USER MOD reduce.3.24.130724 H: found=0, std=0, add=898, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 900 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 31 ASN : amide:sc= -8.09! K(o=-8.1!,f=-1.1) USER MOD Set 1.2: A 35 GLN : amide:sc= 0 K(o=-8.1,f=-1.1) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc= -0.731 K(o=-0.73,f=-2.5) USER MOD Single : A 12 CYS SG : rot -72:sc= -6.03! USER MOD Single : A 15 THR OG1 : rot 110:sc= -0.295 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.00886 USER MOD Single : A 17 GLN : amide:sc= -2.31 K(o=-2.3,f=-1.2) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -0.749 K(o=-0.75,f=-1.9) USER MOD Single : A 25 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.218) USER MOD Single : A 38 ASN : amide:sc= 0.428 K(o=0.43,f=-7.1!) USER MOD Single : A 42 CYS SG : rot -170:sc= -1.62! USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 54 MET CE :methyl -159:sc= -0.0995 (180deg=-0.667) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -169:sc= 1.23 (180deg=1.14) USER MOD Single : A 64 MET CE :methyl -157:sc= -0.19 (180deg=-0.356) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= -0.89 K(o=-0.89,f=-0.073) USER MOD Single : A 84 MET CE :methyl -151:sc= -3.64! (180deg=-5.59!) USER MOD Single : A 89 GLN : amide:sc= -0.476 X(o=-0.48,f=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot -33:sc= 0.956 USER MOD Single : A 106 ASN : amide:sc= 0.827 K(o=0.83,f=0) USER MOD Single : A 107 HIS : no HD1:sc= 1.14 K(o=1.1,f=-3.6!) USER MOD Single : A 112 CYS SG : rot 167:sc= -5.99! USER MOD Single : A 116 LYS NZ :NH3+ -153:sc= -2.99! (180deg=-3.77!) USER MOD Single : A 118 HIS : no HD1:sc= -1.97 X(o=-2,f=-1.8) USER MOD Single : A 121 MET CE :methyl -120:sc= -0.451 (180deg=-0.79) USER MOD ----------------------------------------------------------------- ATOM 59 N ALA A 5 -10.917 10.708 -11.724 1.00 0.00 N ATOM 60 CA ALA A 5 -10.254 10.589 -10.433 1.00 0.00 C ATOM 61 C ALA A 5 -8.935 9.850 -10.602 1.00 0.00 C ATOM 62 O ALA A 5 -8.827 8.938 -11.428 1.00 0.00 O ATOM 63 CB ALA A 5 -11.147 9.865 -9.437 1.00 0.00 C ATOM 0 HA ALA A 5 -10.055 11.588 -10.044 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -10.634 9.786 -8.479 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -12.074 10.423 -9.307 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -11.374 8.866 -9.810 1.00 0.00 H new ATOM 69 N TYR A 6 -7.935 10.240 -9.829 1.00 0.00 N ATOM 70 CA TYR A 6 -6.613 9.656 -9.954 1.00 0.00 C ATOM 71 C TYR A 6 -6.461 8.516 -8.963 1.00 0.00 C ATOM 72 O TYR A 6 -6.839 8.645 -7.808 1.00 0.00 O ATOM 73 CB TYR A 6 -5.545 10.724 -9.715 1.00 0.00 C ATOM 74 CG TYR A 6 -5.734 11.964 -10.565 1.00 0.00 C ATOM 75 CD1 TYR A 6 -5.447 11.952 -11.924 1.00 0.00 C ATOM 76 CD2 TYR A 6 -6.207 13.146 -10.008 1.00 0.00 C ATOM 77 CE1 TYR A 6 -5.618 13.084 -12.700 1.00 0.00 C ATOM 78 CE2 TYR A 6 -6.382 14.282 -10.777 1.00 0.00 C ATOM 79 CZ TYR A 6 -6.089 14.245 -12.122 1.00 0.00 C ATOM 80 OH TYR A 6 -6.261 15.373 -12.893 1.00 0.00 O ATOM 0 H TYR A 6 -8.015 10.958 -9.109 1.00 0.00 H new ATOM 0 HA TYR A 6 -6.486 9.262 -10.962 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -5.555 11.009 -8.663 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -4.563 10.298 -9.920 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -5.084 11.044 -12.382 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -6.442 13.178 -8.954 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -5.384 13.059 -13.754 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -6.746 15.193 -10.325 1.00 0.00 H new ATOM 0 HH TYR A 6 -6.600 16.103 -12.334 1.00 0.00 H new ATOM 90 N GLN A 7 -5.926 7.400 -9.420 1.00 0.00 N ATOM 91 CA GLN A 7 -5.800 6.218 -8.580 1.00 0.00 C ATOM 92 C GLN A 7 -4.324 5.927 -8.319 1.00 0.00 C ATOM 93 O GLN A 7 -3.666 5.264 -9.120 1.00 0.00 O ATOM 94 CB GLN A 7 -6.491 5.027 -9.267 1.00 0.00 C ATOM 95 CG GLN A 7 -6.853 3.868 -8.342 1.00 0.00 C ATOM 96 CD GLN A 7 -5.648 3.098 -7.846 1.00 0.00 C ATOM 97 OE1 GLN A 7 -5.090 3.410 -6.808 1.00 0.00 O ATOM 98 NE2 GLN A 7 -5.240 2.085 -8.594 1.00 0.00 N ATOM 0 H GLN A 7 -5.570 7.284 -10.369 1.00 0.00 H new ATOM 0 HA GLN A 7 -6.286 6.390 -7.619 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -7.401 5.384 -9.750 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -5.837 4.652 -10.055 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -7.406 4.255 -7.486 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -7.519 3.186 -8.870 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -5.735 1.856 -9.456 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -4.431 1.533 -8.308 1.00 0.00 H new ATOM 107 N PRO A 8 -3.775 6.469 -7.220 1.00 0.00 N ATOM 108 CA PRO A 8 -2.377 6.272 -6.852 1.00 0.00 C ATOM 109 C PRO A 8 -2.121 4.954 -6.124 1.00 0.00 C ATOM 110 O PRO A 8 -1.270 4.162 -6.547 1.00 0.00 O ATOM 111 CB PRO A 8 -2.074 7.454 -5.912 1.00 0.00 C ATOM 112 CG PRO A 8 -3.327 8.275 -5.863 1.00 0.00 C ATOM 113 CD PRO A 8 -4.445 7.355 -6.267 1.00 0.00 C ATOM 0 HA PRO A 8 -1.746 6.230 -7.739 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -1.800 7.101 -4.918 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -1.236 8.043 -6.284 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -3.493 8.673 -4.862 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -3.261 9.128 -6.539 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -4.852 6.808 -5.416 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -5.274 7.895 -6.724 1.00 0.00 H new ATOM 121 N ILE A 9 -2.850 4.743 -5.022 1.00 0.00 N ATOM 122 CA ILE A 9 -2.638 3.587 -4.151 1.00 0.00 C ATOM 123 C ILE A 9 -3.865 2.667 -4.169 1.00 0.00 C ATOM 124 O ILE A 9 -4.994 3.124 -3.999 1.00 0.00 O ATOM 125 CB ILE A 9 -2.353 4.010 -2.688 1.00 0.00 C ATOM 126 CG1 ILE A 9 -1.884 5.473 -2.598 1.00 0.00 C ATOM 127 CG2 ILE A 9 -1.310 3.087 -2.070 1.00 0.00 C ATOM 128 CD1 ILE A 9 -0.511 5.724 -3.181 1.00 0.00 C ATOM 0 H ILE A 9 -3.597 5.365 -4.713 1.00 0.00 H new ATOM 0 HA ILE A 9 -1.767 3.057 -4.537 1.00 0.00 H new ATOM 0 HB ILE A 9 -3.286 3.927 -2.131 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -2.606 6.106 -3.114 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -1.883 5.778 -1.552 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -1.117 3.393 -1.042 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -1.680 2.062 -2.080 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -0.386 3.145 -2.645 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -0.259 6.779 -3.076 1.00 0.00 H new ATOM 0 HD12 ILE A 9 0.225 5.120 -2.651 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -0.509 5.454 -4.237 1.00 0.00 H new ATOM 140 N ALA A 10 -3.621 1.371 -4.341 1.00 0.00 N ATOM 141 CA ALA A 10 -4.679 0.386 -4.583 1.00 0.00 C ATOM 142 C ALA A 10 -5.707 0.284 -3.455 1.00 0.00 C ATOM 143 O ALA A 10 -6.911 0.395 -3.699 1.00 0.00 O ATOM 144 CB ALA A 10 -4.060 -0.978 -4.831 1.00 0.00 C ATOM 0 H ALA A 10 -2.683 0.970 -4.317 1.00 0.00 H new ATOM 0 HA ALA A 10 -5.223 0.734 -5.461 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -4.849 -1.708 -5.011 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -3.407 -0.928 -5.702 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -3.479 -1.278 -3.959 1.00 0.00 H new ATOM 150 N GLU A 11 -5.239 0.037 -2.235 1.00 0.00 N ATOM 151 CA GLU A 11 -6.134 -0.263 -1.116 1.00 0.00 C ATOM 152 C GLU A 11 -7.069 0.912 -0.812 1.00 0.00 C ATOM 153 O GLU A 11 -8.289 0.733 -0.717 1.00 0.00 O ATOM 154 CB GLU A 11 -5.337 -0.689 0.137 1.00 0.00 C ATOM 155 CG GLU A 11 -4.509 0.401 0.808 1.00 0.00 C ATOM 156 CD GLU A 11 -3.520 1.047 -0.131 1.00 0.00 C ATOM 157 OE1 GLU A 11 -2.496 0.412 -0.449 1.00 0.00 O ATOM 158 OE2 GLU A 11 -3.789 2.180 -0.575 1.00 0.00 O ATOM 0 H GLU A 11 -4.248 0.038 -1.994 1.00 0.00 H new ATOM 0 HA GLU A 11 -6.759 -1.105 -1.413 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -6.038 -1.088 0.870 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -4.669 -1.504 -0.142 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -5.177 1.165 1.206 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -3.973 -0.026 1.655 1.00 0.00 H new ATOM 165 N CYS A 12 -6.512 2.109 -0.695 1.00 0.00 N ATOM 166 CA CYS A 12 -7.305 3.287 -0.398 1.00 0.00 C ATOM 167 C CYS A 12 -8.108 3.720 -1.623 1.00 0.00 C ATOM 168 O CYS A 12 -9.245 4.183 -1.501 1.00 0.00 O ATOM 169 CB CYS A 12 -6.407 4.411 0.111 1.00 0.00 C ATOM 170 SG CYS A 12 -4.992 4.766 -0.948 1.00 0.00 S ATOM 0 H CYS A 12 -5.513 2.287 -0.802 1.00 0.00 H new ATOM 0 HA CYS A 12 -8.018 3.044 0.390 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -7.003 5.317 0.217 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -6.045 4.149 1.105 1.00 0.00 H new ATOM 0 HG CYS A 12 -4.127 3.800 -0.855 1.00 0.00 H new ATOM 176 N GLY A 13 -7.523 3.560 -2.800 1.00 0.00 N ATOM 177 CA GLY A 13 -8.264 3.752 -4.030 1.00 0.00 C ATOM 178 C GLY A 13 -8.010 5.088 -4.694 1.00 0.00 C ATOM 179 O GLY A 13 -6.887 5.590 -4.704 1.00 0.00 O ATOM 0 H GLY A 13 -6.545 3.300 -2.926 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -8.005 2.955 -4.727 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -9.329 3.658 -3.820 1.00 0.00 H new ATOM 183 N ALA A 14 -9.072 5.676 -5.231 1.00 0.00 N ATOM 184 CA ALA A 14 -8.955 6.875 -6.044 1.00 0.00 C ATOM 185 C ALA A 14 -8.924 8.134 -5.187 1.00 0.00 C ATOM 186 O ALA A 14 -9.462 8.168 -4.081 1.00 0.00 O ATOM 187 CB ALA A 14 -10.097 6.946 -7.044 1.00 0.00 C ATOM 0 H ALA A 14 -10.027 5.338 -5.116 1.00 0.00 H new ATOM 0 HA ALA A 14 -8.010 6.819 -6.584 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -9.997 7.849 -7.647 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -10.067 6.071 -7.693 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -11.047 6.969 -6.510 1.00 0.00 H new ATOM 193 N THR A 15 -8.275 9.156 -5.709 1.00 0.00 N ATOM 194 CA THR A 15 -8.128 10.421 -5.018 1.00 0.00 C ATOM 195 C THR A 15 -8.420 11.579 -5.968 1.00 0.00 C ATOM 196 O THR A 15 -7.948 11.585 -7.108 1.00 0.00 O ATOM 197 CB THR A 15 -6.693 10.566 -4.481 1.00 0.00 C ATOM 198 OG1 THR A 15 -6.311 9.371 -3.797 1.00 0.00 O ATOM 199 CG2 THR A 15 -6.579 11.754 -3.541 1.00 0.00 C ATOM 0 H THR A 15 -7.833 9.132 -6.628 1.00 0.00 H new ATOM 0 HA THR A 15 -8.835 10.443 -4.189 1.00 0.00 H new ATOM 0 HB THR A 15 -6.026 10.734 -5.327 1.00 0.00 H new ATOM 0 HG1 THR A 15 -5.631 8.897 -4.321 1.00 0.00 H new ATOM 0 HG21 THR A 15 -5.555 11.833 -3.177 1.00 0.00 H new ATOM 0 HG22 THR A 15 -6.846 12.667 -4.074 1.00 0.00 H new ATOM 0 HG23 THR A 15 -7.255 11.616 -2.697 1.00 0.00 H new ATOM 207 N THR A 16 -9.201 12.552 -5.519 1.00 0.00 N ATOM 208 CA THR A 16 -9.460 13.726 -6.328 1.00 0.00 C ATOM 209 C THR A 16 -8.493 14.855 -5.977 1.00 0.00 C ATOM 210 O THR A 16 -8.881 15.887 -5.431 1.00 0.00 O ATOM 211 CB THR A 16 -10.920 14.204 -6.183 1.00 0.00 C ATOM 212 OG1 THR A 16 -11.331 14.147 -4.809 1.00 0.00 O ATOM 213 CG2 THR A 16 -11.851 13.351 -7.028 1.00 0.00 C ATOM 0 H THR A 16 -9.660 12.549 -4.608 1.00 0.00 H new ATOM 0 HA THR A 16 -9.301 13.444 -7.369 1.00 0.00 H new ATOM 0 HB THR A 16 -10.973 15.236 -6.531 1.00 0.00 H new ATOM 0 HG1 THR A 16 -12.258 14.455 -4.732 1.00 0.00 H new ATOM 0 HG21 THR A 16 -12.875 13.705 -6.911 1.00 0.00 H new ATOM 0 HG22 THR A 16 -11.560 13.423 -8.076 1.00 0.00 H new ATOM 0 HG23 THR A 16 -11.787 12.312 -6.704 1.00 0.00 H new ATOM 221 N GLN A 17 -7.221 14.630 -6.275 1.00 0.00 N ATOM 222 CA GLN A 17 -6.187 15.628 -6.042 1.00 0.00 C ATOM 223 C GLN A 17 -5.309 15.731 -7.278 1.00 0.00 C ATOM 224 O GLN A 17 -4.809 14.721 -7.772 1.00 0.00 O ATOM 225 CB GLN A 17 -5.329 15.268 -4.823 1.00 0.00 C ATOM 226 CG GLN A 17 -4.344 16.358 -4.433 1.00 0.00 C ATOM 227 CD GLN A 17 -3.487 16.012 -3.225 1.00 0.00 C ATOM 228 OE1 GLN A 17 -2.327 16.415 -3.149 1.00 0.00 O ATOM 229 NE2 GLN A 17 -4.045 15.303 -2.252 1.00 0.00 N ATOM 0 H GLN A 17 -6.879 13.759 -6.681 1.00 0.00 H new ATOM 0 HA GLN A 17 -6.667 16.586 -5.841 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -5.983 15.060 -3.976 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -4.779 14.351 -5.033 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -3.692 16.565 -5.281 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -4.896 17.275 -4.224 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -5.009 14.982 -2.343 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -3.510 15.079 -1.413 1.00 0.00 H new ATOM 238 N SER A 18 -5.123 16.946 -7.765 1.00 0.00 N ATOM 239 CA SER A 18 -4.398 17.185 -9.008 1.00 0.00 C ATOM 240 C SER A 18 -2.981 16.607 -8.973 1.00 0.00 C ATOM 241 O SER A 18 -2.469 16.142 -9.992 1.00 0.00 O ATOM 242 CB SER A 18 -4.340 18.686 -9.282 1.00 0.00 C ATOM 243 OG SER A 18 -5.638 19.257 -9.242 1.00 0.00 O ATOM 0 H SER A 18 -5.468 17.794 -7.314 1.00 0.00 H new ATOM 0 HA SER A 18 -4.935 16.677 -9.809 1.00 0.00 H new ATOM 0 HB2 SER A 18 -3.702 19.171 -8.543 1.00 0.00 H new ATOM 0 HB3 SER A 18 -3.889 18.865 -10.258 1.00 0.00 H new ATOM 0 HG SER A 18 -5.578 20.219 -9.418 1.00 0.00 H new ATOM 249 N GLU A 19 -2.358 16.609 -7.802 1.00 0.00 N ATOM 250 CA GLU A 19 -0.975 16.155 -7.684 1.00 0.00 C ATOM 251 C GLU A 19 -0.875 14.632 -7.648 1.00 0.00 C ATOM 252 O GLU A 19 0.193 14.070 -7.878 1.00 0.00 O ATOM 253 CB GLU A 19 -0.307 16.750 -6.441 1.00 0.00 C ATOM 254 CG GLU A 19 0.336 