USER MOD reduce.3.24.130724 H: found=0, std=0, add=415, rem=0, adj=17 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 Set 1.1: A 49 MET CE :methyl -151:sc= -1.34 (180deg=-1.89) USER MOD Set 1.2: A 64 CYS SG : rot 171:sc= -1.05 USER MOD Set 1.3: A 77 SER OG : rot -1:sc= -0.153 USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -131:sc= 1.22 (180deg=-0.959) USER MOD Single : A 34 ASN : amide:sc= -2.01 K(o=-2,f=-3.1!) USER MOD Single : A 35 THR OG1 : rot 180:sc= 1.19 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.0415 USER MOD Single : A 46 SER OG : rot 99:sc= 0.0347 USER MOD Single : A 48 GLN : amide:sc= -0.037 K(o=-0.037,f=-0.65) USER MOD Single : A 50 GLN : amide:sc= -4.41! C(o=-4.4!,f=-5.2!) USER MOD Single : A 51 THR OG1 : rot 72:sc= 1.21 USER MOD Single : A 54 SER OG : rot -40:sc= 0.244 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= -1.14 K(o=-1.1,f=0) USER MOD Single : A 78 LYS NZ :NH3+ -124:sc= 0.0849 (180deg=0) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 15 N VAL A 26 -2.800 3.633 -11.463 1.00 0.00 N ATOM 16 CA VAL A 26 -1.951 4.148 -10.396 1.00 0.00 C ATOM 17 C VAL A 26 -1.223 3.015 -9.678 1.00 0.00 C ATOM 18 O VAL A 26 -1.852 2.117 -9.118 1.00 0.00 O ATOM 19 CB VAL A 26 -2.767 4.952 -9.365 1.00 0.00 C ATOM 20 CG1 VAL A 26 -1.843 5.668 -8.392 1.00 0.00 C ATOM 21 CG2 VAL A 26 -3.686 5.942 -10.065 1.00 0.00 C ATOM 0 HA VAL A 26 -1.221 4.808 -10.864 1.00 0.00 H new ATOM 0 HB VAL A 26 -3.385 4.256 -8.797 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.438 6.230 -7.672 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -1.232 4.936 -7.865 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.196 6.352 -8.941 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -4.254 6.500 -9.321 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -3.090 6.634 -10.660 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -4.374 5.402 -10.716 1.00 0.00 H new ATOM 31 N MET A 27 0.104 3.064 -9.701 1.00 0.00 N ATOM 32 CA MET A 27 0.918 2.042 -9.052 1.00 0.00 C ATOM 33 C MET A 27 1.180 2.399 -7.595 1.00 0.00 C ATOM 34 O MET A 27 1.330 3.570 -7.247 1.00 0.00 O ATOM 35 CB MET A 27 2.242 1.861 -9.797 1.00 0.00 C ATOM 36 CG MET A 27 2.099 1.894 -11.310 1.00 0.00 C ATOM 37 SD MET A 27 3.496 1.129 -12.156 1.00 0.00 S ATOM 38 CE MET A 27 2.742 -0.380 -12.758 1.00 0.00 C ATOM 0 H MET A 27 0.639 3.800 -10.162 1.00 0.00 H new ATOM 0 HA MET A 27 0.366 1.102 -9.081 1.00 0.00 H new ATOM 0 HB2 MET A 27 2.933 2.646 -9.489 1.00 0.00 H new ATOM 0 HB3 MET A 27 2.687 0.911 -9.503 1.00 0.00 H new ATOM 0 HG2 MET A 27 1.181 1.381 -11.596 1.00 0.00 H new ATOM 0 HG3 MET A 27 2.002 2.928 -11.640 1.00 0.00 H new ATOM 0 HE1 MET A 27 3.483 -0.964 -13.305 1.00 0.00 H new ATOM 0 HE2 MET A 27 2.371 -0.963 -11.915 1.00 0.00 H new ATOM 0 HE3 MET A 27 1.913 -0.133 -13.421 1.00 0.00 H new ATOM 48 N TRP A 28 1.223 1.379 -6.745 1.00 0.00 N ATOM 49 CA TRP A 28 1.457 1.578 -5.318 1.00 0.00 C ATOM 50 C TRP A 28 2.487 0.586 -4.781 1.00 0.00 C ATOM 51 O TRP A 28 3.092 -0.169 -5.540 1.00 0.00 O ATOM 52 CB TRP A 28 0.144 1.427 -4.546 1.00 0.00 C ATOM 53 CG TRP A 28 -0.874 2.471 -4.888 1.00 0.00 C ATOM 54 CD1 TRP A 28 -1.530 2.619 -6.075 1.00 0.00 C ATOM 55 CD2 TRP A 28 -1.355 3.511 -4.029 1.00 0.00 C ATOM 56 NE1 TRP A 28 -2.391 3.689 -6.008 1.00 0.00 N ATOM 57 CE2 TRP A 28 -2.301 4.252 -4.762 1.00 0.00 C ATOM 58 CE3 TRP A 28 -1.078 3.888 -2.712 1.00 0.00 C ATOM 59 CZ2 TRP A 28 -2.970 5.347 -4.221 1.00 0.00 C ATOM 60 CZ3 TRP A 28 -1.742 4.975 -2.177 1.00 0.00 C ATOM 61 CH2 TRP A 28 -2.679 5.693 -2.929 1.00 0.00 C ATOM 0 H TRP A 28 1.099 0.404 -7.019 1.00 0.00 H new ATOM 0 HA TRP A 28 1.849 2.586 -5.179 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -0.276 0.442 -4.748 1.00 0.00 H new ATOM 0 HB3 TRP A 28 0.353 1.471 -3.477 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -1.393 1.988 -6.941 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -2.997 4.011 -6.762 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -0.358 3.339 -2.123 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -3.692 5.903 -4.800 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -1.534 5.276 -1.161 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -3.182 6.537 -2.481 1.00 0.00 H new ATOM 72 N GLU A 29 2.673 0.600 -3.464 1.00 0.00 N ATOM 73 CA GLU A 29 3.613 -0.294 -2.795 1.00 0.00 C ATOM 74 C GLU A 29 3.207 -0.465 -1.334 1.00 0.00 C ATOM 75 O GLU A 29 2.664 0.458 -0.730 1.00 0.00 O ATOM 76 CB GLU A 29 5.043 0.248 -2.889 1.00 0.00 C ATOM 77 CG GLU A 29 5.161 1.727 -2.560 1.00 0.00 C ATOM 78 CD GLU A 29 6.511 2.302 -2.944 1.00 0.00 C ATOM 79 OE1 GLU A 29 7.216 1.669 -3.758 1.00 0.00 O ATOM 80 OE2 GLU A 29 6.864 3.385 -2.432 1.00 0.00 O ATOM 0 H GLU A 29 2.178 1.229 -2.832 1.00 0.00 H new ATOM 0 HA GLU A 29 3.587 -1.264 -3.292 1.00 0.00 H new ATOM 0 HB2 GLU A 29 5.681 -0.318 -2.210 1.00 0.00 H new ATOM 0 HB3 GLU A 29 5.420 0.078 -3.897 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.375 2.275 -3.080 1.00 0.00 H new ATOM 0 HG3 GLU A 29 4.998 1.872 -1.492 1.00 0.00 H new ATOM 87 N TYR A 30 3.448 -1.647 -0.771 1.00 0.00 N ATOM 88 CA TYR A 30 3.074 -1.910 0.616 1.00 0.00 C ATOM 89 C TYR A 30 4.240 -2.478 1.421 1.00 0.00 C ATOM 90 O TYR A 30 5.041 -3.261 0.914 1.00 0.00 O ATOM 91 CB TYR A 30 1.894 -2.883 0.664 1.00 0.00 C ATOM 92 CG TYR A 30 2.231 -4.274 0.175 1.00 0.00 C ATOM 93 CD1 TYR A 30 2.850 -5.194 1.011 1.00 0.00 C ATOM 94 CD2 TYR A 30 1.933 -4.666 -1.124 1.00 0.00 C ATOM 95 CE1 TYR A 30 3.161 -6.466 0.569 1.00 0.00 C ATOM 96 CE2 TYR A 30 2.240 -5.937 -1.575 1.00 0.00 C ATOM 97 CZ TYR A 30 2.855 -6.832 -0.725 1.00 0.00 C ATOM 98 OH TYR A 30 3.163 -8.096 -1.169 1.00 0.00 O ATOM 0 H TYR A 30 3.896 -2.430 -1.248 1.00 0.00 H new ATOM 0 HA TYR A 30 2.788 -0.959 1.065 1.00 0.00 H new ATOM 0 HB2 TYR A 30 1.529 -2.947 1.689 1.00 0.00 H new ATOM 0 HB3 TYR A 30 1.080 -2.483 0.060 1.00 0.00 H new ATOM 0 HD1 TYR A 30 3.093 -4.910 2.024 1.00 0.00 H new ATOM 0 HD2 TYR A 30 1.454 -3.967 -1.793 1.00 0.00 H new ATOM 0 HE1 TYR A 30 3.641 -7.169 1.233 1.00 0.00 H new ATOM 0 HE2 TYR A 30 1.999 -6.227 -2.587 1.00 0.00 H new ATOM 0 HH TYR A 30 2.880 -8.193 -2.102 1.00 0.00 H new ATOM 108 N LYS A 31 4.307 -2.085 2.690 1.00 0.00 N ATOM 109 CA LYS A 31 5.348 -2.558 3.591 1.00 0.00 C ATOM 110 C LYS A 31 4.715 -3.156 4.844 1.00 0.00 C ATOM 111 O LYS A 31 4.053 -2.455 5.609 1.00 0.00 O ATOM 112 CB LYS A 31 6.295 -1.418 3.973 1.00 0.00 C ATOM 113 CG LYS A 31 7.509 -1.871 4.766 1.00 0.00 C ATOM 114 CD LYS A 31 8.628 -0.843 4.702 1.00 0.00 C ATOM 115 CE LYS A 31 8.502 0.190 5.809 1.00 0.00 C ATOM 116 NZ LYS A 31 9.568 1.228 5.728 1.00 0.00 N ATOM 0 H LYS A 31 3.647 -1.436 3.118 1.00 0.00 H new ATOM 0 HA LYS A 31 5.927 -3.326 3.079 1.00 0.00 H new ATOM 0 HB2 LYS A 31 6.631 -0.918 3.065 1.00 0.00 H new ATOM 0 HB3 LYS A 31 5.745 -0.681 4.558 1.00 0.00 H new ATOM 0 HG2 LYS A 31 7.225 -2.038 5.805 1.00 0.00 H new ATOM 0 HG3 LYS A 31 7.866 -2.824 4.376 1.00 0.00 H new ATOM 0 HD2 LYS A 31 9.591 -1.347 4.782 1.00 0.00 H new ATOM 0 HD3 LYS A 31 8.609 -0.343 3.733 1.00 0.00 H new ATOM 0 HE2 LYS A 31 7.525 0.669 5.749 1.00 0.00 H new ATOM 0 HE3 LYS A 31 8.554 -0.308 6.