USER MOD reduce.3.24.130724 H: found=0, std=0, add=983, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 985 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 12 SER OG : rot -139:sc= -1.51 USER MOD Set 1.2: A 74 HIS : no HD1:sc= -3.88! C(o=-5.4!,f=-8.3!) USER MOD Set 2.1: A 10 TYR OH : rot 15:sc= -1.55 USER MOD Set 2.2: A 34 ASN : amide:sc=-0.00838 K(o=-11,f=-12) USER MOD Set 2.3: A 52 GLN :FLIP amide:sc= -9.63! C(o=-12!,f=-11!) USER MOD Set 2.4: A 95 MET CE :methyl 173:sc= -0.115 (180deg=-0.269) USER MOD Single : A 6 THR OG1 : rot -13:sc= 0.0445 USER MOD Single : A 7 THR OG1 : rot 120:sc= -0.415 USER MOD Single : A 13 GLN :FLIP amide:sc= -0.145 F(o=-1.3,f=-0.14) USER MOD Single : A 15 HIS :FLIP no HE2:sc= 0.21 F(o=-0.77,f=0.21) USER MOD Single : A 28 HIS : no HD1:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 116:sc= -0.462 USER MOD Single : A 46 ASN :FLIP amide:sc= -0.583 F(o=-3.9!,f=-0.58) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0.0166 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 94:sc= 1.23 USER MOD Single : A 69 GLN : amide:sc= -0.946 X(o=-0.95,f=-0.62) USER MOD Single : A 70 SER OG : rot 87:sc= 0.122 USER MOD Single : A 81 MET CE :methyl -139:sc= -5.74! (180deg=-6.43!) USER MOD Single : A 84 TYR OH : rot 52:sc= 0.217 USER MOD Single : A 85 SER OG : rot 180:sc= -1.48 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 HIS :FLIP no HD1:sc= -0.0863 F(o=-0.66,f=-0.086) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 THR OG1 : rot -31:sc= 0.953 USER MOD Single : A 128 MET CE :methyl -121:sc= -2.09 (180deg=-5.52!) USER MOD Single : A 133 SER OG : rot -77:sc= 0.62 USER MOD ----------------------------------------------------------------- ATOM 62 N LEU A 5 16.997 -3.294 4.784 1.00 0.00 N ATOM 63 CA LEU A 5 15.772 -2.754 4.230 1.00 0.00 C ATOM 64 C LEU A 5 14.592 -3.117 5.113 1.00 0.00 C ATOM 65 O LEU A 5 14.737 -3.852 6.090 1.00 0.00 O ATOM 66 CB LEU A 5 15.575 -3.302 2.820 1.00 0.00 C ATOM 67 CG LEU A 5 14.865 -2.369 1.843 1.00 0.00 C ATOM 68 CD1 LEU A 5 15.727 -1.146 1.575 1.00 0.00 C ATOM 69 CD2 LEU A 5 14.550 -3.098 0.548 1.00 0.00 C ATOM 0 HA LEU A 5 15.840 -1.667 4.185 1.00 0.00 H new ATOM 0 HB2 LEU A 5 16.552 -3.555 2.408 1.00 0.00 H new ATOM 0 HB3 LEU A 5 15.007 -4.230 2.886 1.00 0.00 H new ATOM 0 HG LEU A 5 13.924 -2.042 2.286 1.00 0.00 H new ATOM 0 HD11 LEU A 5 15.214 -0.485 0.877 1.00 0.00 H new ATOM 0 HD12 LEU A 5 15.908 -0.616 2.510 1.00 0.00 H new ATOM 0 HD13 LEU A 5 16.679 -1.459 1.145 1.00 0.00 H new ATOM 0 HD21 LEU A 5 14.044 -2.419 -0.138 1.00 0.00 H new ATOM 0 HD22 LEU A 5 15.476 -3.449 0.093 1.00 0.00 H new ATOM 0 HD23 LEU A 5 13.903 -3.950 0.758 1.00 0.00 H new ATOM 81 N THR A 6 13.428 -2.591 4.775 1.00 0.00 N ATOM 82 CA THR A 6 12.230 -2.852 5.552 1.00 0.00 C ATOM 83 C THR A 6 10.971 -2.618 4.718 1.00 0.00 C ATOM 84 O THR A 6 10.985 -1.856 3.758 1.00 0.00 O ATOM 85 CB THR A 6 12.202 -1.954 6.803 1.00 0.00 C ATOM 86 OG1 THR A 6 13.371 -2.188 7.597 1.00 0.00 O ATOM 87 CG2 THR A 6 10.961 -2.216 7.644 1.00 0.00 C ATOM 0 H THR A 6 13.287 -1.982 3.969 1.00 0.00 H new ATOM 0 HA THR A 6 12.249 -3.898 5.859 1.00 0.00 H new ATOM 0 HB THR A 6 12.181 -0.916 6.470 1.00 0.00 H new ATOM 0 HG1 THR A 6 13.821 -3.001 7.285 1.00 0.00 H new ATOM 0 HG21 THR A 6 10.971 -1.567 8.519 1.00 0.00 H new ATOM 0 HG22 THR A 6 10.070 -2.012 7.051 1.00 0.00 H new ATOM 0 HG23 THR A 6 10.952 -3.258 7.965 1.00 0.00 H new ATOM 95 N THR A 7 9.887 -3.281 5.096 1.00 0.00 N ATOM 96 CA THR A 7 8.619 -3.148 4.391 1.00 0.00 C ATOM 97 C THR A 7 7.517 -2.718 5.344 1.00 0.00 C ATOM 98 O THR A 7 6.955 -3.545 6.060 1.00 0.00 O ATOM 99 CB THR A 7 8.187 -4.469 3.726 1.00 0.00 C ATOM 100 OG1 THR A 7 9.236 -4.961 2.884 1.00 0.00 O ATOM 101 CG2 THR A 7 6.914 -4.275 2.903 1.00 0.00 C ATOM 0 H THR A 7 9.860 -3.920 5.891 1.00 0.00 H new ATOM 0 HA THR A 7 8.773 -2.393 3.620 1.00 0.00 H new ATOM 0 HB THR A 7 7.983 -5.195 4.513 1.00 0.00 H new ATOM 0 HG1 THR A 7 9.518 -5.846 3.196 1.00 0.00 H new ATOM 0 HG21 THR A 7 6.630 -5.222 2.444 1.00 0.00 H new ATOM 0 HG22 THR A 7 6.109 -3.931 3.553 1.00 0.00 H new ATOM 0 HG23 THR A 7 7.094 -3.534 2.124 1.00 0.00 H new ATOM 109 N LEU A 8 7.211 -1.431 5.365 1.00 0.00 N ATOM 110 CA LEU A 8 6.165 -0.932 6.217 1.00 0.00 C ATOM 111 C LEU A 8 4.873 -0.863 5.437 1.00 0.00 C ATOM 112 O LEU A 8 4.831 -0.321 4.340 1.00 0.00 O ATOM 113 CB LEU A 8 6.493 0.450 6.748 1.00 0.00 C ATOM 114 CG LEU A 8 5.267 1.195 7.235 1.00 0.00 C ATOM 115 CD1 LEU A 8 5.432 1.639 8.675 1.00 0.00 C ATOM 116 CD2 LEU A 8 4.961 2.362 6.319 1.00 0.00 C ATOM 0 H LEU A 8 7.676 -0.721 4.800 1.00 0.00 H new ATOM 0 HA LEU A 8 6.067 -1.612 7.063 1.00 0.00 H new ATOM 0 HB2 LEU A 8 7.208 0.360 7.566 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.978 1.031 5.963 1.00 0.00 H new ATOM 0 HG LEU A 8 4.415 0.515 7.207 1.00 0.00 H new ATOM 0 HD11 LEU A 8 4.537 2.171 8.997 1.00 0.00 H new ATOM 0 HD12 LEU A 8 5.583 0.766 9.310 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.295 2.300 8.755 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.078 2.887 6.682 1.00 0.00 H new ATOM 0 HD22 LEU A 8 5.810 3.046 6.305 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.775 1.994 5.310 1.00 0.00 H new ATOM 128 N ILE A 9 3.826 -1.403 6.007 1.00 0.00 N ATOM 129 CA ILE A 9 2.537 -1.391 5.365 1.00 0.00 C ATOM 130 C ILE A 9 1.500 -0.757 6.283 1.00 0.00 C ATOM 131 O ILE A 9 1.652 -0.772 7.501 1.00 0.00 O ATOM 132 CB ILE A 9 2.103 -2.808 4.969 1.00 0.00 C ATOM 133 CG1 ILE A 9 3.149 -3.470 4.071 1.00 0.00 C ATOM 134 CG2 ILE A 9 0.765 -2.768 4.266 1.00 0.00 C ATOM 135 CD1 ILE A 9 2.702 -4.820 3.561 1.00 0.00 C ATOM 0 H ILE A 9 3.842 -1.859 6.919 1.00 0.00 H new ATOM 0 HA ILE A 9 2.616 -0.797 4.455 1.00 0.00 H new ATOM 0 HB ILE A 9 2.009 -3.401 5.879 1.00 0.00 H new ATOM 0 HG12 ILE A 9 3.362 -2.817 3.224 1.00 0.00 H new ATOM 0 HG13 ILE A 9 4.080 -3.585 4.626 1.00 0.00 H new ATOM 0 HG21 ILE A 9 0.468 -3.780 3.990 1.00 0.00 H new ATOM 0 HG22 ILE A 9 0.016 -2.339 4.932 1.00 0.00 H new ATOM 0 HG23 ILE A 9 0.844 -2.156 3.368 1.00 0.00 H new ATOM 0 HD11 ILE A 9 3.481 -5.246 2.929 1.00 0.00 H new ATOM 0 HD12 ILE A 9 2.516 -5.484 4.405 1.00 0.00 H new ATOM 0 HD13 ILE A 9 1.786 -4.705 2.981 1.00 0.00 H new ATOM 147 N TYR A 10 0.470 -0.171 5.691 1.00 0.00 N ATOM 148 CA TYR A 10 -0.587 0.480 6.460 1.00 0.00 C ATOM 149 C TYR A 10 -1.860 0.588 5.644 1.00 0.00 C ATOM 150 O TYR A 10 -1.871 0.318 4.444 1.00 0.00 O ATOM 151 CB TYR A 10 -0.161 1.885 6.912 1.00 0.00 C ATOM 152 CG TYR A 10 -0.020 2.884 5.784 1.00 0.00 C ATOM 153 CD1 TYR A 10 -1.132 3.540 5.269 1.00 0.00 C ATOM 154 CD2 TYR A 10 1.223 3.176 5.242 1.00 0.00 C ATOM 155 CE1 TYR A 10 -1.010 4.458 4.247 1.00 0.00 C ATOM 156 CE2 TYR A 10 1.354 4.094 4.220 1.00 0.00 C ATOM 157 CZ TYR A 10 0.235 4.733 3.725 1.00 0.00 C ATOM 158 OH TYR A 10 0.359 5.648 2.706 1.00 0.00 O ATOM 0 H TYR A 10 0.341 -0.131 4.680 1.00 0.00 H new ATOM 0 HA TYR A 10 -0.771 -0.137 7.340 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -0.893 2.262 7.627 1.00 0.00 H new ATOM 0 HB3 TYR A 10 0.791 1.812 7.439 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -2.109 3.327 5.677 1.00 0.00 H new ATOM 0 HD2 TYR A 10 2.101 2.678 5.625 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -1.885 4.958 3.858 1.00 0.00 H new ATOM 0 HE2 TYR A 10 2.329 4.312 3.809 1.00 0.00 H new ATOM 0 HH TYR A 10 -0.465 6.173 2.636 1.00 0.00 H new ATOM 168 N ARG A 11 -2.933 0.983 6.309 1.00 0.00 N ATOM 169 CA ARG A 11 -4.210 1.166 5.642 1.00 0.00 C ATOM 170 C ARG A 11 -5.017 2.254 6.328 1.00 0.00 C ATOM 171 O ARG A 11 -5.135 2.286 7.554 1.00 0.00 O ATOM 172 CB ARG A 11 -5.002 -0.141 5.585 1.00 0.00 C ATOM 173 CG ARG A 11 -5.779 -0.462 6.848 1.00 0.00 C ATOM 174 CD ARG A 11 -6.518 -1.785 6.719 1.00 0.00 C ATOM 175 NE ARG A 11 -7.119 -2.202 7.982 1.00 0.00 N ATOM 176 CZ ARG A 11 -7.847 -3.307 8.123 1.00 0.00 C ATOM 177 NH1 ARG A 11 -8.070 -4.095 7.079 1.00 0.00 N ATOM 178 NH2 ARG A 11 -8.353 -3.623 9.306 1.00 0.00 N ATOM 0 H ARG A 11 -2.945 1.183 7.309 1.00 0.00 H new ATOM 0 HA ARG A 11 -4.010 1.476 4.616 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -5.698 -0.093 4.748 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -4.313 -0.960 5.380 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -5.096 -0.505 7.697 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -6.492 0.337 7.052 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -7.295 -1.693 5.961 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -5.827 -2.554 6.375 1.00 0.00 H new ATOM 0 HE ARG A 11 -6.973 -1.614 8.802 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -7.683 -3.854 6.166 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -8.628 -4.942 7.189 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -8.185 -3.019 10.110 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -8.911 -4.470 9.412 1.00 0.00 H new ATOM 192 N SER A 12 -5.561 3.151 5.524 1.00 0.00 N ATOM 193 CA SER A 12 -6.355 4.253 6.034 1.00 0.00 C ATOM 194 C SER A 12 -7.741 4.216 5.432 1.00 0.00 C ATOM 195 O SER A 12 -8.203 3.171 4.977 1.00 0.00 O ATOM 196 CB SER A 12 -5.693 5.589 5.697 1.00 0.00 C ATOM 197 OG SER A 12 -5.576 5.754 4.296 1.00 0.00 O ATOM 0 H SER A 12 -5.466 3.136 4.509 1.00 0.00 H new ATOM 0 HA SER A 12 -6.426 4.153 7.117 1.00 0.00 H new ATOM 0 HB2 SER A 12 -6.280 6.406 6.116 1.00 0.00 H new ATOM 0 HB3 SER A 12 -4.706 5.637 6.157 1.00 0.00 H new ATOM 0 HG SER A 12 -4.704 6.149 4.085 1.00 0.00 H new ATOM 203 N GLN A 13 -8.402 5.359 5.432 1.00 0.00 N ATOM 204 CA GLN A 13 -9.725 5.458 4.857 1.00 0.00 C ATOM 205 C GLN A 13 -9.773 6.592 3.843 1.00 0.00 C ATOM 206 O GLN A 13 -8.874 6.744 3.015 1.00 0.00 O ATOM 207 CB GLN A 13 -10.779 5.664 5.940 1.00 0.00 C ATOM 208 CG GLN A 13 -10.756 4.615 7.022 1.00 0.00 C ATOM 209 CD GLN A 13 -12.124 4.028 7.303 1.00 0.00 C ATOM 210 OE1 GLN A 13 -13.150 4.868 7.243 1.00 0.00 O flip ATOM 211 NE2 GLN A 13 -12.256 2.839 7.592 1.00 0.00 N flip ATOM 0 H GLN A 13 -8.042 6.229 5.824 1.00 0.00 H new ATOM 0 HA GLN A 13 -9.947 4.521 4.347 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -10.632 6.644 6.394 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -11.765 5.672 5.476 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -10.076 3.815 6.731 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -10.359 5.053 7.938 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -11.439 2.229 7.626 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -13.182 2.464 7.797 1.00 0.00 H new ATOM 220 N VAL A 14 -10.832 7.371 3.916 1.00 0.00 N ATOM 221 CA VAL A 14 -11.037 8.494 3.018 1.00 0.00 C ATOM 222 C VAL A 14 -12.248 9.295 3.480 1.00 0.00 C ATOM 223 O VAL A 14 -12.841 8.980 4.508 1.00 0.00 O ATOM 224 CB VAL A 14 -11.273 8.000 1.579 1.00 0.00 C ATOM 225 CG1 VAL A 14 -12.717 7.561 1.414 1.00 0.00 C ATOM 226 CG2 VAL A 14 -10.900 9.068 0.559 1.00 0.00 C ATOM 0 H VAL A 14 -11.578 7.245 4.600 1.00 0.00 H new ATOM 0 HA VAL A 14 -10.146 9.122 3.033 1.00 0.00 H new ATOM 0 HB VAL A 14 -10.626 7.142 1.396 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -12.877 7.213 0.394 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -12.933 6.752 2.112 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -13.379 8.403 1.618 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -11.078 8.688 -0.447 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -11.508 9.957 0.724 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -9.846 9.324 0.669 1.00 0.00 H new ATOM 236 N HIS A 15 -12.618 10.315 2.725 1.00 0.00 N ATOM 237 CA HIS A 15 -13.767 11.130 3.069 1.00 0.00 C ATOM 238 C HIS A 15 -15.005 10.676 2.300 1.00 0.00 C ATOM 239 O HIS A 15 -15.233 11.115 1.172 1.00 0.00 O ATOM 240 CB HIS A 15 -13.481 12.591 2.772 1.00 0.00 C ATOM 241 CG HIS A 15 -12.890 13.329 3.929 1.00 0.00 C ATOM 242 ND1 HIS A 15 -11.601 13.513 4.287 1.00 0.00 N flip ATOM 243 CD2 HIS A 15 -13.648 13.974 4.884 1.00 0.00 C flip ATOM 244 CE1 HIS A 15 -11.598 14.258 5.440 1.00 0.00 C flip ATOM 245 NE2 HIS A 15 -12.846 14.524 5.780 1.00 0.00 N flip ATOM 0 H HIS A 15 -12.139 10.597 1.870 1.00 0.00 H new ATOM 0 HA HIS A 15 -13.960 11.013 4.135 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -12.799 12.655 1.924 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -14.408 13.081 2.473 1.00 0.00 H new ATOM 0 HD1 HIS A 15 -10.781 13.163 3.792 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -14.727 14.022 4.898 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -10.718 14.575 5.981 1.00 0.00 H new ATOM 254 N PRO A 16 -15.819 9.783 2.895 1.00 0.00 N ATOM 255 CA PRO A 16 -17.042 9.278 2.256 1.00 0.00 C ATOM 256 C PRO A 16 -17.975 10.399 1.834 1.00 0.00 C ATOM 257 O PRO A 16 -18.881 10.205 1.024 1.00 0.00 O ATOM 258 CB PRO A 16 -17.695 8.424 3.344 1.00 0.00 C ATOM 259 CG PRO A 16 -17.031 8.835 4.615 1.00 0.00 C ATOM 260 CD PRO A 16 -15.628 9.192 4.229 1.00 0.00 C ATOM 0 HA PRO A 16 -16.822 8.727 1.342 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -18.770 8.597 3.388 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -17.551 7.361 3.150 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -17.542 9.684 5.070 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -17.045 8.026 5.346 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -15.180 9.898 4.928 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -14.978 8.318 4.199 1.00 0.00 H new ATOM 268 N ASP A 17 -17.737 11.570 2.393 1.00 0.00 N ATOM 269 CA ASP A 17 -18.545 12.746 2.095 1.00 0.00 C ATOM 270 C ASP A 17 -17.963 13.529 0.919 1.00 0.00 C ATOM 271 O ASP A 17 -18.694 14.192 0.184 1.00 0.00 O ATOM 272 CB ASP A 17 -18.638 13.642 3.329 1.00 0.00 C ATOM 273 CG ASP A 17 -19.568 14.822 3.119 1.00 0.00 C ATOM 274 OD1 ASP A 17 -20.792 14.653 3.303 1.00 0.00 O ATOM 275 OD2 ASP A 17 -19.072 15.914 2.770 1.00 0.00 O ATOM 0 H ASP A 17 -16.985 11.737 3.062 1.00 0.00 H new ATOM 0 HA ASP A 17 -19.545 12.412 1.818 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -18.989 13.053 4.177 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -17.644 14.008 3.585 1.00 0.00 H new ATOM 280 N ARG A 18 -16.646 13.447 0.748 1.00 0.00 N ATOM 281 CA ARG A 18 -15.969 14.150 -0.336 1.00 0.00 C ATOM 282 C ARG A 18 -15.998 13.316 -1.624 1.00 0.00 C ATOM 283 O ARG A 18 -16.416 12.158 -1.602 1.00 0.00 O ATOM 284 CB ARG A 18 -14.527 14.474 0.079 1.00 0.00 C ATOM 285 CG ARG A 18 -13.488 13.513 -0.466 1.00 0.00 C ATOM 