18.111 -6.674 1.00 0.00 C ATOM 255 CD GLU A 19 -0.656 19.185 -7.063 1.00 0.00 C ATOM 256 OE1 GLU A 19 -1.229 19.822 -6.156 1.00 0.00 O ATOM 257 OE2 GLU A 19 -0.857 19.410 -8.277 1.00 0.00 O ATOM 0 H GLU A 19 -2.782 16.917 -6.927 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.450 16.506 -8.573 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -1.051 16.842 -5.650 1.00 0.00 H new ATOM 0 HB3 GLU A 19 0.454 16.057 -6.083 1.00 0.00 H new ATOM 0 HG2 GLU A 19 0.857 18.419 -5.767 1.00 0.00 H new ATOM 0 HG3 GLU A 19 1.088 18.020 -7.458 1.00 0.00 H new ATOM 264 N ALA A 20 -1.994 13.964 -7.393 1.00 0.00 N ATOM 265 CA ALA A 20 -2.000 12.510 -7.259 1.00 0.00 C ATOM 266 C ALA A 20 -1.644 11.828 -8.578 1.00 0.00 C ATOM 267 O ALA A 20 -1.177 10.691 -8.594 1.00 0.00 O ATOM 268 CB ALA A 20 -3.353 12.026 -6.761 1.00 0.00 C ATOM 0 H ALA A 20 -2.907 14.403 -7.275 1.00 0.00 H new ATOM 0 HA ALA A 20 -1.239 12.241 -6.526 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.339 10.940 -6.667 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -3.564 12.472 -5.789 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -4.128 12.319 -7.470 1.00 0.00 H new ATOM 274 N ALA A 21 -1.847 12.542 -9.681 1.00 0.00 N ATOM 275 CA ALA A 21 -1.563 12.010 -11.010 1.00 0.00 C ATOM 276 C ALA A 21 -0.072 11.760 -11.204 1.00 0.00 C ATOM 277 O ALA A 21 0.326 10.913 -12.004 1.00 0.00 O ATOM 278 CB ALA A 21 -2.068 12.966 -12.079 1.00 0.00 C ATOM 0 H ALA A 21 -2.209 13.496 -9.680 1.00 0.00 H new ATOM 0 HA ALA A 21 -2.082 11.056 -11.102 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -1.850 12.557 -13.065 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.145 13.097 -11.971 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.572 13.930 -11.968 1.00 0.00 H new ATOM 284 N ALA A 22 0.748 12.492 -10.464 1.00 0.00 N ATOM 285 CA ALA A 22 2.192 12.391 -10.605 1.00 0.00 C ATOM 286 C ALA A 22 2.789 11.456 -9.561 1.00 0.00 C ATOM 287 O ALA A 22 4.003 11.246 -9.522 1.00 0.00 O ATOM 288 CB ALA A 22 2.820 13.769 -10.501 1.00 0.00 C ATOM 0 H ALA A 22 0.438 13.162 -9.760 1.00 0.00 H new ATOM 0 HA ALA A 22 2.408 11.971 -11.587 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.902 13.685 -10.608 1.00 0.00 H new ATOM 0 HB2 ALA A 22 2.426 14.409 -11.291 1.00 0.00 H new ATOM 0 HB3 ALA A 22 2.584 14.204 -9.530 1.00 0.00 H new ATOM 294 N TYR A 23 1.937 10.892 -8.717 1.00 0.00 N ATOM 295 CA TYR A 23 2.392 9.999 -7.657 1.00 0.00 C ATOM 296 C TYR A 23 1.600 8.700 -7.671 1.00 0.00 C ATOM 297 O TYR A 23 1.546 7.984 -6.671 1.00 0.00 O ATOM 298 CB TYR A 23 2.262 10.677 -6.291 1.00 0.00 C ATOM 299 CG TYR A 23 3.107 11.924 -6.153 1.00 0.00 C ATOM 300 CD1 TYR A 23 4.487 11.841 -6.009 1.00 0.00 C ATOM 301 CD2 TYR A 23 2.525 13.184 -6.179 1.00 0.00 C ATOM 302 CE1 TYR A 23 5.262 12.979 -5.889 1.00 0.00 C ATOM 303 CE2 TYR A 23 3.291 14.327 -6.059 1.00 0.00 C ATOM 304 CZ TYR A 23 4.661 14.220 -5.917 1.00 0.00 C ATOM 305 OH TYR A 23 5.430 15.357 -5.801 1.00 0.00 O ATOM 0 H TYR A 23 0.928 11.036 -8.744 1.00 0.00 H new ATOM 0 HA TYR A 23 3.442 9.769 -7.836 1.00 0.00 H new ATOM 0 HB2 TYR A 23 1.217 10.935 -6.121 1.00 0.00 H new ATOM 0 HB3 TYR A 23 2.546 9.968 -5.514 1.00 0.00 H new ATOM 0 HD1 TYR A 23 4.962 10.871 -5.991 1.00 0.00 H new ATOM 0 HD2 TYR A 23 1.455 13.272 -6.295 1.00 0.00 H new ATOM 0 HE1 TYR A 23 6.333 12.897 -5.774 1.00 0.00 H new ATOM 0 HE2 TYR A 23 2.821 15.299 -6.076 1.00 0.00 H new ATOM 0 HH TYR A 23 4.853 16.148 -5.841 1.00 0.00 H new ATOM 315 N GLN A 24 0.991 8.396 -8.807 1.00 0.00 N ATOM 316 CA GLN A 24 0.221 7.171 -8.939 1.00 0.00 C ATOM 317 C GLN A 24 1.106 6.048 -9.457 1.00 0.00 C ATOM 318 O GLN A 24 2.060 6.299 -10.197 1.00 0.00 O ATOM 319 CB GLN A 24 -1.000 7.384 -9.855 1.00 0.00 C ATOM 320 CG GLN A 24 -0.669 7.813 -11.284 1.00 0.00 C ATOM 321 CD GLN A 24 -0.308 6.651 -12.195 1.00 0.00 C ATOM 322 OE1 GLN A 24 -0.794 5.535 -12.025 1.00 0.00 O ATOM 323 NE2 GLN A 24 0.555 6.907 -13.164 1.00 0.00 N ATOM 0 H GLN A 24 1.015 8.977 -9.645 1.00 0.00 H new ATOM 0 HA GLN A 24 -0.152 6.888 -7.955 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -1.572 6.457 -9.893 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -1.645 8.139 -9.405 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -1.524 8.342 -11.704 1.00 0.00 H new ATOM 0 HG3 GLN A 24 0.162 8.518 -11.261 1.00 0.00 H new ATOM 0 HE21 GLN A 24 0.936 7.847 -13.272 1.00 0.00 H new ATOM 0 HE22 GLN A 24 0.839 6.165 -13.803 1.00 0.00 H new ATOM 332 N LYS A 25 0.776 4.816 -9.082 1.00 0.00 N ATOM 333 CA LYS A 25 1.553 3.638 -9.469 1.00 0.00 C ATOM 334 C LYS A 25 0.696 2.404 -9.260 1.00 0.00 C ATOM 335 O LYS A 25 -0.452 2.507 -8.837 1.00 0.00 O ATOM 336 CB LYS A 25 2.818 3.466 -8.595 1.00 0.00 C ATOM 337 CG LYS A 25 3.910 4.519 -8.758 1.00 0.00 C ATOM 338 CD LYS A 25 4.539 4.479 -10.141 1.00 0.00 C ATOM 339 CE LYS A 25 5.843 5.264 -10.182 1.00 0.00 C ATOM 340 NZ LYS A 25 5.721 6.600 -9.539 1.00 0.00 N ATOM 0 H LYS A 25 -0.036 4.604 -8.502 1.00 0.00 H new ATOM 0 HA LYS A 25 1.852 3.767 -10.509 1.00 0.00 H new ATOM 0 HB2 LYS A 25 2.510 3.453 -7.549 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.251 2.490 -8.812 1.00 0.00 H new ATOM 0 HG2 LYS A 25 3.489 5.508 -8.580 1.00 0.00 H new ATOM 0 HG3 LYS A 25 4.681 4.361 -8.004 1.00 0.00 H new ATOM 0 HD2 LYS A 25 4.727 3.444 -10.427 1.00 0.00 H new ATOM 0 HD3 LYS A 25 3.842 4.890 -10.871 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.624 4.692 -9.681 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.156 5.390 -11.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.566 7.167 -9.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 4.877 7.086 -9.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 5.634 6.483 -8.509 1.00 0.00 H new ATOM 354 N ARG A 26 1.245 1.236 -9.553 1.00 0.00 N ATOM 355 CA ARG A 26 0.631 0.005 -9.092 1.00 0.00 C ATOM 356 C ARG A 26 1.075 -0.239 -7.660 1.00 0.00 C ATOM 357 O ARG A 26 1.832 -1.163 -7.356 1.00 0.00 O ATOM 358 CB ARG A 26 0.947 -1.184 -10.004 1.00 0.00 C ATOM 359 CG ARG A 26 0.017 -1.255 -11.208 1.00 0.00 C ATOM 360 CD ARG A 26 0.247 -2.499 -12.052 1.00 0.00 C ATOM 361 NE ARG A 26 -0.807 -2.662 -13.057 1.00 0.00 N ATOM 362 CZ ARG A 26 -0.615 -2.562 -14.371 1.00 0.00 C ATOM 363 NH1 ARG A 26 0.598 -2.317 -14.851 1.00 0.00 N ATOM 364 NH2 ARG A 26 -1.638 -2.706 -15.202 1.00 0.00 N ATOM 0 H ARG A 26 2.099 1.116 -10.098 1.00 0.00 H new ATOM 0 HA ARG A 26 -0.453 0.109 -9.127 1.00 0.00 H new ATOM 0 HB2 ARG A 26 1.978 -1.110 -10.349 1.00 0.00 H new ATOM 0 HB3 ARG A 26 0.868 -2.108 -9.432 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -1.017 -1.239 -10.865 1.00 0.00 H new ATOM 0 HG3 ARG A 26 0.161 -0.369 -11.826 1.00 0.00 H new ATOM 0 HD2 ARG A 26 1.216 -2.432 -12.546 1.00 0.00 H new ATOM 0 HD3 ARG A 26 0.277 -3.378 -11.408 1.00 0.00 H new ATOM 0 HE ARG A 26 -1.751 -2.866 -12.728 1.00 0.00 H new ATOM 0 HH11 ARG A 26 1.386 -2.205 -14.213 1.00 0.00 H new ATOM 0 HH12 ARG A 26 0.742 -2.241 -15.858 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -2.571 -2.893 -14.835 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -1.492 -2.630 -16.209 1.00 0.00 H new ATOM 378 N TRP A 27 0.635 0.670 -6.808 1.00 0.00 N ATOM 379 CA TRP A 27 0.952 0.673 -5.396 1.00 0.00 C ATOM 380 C TRP A 27 -0.093 -0.164 -4.681 1.00 0.00 C ATOM 381 O TRP A 27 -1.252 -0.133 -5.080 1.00 0.00 O ATOM 382 CB TRP A 27 0.880 2.123 -4.920 1.00 0.00 C ATOM 383 CG TRP A 27 1.751 2.470 -3.759 1.00 0.00 C ATOM 384 CD1 TRP A 27 2.027 1.708 -2.663 1.00 0.00 C ATOM 385 CD2 TRP A 27 2.432 3.712 -3.575 1.00 0.00 C ATOM 386 NE1 TRP A 27 2.863 2.399 -1.813 1.00 0.00 N ATOM 387 CE2 TRP A 27 3.119 3.637 -2.354 1.00 0.00 C ATOM 388 CE3 TRP A 27 2.528 4.881 -4.338 1.00 0.00 C ATOM 389 CZ2 TRP A 27 3.893 4.694 -1.873 1.00 0.00 C ATOM 390 CZ3 TRP A 27 3.291 5.927 -3.861 1.00 0.00 C ATOM 391 CH2 TRP A 27 3.966 5.829 -2.638 1.00 0.00 C ATOM 0 H TRP A 27 0.033 1.444 -7.088 1.00 0.00 H new ATOM 0 HA TRP A 27 1.942 0.263 -5.196 1.00 0.00 H new ATOM 0 HB2 TRP A 27 1.143 2.773 -5.754 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -0.153 2.348 -4.655 1.00 0.00 H new ATOM 0 HD1 TRP A 27 1.647 0.712 -2.487 1.00 0.00 H new ATOM 0 HE1 TRP A 27 3.231 2.050 -0.928 1.00 0.00 H new ATOM 0 HE3 TRP A 27 2.014 4.963 -5.284 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 4.416 4.620 -0.931 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 3.369 6.835 -4.440 1.00 0.00 H new ATOM 0 HH2 TRP A 27 4.556 6.664 -2.291 1.00 0.00 H new ATOM 402 N LEU A 28 0.284 -0.886 -3.632 1.00 0.00 N ATOM 403 CA LEU A 28 -0.663 -1.781 -2.974 1.00 0.00 C ATOM 404 C LEU A 28 -0.057 -2.475 -1.766 1.00 0.00 C ATOM 405 O LEU A 28 1.090 -2.231 -1.391 1.00 0.00 O ATOM 406 CB LEU A 28 -1.175 -2.827 -3.978 1.00 0.00 C ATOM 407 CG LEU A 28 -0.094 -3.505 -4.825 1.00 0.00 C ATOM 408 CD1 LEU A 28 0.462 -4.738 -4.131 1.00 0.00 C ATOM 409 CD2 LEU A 28 -0.644 -3.852 -6.195 1.00 0.00 C ATOM 0 H LEU A 28 1.219 -0.872 -3.225 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.493 -1.172 -2.616 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.720 -3.596 -3.430 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.889 -2.346 -4.647 1.00 0.00 H new ATOM 0 HG LEU A 28 0.731 -2.804 -4.950 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.227 -5.195 -4.759 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.901 -4.451 -3.176 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.343 -5.453 -3.960 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.134 -4.333 -6.788 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.490 -4.531 -6.086 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.972 -2.942 -6.697 1.00 0.00 H new ATOM 421 N VAL A 29 -0.853 -3.342 -1.163 1.00 0.00 N ATOM 422 CA VAL A 29 -0.411 -4.157 -0.050 1.00 0.00 C ATOM 423 C VAL A 29 -0.215 -5.590 -0.531 1.00 0.00 C ATOM 424 O VAL A 29 -0.971 -6.071 -1.369 1.00 0.00 O ATOM 425 CB VAL A 29 -1.443 -4.148 1.100 1.00 0.00 C ATOM 426 CG1 VAL A 29 -0.876 -4.806 2.346 1.00 0.00 C ATOM 427 CG2 VAL A 29 -1.908 -2.732 1.401 1.00 0.00 C ATOM 0 H VAL A 29 -1.824 -3.499 -1.433 1.00 0.00 H new ATOM 0 HA VAL A 29 0.525 -3.745 0.327 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.308 -4.727 0.778 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -1.623 -4.786 3.140 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.611 -5.839 2.123 1.00 0.00 H new ATOM 0 HG13 VAL A 29 0.013 -4.265 2.671 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -2.634 -2.752 2.214 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.053 -2.123 1.693 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.371 -2.304 0.512 1.00 0.00 H new ATOM 437 N ALA A 30 0.803 -6.256 -0.023 1.00 0.00 N ATOM 438 CA ALA A 30 1.047 -7.650 -0.359 1.00 0.00 C ATOM 439 C ALA A 30 1.117 -8.481 0.910 1.00 0.00 C ATOM 440 O ALA A 30 1.417 -7.956 1.977 1.00 0.00 O ATOM 441 CB ALA A 30 2.332 -7.784 -1.163 1.00 0.00 C ATOM 0 H ALA A 30 1.479 -5.855 0.627 1.00 0.00 H new ATOM 0 HA ALA A 30 0.224 -8.018 -0.972 1.00 0.00 H new ATOM 0 HB1 ALA A 30 2.501 -8.833 -1.407 1.00 0.00 H new ATOM 0 HB2 ALA A 30 2.247 -7.207 -2.084 1.00 0.00 H new ATOM 0 HB3 ALA A 30 3.170 -7.409 -0.575 1.00 0.00 H new ATOM 447 N ASN A 31 0.832 -9.769 0.806 1.00 0.00 N ATOM 448 CA ASN A 31 0.858 -10.636 1.979 1.00 0.00 C ATOM 449 C ASN A 31 2.161 -11.428 2.038 1.00 0.00 C ATOM 450 O ASN A 31 2.844 -11.577 1.023 1.00 0.00 O ATOM 451 CB ASN A 31 -0.368 -11.568 2.018 1.00 0.00 C ATOM 452 CG ASN A 31 -0.597 -12.381 0.748 1.00 0.00 C ATOM 453 OD1 ASN A 31 -1.736 -12.665 0.382 1.00 0.00 O ATOM 454 ND2 ASN A 31 0.469 -12.772 0.071 1.00 0.00 N ATOM 0 H ASN A 31 0.583 -10.236 -0.066 1.00 0.00 H new ATOM 0 HA ASN A 31 0.810 -10.002 2.864 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -0.257 -12.255 2.857 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -1.257 -10.968 2.213 1.00 0.00 H new ATOM 0 HD21 ASN A 31 0.359 -13.324 -0.779 1.00 0.00 H new ATOM 0 HD22 ASN A 31 1.402 -12.521 0.399 1.00 0.00 H new ATOM 461 N ASP A 32 2.485 -11.933 3.231 1.00 0.00 N ATOM 462 CA ASP A 32 3.744 -12.656 3.496 1.00 0.00 C ATOM 463 C ASP A 32 4.073 -13.691 2.416 1.00 0.00 C ATOM 464 O ASP A 32 5.237 -13.892 2.078 1.00 0.00 O ATOM 465 CB ASP A 32 3.670 -13.348 4.861 1.00 0.00 C ATOM 466 CG ASP A 32 4.992 -13.961 5.286 1.00 0.00 C ATOM 467 OD1 ASP A 32 5.322 -15.075 4.822 1.00 0.00 O ATOM 468 OD2 ASP A 32 5.698 -13.345 6.111 1.00 0.00 O ATOM 0 H ASP A 32 1.881 -11.854 4.049 1.00 0.00 H new ATOM 0 HA ASP A 32 4.543 -11.914 3.489 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.353 -12.625 5.612 1.00 0.00 H new ATOM 0 HB3 ASP A 32 2.909 -14.127 4.827 1.00 0.00 H new ATOM 473 N ALA A 33 3.040 -14.323 1.862 1.00 0.00 N ATOM 474 CA ALA A 33 3.210 -15.368 0.849 1.00 0.00 C ATOM 475 C ALA A 33 3.896 -14.855 -0.423 1.00 0.00 C ATOM 476 O ALA A 33 4.219 -15.636 -1.313 1.00 0.00 O ATOM 477 CB ALA A 33 1.859 -15.974 0.495 1.00 0.00 C ATOM 0 H ALA A 33 2.067 -14.129 2.099 1.00 0.00 H new ATOM 0 HA ALA A 33 3.860 -16.128 1.282 1.00 0.00 H new ATOM 0 HB1 ALA A 33 1.994 -16.750 -0.259 1.00 0.00 H new ATOM 0 HB2 ALA A 33 1.410 -16.410 1.388 1.00 0.00 H new ATOM 0 HB3 ALA A 33 1.203 -15.197 0.102 1.00 0.00 H new ATOM 483 N GLY A 34 4.106 -13.547 -0.508 1.00 0.00 N ATOM 484 CA GLY A 34 4.718 -12.967 -1.687 