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 10.007 1.348 6.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 10.290 0.931 5.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 9.151 2.131 5.423 1.00 0.00 H new ATOM 130 N TRP A 32 4.909 -4.454 5.042 1.00 0.00 N ATOM 131 CA TRP A 32 4.344 -5.145 6.196 1.00 0.00 C ATOM 132 C TRP A 32 4.748 -4.457 7.493 1.00 0.00 C ATOM 133 O TRP A 32 3.905 -4.142 8.332 1.00 0.00 O ATOM 134 CB TRP A 32 4.806 -6.603 6.218 1.00 0.00 C ATOM 135 CG TRP A 32 4.359 -7.387 5.022 1.00 0.00 C ATOM 136 CD1 TRP A 32 5.147 -7.866 4.014 1.00 0.00 C ATOM 137 CD2 TRP A 32 3.019 -7.783 4.708 1.00 0.00 C ATOM 138 NE1 TRP A 32 4.378 -8.536 3.093 1.00 0.00 N ATOM 139 CE2 TRP A 32 3.069 -8.500 3.497 1.00 0.00 C ATOM 140 CE3 TRP A 32 1.783 -7.604 5.334 1.00 0.00 C ATOM 141 CZ2 TRP A 32 1.930 -9.035 2.900 1.00 0.00 C ATOM 142 CZ3 TRP A 32 0.653 -8.134 4.741 1.00 0.00 C ATOM 143 CH2 TRP A 32 0.733 -8.843 3.535 1.00 0.00 C ATOM 0 H TRP A 32 5.453 -5.050 4.419 1.00 0.00 H new ATOM 0 HA TRP A 32 3.258 -5.113 6.111 1.00 0.00 H new ATOM 0 HB2 TRP A 32 5.894 -6.631 6.275 1.00 0.00 H new ATOM 0 HB3 TRP A 32 4.427 -7.083 7.120 1.00 0.00 H new ATOM 0 HD1 TRP A 32 6.217 -7.737 3.950 1.00 0.00 H new ATOM 0 HE1 TRP A 32 4.725 -8.987 2.246 1.00 0.00 H new ATOM 0 HE3 TRP A 32 1.712 -7.061 6.265 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 1.989 -9.581 1.970 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -0.308 -8.000 5.215 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -0.168 -9.246 3.098 1.00 0.00 H new ATOM 154 N GLU A 33 6.044 -4.226 7.645 1.00 0.00 N ATOM 155 CA GLU A 33 6.570 -3.574 8.838 1.00 0.00 C ATOM 156 C GLU A 33 6.519 -2.056 8.690 1.00 0.00 C ATOM 157 O GLU A 33 6.115 -1.537 7.650 1.00 0.00 O ATOM 158 CB GLU A 33 8.004 -4.030 9.102 1.00 0.00 C ATOM 159 CG GLU A 33 8.117 -5.502 9.462 1.00 0.00 C ATOM 160 CD GLU A 33 7.220 -5.892 10.621 1.00 0.00 C ATOM 161 OE1 GLU A 33 7.258 -5.198 11.659 1.00 0.00 O ATOM 162 OE2 GLU A 33 6.480 -6.888 10.490 1.00 0.00 O ATOM 0 H GLU A 33 6.752 -4.480 6.957 1.00 0.00 H new ATOM 0 HA GLU A 33 5.948 -3.859 9.687 1.00 0.00 H new ATOM 0 HB2 GLU A 33 8.608 -3.834 8.216 1.00 0.00 H new ATOM 0 HB3 GLU A 33 8.423 -3.433 9.912 1.00 0.00 H new ATOM 0 HG2 GLU A 33 7.861 -6.105 8.591 1.00 0.00 H new ATOM 0 HG3 GLU A 33 9.152 -5.731 9.716 1.00 0.00 H new ATOM 169 N ASN A 34 6.931 -1.348 9.737 1.00 0.00 N ATOM 170 CA ASN A 34 6.930 0.111 9.720 1.00 0.00 C ATOM 171 C ASN A 34 8.260 0.660 10.228 1.00 0.00 C ATOM 172 O ASN A 34 8.294 1.619 10.999 1.00 0.00 O ATOM 173 CB ASN A 34 5.780 0.653 10.572 1.00 0.00 C ATOM 174 CG ASN A 34 4.466 -0.049 10.286 1.00 0.00 C ATOM 175 OD1 ASN A 34 4.027 -0.125 9.138 1.00 0.00 O ATOM 176 ND2 ASN A 34 3.831 -0.565 11.332 1.00 0.00 N ATOM 0 H ASN A 34 7.269 -1.760 10.607 1.00 0.00 H new ATOM 0 HA ASN A 34 6.792 0.438 8.689 1.00 0.00 H new ATOM 0 HB2 ASN A 34 6.028 0.538 11.627 1.00 0.00 H new ATOM 0 HB3 ASN A 34 5.666 1.721 10.386 1.00 0.00 H new ATOM 0 HD21 ASN A 34 2.942 -1.048 11.202 1.00 0.00 H new ATOM 0 HD22 ASN A 34 4.232 -0.478 12.266 1.00 0.00 H new ATOM 183 N THR A 35 9.352 0.044 9.789 1.00 0.00 N ATOM 184 CA THR A 35 10.685 0.468 10.200 1.00 0.00 C ATOM 185 C THR A 35 11.393 1.207 9.070 1.00 0.00 C ATOM 186 O THR A 35 10.856 1.339 7.970 1.00 0.00 O ATOM 187 CB THR A 35 11.523 -0.740 10.628 1.00 0.00 C ATOM 188 OG1 THR A 35 12.174 -1.324 9.513 1.00 0.00 O ATOM 189 CG2 THR A 35 10.714 -1.823 11.302 1.00 0.00 C ATOM 0 H THR A 35 9.340 -0.750 9.149 1.00 0.00 H new ATOM 0 HA THR A 35 10.574 1.145 11.047 1.00 0.00 H new ATOM 0 HB THR A 35 12.244 -0.347 11.345 1.00 0.00 H new ATOM 0 HG1 THR A 35 12.705 -2.093 9.810 1.00 0.00 H new ATOM 0 HG21 THR A 35 11.370 -2.648 11.579 1.00 0.00 H new ATOM 0 HG22 THR A 35 10.241 -1.420 12.197 1.00 0.00 H new ATOM 0 HG23 THR A 35 9.947 -2.184 10.617 1.00 0.00 H new ATOM 197 N GLY A 36 12.605 1.672 9.345 1.00 0.00 N ATOM 198 CA GLY A 36 13.373 2.377 8.336 1.00 0.00 C ATOM 199 C GLY A 36 14.236 1.438 7.512 1.00 0.00 C ATOM 200 O GLY A 36 15.086 1.882 6.740 1.00 0.00 O ATOM 0 H GLY A 36 13.070 1.574 10.248 1.00 0.00 H new ATOM 0 HA2 GLY A 36 12.694 2.917 7.676 1.00 0.00 H new ATOM 0 HA3 GLY A 36 14.007 3.121 8.818 1.00 0.00 H new ATOM 204 N ASP A 37 14.018 0.135 7.682 1.00 0.00 N ATOM 205 CA ASP A 37 14.781 -0.872 6.953 1.00 0.00 C ATOM 206 C ASP A 37 13.856 -1.840 6.219 1.00 0.00 C ATOM 207 O ASP A 37 14.230 -2.405 5.191 1.00 0.00 O ATOM 208 CB ASP A 37 15.692 -1.643 7.912 1.00 0.00 C ATOM 209 CG ASP A 37 17.145 -1.234 7.781 1.00 0.00 C ATOM 210 OD1 ASP A 37 17.577 -0.930 6.650 1.00 0.00 O ATOM 211 OD2 ASP A 37 17.853 -1.219 8.810 1.00 0.00 O ATOM 0 H ASP A 37 13.319 -0.246 8.319 1.00 0.00 H new ATOM 0 HA ASP A 37 15.394 -0.359 6.212 1.00 0.00 H new ATOM 0 HB2 ASP A 37 15.361 -1.476 8.937 1.00 0.00 H new ATOM 0 HB3 ASP A 37 15.599 -2.711 7.717 1.00 0.00 H new ATOM 216 N ALA A 38 12.648 -2.031 6.753 1.00 0.00 N ATOM 217 CA ALA A 38 11.670 -2.934 6.149 1.00 0.00 C ATOM 218 C ALA A 38 11.624 -2.779 4.631 1.00 0.00 C ATOM 219 O ALA A 38 11.657 -1.664 4.111 1.00 0.00 O ATOM 220 CB ALA A 38 10.290 -2.686 6.741 1.00 0.00 C ATOM 0 H ALA A 38 12.325 -1.571 7.604 1.00 0.00 H new ATOM 0 HA ALA A 38 11.980 -3.955 6.371 1.00 0.00 H new ATOM 0 HB1 ALA A 38 9.570 -3.365 6.283 1.00 0.00 H new ATOM 0 HB2 ALA A 38 10.319 -2.860 7.817 1.00 0.00 H new ATOM 0 HB3 ALA A 38 9.991 -1.656 6.548 1.00 0.00 H new ATOM 226 N GLU A 39 11.543 -3.903 3.928 1.00 0.00 N ATOM 227 CA GLU A 39 11.488 -3.889 2.474 1.00 0.00 C ATOM 228 C GLU A 39 10.244 -3.154 1.995 1.00 0.00 C ATOM 229 O GLU A 39 9.471 -2.632 2.798 1.00 0.00 O ATOM 230 CB GLU A 39 11.500 -5.319 1.928 1.00 0.00 C ATOM 231 CG GLU A 39 12.795 -5.690 1.225 1.00 0.00 C ATOM 232 CD GLU A 39 13.037 -4.863 -0.022 1.00 0.00 C ATOM 233 OE1 GLU A 39 12.251 -4.994 -0.983 1.00 0.00 O ATOM 234 OE2 GLU A 39 14.014 -4.083 -0.037 1.00 0.00 O ATOM 0 H GLU A 39 11.514 -4.834 4.343 1.00 0.00 H new ATOM 0 HA GLU A 39 12.367 -3.364 2.100 1.00 0.00 H new ATOM 0 HB2 GLU A 39 11.330 -6.014 2.750 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.670 -5.440 1.231 1.00 0.00 H new ATOM 0 HG2 GLU A 39 13.629 -5.556 1.913 1.00 0.00 H new ATOM 0 HG3 GLU A 39 12.769 -6.746 0.957 1.00 0.00 H new ATOM 241 N LEU A 40 10.056 -3.116 0.683 1.00 0.00 N ATOM 242 CA LEU A 40 8.903 -2.442 0.100 1.00 0.00 C ATOM 243 C LEU A 40 8.438 -3.144 -1.169 1.00 0.00 C ATOM 244 O LEU A 40 9.156 -3.194 -2.168 1.00 0.00 O ATOM 245 CB LEU A 40 9.236 -0.981 -0.200 1.00 0.00 C ATOM 246 CG LEU A 40 8.813 0.010 0.886 1.00 0.00 C ATOM 247 CD1 LEU A 40 10.016 0.448 1.706 1.00 0.00 C ATOM 248 CD2 LEU A 40 8.116 1.214 0.272 1.00 0.00 C ATOM 0 H LEU A 40 10.685 -3.543 0.003 1.00 0.00 H new ATOM 0 HA LEU A 40 8.091 -2.480 0.826 1.00 0.00 H new ATOM 0 HB2 LEU A 40 10.311 -0.892 -0.354 1.00 0.00 H new ATOM 0 HB3 LEU A 40 8.756 -0.699 -1.137 1.00 0.00 H new ATOM 0 HG LEU A 40 8.108 -0.490 1.550 1.00 0.00 H new ATOM 0 HD11 LEU A 40 9.696 1.153 2.474 1.00 0.00 H new ATOM 0 HD12 LEU A 40 10.470 -0.423 2.179 1.00 0.00 H new ATOM 0 HD13 LEU A 40 10.745 0.928 1.054 1.00 0.00 H new ATOM 0 HD21 LEU A 40 7.823 1.907 1.061 1.00 0.00 H new ATOM 0 HD22 LEU A 40 8.795 1.715 -0.417 1.00 0.00 H new ATOM 0 HD23 LEU A 40 7.229 0.884 -0.269 1.00 0.00 H new ATOM 260 N TYR A 41 7.225 -3.678 -1.118 1.00 0.00 N ATOM 261 CA TYR A 41 6.640 -4.372 -2.257 1.00 0.00 C ATOM 262 C TYR A 41 5.342 -3.697 -2.668 1.00 0.00 C ATOM 263 O TYR A 41 5.120 -2.529 -2.360 1.00 0.00 O ATOM 264 CB TYR A 41 6.379 -5.844 -1.916 1.00 0.00 C ATOM 265 CG TYR A 41 7.253 -6.386 -0.807 1.00 0.00 C ATOM 266 CD1 TYR A 41 7.024 -6.038 0.518 1.00 0.00 C ATOM 267 CD2 TYR A 41 8.308 -7.246 -1.086 1.00 0.00 C ATOM 268 CE1 TYR A 41 7.820 -6.534 1.533 1.00 0.00 C ATOM 269 CE2 TYR A 41 9.108 -7.746 -0.077 1.00 0.00 C ATOM 270 CZ TYR A 41 8.861 -7.386 1.231 1.00 0.00 C ATOM 271 OH TYR A 41 9.655 -7.883 2.239 1.00 0.00 O ATOM 0 H TYR A 41 6.624 -3.643 -0.295 1.00 0.00 H new ATOM 0 HA TYR A 41 7.345 -4.328 -3.087 1.00 0.00 H new ATOM 0 HB2 TYR A 41 5.334 -5.959 -1.629 1.00 0.00 H new ATOM 0 HB3 TYR A 41 6.532 -6.446 -2.812 1.00 0.00 H new ATOM 0 HD1 TYR A 41 6.211 -5.369 0.759 1.00 0.00 H new ATOM 0 HD2 TYR A 41 8.506 -7.528 -2.109 1.00 0.00 H new ATOM 0 HE1 TYR A 41 7.627 -6.255 2.559 1.00 0.00 H new ATOM 0 HE2 TYR A 41 9.923 -8.415 -0.311 1.00 0.00 H new ATOM 0 HH TYR A 41 10.341 -8.469 1.856 1.00 0.00 H new ATOM 281 N GLY A 42 4.485 -4.436 -3.359 1.00 0.00 N ATOM 282 CA GLY A 42 3.218 -3.890 -3.786 1.00 0.00 C ATOM 283 C GLY A 42 3.288 -3.076 -5.067 1.00 0.00 C ATOM 284 O GLY A 42 2.360 -2.321 -5.347 1.00 0.00 O ATOM 0 H GLY A 42 4.648 -5.406 -3.631 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.512 -4.708 -3.927 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.820 -3.260 -2.990 1.00 0.00 H new ATOM 288 N PRO A 43 4.354 -3.201 -5.887 1.00 0.00 N ATOM 289 CA PRO A 43 4.458 -2.442 -7.138 1.00 0.00 C ATOM 290 C PRO A 43 3.462 -2.928 -8.187 1.00 0.00 C ATOM 291 O PRO A 43 3.838 -3.260 -9.311 1.00 0.00 O ATOM 292 CB PRO A 43 5.892 -2.702 -7.597 1.00 0.00 C ATOM 293 CG PRO A 43 6.247 -4.016 -6.998 1.00 0.00 C ATOM 294 CD PRO A 43 5.521 -4.082 -5.682 1.00 0.00 C ATOM 0 HA PRO A 43 4.232 -1.385 -6.996 1.00 0.00 H new ATOM 0 HB2 PRO A 43 5.961 -2.731 -8.684 1.00 0.00 H new ATOM 0 HB3 PRO A 43 6.566 -1.916 -7.256 1.00 0.00 H new ATOM 0 HG2 PRO A 43 5.947 -4.836 -7.651 1.00 0.00 H new ATOM 0 HG3 PRO A 43 7.324 -4.101 -6.854 1.00 0.00 H new ATOM 0 HD2 PRO A 43 5.217 -5.101 -5.442 1.00 0.00 H new ATOM 0 HD3 PRO A 43 6.147 -3.734 -4.860 1.00 0.00 H new ATOM 302 N PHE A 44 2.192 -2.963 -7.805 1.00 0.00 N ATOM 303 CA PHE A 44 1.130 -3.404 -8.697 1.00 0.00 C ATOM 304 C PHE A 44 0.076 -2.313 -8.833 1.00 0.00 C ATOM 305 O PHE A 44 0.051 -1.361 -8.052 1.00 0.00 O ATOM 306 CB PHE A 44 0.498 -4.698 -8.174 1.00 0.00 C ATOM 307 CG PHE A 44 1.495 -5.653 -7.574 1.00 0.00 C ATOM 308 CD1 PHE A 44 1.913 -5.504 -6.261 1.00 0.00 C ATOM 309 CD2 PHE A 44 2.015 -6.698 -8.323 1.00 0.00 C ATOM 310 CE1 PHE A 44 2.830 -6.378 -5.707 1.00 0.00 C ATOM 311 CE2 PHE A 44 2.934 -7.574 -7.772 1.00 0.00 C ATOM 312 CZ PHE A 44 3.340 -7.412 -6.461 1.00 0.00 C ATOM 0 H PHE A 44 1.872 -2.689 -6.876 1.00 0.00 H new ATOM 0 HA PHE A 44 1.556 -3.603 -9.680 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -0.252 -4.449 -7.423 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -0.023 -5.195 -8.992 1.00 0.00 H new ATOM 0 HD1 PHE A 44 1.518 -4.696 -5.664 1.00 0.00 H new ATOM 0 HD2 PHE A 44 1.699 -6.830 -9.347 1.00 0.00 H new ATOM 0 HE1 PHE A 44 3.147 -6.250 -4.682 1.00 0.00 H new ATOM 0 HE2 PHE A 44 3.333 -8.383 -8.366 1.00 0.00 H new ATOM 0 HZ PHE A 44 4.056 -8.095 -6.028 1.00 0.00 H new ATOM 322 N THR A 45 -0.788 -2.450 -9.829 1.00 0.00 N ATOM 323 CA THR A 45 -1.838 -1.465 -10.066 1.00 0.00 C ATOM 324 C THR A 45 -2.717 -1.301 -8.834 1.00 0.00 C ATOM 325 O THR A 45 -2.978 -2.264 -8.113 1.00 0.00 O ATOM 326 CB THR A 45 -2.693 -1.879 -11.264 1.00 0.00 C ATOM 327 OG1 THR A 45 -3.515 -2.986 -10.935 1.00 0.00 O ATOM 328 CG2 THR A 45 -1.878 -2.259 -12.481 1.00 0.00 C ATOM 0 H THR A 45 -0.784 -3.231 -10.485 1.00 0.00 H new ATOM 0 HA THR A 45 -1.362 -0.508 -10.281 1.00 0.00 H new ATOM 0 HB THR A 45 -3.291 -1.001 -11.508 1.00 0.00 H new ATOM 0 HG1 THR A 45 -4.056 -3.235 -11.714 1.00 0.00 H new ATOM 0 HG21 THR A 45 -2.547 -2.542 -13.293 1.00 0.00 H new ATOM 0 HG22 THR A 45 -1.270 -1.409 -12.791 1.00 0.00 H new ATOM 0 HG23 THR A 45 -1.229 -3.100 -12.236 1.00 0.00 H new ATOM 336 N SER A 46 -3.182 -0.074 -8.600 1.00 0.00 N ATOM 337 CA SER A 46 -4.046 0.212 -7.458 1.00 0.00 C ATOM 338 C SER A 46 -5.155 -0.830 -7.365 1.00 0.00 C ATOM 339 O SER A 46 -5.630 -1.159 -6.278 1.00 0.00 O ATOM 340 CB SER A 46 -4.651 1.611 -7.583 1.00 0.00 C ATOM 341 OG SER A 46 -5.222 2.031 -6.356 1.00 0.00 O ATOM 0 H SER A 46 -2.975 0.735 -9.185 1.00 0.00 H new ATOM 0 HA SER A 46 -3.445 0.172 -6.550 1.00 0.00 H new ATOM 0 HB2 SER A 46 -3.880 2.318 -7.890 1.00 0.00 H new ATOM 0 HB3 