USER MOD reduce.3.24.130724 H: found=0, std=0, add=491, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 493 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 19 ASN : amide:sc=-0.00991 K(o=0.06,f=-1.5) USER MOD Set 1.2: A 21 MET CE :methyl 176:sc= -0.624 (180deg=-0.539) USER MOD Set 1.3: A 35 HIS : +bothHN:sc= 0.694 K(o=0.06,f=-8.2!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 41:sc= 0.284 USER MOD Single : A 23 LYS NZ :NH3+ 176:sc= 1.2 (180deg=1.13) USER MOD Single : A 28 ASN : amide:sc= -0.178 X(o=-0.18,f=-0.008) USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=-0.0013) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -167:sc= -0.0287 (180deg=-0.203) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 LYS NZ :NH3+ -168:sc= 1.81 (180deg=1.29!) USER MOD Single : A 54 THR OG1 : rot -147:sc= -0.4 USER MOD Single : A 57 MET CE :methyl 151:sc= -1.94 (180deg=-3.59!) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot -154:sc= 0.249 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 81 N VAL A 6 8.203 -8.181 7.172 1.00 0.00 N ATOM 82 CA VAL A 6 7.318 -7.305 6.447 1.00 0.00 C ATOM 83 C VAL A 6 7.140 -7.853 5.035 1.00 0.00 C ATOM 84 O VAL A 6 8.096 -8.332 4.432 1.00 0.00 O ATOM 85 CB VAL A 6 7.897 -5.856 6.384 1.00 0.00 C ATOM 86 CG1 VAL A 6 6.923 -4.900 5.722 1.00 0.00 C ATOM 87 CG2 VAL A 6 8.263 -5.352 7.776 1.00 0.00 C ATOM 0 HA VAL A 6 6.357 -7.261 6.960 1.00 0.00 H new ATOM 0 HB VAL A 6 8.803 -5.895 5.779 1.00 0.00 H new ATOM 0 HG11 VAL A 6 7.357 -3.900 5.694 1.00 0.00 H new ATOM 0 HG12 VAL A 6 6.718 -5.235 4.705 1.00 0.00 H new ATOM 0 HG13 VAL A 6 5.993 -4.877 6.290 1.00 0.00 H new ATOM 0 HG21 VAL A 6 8.664 -4.341 7.703 1.00 0.00 H new ATOM 0 HG22 VAL A 6 7.374 -5.345 8.406 1.00 0.00 H new ATOM 0 HG23 VAL A 6 9.014 -6.009 8.215 1.00 0.00 H new ATOM 97 N ILE A 7 5.948 -7.747 4.501 1.00 0.00 N ATOM 98 CA ILE A 7 5.653 -8.276 3.186 1.00 0.00 C ATOM 99 C ILE A 7 5.332 -7.121 2.247 1.00 0.00 C ATOM 100 O ILE A 7 4.726 -6.123 2.666 1.00 0.00 O ATOM 101 CB ILE A 7 4.440 -9.266 3.237 1.00 0.00 C ATOM 102 CG1 ILE A 7 4.710 -10.392 4.250 1.00 0.00 C ATOM 103 CG2 ILE A 7 4.155 -9.861 1.851 1.00 0.00 C ATOM 104 CD1 ILE A 7 3.562 -11.375 4.410 1.00 0.00 C ATOM 0 H ILE A 7 5.157 -7.295 4.960 1.00 0.00 H new ATOM 0 HA ILE A 7 6.523 -8.824 2.825 1.00 0.00 H new ATOM 0 HB ILE A 7 3.561 -8.705 3.556 1.00 0.00 H new ATOM 0 HG12 ILE A 7 5.601 -10.938 3.940 1.00 0.00 H new ATOM 0 HG13 ILE A 7 4.931 -9.947 5.220 1.00 0.00 H new ATOM 0 HG21 ILE A 7 3.308 -10.545 1.916 1.00 0.00 H new ATOM 0 HG22 ILE A 7 3.921 -9.058 1.152 1.00 0.00 H new ATOM 0 HG23 ILE A 7 5.033 -10.403 1.500 1.00 0.00 H new ATOM 0 HD11 ILE A 7 3.834 -12.136 5.141 1.00 0.00 H new ATOM 0 HD12 ILE A 7 2.673 -10.844 4.752 1.00 0.00 H new ATOM 0 HD13 ILE A 7 3.354 -11.851 3.452 1.00 0.00 H new ATOM 116 N GLU A 8 5.747 -7.241 1.016 1.00 0.00 N ATOM 117 CA GLU A 8 5.479 -6.255 0.010 1.00 0.00 C ATOM 118 C GLU A 8 4.340 -6.713 -0.893 1.00 0.00 C ATOM 119 O GLU A 8 4.388 -7.780 -1.502 1.00 0.00 O ATOM 120 CB GLU A 8 6.744 -5.905 -0.828 1.00 0.00 C ATOM 121 CG GLU A 8 7.511 -7.095 -1.441 1.00 0.00 C ATOM 122 CD GLU A 8 8.373 -7.828 -0.434 1.00 0.00 C ATOM 123 OE1 GLU A 8 7.871 -8.714 0.282 1.00 0.00 O ATOM 124 OE2 GLU A 8 9.556 -7.464 -0.295 1.00 0.00 O ATOM 0 H GLU A 8 6.288 -8.038 0.681 1.00 0.00 H new ATOM 0 HA GLU A 8 5.178 -5.342 0.523 1.00 0.00 H new ATOM 0 HB2 GLU A 8 6.444 -5.238 -1.637 1.00 0.00 H new ATOM 0 HB3 GLU A 8 7.431 -5.346 -0.192 1.00 0.00 H new ATOM 0 HG2 GLU A 8 6.797 -7.794 -1.877 1.00 0.00 H new ATOM 0 HG3 GLU A 8 8.140 -6.734 -2.254 1.00 0.00 H new ATOM 131 N LEU A 9 3.308 -5.922 -0.931 1.00 0.00 N ATOM 132 CA LEU A 9 2.145 -6.185 -1.741 1.00 0.00 C ATOM 133 C LEU A 9 1.955 -5.013 -2.676 1.00 0.00 C ATOM 134 O LEU A 9 2.512 -3.945 -2.442 1.00 0.00 O ATOM 135 CB LEU A 9 0.880 -6.339 -0.865 1.00 0.00 C ATOM 136 CG LEU A 9 0.895 -7.432 0.223 1.00 0.00 C ATOM 137 CD1 LEU A 9 -0.443 -7.471 0.940 1.00 0.00 C ATOM 138 CD2 LEU A 9 1.213 -8.797 -0.374 1.00 0.00 C ATOM 0 H LEU A 9 3.246 -5.059 -0.391 1.00 0.00 H new ATOM 0 HA LEU A 9 2.293 -7.114 -2.292 1.00 0.00 H new ATOM 0 HB2 LEU A 9 0.690 -5.383 -0.378 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.035 -6.534 -1.526 1.00 0.00 H new ATOM 0 HG LEU A 9 1.678 -7.187 0.941 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -0.423 -8.246 1.706 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.634 -6.504 1.406 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -1.234 -7.691 0.223 1.00 0.00 H new ATOM 0 HD21 LEU A 9 1.217 -9.548 0.416 1.00 0.00 H new ATOM 0 HD22 LEU A 9 0.457 -9.055 -1.116 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.193 -8.767 -0.850 1.00 0.00 H new ATOM 150 N GLU A 10 1.218 -5.198 -3.727 1.00 0.00 N ATOM 151 CA GLU A 10 0.922 -4.107 -4.616 1.00 0.00 C ATOM 152 C GLU A 10 -0.526 -3.699 -4.504 1.00 0.00 C ATOM 153 O GLU A 10 -1.379 -4.484 -4.052 1.00 0.00 O ATOM 154 CB GLU A 10 1.268 -4.418 -6.068 1.00 0.00 C ATOM 155 CG GLU A 10 2.752 -4.424 -6.387 1.00 0.00 C ATOM 156 CD GLU A 10 2.999 -4.581 -7.869 1.00 0.00 C ATOM 157 OE1 GLU A 10 2.283 -3.917 -8.660 1.00 0.00 O ATOM 158 OE2 GLU A 10 3.864 -5.366 -8.257 1.00 0.00 O ATOM 0 H GLU A 10 0.808 -6.093 -3.994 1.00 0.00 H new ATOM 0 HA GLU A 10 1.555 -3.276 -4.304 1.00 0.00 H new ATOM 0 HB2 GLU A 10 0.853 -5.393 -6.324 1.00 0.00 H new ATOM 0 HB3 GLU A 10 0.777 -3.685 -6.708 1.00 0.00 H new ATOM 0 HG2 GLU A 10 3.204 -3.496 -6.038 1.00 0.00 H new ATOM 0 HG3 GLU A 10 3.238 -5.237 -5.848 1.00 0.00 H new ATOM 165 N GLY A 11 -0.786 -2.476 -4.865 1.00 0.00 N ATOM 166 CA GLY A 11 -2.113 -1.957 -4.879 1.00 0.00 C ATOM 167 C GLY A 11 -2.180 -0.734 -5.740 1.00 0.00 C ATOM 168 O GLY A 11 -1.148 -0.234 -6.182 1.00 0.00 O ATOM 0 H GLY A 11 -0.073 -1.809 -5.160 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -2.803 -2.713 -5.254 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -2.427 -1.714 -3.864 1.00 0.00 H new ATOM 172 N THR A 12 -3.351 -0.245 -5.954 1.00 0.00 N ATOM 173 CA THR A 12 -3.580 0.914 -6.774 1.00 0.00 C ATOM 174 C THR A 12 -4.219 1.999 -5.916 1.00 0.00 C ATOM 175 O THR A 12 -5.189 1.750 -5.220 1.00 0.00 O ATOM 176 CB THR A 12 -4.519 0.552 -7.930 1.00 0.00 C ATOM 177 OG1 THR A 12 -4.001 -0.615 -8.606 1.00 0.00 O ATOM 178 CG2 THR A 12 -4.625 1.704 -8.925 1.00 0.00 C ATOM 0 H THR A 12 -4.203 -0.643 -5.558 1.00 0.00 H new ATOM 0 HA THR A 12 -2.635 1.271 -7.184 1.00 0.00 H new ATOM 0 HB THR A 12 -5.512 0.350 -7.527 1.00 0.00 H new ATOM 0 HG1 THR A 12 -4.596 -0.855 -9.346 1.00 0.00 H new ATOM 0 HG21 THR A 12 -5.297 1.423 -9.736 1.00 0.00 H new ATOM 0 HG22 THR A 12 -5.016 2.587 -8.419 1.00 0.00 H new ATOM 0 HG23 THR A 12 -3.638 1.926 -9.331 1.00 0.00 H new ATOM 186 N VAL A 13 -3.659 3.172 -5.936 1.00 0.00 N ATOM 187 CA VAL A 13 -4.162 4.251 -5.113 1.00 0.00 C ATOM 188 C VAL A 13 -5.246 5.049 -5.813 1.00 0.00 C ATOM 189 O VAL A 13 -5.098 5.434 -6.971 1.00 0.00 O ATOM 190 CB VAL A 13 -3.028 5.157 -4.569 1.00 0.00 C ATOM 191 CG1 VAL A 13 -2.126 5.585 -5.667 1.00 0.00 C ATOM 192 CG2 VAL A 13 -3.567 6.365 -3.819 1.00 0.00 C ATOM 0 H VAL A 13 -2.852 3.414 -6.511 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.628 3.785 -4.245 1.00 0.00 H new ATOM 0 HB VAL A 13 -2.457 4.562 -3.856 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.337 6.220 -5.263 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -1.681 4.707 -6.135 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -2.696 6.143 -6.410 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.735 6.969 -3.457 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -4.185 6.963 -4.489 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.167 6.030 -2.973 1.00 0.00 H new ATOM 202 N LEU A 14 -6.334 5.266 -5.117 1.00 0.00 N ATOM 203 CA LEU A 14 -7.447 6.005 -5.665 1.00 0.00 C ATOM 204 C LEU A 14 -7.532 7.413 -5.102 1.00 0.00 C ATOM 205 O LEU A 14 -7.879 8.339 -5.817 1.00 0.00 O ATOM 206 CB LEU A 14 -8.799 5.274 -5.475 1.00 0.00 C ATOM 207 CG LEU A 14 -9.066 4.014 -6.336 1.00 0.00 C ATOM 208 CD1 LEU A 14 -8.171 2.845 -5.959 1.00 0.00 C ATOM 209 CD2 LEU A 14 -10.530 3.617 -6.255 1.00 0.00 C ATOM 0 H LEU A 14 -6.474 4.939 -4.161 1.00 0.00 H new ATOM 0 HA LEU A 14 -7.253 6.075 -6.735 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -8.880 4.987 -4.427 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -9.597 5.990 -5.672 1.00 0.00 H new ATOM 0 HG LEU A 14 -8.823 4.275 -7.366 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -8.402 1.990 -6.595 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -7.127 3.127 -6.096 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -8.341 2.578 -4.916 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -10.701 2.730 -6.865 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -10.792 3.400 -5.219 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -11.150 4.435 -6.622 1.00 0.00 H new ATOM 221 N ASP A 15 -7.184 7.579 -3.838 1.00 0.00 N ATOM 222 CA ASP A 15 -7.380 8.872 -3.176 1.00 0.00 C ATOM 223 C ASP A 15 -6.181 