1.00 0.00 C ATOM 485 C GLY A 34 3.685 -12.609 -2.732 1.00 0.00 C ATOM 486 O GLY A 34 4.021 -12.208 -3.842 1.00 0.00 O ATOM 0 H GLY A 34 3.862 -12.876 0.221 1.00 0.00 H new ATOM 0 HA2 GLY A 34 5.276 -12.074 -1.406 1.00 0.00 H new ATOM 0 HA3 GLY A 34 5.435 -13.671 -2.109 1.00 0.00 H new ATOM 490 N GLN A 35 2.428 -12.737 -2.353 1.00 0.00 N ATOM 491 CA GLN A 35 1.315 -12.524 -3.262 1.00 0.00 C ATOM 492 C GLN A 35 0.714 -11.137 -3.057 1.00 0.00 C ATOM 493 O GLN A 35 0.605 -10.664 -1.925 1.00 0.00 O ATOM 494 CB GLN A 35 0.254 -13.603 -3.019 1.00 0.00 C ATOM 495 CG GLN A 35 -1.008 -13.440 -3.848 1.00 0.00 C ATOM 496 CD GLN A 35 -2.103 -14.399 -3.427 1.00 0.00 C ATOM 497 OE1 GLN A 35 -2.216 -15.505 -3.953 1.00 0.00 O ATOM 498 NE2 GLN A 35 -2.910 -13.983 -2.465 1.00 0.00 N ATOM 0 H GLN A 35 2.148 -12.992 -1.406 1.00 0.00 H new ATOM 0 HA GLN A 35 1.673 -12.590 -4.289 1.00 0.00 H new ATOM 0 HB2 GLN A 35 0.690 -14.579 -3.232 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -0.016 -13.598 -1.963 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -1.370 -12.416 -3.756 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -0.772 -13.601 -4.900 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -2.781 -13.058 -2.056 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -3.661 -14.588 -2.132 1.00 0.00 H new ATOM 507 N TRP A 36 0.349 -10.489 -4.153 1.00 0.00 N ATOM 508 CA TRP A 36 -0.337 -9.203 -4.093 1.00 0.00 C ATOM 509 C TRP A 36 -1.676 -9.342 -3.376 1.00 0.00 C ATOM 510 O TRP A 36 -2.482 -10.215 -3.713 1.00 0.00 O ATOM 511 CB TRP A 36 -0.575 -8.657 -5.505 1.00 0.00 C ATOM 512 CG TRP A 36 0.607 -7.965 -6.118 1.00 0.00 C ATOM 513 CD1 TRP A 36 1.915 -8.041 -5.730 1.00 0.00 C ATOM 514 CD2 TRP A 36 0.575 -7.075 -7.241 1.00 0.00 C ATOM 515 NE1 TRP A 36 2.693 -7.253 -6.545 1.00 0.00 N ATOM 516 CE2 TRP A 36 1.896 -6.648 -7.473 1.00 0.00 C ATOM 517 CE3 TRP A 36 -0.443 -6.595 -8.071 1.00 0.00 C ATOM 518 CZ2 TRP A 36 2.225 -5.767 -8.497 1.00 0.00 C ATOM 519 CZ3 TRP A 36 -0.113 -5.718 -9.088 1.00 0.00 C ATOM 520 CH2 TRP A 36 1.212 -5.310 -9.291 1.00 0.00 C ATOM 0 H TRP A 36 0.516 -10.832 -5.099 1.00 0.00 H new ATOM 0 HA TRP A 36 0.296 -8.510 -3.539 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -0.872 -9.481 -6.153 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -1.411 -7.959 -5.473 1.00 0.00 H new ATOM 0 HD1 TRP A 36 2.283 -8.633 -4.905 1.00 0.00 H new ATOM 0 HE1 TRP A 36 3.704 -7.139 -6.468 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -1.467 -6.903 -7.921 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 3.246 -5.455 -8.659 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -0.890 -5.341 -9.737 1.00 0.00 H new ATOM 0 HH2 TRP A 36 1.437 -4.620 -10.091 1.00 0.00 H new ATOM 531 N LEU A 37 -1.917 -8.489 -2.394 1.00 0.00 N ATOM 532 CA LEU A 37 -3.184 -8.496 -1.683 1.00 0.00 C ATOM 533 C LEU A 37 -4.145 -7.553 -2.389 1.00 0.00 C ATOM 534 O LEU A 37 -3.734 -6.521 -2.917 1.00 0.00 O ATOM 535 CB LEU A 37 -2.993 -8.073 -0.224 1.00 0.00 C ATOM 536 CG LEU A 37 -4.187 -8.344 0.690 1.00 0.00 C ATOM 537 CD1 LEU A 37 -4.388 -9.842 0.860 1.00 0.00 C ATOM 538 CD2 LEU A 37 -3.995 -7.662 2.037 1.00 0.00 C ATOM 0 H LEU A 37 -1.253 -7.785 -2.072 1.00 0.00 H new ATOM 0 HA LEU A 37 -3.593 -9.506 -1.682 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -2.122 -8.592 0.178 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.769 -7.007 -0.197 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.083 -7.929 0.229 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.242 -10.023 1.513 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.573 -10.297 -0.113 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.494 -10.281 1.302 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.855 -7.866 2.674 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.092 -8.044 2.513 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -3.900 -6.586 1.890 1.00 0.00 H new ATOM 550 N ASN A 38 -5.420 -7.897 -2.409 1.00 0.00 N ATOM 551 CA ASN A 38 -6.372 -7.154 -3.218 1.00 0.00 C ATOM 552 C ASN A 38 -7.662 -6.910 -2.462 1.00 0.00 C ATOM 553 O ASN A 38 -7.913 -7.538 -1.436 1.00 0.00 O ATOM 554 CB ASN A 38 -6.688 -7.939 -4.488 1.00 0.00 C ATOM 555 CG ASN A 38 -7.022 -7.046 -5.673 1.00 0.00 C ATOM 556 OD1 ASN A 38 -7.543 -5.943 -5.511 1.00 0.00 O ATOM 557 ND2 ASN A 38 -6.727 -7.520 -6.871 1.00 0.00 N ATOM 0 H ASN A 38 -5.817 -8.675 -1.883 1.00 0.00 H new ATOM 0 HA ASN A 38 -5.923 -6.192 -3.467 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -5.834 -8.566 -4.743 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -7.528 -8.607 -4.296 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -6.931 -6.966 -7.703 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -6.295 -8.440 -6.964 1.00 0.00 H new ATOM 564 N ARG A 39 -8.488 -6.028 -3.006 1.00 0.00 N ATOM 565 CA ARG A 39 -9.819 -5.769 -2.473 1.00 0.00 C ATOM 566 C ARG A 39 -10.705 -6.991 -2.673 1.00 0.00 C ATOM 567 O ARG A 39 -11.716 -7.165 -1.998 1.00 0.00 O ATOM 568 CB ARG A 39 -10.441 -4.564 -3.175 1.00 0.00 C ATOM 569 CG ARG A 39 -9.752 -3.251 -2.860 1.00 0.00 C ATOM 570 CD ARG A 39 -10.414 -2.095 -3.590 1.00 0.00 C ATOM 571 NE ARG A 39 -10.036 -0.798 -3.032 1.00 0.00 N ATOM 572 CZ ARG A 39 -10.494 0.367 -3.488 1.00 0.00 C ATOM 573 NH1 ARG A 39 -11.209 0.416 -4.606 1.00 0.00 N ATOM 574 NH2 ARG A 39 -10.197 1.489 -2.848 1.00 0.00 N ATOM 0 H ARG A 39 -8.255 -5.472 -3.829 1.00 0.00 H new ATOM 0 HA ARG A 39 -9.735 -5.556 -1.407 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -10.414 -4.729 -4.252 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -11.490 -4.491 -2.890 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -9.781 -3.071 -1.785 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -8.702 -3.311 -3.145 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -10.139 -2.129 -4.644 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -11.497 -2.208 -3.539 1.00 0.00 H new ATOM 0 HE ARG A 39 -9.384 -0.784 -2.248 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -11.410 -0.441 -5.121 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -11.557 1.311 -4.950 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -9.619 1.459 -2.008 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -10.547 2.382 -3.195 1.00 0.00 H new ATOM 588 N ASP A 40 -10.307 -7.828 -3.619 1.00 0.00 N ATOM 589 CA ASP A 40 -11.023 -9.067 -3.907 1.00 0.00 C ATOM 590 C ASP A 40 -10.689 -10.111 -2.853 1.00 0.00 C ATOM 591 O ASP A 40 -11.476 -11.018 -2.580 1.00 0.00 O ATOM 592 CB ASP A 40 -10.650 -9.603 -5.294 1.00 0.00 C ATOM 593 CG ASP A 40 -10.790 -8.562 -6.383 1.00 0.00 C ATOM 594 OD1 ASP A 40 -11.906 -8.039 -6.587 1.00 0.00 O ATOM 595 OD2 ASP A 40 -9.775 -8.245 -7.032 1.00 0.00 O ATOM 0 H ASP A 40 -9.487 -7.672 -4.205 1.00 0.00 H new ATOM 0 HA ASP A 40 -12.092 -8.857 -3.891 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -9.622 -9.965 -5.274 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -11.284 -10.457 -5.531 1.00 0.00 H new ATOM 600 N LEU A 41 -9.511 -9.969 -2.260 1.00 0.00 N ATOM 601 CA LEU A 41 -9.067 -10.865 -1.205 1.00 0.00 C ATOM 602 C LEU A 41 -9.495 -10.307 0.139 1.00 0.00 C ATOM 603 O LEU A 41 -10.105 -10.999 0.955 1.00 0.00 O ATOM 604 CB LEU A 41 -7.545 -11.019 -1.231 1.00 0.00 C ATOM 605 CG LEU A 41 -6.953 -11.538 -2.542 1.00 0.00 C ATOM 606 CD1 LEU A 41 -5.435 -11.516 -2.473 1.00 0.00 C ATOM 607 CD2 LEU A 41 -7.458 -12.943 -2.844 1.00 0.00 C ATOM 0 H LEU A 41 -8.843 -9.235 -2.495 1.00 0.00 H new ATOM 0 HA LEU A 41 -9.518 -11.844 -1.364 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -7.096 -10.051 -1.009 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -7.253 -11.697 -0.429 1.00 0.00 H new ATOM 0 HG LEU A 41 -7.275 -10.884 -3.352 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -5.023 -11.887 -3.411 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -5.093 -10.495 -2.306 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -5.099 -12.150 -1.653 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -7.024 -13.292 -3.781 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -7.167 -13.615 -2.037 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -8.544 -12.928 -2.931 1.00 0.00 H new ATOM 619 N CYS A 42 -9.168 -9.046 0.356 1.00 0.00 N ATOM 620 CA CYS A 42 -9.535 -8.360 1.584 1.00 0.00 C ATOM 621 C CYS A 42 -10.352 -7.106 1.277 1.00 0.00 C ATOM 622 O CYS A 42 -9.794 -6.044 0.996 1.00 0.00 O ATOM 623 CB CYS A 42 -8.283 -7.998 2.387 1.00 0.00 C ATOM 624 SG CYS A 42 -7.307 -9.429 2.901 1.00 0.00 S ATOM 0 H CYS A 42 -8.646 -8.472 -0.306 1.00 0.00 H new ATOM 0 HA CYS A 42 -10.150 -9.032 2.182 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -7.656 -7.339 1.787 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -8.580 -7.436 3.272 1.00 0.00 H new ATOM 0 HG CYS A 42 -6.392 -9.050 3.744 1.00 0.00 H new ATOM 630 N PRO A 43 -11.690 -7.230 1.290 1.00 0.00 N ATOM 631 CA PRO A 43 -12.601 -6.098 1.070 1.00 0.00 C ATOM 632 C PRO A 43 -12.413 -4.989 2.102 1.00 0.00 C ATOM 633 O PRO A 43 -12.609 -3.814 1.803 1.00 0.00 O ATOM 634 CB PRO A 43 -13.996 -6.721 1.203 1.00 0.00 C ATOM 635 CG PRO A 43 -13.789 -8.173 0.943 1.00 0.00 C ATOM 636 CD PRO A 43 -12.427 -8.491 1.486 1.00 0.00 C ATOM 0 HA PRO A 43 -12.425 -5.622 0.105 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -14.412 -6.552 2.196 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -14.694 -6.286 0.487 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -14.556 -8.772 1.434 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -13.847 -8.392 -0.123 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -12.468 -8.775 2.537 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -11.962 -9.318 0.950 1.00 0.00 H new ATOM 644 N ARG A 44 -12.006 -5.364 3.314 1.00 0.00 N ATOM 645 CA ARG A 44 -11.786 -4.388 4.383 1.00 0.00 C ATOM 646 C ARG A 44 -10.570 -3.512 4.088 1.00 0.00 C ATOM 647 O ARG A 44 -10.359 -2.485 4.732 1.00 0.00 O ATOM 648 CB ARG A 44 -11.588 -5.080 5.731 1.00 0.00 C ATOM 649 CG ARG A 44 -12.808 -5.839 6.227 1.00 0.00 C ATOM 650 CD ARG A 44 -12.559 -6.437 7.603 1.00 0.00 C ATOM 651 NE ARG A 44 -11.422 -7.356 7.602 1.00 0.00 N ATOM 652 CZ ARG A 44 -10.278 -7.130 8.248 1.00 0.00 C ATOM 653 NH1 ARG A 44 -10.099 -5.994 8.915 1.00 0.00 N ATOM 654 NH2 ARG A 44 -9.311 -8.037 8.218 1.00 0.00 N ATOM 0 H ARG A 44 -11.822 -6.331 3.580 1.00 0.00 H new ATOM 0 HA ARG A 44 -12.676 -3.761 4.430 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -10.750 -5.773 5.651 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -11.313 -4.331 6.474 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -13.666 -5.168 6.269 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -13.058 -6.632 5.522 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -12.377 -5.636 8.319 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -13.452 -6.965 7.936 1.00 0.00 H new ATOM 0 HE ARG A 44 -11.510 -8.224 7.074 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -10.838 -5.292 8.934 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -9.222 -5.825 9.408 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -9.443 -8.906 7.701 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -8.435 -7.865 8.712 1.00 0.00 H new ATOM 668 N LEU A 45 -9.770 -3.920 3.117 1.00 0.00 N ATOM 669 CA LEU A 45 -8.582 -3.167 2.747 1.00 0.00 C ATOM 670 C LEU A 45 -8.966 -1.989 1.869 1.00 0.00 C ATOM 671 O LEU A 45 -8.208 -1.035 1.732 1.00 0.00 O ATOM 672 CB LEU A 45 -7.586 -4.082 2.029 1.00 0.00 C ATOM 673 CG LEU A 45 -6.211 -3.481 1.748 1.00 0.00 C ATOM 674 CD1 LEU A 45 -5.468 -3.216 3.048 1.00 0.00 C ATOM 675 CD2 LEU A 45 -5.409 -4.401 0.843 1.00 0.00 C ATOM 0 H LEU A 45 -9.921 -4.768 2.571 1.00 0.00 H new ATOM 0 HA LEU A 45 -8.105 -2.781 3.648 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -7.452 -4.982 2.629 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -8.026 -4.393 1.081 1.00 0.00 H new ATOM 0 HG LEU A 45 -6.345 -2.528 1.236 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -4.490 -2.788 2.827 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -6.041 -2.518 3.659 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.340 -4.152 3.591 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.431 -3.960 0.651 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.282 -5.369 1.328 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.938 -4.535 -0.100 1.00 0.00 H new ATOM 687 N ALA A 46 -10.155 -2.058 1.286 1.00 0.00 N ATOM 688 CA ALA A 46 -10.727 -0.921 0.583 1.00 0.00 C ATOM 689 C ALA A 46 -11.062 0.187 1.573 1.00 0.00 C ATOM 690 O ALA A 46 -11.247 1.346 1.195 1.00 0.00 O ATOM 691 CB ALA A 46 -11.966 -1.340 -0.190 1.00 0.00 C ATOM 0 H ALA A 46 -10.742 -2.892 1.287 1.00 0.00 H new ATOM 0 HA ALA A 46 -9.994 -0.544 -0.130 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -12.380 -0.476 -0.710 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -11.699 -2.107 -0.917 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -12.709 -1.738 0.501 1.00 0.00 H new ATOM 697 N GLU A 47 -11.123 -0.182 2.852 1.00 0.00 N ATOM 698 CA GLU A 47 -11.375 0.772 3.921 1.00 0.00 C ATOM 699 C GLU A 47 -10.081 1.473 4.325 1.00 0.00 C ATOM 700 O GLU A 47 -9.618 1.350 5.457 1.00 0.00 O ATOM 701 CB GLU A 47 -11.989 0.077 5.141 1.00 0.00 C ATOM 702 