286 CD ARG A 18 -12.083 13.992 -0.156 1.00 0.00 C ATOM 287 NE ARG A 18 -11.098 13.422 -1.071 1.00 0.00 N ATOM 288 CZ ARG A 18 -10.453 14.131 -1.993 1.00 0.00 C ATOM 289 NH1 ARG A 18 -10.685 15.432 -2.116 1.00 0.00 N ATOM 290 NH2 ARG A 18 -9.578 13.541 -2.796 1.00 0.00 N ATOM 0 H ARG A 18 -16.027 12.900 1.347 1.00 0.00 H new ATOM 0 HA ARG A 18 -16.493 15.085 -0.536 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -14.283 15.482 -0.256 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -14.467 14.476 1.167 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -13.642 12.524 -0.034 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -13.611 13.413 -1.544 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -12.049 15.080 -0.218 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -11.825 13.722 0.868 1.00 0.00 H new ATOM 0 HE ARG A 18 -10.893 12.425 -0.999 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -11.359 15.890 -1.503 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -10.189 15.974 -2.824 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -9.398 12.541 -2.707 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -9.085 14.087 -3.502 1.00 0.00 H new ATOM 304 N PRO A 19 -15.551 13.887 -2.767 1.00 0.00 N ATOM 305 CA PRO A 19 -15.538 13.182 -4.048 1.00 0.00 C ATOM 306 C PRO A 19 -14.339 12.237 -4.178 1.00 0.00 C ATOM 307 O PRO A 19 -13.500 12.170 -3.281 1.00 0.00 O ATOM 308 CB PRO A 19 -15.462 14.310 -5.090 1.00 0.00 C ATOM 309 CG PRO A 19 -15.375 15.598 -4.327 1.00 0.00 C ATOM 310 CD PRO A 19 -15.021 15.247 -2.911 1.00 0.00 C ATOM 0 HA PRO A 19 -16.414 12.545 -4.169 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -14.592 14.183 -5.735 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -16.341 14.301 -5.735 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -14.620 16.253 -4.762 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -16.323 16.134 -4.366 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -13.944 15.281 -2.744 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -15.476 15.935 -2.199 1.00 0.00 H new ATOM 318 N PRO A 20 -14.242 11.491 -5.299 1.00 0.00 N ATOM 319 CA PRO A 20 -13.143 10.543 -5.528 1.00 0.00 C ATOM 320 C PRO A 20 -11.763 11.182 -5.393 1.00 0.00 C ATOM 321 O PRO A 20 -11.621 12.405 -5.439 1.00 0.00 O ATOM 322 CB PRO A 20 -13.372 10.068 -6.964 1.00 0.00 C ATOM 323 CG PRO A 20 -14.823 10.289 -7.213 1.00 0.00 C ATOM 324 CD PRO A 20 -15.189 11.514 -6.428 1.00 0.00 C ATOM 0 HA PRO A 20 -13.150 9.742 -4.789 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -12.760 10.631 -7.669 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -13.107 9.017 -7.080 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -15.020 10.432 -8.275 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -15.411 9.429 -6.892 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -15.082 12.420 -7.024 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -16.223 11.478 -6.086 1.00 0.00 H new ATOM 332 N VAL A 21 -10.750 10.336 -5.226 1.00 0.00 N ATOM 333 CA VAL A 21 -9.373 10.789 -5.081 1.00 0.00 C ATOM 334 C VAL A 21 -8.665 10.857 -6.427 1.00 0.00 C ATOM 335 O VAL A 21 -9.000 10.121 -7.353 1.00 0.00 O ATOM 336 CB VAL A 21 -8.570 9.844 -4.171 1.00 0.00 C ATOM 337 CG1 VAL A 21 -7.112 10.237 -4.154 1.00 0.00 C ATOM 338 CG2 VAL A 21 -9.119 9.833 -2.759 1.00 0.00 C ATOM 0 H VAL A 21 -10.861 9.323 -5.188 1.00 0.00 H new ATOM 0 HA VAL A 21 -9.420 11.784 -4.638 1.00 0.00 H new ATOM 0 HB VAL A 21 -8.664 8.838 -4.579 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.560 9.557 -3.505 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.708 10.182 -5.165 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -7.014 11.256 -3.780 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -8.528 9.155 -2.144 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -9.069 10.839 -2.341 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -10.156 9.498 -2.774 1.00 0.00 H new ATOM 348 N ASP A 22 -7.687 11.751 -6.525 1.00 0.00 N ATOM 349 CA ASP A 22 -6.904 11.887 -7.739 1.00 0.00 C ATOM 350 C ASP A 22 -5.805 10.843 -7.746 1.00 0.00 C ATOM 351 O ASP A 22 -4.629 11.161 -7.784 1.00 0.00 O ATOM 352 CB ASP A 22 -6.310 13.291 -7.853 1.00 0.00 C ATOM 353 CG ASP A 22 -7.376 14.362 -7.989 1.00 0.00 C ATOM 354 OD1 ASP A 22 -7.845 14.591 -9.124 1.00 0.00 O ATOM 355 OD2 ASP A 22 -7.742 14.969 -6.961 1.00 0.00 O ATOM 0 H ASP A 22 -7.421 12.390 -5.776 1.00 0.00 H new ATOM 0 HA ASP A 22 -7.556 11.733 -8.599 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -5.702 13.498 -6.972 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -5.646 13.332 -8.716 1.00 0.00 H new ATOM 360 N LEU A 23 -6.231 9.590 -7.704 1.00 0.00 N ATOM 361 CA LEU A 23 -5.354 8.425 -7.686 1.00 0.00 C ATOM 362 C LEU A 23 -4.341 8.406 -8.821 1.00 0.00 C ATOM 363 O LEU A 23 -3.624 7.429 -8.997 1.00 0.00 O ATOM 364 CB LEU A 23 -6.224 7.193 -7.751 1.00 0.00 C ATOM 365 CG LEU A 23 -7.393 7.220 -6.773 1.00 0.00 C ATOM 366 CD1 LEU A 23 -8.387 6.118 -7.086 1.00 0.00 C ATOM 367 CD2 LEU A 23 -6.881 7.078 -5.351 1.00 0.00 C ATOM 0 H LEU A 23 -7.221 9.347 -7.681 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.768 8.459 -6.768 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.611 7.085 -8.764 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.611 6.315 -7.548 1.00 0.00 H new ATOM 0 HG LEU A 23 -7.905 8.177 -6.874 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -9.211 6.159 -6.374 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -8.773 6.252 -8.096 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -7.892 5.150 -7.013 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -7.722 7.098 -4.658 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -6.349 6.132 -5.249 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.204 7.902 -5.124 1.00 0.00 H new ATOM 379 N ASP A 24 -4.322 9.450 -9.619 1.00 0.00 N ATOM 380 CA ASP A 24 -3.376 9.574 -10.687 1.00 0.00 C ATOM 381 C ASP A 24 -2.284 10.523 -10.249 1.00 0.00 C ATOM 382 O ASP A 24 -1.092 10.285 -10.437 1.00 0.00 O ATOM 383 CB ASP A 24 -4.083 10.141 -11.895 1.00 0.00 C ATOM 384 CG ASP A 24 -4.688 9.072 -12.784 1.00 0.00 C ATOM 385 OD1 ASP A 24 -5.844 8.673 -12.530 1.00 0.00 O ATOM 386 OD2 ASP A 24 -4.006 8.635 -13.735 1.00 0.00 O ATOM 0 H ASP A 24 -4.968 10.236 -9.539 1.00 0.00 H new ATOM 0 HA ASP A 24 -2.946 8.604 -10.936 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -4.870 10.818 -11.564 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -3.377 10.733 -12.477 1.00 0.00 H new ATOM 391 N ALA A 25 -2.746 11.606 -9.658 1.00 0.00 N ATOM 392 CA ALA A 25 -1.897 12.663 -9.152 1.00 0.00 C ATOM 393 C ALA A 25 -1.413 12.344 -7.739 1.00 0.00 C ATOM 394 O ALA A 25 -0.334 12.770 -7.318 1.00 0.00 O ATOM 395 CB ALA A 25 -2.690 13.957 -9.169 1.00 0.00 C ATOM 0 H ALA A 25 -3.741 11.779 -9.514 1.00 0.00 H new ATOM 0 HA ALA A 25 -1.013 12.760 -9.782 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -2.069 14.769 -8.791 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -2.999 14.181 -10.190 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -3.573 13.851 -8.538 1.00 0.00 H new ATOM 401 N LEU A 26 -2.224 11.567 -7.032 1.00 0.00 N ATOM 402 CA LEU A 26 -1.952 11.170 -5.662 1.00 0.00 C ATOM 403 C LEU A 26 -0.723 10.275 -5.598 1.00 0.00 C ATOM 404 O LEU A 26 0.124 10.417 -4.714 1.00 0.00 O ATOM 405 CB LEU A 26 -3.200 10.456 -5.111 1.00 0.00 C ATOM 406 CG LEU A 26 -2.972 9.336 -4.090 1.00 0.00 C ATOM 407 CD1 LEU A 26 -4.236 9.112 -3.284 1.00 0.00 C ATOM 408 CD2 LEU A 26 -2.576 8.040 -4.777 1.00 0.00 C ATOM 0 H LEU A 26 -3.098 11.192 -7.401 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.738 12.046 -5.050 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.843 11.206 -4.651 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.750 10.038 -5.954 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.160 9.640 -3.430 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.069 8.315 -2.560 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.500 10.030 -2.759 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.049 8.830 -3.953 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.421 7.264 -4.028 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.369 7.733 -5.459 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.654 8.192 -5.338 1.00 0.00 H new ATOM 420 N VAL A 27 -0.640 9.356 -6.544 1.00 0.00 N ATOM 421 CA VAL A 27 0.474 8.425 -6.616 1.00 0.00 C ATOM 422 C VAL A 27 1.651 9.033 -7.376 1.00 0.00 C ATOM 423 O VAL A 27 2.808 8.719 -7.100 1.00 0.00 O ATOM 424 CB VAL A 27 0.046 7.102 -7.285 1.00 0.00 C ATOM 425 CG1 VAL A 27 -0.964 7.368 -8.385 1.00 0.00 C ATOM 426 CG2 VAL A 27 1.245 6.339 -7.829 1.00 0.00 C ATOM 0 H VAL A 27 -1.337 9.234 -7.279 1.00 0.00 H new ATOM 0 HA VAL A 27 0.790 8.215 -5.594 1.00 0.00 H new ATOM 0 HB VAL A 27 -0.423 6.479 -6.523 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.256 6.425 -8.847 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.844 7.852 -7.962 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.519 8.018 -9.138 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.907 5.413 -8.293 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.759 6.950 -8.571 1.00 0.00 H new ATOM 0 HG23 VAL A 27 1.929 6.107 -7.013 1.00 0.00 H new ATOM 436 N HIS A 28 1.345 9.906 -8.331 1.00 0.00 N ATOM 437 CA HIS A 28 2.375 10.555 -9.138 1.00 0.00 C ATOM 438 C HIS A 28 3.405 11.250 -8.257 1.00 0.00 C ATOM 439 O HIS A 28 4.599 10.949 -8.320 1.00 0.00 O ATOM 440 CB HIS A 28 1.739 11.571 -10.082 1.00 0.00 C ATOM 441 CG HIS A 28 2.702 12.161 -11.065 1.00 0.00 C ATOM 442 ND1 HIS A 28 3.292 13.396 -10.892 1.00 0.00 N ATOM 443 CD2 HIS A 28 3.174 11.681 -12.240 1.00 0.00 C ATOM 444 CE1 HIS A 28 4.085 13.650 -11.918 1.00 0.00 C ATOM 445 NE2 HIS A 28 4.031 12.625 -12.748 1.00 0.00 N ATOM 0 H HIS A 28 0.391 10.181 -8.566 1.00 0.00 H new ATOM 0 HA HIS A 28 2.881 9.785 -9.720 1.00 0.00 H new ATOM 0 HB2 HIS A 28 0.926 11.090 -10.626 1.00 0.00 H new ATOM 0 HB3 HIS A 28 1.296 12.374 -9.493 1.00 0.00 H new ATOM 0 HD2 HIS A 28 2.923 10.733 -12.693 1.00 0.00 H new ATOM 0 HE1 HIS A 28 4.676 14.543 -12.054 1.00 0.00 H new ATOM 0 HE2 HIS A 28 4.544 12.547 -13.626 1.00 0.00 H new ATOM 454 N ARG A 29 2.935 12.181 -7.434 1.00 0.00 N ATOM 455 CA ARG A 29 3.814 12.929 -6.543 1.00 0.00 C ATOM 456 C ARG A 29 4.515 12.012 -5.550 1.00 0.00 C ATOM 457 O ARG A 29 5.565 12.358 -5.008 1.00 0.00 O ATOM 458 CB ARG A 29 3.031 14.015 -5.800 1.00 0.00 C ATOM 459 CG ARG A 29 2.813 15.280 -6.618 1.00 0.00 C ATOM 460 CD ARG A 29 1.876 15.039 -7.791 1.00 0.00 C ATOM 461 NE ARG A 29 1.766 16.213 -8.655 1.00 0.00 N ATOM 462 CZ ARG A 29 0.609 16.722 -9.064 1.00 0.00 C ATOM 463 NH1 ARG A 29 -0.535 16.173 -8.680 1.00 0.00 N ATOM 464 NH2 ARG A 29 0.594 17.786 -9.855 1.00 0.00 N ATOM 0 H ARG A 29 1.950 12.436 -7.365 1.00 0.00 H new ATOM 0 HA ARG A 29 4.578 13.404 -7.158 1.00 0.00 H new ATOM 0 HB2 ARG A 29 2.062 13.613 -5.503 1.00 0.00 H new ATOM 0 HB3 ARG A 29 3.563 14.272 -4.884 1.00 0.00 H new ATOM 0 HG2 ARG A 29 2.401 16.060 -5.978 1.00 0.00 H new ATOM 0 HG3 ARG A 29 3.772 15.644 -6.987 1.00 0.00 H new ATOM 0 HD2 ARG A 29 2.236 14.192 -8.375 1.00 0.00 H new ATOM 0 HD3 ARG A 29 0.888 14.771 -7.417 1.00 0.00 H new ATOM 0 HE ARG A 29 2.626 16.667 -8.961 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -0.529 15.357 -8.068 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -1.421 16.567 -8.996 1.00 0.00 H new ATOM 0 HH21 ARG A 29 1.471 18.215 -10.150 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -0.295 18.176 -10.168 1.00 0.00 H new ATOM 478 N ALA A 30 3.934 10.845 -5.315 1.00 0.00 N ATOM 479 CA ALA A 30 4.510 9.888 -4.383 1.00 0.00 C ATOM 480 C ALA A 30 5.694 9.150 -4.995 1.00 0.00 C ATOM 481 O ALA A 30 6.812 9.227 -4.491 1.00 0.00 O ATOM 482 CB ALA A 30 3.461 8.893 -3.941 1.00 0.00 C ATOM 0 H ALA A 30 3.067 10.539 -5.756 1.00 0.00 H new ATOM 0 HA ALA A 30 4.870 10.446 -3.519 1.00 0.00 H new ATOM 0 HB1 ALA A 30 3.905 8.182 -3.244 1.00 0.00 H new ATOM 0 HB2 ALA A 30 2.643 9.420 -3.450 1.00 0.00 H new ATOM 0 HB3 ALA A 30 3.078 8.358 -4.810 1.00 0.00 H new ATOM 488 N SER A 31 5.431 8.421 -6.075 1.00 0.00 N ATOM 489 CA SER A 31 6.468 7.660 -6.763 1.00 0.00 C ATOM 490 C SER A 31 7.661 8.541 -7.101 1.00 0.00 C ATOM 491 O SER A 31 8.789 8.063 -7.190 1.00 0.00 O ATOM 492 CB SER A 31 5.906 7.033 -8.040 1.00 0.00 C ATOM 493 OG SER A 31 6.917 6.350 -8.761 1.00 0.00 O ATOM 0 H SER A 31 4.504 8.341 -6.494 1.00 0.00 H new ATOM 0 HA SER A 31 6.805 6.869 -6.093 1.00 0.00 H new ATOM 0 HB2 SER A 31 5.105 6.339 -7.786 1.00 0.00 H new ATOM 0 HB3 SER A 31 5.469 7.809 -8.668 1.00 0.00 H new ATOM 0 HG SER A 31 6.532 5.957 -9.572 1.00 0.00 H new ATOM 499 N SER A 32 7.405 9.831 -7.287 1.00 0.00 N ATOM 500 CA SER A 32 8.462 10.779 -7.616 1.00 0.00 C ATOM 501 C SER A 32 9.339 11.077 -6.403 1.00 0.00 C ATOM 502 O SER A 32 10.518 11.393 -6.545 1.00 0.00 O ATOM 503 CB SER A 32 7.854 12.071 -8.151 1.00 0.00 C ATOM 504 OG SER A 32 8.858 12.959 -8.608 1.00 0.00 O ATOM 0 H SER A 32 6.475 10.244 -7.216 1.00 0.00 H new ATOM 0 HA SER A 32 9.092 10.329 -8.384 1.00 0.00 H new ATOM 0 HB2 SER A 32 7.168 11.843 -8.967 1.00 0.00 H new ATOM 0 HB3 SER A 32 7.269 12.552 -7.368 1.00 0.00 H new ATOM 0 HG SER A 32 8.441 13.778 -8.947 1.00 0.00 H new ATOM 510 N LYS A 33 8.749 10.997 -5.215 1.00 0.00 N ATOM 511 CA LYS A 33 9.476 11.253 -3.976 1.00 0.00 C ATOM 512 C LYS A 33 10.191 10.002 -3.475 1.00 0.00 C ATOM 513 O LYS A 33 11.365 10.046 -3.114 1.00 0.00 O ATOM 514 CB LYS A 33 8.521 11.772 -2.898 1.00 0.00 C ATOM 515 CG LYS A 33 9.223 12.188 -1.615 1.00 0.00 C ATOM 516 CD LYS A 33 8.234 12.693 -0.577 1.00 0.00 C ATOM 517 CE LYS A 33 8.279 11.852 0.688 1.00 0.00 C ATOM 518 NZ LYS A 33 7.722 12.580 1.861 1.00 0.00 N ATOM 0 H LYS A 33 7.767 10.756 -5.084 1.00 0.00 H new ATOM 0 HA LYS A 33 10.230 12.011 -4.188 1.00 0.00 H new ATOM 0 HB2 LYS A 33 7.968 12.624 -3.293 1.00 0.00 H new ATOM 0 HB3 LYS A 33 7.790 10.997 -2.668 1.00 0.00 H new ATOM 0 HG2 LYS A 33 9.776 11.340 -1.210 1.00 0.00 H new ATOM 0 HG3 LYS A 33 9.952 12.968 -1.834 1.00 0.00 H new ATOM 0 HD2 LYS A 33 8.459 13.731 -0.333 1.00 0.00 H new ATOM 0 HD3 LYS A 33 7.227 12.674 -0.993 1.00 0.00 H new ATOM 0 HE2 LYS A 33 7.716 10.932 0.532 1.00 0.00 H new ATOM 0 HE3 LYS A 33 9.310 11.564 0.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 7.771 11.971 2.