9.298 -2.334 1.00 0.00 C ATOM 224 O ASP A 15 -5.356 8.466 -1.908 1.00 0.00 O ATOM 225 CB ASP A 15 -8.671 8.852 -2.354 1.00 0.00 C ATOM 226 CG ASP A 15 -8.945 10.116 -1.570 1.00 0.00 C ATOM 227 OD1 ASP A 15 -8.745 11.217 -2.131 1.00 0.00 O ATOM 228 OD2 ASP A 15 -9.305 10.000 -0.388 1.00 0.00 O ATOM 0 H ASP A 15 -6.771 6.854 -3.252 1.00 0.00 H new ATOM 0 HA ASP A 15 -7.473 9.627 -3.957 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -9.510 8.669 -3.026 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -8.630 8.013 -1.660 1.00 0.00 H new ATOM 233 N THR A 16 -6.112 10.570 -2.109 1.00 0.00 N ATOM 234 CA THR A 16 -5.035 11.233 -1.412 1.00 0.00 C ATOM 235 C THR A 16 -5.446 11.562 0.019 1.00 0.00 C ATOM 236 O THR A 16 -6.395 12.304 0.240 1.00 0.00 O ATOM 237 CB THR A 16 -4.664 12.533 -2.153 1.00 0.00 C ATOM 238 OG1 THR A 16 -5.851 13.307 -2.402 1.00 0.00 O ATOM 239 CG2 THR A 16 -4.008 12.217 -3.470 1.00 0.00 C ATOM 0 H THR A 16 -6.838 11.216 -2.419 1.00 0.00 H new ATOM 0 HA THR A 16 -4.173 10.566 -1.384 1.00 0.00 H new ATOM 0 HB THR A 16 -3.972 13.099 -1.529 1.00 0.00 H new ATOM 0 HG1 THR A 16 -6.433 13.276 -1.614 1.00 0.00 H new ATOM 0 HG21 THR A 16 -3.752 13.145 -3.981 1.00 0.00 H new ATOM 0 HG22 THR A 16 -3.102 11.637 -3.295 1.00 0.00 H new ATOM 0 HG23 THR A 16 -4.694 11.639 -4.089 1.00 0.00 H new ATOM 247 N LEU A 17 -4.722 11.052 0.979 1.00 0.00 N ATOM 248 CA LEU A 17 -5.092 11.252 2.350 1.00 0.00 C ATOM 249 C LEU A 17 -4.108 12.196 3.065 1.00 0.00 C ATOM 250 O LEU A 17 -2.926 12.287 2.698 1.00 0.00 O ATOM 251 CB LEU A 17 -5.187 9.909 3.091 1.00 0.00 C ATOM 252 CG LEU A 17 -6.225 8.890 2.591 1.00 0.00 C ATOM 253 CD1 LEU A 17 -6.234 7.687 3.502 1.00 0.00 C ATOM 254 CD2 LEU A 17 -7.615 9.506 2.512 1.00 0.00 C ATOM 0 H LEU A 17 -3.877 10.498 0.836 1.00 0.00 H new ATOM 0 HA LEU A 17 -6.075 11.723 2.361 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -4.206 9.435 3.054 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -5.400 10.118 4.139 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.945 8.580 1.584 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -6.970 6.966 3.146 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -5.247 7.226 3.505 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -6.492 7.999 4.514 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -8.324 8.759 2.155 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -7.917 9.850 3.501 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -7.600 10.350 1.823 1.00 0.00 H new ATOM 266 N PRO A 18 -4.591 12.954 4.066 1.00 0.00 N ATOM 267 CA PRO A 18 -3.749 13.836 4.883 1.00 0.00 C ATOM 268 C PRO A 18 -2.588 13.086 5.573 1.00 0.00 C ATOM 269 O PRO A 18 -2.666 11.877 5.803 1.00 0.00 O ATOM 270 CB PRO A 18 -4.716 14.383 5.941 1.00 0.00 C ATOM 271 CG PRO A 18 -6.064 14.261 5.330 1.00 0.00 C ATOM 272 CD PRO A 18 -6.016 13.040 4.462 1.00 0.00 C ATOM 0 HA PRO A 18 -3.273 14.604 4.273 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -4.650 13.813 6.868 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -4.487 15.420 6.187 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -6.833 14.164 6.097 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -6.308 15.147 4.744 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -6.337 12.150 5.003 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -6.669 13.138 3.594 1.00 0.00 H new ATOM 280 N ASN A 19 -1.501 13.825 5.849 1.00 0.00 N ATOM 281 CA ASN A 19 -0.300 13.313 6.572 1.00 0.00 C ATOM 282 C ASN A 19 0.544 12.389 5.678 1.00 0.00 C ATOM 283 O ASN A 19 1.319 11.587 6.159 1.00 0.00 O ATOM 284 CB ASN A 19 -0.709 12.615 7.925 1.00 0.00 C ATOM 285 CG ASN A 19 0.464 12.266 8.864 1.00 0.00 C ATOM 286 OD1 ASN A 19 1.041 11.179 8.802 1.00 0.00 O ATOM 287 ND2 ASN A 19 0.808 13.178 9.746 1.00 0.00 N ATOM 0 H ASN A 19 -1.419 14.805 5.579 1.00 0.00 H new ATOM 0 HA ASN A 19 0.328 14.167 6.825 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -1.399 13.269 8.459 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -1.253 11.699 7.693 1.00 0.00 H new ATOM 0 HD21 ASN A 19 1.569 12.994 10.400 1.00 0.00 H new ATOM 0 HD22 ASN A 19 0.314 14.070 9.776 1.00 0.00 H new ATOM 294 N ALA A 20 0.432 12.582 4.361 1.00 0.00 N ATOM 295 CA ALA A 20 1.192 11.795 3.356 1.00 0.00 C ATOM 296 C ALA A 20 0.742 10.335 3.374 1.00 0.00 C ATOM 297 O ALA A 20 1.538 9.398 3.151 1.00 0.00 O ATOM 298 CB ALA A 20 2.707 11.912 3.588 1.00 0.00 C ATOM 0 H ALA A 20 -0.184 13.284 3.951 1.00 0.00 H new ATOM 0 HA ALA A 20 0.981 12.206 2.369 