CG GLU A 47 -13.323 -0.595 4.867 1.00 0.00 C ATOM 703 CD GLU A 47 -14.379 0.377 4.390 1.00 0.00 C ATOM 704 OE1 GLU A 47 -14.784 1.259 5.179 1.00 0.00 O ATOM 705 OE2 GLU A 47 -14.825 0.250 3.232 1.00 0.00 O ATOM 0 H GLU A 47 -11.000 -1.143 3.170 1.00 0.00 H new ATOM 0 HA GLU A 47 -12.083 1.513 3.549 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.287 -0.670 5.511 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -12.121 0.811 5.936 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -13.186 -1.373 4.116 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -13.671 -1.086 5.776 1.00 0.00 H new ATOM 712 N VAL A 48 -9.463 2.137 3.367 1.00 0.00 N ATOM 713 CA VAL A 48 -8.362 3.050 3.639 1.00 0.00 C ATOM 714 C VAL A 48 -8.638 4.388 2.952 1.00 0.00 C ATOM 715 O VAL A 48 -9.150 4.416 1.836 1.00 0.00 O ATOM 716 CB VAL A 48 -7.005 2.484 3.155 1.00 0.00 C ATOM 717 CG1 VAL A 48 -5.867 3.432 3.506 1.00 0.00 C ATOM 718 CG2 VAL A 48 -6.748 1.107 3.752 1.00 0.00 C ATOM 0 H VAL A 48 -9.707 2.061 2.380 1.00 0.00 H new ATOM 0 HA VAL A 48 -8.294 3.184 4.719 1.00 0.00 H new ATOM 0 HB VAL A 48 -7.051 2.386 2.070 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -4.923 3.013 3.156 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -6.036 4.396 3.027 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -5.826 3.566 4.587 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -5.789 0.730 3.397 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.730 1.180 4.839 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -7.541 0.424 3.447 1.00 0.00 H new ATOM 728 N SER A 49 -8.341 5.488 3.624 1.00 0.00 N ATOM 729 CA SER A 49 -8.555 6.809 3.053 1.00 0.00 C ATOM 730 C SER A 49 -7.230 7.439 2.633 1.00 0.00 C ATOM 731 O SER A 49 -6.212 7.276 3.312 1.00 0.00 O ATOM 732 CB SER A 49 -9.289 7.698 4.058 1.00 0.00 C ATOM 733 OG SER A 49 -10.558 7.147 4.379 1.00 0.00 O ATOM 0 H SER A 49 -7.951 5.493 4.566 1.00 0.00 H new ATOM 0 HA SER A 49 -9.172 6.710 2.160 1.00 0.00 H new ATOM 0 HB2 SER A 49 -8.692 7.802 4.964 1.00 0.00 H new ATOM 0 HB3 SER A 49 -9.415 8.698 3.643 1.00 0.00 H new ATOM 0 HG SER A 49 -11.013 7.728 5.024 1.00 0.00 H new ATOM 739 N VAL A 50 -7.251 8.151 1.512 1.00 0.00 N ATOM 740 CA VAL A 50 -6.034 8.707 0.933 1.00 0.00 C ATOM 741 C VAL A 50 -5.829 10.163 1.333 1.00 0.00 C ATOM 742 O VAL A 50 -6.786 10.930 1.452 1.00 0.00 O ATOM 743 CB VAL A 50 -6.053 8.662 -0.611 1.00 0.00 C ATOM 744 CG1 VAL A 50 -4.638 8.569 -1.159 1.00 0.00 C ATOM 745 CG2 VAL A 50 -6.912 7.526 -1.133 1.00 0.00 C ATOM 0 H VAL A 50 -8.100 8.357 0.985 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.224 8.088 1.319 1.00 0.00 H new ATOM 0 HB VAL A 50 -6.501 9.591 -0.962 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.671 8.538 -2.248 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -4.065 9.439 -0.838 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -4.162 7.663 -0.785 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -6.898 7.530 -2.223 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -6.520 6.576 -0.769 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -7.936 7.654 -0.783 1.00 0.00 H new ATOM 755 N GLU A 51 -4.575 10.529 1.546 1.00 0.00 N ATOM 756 CA GLU A 51 -4.182 11.922 1.666 1.00 0.00 C ATOM 757 C GLU A 51 -2.786 12.097 1.092 1.00 0.00 C ATOM 758 O GLU A 51 -1.905 11.274 1.326 1.00 0.00 O ATOM 759 CB GLU A 51 -4.184 12.379 3.120 1.00 0.00 C ATOM 760 CG GLU A 51 -3.808 13.841 3.302 1.00 0.00 C ATOM 761 CD GLU A 51 -5.001 14.766 3.250 1.00 0.00 C ATOM 762 OE1 GLU A 51 -5.785 14.778 4.223 1.00 0.00 O ATOM 763 OE2 GLU A 51 -5.147 15.497 2.247 1.00 0.00 O ATOM 0 H GLU A 51 -3.803 9.869 1.640 1.00 0.00 H new ATOM 0 HA GLU A 51 -4.902 12.528 1.116 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -5.175 12.213 3.542 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -3.488 11.761 3.687 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -3.301 13.964 4.259 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -3.098 14.128 2.526 1.00 0.00 H new ATOM 770 N LEU A 52 -2.588 13.158 0.342 1.00 0.00 N ATOM 771 CA LEU A 52 -1.271 13.467 -0.192 1.00 0.00 C ATOM 772 C LEU A 52 -0.798 14.818 0.321 1.00 0.00 C ATOM 773 O LEU A 52 -1.491 15.826 0.179 1.00 0.00 O ATOM 774 CB LEU A 52 -1.258 13.458 -1.730 1.00 0.00 C ATOM 775 CG LEU A 52 -1.193 12.075 -2.400 1.00 0.00 C ATOM 776 CD1 LEU A 52 -2.544 11.373 -2.371 1.00 0.00 C ATOM 777 CD2 LEU A 52 -0.691 12.202 -3.832 1.00 0.00 C ATOM 0 H LEU A 52 -3.318 13.823 0.086 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.590 12.688 0.151 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -2.154 13.968 -2.083 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.403 14.044 -2.069 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.491 11.465 -1.832 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.459 10.399 -2.853 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.862 11.239 -1.337 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -3.280 11.977 -2.902 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.651 11.215 -4.292 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.368 12.840 -4.400 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.306 12.643 -3.830 1.00 0.00 H new ATOM 789 N ARG A 53 0.379 14.823 0.921 1.00 0.00 N ATOM 790 CA ARG A 53 1.002 16.037 1.421 1.00 0.00 C ATOM 791 C ARG A 53 2.132 16.431 0.490 1.00 0.00 C ATOM 792 O ARG A 53 2.458 15.690 -0.439 1.00 0.00 O ATOM 793 CB ARG A 53 1.578 15.813 2.822 1.00 0.00 C ATOM 794 CG ARG A 53 0.588 15.285 3.838 1.00 0.00 C ATOM 795 CD ARG A 53 -0.497 16.298 4.169 1.00 0.00 C ATOM 796 NE ARG A 53 -1.279 15.891 5.338 1.00 0.00 N ATOM 797 CZ ARG A 53 -2.512 16.322 5.606 1.00 0.00 C ATOM 798 NH1 ARG A 53 -3.132 17.149 4.772 1.00 0.00 N ATOM 799 NH2 ARG A 53 -3.134 15.908 6.704 1.00 0.00 N ATOM 0 H ARG A 53 0.933 13.981 1.076 1.00 0.00 H new ATOM 0 HA ARG A 53 0.248 16.823 1.468 1.00 0.00 H new ATOM 0 HB2 ARG A 53 2.411 15.114 2.750 1.00 0.00 H new ATOM 0 HB3 ARG A 53 1.984 16.756 3.188 1.00 0.00 H new ATOM 0 HG2 ARG A 53 0.127 14.375 3.454 1.00 0.00 H new ATOM 0 HG3 ARG A 53 1.118 15.013 4.751 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -0.042 17.271 4.356 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -1.159 16.416 3.311 1.00 0.00 H new ATOM 0 HE ARG A 53 -0.852 15.234 5.991 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -2.665 17.459 3.920 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -4.075 17.474 4.984 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -2.668 15.261 7.341 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -4.077 16.237 6.911 1.00 0.00 H new ATOM 813 N MET A 54 2.748 17.570 0.754 1.00 0.00 N ATOM 814 CA MET A 54 3.890 18.001 -0.034 1.00 0.00 C ATOM 815 C MET A 54 5.079 17.079 0.229 1.00 0.00 C ATOM 816 O MET A 54 5.830 17.271 1.184 1.00 0.00 O ATOM 817 CB MET A 54 4.253 19.458 0.283 1.00 0.00 C ATOM 818 CG MET A 54 5.446 19.973 -0.509 1.00 0.00 C ATOM 819 SD MET A 54 5.789 21.719 -0.212 1.00 0.00 S ATOM 820 CE MET A 54 4.303 22.472 -0.876 1.00 0.00 C ATOM 0 H MET A 54 2.479 18.209 1.502 1.00 0.00 H new ATOM 0 HA MET A 54 3.627 17.945 -1.090 1.00 0.00 H new ATOM 0 HB2 MET A 54 3.390 20.092 0.078 1.00 0.00 H new ATOM 0 HB3 MET A 54 4.468 19.547 1.348 1.00 0.00 H new ATOM 0 HG2 MET A 54 6.327 19.386 -0.250 1.00 0.00 H new ATOM 0 HG3 MET A 54 5.262 19.820 -1.573 1.00 0.00 H new ATOM 0 HE1 MET A 54 4.500 23.518 -1.113 1.00 0.00 H new ATOM 0 HE2 MET A 54 4.002 21.945 -1.782 1.00 0.00 H new ATOM 0 HE3 MET A 54 3.503 22.411 -0.138 1.00 0.00 H new ATOM 830 N GLY A 55 5.199 16.043 -0.592 1.00 0.00 N ATOM 831 CA GLY A 55 6.302 15.114 -0.469 1.00 0.00 C ATOM 832 C GLY A 55 5.965 13.896 0.372 1.00 0.00 C ATOM 833 O GLY A 55 6.805 13.010 0.543 1.00 0.00 O ATOM 0 H GLY A 55 4.546 15.830 -1.346 1.00 0.00 H new ATOM 0 HA2 GLY A 55 6.607 14.788 -1.463 1.00 0.00 H new ATOM 0 HA3 GLY A 55 7.155 15.629 -0.027 1.00 0.00 H new ATOM 837 N TYR A 56 4.739 13.823 0.889 1.00 0.00 N ATOM 838 CA TYR A 56 4.363 12.709 1.754 1.00 0.00 C ATOM 839 C TYR A 56 2.985 12.158 1.420 1.00 0.00 C ATOM 840 O TYR A 56 2.099 12.878 0.976 1.00 0.00 O ATOM 841 CB TYR A 56 4.419 13.121 3.227 1.00 0.00 C ATOM 842 CG TYR A 56 5.827 13.289 3.746 1.00 0.00 C ATOM 843 CD1 TYR A 56 6.658 12.187 3.907 1.00 0.00 C ATOM 844 CD2 TYR A 56 6.331 14.544 4.059 1.00 0.00 C ATOM 845 CE1 TYR A 56 7.951 12.329 4.368 1.00 0.00 C ATOM 846 CE2 TYR A 56 7.624 14.695 4.522 1.00 0.00 C ATOM 847 CZ TYR A 56 8.430 13.587 4.673 1.00 0.00 C ATOM 848 OH TYR A 56 9.715 13.742 5.140 1.00 0.00 O ATOM 0 H TYR A 56 4.002 14.509 0.727 1.00 0.00 H new ATOM 0 HA TYR A 56 5.088 11.915 1.576 1.00 0.00 H new ATOM 0 HB2 TYR A 56 3.877 14.058 3.356 1.00 0.00 H new ATOM 0 HB3 TYR A 56 3.905 12.370 3.827 1.00 0.00 H new ATOM 0 HD1 TYR A 56 6.285 11.202 3.667 1.00 0.00 H new ATOM 0 HD2 TYR A 56 5.703 15.415 3.939 1.00 0.00 H new ATOM 0 HE1 TYR A 56 8.584 11.462 4.489 1.00 0.00 H new ATOM 0 HE2 TYR A 56 8.002 15.677 4.765 1.00 0.00 H new ATOM 0 HH TYR A 56 9.891 14.692 5.304 1.00 0.00 H new ATOM 858 N LEU A 57 2.833 10.868 1.635 1.00 0.00 N ATOM 859 CA LEU A 57 1.576 10.172 1.452 1.00 0.00 C ATOM 860 C LEU A 57 1.021 9.779 2.813 1.00 0.00 C ATOM 861 O LEU A 57 1.654 9.030 3.553 1.00 0.00 O ATOM 862 CB LEU A 57 1.798 8.920 0.602 1.00 0.00 C ATOM 863 CG LEU A 57 0.570 8.033 0.403 1.00 0.00 C ATOM 864 CD1 LEU A 57 -0.449 8.716 -0.494 1.00 0.00 C ATOM 865 CD2 LEU A 57 0.980 6.687 -0.173 1.00 0.00 C ATOM 0 H LEU A 57 3.593 10.263 1.947 1.00 0.00 H new ATOM 0 HA LEU A 57 0.867 10.825 0.943 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.165 9.227 -0.377 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.584 8.323 1.064 1.00 0.00 H new ATOM 0 HG LEU A 57 0.104 7.866 1.374 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.315 8.066 -0.622 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.764 9.655 -0.038 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.000 8.918 -1.467 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.095 6.065 -0.310 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.470 6.837 -1.135 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.669 6.193 0.512 1.00 0.00 H new ATOM 877 N VAL A 58 -0.148 10.294 3.143 1.00 0.00 N ATOM 878 CA VAL A 58 -0.758 10.024 4.432 1.00 0.00 C ATOM 879 C VAL A 58 -1.965 9.115 4.270 1.00 0.00 C ATOM 880 O VAL A 58 -2.983 9.502 3.696 1.00 0.00 O ATOM 881 CB VAL A 58 -1.177 11.322 5.149 1.00 0.00 C ATOM 882 CG1 VAL A 58 -1.824 11.022 6.496 1.00 0.00 C ATOM 883 CG2 VAL A 58 0.022 12.236 5.324 1.00 0.00 C ATOM 0 H VAL A 58 -0.696 10.903 2.535 1.00 0.00 H new ATOM 0 HA VAL A 58 -0.009 9.525 5.046 1.00 0.00 H new ATOM 0 HB VAL A 58 -1.917 11.829 4.530 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -2.109 11.957 6.979 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.711 10.406 6.345 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -1.115 10.488 7.129 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -0.288 13.149 5.832 1.00 0.00 H new ATOM 0 HG22 VAL A 58 0.782 11.730 5.919 1.00 0.00 H new ATOM 0 HG23 VAL A 58 0.434 12.486 4.347 1.00 0.00 H new ATOM 893 N LEU A 59 -1.827 7.899 4.754 1.00 0.00 N ATOM 894 CA LEU A 59 -2.916 6.942 4.736 1.00 0.00 C ATOM 895 C LEU A 59 -3.627 6.939 6.082 1.00 0.00 C ATOM 896 O LEU A 59 -2.986 6.995 7.123 1.00 0.00 O ATOM 897 CB LEU A 59 -2.384 5.544 4.400 1.00 0.00 C ATOM 898 CG LEU A 59 -2.662 5.063 2.971 1.00 0.00 C ATOM 899 CD1 LEU A 59 -2.123 6.049 1.948 1.00 0.00 C ATOM 900 CD2 LEU A 59 -2.056 3.688 2.744 1.00 0.00 C ATOM 0 H LEU A 59 -0.964 7.546 5.168 1.00 0.00 H new ATOM 0 HA LEU A 59 -3.633 7.230 3.967 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.307 5.534 4.566 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -2.821 4.830 5.098 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.743 4.996 2.844 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.334 5.683 0.943 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.602 7.018 2.089 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -1.046 6.155 2.077 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -2.263 3.363 1.725 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.978 3.736 2.898 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -2.491 2.978 3.447 1.00 0.00 H new ATOM 912 N LYS A 60 -4.947 6.902 6.052 1.00 0.00 N ATOM 913 CA LYS A 60 -5.755 6.909 7.270 1.00 0.00 C ATOM 914 C LYS A 60 -6.745 5.760 7.180 1.00 0.00 C ATOM 915 O LYS A 60 -7.409 5.612 6.154 1.00 0.00 O ATOM 916 CB LYS A 60 -6.519 8.236 7.396 1.00 0.00 C ATOM 917 CG LYS A 60 -5.686 9.470 7.071 1.00 0.00 C ATOM 918 CD LYS A 60 -6.554 10.716 6.951 1.00 0.00 C ATOM 919 CE LYS A 60 -5.783 11.884 6.349 1.00 0.00 C ATOM 920 NZ LYS A 60 -6.663 13.053 6.068 1.00 0.00 N ATOM 0 H LYS A 60 -5.492 6.866 5.190 1.00 0.00 H new ATOM 0 HA LYS A 60 -5.113 6.798 8.144 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -7.383 8.209 6.732 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -6.901 8.327 8.413 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -4.938 9.620 7.850 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -5.147 9.310 6.137 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -7.423 10.496 6.331 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -6.927 10.996 7.936 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -4.989 12.185 7.033 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -5.302 11.562 5.