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 8.274 13.446 2.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 6.731 12.832 1.674 1.00 0.00 H new ATOM 532 N ASN A 34 9.473 8.889 -3.464 1.00 0.00 N ATOM 533 CA ASN A 34 10.016 7.619 -2.985 1.00 0.00 C ATOM 534 C ASN A 34 11.160 7.123 -3.860 1.00 0.00 C ATOM 535 O ASN A 34 12.135 6.572 -3.356 1.00 0.00 O ATOM 536 CB ASN A 34 8.924 6.545 -2.947 1.00 0.00 C ATOM 537 CG ASN A 34 7.841 6.818 -1.924 1.00 0.00 C ATOM 538 OD1 ASN A 34 7.983 7.680 -1.057 1.00 0.00 O ATOM 539 ND2 ASN A 34 6.753 6.061 -2.017 1.00 0.00 N ATOM 0 H ASN A 34 8.506 8.836 -3.783 1.00 0.00 H new ATOM 0 HA ASN A 34 10.398 7.800 -1.980 1.00 0.00 H new ATOM 0 HB2 ASN A 34 8.468 6.467 -3.934 1.00 0.00 H new ATOM 0 HB3 ASN A 34 9.382 5.580 -2.730 1.00 0.00 H new ATOM 0 HD21 ASN A 34 5.989 6.182 -1.352 1.00 0.00 H new ATOM 0 HD22 ASN A 34 6.682 5.359 -2.754 1.00 0.00 H new ATOM 546 N LEU A 35 11.039 7.317 -5.167 1.00 0.00 N ATOM 547 CA LEU A 35 12.059 6.858 -6.104 1.00 0.00 C ATOM 548 C LEU A 35 13.460 7.310 -5.686 1.00 0.00 C ATOM 549 O LEU A 35 14.331 6.478 -5.432 1.00 0.00 O ATOM 550 CB LEU A 35 11.752 7.362 -7.510 1.00 0.00 C ATOM 551 CG LEU A 35 11.713 6.282 -8.589 1.00 0.00 C ATOM 552 CD1 LEU A 35 10.296 5.752 -8.755 1.00 0.00 C ATOM 553 CD2 LEU A 35 12.248 6.827 -9.904 1.00 0.00 C ATOM 0 H LEU A 35 10.246 7.788 -5.603 1.00 0.00 H new ATOM 0 HA LEU A 35 12.041 5.768 -6.096 1.00 0.00 H new ATOM 0 HB2 LEU A 35 10.790 7.873 -7.494 1.00 0.00 H new ATOM 0 HB3 LEU A 35 12.502 8.103 -7.786 1.00 0.00 H new ATOM 0 HG LEU A 35 12.352 5.454 -8.281 1.00 0.00 H new ATOM 0 HD11 LEU A 35 10.283 4.983 -9.527 1.00 0.00 H new ATOM 0 HD12 LEU A 35 9.954 5.325 -7.812 1.00 0.00 H new ATOM 0 HD13 LEU A 35 9.634 6.568 -9.045 1.00 0.00 H new ATOM 0 HD21 LEU A 35 12.214 6.045 -10.663 1.00 0.00 H new ATOM 0 HD22 LEU A 35 11.636 7.670 -10.224 1.00 0.00 H new ATOM 0 HD23 LEU A 35 13.278 7.157 -9.769 1.00 0.00 H new ATOM 565 N PRO A 36 13.701 8.633 -5.607 1.00 0.00 N ATOM 566 CA PRO A 36 15.004 9.169 -5.226 1.00 0.00 C ATOM 567 C PRO A 36 15.334 8.878 -3.769 1.00 0.00 C ATOM 568 O PRO A 36 16.500 8.821 -3.376 1.00 0.00 O ATOM 569 CB PRO A 36 14.857 10.669 -5.448 1.00 0.00 C ATOM 570 CG PRO A 36 13.397 10.927 -5.321 1.00 0.00 C ATOM 571 CD PRO A 36 12.726 9.703 -5.868 1.00 0.00 C ATOM 0 HA PRO A 36 15.814 8.722 -5.803 1.00 0.00 H new ATOM 0 HB2 PRO A 36 15.425 11.236 -4.711 1.00 0.00 H new ATOM 0 HB3 PRO A 36 15.227 10.962 -6.430 1.00 0.00 H new ATOM 0 HG2 PRO A 36 13.117 11.097 -4.281 1.00 0.00 H new ATOM 0 HG3 PRO A 36 13.106 11.817 -5.879 1.00 0.00 H new ATOM 0 HD2 PRO A 36 11.775 9.510 -5.371 1.00 0.00 H new ATOM 0 HD3 PRO A 36 12.515 9.803 -6.933 1.00 0.00 H new ATOM 579 N LEU A 37 14.285 8.695 -2.979 1.00 0.00 N ATOM 580 CA LEU A 37 14.418 8.411 -1.556 1.00 0.00 C ATOM 581 C LEU A 37 14.887 6.983 -1.317 1.00 0.00 C ATOM 582 O LEU A 37 15.446 6.663 -0.266 1.00 0.00 O ATOM 583 CB LEU A 37 13.075 8.645 -0.871 1.00 0.00 C ATOM 584 CG LEU A 37 12.943 9.986 -0.158 1.00 0.00 C ATOM 585 CD1 LEU A 37 13.207 11.131 -1.125 1.00 0.00 C ATOM 586 CD2 LEU A 37 11.562 10.112 0.463 1.00 0.00 C ATOM 0 H LEU A 37 13.320 8.739 -3.305 1.00 0.00 H new ATOM 0 HA LEU A 37 15.170 9.079 -1.136 1.00 0.00 H new ATOM 0 HB2 LEU A 37 12.285 8.568 -1.618 1.00 0.00 H new ATOM 0 HB3 LEU A 37 12.909 7.847 -0.147 1.00 0.00 H new ATOM 0 HG LEU A 37 13.686 10.037 0.638 1.00 0.00 H new ATOM 0 HD11 LEU A 37 13.109 12.081 -0.600 1.00 0.00 H new ATOM 0 HD12 LEU A 37 14.216 11.042 -1.528 1.00 0.00 H new ATOM 0 HD13 LEU A 37 12.486 11.091 -1.941 1.00 0.00 H new ATOM 0 HD21 LEU A 37 11.477 11.073 0.970 1.00 0.00 H new ATOM 0 HD22 LEU A 37 10.804 10.046 -0.318 1.00 0.00 H new ATOM 0 HD23 LEU A 37 11.412 9.308 1.183 1.00 0.00 H new ATOM 598 N GLY A 38 14.653 6.132 -2.303 1.00 0.00 N ATOM 599 CA GLY A 38 15.043 4.738 -2.198 1.00 0.00 C ATOM 600 C GLY A 38 13.891 3.872 -1.737 1.00 0.00 C ATOM 601 O GLY A 38 14.049 2.674 -1.504 1.00 0.00 O ATOM 0 H GLY A 38 14.197 6.382 -3.181 1.00 0.00 H new ATOM 0 HA2 GLY A 38 15.400 4.385 -3.166 1.00 0.00 H new ATOM 0 HA3 GLY A 38 15.873 4.643 -1.498 1.00 0.00 H new ATOM 605 N ILE A 39 12.726 4.496 -1.609 1.00 0.00 N ATOM 606 CA ILE A 39 11.518 3.810 -1.175 1.00 0.00 C ATOM 607 C ILE A 39 10.774 3.217 -2.367 1.00 0.00 C ATOM 608 O ILE A 39 10.846 3.740 -3.480 1.00 0.00 O ATOM 609 CB ILE A 39 10.579 4.780 -0.437 1.00 0.00 C ATOM 610 CG1 ILE A 39 11.319 5.488 0.694 1.00 0.00 C ATOM 611 CG2 ILE A 39 9.354 4.053 0.093 1.00 0.00 C ATOM 612 CD1 ILE A 39 10.694 6.813 1.063 1.00 0.00 C ATOM 0 H ILE A 39 12.594 5.489 -1.803 1.00 0.00 H new ATOM 0 HA ILE A 39 11.819 3.009 -0.500 1.00 0.00 H new ATOM 0 HB ILE A 39 10.241 5.533 -1.149 1.00 0.00 H new ATOM 0 HG12 ILE A 39 11.335 4.842 1.572 1.00 0.00 H new ATOM 0 HG13 ILE A 39 12.356 5.650 0.398 1.00 0.00 H new ATOM 0 HG21 ILE A 39 8.706 4.761 0.610 1.00 0.00 H new ATOM 0 HG22 ILE A 39 8.810 3.604 -0.738 1.00 0.00 H new ATOM 0 HG23 ILE A 39 9.666 3.272 0.787 1.00 0.00 H new ATOM 0 HD11 ILE A 39 11.263 7.271 1.873 1.00 0.00 H new ATOM 0 HD12 ILE A 39 10.702 7.473 0.196 1.00 0.00 H new ATOM 0 HD13 ILE A 39 9.666 6.653 1.387 1.00 0.00 H new ATOM 624 N THR A 40 10.057 2.126 -2.125 1.00 0.00 N ATOM 625 CA THR A 40 9.289 1.466 -3.169 1.00 0.00 C ATOM 626 C THR A 40 7.991 0.925 -2.604 1.00 0.00 C ATOM 627 O THR A 40 7.871 0.743 -1.398 1.00 0.00 O ATOM 628 CB THR A 40 10.077 0.312 -3.809 1.00 0.00 C ATOM 629 OG1 THR A 40 11.014 -0.224 -2.867 1.00 0.00 O ATOM 630 CG2 THR A 40 10.806 0.786 -5.053 1.00 0.00 C ATOM 0 H THR A 40 9.993 1.680 -1.210 1.00 0.00 H new ATOM 0 HA THR A 40 9.079 2.211 -3.937 1.00 0.00 H new ATOM 0 HB THR A 40 9.373 -0.469 -4.097 1.00 0.00 H new ATOM 0 HG1 THR A 40 10.777 -1.153 -2.663 1.00 0.00 H new ATOM 0 HG21 THR A 40 11.358 -0.046 -5.491 1.00 0.00 H new ATOM 0 HG22 THR A 40 10.083 1.163 -5.777 1.00 0.00 H new ATOM 0 HG23 THR A 40 11.501 1.582 -4.786 1.00 0.00 H new ATOM 638 N GLY A 41 7.008 0.687 -3.461 1.00 0.00 N ATOM 639 CA GLY A 41 5.756 0.165 -2.966 1.00 0.00 C ATOM 640 C GLY A 41 4.596 0.315 -3.918 1.00 0.00 C ATOM 641 O GLY A 41 4.773 0.554 -5.113 1.00 0.00 O ATOM 0 H GLY A 41 7.054 0.843 -4.468 1.00 0.00 H new ATOM 0 HA2 GLY A 41 5.884 -0.892 -2.733 1.00 0.00 H new ATOM 0 HA3 GLY A 41 5.510 0.670 -2.032 1.00 0.00 H new ATOM 645 N ILE A 42 3.402 0.170 -3.361 1.00 0.00 N ATOM 646 CA ILE A 42 2.166 0.263 -4.125 1.00 0.00 C ATOM 647 C ILE A 42 1.025 0.758 -3.244 1.00 0.00 C ATOM 648 O ILE A 42 1.024 0.540 -2.033 1.00 0.00 O ATOM 649 CB ILE A 42 1.786 -1.108 -4.727 1.00 0.00 C ATOM 650 CG1 ILE A 42 0.342 -1.113 -5.227 1.00 0.00 C ATOM 651 CG2 ILE A 42 1.967 -2.184 -3.680 1.00 0.00 C ATOM 652 CD1 ILE A 42 0.092 -2.084 -6.358 1.00 0.00 C ATOM 0 H ILE A 42 3.263 -0.015 -2.368 1.00 0.00 H new ATOM 0 HA ILE A 42 2.331 0.974 -4.934 1.00 0.00 H new ATOM 0 HB ILE A 42 2.439 -1.303 -5.578 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -0.320 -1.359 -4.396 1.00 0.00 H new ATOM 0 HG13 ILE A 42 0.078 -0.108 -5.558 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.699 -3.152 -4.103 1.00 0.00 H new ATOM 0 HG22 ILE A 42 3.007 -2.205 -3.356 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.325 -1.972 -2.825 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -0.954 -2.031 -6.659 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.727 -1.826 -7.206 1.00 0.00 H new ATOM 0 HD13 ILE A 42 0.323 -3.096 -6.026 1.00 0.00 H new ATOM 664 N LEU A 43 0.060 1.423 -3.858 1.00 0.00 N ATOM 665 CA LEU A 43 -1.091 1.939 -3.138 1.00 0.00 C ATOM 666 C LEU A 43 -2.373 1.281 -3.623 1.00 0.00 C ATOM 667 O LEU A 43 -2.405 0.670 -4.691 1.00 0.00 O ATOM 668 CB LEU A 43 -1.195 3.450 -3.304 1.00 0.00 C ATOM 669 CG LEU A 43 -0.851 4.263 -2.065 1.00 0.00 C ATOM 670 CD1 LEU A 43 -1.068 5.734 -2.346 1.00 0.00 C ATOM 671 CD2 LEU A 43 -1.686 3.816 -0.874 1.00 0.00 C ATOM 0 H LEU A 43 0.052 1.619 -4.859 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.955 1.706 -2.082 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.535 3.757 -4.115 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.212 3.697 -3.610 1.00 0.00 H new ATOM 0 HG LEU A 43 0.198 4.099 -1.817 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.821 6.315 -1.457 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.428 6.045 -3.172 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.111 5.904 -2.612 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.422 4.412 -0.000 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -2.744 3.952 -1.100 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.491 2.764 -0.668 1.00 0.00 H new ATOM 683 N LEU A 44 -3.424 1.397 -2.823 1.00 0.00 N ATOM 684 CA LEU A 44 -4.708 0.810 -3.161 1.00 0.00 C ATOM 685 C LEU A 44 -5.862 1.695 -2.724 1.00 0.00 C ATOM 686 O LEU A 44 -5.731 2.503 -1.809 1.00 0.00 O ATOM 687 CB LEU A 44 -4.843 -0.566 -2.517 1.00 0.00 C ATOM 688 CG LEU A 44 -4.178 -1.692 -3.294 1.00 0.00 C ATOM 689 CD1 LEU A 44 -2.725 -1.861 -2.882 1.00 0.00 C ATOM 690 CD2 LEU A 44 -4.944 -2.984 -3.110 1.00 0.00 C ATOM 0 H LEU A 44 -3.410 1.895 -1.933 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.749 0.712 -4.246 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -4.413 -0.529 -1.516 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -5.902 -0.797 -2.401 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.193 -1.429 -4.352 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.277 -2.673 -3.454 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.182 -0.936 -3.077 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.673 -2.095 -1.819 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.455 -3.780 -3.672 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.965 -3.247 -2.052 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -5.964 -2.857 -3.473 1.00 0.00 H new ATOM 702 N PHE A 45 -6.989 1.536 -3.399 1.00 0.00 N ATOM 703 CA PHE A 45 -8.190 2.293 -3.085 1.00 0.00 C ATOM 704 C PHE A 45 -9.419 1.457 -3.426 1.00 0.00 C ATOM 705 O PHE A 45 -9.499 0.883 -4.508 1.00 0.00 O ATOM 706 CB PHE A 45 -8.198 3.620 -3.849 1.00 0.00 C ATOM 707 CG PHE A 45 -9.287 4.566 -3.427 1.00 0.00 C ATOM 708 CD1 PHE A 45 -9.321 5.071 -2.137 1.00 0.00 C ATOM 709 CD2 PHE A 45 -10.269 4.958 -4.322 1.00 0.00 C ATOM 710 CE1 PHE A 45 -10.316 5.947 -1.746 1.00 0.00 C ATOM 711 CE2 PHE A 45 -11.266 5.835 -3.938 1.00 0.00 C ATOM 712 CZ PHE A 45 -11.289 6.330 -2.648 1.00 0.00 C ATOM 0 H PHE A 45 -7.097 0.883 -4.175 1.00 0.00 H new ATOM 0 HA PHE A 45 -8.207 2.523 -2.020 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -7.234 4.110 -3.714 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -8.304 3.413 -4.914 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -8.561 4.777 -1.429 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -10.255 4.574 -5.331 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -10.333 6.331 -0.737 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -12.026 6.133 -4.645 1.00 0.00 H new ATOM 0 HZ PHE A 45 -12.067 7.015 -2.346 1.00 0.00 H new ATOM 722 N ASN A 46 -10.378 1.393 -2.511 1.00 0.00 N ATOM 723 CA ASN A 46 -11.577 0.601 -2.738 1.00 0.00 C ATOM 724 C ASN A 46 -12.806 1.487 -2.668 1.00 0.00 C ATOM 725 O ASN A 46 -13.936 1.002 -2.602 1.00 0.00 O ATOM 726 CB ASN A 46 -11.676 -0.526 -1.707 1.00 0.00 C ATOM 727 CG ASN A 46 -12.165 -0.037 -0.357 1.00 0.00 C ATOM 728 OD1 ASN A 46 -11.238 0.403 0.484 1.00 0.00 O flip ATOM 729 ND2 ASN A 46 -13.363 -0.052 -0.076 1.00 0.00 N flip ATOM 0 H ASN A 46 -10.349 1.876 -1.613 1.00 0.00 H new ATOM 0 HA ASN A 46 -11.519 0.156 -3.731 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -12.353 -1.295 -2.078 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -10.698 -0.993 -1.588 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -14.042 -0.399 -0.754 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -13.677 0.283 0.835 1.00 0.00 H new ATOM 736 N GLY A 47 -12.571 2.793 -2.680 1.00 0.00 N ATOM 737 CA GLY A 47 -13.662 3.735 -2.615 1.00 0.00 C ATOM 738 C GLY A 47 -13.901 4.242 -1.212 1.00 0.00 C ATOM 739 O GLY A 47 -14.783 5.071 -0.984 1.00 0.00 O ATOM 0 H GLY A 47 -11.643 3.213 -2.734 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -13.450 4.578 -3.272 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -14.570 3.261 -2.987 1.00 0.00 H new ATOM 743 N LEU A 48 -13.114 3.742 -0.266 1.00 0.00 N ATOM 744 CA LEU A 48 -13.252 4.146 1.122 1.00 0.00 C ATOM 745 C LEU A 48 -11.910 4.128 1.845 1.00 0.00 C ATOM 746 O LEU A 48 -11.632 5.006 2.656 1.00 0.00 O ATOM 747 CB LEU A 48 -14.244 3.220 1.837 1.00 0.00 C ATOM 748 CG LEU A 48 -14.898 3.786 3.106 1.00 0.00 C ATOM 749 CD1 LEU A 48 -13.887 3.893 4.241 1.00 0.00 C ATOM 750 CD2 LEU A 48 -15.533 5.141 2.825 1.00 0.00 C ATOM 0 H LEU A 48 -12.377 3.058 -0.437 1.00 0.00 H new ATOM 0 HA LEU A 48 -13.628 5.169 1.140 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -15.033 2.953 1.134 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -13.725 2.298 2.100 1.00 0.00 H new ATOM 0 HG LEU A 48 -15.682 3.096 3.416 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -14.376 4.297 5.127 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -13.487 2.905 4.466 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -13.074 4.555 3.943 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -15.991 5.524 3.737 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -14.768 5.837 2.483 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -16.296 5.032 2.054 1.00 0.00 H new ATOM 762 N GLN A 49 -11.073 3.138 1.545 1.00 0.00 N ATOM 763 CA GLN A 49 -9.780 3.017 2.216 1.00 0.00 C ATOM 764 C GLN A 49 -8.590 3.119 1.262 1.00 0.00 C ATOM 765 O GLN A 49 -8.734 3.028 0.044 1.00 0.00 O ATOM 766 CB GLN A 49 -9.707 1.684 2.960 1.00 0.00 C ATOM 767 CG GLN A 49 -10.712 1.557 4.088 1.00 0.00 C ATOM 768 CD GLN A 49 -10.907 0.123 4.536 1.00 0.00 C ATOM 769 OE1 GLN A 49 -11.776 -0.584 4.027 1.00 0.00 O ATOM 770 NE2 GLN A 49 -10.098 -0.312 5.493 1.00 0.00 N ATOM 0 H GLN A 49 -11.263 2.416 0.850 1.00 0.00 H new ATOM 0 HA GLN A 49 -9.712 3.856 2.908 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -9.868 0.873 2.250 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -8.703 1.559 3.365 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -10.379 2.156 4.935 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -11.669 1.966 3.765 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -9.392 