C ATOM 238 CD1 TYR A 37 13.820 -8.954 -9.063 1.00 0.00 C ATOM 239 CD2 TYR A 37 14.517 -10.535 -7.407 1.00 0.00 C ATOM 240 CE1 TYR A 37 12.848 -8.482 -8.195 1.00 0.00 C ATOM 241 CE2 TYR A 37 13.545 -10.067 -6.548 1.00 0.00 C ATOM 242 CZ TYR A 37 12.718 -9.044 -6.942 1.00 0.00 C ATOM 243 OH TYR A 37 11.758 -8.576 -6.073 1.00 0.00 O ATOM 0 H TYR A 37 13.667 -10.563 -11.158 1.00 0.00 H new ATOM 0 HA TYR A 37 16.273 -11.931 -11.187 1.00 0.00 H new ATOM 0 HB2 TYR A 37 16.624 -10.854 -9.036 1.00 0.00 H new ATOM 0 HB3 TYR A 37 16.148 -9.666 -10.233 1.00 0.00 H new ATOM 0 HD1 TYR A 37 13.916 -8.511 -10.043 1.00 0.00 H new ATOM 0 HD2 TYR A 37 15.167 -11.335 -7.084 1.00 0.00 H new ATOM 0 HE1 TYR A 37 12.195 -7.677 -8.499 1.00 0.00 H new ATOM 0 HE2 TYR A 37 13.434 -10.504 -5.567 1.00 0.00 H new ATOM 0 HH TYR A 37 12.069 -8.689 -5.150 1.00 0.00 H new ATOM 253 N ASP A 38 13.581 -13.059 -9.742 1.00 0.00 N ATOM 254 CA ASP A 38 12.939 -14.172 -9.022 1.00 0.00 C ATOM 255 C ASP A 38 11.542 -14.417 -9.626 1.00 0.00 C ATOM 256 O ASP A 38 11.069 -13.619 -10.446 1.00 0.00 O ATOM 257 CB ASP A 38 12.857 -13.849 -7.494 1.00 0.00 C ATOM 258 CG ASP A 38 12.405 -15.043 -6.627 1.00 0.00 C ATOM 259 OD1 ASP A 38 13.197 -15.999 -6.469 1.00 0.00 O ATOM 260 OD2 ASP A 38 11.257 -15.049 -6.129 1.00 0.00 O ATOM 0 H ASP A 38 12.914 -12.405 -10.153 1.00 0.00 H new ATOM 0 HA ASP A 38 13.531 -15.081 -9.131 1.00 0.00 H new ATOM 0 HB2 ASP A 38 13.835 -13.513 -7.151 1.00 0.00 H new ATOM 0 HB3 ASP A 38 12.164 -13.021 -7.344 1.00 0.00 H new ATOM 265 N ARG A 39 10.909 -15.547 -9.262 1.00 0.00 N ATOM 266 CA ARG A 39 9.547 -15.905 -9.699 1.00 0.00 C ATOM 267 C ARG A 39 8.750 -16.373 -8.476 1.00 0.00 C ATOM 268 O ARG A 39 9.206 -17.261 -7.743 1.00 0.00 O ATOM 269 CB ARG A 39 9.581 -17.027 -10.783 1.00 0.00 C ATOM 270 CG ARG A 39 10.554 -16.758 -11.954 1.00 0.00 C ATOM 271 CD ARG A 39 10.458 -17.798 -13.088 1.00 0.00 C ATOM 272 NE ARG A 39 9.199 -17.670 -13.848 1.00 0.00 N ATOM 273 CZ ARG A 39 8.245 -18.609 -13.960 1.00 0.00 C ATOM 274 NH1 ARG A 39 8.310 -19.750 -13.289 1.00 0.00 N ATOM 275 NH2 ARG A 39 7.200 -18.376 -14.725 1.00 0.00 N ATOM 0 H ARG A 39 11.333 -16.244 -8.650 1.00 0.00 H new ATOM 0 HA ARG A 39 9.071 -15.032 -10.145 1.00 0.00 H new ATOM 0 HB2 ARG A 39 9.858 -17.967 -10.306 1.00 0.00 H new ATOM 0 HB3 ARG A 39 8.576 -17.157 -11.185 1.00 0.00 H new ATOM 0 HG2 ARG A 39 10.352 -15.768 -12.363 1.00 0.00 H new ATOM 0 HG3 ARG A 39 11.575 -16.743 -11.571 1.00 0.00 H new ATOM 0 HD2 ARG A 39 11.304 -17.677 -13.764 1.00 0.00 H new ATOM 0 HD3 ARG A 39 10.528 -18.801 -12.667 1.00 0.00 H new ATOM 0 HE ARG A 39 9.039 -16.787 -14.333 1.00 0.00 H new ATOM 0 HH11 ARG A 39 9.099 -19.933 -12.669 1.00 0.00 H new ATOM 0 HH12 ARG A 39 7.571 -20.446 -13.393 1.00 0.00 H new ATOM 0 HH21 ARG A 39 7.121 -17.490 -15.225 1.00 0.00 H new ATOM 0 HH22 ARG A 39 6.469 -19.081 -14.818 1.00 0.00 H new ATOM 289 N ILE A 40 7.581 -15.761 -8.240 1.00 0.00 N ATOM 290 CA ILE A 40 6.676 -16.138 -7.135 1.00 0.00 C ATOM 291 C ILE A 40 5.469 -16.925 -7.676 1.00 0.00 C ATOM 292 O ILE A 40 5.149 -16.850 -8.868 1.00 0.00 O ATOM 293 CB ILE A 40 6.176 -14.875 -6.325 1.00 0.00 C ATOM 294 CG1 ILE A 40 5.322 -13.915 -7.214 1.00 0.00 C ATOM 295 CG2 ILE A 40 7.363 -14.117 -5.683 1.00 0.00 C ATOM 296 CD1 ILE A 40 4.803 -12.672 -6.516 1.00 0.00 C ATOM 0 H ILE A 40 7.232 -14.989 -8.808 1.00 0.00 H new ATOM 0 HA ILE A 40 7.244 -16.769 -6.451 1.00 0.00 H new ATOM 0 HB ILE A 40 5.532 -15.242 -5.525 1.00 0.00 H new ATOM 0 HG12 ILE A 40 5.924 -13.607 -8.069 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.472 -14.472 -7.608 1.00 0.00 H new ATOM 0 HG21 ILE A 40 6.989 -13.254 -5.133 1.00 0.00 H new ATOM 0 HG22 ILE A 40 7.892 -14.781 -5.000 1.00 0.00 H new ATOM 0 HG23 ILE A 40 8.045 -13.781 -6.464 1.00 0.00 H new ATOM 0 HD11 ILE A 40 4.224 -12.075 -7.220 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.168 -12.963 -5.679 1.00 0.00 H new ATOM 0 HD13 ILE A 40 5.643 -12.084 -6.147 1.00 0.00 H new ATOM 308 N VAL A 41 4.821 -17.685 -6.784 1.00 0.00 N ATOM 309 CA VAL A 41 3.587 -18.425 -7.086 1.00 0.00 C ATOM 310 C VAL A 41 2.692 -18.463 -5.834 1.00 0.00 C ATOM 311 O VAL A 41 3.182 -18.599 -4.706 1.00 0.00 O ATOM 312 CB VAL A 41 3.882 -19.889 -7.615 1.00 0.00 C ATOM 313 CG1 VAL A 41 4.729 -20.711 -6.609 1.00 0.00 C ATOM 314 CG2 VAL A 41 2.571 -20.637 -8.000 1.00 0.00 C ATOM 0 H VAL A 41 5.141 -17.805 -5.823 1.00 0.00 H new ATOM 0 HA VAL A 41 3.066 -17.903 -7.889 1.00 0.00 H new ATOM 0 HB VAL A 41 4.476 -19.783 -8.522 1.00 0.00 H new ATOM 0 HG11 VAL A 41 4.907 -21.708 -7.013 1.00 0.00 H new ATOM 0 HG12 VAL A 41 5.683 -20.211 -6.443 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.193 -20.793 -5.664 1.00 0.00 H new ATOM 0 HG21 VAL A 41 2.815 -21.637 -8.358 1.00 0.00 H new ATOM 0 HG22 VAL A 41 1.925 -20.712 -7.125 1.00 0.00 H new ATOM 0 HG23 VAL A 41 2.055 -20.086 -8.786 1.00 0.00 H new ATOM 324 N ILE A 42 1.381 -18.288 -6.051 1.00 0.00 N ATOM 325 CA ILE A 42 0.346 -18.409 -5.006 1.00 0.00 C ATOM 326 C ILE A 42 -0.723 -19.418 -5.473 1.00 0.00 C ATOM 327 O ILE A 42 -0.734 -19.822 -6.641 1.00 0.00 O ATOM 328 CB ILE A 42 -0.336 -17.020 -4.682 1.00 0.00 C ATOM 329 CG1 ILE A 42 -1.046 -16.441 -5.949 1.00 0.00 C ATOM 330 CG2 ILE A 42 0.697 -16.012 -4.108 1.00 0.00 C ATOM 331 CD1 ILE A 42 -1.885 -15.204 -5.699 1.00 0.00 C ATOM 0 H ILE A 42 1.001 -18.055 -6.969 1.00 0.00 H new ATOM 0 HA ILE A 42 0.826 -18.757 -4.091 1.00 0.00 H new ATOM 0 HB ILE A 42 -1.096 -17.186 -3.918 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -0.288 -16.204 -6.696 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -1.684 -17.215 -6.376 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.201 -15.065 -3.894 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.125 -16.413 -3.189 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.491 -15.849 -4.837 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -2.337 -14.876 -6.635 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.669 -15.436 -4.979 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -1.253 -14.409 -5.303 1.00 0.00 H new ATOM 343 N THR A 43 -1.608 -19.822 -4.549 1.00 0.00 N ATOM 344 CA THR A 43 -2.775 -20.676 -4.845 1.00 0.00 C ATOM 345 C THR A 43 -4.019 -20.075 -4.181 1.00 0.00 C ATOM 346 O THR A 43 -3.997 -19.753 -2.987 1.00 0.00 O ATOM 347 CB THR A 43 -2.567 -22.153 -4.347 1.00 0.00 C ATOM 348 OG1 THR A 43 -2.095 -22.161 -2.989 1.00 0.00 O ATOM 349 CG2 THR A 43 -1.580 -22.932 -5.227 1.00 0.00 C ATOM 0 H THR A 43 -1.535 -19.564 -3.565 1.00 0.00 H new ATOM 0 HA THR A 43 -2.902 -20.712 -5.927 1.00 0.00 H new ATOM 0 HB THR A 43 -3.537 -22.646 -4.410 1.00 0.00 H new ATOM 0 HG1 THR A 43 -2.520 -21.432 -2.491 1.00 0.00 H new ATOM 0 HG21 THR A 43 -1.471 -23.946 -4.842 1.00 0.00 H new ATOM 0 HG22 THR A 43 -1.956 -22.971 -6.249 1.00 0.00 H new ATOM 0 HG23 THR A 43 -0.611 -22.433 -5.216 1.00 0.00 H new ATOM 357 N GLY A 44 -5.094 -19.923 -4.965 1.00 0.00 N ATOM 358 CA GLY A 44 -6.356 -19.372 -4.483 1.00 0.00 C ATOM 359 C GLY A 44 -7.535 -20.165 -5.015 1.00 0.00 C ATOM 360 O GLY A 44 -8.041 -19.868 -6.099 1.00 0.00 O ATOM 0 H GLY A 44 -5.108 -20.181 -5.952 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -6.369 -19.382 -3.393 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -6.444 -18.331 -4.793 1.00 0.00 H new ATOM 364 N ARG A 45 -7.976 -21.172 -4.232 1.00 0.00 N ATOM 365 CA ARG A 45 -9.090 -22.064 -4.599 1.00 0.00 C ATOM 366 C ARG A 45 -10.399 -21.290 -4.812 1.00 0.00 C ATOM 367 O ARG A 45 -10.927 -20.699 -3.864 1.00 0.00 O ATOM 368 CB ARG A 45 -9.297 -23.169 -3.521 1.00 0.00 C ATOM 369 CG ARG A 45 -10.484 -24.129 -3.806 1.00 0.00 C ATOM 370 CD ARG A 45 -10.621 -25.248 -2.764 1.00 0.00 C ATOM 371 NE ARG A 45 -10.821 -24.733 -1.399 1.00 0.00 N ATOM 372 CZ ARG A 45 -10.502 -25.391 -0.275 1.00 0.00 C ATOM 373 NH1 ARG A 45 -9.932 -26.590 -0.324 1.00 0.00 N ATOM 374 NH2 ARG A 45 -10.737 -24.831 0.899 1.00 0.00 N ATOM 0 H ARG A 45 -7.566 -21.388 -3.324 1.00 0.00 H new ATOM 0 HA ARG A 45 -8.820 -22.535 -5.544 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -8.382 -23.756 -3.440 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -9.456 -22.691 -2.554 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -11.409 -23.553 -3.835 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -10.354 -24.574 -4.793 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -11.461 -25.888 -3.033 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -9.726 -25.870 -2.786 1.00 0.00 H new ATOM 0 HE ARG A 45 -11.234 -23.805 -1.301 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -9.731 -27.023 -1.226 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -9.695 -27.078 0.540 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -11.159 -23.903 0.946 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -10.497 -25.326 1.758 1.00 0.00 H new ATOM 388 N PHE A 46 -10.863 -21.258 -6.085 1.00 0.00 N ATOM 389 CA PHE A 46 -12.177 -20.701 -6.483 1.00 0.00 C ATOM 390 C PHE A 46 -12.239 -19.159 -6.266 1.00 0.00 C ATOM 391 O PHE A 46 -13.299 -18.533 -6.375 1.00 0.00 O ATOM 392 CB PHE A 46 -13.314 -21.473 -5.737 1.00 0.00 C ATOM 393 CG PHE A 46 -14.739 -21.157 -6.190 1.00 0.00 C ATOM 394 CD1 PHE A 46 -15.212 -21.604 -7.425 1.00 0.00 C ATOM 395 CD2 PHE A 46 -15.600 -20.410 -5.386 1.00 0.00 C ATOM 396 CE1 PHE A 46 -16.499 -21.310 -7.837 1.00 0.00 C ATOM 397 CE2 PHE A 46 -16.881 -20.118 -5.799 1.00 0.00 C ATOM 398 CZ PHE A 46 -17.332 -20.569 -7.022 1.00 0.00 C ATOM 0 H PHE A 46 -10.328 -21.623 -6.873 1.00 0.00 H new ATOM 0 HA PHE A 46 -12.322 -20.846 -7.554 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -13.142 -22.542 -5.860 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -13.235 -21.258 -4.671 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -14.566 -22.186 -8.066 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -15.257 -20.055 -4.425 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -16.852 -21.660 -8.796 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -17.533 -19.535 -5.165 1.00 0.00 H new ATOM 0 HZ PHE A 46 -18.338 -20.342 -7.343 1.00 0.00 H new ATOM 408 N ASN A 47 -11.069 -18.550 -5.998 1.00 0.00 N ATOM 409 CA ASN A 47 -10.942 -17.093 -5.829 1.00 0.00 C ATOM 410 C ASN A 47 -10.948 -16.400 -7.202 1.00 0.00 C ATOM 411 O ASN A 47 -10.634 -17.024 -8.220 1.00 0.00 O ATOM 412 CB ASN A 47 -9.660 -16.747 -5.016 1.00 0.00 C ATOM 413 CG ASN A 47 -9.795 -17.071 -3.520 1.00 0.00 C ATOM 414 OD1 ASN A 47 -9.548 -18.315 -3.144 1.00 0.00 O flip ATOM 415 ND2 ASN A 47 -10.145 -16.219 -2.710 1.00 0.00 N flip ATOM 0 H ASN A 47 -10.188 -19.054 -5.893 1.00 0.00 H new ATOM 0 HA ASN A 47 -11.797 -16.724 -5.263 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -8.815 -17.299 -5.427 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -9.436 -15.687 -5.134 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -10.330 -15.265 -3.021 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -10.251 -16.464 -1.726 1.00 0.00 H new ATOM 422 N ALA A 48 -11.340 -15.117 -7.211 1.00 0.00 N ATOM 