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -6.144 13.748 5.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -7.506 12.736 5.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -6.954 13.492 6.965 1.00 0.00 H new ATOM 934 N ALA A 61 -6.857 4.925 8.209 1.00 0.00 N ATOM 935 CA ALA A 61 -7.709 3.748 8.063 1.00 0.00 C ATOM 936 C ALA A 61 -8.813 3.685 9.105 1.00 0.00 C ATOM 937 O ALA A 61 -8.584 3.926 10.274 1.00 0.00 O ATOM 938 CB ALA A 61 -6.869 2.482 8.109 1.00 0.00 C ATOM 0 H ALA A 61 -6.394 5.031 9.112 1.00 0.00 H new ATOM 0 HA ALA A 61 -8.196 3.829 7.091 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -7.516 1.612 7.999 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -6.142 2.498 7.297 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -6.346 2.427 9.064 1.00 0.00 H new ATOM 944 N PRO A 62 -10.046 3.390 8.679 1.00 0.00 N ATOM 945 CA PRO A 62 -11.121 3.028 9.596 1.00 0.00 C ATOM 946 C PRO A 62 -10.647 2.005 10.625 1.00 0.00 C ATOM 947 O PRO A 62 -10.390 0.844 10.291 1.00 0.00 O ATOM 948 CB PRO A 62 -12.173 2.415 8.675 1.00 0.00 C ATOM 949 CG PRO A 62 -11.961 3.078 7.356 1.00 0.00 C ATOM 950 CD PRO A 62 -10.501 3.444 7.283 1.00 0.00 C ATOM 0 HA PRO A 62 -11.491 3.877 10.171 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -12.050 1.335 8.599 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -13.180 2.595 9.051 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -12.233 2.410 6.539 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -12.587 3.965 7.264 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -9.946 2.746 6.656 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -10.360 4.437 6.856 1.00 0.00 H new ATOM 958 N GLY A 63 -10.474 2.455 11.859 1.00 0.00 N ATOM 959 CA GLY A 63 -10.022 1.571 12.914 1.00 0.00 C ATOM 960 C GLY A 63 -8.533 1.693 13.192 1.00 0.00 C ATOM 961 O GLY A 63 -8.042 1.156 14.184 1.00 0.00 O ATOM 0 H GLY A 63 -10.639 3.419 12.149 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -10.576 1.790 13.827 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -10.252 0.541 12.641 1.00 0.00 H new ATOM 965 N MET A 64 -7.812 2.400 12.324 1.00 0.00 N ATOM 966 CA MET A 64 -6.367 2.566 12.477 1.00 0.00 C ATOM 967 C MET A 64 -5.938 4.006 12.214 1.00 0.00 C ATOM 968 O MET A 64 -6.597 4.758 11.494 1.00 0.00 O ATOM 969 CB MET A 64 -5.582 1.629 11.551 1.00 0.00 C ATOM 970 CG MET A 64 -5.554 0.178 11.999 1.00 0.00 C ATOM 971 SD MET A 64 -5.083 -0.012 13.730 1.00 0.00 S ATOM 972 CE MET A 64 -3.471 0.775 13.745 1.00 0.00 C ATOM 0 H MET A 64 -8.205 2.868 11.507 1.00 0.00 H new ATOM 0 HA MET A 64 -6.138 2.308 13.511 1.00 0.00 H new ATOM 0 HB2 MET A 64 -6.015 1.679 10.552 1.00 0.00 H new ATOM 0 HB3 MET A 64 -4.557 1.992 11.472 1.00 0.00 H new ATOM 0 HG2 MET A 64 -6.538 -0.264 11.845 1.00 0.00 H new ATOM 0 HG3 MET A 64 -4.854 -0.377 11.374 1.00 0.00 H new ATOM 0 HE1 MET A 64 -2.890 0.398 14.586 1.00 0.00 H new ATOM 0 HE2 MET A 64 -2.949 0.553 12.814 1.00 0.00 H new ATOM 0 HE3 MET A 64 -3.594 1.854 13.843 1.00 0.00 H new ATOM 982 N LEU A 65 -4.800 4.366 12.774 1.00 0.00 N ATOM 983 CA LEU A 65 -4.306 5.732 12.715 1.00 0.00 C ATOM 984 C LEU A 65 -3.910 6.133 11.291 1.00 0.00 C ATOM 985 O LEU A 65 -4.282 5.480 10.299 1.00 0.00 O ATOM 986 CB LEU A 65 -3.095 5.900 13.649 1.00 0.00 C ATOM 987 CG LEU A 65 -3.353 5.685 15.147 1.00 0.00 C ATOM 988 CD1 LEU A 65 -4.615 6.407 15.587 1.00 0.00 C ATOM 989 CD2 LEU A 65 -3.422 4.202 15.488 1.00 0.00 C ATOM 0 H LEU A 65 -4.192 3.724 13.282 1.00 0.00 H new ATOM 0 HA LEU A 65 -5.116 6.385 13.039 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -2.320 5.202 13.332 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -2.695 6.905 13.512 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.513 6.110 15.696 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -4.777 6.240 16.652 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -4.507 7.475 15.399 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -5.468 6.024 15.026 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -3.606 4.082 16.556 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -4.232 3.737 14.926 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -2.478 3.724 15.226 1.00 0.00 H new ATOM 1001 N ARG A 66 -3.187 7.240 11.203 1.00 0.00 N ATOM 1002 CA ARG A 66 -2.608 7.685 9.951 1.00 0.00 C ATOM 1003 C ARG A 66 -1.230 7.066 9.752 1.00 0.00 C ATOM 1004 O ARG A 66 -0.666 6.463 10.669 1.00 0.00 O ATOM 1005 CB ARG A 66 -2.502 9.212 9.913 1.00 0.00 C ATOM 1006 CG ARG A 66 -1.763 9.802 11.103 1.00 0.00 C ATOM 1007 CD ARG A 66 -1.493 11.285 10.913 1.00 0.00 C ATOM 1008 NE ARG A 66 -1.051 11.921 12.151 1.00 0.00 N ATOM 1009 CZ ARG A 66 0.220 12.191 12.445 1.00 0.00 C ATOM 1010 NH1 ARG A 66 1.201 11.844 11.619 1.00 0.00 N ATOM 1011 NH2 ARG A 66 0.510 12.806 13.580 1.00 0.00 N ATOM 0 H ARG A 66 -2.988 7.850 11.996 1.00 0.00 H new ATOM 0 HA ARG A 66 -3.263 7.361 9.143 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -1.993 9.509 8.996 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -3.505 9.636 9.873 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -2.351 9.652 12.008 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -0.820 9.275 11.244 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -0.732 11.420 10.144 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -2.398 11.776 10.556 1.00 0.00 H new ATOM 0 HE ARG A 66 -1.763 12.175 12.836 1.00 0.00 H new ATOM 0 HH11 ARG A 66 0.986 11.364 10.745 1.00 0.00 H new ATOM 0 HH12 ARG A 66 2.169 12.058 11.859 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -0.237 13.070 14.222 1.00 0.00 H new ATOM 0 HH22 ARG A 66 1.481 13.016 13.813 1.00 0.00 H new ATOM 1025 N LEU A 67 -0.703 7.221 8.553 1.00 0.00 N ATOM 1026 CA LEU A 67 0.591 6.673 8.198 1.00 0.00 C ATOM 1027 C LEU A 67 1.279 7.587 7.192 1.00 0.00 C ATOM 1028 O LEU A 67 0.825 7.716 6.055 1.00 0.00 O ATOM 1029 CB LEU A 67 0.404 5.269 7.615 1.00 0.00 C ATOM 1030 CG LEU A 67 1.657 4.610 7.048 1.00 0.00 C ATOM 1031 CD1 LEU A 67 2.712 4.444 8.129 1.00 0.00 C ATOM 1032 CD2 LEU A 67 1.306 3.268 6.433 1.00 0.00 C ATOM 0 H LEU A 67 -1.160 7.731 7.797 1.00 0.00 H new ATOM 0 HA LEU A 67 1.219 6.604 9.086 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -0.001 4.624 8.395 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.345 5.322 6.824 1.00 0.00 H new ATOM 0 HG LEU A 67 2.068 5.254 6.271 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.598 3.972 7.704 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.979 5.422 8.530 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.317 3.819 8.930 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.207 2.805 6.031 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.875 2.620 7.196 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.584 3.414 5.630 1.00 0.00 H new ATOM 1044 N ASP A 68 2.353 8.238 7.624 1.00 0.00 N ATOM 1045 CA ASP A 68 3.076 9.180 6.773 1.00 0.00 C ATOM 1046 C ASP A 68 4.208 8.475 6.034 1.00 0.00 C ATOM 1047 O ASP A 68 5.274 8.225 6.600 1.00 0.00 O ATOM 1048 CB ASP A 68 3.655 10.339 7.596 1.00 0.00 C ATOM 1049 CG ASP A 68 2.610 11.101 8.392 1.00 0.00 C ATOM 1050 OD1 ASP A 68 2.108 10.554 9.399 1.00 0.00 O ATOM 1051 OD2 ASP A 68 2.314 12.265 8.043 1.00 0.00 O ATOM 0 H ASP A 68 2.744 8.131 8.560 1.00 0.00 H new ATOM 0 HA ASP A 68 2.365 9.581 6.051 1.00 0.00 H new ATOM 0 HB2 ASP A 68 4.407 9.947 8.281 1.00 0.00 H new ATOM 0 HB3 ASP A 68 4.165 11.031 6.925 1.00 0.00 H new ATOM 1056 N ILE A 69 3.962 8.141 4.780 1.00 0.00 N ATOM 1057 CA ILE A 69 4.963 7.508 3.935 1.00 0.00 C ATOM 1058 C ILE A 69 5.486 8.523 2.928 1.00 0.00 C ATOM 1059 O ILE A 69 4.714 9.320 2.417 1.00 0.00 O ATOM 1060 CB ILE A 69 4.360 6.305 3.167 1.00 0.00 C ATOM 1061 CG1 ILE A 69 3.797 5.268 4.141 1.00 0.00 C ATOM 1062 CG2 ILE A 69 5.400 5.666 2.256 1.00 0.00 C ATOM 1063 CD1 ILE A 69 3.127 4.096 3.454 1.00 0.00 C ATOM 0 H ILE A 69 3.066 8.299 4.318 1.00 0.00 H new ATOM 0 HA ILE A 69 5.772 7.149 4.571 1.00 0.00 H new ATOM 0 HB ILE A 69 3.544 6.677 2.548 1.00 0.00 H new ATOM 0 HG12 ILE A 69 4.605 4.896 4.771 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.077 5.753 4.800 1.00 0.00 H new ATOM 0 HG21 ILE A 69 4.953 4.824 1.728 1.00 0.00 H new ATOM 0 HG22 ILE A 69 5.752 6.402 1.533 1.00 0.00 H new ATOM 0 HG23 ILE A 69 6.241 5.314 2.854 1.00 0.00 H new ATOM 0 HD11 ILE A 69 2.751 3.401 4.205 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.297 4.457 2.846 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.850 3.586 2.817 1.00 0.00 H new ATOM 1075 N PRO A 70 6.799 8.552 2.660 1.00 0.00 N ATOM 1076 CA PRO A 70 7.358 9.371 1.579 1.00 0.00 C ATOM 1077 C PRO A 70 6.605 9.198 0.268 1.00 0.00 C ATOM 1078 O PRO A 70 6.221 8.084 -0.089 1.00 0.00 O ATOM 1079 CB PRO A 70 8.768 8.819 1.435 1.00 0.00 C ATOM 1080 CG PRO A 70 9.124 8.381 2.810 1.00 0.00 C ATOM 1081 CD PRO A 70 7.852 7.826 3.397 1.00 0.00 C ATOM 0 HA PRO A 70 7.305 10.436 1.805 1.00 0.00 H new ATOM 0 HB2 PRO A 70 8.802 7.988 0.730 1.00 0.00 H new ATOM 0 HB3 PRO A 70 9.458 9.578 1.066 1.00 0.00 H new ATOM 0 HG2 PRO A 70 9.910 7.626 2.790 1.00 0.00 H new ATOM 0 HG3 PRO A 70 9.499 9.215 3.403 1.00 0.00 H new ATOM 0 HD2 PRO A 70 7.777 6.749 3.250 1.00 0.00 H new ATOM 0 HD3 PRO A 70 7.791 8.007 4.470 1.00 0.00 H new ATOM 1089 N LEU A 71 6.390 10.294 -0.446 1.00 0.00 N ATOM 1090 CA LEU A 71 5.712 10.217 -1.726 1.00 0.00 C ATOM 1091 C LEU A 71 6.587 9.569 -2.777 1.00 0.00 C ATOM 1092 O LEU A 71 7.439 10.213 -3.395 1.00 0.00 O ATOM 1093 CB LEU A 71 5.230 11.578 -2.203 1.00 0.00 C ATOM 1094 CG LEU A 71 3.783 11.893 -1.838 1.00 0.00 C ATOM 1095 CD1 LEU A 71 3.359 13.201 -2.467 1.00 0.00 C ATOM 1096 CD2 LEU A 71 2.862 10.762 -2.278 1.00 0.00 C ATOM 0 H LEU A 71 6.672 11.233 -0.164 1.00 0.00 H new ATOM 0 HA LEU A 71 4.833 9.590 -1.574 1.00 0.00 H new ATOM 0 HB2 LEU A 71 5.875 12.348 -1.780 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.339 11.630 -3.286 1.00 0.00 H new ATOM 0 HG LEU A 71 3.710 11.989 -0.755 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.324 13.415 -2.199 1.00 0.00 H new ATOM 0 HD12 LEU A 71 4.001 14.004 -2.105 1.00 0.00 H new ATOM 0 HD13 LEU A 71 3.446 13.128 -3.551 1.00 0.00 H new ATOM 0 HD21 LEU A 71 1.834 11.005 -2.009 1.00 0.00 H new ATOM 0 HD22 LEU A 71 2.934 10.633 -3.358 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.158 9.838 -1.782 1.00 0.00 H new ATOM 1217 N VAL A 80 13.868 -1.234 0.809 1.00 0.00 N ATOM 1218 CA VAL A 80 14.058 -2.671 0.762 1.00 0.00 C ATOM 1219 C VAL A 80 13.426 -3.253 -0.498 1.00 0.00 C ATOM 1220 O VAL A 80 12.209 -3.219 -0.656 1.00 0.00 O ATOM 1221 CB VAL A 80 13.460 -3.357 2.008 1.00 0.00 C ATOM 1222 CG1 VAL A 80 13.728 -4.855 1.989 1.00 0.00 C ATOM 1223 CG2 VAL A 80 14.022 -2.727 3.275 1.00 0.00 C ATOM 0 HA VAL A 80 15.131 -2.860 0.746 1.00 0.00 H new ATOM 0 HB VAL A 80 12.380 -3.211 1.994 1.00 0.00 H new ATOM 0 HG11 VAL A 80 13.296 -5.313 2.879 1.00 0.00 H new ATOM 0 HG12 VAL A 80 13.277 -5.294 1.099 1.00 0.00 H new ATOM 0 HG13 VAL A 80 14.803 -5.032 1.976 1.00 0.00 H new ATOM 0 HG21 VAL A 80 13.593 -3.219 4.148 1.00 0.00 H new ATOM 0 HG22 VAL A 80 15.106 -2.843 3.289 1.00 0.00 H new ATOM 0 HG23 VAL A 80 13.771 -1.667 3.296 1.00 0.00 H new ATOM 1233 N ARG A 81 14.251 -3.760 -1.403 1.00 0.00 N ATOM 1234 CA ARG A 81 13.736 -4.404 -2.599 1.00 0.00 C ATOM 1235 C ARG A 81 13.244 -5.805 -2.259 1.00 0.00 C ATOM 1236 O ARG A 81 14.025 -6.750 -2.127 1.00 0.00 O ATOM 1237 CB ARG A 81 14.787 -4.438 -3.709 1.00 0.00 C ATOM 1238 CG ARG A 81 15.126 -3.058 -4.253 1.00 0.00 C ATOM 1239 CD ARG A 81 16.176 -3.127 -5.348 1.00 0.00 C ATOM 1240 NE ARG A 81 15.738 -3.934 -6.486 1.00 0.00 N ATOM 1241 CZ ARG A 81 16.569 -4.554 -7.322 1.00 0.00 C ATOM 1242 NH1 ARG A 81 17.883 -4.484 -7.148 1.00 0.00 N ATOM 1243 NH2 ARG A 81 16.082 -5.253 -8.336 1.00 0.00 N ATOM 0 H ARG A 81 15.268 -3.738 -1.332 1.00 0.00 H new ATOM 0 HA ARG A 81 12.895 -3.821 -2.974 1.00 0.00 H new ATOM 0 HB2 ARG A 81 15.695 -4.904 -3.327 1.00 0.00 H new ATOM 0 HB3 ARG A 81 14.425 -5.065 -4.524 1.00 0.00 H new ATOM 0 HG2 ARG A 81 14.223 -2.589 -4.644 1.00 0.00 H new ATOM 0 HG3 ARG A 81 15.487 -2.426 -3.442 1.00 0.00 H new ATOM 0 HD2 ARG A 81 16.409 -2.118 -5.689 1.00 0.00 H new ATOM 0 HD3 ARG A 81 17.096 -3.546 -4.940 1.00 0.00 H new ATOM 0 HE ARG A 81 14.736 -4.028 -6.649 1.00 0.00 H new ATOM 0 HH11 ARG A 81 18.266 -3.951 -6.367 1.00 0.00 H new ATOM 0 HH12 ARG A 81 18.509 -4.963 -7.795 1.00 0.00 H new ATOM 0 HH21 ARG A 81 15.073 -5.315 -8.475 1.00 0.00 H new ATOM 0 HH22 ARG A 81 16.716 -5.729 -8.978 1.00 0.00 H new ATOM 1257 N TYR A 82 11.940 -5.904 -2.089 1.00 0.00 N ATOM 1258 CA TYR A 82 11.290 -7.127 -1.662 1.00 0.00 C ATOM 1259 C TYR A 82 10.999 -8.001 -2.875 1.00 0.00 C ATOM 1260 O TYR A 82 10.389 -7.547 -3.842 1.00 0.00 O ATOM 1261 CB TYR A 82 9.988 -6.760 -0.943 1.00 0.00 C ATOM 1262 CG TYR A 82 9.412 -7.840 -0.055 1.00 0.00 C ATOM 1263 CD1 TYR A 82 8.728 -8.927 -0.585 1.00 0.00 C ATOM 1264 CD2 TYR A 82 9.532 -7.754 1.326 1.00 0.00 C ATOM 1265 CE1 TYR A 82 8.179 -9.895 0.236 1.00 0.00 C ATOM 1266 CE2 TYR A 82 8.991 -8.719 2.150 1.00 0.00 C ATOM 1267 CZ TYR A 82 8.316 -9.786 1.602 1.00 0.00 C ATOM 1268 OH TYR A 82 7.765 -10.739 2.427 1.00 0.00 O ATOM 0 H TYR A 82 11.295 -5.129 -2.245 1.00 0.00 H new ATOM 0 HA TYR A 82 11.937 -7.683 -0.983 1.00 0.00 H new ATOM 0 HB2 TYR A 82 10.165 -5.871 -0.337 1.00 0.00 H new ATOM 0 HB3 TYR A 82 9.242 -6.492 -1.692 1.00 0.00 H new ATOM 0 HD1 TYR A 82 8.623 -9.018 -1.656 1.00 0.00 H new ATOM 0 HD2 TYR A 82 10.058 -6.917 1.762 1.00 0.00 H new ATOM 0 HE1 TYR A 82 7.646 -10.731 -0.191 1.00 0.00 H new ATOM 0 HE2 TYR A 82 9.097 -8.638 3.222 1.00 0.00 H new ATOM 0 HH TYR A 82 7.955 -10.512 3.361 1.00 0.00 H new ATOM 1278 N GLN A 83 11.444 -9.245 -2.830 1.00 0.00 N ATOM 1279 CA GLN A 83 11.186 -10.171 -3.918 1.00 0.00 C ATOM 1280 C GLN A 83 9.750 -10.662 -3.846 1.00 0.00 C ATOM 1281 O GLN A 83 9.374 -11.379 -2.919 1.00 0.00 O ATOM 1282 CB GLN A 83 12.159 -11.349 -3.870 1.00 0.00 C ATOM 1283 CG GLN A 83 13.614 -10.937 -4.013 1.00 0.00 C ATOM 1284 CD GLN A 83 13.914 -10.270 -5.343 1.00 0.00 C ATOM 1285 OE1 GLN A 83 14.777 -9.400 -5.429 1.00 0.00 O ATOM 1286 NE2 GLN A 83 13.227 -10.690 -6.396 1.00 0.00 N ATOM 0 H GLN A 83 11.983 -9.635 -2.057 1.00 0.00 H new ATOM 0 HA GLN A 83 11.336 -9.650 -4.864 1.00 0.00 H new ATOM 0 HB2 GLN A 83 12.030 -11.878 -2.926 1.00 0.00 H new ATOM 0 HB3 GLN A 83 11.908 -12.050 -4.666 1.00 0.00 H new ATOM 0 HG2 GLN A 83 13.874 -10.254 -3.204 1.00 0.00 H new ATOM 0 HG3 GLN A 83 14.248 -11.817 -3.903 1.00 0.00 H new ATOM 0 HE21 GLN A 83 12.518 -11.415 -6.286 1.00 0.00 H new ATOM 0 HE22 GLN A 83 13.408 -10.289 -7.316 1.00 0.00 H new ATOM 1295 N MET A 84 8.955 -10.259 -4.820 1.00 0.00 N ATOM 1296 CA MET A 84 7.540 -10.577 -4.838 1.00 0.00 C ATOM 1297 C MET A 84 7.291 -11.766 -5.752 1.00 0.00 C ATOM 1298 O MET A 84 7.967 -11.933 -6.771 1.00 0.00 O ATOM 1299 CB MET A 84 6.734 -9.363 -5.319 1.00 0.00 C ATOM 1300 CG MET A 84 5.236 -9.478 -5.081 1.00 0.00 C ATOM 1301 SD MET A 84 4.689 -8.688 -3.553 1.00 0.00 S ATOM 1302 CE MET A 84 5.605 -9.603 -2.319 1.00 0.00 C ATOM 0 H MET A 84 9.270 -9.705 -5.616 1.00 0.00 H new ATOM 0 HA MET A 84 7.219 -10.832 -3.828 1.00 0.00 H new ATOM 0 HB2 MET A 84 7.104 -8.471 -4.813 1.00 0.00 H new ATOM 0 HB3 MET A 84 6.912 -9.222 -6.385 1.00 0.00 H new ATOM 0 HG2 MET A 84 4.707 -9.030 -5.922 1.00 0.00 H new ATOM 0 HG3 MET A 84 4.960 -10.532 -5.055 1.00 0.00 H new ATOM 0 HE1 MET A 84 5.043 -9.618 -1.385 1.00 0.00 H new ATOM 0 HE2 MET A 84 5.761 -10.625 -2.665 1.00 0.00 H new ATOM 0 HE3 MET A 84 6.570 -9.125 -2.153 1.00 0.00 H new ATOM 1312 N LEU A 85 6.326 -12.589 -5.394 1.00 0.00 N ATOM 1313 CA LEU A 85 6.010 -13.766 -6.173 1.00 0.00 C ATOM 1314 C LEU A 85 4.528 -13.764 -6.518 1.00 0.00 C ATOM 1315 O LEU A 85 3.719 -14.435 -5.880 1.00 0.00 O ATOM 1316 CB LEU A 85 6.377 -15.033 -5.406 1.00 0.00 C ATOM 1317 CG LEU A 85 6.428 -16.299 -6.251 1.00 0.00 C ATOM 1318 CD1 LEU A 85 7.712 -16.342 -7.065 1.00 0.00 C ATOM 1319 CD2 LEU A 85 6.304 -17.526 -5.373 1.00 0.00 C ATOM 0 H LEU A 85 5.746 -12.462 -4.565 1.00 0.00 H new ATOM 0 HA LEU A 85 6.592 -13.749 -7.094 1.00 0.00 H new ATOM 0 HB2 LEU A 85 7.350 -14.887 -4.936 1.00 0.00 H new ATOM 0 HB3 LEU A 85 5.654 -15.177 -4.604 1.00 0.00 H new ATOM 0 HG LEU A 85 5.586 -16.290 -6.943 1.00 0.00 H new ATOM 0 HD11 LEU A 85 7.733 -17.253 -7.663 1.00 0.00 H new ATOM 0 HD12 LEU A 85 7.755 -15.474 -7.723 1.00 0.00 H new ATOM 0 HD13 LEU A 85 8.570 -16.330 -6.392 1.00 0.00 H new ATOM 0 HD21 LEU A 85 6.342 -18.422 -5.992 1.00 0.00 H new ATOM 0 HD22 LEU A 85 7.125 -17.545 -4.656 1.00 0.00 H new ATOM 0 HD23 LEU A 85 5.355 -17.496 -4.837 1.00 0.00 H new ATOM 1331 N VAL A 86 4.178 -12.982 -7.516 1.00 0.00 N ATOM 1332 CA VAL A 86 2.781 -12.784 -7.876 1.00 0.00 C ATOM 1333 C VAL A 86 2.319 -13.882 -8.825 1.00 0.00 C ATOM 1334 O VAL A 86 2.564 -13.810 -10.025 1.00 0.00 O ATOM 1335 CB VAL A 86 2.555 -11.411 -8.544 1.00 0.00 C ATOM 1336 CG1 VAL A 86 1.075 -11.056 -8.577 1.00 0.00 C ATOM 1337 CG2 VAL A 86 3.351 -10.331 -7.835 1.00 0.00 C ATOM 0 H VAL A 86 4.840 -12.469 -8.098 1.00 0.00 H new ATOM 0 HA VAL A 86 2.200 -12.821 -6.954 1.00 0.00 H new ATOM 0 HB VAL A 86 2.908 -11.476 -9.573 1.00 0.00 H new ATOM 0 HG11 VAL A 86 0.944 -10.084 -9.053 1.00 0.00 H new ATOM 0 HG12 VAL A 86 0.532 -11.813 -9.143 1.00 0.00 H new ATOM 0 HG13 VAL A 86 0.688 -11.017 -7.559 1.00 0.00 H new ATOM 0 HG21 VAL A 86 3.177 -9.372 -8.322 1.00 0.00 H new ATOM 0 HG22 VAL A 86 3.036 -10.271 -6.793 1.00 0.00 H new ATOM 0 HG23 VAL A 86 4.413 -10.573 -7.880 1.00 0.00 H new ATOM 1347 N GLY A 87 1.677 -14.909 -8.282 1.00 0.00 N ATOM 1348 CA GLY A 87 1.292 -16.043 -9.099 1.00 0.00 C ATOM 1349 C GLY A 87 2.514 -16.823 -9.523 1.00 0.00 C ATOM 1350 O GLY A 87 2.561 -17.387 -10.619 1.00 0.00 O ATOM 0 H GLY A 87 1.418 -14.977 -7.298 1.00 0.00 H new ATOM 0 HA2 GLY A 87 0.615 -16.690 -8.540 1.00 0.00 H new ATOM 0 HA3 GLY A 87 0.749 -15.698 -9.979 1.00 0.00 H new ATOM 1354 N GLU A 88 3.514 -16.810 -8.638 1.00 0.00 N ATOM 1355 CA GLU A 88 4.815 -17.428 -8.877 1.00 0.00 C ATOM 1356 C GLU A 88 5.602 -16.669 -9.942 1.00 0.00 C ATOM 1357 O GLU A 88 6.568 -17.185 -10.500 1.00 0.00 O ATOM 1358 CB GLU A 88 4.688 -18.914 -9.237 1.00 0.00 C ATOM 1359 CG GLU A 88 4.429 -19.816 -8.035 1.00 0.00 C ATOM 1360 CD GLU A 88 2.991 -19.783 -7.550 1.00 0.00 C ATOM 1361 OE1 GLU A 88 2.606 -18.829 -6.841 1.00 0.00 O ATOM 1362 OE2 GLU A 88 2.241 -20.728 -7.872 1.00 0.00 O ATOM 0 H GLU A 88 3.439 -16.363 -7.724 1.00 0.00 H new ATOM 0 HA GLU A 88 5.372 -17.370 -7.942 1.00 0.00 H new ATOM 0 HB2 GLU A 88 3.876 -19.037 -9.954 1.00 0.00 H new ATOM 0 HB3 GLU A 88 5.603 -19.238 -9.733 1.00 0.00 H new ATOM 0 HG2 GLU A 88 4.692 -20.841 -8.297 1.00 0.00 H new ATOM 0 HG3 GLU A 88 5.086 -19.517 -7.218 1.00 0.00 H new ATOM 1369 N GLN A 89 5.200 -15.430 -10.196 1.00 0.00 N ATOM 1370 CA GLN A 89 5.942 -14.554 -11.084 1.00 0.00 C ATOM 1371 C GLN A 89 6.921 -13.721 -10.263 1.00 0.00 C ATOM 1372 O GLN A 89 6.516 -12.825 -9.516 1.00 0.00 O ATOM 1373 CB GLN A 89 4.972 -13.662 -11.862 1.00 0.00 C ATOM 1374 CG GLN A 89 5.628 -12.816 -12.942 1.00 0.00 C ATOM 1375 CD GLN A 89 4.620 -12.244 -13.927 1.00 0.00 C ATOM 1376 OE1 GLN A 89 4.319 -12.858 -14.949 1.00 0.00 O ATOM 1377 NE2 GLN A 89 4.086 -11.068 -13.628 1.00 0.00 N ATOM 0 H GLN A 89 4.360 -15.011 -9.796 1.00 0.00 H new ATOM 0 HA GLN A 89 6.507 -15.144 -11.805 1.00 0.00 H new ATOM 0 HB2 GLN A 89 4.209 -14.290 -12.322 1.00 0.00 H new ATOM 0 HB3 GLN A 89 4.461 -13.002 -11.160 1.00 0.00 H new ATOM 0 HG2 GLN A 89 6.178 -11.999 -12.475 1.00 0.00 H new ATOM 0 HG3 GLN A 89 6.355 -13.422 -13.482 1.00 0.00 H new ATOM 0 HE21 GLN A 89 4.359 -10.587 -12.771 1.00 0.00 H new ATOM 0 HE22 GLN A 89 3.402 -10.644 -14.255 1.00 0.00 H new ATOM 1386 N THR A 90 8.201 -14.048 -10.388 1.00 0.00 N ATOM 1387 CA THR A 90 9.237 -13.456 -9.556 1.00 0.00 C ATOM 1388 C THR A 90 9.621 -12.060 -10.033 1.00 0.00 C ATOM 1389 O THR A 90 10.384 -11.901 -10.986 1.00 0.00 O ATOM 1390 CB THR A 90 10.494 -14.350 -9.530 1.00 0.00 C ATOM 1391 OG1 THR A 90 10.116 -15.714 -9.293 1.00 0.00 O ATOM 1392 CG2 THR A 90 11.461 -13.898 -8.444 1.00 0.00 C ATOM 0 H THR A 90 8.547 -14.727 -11.065 1.00 0.00 H new ATOM 0 HA THR A 90 8.826 -13.374 -8.550 1.00 0.00 H new ATOM 0 HB THR A 90 10.991 -14.267 -10.496 1.00 0.00 H new ATOM 0 HG1 THR A 90 10.917 -16.278 -9.279 1.00 0.00 H new ATOM 0 HG21 THR A 90 12.339 -14.544 -8.446 1.00 0.00 H new ATOM 0 HG22 THR A 90 11.767 -12.869 -8.635 1.00 0.00 H new ATOM 0 HG23 THR A 90 10.970 -13.956 -7.473 1.00 0.00 H new ATOM 1400 N VAL A 91 9.077 -11.056 -9.364 1.00 0.00 N ATOM 1401 CA VAL A 91 9.396 -9.665 -9.653 1.00 0.00 C ATOM 1402 C VAL A 91 9.700 -8.927 -8.355 1.00 0.00 C ATOM 1403 O VAL A 91 9.078 -9.195 -7.331 1.00 0.00 O ATOM 1404 CB VAL A 91 8.245 -8.947 -10.397 1.00 0.00 C ATOM 1405 CG1 VAL A 91 8.160 -9.415 -11.843 1.00 0.00 C ATOM 1406 CG2 VAL A 91 6.913 -9.171 -9.687 1.00 0.00 C ATOM 0 H VAL A 91 8.404 -11.180 -8.608 1.00 0.00 H new ATOM 0 HA VAL A 91 10.270 -9.657 -10.305 1.00 0.00 H new ATOM 0 HB VAL A 91 8.460 -7.878 -10.393 1.00 0.00 H new ATOM 0 HG11 VAL A 91 7.344 -8.897 -12.346 1.00 0.00 H new ATOM 0 HG12 VAL A 91 9.098 -9.195 -12.352 1.00 0.00 H new ATOM 0 HG13 VAL A 91 7.977 -10.489 -11.868 1.00 0.00 H new ATOM 0 HG21 VAL A 91 6.120 -8.656 -10.230 1.00 0.00 H new ATOM 0 HG22 VAL A 91 6.695 -10.238 -9.652 1.00 0.00 H new ATOM 0 HG23 VAL A 91 6.971 -8.779 -8.672 1.00 0.00 H new ATOM 1416 N ASP A 92 10.661 -8.020 -8.382 1.00 0.00 N ATOM 1417 CA ASP A 92 11.031 -7.292 -7.176 1.00 0.00 C ATOM 1418 C ASP A 92 10.242 -5.997 -7.066 1.00 0.00 C ATOM 1419 O ASP A 92 9.980 -5.324 -8.062 1.00 0.00 O ATOM 1420 CB ASP A 92 12.542 -7.011 -7.128 1.00 0.00 C ATOM 1421 CG ASP A 92 13.009 -6.018 -8.172 1.00 0.00 C ATOM 1422 OD1 ASP A 92 13.080 -6.386 -9.366 1.00 0.00 O ATOM 1423 OD2 ASP A 92 13.343 -4.872 -7.800 1.00 0.00 O ATOM 0 H ASP A 92 11.195 -7.770 -9.214 1.00 0.00 H new ATOM 0 HA ASP A 92 10.784 -7.922 -6.322 1.00 0.00 H new ATOM 0 HB2 ASP A 92 12.801 -6.634 -6.139 1.00 0.00 H new ATOM 0 HB3 ASP A 92 13.082 -7.948 -7.264 1.00 0.00 H new ATOM 1428 N VAL A 93 9.834 -5.680 -5.848 1.00 0.00 N ATOM 1429 CA VAL A 93 9.083 -4.467 -5.565 1.00 0.00 C ATOM 1430 C VAL A 93 9.707 -3.742 -4.382 1.00 0.00 C ATOM 1431 O VAL A 93 10.364 -4.358 -3.550 1.00 0.00 O ATOM 1432 CB VAL A 93 7.595 -4.759 -5.265 1.00 0.00 C ATOM 1433 CG1 VAL A 93 6.880 -5.276 -6.506 1.00 0.00 C ATOM 1434 CG2 VAL A 93 7.459 -5.752 -4.118 1.00 0.00 C ATOM 0 H VAL A 93 10.014 -6.257 -5.026 1.00 0.00 H new ATOM 0 HA VAL A 93 9.124 -3.841 -6.456 1.00 0.00 H new ATOM 0 HB VAL A 93 7.124 -3.823 -4.966 1.00 0.00 H new ATOM 0 HG11 VAL A 93 5.835 -5.474 -6.268 1.00 0.00 H new ATOM 0 HG12 VAL A 93 6.937 -4.528 -7.297 1.00 0.00 H new ATOM 0 HG13 VAL A 93 7.356 -6.197 -6.843 1.00 0.00 H new ATOM 0 HG21 VAL A 93 6.403 -5.942 -3.925 1.00 0.00 H new ATOM 0 HG22 VAL A 93 7.953 -6.686 -4.385 1.00 0.00 H new ATOM 0 HG23 VAL A 93 7.923 -5.339 -3.222 1.00 0.00 H new ATOM 1444 N VAL A 94 9.528 -2.435 -4.315 1.00 0.00 N ATOM 1445 CA VAL A 94 10.149 -1.646 -3.265 1.00 0.00 C ATOM 1446 C VAL A 94 9.256 -1.568 -2.032 1.00 0.00 C ATOM 1447 O VAL A 94 8.049 -1.341 -2.138 1.00 0.00 O ATOM 1448 CB VAL A 94 10.494 -0.221 -3.759 1.00 0.00 C ATOM 1449 CG1 VAL A 94 11.075 0.632 -2.641 1.00 0.00 C ATOM 1450 CG2 VAL A 94 11.464 -0.290 -4.926 1.00 0.00 C ATOM 0 H VAL A 94 8.961 -1.899 -4.972 1.00 0.00 H new ATOM 0 HA VAL A 94 11.076 -2.149 -2.991 1.00 0.00 H new ATOM 0 HB VAL A 94 9.569 0.250 -4.091 1.00 0.00 H new ATOM 0 HG11 VAL A 94 11.306 1.626 -3.024 1.00 0.00 H new ATOM 0 HG12 VAL A 94 10.350 0.714 -1.832 1.00 0.00 H new ATOM 0 HG13 VAL A 94 11.987 0.168 -2.265 1.00 0.00 H new ATOM 0 HG21 VAL A 94 11.699 0.719 -5.264 1.00 0.00 H new ATOM 0 HG22 VAL A 94 12.380 -0.789 -4.609 1.00 0.00 H new ATOM 0 HG23 VAL A 94 11.010 -0.850 -5.744 1.00 0.00 H new ATOM 1460 N ASP A 95 9.858 -1.805 -0.873 1.00 0.00 N ATOM 1461 CA ASP A 95 9.168 -1.679 0.405 1.00 0.00 C ATOM 1462 C ASP A 95 9.053 -0.206 0.772 1.00 0.00 C ATOM 1463 O ASP A 95 10.056 0.512 0.788 1.00 0.00 O ATOM 1464 CB ASP A 95 9.941 -2.431 1.496 1.00 0.00 C ATOM 1465 CG ASP A 95 9.145 -2.623 2.775 1.00 0.00 C ATOM 1466 OD1 ASP A 95 8.419 -1.697 3.187 1.00 0.00 O ATOM 1467 OD2 ASP A 95 9.263 -3.710 3.382 1.00 0.00 O ATOM 0 H ASP A 95 10.834 -2.089 -0.792 1.00 0.00 H new ATOM 0 HA ASP A 95 8.171 -2.111 0.321 1.00 0.00 H new ATOM 0 HB2 ASP A 95 10.240 -3.407 1.113 1.00 0.00 H new ATOM 0 HB3 ASP A 95 10.856 -1.885 1.725 1.00 0.00 H new ATOM 1472 N GLU A 96 7.843 0.242 1.067 1.00 0.00 N ATOM 1473 CA GLU A 96 7.606 1.650 1.335 1.00 0.00 C ATOM 1474 C GLU A 96 7.707 1.956 2.830 1.00 0.00 C ATOM 1475 O GLU A 96 7.590 3.114 3.239 1.00 0.00 O ATOM 1476 CB GLU A 96 6.236 2.078 0.803 1.00 0.00 C ATOM 1477 CG GLU A 96 6.027 1.785 -0.677 1.00 0.00 C ATOM 1478 CD GLU A 96 7.064 2.439 -1.576 1.00 0.00 C ATOM 1479 OE1 GLU A 96 6.890 3.621 -1.952 1.00 0.00 O ATOM 1480 OE2 GLU A 96 8.042 1.765 -1.949 1.00 0.00 O ATOM 0 H GLU A 96 7.013 -0.347 1.127 1.00 0.00 H new ATOM 0 HA GLU A 96 8.379 2.218 0.818 1.00 0.00 H new ATOM 0 HB2 GLU A 96 5.460 1.570 1.376 1.00 0.00 H new ATOM 0 HB3 GLU A 96 6.110 3.147 0.973 1.00 0.00 H new ATOM 0 HG2 GLU A 96 6.051 0.706 -0.833 1.00 0.00 H new ATOM 0 HG3 GLU A 96 5.035 2.128 -0.971 1.00 0.00 H new ATOM 1487 N GLY A 97 7.921 0.930 3.651 1.00 0.00 N ATOM 1488 CA GLY A 97 8.089 1.169 5.067 1.00 0.00 C ATOM 1489 C GLY A 97 7.719 -0.008 5.953 1.00 0.00 C ATOM 1490 O GLY A 97 6.630 -0.582 5.837 1.00 0.00 O ATOM 0 H GLY A 97 7.980 -0.047 3.363 1.00 0.00 H new ATOM 0 HA2 GLY A 97 9.128 1.437 5.256 1.00 0.00 H new ATOM 0 HA3 GLY A 97 7.481 2.027 5.352 1.00 0.00 H new ATOM 1494 N GLU A 98 8.632 -0.345 6.856 1.00 0.00 N ATOM 1495 CA GLU A 98 8.373 -1.319 7.910 1.00 0.00 C ATOM 1496 C GLU A 98 7.175 -0.882 8.746 1.00 0.00 C ATOM 1497 O GLU A 98 6.372 -1.704 9.193 1.00 0.00 O ATOM 1498 CB GLU A 98 9.605 -1.451 8.809 1.00 0.00 C ATOM 1499 CG GLU A 98 10.773 -2.177 8.163 1.00 0.00 C ATOM 1500 CD GLU A 98 10.697 -3.681 8.348 1.00 0.00 C ATOM 1501 OE1 GLU A 98 11.141 -4.170 9.408 1.00 0.00 O ATOM 1502 OE2 GLU A 98 10.197 -4.382 7.450 1.00 0.00 O ATOM 0 H GLU A 98 9.573 0.049 6.878 1.00 0.00 H new ATOM 0 HA GLU A 98 8.154 -2.283 7.452 1.00 0.00 H new ATOM 0 HB2 GLU A 98 9.931 -0.455 