0.310 5.886 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -10.182 -1.269 5.836 1.00 0.00 H new ATOM 779 N PHE A 50 -7.410 3.303 1.858 1.00 0.00 N ATOM 780 CA PHE A 50 -6.151 3.394 1.120 1.00 0.00 C ATOM 781 C PHE A 50 -5.133 2.432 1.709 1.00 0.00 C ATOM 782 O PHE A 50 -4.638 2.645 2.815 1.00 0.00 O ATOM 783 CB PHE A 50 -5.563 4.801 1.192 1.00 0.00 C ATOM 784 CG PHE A 50 -6.010 5.729 0.104 1.00 0.00 C ATOM 785 CD1 PHE A 50 -5.629 5.520 -1.215 1.00 0.00 C ATOM 786 CD2 PHE A 50 -6.795 6.828 0.403 1.00 0.00 C ATOM 787 CE1 PHE A 50 -6.026 6.385 -2.203 1.00 0.00 C ATOM 788 CE2 PHE A 50 -7.194 7.697 -0.583 1.00 0.00 C ATOM 789 CZ PHE A 50 -6.807 7.474 -1.888 1.00 0.00 C ATOM 0 H PHE A 50 -7.302 3.393 2.868 1.00 0.00 H new ATOM 0 HA PHE A 50 -6.366 3.144 0.081 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -5.826 5.240 2.154 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -4.476 4.727 1.162 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -5.014 4.668 -1.465 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -7.098 7.005 1.424 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -5.726 6.212 -3.226 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -7.808 8.551 -0.338 1.00 0.00 H new ATOM 0 HZ PHE A 50 -7.118 8.156 -2.665 1.00 0.00 H new ATOM 799 N PHE A 51 -4.817 1.382 0.976 1.00 0.00 N ATOM 800 CA PHE A 51 -3.843 0.410 1.446 1.00 0.00 C ATOM 801 C PHE A 51 -2.493 0.698 0.809 1.00 0.00 C ATOM 802 O PHE A 51 -2.430 0.985 -0.378 1.00 0.00 O ATOM 803 CB PHE A 51 -4.300 -0.999 1.099 1.00 0.00 C ATOM 804 CG PHE A 51 -3.288 -2.040 1.451 1.00 0.00 C ATOM 805 CD1 PHE A 51 -3.159 -2.480 2.752 1.00 0.00 C ATOM 806 CD2 PHE A 51 -2.455 -2.563 0.483 1.00 0.00 C ATOM 807 CE1 PHE A 51 -2.216 -3.427 3.077 1.00 0.00 C ATOM 808 CE2 PHE A 51 -1.509 -3.509 0.802 1.00 0.00 C ATOM 809 CZ PHE A 51 -1.387 -3.944 2.099 1.00 0.00 C ATOM 0 H PHE A 51 -5.216 1.179 0.059 1.00 0.00 H new ATOM 0 HA PHE A 51 -3.751 0.486 2.529 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -5.232 -1.213 1.623 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -4.515 -1.054 0.032 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -3.803 -2.078 3.520 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -2.547 -2.225 -0.539 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -2.123 -3.767 4.098 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -0.863 -3.909 0.034 1.00 0.00 H new ATOM 0 HZ PHE A 51 -0.646 -4.687 2.354 1.00 0.00 H new ATOM 819 N GLN A 52 -1.407 0.610 1.571 1.00 0.00 N ATOM 820 CA GLN A 52 -0.109 0.916 0.997 1.00 0.00 C ATOM 821 C GLN A 52 0.988 -0.028 1.450 1.00 0.00 C ATOM 822 O GLN A 52 1.246 -0.191 2.642 1.00 0.00 O ATOM 823 CB GLN A 52 0.305 2.345 1.330 1.00 0.00 C ATOM 824 CG GLN A 52 1.450 2.841 0.463 1.00 0.00 C ATOM 825 CD GLN A 52 1.879 4.252 0.801 1.00 0.00 C ATOM 826 OE1 GLN A 52 1.338 5.219 0.081 1.00 0.00 O flip ATOM 827 NE2 GLN A 52 2.695 4.471 1.692 1.00 0.00 N flip ATOM 0 H GLN A 52 -1.400 0.339 2.554 1.00 0.00 H new ATOM 0 HA GLN A 52 -0.228 0.793 -0.080 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -0.553 3.006 1.205 1.00 0.00 H new ATOM 0 HB3 GLN A 52 0.599 2.399 2.378 1.00 0.00 H new ATOM 0 HG2 GLN A 52 2.302 2.171 0.578 1.00 0.00 H new ATOM 0 HG3 GLN A 52 1.150 2.799 -0.584 1.00 0.00 H new ATOM 0 HE21 GLN A 52 3.089 3.695 2.225 1.00 0.00 H new ATOM 0 HE22 GLN A 52 2.979 5.428 1.900 1.00 0.00 H new ATOM 836 N VAL A 53 1.628 -0.642 0.470 1.00 0.00 N ATOM 837 CA VAL A 53 2.755 -1.523 0.721 1.00 0.00 C ATOM 838 C VAL A 53 4.028 -0.723 0.526 1.00 0.00 C ATOM 839 O VAL A 53 4.444 -0.482 -0.601 1.00 0.00 O ATOM 840 CB VAL A 53 2.783 -2.735 -0.231 1.00 0.00 C ATOM 841 CG1 VAL A 53 4.170 -3.362 -0.271 1.00 0.00 C ATOM 842 CG2 VAL A 53 1.749 -3.759 0.181 1.00 0.00 C ATOM 0 H VAL A 53 1.383 -0.545 -0.515 1.00 0.00 H new ATOM 0 HA VAL A 53 2.665 -1.908 1.737 1.00 0.00 H new ATOM 0 HB VAL A 53 2.540 -2.384 -1.234 1.00 0.00 H new ATOM 0 HG11 VAL A 53 4.164 -4.215 -0.949 1.00 0.00 H new ATOM 0 HG12 VAL A 53 4.893 -2.625 -0.621 1.00 0.00 H new ATOM 0 HG13 VAL A 53 4.447 -3.696 0.729 1.00 0.00 H new ATOM 0 HG21 VAL A 53 1.784 -4.607 -0.503 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.959 -4.101 1.194 1.00 0.00 H new ATOM 0 HG23 VAL A 53 0.757 -3.308 0.149 1.00 0.00 H new ATOM 852 N LEU A 54 4.634 -0.294 1.613 1.00 0.00 N ATOM 853 CA LEU A 54 5.846 0.500 1.523 1.00 0.00 C ATOM 854 C LEU A 54 7.083 -0.338 1.808 1.00 0.00 C ATOM 855 O LEU A 54 7.064 -1.230 2.653 1.00 0.00 O ATOM 856 CB LEU A 54 5.780 1.669 2.503 1.00 0.00 C ATOM 857 CG LEU A 54 6.162 3.032 1.929 1.00 0.00 C ATOM 858 CD1 LEU A 54 5.198 3.445 0.823 1.00 0.00 C ATOM 859 CD2 LEU A 54 6.181 4.066 3.041 1.00 0.00 C ATOM 0 H LEU A 54 4.312 -0.479 2.563 1.00 0.00 H new ATOM 0 HA LEU A 54 5.920 0.880 0.504 1.00 0.00 H new ATOM 0 HB2 LEU A 54 4.766 1.732 2.898 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.437 1.452 3.345 1.00 0.00 H new ATOM 0 HG LEU A 54 7.158 2.964 1.491 1.00 0.00 H new ATOM 0 HD11 LEU A 54 5.491 4.419 0.430 1.00 0.00 H new ATOM 0 HD12 LEU A 54 5.226 2.707 0.021 1.00 0.00 H new ATOM 0 HD13 LEU A 54 4.187 3.505 1.225 1.00 0.00 H new ATOM 0 HD21 LEU A 54 6.454 5.038 2.630 1.00 0.00 H new ATOM 0 HD22 LEU A 54 5.193 4.129 3.496 1.00 0.00 H new ATOM 0 HD23 LEU A 54 6.910 3.774 3.797 1.00 0.00 H new ATOM 871 N GLU A 55 8.154 -0.038 1.089 1.00 0.00 N ATOM 872 CA GLU A 55 9.418 -0.742 1.258 1.00 0.00 C ATOM 873 C GLU A 55 10.567 0.255 1.339 1.00 0.00 C ATOM 874 O GLU A 55 10.447 1.388 0.875 1.00 0.00 O ATOM 875 CB GLU A 55 9.658 -1.727 0.110 1.00 0.00 C ATOM 876 CG GLU A 55 8.407 -2.069 -0.680 1.00 0.00 C ATOM 877 CD GLU A 55 8.402 -3.501 -1.179 1.00 0.00 C ATOM 878 OE1 GLU A 55 8.957 -3.751 -2.270 1.00 0.00 O ATOM 879 OE2 GLU A 55 7.843 -4.371 -0.479 1.00 0.00 O ATOM 0 H GLU A 55 8.173 0.693 0.378 1.00 0.00 H new ATOM 0 HA GLU A 55 9.369 -1.308 2.188 1.00 0.00 H new ATOM 0 HB2 GLU A 55 10.400 -1.305 -0.568 1.00 0.00 H new ATOM 0 HB3 GLU A 55 10.082 -2.646 0.515 1.00 0.00 H new ATOM 0 HG2 GLU A 55 7.530 -1.904 -0.053 1.00 0.00 H new ATOM 0 HG3 GLU A 55 8.323 -1.392 -1.530 1.00 0.00 H new ATOM 886 N GLY A 56 11.678 -0.171 1.921 1.00 0.00 N ATOM 887 CA GLY A 56 12.823 0.706 2.065 1.00 0.00 C ATOM 888 C GLY A 56 13.353 0.716 3.483 1.00 0.00 C ATOM 889 O GLY A 56 12.856 -0.015 4.340 1.00 0.00 O ATOM 0 H GLY A 56 11.808 -1.110 2.297 1.00 0.00 H new ATOM 0 HA2 GLY A 56 13.613 0.387 1.385 1.00 0.00 H new ATOM 0 HA3 GLY A 56 12.543 1.719 1.775 1.00 0.00 H new ATOM 893 N THR A 57 14.359 1.544 3.739 1.00 0.00 N ATOM 894 CA THR A 57 14.944 1.634 5.069 1.00 0.00 C ATOM 895 C THR A 57 13.896 2.033 6.099 1.00 0.00 C ATOM 896 O THR A 57 13.044 2.882 5.840 1.00 0.00 O ATOM 897 CB THR A 57 16.110 2.634 5.112 1.00 0.00 C ATOM 898 OG1 THR A 57 15.809 3.780 4.306 1.00 0.00 O ATOM 899 CG2 THR A 57 17.388 1.974 4.620 1.00 0.00 C ATOM 0 H THR A 57 14.784 2.160 3.046 1.00 0.00 H new ATOM 0 HA THR A 57 15.330 0.644 5.312 1.00 0.00 H new ATOM 0 HB THR A 57 16.255 2.956 6.143 1.00 0.00 H new ATOM 0 HG1 THR A 57 16.558 4.411 4.342 1.00 0.00 H new ATOM 0 HG21 THR A 57 18.206 2.693 4.656 1.00 0.00 H new ATOM 0 HG22 THR A 57 17.626 1.122 5.257 1.00 0.00 H new ATOM 0 HG23 THR A 57 17.250 1.633 3.594 1.00 0.00 H new ATOM 907 N GLU A 58 13.974 1.407 7.268 1.00 0.00 N ATOM 908 CA GLU A 58 13.034 1.663 8.354 1.00 0.00 C ATOM 909 C GLU A 58 12.942 3.152 8.675 1.00 0.00 C ATOM 910 O GLU A 58 11.914 3.628 9.156 1.00 0.00 O ATOM 911 CB GLU A 58 13.456 0.892 9.605 1.00 0.00 C ATOM 912 CG GLU A 58 12.314 0.637 10.573 1.00 0.00 C ATOM 913 CD GLU A 58 12.792 0.143 11.923 1.00 0.00 C ATOM 914 OE1 GLU A 58 12.926 -1.087 12.092 1.00 0.00 O ATOM 915 OE2 GLU A 58 13.032 0.986 12.813 1.00 0.00 O ATOM 0 H GLU A 58 14.686 0.711 7.489 1.00 0.00 H new ATOM 0 HA GLU A 58 12.050 1.324 8.029 1.00 0.00 H new ATOM 0 HB2 GLU A 58 13.888 -0.063 9.305 1.00 0.00 H new ATOM 0 HB3 GLU A 58 14.240 1.449 10.118 1.00 0.00 H new ATOM 0 HG2 GLU A 58 11.745 1.557 10.708 1.00 0.00 H new ATOM 0 HG3 GLU A 58 11.634 -0.098 10.141 1.00 0.00 H new ATOM 922 N GLU A 59 14.022 3.882 8.417 1.00 0.00 N ATOM 923 CA GLU A 59 14.053 5.316 8.679 1.00 0.00 C ATOM 924 C GLU A 59 13.178 6.074 7.693 1.00 0.00 C ATOM 925 O GLU A 59 12.556 7.080 8.036 1.00 0.00 O ATOM 926 CB GLU A 59 15.475 5.838 8.620 1.00 0.00 C ATOM 927 CG GLU A 59 16.193 5.530 7.317 1.00 0.00 C ATOM 928 CD GLU A 59 17.604 6.082 7.285 1.00 0.00 C ATOM 929 OE1 GLU A 59 18.475 5.526 7.987 1.00 0.00 O ATOM 930 OE2 GLU A 59 17.841 7.068 6.554 1.00 0.00 O ATOM 0 H GLU A 59 14.886 3.505 8.027 1.00 0.00 H new ATOM 0 HA GLU A 59 13.658 5.479 9.682 1.00 0.00 H new ATOM 0 HB2 GLU A 59 15.461 6.918 8.769 1.00 0.00 H new ATOM 0 HB3 GLU A 59 16.043 5.410 9.446 1.00 0.00 H new ATOM 0 HG2 GLU A 59 16.226 4.450 7.171 1.00 0.00 H new ATOM 0 HG3 GLU A 59 15.625 5.947 6.486 1.00 0.00 H new ATOM 937 N ALA A 60 13.137 5.576 6.471 1.00 0.00 N ATOM 938 CA ALA A 60 12.340 6.184 5.417 1.00 0.00 C ATOM 939 C ALA A 60 10.869 5.831 5.586 1.00 0.00 C ATOM 940 O ALA A 60 9.993 6.669 5.382 1.00 0.00 O ATOM 941 CB ALA A 60 12.839 5.737 4.051 1.00 0.00 C ATOM 0 H ALA A 60 13.651 4.744 6.180 1.00 0.00 H new ATOM 0 HA ALA A 60 12.444 7.267 5.488 1.00 0.00 H new ATOM 0 HB1 ALA A 60 12.233 6.200 3.273 1.00 0.00 H new ATOM 0 HB2 ALA A 60 13.879 6.037 3.928 1.00 0.00 H new ATOM 0 HB3 ALA A 60 12.763 4.652 3.973 1.00 0.00 H new ATOM 947 N LEU A 61 10.607 4.582 5.961 1.00 0.00 N ATOM 948 CA LEU A 61 9.242 4.114 6.161 1.00 0.00 C ATOM 949 C LEU A 61 8.561 4.869 7.292 1.00 0.00 C ATOM 950 O LEU A 61 7.418 5.292 7.161 1.00 0.00 O ATOM 951 CB LEU A 61 9.226 2.617 6.461 1.00 0.00 C ATOM 952 CG LEU A 61 10.070 1.754 5.520 1.00 0.00 C ATOM 953 CD1 LEU A 61 9.772 0.283 5.742 1.00 0.00 C ATOM 954 CD2 LEU A 61 9.819 2.124 4.067 1.00 0.00 C ATOM 0 H LEU A 61 11.324 3.877 6.132 1.00 0.00 H new ATOM 0 HA LEU A 61 8.692 4.301 5.239 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.577 2.464 7.481 1.00 0.00 H new ATOM 0 HB3 LEU A 61 8.195 2.266 6.423 1.00 0.00 H new ATOM 0 HG LEU A 61 11.120 1.941 5.744 1.00 0.00 H new ATOM 0 HD11 LEU A 61 10.380 -0.318 5.065 1.00 0.00 H new ATOM 0 HD12 LEU A 61 10.005 0.016 6.773 1.00 0.00 H new ATOM 0 HD13 LEU A 61 8.717 0.092 5.547 1.00 0.00 H new ATOM 0 HD21 LEU A 61 10.431 1.495 3.420 1.00 0.00 H new ATOM 0 HD22 LEU A 61 8.766 1.972 3.829 1.00 0.00 H new ATOM 0 HD23 LEU A 61 10.079 3.170 3.908 1.00 0.00 H new ATOM 966 N GLU A 62 9.269 5.036 8.402 1.00 0.00 N ATOM 967 CA GLU A 62 8.717 5.735 9.556 1.00 0.00 C ATOM 968 C GLU A 62 8.306 7.159 9.201 1.00 0.00 C ATOM 969 O GLU A 62 7.144 7.536 9.340 1.00 0.00 O ATOM 970 CB GLU A 62 9.749 5.777 10.680 1.00 0.00 C ATOM 971 CG GLU A 62 9.174 6.206 12.018 1.00 0.00 C ATOM 972 CD GLU A 62 10.229 6.310 13.103 1.00 0.00 C ATOM 973 OE1 GLU A 62 10.918 7.350 13.162 1.00 0.00 O ATOM 974 OE2 GLU A 62 10.366 5.353 13.892 1.00 0.00 O ATOM 0 H GLU A 62 10.223 4.698 8.528 1.00 0.00 H new ATOM 0 HA GLU A 62 7.831 5.190 9.881 1.00 0.00 H new ATOM 0 HB2 GLU A 62 10.198 4.789 10.787 1.00 0.00 H new ATOM 0 HB3 GLU A 62 10.549 6.462 10.401 1.00 0.00 H new ATOM 0 HG2 GLU A 62 8.680 7.171 11.904 1.00 0.00 H new ATOM 0 HG3 GLU A 62 8.411 5.492 12.327 1.00 0.00 H new ATOM 981 N SER A 63 9.277 7.938 8.744 1.00 0.00 N ATOM 982 CA SER A 63 9.047 9.330 8.367 1.00 0.00 C ATOM 983 C SER A 63 7.933 9.462 7.335 1.00 0.00 C ATOM 984 O SER A 63 7.030 10.286 7.481 1.00 0.00 O ATOM 985 CB SER A 63 10.328 9.935 7.800 1.00 0.00 C ATOM 986 OG SER A 63 11.303 10.115 8.813 1.00 0.00 O ATOM 0 H SER A 63 10.241 7.627 8.624 1.00 0.00 H new ATOM 0 HA SER A 63 8.744 9.865 9.267 1.00 0.00 H new ATOM 0 HB2 SER A 63 10.726 9.285 7.020 1.00 0.00 H new ATOM 0 HB3 SER A 63 10.104 10.894 7.333 1.00 0.00 H new ATOM 0 HG SER A 63 12.114 10.502 8.422 1.00 0.00 H new ATOM 992 N LEU A 64 8.007 8.640 6.300 1.00 0.00 N ATOM 993 CA LEU A 64 7.028 8.655 5.222 1.00 0.00 C ATOM 994 C LEU A 64 5.655 8.346 5.779 1.00 0.00 C ATOM 995 O LEU A 64 4.739 9.158 5.709 1.00 0.00 O ATOM 996 CB LEU A 64 7.437 7.615 4.182 1.00 0.00 C ATOM 997 CG LEU A 64 6.848 7.779 2.783 1.00 0.00 C ATOM 998 CD1 LEU A 64 5.367 7.504 2.797 1.00 0.00 C ATOM 999 CD2 LEU A 64 7.101 9.169 2.238 1.00 0.00 C ATOM 0 H LEU A 64 8.745 7.945 6.183 1.00 0.00 H new ATOM 0 HA LEU A 64 6.992 9.638 4.753 1.00 0.00 H new ATOM 0 HB2 LEU A 64 8.524 7.627 4.098 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.157 6.630 4.556 1.00 0.00 H new ATOM 0 HG LEU A 64 7.343 7.057 2.133 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.965 7.626 1.791 1.00 0.00 H new ATOM 0 HD12 LEU A 64 5.190 6.484 3.138 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.874 8.203 3.472 1.00 0.00 H new ATOM 0 HD21 LEU A 64 6.669 9.253 1.241 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.642 9.907 2.896 1.00 0.00 H new ATOM 0 HD23 LEU A 64 8.175 9.349 2.185 1.00 0.00 H new ATOM 1011 N PHE A 65 5.531 7.149 6.309 1.00 0.00 N ATOM 1012 CA PHE A 65 4.300 6.686 6.923 1.00 0.00 C ATOM 1013 C PHE A 65 3.747 7.729 7.894 1.00 0.00 C ATOM 1014 O PHE A 65 2.532 7.856 8.060 1.00 0.00 O ATOM 1015 CB PHE A 65 4.601 5.369 7.634 1.00 0.00 C ATOM 1016 CG PHE A 65 3.520 4.840 8.510 1.00 0.00 C ATOM 1017 CD1 PHE A 65 2.226 4.781 8.062 1.00 0.00 C ATOM 1018 CD2 PHE A 65 3.813 4.382 9.782 1.00 0.00 C ATOM 1019 CE1 PHE A 65 1.224 4.277 8.865 1.00 0.00 C ATOM 1020 CE2 PHE A 65 2.823 3.878 10.593 1.00 0.00 C ATOM 1021 CZ PHE A 65 1.523 3.827 10.136 1.00 0.00 C ATOM 0 H PHE A 65 6.285 6.463 6.328 1.00 0.00 H new ATOM 0 HA PHE A 65 3.534 6.531 6.163 1.00 0.00 H new ATOM 0 HB2 PHE A 65 4.832 4.616 6.880 1.00 0.00 H new ATOM 0 HB3 PHE A 65 5.499 5.502 8.238 1.00 0.00 H new ATOM 0 HD1 PHE A 65 1.988 5.133 7.069 1.00 0.00 H new ATOM 0 HD2 PHE A 65 4.830 4.421 10.142 1.00 0.00 H new ATOM 0 HE1 PHE A 65 0.208 4.234 8.501 1.00 0.00 H new ATOM 0 HE2 PHE A 65 3.063 3.523 11.584 1.00 0.00 H new ATOM 0 HZ PHE A 65 0.741 3.436 10.770 1.00 0.00 H new ATOM 1031 N SER A 66 4.644 8.478 8.529 1.00 0.00 N ATOM 1032 CA SER A 66 4.231 9.516 9.464 1.00 0.00 C ATOM 1033 C SER A 66 3.667 10.708 8.704 1.00 0.00 C ATOM 1034 O SER A 66 2.801 11.425 9.206 1.00 0.00 O ATOM 1035 CB SER A 66 5.401 9.953 10.348 1.00 0.00 C ATOM 1036 OG SER A 66 5.819 8.901 11.199 1.00 0.00 O ATOM 0 H SER A 66 5.653 8.386 8.414 1.00 0.00 H new ATOM 0 HA SER A 66 3.454 9.107 10.110 1.00 0.00 H new ATOM 0 HB2 SER A 66 6.235 