423 CA ALA A 48 -11.459 -14.324 -8.443 1.00 0.00 C ATOM 424 C ALA A 48 -10.074 -14.010 -9.028 1.00 0.00 C ATOM 425 O ALA A 48 -9.084 -13.951 -8.286 1.00 0.00 O ATOM 426 CB ALA A 48 -12.241 -13.031 -8.169 1.00 0.00 C ATOM 0 H ALA A 48 -11.583 -14.601 -6.365 1.00 0.00 H new ATOM 0 HA ALA A 48 -12.008 -14.911 -9.179 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -12.322 -12.453 -9.089 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -13.239 -13.279 -7.807 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -11.718 -12.442 -7.416 1.00 0.00 H new ATOM 432 N ILE A 49 -10.021 -13.813 -10.357 1.00 0.00 N ATOM 433 CA ILE A 49 -8.772 -13.506 -11.074 1.00 0.00 C ATOM 434 C ILE A 49 -8.169 -12.176 -10.574 1.00 0.00 C ATOM 435 O ILE A 49 -6.979 -12.111 -10.296 1.00 0.00 O ATOM 436 CB ILE A 49 -8.972 -13.509 -12.648 1.00 0.00 C ATOM 437 CG1 ILE A 49 -7.636 -13.198 -13.414 1.00 0.00 C ATOM 438 CG2 ILE A 49 -10.103 -12.547 -13.089 1.00 0.00 C ATOM 439 CD1 ILE A 49 -6.485 -14.159 -13.136 1.00 0.00 C ATOM 0 H ILE A 49 -10.841 -13.862 -10.962 1.00 0.00 H new ATOM 0 HA ILE A 49 -8.060 -14.301 -10.853 1.00 0.00 H new ATOM 0 HB ILE A 49 -9.275 -14.520 -12.919 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -7.841 -13.203 -14.485 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -7.315 -12.189 -13.156 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -10.206 -12.580 -14.174 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -11.041 -12.852 -12.626 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -9.858 -11.531 -12.779 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -5.611 -13.856 -13.713 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -6.243 -14.139 -12.073 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -6.777 -15.169 -13.423 1.00 0.00 H new ATOM 451 N GLY A 50 -9.020 -11.150 -10.399 1.00 0.00 N ATOM 452 CA GLY A 50 -8.577 -9.838 -9.904 1.00 0.00 C ATOM 453 C GLY A 50 -8.089 -9.881 -8.456 1.00 0.00 C ATOM 454 O GLY A 50 -7.160 -9.159 -8.080 1.00 0.00 O ATOM 0 H GLY A 50 -10.020 -11.206 -10.594 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -7.774 -9.467 -10.541 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -9.401 -9.129 -9.983 1.00 0.00 H new ATOM 458 N ASP A 51 -8.739 -10.742 -7.656 1.00 0.00 N ATOM 459 CA ASP A 51 -8.383 -10.991 -6.240 1.00 0.00 C ATOM 460 C ASP A 51 -6.998 -11.660 -6.144 1.00 0.00 C ATOM 461 O ASP A 51 -6.171 -11.297 -5.298 1.00 0.00 O ATOM 462 CB ASP A 51 -9.473 -11.888 -5.596 1.00 0.00 C ATOM 463 CG ASP A 51 -9.147 -12.351 -4.164 1.00 0.00 C ATOM 464 OD1 ASP A 51 -9.354 -11.567 -3.209 1.00 0.00 O ATOM 465 OD2 ASP A 51 -8.698 -13.500 -3.979 1.00 0.00 O ATOM 0 H ASP A 51 -9.536 -11.293 -7.973 1.00 0.00 H new ATOM 0 HA ASP A 51 -8.333 -10.044 -5.703 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -10.416 -11.341 -5.583 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -9.622 -12.766 -6.224 1.00 0.00 H new ATOM 470 N ALA A 52 -6.770 -12.634 -7.034 1.00 0.00 N ATOM 471 CA ALA A 52 -5.515 -13.396 -7.098 1.00 0.00 C ATOM 472 C ALA A 52 -4.361 -12.525 -7.624 1.00 0.00 C ATOM 473 O ALA A 52 -3.226 -12.639 -7.155 1.00 0.00 O ATOM 474 CB ALA A 52 -5.702 -14.644 -7.967 1.00 0.00 C ATOM 0 H ALA A 52 -7.455 -12.918 -7.735 1.00 0.00 H new ATOM 0 HA ALA A 52 -5.251 -13.711 -6.088 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -4.767 -15.202 -8.008 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -6.481 -15.273 -7.537 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -5.991 -14.346 -8.975 1.00 0.00 H new ATOM 480 N VAL A 53 -4.667 -11.643 -8.596 1.00 0.00 N ATOM 481 CA VAL A 53 -3.692 -10.676 -9.133 1.00 0.00 C ATOM 482 C VAL A 53 -3.326 -9.626 -8.060 1.00 0.00 C ATOM 483 O VAL A 53 -2.177 -9.189 -7.985 1.00 0.00 O ATOM 484 CB VAL A 53 -4.204 -9.991 -10.462 1.00 0.00 C ATOM 485 CG1 VAL A 53 -3.283 -8.832 -10.916 1.00 0.00 C ATOM 486 CG2 VAL A 53 -4.341 -11.031 -11.606 1.00 0.00 C ATOM 0 H VAL A 53 -5.589 -11.582 -9.027 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.789 -11.227 -9.396 1.00 0.00 H new ATOM 0 HB VAL A 53 -5.185 -9.572 -10.238 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -3.676 -8.393 -11.833 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.245 -8.071 -10.137 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -2.279 -9.215 -11.098 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.695 -10.534 -12.509 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -3.371 -11.488 -11.800 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.054 -11.802 -11.313 1.00 0.00 H new ATOM 496 N SER A 54 -4.299 -9.269 -7.206 1.00 0.00 N ATOM 497 CA SER A 54 -4.078 -8.328 -6.090 1.00 0.00 C ATOM 498 C SER A 54 -3.166 -8.963 -5.019 1.00 0.00 C ATOM 499 O SER A 54 -2.285 -8.298 -4.461 1.00 0.00 O ATOM 500 CB SER A 54 -5.427 -7.899 -5.469 1.00 0.00 C ATOM 501 OG SER A 54 -5.251 -6.864 -4.515 1.00 0.00 O ATOM 0 H SER A 54 -5.255 -9.620 -7.266 1.00 0.00 H new ATOM 0 HA SER A 54 -3.581 -7.440 -6.481 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.100 -7.560 -6.256 1.00 0.00 H new ATOM 0 HB3 SER A 54 -5.900 -8.758 -4.993 1.00 0.00 H new ATOM 0 HG SER A 54 -6.121 -6.613 -4.141 1.00 0.00 H new ATOM 507 N ALA A 55 -3.381 -10.263 -4.768 1.00 0.00 N ATOM 508 CA ALA A 55 -2.604 -11.039 -3.788 1.00 0.00 C ATOM 509 C ALA A 55 -1.151 -11.238 -4.260 1.00 0.00 C ATOM 510 O ALA A 55 -0.210 -11.145 -3.463 1.00 0.00 O ATOM 511 CB ALA A 55 -3.289 -12.389 -3.539 1.00 0.00 C ATOM 0 H ALA A 55 -4.102 -10.809 -5.241 