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.236 11.325 2.837 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.007 12.957 3.510 1.00 0.00 H new ATOM 0 HB3 ALA A 20 2.953 11.537 4.581 1.00 0.00 H new ATOM 304 N MET A 21 -0.531 10.157 3.636 1.00 0.00 N ATOM 305 CA MET A 21 -1.153 8.863 3.627 1.00 0.00 C ATOM 306 C MET A 21 -1.923 8.798 2.319 1.00 0.00 C ATOM 307 O MET A 21 -2.162 9.822 1.693 1.00 0.00 O ATOM 308 CB MET A 21 -2.148 8.744 4.786 1.00 0.00 C ATOM 309 CG MET A 21 -2.578 7.326 5.153 1.00 0.00 C ATOM 310 SD MET A 21 -1.339 6.422 6.105 1.00 0.00 S ATOM 311 CE MET A 21 -1.407 7.319 7.660 1.00 0.00 C ATOM 0 H MET A 21 -1.169 10.920 3.864 1.00 0.00 H new ATOM 0 HA MET A 21 -0.416 8.067 3.727 1.00 0.00 H new ATOM 0 HB2 MET A 21 -1.706 9.209 5.668 1.00 0.00 H new ATOM 0 HB3 MET A 21 -3.039 9.320 4.535 1.00 0.00 H new ATOM 0 HG2 MET A 21 -3.503 7.373 5.727 1.00 0.00 H new ATOM 0 HG3 MET A 21 -2.797 6.773 4.239 1.00 0.00 H new ATOM 0 HE1 MET A 21 -0.749 6.840 8.385 1.00 0.00 H new ATOM 0 HE2 MET A 21 -1.084 8.348 7.501 1.00 0.00 H new ATOM 0 HE3 MET A 21 -2.429 7.314 8.039 1.00 0.00 H new ATOM 321 N PHE A 22 -2.292 7.654 1.911 1.00 0.00 N ATOM 322 CA PHE A 22 -3.030 7.479 0.680 1.00 0.00 C ATOM 323 C PHE A 22 -4.024 6.372 0.838 1.00 0.00 C ATOM 324 O PHE A 22 -3.796 5.437 1.626 1.00 0.00 O ATOM 325 CB PHE A 22 -2.088 7.177 -0.511 1.00 0.00 C ATOM 326 CG PHE A 22 -1.211 8.330 -0.918 1.00 0.00 C ATOM 327 CD1 PHE A 22 -1.680 9.293 -1.793 1.00 0.00 C ATOM 328 CD2 PHE A 22 0.071 8.463 -0.413 1.00 0.00 C ATOM 329 CE1 PHE A 22 -0.887 10.362 -2.156 1.00 0.00 C ATOM 330 CE2 PHE A 22 0.863 9.534 -0.772 1.00 0.00 C ATOM 331 CZ PHE A 22 0.385 10.481 -1.644 1.00 0.00 C ATOM 0 H PHE A 22 -2.100 6.786 2.411 1.00 0.00 H new ATOM 0 HA PHE A 22 -3.551 8.412 0.465 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -1.455 6.329 -0.251 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -2.691 6.875 -1.367 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -2.678 9.207 -2.197 1.00 0.00 H new ATOM 0 HD2 PHE A 22 0.456 7.720 0.270 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -1.264 11.106 -2.842 1.00 0.00 H new ATOM 0 HE2 PHE A 22 1.860 9.628 -0.367 1.00 0.00 H new ATOM 0 HZ PHE A 22 1.006 11.318 -1.928 1.00 0.00 H new ATOM 341 N LYS A 23 -5.128 6.477 0.134 1.00 0.00 N ATOM 342 CA LYS A 23 -6.119 5.441 0.143 1.00 0.00 C ATOM 343 C LYS A 23 -5.785 4.540 -1.004 1.00 0.00 C ATOM 344 O LYS A 23 -5.984 4.905 -2.186 1.00 0.00 O ATOM 345 CB LYS A 23 -7.524 6.002 -0.045 1.00 0.00 C ATOM 346 CG LYS A 23 -8.619 4.959 0.130 1.00 0.00 C ATOM 347 CD LYS A 23 -9.985 5.505 -0.241 1.00 0.00 C ATOM 348 CE LYS A 23 -11.088 4.507 0.090 1.00 0.00 C ATOM 349 NZ LYS A 23 -10.913 3.201 -0.586 1.00 0.00 N ATOM 0 H LYS A 23 -5.357 7.278 -0.454 1.00 0.00 H new ATOM 0 HA LYS A 23 -6.111 4.919 1.100 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -7.684 6.809 0.670 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -7.603 6.438 -1.041 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -8.395 4.090 -0.489 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -8.633 4.618 1.165 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -10.163 6.438 0.293 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -10.009 5.738 -1.306 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -11.116 4.350 1.168 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -12.051 4.931 -0.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -11.655 2.544 -0.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -10.982 3.331 -1.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -9.979 2.809 -0.348 1.00 0.00 H new ATOM 363 N VAL A 24 -5.227 3.426 -0.691 1.00 0.00 N ATOM 364 CA VAL A 24 -4.773 2.527 -1.714 1.00 0.00 C ATOM 365 C VAL A 24 -5.568 1.247 -1.672 1.00 0.00 C ATOM 366 O VAL A 24 -5.784 0.685 -0.617 1.00 0.00 O ATOM 367 CB VAL A 24 -3.245 2.220 -1.580 1.00 0.00 C ATOM 368 CG1 VAL A 24 -2.706 1.441 -2.760 1.00 0.00 C ATOM 369 CG2 VAL A 24 -2.430 3.483 -1.328 1.00 0.00 C ATOM 0 H VAL A 24 -5.069 3.106 0.265 1.00 0.00 H new ATOM 0 HA VAL A 24 -4.928 3.015 -2.676 1.00 0.00 H new ATOM 0 HB VAL A 24 -3.137 1.581 -0.703 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.642 1.254 -2.617 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -3.234 0.491 -2.840 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -2.854 2.016 -3.674 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -1.375 3.224 -1.241 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -2.567 