10.271 9.722 1.00 0.00 H new ATOM 0 HB3 SER A 66 5.106 10.814 10.948 1.00 0.00 H new ATOM 0 HG SER A 66 6.554 8.410 10.775 1.00 0.00 H new ATOM 1042 N GLU A 67 4.166 10.915 7.487 1.00 0.00 N ATOM 1043 CA GLU A 67 3.691 11.996 6.646 1.00 0.00 C ATOM 1044 C GLU A 67 2.294 11.659 6.156 1.00 0.00 C ATOM 1045 O GLU A 67 1.464 12.535 5.910 1.00 0.00 O ATOM 1046 CB GLU A 67 4.631 12.169 5.458 1.00 0.00 C ATOM 1047 CG GLU A 67 6.029 12.613 5.847 1.00 0.00 C ATOM 1048 CD GLU A 67 6.253 14.096 5.631 1.00 0.00 C ATOM 1049 OE1 GLU A 67 6.556 14.490 4.484 1.00 0.00 O ATOM 1050 OE2 GLU A 67 6.127 14.865 6.607 1.00 0.00 O ATOM 0 H GLU A 67 4.900 10.344 7.067 1.00 0.00 H new ATOM 0 HA GLU A 67 3.665 12.926 7.214 1.00 0.00 H new ATOM 0 HB2 GLU A 67 4.696 11.225 4.917 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.205 12.901 4.772 1.00 0.00 H new ATOM 0 HG2 GLU A 67 6.204 12.372 6.896 1.00 0.00 H new ATOM 0 HG3 GLU A 67 6.759 12.051 5.265 1.00 0.00 H new ATOM 1057 N ILE A 68 2.063 10.363 6.024 1.00 0.00 N ATOM 1058 CA ILE A 68 0.797 9.822 5.574 1.00 0.00 C ATOM 1059 C ILE A 68 -0.323 10.128 6.554 1.00 0.00 C ATOM 1060 O ILE A 68 -1.347 10.680 6.171 1.00 0.00 O ATOM 1061 CB ILE A 68 0.945 8.305 5.365 1.00 0.00 C ATOM 1062 CG1 ILE A 68 1.503 8.038 3.972 1.00 0.00 C ATOM 1063 CG2 ILE A 68 -0.370 7.558 5.568 1.00 0.00 C ATOM 1064 CD1 ILE A 68 2.565 9.015 3.542 1.00 0.00 C ATOM 0 H ILE A 68 2.762 9.649 6.230 1.00 0.00 H new ATOM 0 HA ILE A 68 0.529 10.296 4.630 1.00 0.00 H new ATOM 0 HB ILE A 68 1.637 7.929 6.119 1.00 0.00 H new ATOM 0 HG12 ILE A 68 1.918 7.030 3.945 1.00 0.00 H new ATOM 0 HG13 ILE A 68 0.685 8.066 3.252 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -0.211 6.491 5.409 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -0.730 7.724 6.584 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -1.110 7.924 4.857 1.00 0.00 H new ATOM 0 HD11 ILE A 68 2.912 8.758 2.541 1.00 0.00 H new ATOM 0 HD12 ILE A 68 2.151 10.023 3.535 1.00 0.00 H new ATOM 0 HD13 ILE A 68 3.403 8.972 4.238 1.00 0.00 H new ATOM 1076 N GLN A 69 -0.128 9.788 7.820 1.00 0.00 N ATOM 1077 CA GLN A 69 -1.160 10.030 8.819 1.00 0.00 C ATOM 1078 C GLN A 69 -1.437 11.523 8.974 1.00 0.00 C ATOM 1079 O GLN A 69 -2.400 11.921 9.630 1.00 0.00 O ATOM 1080 CB GLN A 69 -0.764 9.411 10.154 1.00 0.00 C ATOM 1081 CG GLN A 69 -0.301 7.969 10.030 1.00 0.00 C ATOM 1082 CD GLN A 69 0.291 7.440 11.322 1.00 0.00 C ATOM 1083 OE1 GLN A 69 -0.149 7.799 12.414 1.00 0.00 O ATOM 1084 NE2 GLN A 69 1.308 6.595 11.201 1.00 0.00 N ATOM 0 H GLN A 69 0.721 9.350 8.177 1.00 0.00 H new ATOM 0 HA GLN A 69 -2.080 9.556 8.478 1.00 0.00 H new ATOM 0 HB2 GLN A 69 0.033 10.005 10.600 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -1.614 9.456 10.835 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -1.144 7.343 9.737 1.00 0.00 H new ATOM 0 HG3 GLN A 69 0.442 7.896 9.236 1.00 0.00 H new ATOM 0 HE21 GLN A 69 1.639 6.325 10.275 1.00 0.00 H new ATOM 0 HE22 GLN A 69 1.758 6.216 12.034 1.00 0.00 H new ATOM 1093 N SER A 70 -0.588 12.345 8.363 1.00 0.00 N ATOM 1094 CA SER A 70 -0.746 13.794 8.417 1.00 0.00 C ATOM 1095 C SER A 70 -1.331 14.320 7.107 1.00 0.00 C ATOM 1096 O SER A 70 -1.329 15.525 6.853 1.00 0.00 O ATOM 1097 CB SER A 70 0.601 14.465 8.688 1.00 0.00 C ATOM 1098 OG SER A 70 1.141 14.043 9.928 1.00 0.00 O ATOM 0 H SER A 70 0.218 12.030 7.823 1.00 0.00 H new ATOM 0 HA SER A 70 -1.433 14.032 9.229 1.00 0.00 H new ATOM 0 HB2 SER A 70 1.298 14.226 7.884 1.00 0.00 H new ATOM 0 HB3 SER A 70 0.477 15.548 8.691 1.00 0.00 H new ATOM 0 HG SER A 70 1.659 13.222 9.797 1.00 0.00 H new ATOM 1104 N ASP A 71 -1.832 13.405 6.281 1.00 0.00 N ATOM 1105 CA ASP A 71 -2.414 13.762 4.997 1.00 0.00 C ATOM 1106 C ASP A 71 -3.857 14.239 5.158 1.00 0.00 C ATOM 1107 O ASP A 71 -4.587 13.744 6.018 1.00 0.00 O ATOM 1108 CB ASP A 71 -2.364 12.562 4.056 1.00 0.00 C ATOM 1109 CG ASP A 71 -1.264 12.679 3.022 1.00 0.00 C ATOM 1110 OD1 ASP A 71 -1.358 13.571 2.152 1.00 0.00 O ATOM 1111 OD2 ASP A 71 -0.308 11.878 3.080 1.00 0.00 O ATOM 0 H ASP A 71 -1.845 12.405 6.483 1.00 0.00 H new ATOM 0 HA ASP A 71 -1.832 14.581 4.574 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -2.214 11.653 4.639 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -3.324 12.461 3.550 1.00 0.00 H new ATOM 1116 N PRO A 72 -4.288 15.209 4.329 1.00 0.00 N ATOM 1117 CA PRO A 72 -5.639 15.756 4.384 1.00 0.00 C ATOM 1118 C PRO A 72 -6.629 15.032 3.473 1.00 0.00 C ATOM 1119 O PRO A 72 -7.613 15.626 3.029 1.00 0.00 O ATOM 1120 CB PRO A 72 -5.420 17.183 3.895 1.00 0.00 C ATOM 1121 CG PRO A 72 -4.323 17.067 2.886 1.00 0.00 C ATOM 1122 CD PRO A 72 -3.486 15.871 3.282 1.00 0.00 C ATOM 0 HA PRO A 72 -6.078 15.665 5.378 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -6.326 17.594 3.451 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -5.138 17.845 4.714 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -4.732 16.937 1.884 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -3.717 17.973 2.868 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -3.310 15.208 2.435 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -2.509 16.174 3.659 1.00 0.00 H new ATOM 1130 N ARG A 73 -6.378 13.754 3.192 1.00 0.00 N ATOM 1131 CA ARG A 73 -7.277 12.984 2.335 1.00 0.00 C ATOM 1132 C ARG A 73 -7.908 11.831 3.108 1.00 0.00 C ATOM 1133 O ARG A 73 -9.089 11.876 3.443 1.00 0.00 O ATOM 1134 CB ARG A 73 -6.548 12.464 1.102 1.00 0.00 C ATOM 1135 CG ARG A 73 -7.491 12.053 -0.019 1.00 0.00 C ATOM 1136 CD ARG A 73 -6.792 12.060 -1.368 1.00 0.00 C ATOM 1137 NE ARG A 73 -6.165 13.349 -1.647 1.00 0.00 N ATOM 1138 CZ ARG A 73 -6.279 13.998 -2.804 1.00 0.00 C ATOM 1139 NH1 ARG A 73 -7.032 13.506 -3.777 1.00 0.00 N ATOM 1140 NH2 ARG A 73 -5.649 15.151 -2.982 1.00 0.00 N ATOM 0 H ARG A 73 -5.571 13.236 3.540 1.00 0.00 H new ATOM 0 HA ARG A 73 -8.072 13.651 2.003 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -5.871 13.236 0.735 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -5.934 11.609 1.384 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -7.884 11.057 0.183 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -8.343 12.733 -0.046 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -6.036 11.276 -1.389 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -7.513 11.829 -2.152 1.00 0.00 H new ATOM 0 HE ARG A 73 -5.605 13.779 -0.910 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -7.528 12.625 -3.642 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -7.115 14.008 -4.661 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -5.077 15.541 -2.233 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -5.736 15.648 -3.868 1.00 0.00 H new ATOM 1154 N HIS A 74 -7.121 10.793 3.388 1.00 0.00 N ATOM 1155 CA HIS A 74 -7.624 9.653 4.141 1.00 0.00 C ATOM 1156 C HIS A 74 -7.844 10.061 5.597 1.00 0.00 C ATOM 1157 O HIS A 74 -8.069 11.239 5.879 1.00 0.00 O ATOM 1158 CB HIS A 74 -6.657 8.477 4.047 1.00 0.00 C ATOM 1159 CG HIS A 74 -5.262 8.801 4.473 1.00 0.00 C ATOM 1160 ND1 HIS A 74 -4.164 8.585 3.673 1.00 0.00 N ATOM 1161 CD2 HIS A 74 -4.787 9.309 5.632 1.00 0.00 C ATOM 1162 CE1 HIS A 74 -3.074 8.942 4.322 1.00 0.00 C ATOM 1163 NE2 HIS A 74 -3.423 9.385 5.516 1.00 0.00 N ATOM 0 H HIS A 74 -6.143 10.721 3.107 1.00 0.00 H new ATOM 0 HA HIS A 74 -8.576 9.335 3.715 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -7.033 7.660 4.663 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -6.637 8.117 3.018 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -5.373 9.601 6.491 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -2.065 8.882 3.941 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -2.784 9.727 6.233 1.00 0.00 H new ATOM 1172 N ARG A 75 -7.782 9.110 6.530 1.00 0.00 N ATOM 1173 CA ARG A 75 -7.989 9.456 7.934 1.00 0.00 C ATOM 1174 C ARG A 75 -7.502 8.385 8.914 1.00 0.00 C ATOM 1175 O ARG A 75 -6.626 8.640 9.741 1.00 0.00 O ATOM 1176 CB ARG A 75 -9.476 9.717 8.176 1.00 0.00 C ATOM 1177 CG ARG A 75 -10.381 8.636 7.617 1.00 0.00 C ATOM 1178 CD ARG A 75 -11.779 9.158 7.338 1.00 0.00 C ATOM 1179 NE ARG A 75 -12.805 8.297 7.920 1.00 0.00 N ATOM 1180 CZ ARG A 75 -13.973 8.743 8.372 1.00 0.00 C ATOM 1181 NH1 ARG A 75 -14.264 10.035 8.309 1.00 0.00 N ATOM 1182 NH2 ARG A 75 -14.851 7.895 8.889 1.00 0.00 N ATOM 0 H ARG A 75 -7.596 8.124 6.347 1.00 0.00 H new ATOM 0 HA ARG A 75 -7.392 10.348 8.124 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -9.651 9.807 9.248 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -9.746 10.673 7.728 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -9.950 8.242 6.697 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -10.437 7.808 8.323 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -11.878 10.166 7.742 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -11.932 9.229 6.261 1.00 0.00 H new ATOM 0 HE ARG A 75 -12.615 7.297 7.983 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -13.591 10.691 7.913 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -15.161 10.373 8.657 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -14.630 6.900 8.940 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -15.747 8.237 9.236 1.00 0.00 H new ATOM 1196 N ASP A 76 -8.075 7.196 8.815 1.00 0.00 N ATOM 1197 CA ASP A 76 -7.765 6.104 9.735 1.00 0.00 C ATOM 1198 C ASP A 76 -6.579 5.249 9.311 1.00 0.00 C ATOM 1199 O ASP A 76 -6.674 4.023 9.269 1.00 0.00 O ATOM 1200 CB ASP A 76 -8.995 5.226 9.890 1.00 0.00 C ATOM 1201 CG ASP A 76 -8.882 4.246 11.042 1.00 0.00 C ATOM 1202 OD1 ASP A 76 -9.071 4.670 12.201 1.00 0.00 O ATOM 1203 OD2 ASP A 76 -8.607 3.055 10.784 1.00 0.00 O ATOM 0 H ASP A 76 -8.764 6.958 8.101 1.00 0.00 H new ATOM 0 HA ASP A 76 -7.480 6.564 10.681 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -9.869 5.859 10.043 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -9.159 4.673 8.965 1.00 0.00 H new ATOM 1208 N VAL A 77 -5.467 5.885 8.996 1.00 0.00 N ATOM 1209 CA VAL A 77 -4.268 5.136 8.634 1.00 0.00 C ATOM 1210 C VAL A 77 -3.722 4.410 9.854 1.00 0.00 C ATOM 1211 O VAL A 77 -3.595 4.986 10.934 1.00 0.00 O ATOM 1212 CB VAL A 77 -3.162 6.026 8.022 1.00 0.00 C ATOM 1213 CG1 VAL A 77 -3.371 7.469 8.392 1.00 0.00 C ATOM 1214 CG2 VAL A 77 -1.787 5.585 8.472 1.00 0.00 C ATOM 0 H VAL A 77 -5.363 6.900 8.982 1.00 0.00 H new ATOM 0 HA VAL A 77 -4.564 4.420 7.868 1.00 0.00 H new ATOM 0 HB VAL A 77 -3.225 5.920 6.939 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -2.581 8.076 7.950 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.338 7.804 8.018 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -3.346 7.574 9.477 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.033 6.232 8.024 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.721 5.650 9.558 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.615 4.555 8.159 1.00 0.00 H new ATOM 1224 N VAL A 78 -3.407 3.141 9.665 1.00 0.00 N ATOM 1225 CA VAL A 78 -2.881 2.310 10.737 1.00 0.00 C ATOM 1226 C VAL A 78 -1.775 1.404 10.216 1.00 0.00 C ATOM 1227 O VAL A 78 -1.916 0.790 9.160 1.00 0.00 O ATOM 1228 CB VAL A 78 -3.982 1.444 11.367 1.00 0.00 C ATOM 1229 CG1 VAL A 78 -3.508 0.840 12.680 1.00 0.00 C ATOM 1230 CG2 VAL A 78 -5.262 2.247 11.567 1.00 0.00 C ATOM 0 H VAL A 78 -3.507 2.659 8.772 1.00 0.00 H new ATOM 0 HA VAL A 78 -2.481 2.979 11.499 1.00 0.00 H new ATOM 0 HB VAL A 78 -4.204 0.628 10.679 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.304 0.231 13.108 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -2.632 0.217 12.499 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -3.248 1.638 13.375 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.025 1.610 12.014 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -5.062 3.092 12.226 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -5.615 2.614 10.604 1.00 0.00 H new ATOM 1240 N GLU A 79 -0.672 1.324 10.951 1.00 0.00 N ATOM 1241 CA GLU A 79 0.450 0.487 10.542 1.00 0.00 C ATOM 1242 C GLU A 79 0.047 -0.981 10.524 1.00 0.00 C ATOM 1243 O GLU A 79 -0.185 -1.590 11.567 1.00 0.00 O ATOM 1244 CB GLU A 79 1.637 0.686 11.480 1.00 0.00 C ATOM 1245 CG GLU A 79 2.982 0.440 10.814 1.00 0.00 C ATOM 1246 CD GLU A 79 4.145 0.626 11.768 1.00 0.00 C ATOM 1247 OE1 GLU A 79 4.614 1.774 11.916 1.00 0.00 O ATOM 1248 OE2 GLU A 79 4.588 -0.377 12.367 1.00 0.00 O ATOM 0 H GLU A 79 -0.531 1.825 11.828 1.00 0.00 H new ATOM 0 HA GLU A 79 0.742 0.783 9.535 1.00 0.00 H new ATOM 0 HB2 GLU A 79 1.615 1.703 11.871 1.00 0.00 H new ATOM 0 HB3 GLU A 79 1.534 0.014 12.332 1.00 0.00 H new ATOM 0 HG2 GLU A 79 3.005 -0.573 10.412 1.00 0.00 H new ATOM 0 HG3 GLU A 79 3.096 1.121 9.970 1.00 0.00 H new ATOM 1255 N LEU A 80 -0.034 -1.537 9.324 1.00 0.00 N ATOM 1256 CA LEU A 80 -0.400 -2.932 9.142 1.00 0.00 C ATOM 1257 C LEU A 80 0.823 -3.824 9.216 1.00 0.00 C ATOM 1258 O LEU A 80 0.771 -4.925 9.767 1.00 0.00 O ATOM 1259 CB LEU A 80 -1.082 -3.113 7.786 1.00 0.00 C ATOM 1260 CG LEU A 80 -2.608 -3.051 7.797 1.00 0.00 C ATOM 1261 CD1 LEU A 80 -3.091 -1.806 8.521 1.00 0.00 C ATOM 1262 CD2 LEU A 80 -3.136 -3.070 6.372 1.00 0.00 C ATOM 0 H LEU A 80 0.151 -1.037 8.455 1.00 0.00 H new ATOM 0 HA LEU A 80 -1.086 -3.215 9.940 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.711 -2.344 7.108 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -0.779 -4.075 7.373 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.988 -3.923 8.330 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -4.181 -1.782 8.517 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.732 -1.821 9.550 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.707 -0.920 8.016 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.225 -3.026 6.387 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.745 -2.210 5.828 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -2.817 -3.988 5.878 1.00 0.00 H new ATOM 1274 N MET A 81 1.925 -3.341 8.661 1.00 0.00 N ATOM 1275 CA MET A 81 3.155 -4.106 8.651 1.00 0.00 C ATOM 1276 C MET A 81 4.382 -3.225 8.767 1.00 0.00 C ATOM 1277 O MET A 81 4.309 -2.000 8.674 1.00 0.00 O ATOM 1278 CB MET A 81 3.233 -4.924 7.369 1.00 0.00 C ATOM 1279 CG MET A 81 3.849 -6.287 7.560 1.00 0.00 C ATOM 1280 SD MET A 81 4.275 -7.076 6.000 1.00 0.00 S ATOM 1281 CE MET A 81 5.423 -5.887 5.316 1.00 0.00 C ATOM 0 H MET A 81 1.989 -2.426 8.214 1.00 0.00 H new ATOM 0 HA MET A 81 3.141 -4.763 9.521 1.00 0.00 H new ATOM 0 HB2 MET A 81 2.229 -5.042 6.961 1.00 0.00 H new ATOM 0 HB3 MET A 81 3.814 -4.372 6.630 1.00 0.00 H new ATOM 0 HG2 MET A 81 4.745 -6.194 8.173 1.00 0.00 H new ATOM 0 HG3 MET A 81 3.153 -6.923 8.107 1.00 0.00 H new ATOM 0 HE1 MET A 81 5.235 -5.772 4.248 1.00 0.00 H new ATOM 0 HE2 MET A 81 5.291 -4.926 5.813 1.00 0.00 H new ATOM 0 HE3 MET A 81 6.444 -6.237 5.469 1.00 0.00 H new ATOM 1291 N ARG A 82 5.502 -3.893 8.985 1.00 0.00 N ATOM 1292 CA ARG A 82 6.798 -3.259 9.112 1.00 0.00 C ATOM 1293 C ARG A 82 7.814 -4.314 9.495 1.00 0.00 C ATOM 1294 O ARG A 82 7.996 -4.637 10.669 1.00 0.00 O ATOM 1295 CB ARG A 82 6.775 -2.143 10.138 1.00 0.00 C ATOM 1296 CG ARG A 82 7.815 -1.068 9.886 1.00 0.00 C ATOM 1297 CD ARG A 82 7.972 -0.166 11.099 1.00 0.00 C ATOM 1298 NE ARG A 82 7.221 1.078 10.983 1.00 0.00 N ATOM 1299 CZ ARG A 82 7.773 2.285 11.058 1.00 0.00 C ATOM 1300 NH1 ARG A 82 9.085 2.414 11.203 1.00 0.00 N ATOM 1301 NH2 ARG A 82 7.010 3.367 10.986 1.00 0.00 N ATOM 0 H ARG A 82 5.534 -4.908 9.080 1.00 0.00 H new ATOM 0 HA ARG A 82 7.069 -2.807 8.158 1.00 0.00 H new ATOM 0 HB2 ARG A 82 5.786 -1.686 10.144 1.00 0.00 H new ATOM 0 HB3 ARG A 82 6.936 -2.568 11.129 1.00 0.00 H new ATOM 0 HG2 ARG A 82 8.772 -1.532 9.647 1.00 0.00 H new ATOM 0 HG3 ARG A 82 7.525 -0.472 9.021 1.00 0.00 H new ATOM 0 HD2 ARG A 82 7.642 -0.702 11.989 1.00 0.00 H new ATOM 0 HD3 ARG A 82 9.028 0.065 11.239 1.00 0.00 H new ATOM 0 HE ARG A 82 6.213 1.019 10.836 1.00 0.00 H new ATOM 0 HH11 ARG A 82 9.676 1.585 11.258 1.00 0.00 H new ATOM 0 HH12 ARG A 82 9.503 3.343 11.260 1.00 0.00 H new ATOM 0 HH21 ARG A 82 6.001 3.273 10.873 1.00 0.00 H new ATOM 0 HH22 ARG A 82 7.432 4.294 11.043 1.00 0.00 H new ATOM 1315 N ASP A 83 8.469 -4.841 8.485 1.00 0.00 N ATOM 1316 CA ASP A 83 9.445 -5.914 8.670 1.00 0.00 C ATOM 1317 C ASP A 83 10.717 -5.676 7.874 1.00 0.00 C ATOM 1318 O ASP A 83 10.683 -5.144 6.772 1.00 0.00 O ATOM 1319 CB ASP A 83 8.831 -7.243 8.238 1.00 0.00 C ATOM 1320 CG ASP A 83 9.683 -8.433 8.631 1.00 0.00 C ATOM 1321 OD1 ASP A 83 9.517 -8.933 9.763 1.00 0.00 O ATOM 1322 OD2 ASP A 83 10.516 -8.866 7.806 1.00 0.00 O ATOM 0 H ASP A 83 8.348 -4.547 7.516 1.00 0.00 H new ATOM 0 HA ASP A 83 9.708 -5.936 9.727 1.00 0.00 H new ATOM 0 HB2 ASP A 83 7.842 -7.345 8.686 1.00 0.00 H new ATOM 0 HB3 ASP A 83 8.693 -7.241 7.157 1.00 0.00 H new ATOM 1327 N TYR A 84 11.839 -6.108 8.432 1.00 0.00 N ATOM 1328 CA TYR A 84 13.125 -5.950 7.772 1.00 0.00 C ATOM 1329 C TYR A 84 13.150 -6.690 6.438 1.00 0.00 C ATOM 1330 O TYR A 84 12.261 -7.489 6.144 1.00 0.00 O ATOM 1331 CB TYR A 84 14.238 -6.460 8.679 1.00 0.00 C ATOM 1332 CG TYR A 84 14.477 -5.551 9.853 1.00 0.00 C ATOM 1333 CD1 TYR A 84 14.706 -4.202 9.653 1.00 0.00 C ATOM 1334 CD2 TYR A 84 14.462 -6.032 11.153 1.00 0.00 C ATOM 1335 CE1 TYR A 84 14.917 -3.351 10.708 1.00 0.00 C ATOM 1336 CE2 TYR A 84 14.674 -5.186 12.225 1.00 0.00 C ATOM 1337 CZ TYR A 84 14.903 -3.844 11.998 1.00 0.00 C ATOM 1338 OH TYR A 84 15.115 -2.995 13.060 1.00 0.00 O ATOM 0 H TYR A 84 11.884 -6.570 9.340 1.00 0.00 H new ATOM 0 HA TYR A 84 13.282 -4.890 7.572 1.00 0.00 H new ATOM 0 HB2 TYR A 84 13.982 -7.456 9.040 1.00 0.00 H new ATOM 0 HB3 TYR A 84 15.158 -6.556 8.103 1.00 0.00 H new ATOM 0 HD1 TYR A 84 14.719 -3.811 8.646 1.00 0.00 H new ATOM 0 HD2 TYR A 84 14.282 -7.082 11.330 1.00 0.00 H new ATOM 0 HE1 TYR A 84 15.093 -2.300 10.531 1.00 0.00 H new ATOM 0 HE2 TYR A 84 14.661 -5.572 13.233 1.00 0.00 H new ATOM 0 HH TYR A 84 14.512 -2.226 12.989 1.00 0.00 H new ATOM 1348 N SER A 85 14.176 -6.422 5.639 1.00 0.00 N ATOM 1349 CA SER A 85 14.319 -7.055 4.335 1.00 0.00 C ATOM 1350 C SER A 85 15.693 -6.777 3.747 1.00 0.00 C ATOM 1351 O SER A 85 16.499 -6.057 4.337 1.00 0.00 O ATOM 1352 CB SER A 85 13.226 -6.566 3.383 1.00 0.00 C ATOM 1353 OG SER A 85 13.119 -5.153 3.410 1.00 0.00 O ATOM 0 H SER A 85 14.923 -5.768 5.873 1.00 0.00 H new ATOM 0 HA SER A 85 14.214 -8.132 4.466 1.00 0.00 H new ATOM 0 HB2 SER A 85 13.448 -6.897 2.369 1.00 0.00 H new ATOM 0 HB3 SER A 85 12.271 -7.011 3.662 1.00 0.00 H new ATOM 0 HG SER A 85 12.415 -4.866 2.792 1.00 0.00 H new ATOM 1359 N ALA A 86 15.952 -7.351 2.580 1.00 0.00 N ATOM 1360 CA ALA A 86 17.237 -7.184 1.919 1.00 0.00 C ATOM 1361 C ALA A 86 17.083 -6.968 0.422 1.00 0.00 C ATOM 1362 O ALA A 86 18.065 -6.981 -0.319 1.00 0.00 O ATOM 1363 CB ALA A 86 18.087 -8.407 2.177 1.00 0.00 C ATOM 0 H ALA A 86 15.289 -7.936 2.072 1.00 0.00 H new ATOM 0 HA ALA A 86 17.717 -6.295 2.328 1.00 0.00 H new ATOM 0 HB1 ALA A 86 19.052 -8.290 1.685 1.00 0.00 H new ATOM 0 HB2 ALA A 86 18.239 -8.525 3.250 1.00 0.00 H new ATOM 0 HB3 ALA A 86 17.584 -9.290 1.783 1.00 0.00 H new ATOM 1369 N TYR A 87 15.850 -6.774 -0.018 1.00 0.00 N ATOM 1370 CA TYR A 87 15.576 -6.574 -1.433 1.00 0.00 C ATOM 1371 C TYR A 87 14.303 -5.761 -1.651 1.00 0.00 C ATOM 1372 O TYR A 87 13.419 -5.726 -0.795 1.00 0.00 O ATOM 1373 CB TYR A 87 15.453 -7.931 -2.127 1.00 0.00 C ATOM 1374 CG TYR A 87 14.519 -8.885 -1.416 1.00 0.00 C ATOM 1375 CD1 TYR A 87 14.882 -9.475 -0.209 1.00 0.00 C ATOM 1376 CD2 TYR A 87 13.278 -9.198 -1.952 1.00 0.00 C ATOM 1377 CE1 TYR A 87 14.031 -10.349 0.441 1.00 0.00 C ATOM 1378 CE2 TYR A 87 12.421 -10.069 -1.307 1.00 0.00 C ATOM 1379 CZ TYR A 87 12.802 -10.641 -0.112 1.00 0.00 C ATOM 1380 OH TYR A 87 11.951 -11.510 0.531 1.00 0.00 O ATOM 0 H TYR A 87 15.025 -6.751 0.582 1.00 0.00 H new ATOM 0 HA TYR A 87 16.405 -6.012 -1.862 1.00 0.00 H new ATOM 0 HB2 TYR A 87 15.099 -7.779 -3.146 1.00 0.00 H new ATOM 0 HB3 TYR A 87 16.441 -8.386 -2.198 1.00 0.00 H new ATOM 0 HD1 TYR A 87 15.843 -9.246 0.227 1.00 0.00 H new ATOM 0 HD2 TYR A 87 12.977 -8.753 -2.889 1.00 0.00 H new ATOM 0 HE1 TYR A 87 14.327 -10.801 1.376 1.00 0.00 H new ATOM 0 HE2 TYR A 87 11.458 -10.300 -1.737 1.00 0.00 H new ATOM 0 HH TYR A 87 11.127 -11.607 0.010 1.00 0.00 H new ATOM 1390 N ARG A 88 14.224 -5.110 -2.808 1.00 0.00 N ATOM 1391 CA ARG A 88 13.065 -4.297 -3.164 1.00 0.00 C ATOM 1392 C ARG A 88 12.231 -4.989 -4.238 1.00 0.00 C ATOM 1393 O ARG A 88 12.712 -5.240 -5.344 1.00 0.00 O ATOM 1394 CB ARG A 88 13.522 -2.926 -3.666 1.00 0.00 C ATOM 1395 CG ARG A 88 13.611 -1.875 -2.577 1.00 0.00 C ATOM 1396 CD ARG A 88 14.057 -0.532 -3.133 1.00 0.00 C ATOM 1397 NE ARG A 88 15.445 -0.561 -3.586 1.00 0.00 N ATOM 1398 CZ ARG A 88 16.052 0.469 -4.169 1.00 0.00 C ATOM 1399 NH1 ARG A 88 15.396 1.603 -4.373 1.00 0.00 N ATOM 1400 NH2 ARG A 88 17.319 0.364 -4.549 1.00 0.00 N ATOM 0 H ARG A 88 14.954 -5.130 -3.520 1.00 0.00 H new ATOM 0 HA ARG A 88 12.449 -4.168 -2.274 1.00 0.00 H new ATOM 0 HB2 ARG A 88 14.499 -3.029 -4.139 1.00 0.00 H new ATOM 0 HB3 ARG A 88 12.830 -2.582 -4.435 1.00 0.00 H new ATOM 0 HG2 ARG A 88 12.639 -1.766 -2.095 1.00 0.00 H new ATOM 0 HG3 ARG A 88 14.312 -2.203 -1.810 1.00 0.00 H new ATOM 0 HD2 ARG A 88 13.410 -0.251 -3.964 1.00 0.00 H new ATOM 0 HD3 ARG A 88 13.942 0.234 -2.366 1.00 0.00 H new ATOM 0 HE ARG A 88 15.979 -1.419 -3.448 1.00 0.00 H new ATOM 0 HH11 ARG A 88 14.422 1.688 -4.082 1.00 0.00 H new ATOM 0 HH12 ARG A 88 15.865 2.390 -4.820 1.00 0.00 H new ATOM 0 HH21 ARG A 88 17.827 -0.507 -4.394 1.00 0.00 H new ATOM 0 HH22 ARG A 88 17.784 1.154 -4.996 1.00 0.00 H new ATOM 1414 N ARG A 89 10.977 -5.291 -3.907 1.00 0.00 N ATOM 1415 CA ARG A 89 10.079 -5.953 -4.848 1.00 0.00 C ATOM 1416 C ARG A 89 9.730 -5.034 -6.015 1.00 0.00 C ATOM 1417 O ARG A 89 9.955 -5.381 -7.174 1.00 0.00 O ATOM 1418 CB ARG A 89 8.797 -6.409 -4.145 1.00 0.00 C ATOM 1419 CG ARG A 89 8.917 -7.767 -3.473 1.00 0.00 C ATOM 1420 CD ARG A 89 9.767 -7.693 -2.216 1.00 0.00 C ATOM 1421 NE ARG A 89 9.052 -7.065 -1.110 1.00 0.00 N ATOM 1422 CZ ARG A 89 9.100 -7.508 0.144 1.00 0.00 C ATOM 1423 NH1 ARG A 89 9.830 -8.573 0.447 1.00 0.00 N ATOM 1424 NH2 ARG A 89 8.417 -6.885 1.095 1.00 0.00 N ATOM 0 H ARG A 89 10.562 -5.088 -2.998 1.00 0.00 H new ATOM 0 HA ARG A 89 10.599 -6.828 -5.239 1.00 0.00 H new ATOM 0 HB2 ARG A 89 8.520 -5.667 -3.396 1.00 0.00 H new ATOM 0 HB3 ARG A 89 7.987 -6.445 -4.873 1.00 0.00 H new ATOM 0 HG2 ARG A 89 7.924 -8.138 -3.220 1.00 0.00 H new ATOM 0 HG3 ARG A 89 9.357 -8.481 -4.169 1.00 0.00 H new ATOM 0 HD2 ARG A 89 10.074 -8.698 -1.926 1.00 0.00 H new ATOM 0 HD3 ARG A 89 10.677 -7.130 -2.426 1.00 0.00 H new ATOM 0 HE ARG A 89 8.484 -6.241 -1.309 1.00 0.00 H new ATOM 0 HH11 ARG A 89 10.356 -9.055 -0.282 1.00 0.00 H new ATOM 0 HH12 ARG A 89 9.865 -8.910 1.409 1.00 0.00 H new ATOM 0 HH21 ARG A 89 7.854 -6.066 0.865 1.00 0.00 H new ATOM 0 HH22 ARG A 89 8.454 -7.225 2.056 1.00 0.00 H new ATOM 1438 N PHE A 90 9.188 -3.860 -5.707 1.00 0.00 N ATOM 1439 CA PHE A 90 8.803 -2.905 -6.743 1.00 0.00 C ATOM 1440 C PHE A 90 9.970 -1.994 -7.114 1.00 0.00 C ATOM 1441 O PHE A 90 9.799 -0.787 -7.270 1.00 0.00 O ATOM 1442 CB PHE A 90 7.613 -2.063 -6.277 1.00 0.00 C ATOM 1443 CG PHE A 90 6.515 -2.871 -5.644 1.00 0.00 C ATOM 1444 CD1 PHE A 90 5.584 -3.534 -6.425 1.00 0.00 C ATOM 1445 CD2 PHE A 90 6.417 -2.964 -4.265 1.00 0.00 C ATOM 1446 CE1 PHE A 90 4.572 -4.276 -5.843 1.00 0.00 C ATOM 1447 CE2 PHE A 90 5.408 -3.706 -3.677 1.00 0.00 C ATOM 1448 CZ PHE A 90 4.486 -4.362 -4.468 1.00 0.00 C ATOM 0 H PHE A 90 9.006 -3.547 -4.753 1.00 0.00 H new ATOM 0 HA PHE A 90 8.515 -3.472 -7.628 1.00 0.00 H new ATOM 0 HB2 PHE A 90 7.963 -1.319 -5.562 1.00 0.00 H new ATOM 0 HB3 PHE A 90 7.207 -1.519 -7.130 1.00 0.00 H new ATOM 0 HD1 PHE A 90 5.649 -3.471 -7.501 1.00 0.00 H new ATOM 0 HD2 PHE A 90 7.136 -2.452 -3.643 1.00 0.00 H new ATOM 0 HE1 PHE A 90 3.851 -4.787 -6.463 1.00 0.00 H new ATOM 0 HE2 PHE A 90 5.342 -3.772 -2.601 1.00 0.00 H new ATOM 0 HZ PHE A 90 3.698 -4.942 -4.011 1.00 0.00 H new ATOM 1458 N HIS A 91 11.152 -2.585 -7.265 1.00 0.00 N ATOM 1459 CA HIS A 91 12.350 -1.828 -7.617 1.00 0.00 C ATOM 1460 C HIS A 91 12.161 -1.069 -8.931 1.00 0.00 C ATOM 1461 O HIS A 91 12.972 -0.211 -9.282 1.00 0.00 O ATOM 1462 CB HIS A 91 13.559 -2.765 -7.721 1.00 0.00 C ATOM 1463 CG HIS A 91 13.438 -3.801 -8.799 1.00 0.00 C ATOM 1464 ND1 HIS A 91 12.358 -4.460 -9.284 1.00 0.00 N flip ATOM 1465 CD2 HIS A 91 14.522 -4.277 -9.506 1.00 0.00 C flip ATOM 1466 CE1 HIS A 91 12.806 -5.312 -10.263 1.00 0.00 C flip ATOM 1467 NE2 HIS A 91 14.114 -5.181 -10.379 1.00 0.00 N flip ATOM 0 H HIS A 91 11.306 -3.587 -7.149 1.00 0.00 H new ATOM 0 HA HIS A 91 12.529 -1.099 -6.827 1.00 0.00 H new ATOM 0 HB2 HIS A 91 14.453 -2.169 -7.903 1.00 0.00 H new ATOM 0 HB3 HIS A 91 13.700 -3.267 -6.764 1.00 0.00 H new ATOM 0 HD2 HIS A 91 15.545 -3.960 -9.368 1.00 0.00 H new ATOM 0 HE1 HIS A 91 12.188 -5.981 -10.844 1.00 0.00 H new ATOM 0 HE2 HIS A 91 14.709 -5.691 -11.032 1.00 0.00 H new ATOM 1476 N GLY A 92 11.091 -1.391 -9.652 1.00 0.00 N ATOM 1477 CA GLY A 92 10.816 -0.726 -10.912 1.00 0.00 C ATOM 1478 C GLY A 92 9.788 0.381 -10.773 1.00 0.00 C ATOM 1479 O GLY A 92 9.726 1.288 -11.604 1.00 0.00 O ATOM 0 H GLY A 92 10.409 -2.101 -9.385 1.00 0.00 H new ATOM 0 HA2 GLY A 92 11.742 -0.310 -11.309 1.00 0.00 H new ATOM 0 HA3 GLY A 92 10.460 -1.459 -11.636 1.00 0.00 H new ATOM 1483 N THR A 93 8.978 0.307 -9.720 1.00 0.00 N ATOM 1484 CA THR A 93 7.947 1.308 -9.470 1.00 0.00 C ATOM 1485 C THR A 93 7.981 1.774 -8.017 1.00 0.00 C ATOM 1486 O THR A 93 7.677 1.009 -7.102 1.00 0.00 O ATOM 1487 CB THR A 93 6.543 0.760 -9.789 1.00 0.00 C ATOM 1488 OG1 THR A 93 6.537 0.151 -11.085 1.00 0.00 O ATOM 1489 CG2 THR A 93 5.504 1.871 -9.746 1.00 0.00 C ATOM 0 H THR A 93 9.017 -0.438 -9.025 1.00 0.00 H new ATOM 0 HA THR A 93 8.156 2.152 -10.127 1.00 0.00 H new ATOM 0 HB THR A 93 6.290 0.015 -9.034 1.00 0.00 H new ATOM 0 HG1 THR A 93 5.641 -0.196 -11.279 1.00 0.00 H new ATOM 0 HG21 THR A 93 4.521 1.459 -9.975 1.00 0.00 H new ATOM 0 HG22 THR A 93 5.488 2.316 -8.751 1.00 0.00 H new ATOM 0 HG23 THR A 93 5.757 2.635 -10.481 1.00 0.00 H new ATOM 1497 N GLY A 94 8.354 3.037 -7.814 1.00 0.00 N ATOM 1498 CA GLY A 94 8.427 3.588 -6.471 1.00 0.00 C ATOM 1499 C GLY A 94 7.080 3.590 -5.768 1.00 0.00 C ATOM 1500 O GLY A 94 6.995 3.306 -4.573 1.00 0.00 O ATOM 0 H GLY A 94 8.607 3.688 -8.557 1.00 0.00 H new ATOM 0 HA2 GLY A 94 9.139 3.009 -5.883 1.00 0.00 H new ATOM 0 HA3 GLY A 94 8.809 4.608 -6.521 1.00 0.00 H new ATOM 1504 N MET A 95 6.028 3.919 -6.513 1.00 0.00 N ATOM 1505 CA MET A 95 4.673 3.956 -5.968 1.00 0.00 C ATOM 1506 C MET A 95 3.649 3.859 -7.094 1.00 0.00 C ATOM 1507 O MET A 95 3.792 4.512 -8.128 1.00 0.00 O ATOM 1508 CB MET A 95 4.450 5.238 -5.165 1.00 0.00 C ATOM 1509 CG MET A 95 3.051 5.350 -4.579 1.00 0.00 C ATOM 1510 SD MET A 95 2.608 3.937 -3.553 1.00 0.00 S ATOM 1511 CE MET A 95 3.739 4.155 -2.183 1.00 0.00 C ATOM 0 H MET A 95 6.088 4.165 -7.501 1.00 0.00 H new ATOM 0 HA MET A 95 4.548 3.103 -5.301 1.00 0.00 H new ATOM 0 HB2 MET A 95 5.179 5.282 -4.356 1.00 0.00 H new ATOM 0 HB3 MET A 95 4.636 6.098 -5.809 1.00 0.00 H new ATOM 0 HG2 MET A 95 2.983 6.261 -3.984 1.00 0.00 H new ATOM 0 HG3 MET A 95 2.329 5.445 -5.390 1.00 0.00 H new ATOM 0 HE1 MET A 95 3.507 3.432 -1.401 1.00 0.00 H new ATOM 0 HE2 MET A 95 4.762 4.002 -2.527 1.00 0.00 H new ATOM 0 HE3 MET A 95 3.638 5.165 -1.785 1.00 0.00 H new ATOM 1521 N ARG A 96 2.617 3.045 -6.892 1.00 0.00 N ATOM 1522 CA ARG A 96 1.585 2.868 -7.907 1.00 0.00 C ATOM 1523 C ARG A 96 0.263 2.453 -7.274 1.00 0.00 C ATOM 1524 O ARG A 96 0.093 1.307 -6.876 1.00 0.00 O ATOM 1525 CB ARG A 96 2.035 1.818 -8.917 1.00 0.00 C ATOM 1526 CG ARG A 96 1.469 2.023 -10.312 1.00 0.00 C ATOM 1527 CD ARG A 96 0.060 1.466 -10.428 1.00 0.00 C ATOM 1528 NE ARG A 96 -0.531 1.729 -11.736 1.00 0.00 N ATOM 1529 CZ ARG A 96 -1.681 1.199 -12.146 1.00 0.00 C ATOM 1530 NH1 ARG A 96 -2.360 0.384 -11.350 1.00 0.00 N ATOM 1531 NH2 ARG A 96 -2.153 1.485 -13.352 1.00 0.00 N ATOM 0 H ARG A 96 2.474 2.501 -6.041 1.00 0.00 H new ATOM 0 HA ARG A 96 1.432 3.820 -8.416 1.00 0.00 H new ATOM 0 HB2 ARG A 96 3.124 1.825 -8.973 1.00 0.00 H new ATOM 0 HB3 ARG A 96 1.740 0.832 -8.557 1.00 0.00 H new ATOM 0 HG2 ARG A 96 1.462 3.087 -10.550 1.00 0.00 H new ATOM 0 HG3 ARG A 96 2.115 1.537 -11.043 1.00 0.00 H new ATOM 0 HD2 ARG A 96 0.080 0.391 -10.250 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -0.568 1.906 -9.653 1.00 0.00 H new ATOM 0 HE ARG A 96 -0.035 2.354 -12.372 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -2.001 0.162 -10.421 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -3.241 -0.021 -11.666 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -1.634 2.112 -13.967 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -3.034 1.078 -13.664 1.00 0.00 H new ATOM 1545 N ILE A 97 -0.677 3.386 -7.203 1.00 0.00 N ATOM 1546 CA ILE A 97 -1.978 3.123 -6.619 1.00 0.00 C ATOM 1547 C ILE A 97 -2.747 2.063 -7.407 1.00 0.00 C ATOM 1548 O ILE A 97 -2.451 1.800 -8.573 1.00 0.00 O ATOM 1549 CB ILE A 97 -2.794 4.425 -6.546 1.00 0.00 C ATOM 1550 CG1 ILE A 97 -3.875 4.335 -5.464 1.00 0.00 C ATOM 1551 CG2 ILE A 97 -3.387 4.762 -7.903 1.00 0.00 C ATOM 1552 CD1 ILE A 97 -5.242 3.910 -5.956 1.00 0.00 C ATOM 0 H ILE A 97 -0.557 4.339 -7.547 1.00 0.00 H new ATOM 0 HA ILE A 97 -1.820 2.737 -5.612 1.00 0.00 H new ATOM 0 HB ILE A 97 -2.122 5.237 -6.267 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -3.545 3.630 -4.701 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -3.966 5.308 -4.981 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -3.960 5.686 -7.830 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -2.584 4.889 -8.629 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -4.043 3.953 -8.225 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -5.937 3.876 -5.117 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -5.601 4.626 -6.696 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -5.174 2.922 -6.411 1.00 0.00 H new ATOM 1564 N LEU A 98 -3.732 1.463 -6.755 1.00 0.00 N ATOM 1565 CA LEU A 98 -4.555 0.440 -7.367 1.00 0.00 C ATOM 1566 C LEU A 98 -6.030 0.670 -7.078 1.00 0.00 C ATOM 1567 O LEU A 98 -6.550 0.206 -6.064 1.00 0.00 O ATOM 1568 CB LEU A 98 -4.164 -0.955 -6.870 1.00 0.00 C ATOM 1569 CG LEU A 98 -4.573 -2.071 -7.819 1.00 0.00 C ATOM 1570 CD1 LEU A 98 -3.782 -1.933 -9.103 1.00 0.00 C ATOM 1571 CD2 LEU A 98 -4.384 -3.447 -7.196 1.00 0.00 C ATOM 0 H LEU A 98 -3.980 1.674 -5.788 1.00 0.00 H new ATOM 0 HA LEU A 98 -4.387 0.501 -8.442 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.085 -0.991 -6.723 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -4.624 -1.128 -5.897 1.00 0.00 H new ATOM 0 HG LEU A 98 -5.638 -1.979 -8.035 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -4.066 -2.728 -9.793 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -3.993 -0.965 -9.558 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -2.717 -2.006 -8.884 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -4.688 -4.214 -7.908 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -3.335 -3.588 -6.937 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -4.994 -3.526 -6.296 1.00 0.00 H new ATOM 1583 N ASP A 99 -6.698 1.402 -7.960 1.00 0.00 N ATOM 1584 CA ASP A 99 -8.124 1.653 -7.803 1.00 0.00 C ATOM 1585 C ASP A 99 -8.874 0.334 -7.884 1.00 0.00 C ATOM 1586 O ASP A 99 -9.308 -0.076 -8.960 1.00 0.00 O ATOM 1587 CB ASP A 99 -8.636 2.594 -8.893 1.00 0.00 C ATOM 1588 CG ASP A 99 -9.842 3.399 -8.445 1.00 0.00 C ATOM 1589 OD1 ASP A 99 -10.526 2.966 -7.493 1.00 0.00 O ATOM 1590 OD2 ASP A 99 -10.101 4.463 -9.045 1.00 0.00 O ATOM 0 H ASP A 99 -6.279 1.830 -8.786 1.00 0.00 H new ATOM 0 HA ASP A 99 -8.291 2.124 -6.834 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -7.837 3.275 -9.186 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -8.899 2.013 -9.777 1.00 0.00 H new ATOM 1595 N LEU A 100 -9.004 -0.336 -6.749 1.00 0.00 N ATOM 1596 CA LEU A 100 -9.691 -1.616 -6.704 1.00 0.00 C ATOM 1597 C LEU A 100 -11.107 -1.494 -7.247 1.00 0.00 C ATOM 1598 O LEU A 100 -11.702 -2.481 -7.681 1.00 0.00 O ATOM 1599 CB LEU A 100 -9.710 -2.168 -5.273 1.00 0.00 C ATOM 1600 CG LEU A 100 -8.333 -2.330 -4.618 1.00 0.00 C ATOM 1601 CD1 LEU A 100 -8.397 -3.310 -3.449 1.00 0.00 C ATOM 1602 CD2 LEU A 100 -7.310 -2.790 -5.648 1.00 0.00 C ATOM 0 H LEU A 100 -8.644 -0.015 -5.850 1.00 0.00 H new ATOM 0 HA LEU A 100 -9.144 -2.315 -7.337 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -10.314 -1.505 -4.653 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -10.207 -3.138 -5.281 1.00 0.00 H new ATOM 0 HG LEU A 100 -8.023 -1.361 -4.227 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -7.408 -3.408 -3.001 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -9.099 -2.939 -2.702 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -8.730 -4.284 -3.808 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -6.337 -2.901 -5.170 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -7.620 -3.748 -6.066 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -7.240 -2.051 -6.446 1.00 0.00 H new ATOM 1614 N ARG A 101 -11.645 -0.278 -7.216 1.00 0.00 N ATOM 1615 CA ARG A 101 -12.980 -0.026 -7.733 1.00 0.00 C ATOM 1616 C ARG A 101 -13.061 -0.460 -9.190 1.00 0.00 C ATOM 1617 O ARG A 101 -14.147 -0.613 -9.751 1.00 0.00 O ATOM 1618 CB ARG A 101 -13.311 1.459 -7.606 1.00 0.00 C ATOM 1619 CG ARG A 101 -13.368 1.941 -6.168 1.00 0.00 C ATOM 1620 CD ARG A 101 -14.681 1.559 -5.505 1.00 0.00 C ATOM 1621 NE ARG A 101 -15.835 2.046 -6.256 1.00 0.00 N ATOM 1622 CZ ARG A 101 -17.095 1.860 -5.875 1.00 0.00 C ATOM 1623 NH1 ARG A 101 -17.363 1.205 -4.753 1.00 0.00 N ATOM 1624 NH2 ARG A 101 -18.089 2.330 -6.616 1.00 0.00 N ATOM 0 H ARG A 101 -11.175 0.545 -6.838 1.00 0.00 H new ATOM 0 HA ARG A 101 -13.704 -0.600 -7.155 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -12.563 2.038 -8.147 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -14.271 1.652 -8.085 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -12.537 1.513 -5.606 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -13.247 3.024 -6.141 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -14.739 0.474 -5.414 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -14.708 1.966 -4.494 1.00 0.00 H new ATOM 0 HE ARG A 101 -15.665 2.558 -7.122 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -16.601 0.842 -4.180 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -18.331 1.064 -4.464 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -17.887 2.835 -7.479 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -19.055 2.187 -6.323 1.00 0.00 H new ATOM 1638 N LEU A 102 -11.891 -0.656 -9.793 1.00 0.00 N ATOM 1639 CA LEU A 102 -11.795 -1.077 -11.179 1.00 0.00 C ATOM 1640 C LEU A 102 -11.712 -2.596 -11.282 1.00 0.00 C ATOM 1641 O LEU A 102 -12.382 -3.207 -12.115 1.00 0.00 O ATOM 1642 CB LEU A 102 -10.557 -0.458 -11.823 1.00 0.00 C ATOM 1643 CG LEU A 102 -10.430 1.059 -11.675 1.00 0.00 C ATOM 1644 CD1 LEU A 102 -9.076 1.525 -12.180 1.00 0.00 C ATOM 1645 CD2 LEU A 102 -11.552 1.766 -12.420 1.00 0.00 C ATOM 0 H LEU A 102 -10.990 -0.527 -9.333 1.00 0.00 H new ATOM 0 HA LEU A 102 -12.691 -0.740 -11.701 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -9.672 -0.924 -11.390 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -10.559 -0.704 -12.885 1.00 0.00 H new ATOM 0 HG LEU A 102 -10.512 1.312 -10.618 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -8.999 2.607 -12.069 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -8.287 1.044 -11.602 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -8.969 1.260 -13.232 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -11.444 2.844 -12.302 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -11.504 1.510 -13.478 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -12.513 1.451 -12.014 1.00 0.00 H new ATOM 1657 N PHE A 103 -10.889 -3.202 -10.428 1.00 0.00 N ATOM 1658 CA PHE A 103 -10.712 -4.649 -10.443 1.00 0.00 C ATOM 1659 C PHE A 103 -11.517 -5.320 -9.334 1.00 0.00 C ATOM 1660 O PHE A 103 -12.580 -4.840 -8.939 1.00 0.00 O ATOM 1661 CB PHE A 103 -9.230 -4.996 -10.296 1.00 0.00 C ATOM 1662 CG PHE A 103 -8.320 -3.871 -10.670 1.00 0.00 C ATOM 1663 CD1 PHE A 103 -7.924 -3.680 -11.984 1.00 0.00 C ATOM 1664 CD2 PHE A 103 -7.864 -3.000 -9.702 1.00 0.00 C ATOM 1665 CE1 PHE A 103 -7.085 -2.636 -12.319 1.00 0.00 C ATOM 1666 CE2 PHE A 103 -7.029 -1.960 -10.028 1.00 0.00 C ATOM 1667 CZ PHE A 103 -6.636 -1.774 -11.338 1.00 0.00 C ATOM 0 H PHE A 103 -10.338 -2.715 -9.721 1.00 0.00 H new ATOM 0 HA PHE A 103 -11.079 -5.023 -11.399 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -9.032 -5.286 -9.264 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -9.003 -5.861 -10.919 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -8.274 -4.353 -12.752 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -8.168 -3.138 -8.675 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -6.781 -2.494 -13.345 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -6.679 -1.287 -9.259 1.00 0.00 H new ATOM 0 HZ PHE A 103 -5.979 -0.956 -11.595 1.00 0.00 H new ATOM 1677 N GLU A 104 -10.996 -6.437 -8.842 1.00 0.00 N ATOM 1678 CA GLU A 104 -11.640 -7.199 -7.788 1.00 0.00 C ATOM 1679 C GLU A 104 -10.587 -7.871 -6.927 1.00 0.00 C ATOM 1680 O GLU A 104 -9.437 -7.444 -6.901 1.00 0.00 O ATOM 1681 CB GLU A 104 -12.582 -8.243 -8.391 1.00 0.00 C ATOM 1682 CG GLU A 104 -11.917 -9.132 -9.429 1.00 0.00 C ATOM 1683 CD GLU A 104 -12.860 -10.174 -9.997 1.00 0.00 C ATOM 1684 OE1 GLU A 104 -12.962 -11.269 -9.405 1.00 0.00 O ATOM 1685 OE2 GLU A 104 -13.497 -9.894 -11.035 1.00 0.00 O ATOM 0 H GLU A 104 -10.115 -6.837 -9.165 1.00 0.00 H new ATOM 0 HA GLU A 104 -12.227 -6.524 -7.166 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -12.980 -8.867 -7.591 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -13.430 -7.734 -8.850 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -11.535 -8.513 -10.241 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -11.059 -9.631 -8.978 1.00 0.00 H new ATOM 1692 N THR A 105 -10.976 -8.910 -6.212 1.00 0.00 N ATOM 1693 CA THR A 105 -10.030 -9.625 -5.370 1.00 0.00 C ATOM 1694 C THR A 105 -8.925 -10.258 -6.210 1.00 0.00 C ATOM 1695 O THR A 105 -7.747 -9.956 -6.033 1.00 0.00 O ATOM 1696 CB THR A 105 -10.724 -10.723 -4.539 1.00 0.00 C ATOM 1697 OG1 THR A 105 -11.451 -10.136 -3.454 1.00 0.00 O ATOM 1698 CG2 THR A 105 -9.708 -11.719 -4.001 1.00 0.00 C ATOM 0 H THR A 105 -11.928 -9.276 -6.195 1.00 0.00 H new ATOM 0 HA THR A 105 -9.596 -8.893 -4.689 1.00 0.00 H new ATOM 0 HB THR A 105 -11.418 -11.254 -5.190 1.00 0.00 H new ATOM 0 HG1 THR A 105 -10.997 -9.319 -3.160 1.00 0.00 H new ATOM 0 HG21 THR A 105 -10.222 -12.484 -3.418 1.00 0.00 H new ATOM 0 HG22 THR A 105 -9.183 -12.188 -4.833 1.00 0.00 H new ATOM 0 HG23 THR A 105 -8.990 -11.200 -3.366 1.00 0.00 H new ATOM 1706 N ASP A 106 -9.314 -11.128 -7.135 1.00 0.00 N ATOM 1707 CA ASP A 106 -8.349 -11.801 -7.996 1.00 0.00 C ATOM 1708 C ASP A 106 -7.877 -10.875 -9.106 1.00 0.00 C ATOM 1709 O ASP A 106 -6.801 -11.061 -9.672 1.00 0.00 O ATOM 1710 CB ASP A 106 -8.967 -13.063 -8.595 1.00 0.00 C ATOM 1711 CG ASP A 106 -8.003 -13.808 -9.498 1.00 0.00 C ATOM 1712 OD1 ASP A 106 -7.223 -14.633 -8.981 1.00 0.00 O ATOM 1713 OD2 ASP A 106 -8.027 -13.562 -10.723 1.00 0.00 O ATOM 0 H ASP A 106 -10.286 -11.383 -7.308 1.00 0.00 H new ATOM 0 HA ASP A 106 -7.487 -12.080 -7.390 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -9.290 -13.723 -7.790 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -9.858 -12.794 -9.163 1.00 0.00 H new ATOM 1718 N GLY A 107 -8.691 -9.875 -9.406 1.00 0.00 N ATOM 1719 CA GLY A 107 -8.345 -8.921 -10.445 1.00 0.00 C ATOM 1720 C GLY A 107 -7.270 -7.953 -9.995 1.00 0.00 C ATOM 1721 O GLY A 107 -6.241 -7.803 -10.655 1.00 0.00 O ATOM 0 H GLY A 107 -9.587 -9.705 -8.949 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -8.002 -9.458 -11.329 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -9.235 -8.364 -10.736 1.00 0.00 H new ATOM 1725 N ALA A 108 -7.514 -7.297 -8.867 1.00 0.00 N ATOM 1726 CA ALA A 108 -6.567 -6.341 -8.309 1.00 0.00 C ATOM 1727 C ALA A 108 -5.259 -7.026 -7.945 1.00 0.00 C ATOM 1728 O ALA A 108 -4.183 -6.557 -8.302 1.00 0.00 O ATOM 1729 CB ALA A 108 -7.166 -5.667 -7.087 1.00 0.00 C ATOM 0 H ALA A 108 -8.366 -7.411 -8.318 1.00 0.00 H new ATOM 0 HA ALA A 108 -6.356 -5.584 -9.064 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -6.450 -4.954 -6.677 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -8.078 -5.143 -7.371 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -7.400 -6.420 -6.334 1.00 0.00 H new ATOM 1735 N LEU A 109 -5.354 -8.132 -7.220 1.00 0.00 N ATOM 1736 CA LEU A 109 -4.172 -8.879 -6.830 1.00 0.00 C ATOM 1737 C LEU A 109 -3.330 -9.175 -8.059 1.00 0.00 C ATOM 1738 O LEU A 109 -2.122 -8.935 -8.077 1.00 0.00 O ATOM 1739 CB LEU A 109 -4.592 -10.175 -6.146 1.00 0.00 C ATOM 1740 CG LEU A 109 -3.690 -10.658 -5.004 1.00 0.00 C ATOM 1741 CD1 LEU A 109 -3.373 -9.526 -4.038 1.00 0.00 C ATOM 1742 CD2 LEU A 109 -4.360 -11.804 -4.265 1.00 0.00 C ATOM 0 H LEU A 109 -6.235 -8.529 -6.892 1.00 0.00 H new ATOM 0 HA LEU A 109 -3.578 -8.290 -6.132 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -5.601 -10.045 -5.755 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -4.641 -10.961 -6.900 1.00 0.00 H new ATOM 0 HG LEU A 109 -2.751 -11.006 -5.435 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -2.732 -9.898 -3.239 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -2.860 -8.725 -4.571 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -4.299 -9.142 -3.611 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -3.714 -12.142 -3.455 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -5.311 -11.465 -3.853 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -4.537 -12.628 -4.956 1.00 0.00 H new ATOM 1754 N GLU A 110 -3.991 -9.683 -9.093 1.00 0.00 N ATOM 1755 CA GLU A 110 -3.320 -10.001 -10.345 1.00 0.00 C ATOM 1756 C GLU A 110 -2.640 -8.767 -10.924 1.00 0.00 C ATOM 1757 O GLU A 110 -1.597 -8.877 -11.563 1.00 0.00 O ATOM 1758 CB GLU A 110 -4.299 -10.587 -11.353 1.00 0.00 C ATOM 1759 CG GLU A 110 -4.475 -12.089 -11.221 1.00 0.00 C ATOM 1760 CD GLU A 110 -3.183 -12.851 -11.444 1.00 0.00 C ATOM 1761 OE1 GLU A 110 -2.901 -13.215 -12.605 1.00 0.00 O ATOM 1762 OE2 GLU A 110 -2.453 -13.083 -10.457 1.00 0.00 O ATOM 0 H GLU A 110 -4.991 -9.883 -9.088 1.00 0.00 H new ATOM 0 HA GLU A 110 -2.556 -10.749 -10.133 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -5.268 -10.103 -11.230 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -3.953 -10.357 -12.361 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -4.861 -12.320 -10.228 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -5.221 -12.428 -11.940 1.00 0.00 H new ATOM 1769 N GLU A 111 -3.242 -7.592 -10.715 1.00 0.00 N ATOM 1770 CA GLU A 111 -2.650 -6.346 -11.197 1.00 0.00 C ATOM 1771 C GLU A 111 -1.224 -6.259 -10.692 1.00 0.00 C ATOM 1772 O GLU A 111 -0.275 -6.083 -11.459 1.00 0.00 O ATOM 1773 CB GLU A 111 -3.437 -5.135 -10.702 1.00 0.00 C ATOM 1774 CG GLU A 111 -4.724 -4.888 -11.459 1.00 0.00 C ATOM 1775 CD GLU A 111 -4.484 -4.534 -12.914 1.00 0.00 C ATOM 1776 OE1 GLU