SER A 46 -5.413 1.613 -8.362 1.00 0.00 H new ATOM 0 HG SER A 46 -4.596 2.623 -5.889 1.00 0.00 H new ATOM 347 N ALA A 47 -5.545 -1.356 -8.522 1.00 0.00 N ATOM 348 CA ALA A 47 -6.579 -2.372 -8.596 1.00 0.00 C ATOM 349 C ALA A 47 -6.107 -3.660 -7.932 1.00 0.00 C ATOM 350 O ALA A 47 -6.849 -4.295 -7.183 1.00 0.00 O ATOM 351 CB ALA A 47 -6.950 -2.625 -10.049 1.00 0.00 C ATOM 0 H ALA A 47 -5.154 -1.090 -9.426 1.00 0.00 H new ATOM 0 HA ALA A 47 -7.462 -2.018 -8.064 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -7.726 -3.388 -10.099 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -7.319 -1.702 -10.496 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -6.070 -2.966 -10.595 1.00 0.00 H new ATOM 357 N GLN A 48 -4.861 -4.036 -8.210 1.00 0.00 N ATOM 358 CA GLN A 48 -4.282 -5.243 -7.637 1.00 0.00 C ATOM 359 C GLN A 48 -4.063 -5.077 -6.137 1.00 0.00 C ATOM 360 O GLN A 48 -4.066 -6.052 -5.382 1.00 0.00 O ATOM 361 CB GLN A 48 -2.956 -5.571 -8.329 1.00 0.00 C ATOM 362 CG GLN A 48 -2.557 -7.034 -8.220 1.00 0.00 C ATOM 363 CD GLN A 48 -3.427 -7.940 -9.069 1.00 0.00 C ATOM 364 OE1 GLN A 48 -3.807 -7.588 -10.185 1.00 0.00 O ATOM 365 NE2 GLN A 48 -3.747 -9.116 -8.543 1.00 0.00 N ATOM 0 H GLN A 48 -4.235 -3.521 -8.829 1.00 0.00 H new ATOM 0 HA GLN A 48 -4.979 -6.067 -7.794 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -3.029 -5.301 -9.382 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -2.168 -4.955 -7.896 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -1.516 -7.147 -8.524 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -2.620 -7.348 -7.178 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -3.410 -9.368 -7.614 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -4.330 -9.768 -9.068 1.00 0.00 H new ATOM 374 N MET A 49 -3.890 -3.831 -5.709 1.00 0.00 N ATOM 375 CA MET A 49 -3.684 -3.528 -4.300 1.00 0.00 C ATOM 376 C MET A 49 -5.000 -3.627 -3.542 1.00 0.00 C ATOM 377 O MET A 49 -5.078 -4.260 -2.490 1.00 0.00 O ATOM 378 CB MET A 49 -3.089 -2.128 -4.135 1.00 0.00 C ATOM 379 CG MET A 49 -1.569 -2.104 -4.168 1.00 0.00 C ATOM 380 SD MET A 49 -0.828 -3.118 -2.875 1.00 0.00 S ATOM 381 CE MET A 49 -1.868 -2.704 -1.477 1.00 0.00 C ATOM 0 H MET A 49 -3.889 -3.014 -6.320 1.00 0.00 H new ATOM 0 HA MET A 49 -2.984 -4.256 -3.890 1.00 0.00 H new ATOM 0 HB2 MET A 49 -3.471 -1.484 -4.927 1.00 0.00 H new ATOM 0 HB3 MET A 49 -3.430 -1.707 -3.189 1.00 0.00 H new ATOM 0 HG2 MET A 49 -1.225 -2.455 -5.141 1.00 0.00 H new ATOM 0 HG3 MET A 49 -1.224 -1.076 -4.060 1.00 0.00 H new ATOM 0 HE1 MET A 49 -1.294 -2.801 -0.555 1.00 0.00 H new ATOM 0 HE2 MET A 49 -2.222 -1.678 -1.578 1.00 0.00 H new ATOM 0 HE3 MET A 49 -2.722 -3.381 -1.446 1.00 0.00 H new ATOM 391 N GLN A 50 -6.037 -3.004 -4.094 1.00 0.00 N ATOM 392 CA GLN A 50 -7.357 -3.029 -3.479 1.00 0.00 C ATOM 393 C GLN A 50 -7.842 -4.468 -3.333 1.00 0.00 C ATOM 394 O GLN A 50 -8.558 -4.802 -2.389 1.00 0.00 O ATOM 395 CB GLN A 50 -8.347 -2.217 -4.320 1.00 0.00 C ATOM 396 CG GLN A 50 -9.785 -2.301 -3.832 1.00 0.00 C ATOM 397 CD GLN A 50 -9.914 -2.063 -2.340 1.00 0.00 C ATOM 398 OE1 GLN A 50 -9.083 -1.387 -1.734 1.00 0.00 O ATOM 399 NE2 GLN A 50 -10.959 -2.620 -1.739 1.00 0.00 N ATOM 0 H GLN A 50 -5.987 -2.476 -4.966 1.00 0.00 H new ATOM 0 HA GLN A 50 -7.291 -2.581 -2.488 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -8.035 -1.173 -4.323 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -8.303 -2.565 -5.352 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -10.389 -1.567 -4.366 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -10.190 -3.284 -4.075 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -11.624 -3.173 -2.280 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -11.097 -2.495 -0.736 1.00 0.00 H new ATOM 408 N THR A 51 -7.431 -5.319 -4.270 1.00 0.00 N ATOM 409 CA THR A 51 -7.809 -6.723 -4.243 1.00 0.00 C ATOM 410 C THR A 51 -7.191 -7.412 -3.032 1.00 0.00 C ATOM 411 O THR A 51 -7.893 -8.023 -2.225 1.00 0.00 O ATOM 412 CB THR A 51 -7.363 -7.422 -5.528 1.00 0.00 C ATOM 413 OG1 THR A 51 -7.927 -6.790 -6.664 1.00 0.00 O ATOM 414 CG2 THR A 51 -7.747 -8.885 -5.579 1.00 0.00 C ATOM 0 H THR A 51 -6.836 -5.057 -5.056 1.00 0.00 H new ATOM 0 HA THR A 51 -8.895 -6.787 -4.170 1.00 0.00 H new ATOM 0 HB THR A 51 -6.275 -7.349 -5.534 1.00 0.00 H new ATOM 0 HG1 THR A 51 -7.496 -5.921 -6.803 1.00 0.00 H new ATOM 0 HG21 THR A 51 -7.401 -9.320 -6.517 1.00 0.00 H new ATOM 0 HG22 THR A 51 -7.287 -9.411 -4.743 1.00 0.00 H new ATOM 0 HG23 THR A 51 -8.831 -8.979 -5.514 1.00 0.00 H new ATOM 422 N TRP A 52 -5.870 -7.300 -2.905 1.00 0.00 N ATOM 423 CA TRP A 52 -5.159 -7.902 -1.785 1.00 0.00 C ATOM 424 C TRP A 52 -5.686 -7.356 -0.463 1.00 0.00 C ATOM 425 O TRP A 52 -5.903 -8.105 0.490 1.00 0.00 O ATOM 426 CB TRP A 52 -3.661 -7.631 -1.904 1.00 0.00 C ATOM 427 CG TRP A 52 -2.967 -8.544 -2.867 1.00 0.00 C ATOM 428 CD1 TRP A 52 -3.024 -9.908 -2.891 1.00 0.00 C ATOM 429 CD2 TRP A 52 -2.113 -8.157 -3.947 1.00 0.00 C ATOM 430 NE1 TRP A 52 -2.255 -10.392 -3.922 1.00 0.00 N ATOM 431 CE2 TRP A 52 -1.685 -9.337 -4.585 1.00 0.00 C ATOM 432 CE3 TRP A 52 -1.667 -6.927 -4.437 1.00 0.00 C ATOM 433 CZ2 TRP A 52 -0.835 -9.321 -5.688 1.00 0.00 C ATOM 434 CZ3 TRP A 52 -0.824 -6.912 -5.530 1.00 0.00 C ATOM 435 CH2 TRP A 52 -0.415 -8.102 -6.145 1.00 0.00 C ATOM 0 H TRP A 52 -5.274 -6.799 -3.564 1.00 0.00 H new ATOM 0 HA TRP A 52 -5.326 -8.979 -1.808 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -3.510 -6.599 -2.220 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -3.201 -7.734 -0.921 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -3.590 -10.517 -2.201 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -2.129 -11.377 -4.156 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -1.976 -6.004 -3.969 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -0.519 -10.237 -6.165 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -0.474 -5.967 -5.917 1.00 0.00 H new ATOM 0 HH2 TRP A 52 0.246 -8.056 -6.998 1.00 0.00 H new ATOM 446 N VAL A 53 -5.898 -6.045 -0.419 1.00 0.00 N ATOM 447 CA VAL A 53 -6.410 -5.390 0.778 1.00 0.00 C ATOM 448 C VAL A 53 -7.827 -5.860 1.084 1.00 0.00 C ATOM 449 O VAL A 53 -8.154 -6.190 2.224 1.00 0.00 O ATOM 450 CB VAL A 53 -6.403 -3.857 0.621 1.00 0.00 C ATOM 451 CG1 VAL A 53 -6.905 -3.177 1.887 1.00 0.00 C ATOM 452 CG2 VAL A 53 -5.008 -3.366 0.261 1.00 0.00 C ATOM 0 H VAL A 53 -5.722 -5.414 -1.201 1.00 