4.176 -2.158 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -2.765 3.954 -0.404 1.00 0.00 H new ATOM 379 N GLU A 25 -6.024 0.813 -2.798 1.00 0.00 N ATOM 380 CA GLU A 25 -6.720 -0.418 -2.875 1.00 0.00 C ATOM 381 C GLU A 25 -5.824 -1.499 -3.397 1.00 0.00 C ATOM 382 O GLU A 25 -5.269 -1.392 -4.485 1.00 0.00 O ATOM 383 CB GLU A 25 -8.017 -0.341 -3.685 1.00 0.00 C ATOM 384 CG GLU A 25 -9.236 0.085 -2.877 1.00 0.00 C ATOM 385 CD GLU A 25 -9.287 1.571 -2.475 1.00 0.00 C ATOM 386 OE1 GLU A 25 -8.600 1.984 -1.523 1.00 0.00 O ATOM 387 OE2 GLU A 25 -10.102 2.334 -3.047 1.00 0.00 O ATOM 0 H GLU A 25 -5.923 1.303 -3.687 1.00 0.00 H new ATOM 0 HA GLU A 25 -7.020 -0.663 -1.856 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.877 0.361 -4.507 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -8.213 -1.317 -4.129 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -10.131 -0.147 -3.455 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -9.277 -0.519 -1.971 1.00 0.00 H new ATOM 394 N LEU A 26 -5.651 -2.514 -2.589 1.00 0.00 N ATOM 395 CA LEU A 26 -4.871 -3.693 -2.954 1.00 0.00 C ATOM 396 C LEU A 26 -5.488 -4.388 -4.157 1.00 0.00 C ATOM 397 O LEU A 26 -6.674 -4.199 -4.445 1.00 0.00 O ATOM 398 CB LEU A 26 -4.818 -4.704 -1.793 1.00 0.00 C ATOM 399 CG LEU A 26 -3.990 -4.330 -0.566 1.00 0.00 C ATOM 400 CD1 LEU A 26 -4.172 -5.378 0.521 1.00 0.00 C ATOM 401 CD2 LEU A 26 -2.518 -4.229 -0.937 1.00 0.00 C ATOM 0 H LEU A 26 -6.046 -2.556 -1.650 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.863 -3.352 -3.190 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.840 -4.891 -1.464 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.432 -5.645 -2.185 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.330 -3.363 -0.195 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.578 -5.104 1.393 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.224 -5.433 0.801 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.844 -6.349 0.149 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.938 -3.962 -0.054 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.173 -5.189 -1.321 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.387 -3.464 -1.702 1.00 0.00 H new ATOM 413 N GLU A 27 -4.701 -5.242 -4.794 1.00 0.00 N ATOM 414 CA GLU A 27 -5.119 -6.033 -5.973 1.00 0.00 C ATOM 415 C GLU A 27 -6.419 -6.833 -5.680 1.00 0.00 C ATOM 416 O GLU A 27 -7.195 -7.137 -6.573 1.00 0.00 O ATOM 417 CB GLU A 27 -4.012 -7.046 -6.316 1.00 0.00 C ATOM 418 CG GLU A 27 -2.591 -6.478 -6.406 1.00 0.00 C ATOM 419 CD GLU A 27 -2.380 -5.470 -7.517 1.00 0.00 C ATOM 420 OE1 GLU A 27 -2.027 -5.878 -8.639 1.00 0.00 O ATOM 421 OE2 GLU A 27 -2.483 -4.253 -7.266 1.00 0.00 O ATOM 0 H GLU A 27 -3.736 -5.418 -4.513 1.00 0.00 H new ATOM 0 HA GLU A 27 -5.298 -5.343 -6.797 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -4.021 -7.834 -5.563 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -4.257 -7.514 -7.270 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -2.342 -6.007 -5.455 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.893 -7.303 -6.546 1.00 0.00 H new ATOM 428 N ASN A 28 -6.645 -7.138 -4.401 1.00 0.00 N ATOM 429 CA ASN A 28 -7.791 -7.950 -3.977 1.00 0.00 C ATOM 430 C ASN A 28 -9.005 -7.044 -3.616 1.00 0.00 C ATOM 431 O ASN A 28 -9.969 -7.490 -3.010 1.00 0.00 O ATOM 432 CB ASN A 28 -7.390 -8.805 -2.754 1.00 0.00 C ATOM 433 CG ASN A 28 -8.251 -10.063 -2.548 1.00 0.00 C ATOM 434 OD1 ASN A 28 -7.913 -11.129 -3.028 1.00 0.00 O ATOM 435 ND2 ASN A 28 -9.360 -9.942 -1.864 1.00 0.00 N ATOM 0 H ASN A 28 -6.045 -6.833 -3.634 1.00 0.00 H new ATOM 0 HA ASN A 28 -8.084 -8.602 -4.800 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -6.348 -9.106 -2.863 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -7.451 -8.187 -1.858 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -9.963 -10.752 -1.723 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -9.621 -9.037 -1.472 1.00 0.00 H new ATOM 442 N GLY A 29 -8.920 -5.759 -3.938 1.00 0.00 N ATOM 443 CA GLY A 29 -10.063 -4.864 -3.730 1.00 0.00 C ATOM 444 C GLY A 29 -10.205 -4.341 -2.304 1.00 0.00 C ATOM 445 O GLY A 29 -11.228 -3.778 -1.948 1.00 0.00 O ATOM 0 H GLY A 29 -8.092 -5.316 -4.336 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -9.972 -4.015 -4.408 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -10.977 -5.392 -4.002 1.00 0.00 H new ATOM 449 N HIS A 30 -9.210 -4.553 -1.478 1.00 0.00 N ATOM 450 CA HIS A 30 -9.259 -4.076 -0.125 1.00 0.00 C ATOM 451 C HIS A 30 -8.589 -2.753 -0.072 1.00 0.00 C ATOM 452 O HIS A 30 -7.536 -2.579 -0.658 1.00 0.00 O ATOM 453 CB HIS A 30 -8.501 -5.010 0.788 1.00 0.00 C ATOM 454 CG HIS A 30 -8.647 -4.702 2.281 1.00 0.00 C ATOM 455 ND1 HIS A 30 -7.572 -4.609 3.154 1.00 0.00 N ATOM 456 CD2 HIS A 30 -9.751 -4.445 3.037 1.00 0.00 C ATOM 457 CE1 HIS A 30 -8.008 -4.308 4.361 1.00 0.00 C ATOM 458 NE2 HIS A 30 -9.323 -4.200 4.322 1.00 0.00 N ATOM 0 H HIS A 30 -8.356 -5.054 -1.723 1.00 0.00 H new ATOM 0 HA HIS A 30 -10.300 -4.014 0.193 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -8.841 -6.030 0.606 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -7.444 -4.975 0.525 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -10.774 -4.435 2.691 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -7.391 -4.172 5.237 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -9.924 -3.972 5.114 1.00 0.00 H new ATOM 467 N GLU A 31 -9.120 -1.897 0.696 1.00 0.00 N ATOM 468 CA GLU A 31 -8.570 -0.611 0.848 1.00 0.00 C ATOM 469 C GLU A 31 -7.709 -0.618 2.048 1.00 0.00 C ATOM 470 O GLU A 31 -8.025 -1.263 3.076 1.00 0.00 O ATOM 471 CB GLU A 31 -9.637 0.475 0.927 1.00 0.00 C ATOM 472 CG GLU A 31 -10.665 0.353 2.034 1.00 0.00 C ATOM 473 CD GLU A 31 -11.641 1.498 1.954 1.00 0.00 C ATOM 474 OE1 GLU A 31 -12.378 1.582 0.944 1.00 0.00 O ATOM 475 OE2 GLU A 31 -11.609 2.370 2.822 1.00 0.00 O ATOM 0 H GLU A 31 -9.961 -2.067 1.247 1.00 0.00 H new ATOM 0 HA GLU A 31 -7.977 -0.370 -0.035 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -9.134 1.436 1.036 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -10.167 0.499 -0.025 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -11.195 -0.595 1.947 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -10.169 0.353 3.005 1.00 0.00 H new ATOM 482 N ILE A 32 -6.595 -0.037 1.889 1.00 0.00 N ATOM 483 CA ILE A 32 -5.609 0.044 2.886 1.00 0.00 C ATOM 484 C ILE A 32 -5.145 1.469 2.956 1.00 0.00 C ATOM 485 O ILE A 32 -5.230 2.218 1.968 1.00 0.00 O ATOM 486 CB ILE A 32 -4.393 -0.877 2.557 1.00 0.00 C ATOM 487 CG1 ILE A 32 -3.818 -0.513 1.194 1.00 0.00 C ATOM 488 CG2 ILE A 32 -4.819 -2.338 2.550 1.00 0.00 C ATOM 489 CD1 ILE A 32 -2.512 -1.168 0.868 1.00 0.00 C ATOM 0 H ILE A 32 -6.328 0.420 1.017 1.00 0.00 H new ATOM 0 HA ILE A 32 -6.029 -0.284 3.837 1.00 0.00 H new ATOM 0 HB ILE A 32 -3.633 -0.731 3.325 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -4.544 -0.780 0.426 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -3.688 0.568 1.147 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -3.959 -2.967 2.319 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -5.212 -2.607 3.530 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -5.591 -2.488 1.796 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -2.182 -0.849 -0.121 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.766 -0.882 1.610 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -2.636 -2.251 0.877 1.00 0.00 H new ATOM 501 N LEU A 33 -4.691 1.861 4.080 1.00 0.00 N ATOM 502 CA LEU A 33 -4.183 3.171 4.219 1.00 0.00 C ATOM 503 C LEU A 33 -2.701 3.024 4.192 1.00 0.00 C ATOM 504 O LEU A 33 -2.128 2.286 4.991 1.00 0.00 O ATOM 505 CB LEU A 33 -4.665 3.737 5.547 1.00 0.00 C ATOM 506 CG LEU A 33 -6.186 3.642 5.764 1.00 0.00 C ATOM 507 CD1 LEU A 33 -6.572 4.068 7.162 1.00 0.00 C ATOM 508 CD2 LEU A 33 -6.943 4.468 4.736 1.00 0.00 C ATOM 0 H LEU A 33 -4.659 1.291 4.925 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.514 3.851 3.434 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.161 3.210 6.357 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.366 4.783 5.612 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.463 2.596 5.637 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.653 3.989 7.281 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.079 3.422 7.888 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.264 5.101 7.326 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -8.014 4.380 4.916 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.646 5.513 4.819 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.712 4.103 3.735 1.00 0.00 H new ATOM 520 N ALA A 34 -2.078 3.694 3.301 1.00 0.00 N ATOM 521 CA ALA A 34 -0.670 3.528 3.133 1.00 0.00 C ATOM 522 C ALA A 34 0.037 4.832 3.257 1.00 0.00 C ATOM 523 O ALA A 34 -0.434 5.845 2.769 1.00 0.00 O ATOM 524 CB ALA A 34 -0.377 2.865 1.806 1.00 0.00 C ATOM 0 H ALA A 34 -2.513 4.367 2.670 1.00 0.00 H new ATOM 0 HA ALA A 34 -0.298 2.879 3.926 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.700 2.744 