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.568 -10.482 -2.852 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -2.712 -12.962 -2.813 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -4.294 -12.221 -3.152 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -3.349 -12.945 -4.475 1.00 0.00 H new ATOM 517 N VAL A 56 -0.981 -11.493 -5.571 1.00 0.00 N ATOM 518 CA VAL A 56 0.342 -11.747 -6.179 1.00 0.00 C ATOM 519 C VAL A 56 1.110 -10.416 -6.395 1.00 0.00 C ATOM 520 O VAL A 56 2.341 -10.400 -6.405 1.00 0.00 O ATOM 521 CB VAL A 56 0.212 -12.583 -7.520 1.00 0.00 C ATOM 522 CG1 VAL A 56 -0.209 -11.724 -8.720 1.00 0.00 C ATOM 523 CG2 VAL A 56 1.489 -13.396 -7.829 1.00 0.00 C ATOM 0 H VAL A 56 -1.752 -11.529 -6.237 1.00 0.00 H new ATOM 0 HA VAL A 56 0.925 -12.354 -5.486 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.594 -13.296 -7.347 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.281 -12.351 -9.609 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -1.178 -11.267 -8.518 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.533 -10.943 -8.886 1.00 0.00 H new ATOM 0 HG21 VAL A 56 1.351 -13.952 -8.757 1.00 0.00 H new ATOM 0 HG22 VAL A 56 2.336 -12.718 -7.935 1.00 0.00 H new ATOM 0 HG23 VAL A 56 1.683 -14.093 -7.014 1.00 0.00 H new ATOM 533 N SER A 57 0.355 -9.307 -6.563 1.00 0.00 N ATOM 534 CA SER A 57 0.911 -7.937 -6.669 1.00 0.00 C ATOM 535 C SER A 57 1.494 -7.499 -5.323 1.00 0.00 C ATOM 536 O SER A 57 2.584 -6.909 -5.251 1.00 0.00 O ATOM 537 CB SER A 57 -0.194 -6.946 -7.104 1.00 0.00 C ATOM 538 OG SER A 57 0.308 -5.630 -7.262 1.00 0.00 O ATOM 0 H SER A 57 -0.662 -9.336 -6.629 1.00 0.00 H new ATOM 0 HA SER A 57 1.703 -7.940 -7.418 1.00 0.00 H new ATOM 0 HB2 SER A 57 -0.634 -7.282 -8.043 1.00 0.00 H new ATOM 0 HB3 SER A 57 -0.992 -6.943 -6.361 1.00 0.00 H new ATOM 0 HG SER A 57 1.022 -5.631 -7.933 1.00 0.00 H new ATOM 544 N ARG A 58 0.727 -7.795 -4.263 1.00 0.00 N ATOM 545 CA ARG A 58 1.125 -7.537 -2.879 1.00 0.00 C ATOM 546 C ARG A 58 2.361 -8.376 -2.522 1.00 0.00 C ATOM 547 O ARG A 58 3.314 -7.857 -1.947 1.00 0.00 O ATOM 548 CB ARG A 58 -0.043 -7.865 -1.910 1.00 0.00 C ATOM 549 CG ARG A 58 0.287 -7.665 -0.413 1.00 0.00 C ATOM 550 CD ARG A 58 0.598 -6.201 -0.062 1.00 0.00 C ATOM 551 NE ARG A 58 1.037 -6.064 1.337 1.00 0.00 N ATOM 552 CZ ARG A 58 0.290 -5.609 2.353 1.00 0.00 C ATOM 553 NH1 ARG A 58 -0.974 -5.245 2.166 1.00 0.00 N ATOM 554 NH2 ARG A 58 0.820 -5.532 3.561 1.00 0.00 N ATOM 0 H ARG A 58 -0.195 -8.224 -4.348 1.00 0.00 H new ATOM 0 HA ARG A 58 1.373 -6.481 -2.778 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -0.897 -7.239 -2.167 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -0.348 -8.900 -2.066 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -0.555 -8.007 0.189 1.00 0.00 H new ATOM 0 HG3 ARG A 58 1.142 -8.287 -0.148 1.00 0.00 H new ATOM 0 HD2 ARG A 58 1.375 -5.823 -0.727 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -0.289 -5.589 -0.228 1.00 0.00 H new ATOM 0 HE ARG A 58 1.995 -6.340 1.552 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -1.391 -5.309 1.237 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -1.527 -4.901 2.951 1.00 0.00 H new ATOM 0 HH21 ARG A 58 1.788 -5.817 3.713 1.00 0.00 H new ATOM 0 HH22 ARG A 58 0.262 -5.187 4.342 1.00 0.00 H new ATOM 568 N ARG A 59 2.326 -9.673 -2.901 1.00 0.00 N ATOM 569 CA ARG A 59 3.417 -10.629 -2.631 1.00 0.00 C ATOM 570 C ARG A 59 4.706 -10.138 -3.320 1.00 0.00 C ATOM 571 O ARG A 59 5.773 -10.130 -2.705 1.00 0.00 O ATOM 572 CB ARG A 59 3.015 -12.070 -3.106 1.00 0.00 C ATOM 573 CG ARG A 59 3.796 -13.252 -2.449 1.00 0.00 C ATOM 574 CD ARG A 59 5.270 -13.338 -2.850 1.00 0.00 C ATOM 575 NE ARG A 59 6.066 -14.220 -1.975 1.00 0.00 N ATOM 576 CZ ARG A 59 6.406 -15.490 -2.240 1.00 0.00 C ATOM 577 NH1 ARG A 59 5.865 -16.143 -3.262 1.00 0.00 N ATOM 578 NH2 ARG A 59 7.272 -16.105 -1.455 1.00 0.00 N ATOM 0 H ARG A 59 1.539 -10.084 -3.403 1.00 0.00 H new ATOM 0 HA ARG A 59 3.601 -10.685 -1.558 1.00 0.00 H new ATOM 0 HB2 ARG A 59 1.952 -12.211 -2.912 1.00 0.00 H new ATOM 0 HB3 ARG A 59 3.152 -12.126 -4.186 1.00 0.00 H new ATOM 0 HG2 ARG A 59 3.732 -13.155 -1.365 1.00 0.00 H new ATOM 0 HG3 ARG A 59 3.305 -14.188 -2.715 1.00 0.00 H new ATOM 0 HD2 ARG A 59 5.339 -13.699 -3.876 1.00 0.00 H new ATOM 0 HD3 ARG A 59 5.702 -12.337 -2.834 1.00 0.00 H new ATOM 0 HE ARG A 59 6.386 -13.829 -1.089 1.00 0.00 H new ATOM 0 HH11 ARG A 59 5.180 -15.679 -3.859 1.00 0.00 H new ATOM 0 HH12 ARG A 59 6.134 -17.109 -3.450 1.00 0.00 H new ATOM 0 HH21 ARG A 59 7.675 -15.614 -0.657 1.00 0.00 H new ATOM 0 HH22 ARG A 59 7.538 -17.071 -1.647 1.00 0.00 H new ATOM 592 N ALA A 60 4.572 -9.704 -4.587 1.00 0.00 N ATOM 593 CA ALA A 60 5.692 -9.169 -5.391 1.00 0.00 C ATOM 594 C ALA A 60 6.346 -7.973 -4.679 1.00 0.00 C ATOM 595 O ALA A 60 7.571 -7.880 -4.586 1.00 0.00 O ATOM 596 CB ALA A 60 5.190 -8.769 -6.790 1.00 0.00 C ATOM 0 H ALA A 60 3.682 -9.714 -5.085 1.00 0.00 H new ATOM 0 HA ALA A 60 6.448 -9.946 -5.503 1.00 0.00 H new ATOM 0 HB1 ALA A 60 6.021 -8.376 -7.376 1.00 0.00 H new ATOM 0 HB2 ALA A 60 4.774 -9.643 -7.291 1.00 0.00 H new ATOM 0 HB3 ALA A 60 4.419 -8.004 -6.695 1.00 0.00 H new ATOM 602 N ASP A 61 5.492 -7.098 -4.130 1.00 0.00 N ATOM 603 CA ASP A 61 5.916 -5.910 -3.371 1.00 0.00 C ATOM 604 C ASP A 61 6.658 -6.306 -2.079 1.00 0.00 C ATOM 605 O ASP A 61 7.649 -5.667 -1.700 1.00 0.00 O ATOM 606 CB ASP A 61 4.687 -5.045 -3.030 1.00 0.00 C ATOM 607 CG ASP A 61 5.048 -3.708 -2.359 1.00 0.00 C ATOM 608 OD1 ASP A 61 5.326 -2.732 -3.084 1.00 0.00 O ATOM 609 