A 111 -4.155 -3.362 -13.193 1.00 0.00 O ATOM 1777 OE2 GLU A 111 -4.623 -5.430 -13.773 1.00 0.00 O ATOM 0 H GLU A 111 -4.128 -7.480 -10.221 1.00 0.00 H new ATOM 0 HA GLU A 111 -2.673 -6.344 -12.287 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -3.669 -5.272 -9.646 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -2.807 -4.249 -10.778 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -5.351 -5.778 -11.404 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -5.275 -4.080 -10.978 1.00 0.00 H new ATOM 1784 N ILE A 112 -1.094 -6.361 -9.378 1.00 0.00 N ATOM 1785 CA ILE A 112 0.211 -6.347 -8.742 1.00 0.00 C ATOM 1786 C ILE A 112 1.147 -7.318 -9.459 1.00 0.00 C ATOM 1787 O ILE A 112 2.310 -7.003 -9.704 1.00 0.00 O ATOM 1788 CB ILE A 112 0.112 -6.708 -7.244 1.00 0.00 C ATOM 1789 CG1 ILE A 112 -0.744 -5.678 -6.513 1.00 0.00 C ATOM 1790 CG2 ILE A 112 1.495 -6.792 -6.617 1.00 0.00 C ATOM 1791 CD1 ILE A 112 -2.139 -6.164 -6.213 1.00 0.00 C ATOM 0 H ILE A 112 -1.878 -6.454 -8.732 1.00 0.00 H new ATOM 0 HA ILE A 112 0.613 -5.337 -8.814 1.00 0.00 H new ATOM 0 HB ILE A 112 -0.361 -7.686 -7.154 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -0.253 -5.406 -5.579 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -0.805 -4.772 -7.117 1.00 0.00 H new ATOM 0 HG21 ILE A 112 1.401 -7.047 -5.562 1.00 0.00 H new ATOM 0 HG22 ILE A 112 2.079 -7.559 -7.125 1.00 0.00 H new ATOM 0 HG23 ILE A 112 1.998 -5.830 -6.714 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -2.693 -5.382 -5.693 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -2.647 -6.409 -7.146 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -2.087 -7.052 -5.584 1.00 0.00 H new ATOM 1803 N LEU A 113 0.626 -8.502 -9.792 1.00 0.00 N ATOM 1804 CA LEU A 113 1.395 -9.504 -10.508 1.00 0.00 C ATOM 1805 C LEU A 113 1.735 -9.048 -11.928 1.00 0.00 C ATOM 1806 O LEU A 113 2.735 -9.481 -12.497 1.00 0.00 O ATOM 1807 CB LEU A 113 0.637 -10.824 -10.542 1.00 0.00 C ATOM 1808 CG LEU A 113 0.766 -11.698 -9.304 1.00 0.00 C ATOM 1809 CD1 LEU A 113 2.191 -11.784 -8.832 1.00 0.00 C ATOM 1810 CD2 LEU A 113 -0.141 -11.171 -8.228 1.00 0.00 C ATOM 0 H LEU A 113 -0.330 -8.784 -9.573 1.00 0.00 H new ATOM 0 HA LEU A 113 2.335 -9.646 -9.974 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -0.420 -10.610 -10.703 1.00 0.00 H new ATOM 0 HB3 LEU A 113 0.981 -11.396 -11.404 1.00 0.00 H new ATOM 0 HG LEU A 113 0.463 -12.714 -9.557 1.00 0.00 H new ATOM 0 HD11 LEU A 113 2.243 -12.417 -7.946 1.00 0.00 H new ATOM 0 HD12 LEU A 113 2.810 -12.212 -9.620 1.00 0.00 H new ATOM 0 HD13 LEU A 113 2.554 -10.786 -8.587 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -0.051 -11.795 -7.339 1.00 0.00 H new ATOM 0 HD22 LEU A 113 0.142 -10.147 -7.983 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -1.172 -11.188 -8.581 1.00 0.00 H new ATOM 2019 N ARG A 127 5.055 -11.747 3.946 1.00 0.00 N ATOM 2020 CA ARG A 127 4.549 -10.824 4.958 1.00 0.00 C ATOM 2021 C ARG A 127 3.752 -9.679 4.339 1.00 0.00 C ATOM 2022 O ARG A 127 2.677 -9.334 4.826 1.00 0.00 O ATOM 2023 CB ARG A 127 5.710 -10.259 5.780 1.00 0.00 C ATOM 2024 CG ARG A 127 6.332 -11.267 6.732 1.00 0.00 C ATOM 2025 CD ARG A 127 5.683 -11.210 8.107 1.00 0.00 C ATOM 2026 NE ARG A 127 4.241 -11.433 8.050 1.00 0.00 N ATOM 2027 CZ ARG A 127 3.437 -11.337 9.105 1.00 0.00 C ATOM 2028 NH1 ARG A 127 3.933 -11.028 10.295 1.00 0.00 N ATOM 2029 NH2 ARG A 127 2.135 -11.549 8.971 1.00 0.00 N ATOM 0 HA ARG A 127 3.877 -11.386 5.606 1.00 0.00 H new ATOM 0 HB2 ARG A 127 6.479 -9.891 5.101 1.00 0.00 H new ATOM 0 HB3 ARG A 127 5.355 -9.403 6.353 1.00 0.00 H new ATOM 0 HG2 ARG A 127 6.227 -12.271 6.320 1.00 0.00 H new ATOM 0 HG3 ARG A 127 7.400 -11.071 6.824 1.00 0.00 H new ATOM 0 HD2 ARG A 127 6.139 -11.960 8.753 1.00 0.00 H new ATOM 0 HD3 ARG A 127 5.880 -10.238 8.559 1.00 0.00 H new ATOM 0 HE ARG A 127 3.827 -11.676 7.150 1.00 0.00 H new ATOM 0 HH11 ARG A 127 4.934 -10.863 10.403 1.00 0.00 H new ATOM 0 HH12 ARG A 127 3.314 -10.955 11.102 1.00 0.00 H new ATOM 0 HH21 ARG A 127 1.748 -11.786 8.057 1.00 0.00 H new ATOM 0 HH22 ARG A 127 1.520 -11.475 9.781 1.00 0.00 H new ATOM 2043 N MET A 128 4.282 -9.084 3.278 1.00 0.00 N ATOM 2044 CA MET A 128 3.602 -7.977 2.613 1.00 0.00 C ATOM 2045 C MET A 128 2.281 -8.443 2.022 1.00 0.00 C ATOM 2046 O MET A 128 1.245 -7.802 2.198 1.00 0.00 O ATOM 2047 CB MET A 128 4.502 -7.371 1.523 1.00 0.00 C ATOM 2048 CG MET A 128 3.773 -6.955 0.247 1.00 0.00 C ATOM 2049 SD MET A 128 4.498 -7.683 -1.234 1.00 0.00 S ATOM 2050 CE MET A 128 3.078 -8.553 -1.894 1.00 0.00 C ATOM 0 H MET A 128 5.175 -9.346 2.861 1.00 0.00 H new ATOM 0 HA MET A 128 3.392 -7.204 3.352 1.00 0.00 H new ATOM 0 HB2 MET A 128 5.010 -6.499 1.935 1.00 0.00 H new ATOM 0 HB3 MET A 128 5.273 -8.096 1.264 1.00 0.00 H new ATOM 0 HG2 MET A 128 2.726 -7.251 0.318 1.00 0.00 H new ATOM 0 HG3 MET A 128 3.792 -5.869 0.160 1.00 0.00 H new ATOM 0 HE1 MET A 128 3.307 -9.616 -1.973 1.00 0.00 H new ATOM 0 HE2 MET A 128 2.225 -8.414 -1.230 1.00 0.00 H new ATOM 0 HE3 MET A 128 2.837 -8.160 -2.882 1.00 0.00 H new ATOM 2060 N PHE A 129 2.335 -9.562 1.319 1.00 0.00 N ATOM 2061 CA PHE A 129 1.158 -10.130 0.681 1.00 0.00 C ATOM 2062 C PHE A 129 0.064 -10.408 1.706 1.00 0.00 C ATOM 2063 O PHE A 129 -1.118 -10.442 1.367 1.00 0.00 O ATOM 2064 CB PHE A 129 1.541 -11.411 -0.057 1.00 0.00 C ATOM 2065 CG PHE A 129 0.441 -11.985 -0.904 1.00 0.00 C ATOM 2066 CD1 PHE A 129 -0.002 -11.315 -2.032 1.00 0.00 C ATOM 2067 CD2 PHE A 129 -0.140 -13.200 -0.577 1.00 0.00 C ATOM 2068 CE1 PHE A 129 -1.005 -11.846 -2.820 1.00 0.00 C ATOM 2069 CE2 PHE A 129 -1.144 -13.736 -1.361 1.00 0.00 C ATOM 2070 CZ PHE A 129 -1.576 -13.058 -2.483 1.00 0.00 C ATOM 0 H PHE A 129 3.190 -10.100 1.175 1.00 0.00 H new ATOM 0 HA PHE A 129 0.766 -9.409 -0.037 1.00 0.00 H new ATOM 0 HB2 PHE A 129 2.404 -11.208 -0.691 1.00 0.00 H new ATOM 0 HB3 PHE A 129 1.851 -12.159 0.673 1.00 0.00 H new ATOM 0 HD1 PHE A 129 0.441 -10.367 -2.299 1.00 0.00 H new ATOM 0 HD2 PHE A 129 0.195 -13.734 0.300 1.00 0.00 H new ATOM 0 HE1 PHE A 129 -1.342 -11.315 -3.698 1.00 0.00 H new ATOM 0 HE2 PHE A 129 -1.590 -14.683 -1.096 1.00 0.00 H new ATOM 0 HZ PHE A 129 -2.360 -13.475 -3.097 1.00 0.00 H new ATOM 2080 N ARG A 130 0.464 -10.616 2.957 1.00 0.00 N ATOM 2081 CA ARG A 130 -0.491 -10.870 4.028 1.00 0.00 C ATOM 2082 C ARG A 130 -1.530 -9.758 4.072 1.00 0.00 C ATOM 2083 O ARG A 130 -2.732 -10.017 4.115 1.00 0.00 O ATOM 2084 CB ARG A 130 0.228 -10.967 5.373 1.00 0.00 C ATOM 2085 CG ARG A 130 1.218 -12.115 5.453 1.00 0.00 C ATOM 2086 CD ARG A 130 0.573 -13.358 6.021 1.00 0.00 C ATOM 2087 NE ARG A 130 1.522 -14.174 6.775 1.00 0.00 N ATOM 2088 CZ ARG A 130 1.160 -15.104 7.654 1.00 0.00 C ATOM 2089 NH1 ARG A 130 -0.124 -15.332 7.892 1.00 0.00 N ATOM 2090 NH2 ARG A 130 2.085 -15.804 8.299 1.00 0.00 N ATOM 0 H ARG A 130 1.440 -10.614 3.252 1.00 0.00 H new ATOM 0 HA ARG A 130 -0.991 -11.818 3.832 1.00 0.00 H new ATOM 0 HB2 ARG A 130 0.754 -10.031 5.562 1.00 0.00 H new ATOM 0 HB3 ARG A 130 -0.513 -11.082 6.164 1.00 0.00 H new ATOM 0 HG2 ARG A 130 1.611 -12.329 4.459 1.00 0.00 H new ATOM 0 HG3 ARG A 130 2.065 -11.825 6.075 1.00 0.00 H new ATOM 0 HD2 ARG A 130 -0.255 -13.072 6.670 1.00 0.00 H new ATOM 0 HD3 ARG A 130 0.151 -13.950 5.209 1.00 0.00 H new ATOM 0 HE ARG A 130 2.518 -14.022 6.618 1.00 0.00 H new ATOM 0 HH11 ARG A 130 -0.837 -14.794 7.400 1.00 0.00 H new ATOM 0 HH12 ARG A 130 -0.399 -16.046 8.567 1.00 0.00 H new ATOM 0 HH21 ARG A 130 3.074 -15.629 8.121 1.00 0.00 H new ATOM 0 HH22 ARG A 130 1.807 -16.517 8.973 1.00 0.00 H new ATOM 2104 N LEU A 131 -1.053 -8.516 4.061 1.00 0.00 N ATOM 2105 CA LEU A 131 -1.925 -7.364 4.081 1.00 0.00 C ATOM 2106 C LEU A 131 -2.470 -7.089 2.684 1.00 0.00 C ATOM 2107 O LEU A 131 -3.664 -6.852 2.502 1.00 0.00 O ATOM 2108 CB LEU A 131 -1.170 -6.126 4.565 1.00 0.00 C ATOM 2109 CG LEU A 131 -0.454 -6.225 5.910 1.00 0.00 C ATOM 2110 CD1 LEU A 131 -1.337 -6.887 6.947 1.00 0.00 C ATOM 2111 CD2 LEU A 131 0.869 -6.951 5.764 1.00 0.00 C ATOM 0 H LEU A 131 -0.059 -8.290 4.038 1.00 0.00 H new ATOM 0 HA LEU A 131 -2.748 -7.579 4.763 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -0.431 -5.864 3.808 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -1.878 -5.299 4.620 1.00 0.00 H new ATOM 0 HG LEU A 131 -0.241 -5.214 6.257 1.00 0.00 H new ATOM 0 HD11 LEU A 131 -0.803 -6.945 7.896 1.00 0.00 H new ATOM 0 HD12 LEU A 131 -2.247 -6.301 7.078 1.00 0.00 H new ATOM 0 HD13 LEU A 131 -1.597 -7.892 6.615 1.00 0.00 H new ATOM 0 HD21 LEU A 131 1.361 -7.009 6.735 1.00 0.00 H new ATOM 0 HD22 LEU A 131 0.692 -7.958 5.386 1.00 0.00 H new ATOM 0 HD23 LEU A 131 1.507 -6.408 5.066 1.00 0.00 H new ATOM 2123 N LEU A 132 -1.567 -7.119 1.705 1.00 0.00 N ATOM 2124 CA LEU A 132 -1.911 -6.863 0.310 1.00 0.00 C ATOM 2125 C LEU A 132 -3.162 -7.613 -0.117 1.00 0.00 C ATOM 2126 O LEU A 132 -4.154 -7.013 -0.533 1.00 0.00 O ATOM 2127 CB LEU A 132 -0.756 -7.294 -0.589 1.00 0.00 C ATOM 2128 CG LEU A 132 -0.771 -6.688 -1.987 1.00 0.00 C ATOM 2129 CD1 LEU A 132 0.061 -5.418 -2.022 1.00 0.00 C ATOM 2130 CD2 LEU A 132 -0.265 -7.701 -2.995 1.00 0.00 C ATOM 0 H LEU A 132 -0.579 -7.321 1.857 1.00 0.00 H new ATOM 0 HA LEU A 132 -2.102 -5.794 0.214 1.00 0.00 H new ATOM 0 HB2 LEU A 132 0.183 -7.027 -0.103 1.00 0.00 H new ATOM 0 HB3 LEU A 132 -0.771 -8.380 -0.679 1.00 0.00 H new ATOM 0 HG LEU A 132 -1.795 -6.424 -2.251 1.00 0.00 H new ATOM 0 HD11 LEU A 132 0.040 -4.997 -3.027 1.00 0.00 H new ATOM 0 HD12 LEU A 132 -0.349 -4.695 -1.317 1.00 0.00 H new ATOM 0 HD13 LEU A 132 1.090 -5.649 -1.747 1.00 0.00 H new ATOM 0 HD21 LEU A 132 -0.279 -7.260 -3.992 1.00 0.00 H new ATOM 0 HD22 LEU A 132 0.755 -7.990 -2.740 1.00 0.00 H new ATOM 0 HD23 LEU A 132 -0.907 -8.582 -2.979 1.00 0.00 H new ATOM 2142 N SER A 133 -3.102 -8.929 -0.010 1.00 0.00 N ATOM 2143 CA SER A 133 -4.207 -9.786 -0.401 1.00 0.00 C ATOM 2144 C SER A 133 -5.379 -9.662 0.561 1.00 0.00 C ATOM 2145 O SER A 133 -6.505 -9.997 0.211 1.00 0.00 O ATOM 2146 CB SER A 133 -3.727 -11.229 -0.491 1.00 0.00 C ATOM 2147 OG SER A 133 -3.602 -11.811 0.795 1.00 0.00 O ATOM 0 H SER A 133 -2.290 -9.431 0.349 1.00 0.00 H new ATOM 0 HA SER A 133 -4.562 -9.466 -1.380 1.00 0.00 H new ATOM 0 HB2 SER A 133 -4.428 -11.811 -1.089 1.00 0.00 H new ATOM 0 HB3 SER A 133 -2.765 -11.263 -1.003 1.00 0.00 H new ATOM 0 HG SER A 133 -2.783 -11.485 1.223 1.00 0.00 H new ATOM 2153 N ALA A 134 -5.115 -9.186 1.770 1.00 0.00 N ATOM 2154 CA ALA A 134 -6.173 -9.012 2.759 1.00 0.00 C ATOM 2155 C ALA A 134 -7.037 -7.805 2.419 1.00 0.00 C ATOM 2156 O ALA A 134 -8.218 -7.757 2.762 1.00 0.00 O ATOM 2157 CB ALA A 134 -5.583 -8.874 4.148 1.00 0.00 C ATOM 0 H ALA A 134 -4.185 -8.915 2.089 1.00 0.00 H new ATOM 0 HA ALA A 134 -6.807 -9.898 2.741 1.00 0.00 H new ATOM 0 HB1 ALA A 134 -6.386 -8.745 4.873 1.00 0.00 H new ATOM 0 HB2 ALA A 134 -5.014 -9.771 4.392 1.00 0.00 H new ATOM 0 HB3 ALA A 134 -4.924 -8.007 4.179 1.00 0.00 H new ATOM 2163 N PHE A 135 -6.436 -6.824 1.756 1.00 0.00 N ATOM 2164 CA PHE A 135 -7.156 -5.627 1.341 1.00 0.00 C ATOM 2165 C PHE A 135 -7.858 -5.903 0.025 1.00 0.00 C ATOM 2166 O PHE A 135 -8.949 -5.403 -0.240 1.00 0.00 O ATOM 2167 CB PHE A 135 -6.189 -4.454 1.182 1.00 0.00 C ATOM 2168 CG PHE A 135 -6.858 -3.130 0.976 1.00 0.00 C ATOM 2169 CD1 PHE A 135 -7.377 -2.418 2.049 1.00 0.00 C ATOM 2170 CD2 PHE A 135 -6.943 -2.583 -0.291 1.00 0.00 C ATOM 2171 CE1 PHE A 135 -7.972 -1.186 1.855 1.00 0.00 C ATOM 2172 CE2 PHE A 135 -7.528 -1.353 -0.492 1.00 0.00 C ATOM 2173 CZ PHE A 135 -8.045 -0.652 0.581 1.00 0.00 C ATOM 0 H PHE A 135 -5.450 -6.834 1.494 1.00 0.00 H new ATOM 0 HA PHE A 135 -7.891 -5.366 2.102 1.00 0.00 H new ATOM 0 HB2 PHE A 135 -5.558 -4.395 2.069 1.00 0.00 H new ATOM 0 HB3 PHE A 135 -5.532 -4.652 0.335 1.00 0.00 H new ATOM 0 HD1 PHE A 135 -7.315 -2.831 3.045 1.00 0.00 H new ATOM 0 HD2 PHE A 135 -6.545 -3.128 -1.134 1.00 0.00 H new ATOM 0 HE1 PHE A 135 -8.378 -0.642 2.695 1.00 0.00 H new ATOM 0 HE2 PHE A 135 -7.583 -0.936 -1.487 1.00 0.00 H new ATOM 0 HZ PHE A 135 -8.506 0.312 0.425 1.00 0.00 H new ATOM 2183 N ILE A 136 -7.210 -6.715 -0.792 1.00 0.00 N ATOM 2184 CA ILE A 136 -7.739 -7.105 -2.079 1.00 0.00 C ATOM 2185 C ILE A 136 -8.920 -8.046 -1.867 1.00 0.00 C ATOM 2186 O ILE A 136 -9.878 -8.063 -2.638 1.00 0.00 O ATOM 2187 CB ILE A 136 -6.634 -7.825 -2.888 1.00 0.00 C ATOM 2188 CG1 ILE A 136 -6.210 -7.005 -4.100 1.00 0.00 C ATOM 2189 CG2 ILE A 136 -7.062 -9.223 -3.294 1.00 0.00 C ATOM 2190 CD1 ILE A 136 -4.861 -6.351 -3.917 1.00 0.00 C ATOM 0 H ILE A 136 -6.300 -7.121 -0.577 1.00 0.00 H new ATOM 0 HA ILE A 136 -8.071 -6.224 -2.628 1.00 0.00 H new ATOM 0 HB ILE A 136 -5.767 -7.924 -2.235 1.00 0.00 H new ATOM 0 HG12 ILE A 136 -6.180 -7.650 -4.978 1.00 0.00 H new ATOM 0 HG13 ILE A 136 -6.959 -6.237 -4.294 1.00 0.00 H new ATOM 0 HG21 ILE A 136 -6.261 -9.699 -3.860 1.00 0.00 H new ATOM 0 HG22 ILE A 136 -7.275 -9.812 -2.402 1.00 0.00 H new ATOM 0 HG23 ILE A 136 -7.958 -9.164 -3.912 1.00 0.00 H new ATOM 0 HD11 ILE A 136 -4.609 -5.780 -4.811 1.00 0.00 H new ATOM 0 HD12 ILE A 136 -4.894 -5.683 -3.057 1.00 0.00 H new ATOM 0 HD13 ILE A 136 -4.104 -7.118 -3.751 1.00 0.00 H new ATOM 2202 N ALA A 137 -8.820 -8.825 -0.795 1.00 0.00 N ATOM 2203 CA ALA A 137 -9.829 -9.807 -0.438 1.00 0.00 C ATOM 2204 C ALA A 137 -10.951 -9.215 0.407 1.00 0.00 C ATOM 2205 O ALA A 137 -12.124 -9.280 0.040 1.00 0.00 O ATOM 2206 CB ALA A 137 -9.162 -10.945 0.319 1.00 0.00 C ATOM 0 H ALA A 137 -8.032 -8.790 -0.149 1.00 0.00 H new ATOM 0 HA ALA A 137 -10.283 -10.169 -1.360 1.00 0.00 H new ATOM 0 HB1 ALA A 137 -9.911 -11.688 0.592 1.00 0.00 H new ATOM 0 HB2 ALA A 137 -8.405 -11.408 -0.314 1.00 0.00 H new ATOM 0 HB3 ALA A 137 -8.692 -10.555 1.222 1.00 0.00 H new ATOM 2212 N ASP A 138 -10.576 -8.637 1.541 1.00 0.00 N ATOM 2213 CA ASP A 138 -11.542 -8.068 2.472 1.00 0.00 C ATOM 2214 C ASP A 138 -11.667 -6.556 2.342 1.00 0.00 C ATOM 2215 O ASP A 138 -12.736 -5.997 2.589 1.00 0.00 O ATOM 2216 CB ASP A 138 -11.144 -8.432 3.897 1.00 0.00 C ATOM 2217 CG ASP A 138 -11.357 -9.902 4.201 1.00 0.00 C ATOM 2218 OD1 ASP A 138 -12.504 -10.283 4.516 1.00 0.00 O ATOM 2219 OD2 ASP A 138 -10.377 -10.672 4.127 1.00 0.00 O ATOM 0 H ASP A 138 -9.604 -8.550 1.839 1.00 0.00 H new ATOM 0 HA ASP A 138 -12.517 -8.489 2.228 1.00 0.00 H new ATOM 0 HB2 ASP A 138 -10.095 -8.180 4.054 1.00 0.00 H new ATOM 0 HB3 ASP A 138 -11.724 -7.831 4.598 1.00 0.00 H new