0.00 H new ATOM 0 HA VAL A 53 -5.753 -5.661 1.605 1.00 0.00 H new ATOM 0 HB VAL A 53 -7.081 -3.594 -0.191 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -6.890 -2.096 1.750 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -7.924 -3.502 2.095 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -6.261 -3.445 2.724 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -5.020 -2.281 0.154 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -4.309 -3.645 1.050 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -4.694 -3.820 -0.679 1.00 0.00 H new ATOM 462 N SER A 54 -8.663 -5.892 0.052 1.00 0.00 N ATOM 463 CA SER A 54 -10.046 -6.327 0.199 1.00 0.00 C ATOM 464 C SER A 54 -10.127 -7.844 0.340 1.00 0.00 C ATOM 465 O SER A 54 -11.047 -8.371 0.965 1.00 0.00 O ATOM 466 CB SER A 54 -10.877 -5.871 -1.001 1.00 0.00 C ATOM 467 OG SER A 54 -10.705 -6.745 -2.104 1.00 0.00 O ATOM 0 H SER A 54 -8.406 -5.621 -0.897 1.00 0.00 H new ATOM 0 HA SER A 54 -10.449 -5.873 1.105 1.00 0.00 H new ATOM 0 HB2 SER A 54 -11.931 -5.833 -0.724 1.00 0.00 H new ATOM 0 HB3 SER A 54 -10.586 -4.860 -1.286 1.00 0.00 H new ATOM 0 HG SER A 54 -9.765 -7.016 -2.163 1.00 0.00 H new ATOM 473 N GLU A 55 -9.160 -8.542 -0.247 1.00 0.00 N ATOM 474 CA GLU A 55 -9.123 -9.999 -0.187 1.00 0.00 C ATOM 475 C GLU A 55 -8.917 -10.480 1.247 1.00 0.00 C ATOM 476 O GLU A 55 -9.376 -11.558 1.622 1.00 0.00 O ATOM 477 CB GLU A 55 -8.008 -10.540 -1.084 1.00 0.00 C ATOM 478 CG GLU A 55 -8.448 -10.795 -2.516 1.00 0.00 C ATOM 479 CD GLU A 55 -9.401 -11.969 -2.632 1.00 0.00 C ATOM 480 OE1 GLU A 55 -8.947 -13.121 -2.470 1.00 0.00 O ATOM 481 OE2 GLU A 55 -10.602 -11.736 -2.885 1.00 0.00 O ATOM 0 H GLU A 55 -8.391 -8.122 -0.770 1.00 0.00 H new ATOM 0 HA GLU A 55 -10.081 -10.376 -0.544 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -7.180 -9.831 -1.088 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -7.629 -11.469 -0.658 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -8.930 -9.900 -2.909 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -7.570 -10.982 -3.134 1.00 0.00 H new ATOM 488 N GLY A 56 -8.226 -9.672 2.044 1.00 0.00 N ATOM 489 CA GLY A 56 -7.972 -10.032 3.427 1.00 0.00 C ATOM 490 C GLY A 56 -6.509 -10.328 3.702 1.00 0.00 C ATOM 491 O GLY A 56 -6.148 -10.719 4.812 1.00 0.00 O ATOM 0 H GLY A 56 -7.837 -8.774 1.757 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -8.301 -9.219 4.075 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -8.569 -10.907 3.685 1.00 0.00 H new ATOM 495 N TYR A 57 -5.664 -10.142 2.692 1.00 0.00 N ATOM 496 CA TYR A 57 -4.234 -10.395 2.835 1.00 0.00 C ATOM 497 C TYR A 57 -3.639 -9.545 3.954 1.00 0.00 C ATOM 498 O TYR A 57 -2.711 -9.970 4.643 1.00 0.00 O ATOM 499 CB TYR A 57 -3.511 -10.104 1.519 1.00 0.00 C ATOM 500 CG TYR A 57 -3.488 -11.280 0.566 1.00 0.00 C ATOM 501 CD1 TYR A 57 -4.628 -12.044 0.350 1.00 0.00 C ATOM 502 CD2 TYR A 57 -2.328 -11.622 -0.117 1.00 0.00 C ATOM 503 CE1 TYR A 57 -4.612 -13.118 -0.520 1.00 0.00 C ATOM 504 CE2 TYR A 57 -2.304 -12.695 -0.989 1.00 0.00 C ATOM 505 CZ TYR A 57 -3.448 -13.439 -1.187 1.00 0.00 C ATOM 506 OH TYR A 57 -3.428 -14.507 -2.054 1.00 0.00 O ATOM 0 H TYR A 57 -5.945 -9.817 1.767 1.00 0.00 H new ATOM 0 HA TYR A 57 -4.100 -11.446 3.092 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -3.994 -9.259 1.028 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -2.486 -9.803 1.736 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -5.541 -11.795 0.870 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -1.431 -11.041 0.035 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -5.506 -13.703 -0.677 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -1.394 -12.949 -1.512 1.00 0.00 H new ATOM 0 HH TYR A 57 -2.533 -14.597 -2.442 1.00 0.00 H new ATOM 516 N PHE A 58 -4.179 -8.343 4.130 1.00 0.00 N ATOM 517 CA PHE A 58 -3.700 -7.434 5.168 1.00 0.00 C ATOM 518 C PHE A 58 -4.770 -7.219 6.235 1.00 0.00 C ATOM 519 O PHE A 58 -5.512 -6.238 6.193 1.00 0.00 O ATOM 520 CB PHE A 58 -3.293 -6.087 4.558 1.00 0.00 C ATOM 521 CG PHE A 58 -2.710 -6.192 3.175 1.00 0.00 C ATOM 522 CD1 PHE A 58 -1.903 -7.262 2.823 1.00 0.00 C ATOM 523 CD2 PHE A 58 -2.974 -5.216 2.226 1.00 0.00 C ATOM 524 CE1 PHE A 58 -1.371 -7.359 1.552 1.00 0.00 C ATOM 525 CE2 PHE A 58 -2.443 -5.308 0.953 1.00 0.00 C ATOM 526 CZ PHE A 58 -1.642 -6.379 0.616 1.00 0.00 C ATOM 0 H PHE A 58 -4.947 -7.975 3.569 1.00 0.00 H new ATOM 0 HA PHE A 58 -2.827 -7.888 5.636 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -4.167 -5.436 4.524 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -2.565 -5.609 5.213 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -1.687 -8.030 3.551 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -3.601 -4.375 2.484 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -0.745 -8.199 1.290 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -2.655 -4.541 0.223 1.00 0.00 H new ATOM 0 HZ PHE A 58 -1.227 -6.452 -0.378 1.00 0.00 H new ATOM 536 N PRO A 59 -4.864 -8.141 7.208 1.00 0.00 N ATOM 537 CA PRO A 59 -5.853 -8.051 8.289 1.00 0.00 C ATOM 538 C PRO A 59 -5.532 -6.939 9.282 1.00 0.00 C ATOM 539 O PRO A 59 -6.428 -6.392 9.925 1.00 0.00 O ATOM 540 CB PRO A 59 -5.757 -9.418 8.969 1.00 0.00 C ATOM 541 CG PRO A 59 -4.371 -9.883 8.689 1.00 0.00 C ATOM 542 CD PRO A 59 -4.019 -9.344 7.330 1.00 0.00 C ATOM 0 HA PRO A 59 -6.848 -7.814 7.912 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -5.940 -9.341 10.041 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -6.496 -10.112 8.569 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -3.677 -9.517 9.445 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -4.314 -10.971 8.704 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -2.959 -9.099 7.257 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -4.234 -10.067 6.543 1.00 0.00 H new ATOM 550 N ASP A 60 -4.251 -6.610 9.404 1.00 0.00 N ATOM 551 CA ASP A 60 -3.816 -5.564 10.321 1.00 0.00 C ATOM 552 C ASP A 60 -3.441 -4.286 9.571 1.00 0.00 C ATOM 553 O ASP A 60 -3.183 -3.251 10.187 1.00 0.00 O ATOM 554 CB ASP A 60 -2.626 -6.054 11.148 1.00 0.00 C ATOM 555 CG ASP A 60 -2.139 -5.013 12.139 1.00 0.00 C ATOM 556 OD1 ASP A 60 -2.792 -4.845 13.191 1.00 0.00 O ATOM 557 OD2 ASP A 60 -1.107 -4.368 11.863 1.00 0.00 O ATOM 0 H ASP A 60 -3.496 -7.052 8.880 1.00 0.00 H new ATOM 0 HA ASP A 60 -4.648 -5.332 10.986 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -2.909 -6.959 11.686 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -1.809 -6.324 10.479 1.00 0.00 H new ATOM 562 N GLY A 61 -3.406 -4.363 8.243 1.00 0.00 N ATOM 563 CA GLY A 61 -3.054 -3.203 7.445 1.00 0.00 C ATOM 564 C GLY A 61 -1.595 -3.207 7.043 1.00 0.00 C ATOM 565 O GLY A 61 -0.779 -3.900 7.653 1.00 0.00 O ATOM 0 H GLY A 61 -3.615 -5.206 7.708 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -3.676 -3.178 6.550 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -3.271 -2.296 8.010 1.00 0.00 H new ATOM 569 N VAL A 62 -1.261 -2.436 6.015 1.00 0.00 N ATOM 570 CA VAL A 62 0.112 -2.361 5.538 1.00 0.00 C ATOM 571 C VAL A 62 0.504 -0.926 5.208 1.00 0.00 C ATOM 572 O VAL A 62 -0.352 -0.050 5.080 1.00 0.00 O ATOM 573 CB VAL A 62 0.323 -3.237 4.289 1.00 0.00 C ATOM 574 CG1 VAL A 62 0.335 -4.710 4.667 1.00 0.00 C ATOM 575 CG2 VAL A 62 -0.750 -2.957 3.249 1.00 0.00 C ATOM 0 H VAL A 62 -1.921 -1.856 5.498 1.00 0.00 H new ATOM 0 HA VAL A 62 0.745 -2.731 6.345 1.00 0.00 H new ATOM 0 HB VAL A 62 1.291 -2.987 3.854 1.00 0.00 H new ATOM 0 HG11 VAL A 62 0.485 -5.314 3.772 1.00 0.00 H new ATOM 0 HG12 VAL A 62 1.145 -4.898 5.372 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -0.616 -4.975 5.128 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -0.582 -3.586 2.375 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.731 -3.175 3.671 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -0.707 -1.908 2.955 1.00 0.00 H new ATOM 585 N TYR A 63 1.804 -0.695 5.066 1.00 0.00 N ATOM 586 CA TYR A 63 2.312 0.627 4.744 1.00 0.00 C ATOM 587 C TYR A 63 2.197 0.889 3.247 1.00 0.00 C ATOM 588 O TYR A 63 3.161 0.718 2.499 1.00 0.00 O ATOM 589 CB TYR A 63 3.768 0.749 5.197 1.00 0.00 C ATOM 590 CG TYR A 63 3.975 1.748 6.312 1.00 0.00 C ATOM 591 CD1 TYR A 63 3.112 1.792 7.400 1.00 0.00 C ATOM 592 CD2 TYR A 63 5.035 2.646 6.278 1.00 0.00 C ATOM 593 CE1 TYR A 63 3.298 2.703 8.422 1.00 0.00 C ATOM 594 CE2 TYR A 63 5.228 3.560 7.297 1.00 0.00 C ATOM 595 CZ TYR A 63 4.357 3.585 8.366 1.00 0.00 C ATOM 596 OH TYR A 63 4.545 4.494 9.382 1.00 0.00 O ATOM 0 H TYR A 63 2.524 -1.410 5.170 1.00 0.00 H new ATOM 0 HA TYR A 63 1.716 1.373 5.270 1.00 0.00 H new ATOM 0 HB2 TYR A 63 4.120 -0.229 5.527 1.00 0.00 H new ATOM 0 HB3 TYR A 63 4.382 1.038 4.344 1.00 0.00 H new ATOM 0 HD1 TYR A 63 2.282 1.103 7.448 1.00 0.00 H new ATOM 0 HD2 TYR A 63 5.719 2.630 5.442 1.00 0.00 H new ATOM 0 HE1 TYR A 63 2.618 2.724 9.260 1.00 0.00 H new ATOM 0 HE2 TYR A 63 6.057 4.251 7.256 1.00 0.00 H new ATOM 0 HH TYR A 63 5.336 5.040 9.190 1.00 0.00 H new ATOM 606 N CYS A 64 1.008 1.294 2.816 1.00 0.00 N ATOM 607 CA CYS A 64 0.758 1.567 1.406 1.00 0.00 C ATOM 608 C CYS A 64 1.375 2.895 0.981 1.00 0.00 C ATOM 609 O CYS A 64 1.405 3.854 1.753 1.00 0.00 O ATOM 610 CB CYS A 64 -0.744 1.577 1.126 1.00 0.00 C ATOM 611 SG CYS A 64 -1.401 -0.011 0.561 1.00 0.00 S ATOM 0 H CYS A 64 0.202 1.441 3.423 1.00 0.00 H new ATOM 0 HA CYS A 64 1.226 0.773 0.825 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -1.270 1.873 2.034 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -0.957 2.335 0.372 1.00 0.00 H new ATOM 0 HG CYS A 64 -2.700 0.041 0.536 1.00 0.00 H new ATOM 617 N ARG A 65 1.864 2.940 -0.254 1.00 0.00 N ATOM 618 CA ARG A 65 2.479 4.141 -0.794 1.00 0.00 C ATOM 619 C ARG A 65 2.420 4.118 -2.322 1.00 0.00 C ATOM 620 O ARG A 65 2.359 3.053 -2.931 1.00 0.00 O ATOM 621 CB ARG A 65 3.929 4.243 -0.297 1.00 0.00 C ATOM 622 CG ARG A 65 4.890 4.921 -1.262 1.00 0.00 C ATOM 623 CD ARG A 65 4.667 6.424 -1.317 1.00 0.00 C ATOM 624 NE ARG A 65 5.775 7.164 -0.719 1.00 0.00 N ATOM 625 CZ ARG A 65 7.013 7.169 -1.209 1.00 0.00 C ATOM 626 NH1 ARG A 65 7.304 6.473 -2.301 1.00 0.00 N ATOM 627 NH2 ARG A 65 7.962 7.870 -0.605 1.00 0.00 N ATOM 0 H ARG A 65 1.844 2.152 -0.901 1.00 0.00 H new ATOM 0 HA ARG A 65 1.933 5.019 -0.450 1.00 0.00 H new ATOM 0 HB2 ARG A 65 3.937 4.790 0.646 1.00 0.00 H new ATOM 0 HB3 ARG A 65 4.297 3.239 -0.086 1.00 0.00 H new ATOM 0 HG2 ARG A 65 5.916 4.717 -0.957 1.00 0.00 H new ATOM 0 HG3 ARG A 65 4.763 4.498 -2.259 1.00 0.00 H new ATOM 0 HD2 ARG A 65 4.542 6.734 -2.354 1.00 0.00 H new ATOM 0 HD3 ARG A 65 3.742 6.673 -0.796 1.00 0.00 H new ATOM 0 HE ARG A 65 5.590 7.709 0.123 1.00 0.00 H new ATOM 0 HH11 ARG A 65 6.578 5.931 -2.769 1.00 0.00 H new ATOM 0 HH12 ARG A 65 8.254 6.480 -2.672 1.00 0.00 H new ATOM 0 HH21 ARG A 65 7.744 8.406 0.235 1.00 0.00 H new ATOM 0 HH22 ARG A 65 8.910 7.874 -0.980 1.00 0.00 H new ATOM 641 N LYS A 66 2.432 5.295 -2.934 1.00 0.00 N ATOM 642 CA LYS A 66 2.378 5.401 -4.382 1.00 0.00 C ATOM 643 C LYS A 66 3.781 5.425 -4.977 1.00 0.00 C ATOM 644 O LYS A 66 4.647 6.172 -4.523 1.00 0.00 O ATOM 645 CB LYS A 66 1.620 6.665 -4.777 1.00 0.00 C ATOM 646 CG LYS A 66 0.113 6.478 -4.829 1.00 0.00 C ATOM 647 CD LYS A 66 -0.571 7.647 -5.519 1.00 0.00 C ATOM 648 CE LYS A 66 -1.134 8.635 -4.511 1.00 0.00 C ATOM 649 NZ LYS A 66 -0.153 9.702 -4.168 1.00 0.00 N ATOM 0 H LYS A 66 2.479 6.190 -2.447 1.00 0.00 H new ATOM 0 HA LYS A 66 1.856 4.528 -4.775 1.00 0.00 H new ATOM 0 HB2 LYS A 66 1.855 7.457 -4.066 1.00 0.00 H new ATOM 0 HB3 LYS A 66 1.970 6.999 -5.754 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -0.122 5.554 -5.358 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -0.277 6.373 -3.816 1.00 0.00 H new ATOM 0 HD2 LYS A 66 0.141 8.155 -6.169 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -1.375 7.276 -6.155 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -2.038 9.090 -4.915 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -1.423 8.103 -3.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -0.577 10.354 -3.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 0.700 9.271 -3.