OD2 ASP A 61 5.057 -3.628 -1.110 1.00 0.00 O ATOM 0 H ASP A 61 4.479 -7.194 -4.200 1.00 0.00 H new ATOM 0 HA ASP A 61 6.605 -5.337 -3.991 1.00 0.00 H new ATOM 0 HB2 ASP A 61 4.128 -4.845 -3.944 1.00 0.00 H new ATOM 0 HB3 ASP A 61 4.028 -5.608 -2.370 1.00 0.00 H new ATOM 614 N GLU A 62 6.165 -7.373 -1.417 1.00 0.00 N ATOM 615 CA GLU A 62 6.786 -7.932 -0.200 1.00 0.00 C ATOM 616 C GLU A 62 8.213 -8.443 -0.497 1.00 0.00 C ATOM 617 O GLU A 62 9.103 -8.341 0.355 1.00 0.00 O ATOM 618 CB GLU A 62 5.924 -9.087 0.382 1.00 0.00 C ATOM 619 CG GLU A 62 4.513 -8.694 0.868 1.00 0.00 C ATOM 620 CD GLU A 62 4.508 -7.668 2.014 1.00 0.00 C ATOM 621 OE1 GLU A 62 4.941 -8.016 3.133 1.00 0.00 O ATOM 622 OE2 GLU A 62 4.064 -6.516 1.811 1.00 0.00 O ATOM 0 H GLU A 62 5.325 -7.871 -1.712 1.00 0.00 H new ATOM 0 HA GLU A 62 6.845 -7.133 0.539 1.00 0.00 H new ATOM 0 HB2 GLU A 62 5.823 -9.859 -0.381 1.00 0.00 H new ATOM 0 HB3 GLU A 62 6.464 -9.533 1.217 1.00 0.00 H new ATOM 0 HG2 GLU A 62 3.951 -8.287 0.027 1.00 0.00 H new ATOM 0 HG3 GLU A 62 3.990 -9.592 1.196 1.00 0.00 H new ATOM 629 N GLU A 63 8.410 -8.987 -1.714 1.00 0.00 N ATOM 630 CA GLU A 63 9.724 -9.499 -2.161 1.00 0.00 C ATOM 631 C GLU A 63 10.654 -8.350 -2.602 1.00 0.00 C ATOM 632 O GLU A 63 11.850 -8.563 -2.803 1.00 0.00 O ATOM 633 CB GLU A 63 9.557 -10.527 -3.313 1.00 0.00 C ATOM 634 CG GLU A 63 8.557 -11.667 -3.028 1.00 0.00 C ATOM 635 CD GLU A 63 8.760 -12.393 -1.675 1.00 0.00 C ATOM 636 OE1 GLU A 63 9.660 -13.255 -1.574 1.00 0.00 O ATOM 637 OE2 GLU A 63 7.994 -12.115 -0.712 1.00 0.00 O ATOM 0 H GLU A 63 7.671 -9.084 -2.411 1.00 0.00 H new ATOM 0 HA GLU A 63 10.184 -10.002 -1.311 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.235 -9.997 -4.209 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.531 -10.964 -3.534 1.00 0.00 H new ATOM 0 HG2 GLU A 63 7.547 -11.259 -3.056 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.627 -12.401 -3.831 1.00 0.00 H new ATOM 644 N GLY A 64 10.088 -7.137 -2.751 1.00 0.00 N ATOM 645 CA GLY A 64 10.866 -5.936 -3.085 1.00 0.00 C ATOM 646 C GLY A 64 10.849 -5.595 -4.565 1.00 0.00 C ATOM 647 O GLY A 64 11.675 -4.808 -5.033 1.00 0.00 O ATOM 0 H GLY A 64 9.088 -6.966 -2.644 1.00 0.00 H new ATOM 0 HA2 GLY A 64 10.473 -5.090 -2.521 1.00 0.00 H new ATOM 0 HA3 GLY A 64 11.898 -6.081 -2.765 1.00 0.00 H new ATOM 651 N ALA A 65 9.899 -6.183 -5.304 1.00 0.00 N ATOM 652 CA ALA A 65 9.771 -5.989 -6.756 1.00 0.00 C ATOM 653 C ALA A 65 9.112 -4.644 -7.091 1.00 0.00 C ATOM 654 O ALA A 65 8.109 -4.262 -6.478 1.00 0.00 O ATOM 655 CB ALA A 65 8.966 -7.133 -7.375 1.00 0.00 C ATOM 0 H ALA A 65 9.195 -6.808 -4.911 1.00 0.00 H new ATOM 0 HA ALA A 65 10.776 -5.985 -7.178 1.00 0.00 H new ATOM 0 HB1 ALA A 65 8.879 -6.977 -8.450 1.00 0.00 H new ATOM 0 HB2 ALA A 65 9.473 -8.079 -7.186 1.00 0.00 H new ATOM 0 HB3 ALA A 65 7.971 -7.160 -6.931 1.00 0.00 H new ATOM 661 N ALA A 66 9.698 -3.941 -8.070 1.00 0.00 N ATOM 662 CA ALA A 66 9.139 -2.700 -8.621 1.00 0.00 C ATOM 663 C ALA A 66 8.001 -3.017 -9.596 1.00 0.00 C ATOM 664 O ALA A 66 7.054 -2.239 -9.744 1.00 0.00 O ATOM 665 CB ALA A 66 10.244 -1.897 -9.318 1.00 0.00 C ATOM 0 H ALA A 66 10.578 -4.219 -8.504 1.00 0.00 H new ATOM 0 HA ALA A 66 8.732 -2.099 -7.808 1.00 0.00 H new ATOM 0 HB1 ALA A 66 9.824 -0.977 -9.725 1.00 0.00 H new ATOM 0 HB2 ALA A 66 11.025 -1.652 -8.598 1.00 0.00 H new ATOM 0 HB3 ALA A 66 10.670 -2.490 -10.127 1.00 0.00 H new ATOM 671 N SER A 67 8.124 -4.174 -10.263 1.00 0.00 N ATOM 672 CA SER A 67 7.146 -4.659 -11.238 1.00 0.00 C ATOM 673 C SER A 67 7.016 -6.183 -11.146 1.00 0.00 C ATOM 674 O SER A 67 7.767 -6.831 -10.417 1.00 0.00 O ATOM 675 CB SER A 67 7.557 -4.220 -12.663 1.00 0.00 C ATOM 676 OG SER A 67 7.662 -2.803 -12.770 1.00 0.00 O ATOM 0 H SER A 67 8.916 -4.804 -10.136 1.00 0.00 H new ATOM 0 HA SER A 67 6.172 -4.224 -11.014 1.00 0.00 H new ATOM 0 HB2 SER A 67 8.512 -4.676 -12.923 1.00 0.00 H new ATOM 0 HB3 SER A 67 6.824 -4.586 -13.382 1.00 0.00 H new ATOM 0 HG SER A 67 7.925 -2.562 -13.683 1.00 0.00 H new ATOM 682 N PHE A 68 6.036 -6.736 -11.867 1.00 0.00 N ATOM 683 CA PHE A 68 5.836 -8.191 -11.991 1.00 0.00 C ATOM 684 C PHE A 68 4.940 -8.465 -13.205 1.00 0.00 C ATOM 685 O PHE A 68 4.178 -7.588 -13.621 1.00 0.00 O ATOM 686 CB PHE A 68 5.203 -8.790 -10.692 1.00 0.00 C ATOM 687 CG PHE A 68 3.708 -8.501 -10.521 1.00 0.00 C ATOM 688 CD1 PHE A 68 3.250 -7.231 -10.179 1.00 0.00 C ATOM 689 CD2 PHE A 68 2.763 -9.501 -10.746 1.00 0.00 C ATOM 690 CE1 PHE A 68 1.896 -6.977 -10.064 1.00 0.00 C ATOM 691 CE2 PHE A 68 1.420 -9.243 -10.633 1.00 0.00 C ATOM 692 CZ PHE A 68 0.983 -7.988 -10.295 1.00 0.00 C ATOM 0 H PHE A 68 5.352 -6.186 -12.387 1.00 0.00 H new ATOM 0 HA PHE A 68 6.803 -8.674 -12.130 1.00 0.00 H new ATOM 0 HB2 PHE A 68 5.353 -9.870 -10.694 1.00 0.00 H new ATOM 0 HB3 PHE A 68 5.737 -8.396 -9.828 1.00 0.00 H new ATOM 0 HD1 PHE A 68 3.960 -6.437 -10.002 1.00 0.00 H new ATOM 0 HD2 PHE A 68 3.093 -10.494 -11.013 1.00 0.00 H new ATOM 0 HE1 PHE A 68 1.552 -5.989 -9.794 1.00 0.00 H new ATOM 0 HE2 PHE A 68 0.704 -10.032 -10.811 1.00 0.00 H new ATOM 0 HZ PHE A 68 -0.075 -7.790 -10.209 1.00 0.00 H new ATOM 702 N TYR A 69 4.993 -9.687 -13.736 1.00 0.00 N ATOM 703 CA TYR A 69 4.118 -10.111 -14.836 1.00 0.00 C ATOM 704 C TYR A 69 3.476 -11.455 -14.491 1.00 0.00 C ATOM 705 O TYR A 69 4.182 -12.441 -14.260 1.00 0.00 O ATOM 706 CB TYR A 69 4.892 -10.213 -16.176 1.00 0.00 C ATOM 707 CG TYR A 69 3.993 -10.595 -17.370 1.00 0.00 C ATOM 708 CD1 TYR A 69 3.060 -9.691 -17.871 1.00 0.00 C ATOM 709 CD2 TYR A 69 4.056 -11.855 -17.977 1.00 0.00 C ATOM 710 CE1 TYR A 69 2.223 -10.024 -18.916 1.00 0.00 C ATOM 711 CE2 TYR A 69 3.223 -12.190 -19.030 1.00 0.00 C ATOM 712 CZ TYR A 69 2.309 -11.273 -19.493 1.00 0.00 C ATOM 713 OH TYR A 69 1.466 -11.613 -20.529 1.00 0.00 O ATOM 0 H TYR A 69 5.639 -10.410 -13.419 1.00 0.00 H new ATOM 0 HA TYR A 69 3.342 -9.357 -14.963 1.00 0.00 H new ATOM 0 HB2 TYR A 69 5.374 -9.257 -16.383 1.00 0.00 H new ATOM 0 HB3 TYR A 69 5.685 -10.954 -16.075 1.00 0.00 H new ATOM 0 HD1 TYR A 69 2.990 -8.707 -17.432 1.00 0.00 H new ATOM 0 HD2 TYR A 69 4.770 -12.581 -17.616 1.00 0.00 H new ATOM 0 HE1 TYR A 69 1.502 -9.308 -19.281 1.00 0.00 H new ATOM 0 HE2 TYR A 69 3.290 -13.167 -19.486 1.00 0.00 H new ATOM 0 HH TYR A 69 1.659 -12.528 -20.821 1.00 0.00 H new ATOM 723 N VAL A 70 2.130 -11.480 -14.459 1.00 0.00 N ATOM 724 CA VAL A 70 1.363 -12.720 -14.332 1.00 0.00 C ATOM 725 C VAL A 70 1.510 -13.520 -15.642 1.00 0.00 C ATOM 726 O VAL A 70 0.825 -13.249 -16.638 1.00 0.00 O ATOM 727 CB VAL A 70 -0.157 -12.452 -14.009 1.00 0.00 C ATOM 728 CG1 VAL A 70 -0.938 -13.780 -13.882 1.00 0.00 C ATOM 729 CG2 VAL A 70 -0.318 -11.595 -12.730 1.00 0.00 C ATOM 0 H VAL A 70 1.552 -10.642 -14.521 1.00 0.00 H new ATOM 0 HA VAL A 70 1.758 -13.292 -13.493 1.00 0.00 H new ATOM 0 HB VAL A 70 -0.577 -11.889 -14.842 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.984 -13.567 -13.659 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -0.872 -14.332 -14.820 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.510 -14.378 -13.078 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.377 -11.428 -12.535 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.129 -12.117 -11.884 1.00 0.00 H new ATOM 0 HG23 VAL A 70 0.181 -10.636 -12.870 1.00 0.00 H new ATOM 739 N VAL A 71 2.455 -14.463 -15.634 1.00 0.00 N ATOM 740 CA VAL A 71 2.854 -15.223 -16.829 1.00 0.00 C ATOM 741 C VAL A 71 1.994 -16.489 -16.997 1.00 0.00 C ATOM 742 O VAL A 71 1.653 -16.873 -18.126 1.00 0.00 O ATOM 743 CB VAL A 71 4.389 -15.567 -16.775 1.00 0.00 C ATOM 744 CG1 VAL A 71 4.752 -16.392 -15.513 1.00 0.00 C ATOM 745 CG2 VAL A 71 4.870 -16.260 -18.078 1.00 0.00 C ATOM 0 H VAL A 71 2.971 -14.725 -14.794 1.00 0.00 H new ATOM 0 HA VAL A 71 2.681 -14.599 -17.706 1.00 0.00 H new ATOM 0 HB VAL A 71 4.926 -14.621 -16.700 1.00 0.00 H new ATOM 0 HG11 VAL A 71 5.820 -16.608 -15.515 1.00 0.00 H new ATOM 0 HG12 VAL A 71 4.499 -15.821 -14.620 1.00 0.00 H new ATOM 0 HG13 VAL A 71 4.193 -17.327 -15.517 1.00 0.00 H new ATOM 0 HG21 VAL A 71 5.935 -16.481 -18.001 1.00 0.00 H new ATOM 0 HG22 VAL A 71 4.316 -17.188 -18.222 1.00 0.00 H new ATOM 0 HG23 VAL A 71 4.697 -15.599 -18.927 1.00 0.00 H new ATOM 755 N ASP A 72 1.603 -17.102 -15.870 1.00 0.00 N ATOM 756 CA ASP A 72 0.820 -18.351 -15.866 1.00 0.00 C ATOM 757 C ASP A 72 -0.349 -18.227 -14.876 1.00 0.00 C ATOM 758 O ASP A 72 -0.158 -17.838 -13.716 1.00 0.00 O ATOM 759 CB ASP A 72 1.725 -19.566 -15.485 1.00 0.00 C ATOM 760 CG ASP A 72 1.078 -20.948 -15.761 1.00 0.00 C ATOM 761 OD1 ASP A 72 0.086 -21.318 -15.089 1.00 0.00 O ATOM 762 OD2 ASP A 72 1.569 -21.681 -16.648 1.00 0.00 O ATOM 0 H ASP A 72 1.819 -16.749 -14.938 1.00 0.00 H new ATOM 0 HA ASP A 72 0.424 -18.521 -16.867 1.00 0.00 H new ATOM 0 HB2 ASP A 72 2.660 -19.497 -16.041 1.00 0.00 H new ATOM 0 HB3 ASP A 72 1.977 -19.500 -14.427 1.00 0.00 H new ATOM 767 N THR A 73 -1.556 -18.549 -15.364 1.00 0.00 N ATOM 768 CA THR A 73 -2.754 -18.770 -14.542 1.00 0.00 C ATOM 769 C THR A 73 -3.455 -20.034 -15.063 1.00 0.00 C ATOM 770 O THR A 73 -4.089 -20.024 -16.124 1.00 0.00 O ATOM 771 CB THR A 73 -3.741 -17.544 -14.558 1.00 0.00 C ATOM 772 OG1 THR A 73 -3.873 -17.029 -15.888 1.00 0.00 O ATOM 773 CG2 THR A 73 -3.279 -16.419 -13.627 1.00 0.00 C ATOM 0 H THR A 73 -1.730 -18.665 -16.362 1.00 0.00 H new ATOM 0 HA THR A 73 -2.447 -18.892 -13.503 1.00 0.00 H new ATOM 0 HB THR A 73 -4.705 -17.907 -14.200 1.00 0.00 H new ATOM 0 HG1 THR A 73 -3.995 -17.772 -16.516 1.00 0.00 H new ATOM 0 HG21 THR A 73 -3.991 -15.595 -13.671 1.00 0.00 H new ATOM 0 HG22 THR A 73 -3.220 -16.793 -12.605 1.00 0.00 H new ATOM 0 HG23 THR A 73 -2.296 -16.067 -13.941 1.00 0.00 H new ATOM 781 N SER A 74 -3.298 -21.122 -14.315 1.00 0.00 N ATOM 782 CA SER A 74 -3.882 -22.440 -14.612 1.00 0.00 C ATOM 783 C SER A 74 -4.167 -23.155 -13.289 1.00 0.00 C ATOM 784 O SER A 74 -3.713 -22.697 -12.236 1.00 0.00 O ATOM 785 CB SER A 74 -2.916 -23.278 -15.489 1.00 0.00 C ATOM 786 OG SER A 74 -2.705 -22.670 -16.754 1.00 0.00 O ATOM 0 H SER A 74 -2.745 -21.118 -13.458 1.00 0.00 H new ATOM 0 HA SER A 74 -4.810 -22.315 -15.169 1.00 0.00 H new ATOM 0 HB2 SER A 74 -1.962 -23.392 -14.975 1.00 0.00 H new ATOM 0 HB3 SER A 74 -3.324 -24.279 -15.628 1.00 0.00 H new ATOM 0 HG SER A 74 -2.091 -23.221 -17.283 1.00 0.00 H new ATOM 792 N GLU A 75 -4.918 -24.274 -13.335 1.00 0.00 N ATOM 793 CA GLU A 75 -5.226 -25.048 -12.126 1.00 0.00 C ATOM 794 C GLU A 75 -3.950 -25.722 -11.572 1.00 0.00 C ATOM 795 O GLU A 75 -3.026 -26.056 -12.330 1.00 0.00 O ATOM 796 CB GLU A 75 -6.363 -26.077 -12.364 1.00 0.00 C ATOM 797 CG GLU A 75 -6.088 -27.140 -13.443 1.00 0.00 C ATOM 798 CD GLU A 75 -7.234 -28.160 -13.586 1.00 0.00 C ATOM 799 OE1 GLU A 75 -8.277 -27.808 -14.183 1.00 0.00 O ATOM 800 OE2 GLU A 75 -7.102 -29.309 -13.102 1.00 0.00 O ATOM 0 H GLU A 75 -5.318 -24.656 -14.192 1.00 0.00 H new ATOM 0 HA GLU A 75 -5.595 -24.351 -11.373 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -6.569 -26.587 -11.423 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -7.268 -25.534 -12.638 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -5.927 -26.645 -14.401 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -5.166 -27.668 -13.199 1.00 0.00 H new ATOM 866 N ASN A 81 -9.021 -25.452 -7.358 1.00 0.00 N ATOM 867 CA ASN A 81 -7.826 -24.877 -6.727 1.00 0.00 C ATOM 868 C ASN A 81 -6.804 -24.549 -7.806 1.00 0.00 C ATOM 869 O ASN A 81 -6.068 -25.426 -8.265 1.00 0.00 O ATOM 870 CB ASN A 81 -7.222 -25.823 -5.657 1.00 0.00 C ATOM 871 CG ASN A 81 -6.008 -25.209 -4.941 1.00 0.00 C ATOM 872 OD1 ASN A 81 -6.155 -24.415 -4.012 1.00 0.00 O ATOM 873 ND2 ASN A 81 -4.806 -25.597 -5.341 1.00 0.00 N ATOM 0 HA ASN A 81 -8.113 -23.964 -6.206 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -7.987 -26.068 -4.921 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -6.925 -26.758 -6.131 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -3.973 -25.236 -4.876 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -4.714 -26.256 -6.114 1.00 0.00 H new ATOM 880 N TRP A 82 -6.792 -23.282 -8.230 1.00 0.00 N ATOM 881 CA TRP A 82 -5.923 -22.809 -9.310 1.00 0.00 C ATOM 882 C TRP A 82 -4.806 -21.919 -8.750 1.00 0.00 C ATOM 883 O TRP A 82 -4.978 -21.254 -7.723 1.00 0.00 O ATOM 884 CB TRP A 82 -6.764 -22.085 -10.402 1.00 0.00 C ATOM 885 CG TRP A 82 -7.451 -20.815 -9.947 1.00 0.00 C ATOM 886 CD1 TRP A 82 -8.517 -20.700 -9.096 1.00 0.00 C ATOM 887 CD2 TRP A 82 -7.121 -19.481 -10.348 1.00 0.00 C ATOM 888 NE1 TRP A 82 -8.847 -19.377 -8.932 1.00 0.00 N ATOM 889 CE2 TRP A 82 -8.010 -18.611 -9.697 1.00 0.00 C ATOM 890 CE3 TRP A 82 -6.156 -18.947 -11.201 1.00 0.00 C ATOM 891 CZ2 TRP A 82 -7.955 -17.235 -9.860 1.00 0.00 C ATOM 892 CZ3 TRP A 82 -6.106 -17.580 -11.363 1.00 0.00 C ATOM 893 CH2 TRP A 82 -7.002 -16.740 -10.699 1.00 0.00 C ATOM 0 H TRP A 82 -7.386 -22.554 -7.833 1.00 0.00 H new ATOM 0 HA TRP A 82 -5.443 -23.665 -9.785 1.00 0.00 H new ATOM 0 HB2 TRP A 82 -6.112 -21.846 -11.242 1.00 0.00 H new ATOM 0 HB3 TRP A 82 -7.521 -22.776 -10.773 1.00 0.00 H new ATOM 0 HD1 TRP A 82 -9.024 -21.528 -8.623 1.00 0.00 H new ATOM 0 HE1 TRP A 82 -9.595 -19.023 -8.336 1.00 0.00 H new ATOM 0 HE3 TRP A 82 -5.463 -19.591 -11.723 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 -8.641 -16.581 -9.342 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -5.360 -17.150 -12.015 1.00 0.00 H new ATOM 0 HH2 TRP A 82 -6.938 -15.673 -10.854 1.00 0.00 H new ATOM 904 N ARG A 83 -3.660 -21.933 -9.442 1.00 0.00 N ATOM 905 CA ARG A 83 -2.438 -21.226 -9.039 1.00 0.00 C ATOM 906 C ARG A 83 -2.159 -20.042 -9.986 1.00 0.00 C ATOM 907 O ARG A 83 -2.618 -20.024 -11.137 1.00 0.00 O ATOM 908 CB ARG A 83 -1.247 -22.240 -8.991 1.00 0.00 C ATOM 909 CG ARG A 83 -0.882 -22.935 -10.341 1.00 0.00 C ATOM 910 CD ARG A 83 0.154 -22.149 -11.171 1.00 0.00 C ATOM 911 NE ARG A 83 0.346 -22.688 -12.533 1.00 0.00 N ATOM 912 CZ ARG A 83 1.303 -23.549 -12.907 1.00 0.00 C ATOM 913 NH1 ARG A 83 2.126 -24.094 -12.022 1.00 0.00 N ATOM 914 NH2 ARG A 83 1.431 -23.851 -14.185 1.00 0.00 N ATOM 0 H ARG A 83 -3.554 -22.447 -10.317 1.00 0.00 H new ATOM 0 HA ARG A 83 -2.566 -20.806 -8.041 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -0.364 -21.715 -8.625 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -1.484 -23.013 -8.260 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -0.492 -23.932 -10.135 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -1.789 -23.064 -10.932 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -0.162 -21.108 -11.241 1.00 0.00 H new ATOM 0 HD3 ARG A 83 1.110 -22.157 -10.647 1.00 0.00 H new ATOM 0 HE ARG A 83 -0.307 -22.378 -13.252 1.00 0.00 H new ATOM 0 HH11 ARG A 83 2.038 -23.861 -11.033 1.00 0.00 H new ATOM 0 HH12 ARG A 83 2.847 -24.747 -12.330 1.00 0.00 H new ATOM 0 HH21 ARG A 83 0.806 -23.431 -14.873 1.00 0.00 H new ATOM 0 HH22 ARG A 83 2.155 -24.505 -14.485 1.00 0.00 H new ATOM 928 N VAL A 84 -1.393 -19.063 -9.480 1.00 0.00 N ATOM 929 CA VAL A 84 -0.939 -17.882 -10.235 1.00 0.00 C ATOM 930 C VAL A 84 0.587 -17.774 -10.105 1.00 0.00 C ATOM 931 O VAL A 84 1.094 -17.486 -9.008 1.00 0.00 O ATOM 932 CB VAL A 84 -1.593 -16.544 -9.699 1.00 0.00 C ATOM 933 CG1 VAL A 84 -1.107 -15.307 -10.494 1.00 0.00 C ATOM 934 CG2 VAL A 84 -3.129 -16.635 -9.704 1.00 0.00 C ATOM 0 H VAL A 84 -1.064 -19.069 -8.514 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.242 -18.009 -11.274 1.00 0.00 H new ATOM 0 HB VAL A 84 -1.266 -16.416 -8.667 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -1.579 -14.409 -10.095 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.024 -15.218 -10.403 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.375 -15.421 -11.544 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -3.550 -15.701 -9.331 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.480 -16.810 -10.721 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -3.447 -17.458 -9.064 1.00 0.00 H new ATOM 944 N VAL A 85 1.317 -18.048 -11.201 1.00 0.00 N ATOM 945 CA VAL A 85 2.762 -17.784 -11.273 1.00 0.00 C ATOM 946 C VAL A 85 2.977 -16.393 -11.882 1.00 0.00 C ATOM 947 O VAL A 85 2.416 -16.079 -12.947 1.00 0.00 O ATOM 948 CB VAL A 85 3.554 -18.851 -12.120 1.00 0.00 C ATOM 949 CG1 VAL A 85 5.079 -18.603 -12.029 1.00 0.00 C ATOM 950 CG2 VAL A 85 3.205 -20.287 -11.679 1.00 0.00 C ATOM 0 H VAL A 85 0.926 -18.454 -12.051 1.00 0.00 H new ATOM 0 HA VAL A 85 3.152 -17.842 -10.257 1.00 0.00 H new ATOM 0 HB VAL A 85 3.251 -18.740 -13.161 1.00 0.00 H new ATOM 0 HG11 VAL A 85 5.605 -19.351 -12.621 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.310 -17.609 -12.412 1.00 0.00 H new ATOM 0 HG13 VAL A 85 5.398 -18.674 -10.989 1.00 0.00 H new ATOM 0 HG21 VAL A 85 3.767 -21.000 -12.282 1.00 0.00 H new ATOM 0 HG22 VAL A 85 3.463 -20.418 -10.628 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.137 -20.460 -11.815 1.00 0.00 H new ATOM 960 N ALA A 86 3.793 -15.582 -11.211 1.00 0.00 N ATOM 961 CA ALA A 86 4.135 -14.236 -11.651 1.00 0.00 C ATOM 962 C ALA A 86 5.606 -13.985 -11.338 1.00 0.00 C ATOM 963 O ALA A 86 6.017 -14.042 -10.185 1.00 0.00 O ATOM 964 CB ALA A 86 3.235 -13.193 -10.969 1.00 0.00 C ATOM 0 H ALA A 86 4.240 -15.848 -10.334 1.00 0.00 H new ATOM 0 HA ALA A 86 3.972 -14.145 -12.725 1.00 0.00 H new ATOM 0 HB1 ALA A 86 3.509 -12.196 -11.313 1.00 0.00 H new ATOM 0 HB2 ALA A 86 2.193 -13.391 -11.221 1.00 0.00 H new ATOM 0 HB3 ALA A 86 3.364 -13.252 -9.888 1.00 0.00 H new ATOM 970 N ASP A 87 6.405 -13.755 -12.369 1.00 0.00 N ATOM 971 CA ASP A 87 7.835 -13.458 -12.215 1.00 0.00 C ATOM 972 C ASP A 87 8.012 -11.954 -11.952 1.00 0.00 C ATOM 973 O ASP A 87 7.295 -11.134 -12.524 1.00 0.00 O ATOM 974 CB ASP A 87 8.630 -13.954 -13.447 1.00 0.00 C ATOM 975 CG ASP A 87 8.150 -13.388 -14.789 1.00 0.00 C ATOM 976 OD1 ASP A 87 6.986 -13.637 -15.177 1.00 0.00 O ATOM 977 OD2 ASP A 87 8.945 -12.753 -15.481 1.00 0.00 O ATOM 0 H ASP A 87 6.088 -13.767 -13.338 1.00 0.00 H new ATOM 0 HA ASP A 87 8.241 -13.994 -11.357 1.00 0.00 H new ATOM 0 HB2 ASP A 87 9.680 -13.694 -13.313 1.00 0.00 H new ATOM 0 HB3 ASP A 87 8.573 -15.042 -13.486 1.00 0.00 H new ATOM 982 N VAL A 88 8.973 -11.612 -11.076 1.00 0.00 N ATOM 983 CA VAL A 88 9.081 -10.276 -10.459 1.00 0.00 C ATOM 984 C VAL A 88 10.350 -9.539 -10.939 1.00 0.00 C ATOM 985 O VAL A 88 11.419 -10.138 -11.097 1.00 0.00 O ATOM 986 CB VAL A 88 9.047 -10.389 -8.884 1.00 0.00 C ATOM 987 CG1 VAL A 88 7.692 -10.953 -8.400 1.00 0.00 C ATOM 988 CG2 VAL A 88 10.216 -11.233 -8.325 1.00 0.00 C ATOM 0 H VAL A 88 9.702 -12.258 -10.774 1.00 0.00 H new ATOM 0 HA VAL A 88 8.221 -9.685 -10.776 1.00 0.00 H new ATOM 0 HB VAL A 88 9.167 -9.378 -8.495 1.00 0.00 H new ATOM 0 HG11 VAL A 88 7.694 -11.021 -7.312 1.00 0.00 H new ATOM 0 HG12 VAL A 88 6.887 -10.292 -8.721 1.00 0.00 H new ATOM 0 HG13 VAL A 88 7.538 -11.945 -8.825 1.00 0.00 H new ATOM 0 HG21 VAL A 88 10.145 -11.278 -7.238 1.00 0.00 H new ATOM 0 HG22 VAL A 88 10.165 -12.242 -8.735 1.00 0.00 H new ATOM 0 HG23 VAL A 88 11.164 -10.774 -8.608 1.00 0.00 H new ATOM 998 N TYR A 89 10.201 -8.215 -11.133 1.00 0.00 N ATOM 999 CA TYR A 89 11.151 -7.353 -11.855 1.00 0.00 C ATOM 1000 C TYR A 89 11.573 -6.145 -10.999 1.00 0.00 C ATOM 1001 O TYR A 89 10.953 -5.832 -9.975 1.00 0.00 O ATOM 1002 CB TYR A 89 10.486 -6.812 -13.160 1.00 0.00 C ATOM 1003 CG TYR A 89 10.127 -7.862 -14.216 1.00 0.00 C ATOM 1004 CD1 TYR A 89 8.936 -8.594 -14.147 1.00 0.00 C ATOM 1005 CD2 TYR A 89 10.960 -8.086 -15.311 1.00 0.00 C ATOM 1006 CE1 TYR A 89 8.592 -9.495 -15.135 1.00 0.00 C ATOM 1007 CE2 TYR A 89 10.624 -8.991 -16.290 1.00 0.00 C ATOM 1008 CZ TYR A 89 9.444 -9.686 -16.204 1.00 0.00 C ATOM 1009 OH TYR A 89 9.106 -10.578 -17.195 1.00 0.00 O ATOM 0 H TYR A 89 9.392 -7.702 -10.781 1.00 0.00 H new ATOM 0 HA TYR A 89 12.030 -7.954 -12.087 1.00 0.00 H new ATOM 0 HB2 TYR A 89 9.577 -6.276 -12.886 1.00 0.00 H new ATOM 0 HB3 TYR A 89 11.160 -6.085 -13.613 1.00 0.00 H new ATOM 0 HD1 TYR A 89 8.274 -8.451 -13.306 1.00 0.00 H new ATOM 0 HD2 TYR A 89 11.887 -7.538 -15.392 1.00 0.00 H new ATOM 0 HE1 TYR A 89 7.665 -10.045 -15.072 1.00 0.00 H new ATOM 0 HE2 TYR A 89 11.288 -9.155 -17.126 1.00 0.00 H new ATOM 0 HH TYR A 89 8.975 -11.467 -16.804 1.00 0.00 H new ATOM 1019 N LYS A 90 12.627 -5.467 -11.473 1.00 0.00 N ATOM 1020 CA LYS A 90 13.077 -4.156 -10.975 1.00 0.00 C ATOM 1021 C LYS A 90 12.767 -3.074 -12.028 1.00 0.00 C ATOM 1022 O LYS A 90 12.507 -3.395 -13.195 1.00 0.00 O ATOM 1023 CB LYS A 90 14.601 -4.192 -10.671 1.00 0.00 C ATOM 1024 CG LYS A 90 15.005 -5.122 -9.508 1.00 0.00 C ATOM 1025 CD LYS A 90 14.407 -4.673 -8.157 1.00 0.00 C ATOM 1026 CE LYS A 90 14.911 -5.524 -6.984 1.00 0.00 C ATOM 1027 NZ LYS A 90 14.414 -5.025 -5.681 1.00 0.00 N ATOM 0 H LYS A 90 13.207 -5.823 -12.233 1.00 0.00 H new ATOM 0 HA LYS A 90 12.547 -3.920 -10.052 1.00 0.00 H new ATOM 0 HB2 LYS A 90 15.130 -4.507 -11.571 1.00 0.00 H new ATOM 0 HB3 LYS A 90 14.936 -3.180 -10.442 1.00 0.00 H new ATOM 0 HG2 LYS A 90 14.676 -6.138 -9.728 1.00 0.00 H new ATOM 0 HG3 LYS A 90 16.092 -5.149 -9.430 1.00 0.00 H new ATOM 0 HD2 LYS A 90 14.661 -3.628 -7.980 1.00 0.00 H new ATOM 0 HD3 LYS A 90 13.320 -4.733 -8.206 1.00 0.00 H new ATOM 0 HE2 LYS A 90 14.591 -6.557 -7.122 1.00 0.00 H new ATOM 0 HE3 LYS A 90 16.001 -5.525 -6.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 14.764 -5.638 -4.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 14.754 -4.054 -5.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 13.374 -5.032 -5.681 1.00 0.00 H new ATOM 1041 N ALA A 91 12.786 -1.804 -11.597 1.00 0.00 N ATOM 1042 CA ALA A 91 12.520 -0.647 -12.478 1.00 0.00 C ATOM 1043 C ALA A 91 13.834 -0.166 -13.137 1.00 0.00 C ATOM 1044 O ALA A 91 14.671 0.436 -12.432 1.00 0.00 O ATOM 1045 CB ALA A 91 11.824 0.488 -11.689 1.00 0.00 C ATOM 1046 OXT ALA A 91 14.039 -0.411 -14.347 1.00 0.00 O ATOM 0 H ALA A 91 12.985 -1.546 -10.631 1.00 0.00 H new ATOM 0 HA ALA A 91 11.841 -0.953 -13.274 1.00 0.00 H new ATOM 0 HB1 ALA A 91 11.636 1.331 -12.354 1.00 0.00 H new ATOM 0 HB2 ALA A 91 10.878 0.125 -11.287 1.00 0.00 H new ATOM 0 HB3 ALA A 91 12.467 0.809 -10.869 1.00 0.00 H new