9.108 1.00 0.00 H new ATOM 0 HB3 GLU A 98 9.322 -1.980 9.719 1.00 0.00 H new ATOM 0 HG2 GLU A 98 10.796 -1.946 7.098 1.00 0.00 H new ATOM 0 HG3 GLU A 98 11.706 -1.809 8.589 1.00 0.00 H new ATOM 1509 N LEU A 99 7.059 0.427 8.948 1.00 0.00 N ATOM 1510 CA LEU A 99 5.944 0.999 9.688 1.00 0.00 C ATOM 1511 C LEU A 99 4.632 0.741 8.957 1.00 0.00 C ATOM 1512 O LEU A 99 3.601 0.497 9.580 1.00 0.00 O ATOM 1513 CB LEU A 99 6.159 2.503 9.880 1.00 0.00 C ATOM 1514 CG LEU A 99 5.077 3.229 10.684 1.00 0.00 C ATOM 1515 CD1 LEU A 99 4.972 2.655 12.087 1.00 0.00 C ATOM 1516 CD2 LEU A 99 5.365 4.723 10.738 1.00 0.00 C ATOM 0 H LEU A 99 7.730 1.114 8.606 1.00 0.00 H new ATOM 0 HA LEU A 99 5.892 0.523 10.667 1.00 0.00 H new ATOM 0 HB2 LEU A 99 7.118 2.654 10.376 1.00 0.00 H new ATOM 0 HB3 LEU A 99 6.231 2.970 8.898 1.00 0.00 H new ATOM 0 HG LEU A 99 4.121 3.079 10.182 1.00 0.00 H new ATOM 0 HD11 LEU A 99 4.197 3.186 12.640 1.00 0.00 H new ATOM 0 HD12 LEU A 99 4.716 1.597 12.029 1.00 0.00 H new ATOM 0 HD13 LEU A 99 5.927 2.770 12.600 1.00 0.00 H new ATOM 0 HD21 LEU A 99 4.586 5.223 11.313 1.00 0.00 H new ATOM 0 HD22 LEU A 99 6.331 4.890 11.214 1.00 0.00 H new ATOM 0 HD23 LEU A 99 5.384 5.127 9.726 1.00 0.00 H new ATOM 1528 N ALA A 100 4.687 0.773 7.631 1.00 0.00 N ATOM 1529 CA ALA A 100 3.513 0.526 6.806 1.00 0.00 C ATOM 1530 C ALA A 100 3.037 -0.914 6.972 1.00 0.00 C ATOM 1531 O ALA A 100 1.833 -1.184 6.998 1.00 0.00 O ATOM 1532 CB ALA A 100 3.822 0.824 5.346 1.00 0.00 C ATOM 0 H ALA A 100 5.537 0.969 7.103 1.00 0.00 H new ATOM 0 HA ALA A 100 2.712 1.190 7.132 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.936 0.635 4.741 1.00 0.00 H new ATOM 0 HB2 ALA A 100 4.116 1.868 5.242 1.00 0.00 H new ATOM 0 HB3 ALA A 100 4.636 0.182 5.008 1.00 0.00 H new ATOM 1538 N ALA A 101 3.993 -1.831 7.093 1.00 0.00 N ATOM 1539 CA ALA A 101 3.682 -3.236 7.329 1.00 0.00 C ATOM 1540 C ALA A 101 2.933 -3.410 8.651 1.00 0.00 C ATOM 1541 O ALA A 101 1.902 -4.081 8.711 1.00 0.00 O ATOM 1542 CB ALA A 101 4.960 -4.065 7.323 1.00 0.00 C ATOM 0 H ALA A 101 4.990 -1.625 7.031 1.00 0.00 H new ATOM 0 HA ALA A 101 3.035 -3.587 6.525 1.00 0.00 H new ATOM 0 HB1 ALA A 101 4.715 -5.112 7.500 1.00 0.00 H new ATOM 0 HB2 ALA A 101 5.453 -3.966 6.356 1.00 0.00 H new ATOM 0 HB3 ALA A 101 5.627 -3.710 8.109 1.00 0.00 H new ATOM 1548 N ALA A 102 3.447 -2.784 9.704 1.00 0.00 N ATOM 1549 CA ALA A 102 2.820 -2.859 11.022 1.00 0.00 C ATOM 1550 C ALA A 102 1.432 -2.216 11.006 1.00 0.00 C ATOM 1551 O ALA A 102 0.454 -2.797 11.497 1.00 0.00 O ATOM 1552 CB ALA A 102 3.704 -2.187 12.065 1.00 0.00 C ATOM 0 H ALA A 102 4.296 -2.219 9.672 1.00 0.00 H new ATOM 0 HA ALA A 102 2.703 -3.910 11.284 1.00 0.00 H new ATOM 0 HB1 ALA A 102 3.226 -2.250 13.042 1.00 0.00 H new ATOM 0 HB2 ALA A 102 4.670 -2.690 12.101 1.00 0.00 H new ATOM 0 HB3 ALA A 102 3.849 -1.140 11.799 1.00 0.00 H new ATOM 1558 N TRP A 103 1.357 -1.030 10.416 1.00 0.00 N ATOM 1559 CA TRP A 103 0.110 -0.278 10.318 1.00 0.00 C ATOM 1560 C TRP A 103 -1.013 -1.139 9.739 1.00 0.00 C ATOM 1561 O TRP A 103 -2.131 -1.155 10.263 1.00 0.00 O ATOM 1562 CB TRP A 103 0.338 0.963 9.447 1.00 0.00 C ATOM 1563 CG TRP A 103 -0.874 1.824 9.252 1.00 0.00 C ATOM 1564 CD1 TRP A 103 -1.418 2.697 10.151 1.00 0.00 C ATOM 1565 CD2 TRP A 103 -1.679 1.909 8.071 1.00 0.00 C ATOM 1566 NE1 TRP A 103 -2.514 3.313 9.600 1.00 0.00 N ATOM 1567 CE2 TRP A 103 -2.695 2.847 8.327 1.00 0.00 C ATOM 1568 CE3 TRP A 103 -1.644 1.282 6.822 1.00 0.00 C ATOM 1569 CZ2 TRP A 103 -3.660 3.175 7.385 1.00 0.00 C ATOM 1570 CZ3 TRP A 103 -2.604 1.608 5.885 1.00 0.00 C ATOM 1571 CH2 TRP A 103 -3.602 2.547 6.172 1.00 0.00 C ATOM 0 H TRP A 103 2.158 -0.561 9.992 1.00 0.00 H new ATOM 0 HA TRP A 103 -0.196 0.028 11.319 1.00 0.00 H new ATOM 0 HB2 TRP A 103 1.126 1.566 9.897 1.00 0.00 H new ATOM 0 HB3 TRP A 103 0.700 0.643 8.470 1.00 0.00 H new ATOM 0 HD1 TRP A 103 -1.042 2.876 11.147 1.00 0.00 H new ATOM 0 HE1 TRP A 103 -3.099 4.007 10.065 1.00 0.00 H new ATOM 0 HE3 TRP A 103 -0.879 0.555 6.594 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 -4.430 3.901 7.603 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 -2.585 1.132 4.916 1.00 0.00 H new ATOM 0 HH2 TRP A 103 -4.341 2.780 5.420 1.00 0.00 H new ATOM 1582 N ILE A 104 -0.717 -1.882 8.682 1.00 0.00 N ATOM 1583 CA ILE A 104 -1.745 -2.679 8.041 1.00 0.00 C ATOM 1584 C ILE A 104 -1.883 -4.056 8.697 1.00 0.00 C ATOM 1585 O ILE A 104 -2.937 -4.673 8.623 1.00 0.00 O ATOM 1586 CB ILE A 104 -1.520 -2.820 6.518 1.00 0.00 C ATOM 1587 CG1 ILE A 104 -2.873 -2.902 5.806 1.00 0.00 C ATOM 1588 CG2 ILE A 104 -0.693 -4.052 6.194 1.00 0.00 C ATOM 1589 CD1 ILE A 104 -3.793 -1.738 6.116 1.00 0.00 C ATOM 0 H ILE A 104 0.209 -1.948 8.259 1.00 0.00 H new ATOM 0 HA ILE A 104 -2.681 -2.139 8.182 1.00 0.00 H new ATOM 0 HB ILE A 104 -0.971 -1.944 6.171 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -2.706 -2.946 4.730 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -3.368 -3.831 6.090 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -0.553 -4.123 5.115 1.00 0.00 H new ATOM 0 HG22 ILE A 104 0.279 -3.977 6.682 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -1.211 -4.942 6.552 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -4.732 -1.863 5.577 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -3.991 -1.706 7.187 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -3.319 -0.807 5.806 1.00 0.00 H new ATOM 1601 N SER A 105 -0.844 -4.540 9.370 1.00 0.00 N ATOM 1602 CA SER A 105 -0.974 -5.801 10.089 1.00 0.00 C ATOM 1603 C SER A 105 -1.986 -5.635 11.220 1.00 0.00 C ATOM 1604 O SER A 105 -2.501 -6.609 11.758 1.00 0.00 O ATOM 1605 CB SER A 105 0.371 -6.294 10.629 1.00 0.00 C ATOM 1606 OG SER A 105 0.883 -5.432 11.633 1.00 0.00 O ATOM 0 H SER A 105 0.071 -4.094 9.433 1.00 0.00 H new ATOM 0 HA SER A 105 -1.329 -6.559 9.391 1.00 0.00 H new ATOM 0 HB2 SER A 105 0.253 -7.298 11.037 1.00 0.00 H new ATOM 0 HB3 SER A 105 1.087 -6.365 9.811 1.00 0.00 H new ATOM 0 HG SER A 105 0.622 -4.508 11.436 1.00 0.00 H new ATOM 1612 N ASN A 106 -2.251 -4.382 11.574 1.00 0.00 N ATOM 1613 CA ASN A 106 -3.328 -4.055 12.495 1.00 0.00 C ATOM 1614 C ASN A 106 -4.683 -4.005 11.775 1.00 0.00 C ATOM 1615 O ASN A 106 -5.603 -4.736 12.133 1.00 0.00 O ATOM 1616 CB ASN A 106 -3.052 -2.721 13.193 1.00 0.00 C ATOM 1617 CG ASN A 106 -2.058 -2.841 14.339 1.00 0.00 C ATOM 1618 OD1 ASN A 106 -2.445 -3.092 15.482 1.00 0.00 O ATOM 1619 ND2 ASN A 106 -0.779 -2.645 14.056 1.00 0.00 N ATOM 0 H ASN A 106 -1.730 -3.574 11.234 1.00 0.00 H new ATOM 0 HA ASN A 106 -3.372 -4.844 13.246 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -2.671 -2.008 12.462 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -3.990 -2.316 13.574 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -0.079 -2.700 14.796 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -0.494 -2.439 13.098 1.00 0.00 H new ATOM 1626 N HIS A 107 -4.802 -3.152 10.755 1.00 0.00 N ATOM 1627 CA HIS A 107 -6.078 -2.981 10.040 1.00 0.00 C ATOM 1628 C HIS A 107 -6.446 -4.222 9.221 1.00 0.00 C ATOM 1629 O HIS A 107 -7.594 -4.661 9.233 1.00 0.00 O ATOM 1630 CB HIS A 107 -6.024 -1.741 9.135 1.00 0.00 C ATOM 1631 CG HIS A 107 -7.231 -1.555 8.256 1.00 0.00 C ATOM 1632 ND1 HIS A 107 -8.399 -0.946 8.675 1.00 0.00 N ATOM 1633 CD2 HIS A 107 -7.436 -1.893 6.958 1.00 0.00 C ATOM 1634 CE1 HIS A 107 -9.261 -0.920 7.672 1.00 0.00 C ATOM 1635 NE2 HIS A 107 -8.701 -1.487 6.624 1.00 0.00 N ATOM 0 H HIS A 107 -4.040 -2.572 10.405 1.00 0.00 H new ATOM 0 HA HIS A 107 -6.856 -2.841 10.791 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -5.906 -0.856 9.760 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -5.138 -1.806 8.504 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -6.732 -2.391 6.308 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -10.257 -0.504 7.707 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -9.139 -1.605 5.710 1.00 0.00 H new ATOM 1644 N ALA A 108 -5.483 -4.766 8.493 1.00 0.00 N ATOM 1645 CA ALA A 108 -5.704 -5.985 7.729 1.00 0.00 C ATOM 1646 C ALA A 108 -5.755 -7.167 8.678 1.00 0.00 C ATOM 1647 O ALA A 108 -6.595 -8.053 8.546 1.00 0.00 O ATOM 1648 CB ALA A 108 -4.618 -6.183 6.681 1.00 0.00 C ATOM 0 H ALA A 108 -4.541 -4.383 8.415 1.00 0.00 H new ATOM 0 HA ALA A 108 -6.654 -5.903 7.201 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -4.810 -7.102 6.127 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -4.618 -5.337 5.993 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -3.647 -6.252 7.172 1.00 0.00 H new ATOM 1654 N GLY A 109 -4.843 -7.168 9.638 1.00 0.00 N ATOM 1655 CA GLY A 109 -4.863 -8.183 10.676 1.00 0.00 C ATOM 1656 C GLY A 109 -3.926 -9.331 10.383 1.00 0.00 C ATOM 1657 O GLY A 109 -3.379 -9.955 11.294 1.00 0.00 O ATOM 0 H GLY A 109 -4.089 -6.486 9.719 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -4.589 -7.729 11.628 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -5.878 -8.566 10.785 1.00 0.00 H new ATOM 1661 N VAL A 110 -3.736 -9.607 9.107 1.00 0.00 N ATOM 1662 CA VAL A 110 -2.873 -10.690 8.673 1.00 0.00 C ATOM 1663 C VAL A 110 -1.512 -10.139 8.256 1.00 0.00 C ATOM 1664 O VAL A 110 -1.371 -8.930 8.059 1.00 0.00 O ATOM 1665 CB VAL A 110 -3.514 -11.479 7.507 1.00 0.00 C ATOM 1666 CG1 VAL A 110 -4.722 -12.263 7.994 1.00 0.00 C ATOM 1667 CG2 VAL A 110 -3.917 -10.542 6.378 1.00 0.00 C ATOM 0 H VAL A 110 -4.173 -9.090 8.344 1.00 0.00 H new ATOM 0 HA VAL A 110 -2.738 -11.376 9.509 1.00 0.00 H new ATOM 0 HB VAL A 110 -2.772 -12.181 7.125 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -5.160 -12.812 7.160 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -4.412 -12.965 8.768 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -5.461 -11.575 8.404 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -4.365 -11.119 5.569 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -4.639 -9.815 6.749 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -3.035 -10.020 6.006 1.00 0.00 H new ATOM 1677 N PRO A 111 -0.484 -11.004 8.151 1.00 0.00 N ATOM 1678 CA PRO A 111 0.859 -10.586 7.738 1.00 0.00 C ATOM 1679 C PRO A 111 0.866 -9.970 6.343 1.00 0.00 C ATOM 1680 O PRO A 111 0.876 -10.679 5.332 1.00 0.00 O ATOM 1681 CB PRO A 111 1.677 -11.884 7.758 1.00 0.00 C ATOM 1682 CG PRO A 111 0.669 -12.981 7.729 1.00 0.00 C ATOM 1683 CD PRO A 111 -0.538 -12.447 8.442 1.00 0.00 C ATOM 0 HA PRO A 111 1.260 -9.815 8.396 1.00 0.00 H new ATOM 0 HB2 PRO A 111 2.346 -11.941 6.899 1.00 0.00 H new ATOM 0 HB3 PRO A 111 2.299 -11.944 8.651 1.00 0.00 H new ATOM 0 HG2 PRO A 111 0.425 -13.261 6.704 1.00 0.00 H new ATOM 0 HG3 PRO A 111 1.050 -13.875 8.222 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -1.458 -12.899 8.072 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -0.494 -12.645 9.513 1.00 0.00 H new ATOM 1691 N CYS A 112 0.818 -8.646 6.299 1.00 0.00 N ATOM 1692 CA CYS A 112 0.803 -7.919 5.045 1.00 0.00 C ATOM 1693 C CYS A 112 1.784 -6.756 5.085 1.00 0.00 C ATOM 1694 O CYS A 112 2.159 -6.281 6.159 1.00 0.00 O ATOM 1695 CB CYS A 112 -0.609 -7.418 4.738 1.00 0.00 C ATOM 1696 SG CYS A 112 -1.821 -8.739 4.532 1.00 0.00 S ATOM 0 H CYS A 112 0.789 -8.052 7.128 1.00 0.00 H new ATOM 0 HA CYS A 112 1.112 -8.598 4.250 1.00 0.00 H new ATOM 0 HB2 CYS A 112 -0.935 -6.761 5.544 1.00 0.00 H new ATOM 0 HB3 CYS A 112 -0.582 -6.817 3.829 1.00 0.00 H new ATOM 0 HG CYS A 112 -3.019 -8.236 4.553 1.00 0.00 H new ATOM 1702 N ARG A 113 2.191 -6.309 3.910 1.00 0.00 N ATOM 1703 CA ARG A 113 3.185 -5.262 3.780 1.00 0.00 C ATOM 1704 C ARG A 113 2.843 -4.357 2.602 1.00 0.00 C ATOM 1705 O ARG A 113 2.525 -4.844 1.519 1.00 0.00 O ATOM 1706 CB ARG A 113 4.553 -5.908 3.574 1.00 0.00 C ATOM 1707 CG ARG A 113 5.704 -4.929 3.477 1.00 0.00 C ATOM 1708 CD ARG A 113 7.022 -5.665 3.314 1.00 0.00 C ATOM 1709 NE ARG A 113 7.262 -6.602 4.408 1.00 0.00 N ATOM 1710 CZ ARG A 113 8.048 -6.334 5.445 1.00 0.00 C ATOM 1711 NH1 ARG A 113 8.702 -5.181 5.498 1.00 0.00 N ATOM 1712 NH2 ARG A 113 8.206 -7.232 6.412 1.00 0.00 N ATOM 0 H ARG A 113 1.841 -6.663 3.020 1.00 0.00 H new ATOM 0 HA ARG A 113 3.201 -4.653 4.684 1.00 0.00 H new ATOM 0 HB2 ARG A 113 4.745 -6.593 4.400 1.00 0.00 H new ATOM 0 HB3 ARG A 113 4.524 -6.506 2.663 1.00 0.00 H new ATOM 0 HG2 ARG A 113 5.548 -4.260 2.631 1.00 0.00 H new ATOM 0 HG3 ARG A 113 5.737 -4.308 4.372 1.00 0.00 H new ATOM 0 HD2 ARG A 113 7.021 -6.205 2.367 1.00 0.00 H new ATOM 0 HD3 ARG A 113 7.838 -4.943 3.269 1.00 0.00 H new ATOM 0 HE ARG A 113 6.801 -7.511 4.374 1.00 0.00 H new ATOM 0 HH11 ARG A 113 8.601 -4.502 4.743 1.00 0.00 H new ATOM 0 HH12 ARG A 113 9.306 -4.973 6.293 1.00 0.00 H new ATOM 0 HH21 ARG A 113 7.723 -8.129 6.359 1.00 0.00 H new ATOM 0 HH22 ARG A 113 8.810 -7.024 7.207 1.00 0.00 H new ATOM 1726 N ILE A 114 2.895 -3.049 2.814 1.00 0.00 N ATOM 1727 CA ILE A 114 2.622 -2.096 1.744 1.00 0.00 C ATOM 1728 C ILE A 114 3.854 -1.944 0.861 1.00 0.00 C ATOM 1729 O ILE A 114 4.927 -1.573 1.337 1.00 0.00 O ATOM 1730 CB ILE A 114 2.193 -0.716 2.292 1.00 0.00 C ATOM 1731 CG1 ILE A 114 0.965 -0.866 3.202 1.00 0.00 C ATOM 1732 CG2 ILE A 114 1.901 0.251 1.148 1.00 0.00 C ATOM 1733 CD1 ILE A 114 0.414 0.449 3.718 1.00 0.00 C ATOM 0 H ILE A 114 3.123 -2.624 3.713 1.00 0.00 H new ATOM 0 HA ILE A 114 1.792 -2.488 1.156 1.00 0.00 H new ATOM 0 HB ILE