1.690 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -0.858 1.887 1.774 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -0.762 3.485 0.997 1.00 0.00 H new ATOM 530 N HIS A 35 1.150 4.814 3.919 1.00 0.00 N ATOM 531 CA HIS A 35 1.909 6.006 4.135 1.00 0.00 C ATOM 532 C HIS A 35 3.161 5.930 3.293 1.00 0.00 C ATOM 533 O HIS A 35 3.816 4.887 3.239 1.00 0.00 O ATOM 534 CB HIS A 35 2.306 6.105 5.610 1.00 0.00 C ATOM 535 CG HIS A 35 2.656 7.491 6.078 1.00 0.00 C ATOM 536 ND1 HIS A 35 3.829 8.153 5.765 1.00 0.00 N ATOM 537 CD2 HIS A 35 1.964 8.333 6.868 1.00 0.00 C ATOM 538 CE1 HIS A 35 3.826 9.331 6.348 1.00 0.00 C ATOM 539 NE2 HIS A 35 2.708 9.462 7.021 1.00 0.00 N ATOM 0 H HIS A 35 1.559 3.973 4.325 1.00 0.00 H new ATOM 0 HA HIS A 35 1.315 6.879 3.863 1.00 0.00 H new ATOM 0 HB2 HIS A 35 1.484 5.728 6.219 1.00 0.00 H new ATOM 0 HB3 HIS A 35 3.160 5.451 5.787 1.00 0.00 H new ATOM 0 HD1 HIS A 35 4.577 7.786 5.176 1.00 0.00 H new ATOM 0 HD2 HIS A 35 0.993 8.146 7.302 1.00 0.00 H new ATOM 0 HE1 HIS A 35 4.613 10.068 6.284 1.00 0.00 H new ATOM 0 HE2 HIS A 35 2.440 10.278 7.570 1.00 0.00 H new ATOM 548 N VAL A 36 3.505 7.004 2.661 1.00 0.00 N ATOM 549 CA VAL A 36 4.720 7.049 1.875 1.00 0.00 C ATOM 550 C VAL A 36 5.910 7.332 2.768 1.00 0.00 C ATOM 551 O VAL A 36 5.761 7.957 3.837 1.00 0.00 O ATOM 552 CB VAL A 36 4.665 8.053 0.703 1.00 0.00 C ATOM 553 CG1 VAL A 36 3.651 7.601 -0.325 1.00 0.00 C ATOM 554 CG2 VAL A 36 4.350 9.464 1.188 1.00 0.00 C ATOM 0 H VAL A 36 2.968 7.871 2.666 1.00 0.00 H new ATOM 0 HA VAL A 36 4.829 6.065 1.419 1.00 0.00 H new ATOM 0 HB VAL A 36 5.650 8.081 0.237 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.622 8.317 -1.146 1.00 0.00 H new ATOM 0 HG12 VAL A 36 3.934 6.621 -0.708 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.666 7.539 0.138 1.00 0.00 H new ATOM 0 HG21 VAL A 36 4.319 10.143 0.336 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.383 9.469 1.691 1.00 0.00 H new ATOM 0 HG23 VAL A 36 5.122 9.790 1.885 1.00 0.00 H new ATOM 564 N SER A 37 7.050 6.786 2.405 1.00 0.00 N ATOM 565 CA SER A 37 8.261 6.951 3.179 1.00 0.00 C ATOM 566 C SER A 37 8.692 8.422 3.188 1.00 0.00 C ATOM 567 O SER A 37 8.262 9.222 2.331 1.00 0.00 O ATOM 568 CB SER A 37 9.397 6.090 2.604 1.00 0.00 C ATOM 569 OG SER A 37 9.891 6.630 1.378 1.00 0.00 O ATOM 0 H SER A 37 7.164 6.216 1.567 1.00 0.00 H new ATOM 0 HA SER A 37 8.054 6.629 4.199 1.00 0.00 H new ATOM 0 HB2 SER A 37 10.209 6.026 3.328 1.00 0.00 H new ATOM 0 HB3 SER A 37 9.037 5.075 2.437 1.00 0.00 H new ATOM 0 HG SER A 37 10.613 6.062 1.038 1.00 0.00 H new ATOM 575 N GLY A 38 9.526 8.773 4.159 1.00 0.00 N ATOM 576 CA GLY A 38 10.044 10.122 4.277 1.00 0.00 C ATOM 577 C GLY A 38 10.743 10.621 3.014 1.00 0.00 C ATOM 578 O GLY A 38 10.790 11.817 2.783 1.00 0.00 O ATOM 0 H GLY A 38 9.858 8.133 4.880 1.00 0.00 H new ATOM 0 HA2 GLY A 38 9.223 10.797 4.519 1.00 0.00 H new ATOM 0 HA3 GLY A 38 10.746 10.161 5.110 1.00 0.00 H new ATOM 582 N LYS A 39 11.232 9.700 2.164 1.00 0.00 N ATOM 583 CA LYS A 39 11.936 10.112 0.949 1.00 0.00 C ATOM 584 C LYS A 39 10.946 10.698 -0.034 1.00 0.00 C ATOM 585 O LYS A 39 11.209 11.703 -0.686 1.00 0.00 O ATOM 586 CB LYS A 39 12.711 8.946 0.276 1.00 0.00 C ATOM 587 CG LYS A 39 13.963 8.435 1.016 1.00 0.00 C ATOM 588 CD LYS A 39 13.645 7.679 2.304 1.00 0.00 C ATOM 589 CE LYS A 39 14.923 7.193 2.996 1.00 0.00 C ATOM 590 NZ LYS A 39 15.722 6.268 2.136 1.00 0.00 N ATOM 0 H LYS A 39 11.153 8.692 2.295 1.00 0.00 H new ATOM 0 HA LYS A 39 12.674 10.859 1.242 1.00 0.00 H new ATOM 0 HB2 LYS A 39 12.025 8.109 0.148 1.00 0.00 H new ATOM 0 HB3 LYS A 39 13.011 9.267 -0.721 1.00 0.00 H new ATOM 0 HG2 LYS A 39 14.527 7.781 0.350 1.00 0.00 H new ATOM 0 HG3 LYS A 39 14.607 9.282 1.251 1.00 0.00 H new ATOM 0 HD2 LYS A 39 13.087 8.327 2.980 1.00 0.00 H new ATOM 0 HD3 LYS A 39 13.004 6.826 2.079 1.00 0.00 H new ATOM 0 HE2 LYS A 39 15.536 8.053 3.266 1.00 0.00 H new ATOM 0 HE3 LYS A 39 14.660 6.685 3.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 16.448 5.798 2.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 15.094 5.552 1.