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 0.104 10.227 -5.028 1.00 0.00 H new ATOM 663 N LEU A 67 3.998 4.601 -5.997 1.00 0.00 N ATOM 664 CA LEU A 67 5.297 4.528 -6.656 1.00 0.00 C ATOM 665 C LEU A 67 5.612 5.836 -7.372 1.00 0.00 C ATOM 666 O LEU A 67 6.523 6.565 -6.982 1.00 0.00 O ATOM 667 CB LEU A 67 5.329 3.366 -7.651 1.00 0.00 C ATOM 668 CG LEU A 67 4.606 2.096 -7.195 1.00 0.00 C ATOM 669 CD1 LEU A 67 4.729 1.012 -8.248 1.00 0.00 C ATOM 670 CD2 LEU A 67 5.159 1.611 -5.867 1.00 0.00 C ATOM 0 H LEU A 67 3.292 3.975 -6.385 1.00 0.00 H new ATOM 0 HA LEU A 67 6.055 4.358 -5.892 1.00 0.00 H new ATOM 0 HB2 LEU A 67 4.886 3.700 -8.589 1.00 0.00 H new ATOM 0 HB3 LEU A 67 6.369 3.117 -7.861 1.00 0.00 H new ATOM 0 HG LEU A 67 3.550 2.332 -7.060 1.00 0.00 H new ATOM 0 HD11 LEU A 67 4.210 0.115 -7.909 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.284 1.359 -9.181 1.00 0.00 H new ATOM 0 HD13 LEU A 67 5.782 0.782 -8.412 1.00 0.00 H new ATOM 0 HD21 LEU A 67 4.631 0.708 -5.561 1.00 0.00 H new ATOM 0 HD22 LEU A 67 6.221 1.392 -5.973 1.00 0.00 H new ATOM 0 HD23 LEU A 67 5.022 2.385 -5.111 1.00 0.00 H new ATOM 773 N TYR A 75 1.649 5.422 3.896 1.00 0.00 N ATOM 774 CA TYR A 75 0.210 5.554 4.105 1.00 0.00 C ATOM 775 C TYR A 75 -0.420 4.192 4.382 1.00 0.00 C ATOM 776 O TYR A 75 -0.426 3.315 3.520 1.00 0.00 O ATOM 777 CB TYR A 75 -0.449 6.194 2.881 1.00 0.00 C ATOM 778 CG TYR A 75 -0.577 7.698 2.976 1.00 0.00 C ATOM 779 CD1 TYR A 75 -1.308 8.290 3.998 1.00 0.00 C ATOM 780 CD2 TYR A 75 0.036 8.526 2.043 1.00 0.00 C ATOM 781 CE1 TYR A 75 -1.426 9.664 4.087 1.00 0.00 C ATOM 782 CE2 TYR A 75 -0.078 9.901 2.126 1.00 0.00 C ATOM 783 CZ TYR A 75 -0.809 10.465 3.149 1.00 0.00 C ATOM 784 OH TYR A 75 -0.923 11.833 3.235 1.00 0.00 O ATOM 0 HA TYR A 75 0.048 6.196 4.971 1.00 0.00 H new ATOM 0 HB2 TYR A 75 0.132 5.943 1.994 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -1.440 5.762 2.745 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -1.792 7.666 4.735 1.00 0.00 H new ATOM 0 HD2 TYR A 75 0.611 8.088 1.240 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -1.999 10.109 4.887 1.00 0.00 H new ATOM 0 HE2 TYR A 75 0.404 10.531 1.392 1.00 0.00 H new ATOM 0 HH TYR A 75 -0.429 12.249 2.498 1.00 0.00 H new ATOM 794 N ASN A 76 -0.948 4.023 5.590 1.00 0.00 N ATOM 795 CA ASN A 76 -1.580 2.769 5.977 1.00 0.00 C ATOM 796 C ASN A 76 -2.756 2.450 5.060 1.00 0.00 C ATOM 797 O ASN A 76 -3.672 3.256 4.907 1.00 0.00 O ATOM 798 CB ASN A 76 -2.050 2.853 7.429 1.00 0.00 C ATOM 799 CG ASN A 76 -1.888 1.543 8.179 1.00 0.00 C ATOM 800 OD1 ASN A 76 -1.487 1.530 9.343 1.00 0.00 O ATOM 801 ND2 ASN A 76 -2.199 0.434 7.520 1.00 0.00 N ATOM 0 H ASN A 76 -0.950 4.739 6.317 1.00 0.00 H new ATOM 0 HA ASN A 76 -0.848 1.967 5.883 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -1.487 3.632 7.943 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -3.098 3.150 7.450 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -2.109 -0.473 7.977 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -2.528 0.489 6.556 1.00 0.00 H new ATOM 808 N SER A 77 -2.719 1.269 4.453 1.00 0.00 N ATOM 809 CA SER A 77 -3.778 0.837 3.545 1.00 0.00 C ATOM 810 C SER A 77 -5.153 0.987 4.188 1.00 0.00 C ATOM 811 O SER A 77 -6.135 1.292 3.511 1.00 0.00 O ATOM 812 CB SER A 77 -3.555 -0.617 3.124 1.00 0.00 C ATOM 813 OG SER A 77 -4.329 -0.942 1.982 1.00 0.00 O ATOM 0 H SER A 77 -1.966 0.592 4.573 1.00 0.00 H new ATOM 0 HA SER A 77 -3.743 1.476 2.663 1.00 0.00 H new ATOM 0 HB2 SER A 77 -2.499 -0.779 2.909 1.00 0.00 H new ATOM 0 HB3 SER A 77 -3.818 -1.282 3.947 1.00 0.00 H new ATOM 0 HG SER A 77 -4.859 -0.163 1.713 1.00 0.00 H new ATOM 819 N LYS A 78 -5.216 0.775 5.498 1.00 0.00 N ATOM 820 CA LYS A 78 -6.471 0.892 6.231 1.00 0.00 C ATOM 821 C LYS A 78 -6.896 2.354 6.375 1.00 0.00 C ATOM 822 O LYS A 78 -8.001 2.643 6.835 1.00 0.00 O ATOM 823 CB LYS A 78 -6.340 0.249 7.613 1.00 0.00 C ATOM 824 CG LYS A 78 -7.663 -0.233 8.187 1.00 0.00 C ATOM 825 CD LYS A 78 -7.464 -1.405 9.137 1.00 0.00 C ATOM 826 CE LYS A 78 -7.077 -2.671 8.389 1.00 0.00 C ATOM 827 NZ LYS A 78 -7.950 -3.821 8.756 1.00 0.00 N ATOM 0 H LYS A 78 -4.413 0.521 6.074 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.239 0.368 5.662 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -5.652 -0.594 7.549 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -5.897 0.970 8.300 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -8.152 0.586 8.715 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -8.327 -0.530 7.375 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -6.689 -1.159 9.862 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -8.382 -1.579 9.698 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -7.143 -2.493 7.316 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -6.038 -2.919 8.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -7.362 -4.609 9.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -8.609 -3.531 9.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -8.490 -4.127 7.921 1.00 0.00 H new ATOM 841 N ARG A 79 -6.015 3.274 5.984 1.00 0.00 N ATOM 842 CA ARG A 79 -6.310 4.700 6.077 1.00 0.00 C ATOM 843 C ARG A 79 -6.355 5.353 4.694 1.00 0.00 C ATOM 844 O ARG A 79 -6.464 6.574 4.581 1.00 0.00 O ATOM 845 CB ARG A 79 -5.262 5.398 6.949 1.00 0.00 C ATOM 846 CG ARG A 79 -5.780 5.792 8.323 1.00 0.00 C ATOM 847 CD ARG A 79 -5.469 7.246 8.643 1.00 0.00 C ATOM 848 NE ARG A 79 -5.877 8.142 7.564 1.00 0.00 N ATOM 849 CZ ARG A 79 -7.139 8.496 7.334 1.00 0.00 C ATOM 850 NH1 ARG A 79 -8.116 8.036 8.105 1.00 0.00 N ATOM 851 NH2 ARG A 79 -7.426 9.313 6.328 1.00 0.00 N ATOM 0 H ARG A 79 -5.095 3.057 5.601 1.00 0.00 H new ATOM 0 HA ARG A 79 -7.294 4.809 6.534 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -4.403 4.738 7.069 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -4.908 6.291 6.433 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -6.857 5.632 8.366 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -5.332 5.148 9.080 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -5.978 7.532 9.564 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -4.400 7.357 8.822 1.00 0.00 H new ATOM 0 HE ARG A 79 -5.153 8.518 6.952 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -7.902 7.407 8.879 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -9.081 8.311 7.924 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -6.679 9.669 5.731 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -8.393 9.584 6.151 1.00 0.00 H new ATOM 865 N ILE A 80 -6.274 4.538 3.645 1.00 0.00 N ATOM 866 CA ILE A 80 -6.309 5.049 2.280 1.00 0.00 C ATOM 867 C ILE A 80 -7.659 4.775 1.625 1.00 0.00 C ATOM 868 O ILE A 80 -8.357 3.828 1.987 1.00 0.00 O ATOM 869 CB ILE A 80 -5.191 4.425 1.420 1.00 0.00 C ATOM 870 CG1 ILE A 80 -3.820 4.779 2.002 1.00 0.00 C ATOM 871 CG2 ILE A 80 -5.298 4.896 -0.025 1.00 0.00 C ATOM 872 CD1 ILE A 80 -2.661 4.301 1.155 1.00 0.00 C ATOM 0 H ILE A 80 -6.184 3.524 3.715 1.00 0.00 H new ATOM 0 HA ILE A 80 -6.152 6.126 2.338 1.00 0.00 H new ATOM 0 HB ILE A 80 -5.306 3.341 1.432 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -3.752 