A 114 3.014 -0.305 2.880 1.00 0.00 H new ATOM 0 HG12 ILE A 114 0.180 -1.386 2.653 1.00 0.00 H new ATOM 0 HG13 ILE A 114 1.230 -1.495 4.052 1.00 0.00 H new ATOM 0 HG21 ILE A 114 1.601 1.216 1.555 1.00 0.00 H new ATOM 0 HG22 ILE A 114 2.797 0.376 0.540 1.00 0.00 H new ATOM 0 HG23 ILE A 114 1.096 -0.148 0.530 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -0.451 0.257 4.352 1.00 0.00 H new ATOM 0 HD12 ILE A 114 1.181 0.963 4.297 1.00 0.00 H new ATOM 0 HD13 ILE A 114 0.115 1.074 2.876 1.00 0.00 H new ATOM 1745 N LEU A 115 3.694 -2.245 -0.420 1.00 0.00 N ATOM 1746 CA LEU A 115 4.810 -2.264 -1.352 1.00 0.00 C ATOM 1747 C LEU A 115 4.470 -1.486 -2.617 1.00 0.00 C ATOM 1748 O LEU A 115 3.298 -1.319 -2.964 1.00 0.00 O ATOM 1749 CB LEU A 115 5.159 -3.712 -1.718 1.00 0.00 C ATOM 1750 CG LEU A 115 5.535 -4.617 -0.542 1.00 0.00 C ATOM 1751 CD1 LEU A 115 5.659 -6.061 -0.995 1.00 0.00 C ATOM 1752 CD2 LEU A 115 6.835 -4.152 0.088 1.00 0.00 C ATOM 0 H LEU A 115 2.794 -2.481 -0.839 1.00 0.00 H new ATOM 0 HA LEU A 115 5.667 -1.792 -0.871 1.00 0.00 H new ATOM 0 HB2 LEU A 115 4.307 -4.153 -2.235 1.00 0.00 H new ATOM 0 HB3 LEU A 115 5.989 -3.700 -2.424 1.00 0.00 H new ATOM 0 HG LEU A 115 4.742 -4.556 0.204 1.00 0.00 H new ATOM 0 HD11 LEU A 115 5.927 -6.688 -0.144 1.00 0.00 H new ATOM 0 HD12 LEU A 115 4.707 -6.396 -1.407 1.00 0.00 H new ATOM 0 HD13 LEU A 115 6.432 -6.137 -1.759 1.00 0.00 H new ATOM 0 HD21 LEU A 115 7.089 -4.805 0.923 1.00 0.00 H new ATOM 0 HD22 LEU A 115 7.632 -4.186 -0.655 1.00 0.00 H new ATOM 0 HD23 LEU A 115 6.719 -3.130 0.449 1.00 0.00 H new ATOM 1764 N LYS A 116 5.496 -1.009 -3.303 1.00 0.00 N ATOM 1765 CA LYS A 116 5.309 -0.290 -4.552 1.00 0.00 C ATOM 1766 C LYS A 116 6.059 -0.991 -5.679 1.00 0.00 C ATOM 1767 O LYS A 116 7.180 -1.463 -5.483 1.00 0.00 O ATOM 1768 CB LYS A 116 5.794 1.158 -4.416 1.00 0.00 C ATOM 1769 CG LYS A 116 5.579 1.998 -5.666 1.00 0.00 C ATOM 1770 CD LYS A 116 6.014 3.448 -5.474 1.00 0.00 C ATOM 1771 CE LYS A 116 7.531 3.623 -5.513 1.00 0.00 C ATOM 1772 NZ LYS A 116 8.204 3.096 -4.295 1.00 0.00 N ATOM 0 H LYS A 116 6.469 -1.107 -3.015 1.00 0.00 H new ATOM 0 HA LYS A 116 4.245 -0.279 -4.789 1.00 0.00 H new ATOM 0 HB2 LYS A 116 5.275 1.628 -3.580 1.00 0.00 H new ATOM 0 HB3 LYS A 116 6.856 1.154 -4.171 1.00 0.00 H new ATOM 0 HG2 LYS A 116 6.136 1.561 -6.495 1.00 0.00 H new ATOM 0 HG3 LYS A 116 4.525 1.971 -5.942 1.00 0.00 H new ATOM 0 HD2 LYS A 116 5.562 4.064 -6.252 1.00 0.00 H new ATOM 0 HD3 LYS A 116 5.636 3.812 -4.519 1.00 0.00 H new ATOM 0 HE2 LYS A 116 7.928 3.114 -6.391 1.00 0.00 H new ATOM 0 HE3 LYS A 116 7.767 4.681 -5.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 9.095 3.610 -4.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 7.582 3.226 -3.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 8.406 2.083 -4.420 1.00 0.00 H new ATOM 1786 N VAL A 117 5.425 -1.073 -6.846 1.00 0.00 N ATOM 1787 CA VAL A 117 6.054 -1.645 -8.033 1.00 0.00 C ATOM 1788 C VAL A 117 7.413 -0.987 -8.296 1.00 0.00 C ATOM 1789 O VAL A 117 7.556 0.234 -8.192 1.00 0.00 O ATOM 1790 CB VAL A 117 5.136 -1.495 -9.276 1.00 0.00 C ATOM 1791 CG1 VAL A 117 4.821 -0.030 -9.558 1.00 0.00 C ATOM 1792 CG2 VAL A 117 5.758 -2.155 -10.498 1.00 0.00 C ATOM 0 H VAL A 117 4.470 -0.748 -6.995 1.00 0.00 H new ATOM 0 HA VAL A 117 6.211 -2.708 -7.849 1.00 0.00 H new ATOM 0 HB VAL A 117 4.198 -2.004 -9.055 1.00 0.00 H new ATOM 0 HG11 VAL A 117 4.177 0.041 -10.434 1.00 0.00 H new ATOM 0 HG12 VAL A 117 4.313 0.405 -8.697 1.00 0.00 H new ATOM 0 HG13 VAL A 117 5.748 0.512 -9.744 1.00 0.00 H new ATOM 0 HG21 VAL A 117 5.094 -2.035 -11.354 1.00 0.00 H new ATOM 0 HG22 VAL A 117 6.718 -1.687 -10.715 1.00 0.00 H new ATOM 0 HG23 VAL A 117 5.908 -3.217 -10.301 1.00 0.00 H new ATOM 1802 N HIS A 118 8.412 -1.806 -8.598 1.00 0.00 N ATOM 1803 CA HIS A 118 9.764 -1.317 -8.827 1.00 0.00 C ATOM 1804 C HIS A 118 9.834 -0.603 -10.173 1.00 0.00 C ATOM 1805 O HIS A 118 9.589 -1.214 -11.203 1.00 0.00 O ATOM 1806 CB HIS A 118 10.762 -2.479 -8.787 1.00 0.00 C ATOM 1807 CG HIS A 118 12.195 -2.049 -8.753 1.00 0.00 C ATOM 1808 ND1 HIS A 118 13.152 -2.544 -9.604 1.00 0.00 N ATOM 1809 CD2 HIS A 118 12.832 -1.169 -7.951 1.00 0.00 C ATOM 1810 CE1 HIS A 118 14.315 -1.986 -9.327 1.00 0.00 C ATOM 1811 NE2 HIS A 118 14.151 -1.143 -8.330 1.00 0.00 N ATOM 0 H HIS A 118 8.310 -2.817 -8.690 1.00 0.00 H new ATOM 0 HA HIS A 118 10.025 -0.611 -8.039 1.00 0.00 H new ATOM 0 HB2 HIS A 118 10.556 -3.091 -7.909 1.00 0.00 H new ATOM 0 HB3 HIS A 118 10.603 -3.111 -9.661 1.00 0.00 H new ATOM 0 HD2 HIS A 118 12.385 -0.591 -7.156 1.00 0.00 H new ATOM 0 HE1 HIS A 118 15.247 -2.188 -9.834 1.00 0.00 H new ATOM 0 HE2 HIS A 118 14.881 -0.567 -7.910 1.00 0.00 H new ATOM 1820 N PRO A 119 10.188 0.697 -10.172 1.00 0.00 N ATOM 1821 CA PRO A 119 10.174 1.548 -11.376 1.00 0.00 C ATOM 1822 C PRO A 119 10.937 0.951 -12.560 1.00 0.00 C ATOM 1823 O PRO A 119 10.658 1.280 -13.713 1.00 0.00 O ATOM 1824 CB PRO A 119 10.848 2.852 -10.912 1.00 0.00 C ATOM 1825 CG PRO A 119 11.475 2.532 -9.597 1.00 0.00 C ATOM 1826 CD PRO A 119 10.628 1.453 -8.993 1.00 0.00 C ATOM 0 HA PRO A 119 9.157 1.677 -11.746 1.00 0.00 H new ATOM 0 HB2 PRO A 119 11.595 3.185 -11.632 1.00 0.00 H new ATOM 0 HB3 PRO A 119 10.119 3.657 -10.814 1.00 0.00 H new ATOM 0 HG2 PRO A 119 12.504 2.196 -9.726 1.00 0.00 H new ATOM 0 HG3 PRO A 119 11.505 3.411 -8.954 1.00 0.00 H new ATOM 0 HD2 PRO A 119 11.196 0.831 -8.301 1.00 0.00 H new ATOM 0 HD3 PRO A 119 9.785 1.863 -8.436 1.00 0.00 H new ATOM 1834 N ASP A 120 11.897 0.077 -12.269 1.00 0.00 N ATOM 1835 CA ASP A 120 12.671 -0.597 -13.310 1.00 0.00 C ATOM 1836 C ASP A 120 11.757 -1.393 -14.230 1.00 0.00 C ATOM 1837 O ASP A 120 11.934 -1.406 -15.448 1.00 0.00 O ATOM 1838 CB ASP A 120 13.712 -1.529 -12.685 1.00 0.00 C ATOM 1839 CG ASP A 120 14.573 -2.224 -13.722 1.00 0.00 C ATOM 1840 OD1 ASP A 120 14.176 -3.291 -14.224 1.00 0.00 O ATOM 1841 OD2 ASP A 120 15.660 -1.696 -14.041 1.00 0.00 O ATOM 0 H ASP A 120 12.159 -0.182 -11.318 1.00 0.00 H new ATOM 0 HA ASP A 120 13.183 0.166 -13.897 1.00 0.00 H new ATOM 0 HB2 ASP A 120 14.351 -0.955 -12.014 1.00 0.00 H new ATOM 0 HB3 ASP A 120 13.205 -2.279 -12.078 1.00 0.00 H new ATOM 1846 N MET A 121 10.763 -2.033 -13.642 1.00 0.00 N ATOM 1847 CA MET A 121 9.815 -2.831 -14.397 1.00 0.00 C ATOM 1848 C MET A 121 8.411 -2.255 -14.251 1.00 0.00 C ATOM 1849 O MET A 121 8.226 -1.190 -13.661 1.00 0.00 O ATOM 1850 CB MET A 121 9.867 -4.309 -13.967 1.00 0.00 C ATOM 1851 CG MET A 121 9.943 -4.540 -12.459 1.00 0.00 C ATOM 1852 SD MET A 121 8.406 -4.176 -11.591 1.00 0.00 S ATOM 1853 CE MET A 121 7.337 -5.457 -12.239 1.00 0.00 C ATOM 0 H MET A 121 10.591 -2.015 -12.637 1.00 0.00 H new ATOM 0 HA MET A 121 10.090 -2.793 -15.451 1.00 0.00 H new ATOM 0 HB2 MET A 121 8.982 -4.815 -14.353 1.00 0.00 H new ATOM 0 HB3 MET A 121 10.732 -4.778 -14.435 1.00 0.00 H new ATOM 0 HG2 MET A 121 10.218 -5.578 -12.273 1.00 0.00 H new ATOM 0 HG3 MET A 121 10.739 -3.921 -12.045 1.00 0.00 H new ATOM 0 HE1 MET A 121 6.487 -5.000 -12.745 1.00 0.00 H new ATOM 0 HE2 MET A 121 7.893 -6.072 -12.947 1.00 0.00 H new ATOM 0 HE3 MET A 121 6.979 -6.081 -11.420 1.00 0.00 H new ATOM 1863 N ALA A 122 7.435 -2.942 -14.815 1.00 0.00 N ATOM 1864 CA ALA A 122 6.058 -2.491 -14.764 1.00 0.00 C ATOM 1865 C ALA A 122 5.115 -3.666 -14.962 1.00 0.00 C ATOM 1866 O ALA A 122 5.548 -4.822 -14.970 1.00 0.00 O ATOM 1867 CB ALA A 122 5.808 -1.423 -15.821 1.00 0.00 C ATOM 0 H ALA A 122 7.572 -3.820 -15.316 1.00 0.00 H new ATOM 0 HA ALA A 122 5.870 -2.054 -13.783 1.00 0.00 H new ATOM 0 HB1 ALA A 122 4.770 -1.096 -15.769 1.00 0.00 H new ATOM 0 HB2 ALA A 122 6.466 -0.573 -15.642 1.00 0.00 H new ATOM 0 HB3 ALA A 122 6.009 -1.835 -16.810 1.00 0.00 H new ATOM 1873 N GLU A 123 3.836 -3.356 -15.129 1.00 0.00 N ATOM 1874 CA GLU A 123 2.798 -4.360 -15.323 1.00 0.00 C ATOM 1875 C GLU A 123 2.625 -5.222 -14.074 1.00 0.00 C ATOM 1876 O GLU A 123 2.688 -4.702 -12.960 1.00 0.00 O ATOM 1877 CB GLU A 123 3.079 -5.200 -16.572 1.00 0.00 C ATOM 1878 CG GLU A 123 2.968 -4.396 -17.854 1.00 0.00 C ATOM 1879 CD GLU A 123 1.578 -3.826 -18.052 1.00 0.00 C ATOM 1880 OE1 GLU A 123 1.257 -2.793 -17.428 1.00 0.00 O ATOM 1881 OE2 GLU A 123 0.795 -4.410 -18.830 1.00 0.00 O ATOM 0 H GLU A 123 3.488 -2.397 -15.134 1.00 0.00 H new ATOM 0 HA GLU A 123 1.850 -3.847 -15.487 1.00 0.00 H new ATOM 0 HB2 GLU A 123 4.080 -5.627 -16.501 1.00 0.00 H new ATOM 0 HB3 GLU A 123 2.379 -6.034 -16.609 1.00 0.00 H new ATOM 0 HG2 GLU A 123 3.693 -3.583 -17.835 1.00 0.00 H new ATOM 0 HG3 GLU A 123 3.223 -5.031 -18.703 1.00 0.00 H new ATOM 1888 N VAL A 124 2.422 -6.530 -14.263 1.00 0.00 N ATOM 1889 CA VAL A 124 1.973 -7.418 -13.194 1.00 0.00 C ATOM 1890 C VAL A 124 0.563 -7.011 -12.788 1.00 0.00 C ATOM 1891 O VAL A 124 0.362 -6.038 -12.072 1.00 0.00 O ATOM 1892 CB VAL A 124 2.906 -7.424 -11.955 1.00 0.00 C ATOM 1893 CG1 VAL A 124 2.457 -8.482 -10.957 1.00 0.00 C ATOM 1894 CG2 VAL A 124 4.349 -7.666 -12.370 1.00 0.00 C ATOM 0 H VAL A 124 2.564 -6.998 -15.158 1.00 0.00 H new ATOM 0 HA VAL A 124 1.993 -8.436 -13.584 1.00 0.00 H new ATOM 0 HB VAL A 124 2.846 -6.446 -11.477 1.00 0.00 H new ATOM 0 HG11 VAL A 124 3.122 -8.473 -10.093 1.00 0.00 H new ATOM 0 HG12 VAL A 124 1.439 -8.268 -10.633 1.00 0.00 H new ATOM 0 HG13 VAL A 124 2.488 -9.464 -11.429 1.00 0.00 H new ATOM 0 HG21 VAL A 124 4.987 -7.666 -11.486 1.00 0.00 H new ATOM 0 HG22 VAL A 124 4.426 -8.630 -12.873 1.00 0.00 H new ATOM 0 HG23 VAL A 124 4.670 -6.876 -13.048 1.00 0.00 H new ATOM 1904 N ARG A 125 -0.416 -7.748 -13.277 1.00 0.00 N ATOM 1905 CA ARG A 125 -1.810 -7.333 -13.162 1.00 0.00 C ATOM 1906 C ARG A 125 -2.567 -8.191 -12.160 1.00 0.00 C ATOM 1907 O ARG A 125 -3.790 -8.320 -12.260 1.00 0.00 O ATOM 1908 CB ARG A 125 -2.483 -7.422 -14.532 1.00 0.00 C ATOM 1909 CG ARG A 125 -1.751 -6.649 -15.611 1.00 0.00 C ATOM 1910 CD ARG A 125 -2.406 -6.823 -16.968 1.00 0.00 C ATOM 1911 NE ARG A 125 -1.619 -6.196 -18.024 1.00 0.00 N ATOM 1912 CZ ARG A 125 -2.030 -6.055 -19.279 1.00 0.00 C ATOM 1913 NH1 ARG A 125 -3.236 -6.468 -19.644 1.00 0.00 N ATOM 1914 NH2 ARG A 125 -1.229 -5.480 -20.162 1.00 0.00 N ATOM 0 H ARG A 125 -0.277 -8.637 -13.758 1.00 0.00 H new ATOM 0 HA ARG A 125 -1.830 -6.304 -12.803 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -2.552 -8.469 -14.828 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -3.503 -7.045 -14.453 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -1.730 -5.591 -15.350 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -0.715 -6.986 -15.661 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -2.525 -7.885 -17.183 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -3.405 -6.388 -16.950 1.00 0.00 H new ATOM 0 HE ARG A 125 -0.693 -5.843 -17.783 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -3.857 -6.898 -18.959 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -3.543 -6.355 -20.610 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -0.307 -5.151 -19.876 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -1.534 -5.366 -21.129 1.00 0.00 H new ATOM 1928 N TRP A 126 -1.835 -8.738 -11.183 1.00 0.00 N ATOM 1929 CA TRP A 126 -2.390 -9.690 -10.214 1.00 0.00 C ATOM 1930 C TRP A 126 -2.629 -11.034 -10.927 1.00 0.00 C ATOM 1931 O TRP A 126 -2.823 -11.052 -12.139 1.00 0.00 O ATOM 1932 CB TRP A 126 -3.691 -9.126 -9.592 1.00 0.00 C ATOM 1933 CG TRP A 126 -4.047 -9.716 -8.264 1.00 0.00 C ATOM 1934 CD1 TRP A 126 -3.468 -9.426 -7.065 1.00 0.00 C ATOM 1935 CD2 TRP A 126 -5.064 -10.688 -7.996 1.00 0.00 C ATOM 1936 NE1 TRP A 126 -4.043 -10.176 -6.070 1.00 0.00 N ATOM 1937 CE2 TRP A 126 -5.029 -10.956 -6.615 1.00 0.00 C ATOM 1938 CE3 TRP A 126 -5.993 -11.362 -8.789 1.00 0.00 C ATOM 1939 CZ2 TRP A 126 -5.885 -11.870 -6.015 1.00 0.00 C ATOM 1940 CZ3 TRP A 126 -6.844 -12.269 -8.189 1.00 0.00 C ATOM 1941 CH2 TRP A 126 -6.784 -12.515 -6.813 1.00 0.00 C ATOM 0 H TRP A 126 -0.846 -8.534 -11.042 1.00 0.00 H new ATOM 0 HA TRP A 126 -1.689 -9.849 -9.395 1.00 0.00 H new ATOM 0 HB2 TRP A 126 -3.588 -8.047 -9.481 1.00 0.00 H new ATOM 0 HB3 TRP A 126 -4.515 -9.298 -10.285 1.00 0.00 H new ATOM 0 HD1 TRP A 126 -2.673 -8.710 -6.919 1.00 0.00 H new ATOM 0 HE1 TRP A 126 -3.779 -10.156 -5.085 1.00 0.00 H new ATOM 0 HE3 TRP A 126 -6.046 -11.178 -9.852 1.00 0.00 H new ATOM 0 HZ2 TRP A 126 -5.841 -12.064 -4.953 1.00 0.00 H new ATOM 0 HZ3 TRP A 126 -7.568 -12.797 -8.792 1.00 0.00 H new ATOM 0 HH2 TRP A 126 -7.463 -13.230 -6.374 1.00 0.00 H new ATOM 1952 N PRO A 127 -2.570 -12.179 -10.211 1.00 0.00 N ATOM 1953 CA PRO A 127 -2.771 -13.519 -10.805 1.00 0.00 C ATOM 1954 C PRO A 127 -4.057 -13.653 -11.629 1.00 0.00 C ATOM 1955 O PRO A 127 -4.182 -14.581 -12.428 1.00 0.00 O ATOM 1956 CB PRO A 127 -2.831 -14.453 -9.583 1.00 0.00 C ATOM 1957 CG PRO A 127 -3.001 -13.547 -8.411 1.00 0.00 C ATOM 1958 CD PRO A 127 -2.273 -12.292 -8.779 1.00 0.00 C ATOM 0 HA PRO A 127 -1.973 -13.746 -11.512 1.00 0.00 H new ATOM 0 HB2 PRO A 127 -3.662 -15.154 -9.663 1.00 0.00 H new ATOM 0 HB3 PRO A 127 -1.921 -15.046 -9.495 1.00 0.00 H new ATOM 0 HG2 PRO A 127 -4.055 -13.349 -8.216 1.00 0.00 H new ATOM 0 HG3 PRO A 127 -2.587 -13.992 -7.506 1.00 0.00 H new ATOM 0 HD2 PRO A 127 -2.635 -11.430 -8.218 1.00 0.00 H new ATOM 0 HD3 PRO A 127 -1.203 -12.370 -8.589 1.00 0.00 H new