5.861 2.118 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -3.734 4.345 2.998 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -4.500 4.444 -0.615 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -6.264 4.600 -0.434 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -5.206 5.982 -0.062 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -1.722 4.587 1.629 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -2.703 3.216 1.059 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -2.722 4.755 0.166 1.00 0.00 H new ATOM 884 N ASP A 81 -8.018 5.610 0.655 1.00 0.00 N ATOM 885 CA ASP A 81 -9.280 5.459 -0.058 1.00 0.00 C ATOM 886 C ASP A 81 -9.057 4.818 -1.422 1.00 0.00 C ATOM 887 O ASP A 81 -8.408 5.398 -2.292 1.00 0.00 O ATOM 888 CB ASP A 81 -9.962 6.819 -0.227 1.00 0.00 C ATOM 889 CG ASP A 81 -11.460 6.695 -0.423 1.00 0.00 C ATOM 890 OD1 ASP A 81 -11.893 5.749 -1.116 1.00 0.00 O ATOM 891 OD2 ASP A 81 -12.202 7.543 0.117 1.00 0.00 O ATOM 0 H ASP A 81 -7.451 6.399 0.345 1.00 0.00 H new ATOM 0 HA ASP A 81 -9.926 4.808 0.531 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -9.763 7.434 0.651 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -9.528 7.336 -1.083 1.00 0.00 H new ATOM 896 N PHE A 82 -9.594 3.616 -1.602 1.00 0.00 N ATOM 897 CA PHE A 82 -9.450 2.897 -2.862 1.00 0.00 C ATOM 898 C PHE A 82 -10.670 3.102 -3.753 1.00 0.00 C ATOM 899 O PHE A 82 -11.020 2.235 -4.553 1.00 0.00 O ATOM 900 CB PHE A 82 -9.240 1.405 -2.598 1.00 0.00 C ATOM 901 CG PHE A 82 -7.942 1.095 -1.909 1.00 0.00 C ATOM 902 CD1 PHE A 82 -6.794 0.839 -2.643 1.00 0.00 C ATOM 903 CD2 PHE A 82 -7.870 1.059 -0.525 1.00 0.00 C ATOM 904 CE1 PHE A 82 -5.599 0.555 -2.010 1.00 0.00 C ATOM 905 CE2 PHE A 82 -6.678 0.774 0.113 1.00 0.00 C ATOM 906 CZ PHE A 82 -5.541 0.521 -0.630 1.00 0.00 C ATOM 0 H PHE A 82 -10.132 3.120 -0.892 1.00 0.00 H new ATOM 0 HA PHE A 82 -8.578 3.295 -3.380 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -10.064 1.033 -1.989 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -9.276 0.868 -3.546 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -6.834 0.862 -3.722 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -8.756 1.256 0.061 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -4.711 0.360 -2.593 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -6.635 0.749 1.192 1.00 0.00 H new ATOM 0 HZ PHE A 82 -4.609 0.297 -0.133 1.00 0.00 H new ATOM 916 N ASP A 83 -11.312 4.258 -3.614 1.00 0.00 N ATOM 917 CA ASP A 83 -12.491 4.579 -4.410 1.00 0.00 C ATOM 918 C ASP A 83 -12.356 5.958 -5.050 1.00 0.00 C ATOM 919 O ASP A 83 -13.353 6.594 -5.391 1.00 0.00 O ATOM 920 CB ASP A 83 -13.748 4.530 -3.540 1.00 0.00 C ATOM 921 CG ASP A 83 -14.341 3.137 -3.458 1.00 0.00 C ATOM 922 OD1 ASP A 83 -14.040 2.310 -4.345 1.00 0.00 O ATOM 923 OD2 ASP A 83 -15.109 2.873 -2.510 1.00 0.00 O ATOM 0 H ASP A 83 -11.035 4.988 -2.957 1.00 0.00 H new ATOM 0 HA ASP A 83 -12.577 3.836 -5.203 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -13.505 4.878 -2.536 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -14.493 5.216 -3.944 1.00 0.00 H new ATOM 928 N LEU A 84 -11.116 6.412 -5.217 1.00 0.00 N ATOM 929 CA LEU A 84 -10.850 7.709 -5.817 1.00 0.00 C ATOM 930 C LEU A 84 -9.577 7.665 -6.656 1.00 0.00 C ATOM 931 O LEU A 84 -8.875 8.667 -6.790 1.00 0.00 O ATOM 932 CB LEU A 84 -10.722 8.789 -4.737 1.00 0.00 C ATOM 933 CG LEU A 84 -11.595 8.579 -3.498 1.00 0.00 C ATOM 934 CD1 LEU A 84 -11.151 9.500 -2.371 1.00 0.00 C ATOM 935 CD2 LEU A 84 -13.061 8.813 -3.832 1.00 0.00 C ATOM 0 H LEU A 84 -10.280 5.896 -4.943 1.00 0.00 H new ATOM 0 HA LEU A 84 -11.690 7.956 -6.466 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -9.680 8.844 -4.422 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -10.972 9.753 -5.179 1.00 0.00 H new ATOM 0 HG LEU A 84 -11.479 7.547 -3.166 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -11.783 9.337 -1.498 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -10.114 9.286 -2.113 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -11.238 10.538 -2.693 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -13.667 8.659 -2.939 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -13.194 9.834 -4.189 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -13.374 8.114 -4.607 1.00 0.00 H new ATOM 947 N TYR A 85 -9.286 6.496 -7.216 1.00 0.00 N ATOM 948 CA TYR A 85 -8.098 6.316 -8.040 1.00 0.00 C ATOM 949 C TYR A 85 -8.415 5.479 -9.274 1.00 0.00 C ATOM 950 O TYR A 85 -8.129 5.883 -10.401 1.00 0.00 O ATOM 951 CB TYR A 85 -6.990 5.645 -7.228 1.00 0.00 C ATOM 952 CG TYR A 85 -6.477 6.492 -6.084 1.00 0.00 C ATOM 953 CD1 TYR A 85 -7.101 6.468 -4.843 1.00 0.00 C ATOM 954 CD2 TYR A 85 -5.370 7.316 -6.246 1.00 0.00 C ATOM 955 CE1 TYR A 85 -6.635 7.240 -3.795 1.00 0.00 C ATOM 956 CE2 TYR A 85 -4.898 8.090 -5.204 1.00 0.00 C ATOM 957 CZ TYR A 85 -5.534 8.049 -3.981 1.00 0.00 C ATOM 958 OH TYR A 85 -5.066 8.819 -2.941 1.00 0.00 O ATOM 0 H TYR A 85 -9.858 5.658 -7.114 1.00 0.00 H new ATOM 0 HA TYR A 85 -7.758 7.299 -8.367 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -7.363 4.701 -6.831 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -6.159 5.405 -7.892 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -7.964 5.836 -4.695 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -4.870 7.352 -7.203 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -7.131 7.210 -2.836 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -4.035 8.724 -5.346 1.00 0.00 H new ATOM 0 HH TYR A 85 -4.284 9.329 -3.238 1.00 0.00 H new ATOM 968 N THR A 86 -9.006 4.310 -9.052 1.00 0.00 N ATOM 969 CA THR A 86 -9.362 3.413 -10.146 1.00 0.00 C ATOM 970 C THR A 86 -10.824 2.988 -10.047 1.00 0.00 C ATOM 971 O THR A 86 -11.100 1.975 -9.370 1.00 0.00 O ATOM 972 CB THR A 86 -8.458 2.179 -10.136 1.00 0.00 C ATOM 973 OG1 THR A 86 -8.849 1.263 -11.142 1.00 0.00 O ATOM 974 CG2 THR A 86 -8.467 1.441 -8.815 1.00 0.00 C ATOM 975 OXT THR A 86 -11.679 3.670 -10.647 1.00 0.00 O ATOM 0 H THR A 86 -9.249 3.961 -8.125 1.00 0.00 H new ATOM 0 HA THR A 86 -9.221 3.950 -11.084 1.00 0.00 H new ATOM 0 HB THR A 86 -7.452 2.557 -10.316 1.00 0.00 H new ATOM 0 HG1 THR A 86 -8.258 0.482 -11.120 1.00 0.00 H new ATOM 0 HG21 THR A 86 -7.805 0.577 -8.876 1.00 0.00 H new ATOM 0 HG22 THR A 86 -8.122 2.107 -8.024 1.00 0.00 H new ATOM 0 HG23 THR A 86 -9.480 1.107 -8.592 1.00 0.00 H new