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 16.181 6.810 1.376 1.00 0.00 H new ATOM 604 N ILE A 40 9.791 10.096 -0.074 1.00 0.00 N ATOM 605 CA ILE A 40 8.743 10.499 -0.966 1.00 0.00 C ATOM 606 C ILE A 40 8.039 11.740 -0.421 1.00 0.00 C ATOM 607 O ILE A 40 7.627 12.602 -1.172 1.00 0.00 O ATOM 608 CB ILE A 40 7.738 9.331 -1.171 1.00 0.00 C ATOM 609 CG1 ILE A 40 8.452 8.140 -1.830 1.00 0.00 C ATOM 610 CG2 ILE A 40 6.549 9.769 -2.014 1.00 0.00 C ATOM 611 CD1 ILE A 40 7.615 6.878 -1.917 1.00 0.00 C ATOM 0 H ILE A 40 9.549 9.302 0.519 1.00 0.00 H new ATOM 0 HA ILE A 40 9.174 10.751 -1.935 1.00 0.00 H new ATOM 0 HB ILE A 40 7.360 9.028 -0.195 1.00 0.00 H new ATOM 0 HG12 ILE A 40 8.760 8.427 -2.835 1.00 0.00 H new ATOM 0 HG13 ILE A 40 9.361 7.921 -1.269 1.00 0.00 H new ATOM 0 HG21 ILE A 40 5.864 8.931 -2.140 1.00 0.00 H new ATOM 0 HG22 ILE A 40 6.032 10.589 -1.515 1.00 0.00 H new ATOM 0 HG23 ILE A 40 6.899 10.102 -2.991 1.00 0.00 H new ATOM 0 HD11 ILE A 40 8.195 6.089 -2.395 1.00 0.00 H new ATOM 0 HD12 ILE A 40 7.329 6.561 -0.914 1.00 0.00 H new ATOM 0 HD13 ILE A 40 6.719 7.076 -2.505 1.00 0.00 H new ATOM 623 N ARG A 41 7.943 11.835 0.897 1.00 0.00 N ATOM 624 CA ARG A 41 7.294 12.976 1.528 1.00 0.00 C ATOM 625 C ARG A 41 8.148 14.245 1.292 1.00 0.00 C ATOM 626 O ARG A 41 7.609 15.341 1.061 1.00 0.00 O ATOM 627 CB ARG A 41 7.118 12.716 3.051 1.00 0.00 C ATOM 628 CG ARG A 41 5.956 13.490 3.720 1.00 0.00 C ATOM 629 CD ARG A 41 6.143 15.009 3.753 1.00 0.00 C ATOM 630 NE ARG A 41 7.160 15.446 4.731 1.00 0.00 N ATOM 631 CZ ARG A 41 8.081 16.413 4.515 1.00 0.00 C ATOM 632 NH1 ARG A 41 8.317 16.865 3.279 1.00 0.00 N ATOM 633 NH2 ARG A 41 8.800 16.886 5.539 1.00 0.00 N ATOM 0 H ARG A 41 8.305 11.139 1.549 1.00 0.00 H new ATOM 0 HA ARG A 41 6.307 13.122 1.089 1.00 0.00 H new ATOM 0 HB2 ARG A 41 6.959 11.649 3.206 1.00 0.00 H new ATOM 0 HB3 ARG A 41 8.047 12.977 3.558 1.00 0.00 H new ATOM 0 HG2 ARG A 41 5.031 13.262 3.190 1.00 0.00 H new ATOM 0 HG3 ARG A 41 5.836 13.129 4.741 1.00 0.00 H new ATOM 0 HD2 ARG A 41 6.430 15.356 2.760 1.00 0.00 H new ATOM 0 HD3 ARG A 41 5.190 15.481 3.993 1.00 0.00 H new ATOM 0 HE ARG A 41 7.169 14.983 5.640 1.00 0.00 H new ATOM 0 HH11 ARG A 41 7.800 16.480 2.488 1.00 0.00 H new ATOM 0 HH12 ARG A 41 9.014 17.594 3.127 1.00 0.00 H new ATOM 0 HH21 ARG A 41 8.653 16.518 6.479 1.00 0.00 H new ATOM 0 HH22 ARG A 41 9.495 17.615 5.380 1.00 0.00 H new ATOM 647 N MET A 42 9.469 14.092 1.364 1.00 0.00 N ATOM 648 CA MET A 42 10.395 15.222 1.190 1.00 0.00 C ATOM 649 C MET A 42 10.505 15.642 -0.262 1.00 0.00 C ATOM 650 O MET A 42 10.443 16.828 -0.582 1.00 0.00 O ATOM 651 CB MET A 42 11.813 14.884 1.693 1.00 0.00 C ATOM 652 CG MET A 42 11.971 14.686 3.194 1.00 0.00 C ATOM 653 SD MET A 42 11.615 16.169 4.164 1.00 0.00 S ATOM 654 CE MET A 42 12.079 15.592 5.799 1.00 0.00 C ATOM 0 H MET A 42 9.927 13.198 1.541 1.00 0.00 H new ATOM 0 HA MET A 42 9.978 16.038 1.780 1.00 0.00 H new ATOM 0 HB2 MET A 42 12.145 13.975 1.192 1.00 0.00 H new ATOM 0 HB3 MET A 42 12.485 15.683 1.382 1.00 0.00 H new ATOM 0 HG2 MET A 42 11.308 13.883 3.517 1.00 0.00 H new ATOM 0 HG3 MET A 42 12.990 14.362 3.403 1.00 0.00 H new ATOM 0 HE1 MET A 42 11.921 16.390 6.525 1.00 0.00 H new ATOM 0 HE2 MET A 42 11.468 14.730 6.068 1.00 0.00 H new ATOM 0 HE3 MET A 42 13.131 15.305 5.799 1.00 0.00 H new ATOM 664 N ASN A 43 10.641 14.675 -1.133 1.00 0.00 N ATOM 665 CA ASN A 43 10.901 14.951 -2.529 1.00 0.00 C ATOM 666 C ASN A 43 9.570 15.070 -3.310 1.00 0.00 C ATOM 667 O ASN A 43 8.489 15.035 -2.719 1.00 0.00 O ATOM 668 CB ASN A 43 11.819 13.843 -3.097 1.00 0.00 C ATOM 669 CG ASN A 43 12.477 14.191 -4.426 1.00 0.00 C ATOM 670 OD1 ASN A 43 11.921 13.959 -5.488 1.00 0.00 O ATOM 671 ND2 ASN A 43 13.665 14.738 -4.370 1.00 0.00 N ATOM 0 H ASN A 43 10.576 13.684 -0.902 1.00 0.00 H new ATOM 0 HA ASN A 43 11.415 15.906 -2.636 1.00 0.00 H new ATOM 0 HB2 ASN A 43 12.598 13.623 -2.367 1.00 0.00 H new ATOM 0 HB3 ASN A 43 11.234 12.932 -3.223 1.00 0.00 H new ATOM 0 HD21 ASN A 43 14.154 14.984 -5.231 1.00 0.00 H new ATOM 0 HD22 ASN A 43 14.101 14.918 -3.466 1.00 0.00 H new ATOM 761 N LEU A 48 0.388 9.731 -7.001 1.00 0.00 N ATOM 762 CA LEU A 48 -0.847 10.325 -7.463 1.00 0.00 C ATOM 763 C LEU A 48 -1.886 9.261 -7.745 1.00 0.00 C ATOM 764 O LEU A 48 -1.538 8.162 -8.140 1.00 0.00 O ATOM 765 CB LEU A 48 -0.662 11.236 -8.690 1.00 0.00 C ATOM 766 CG LEU A 48 -0.297 12.702 -8.403 1.00 0.00 C ATOM 767 CD1 LEU A 48 1.081 12.843 -7.769 1.00 0.00 C ATOM 768 CD2 LEU A 48 -0.399 13.538 -9.667 1.00 0.00 C ATOM 0 HA LEU A 48 -1.199 10.963 -6.652 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.117 10.807 -9.320 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.585 11.221 -9.269 1.00 0.00 H new ATOM 0 HG LEU A 48 -1.019 13.076 -7.677 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.291 13.897 -7.586 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.104 12.299 -6.825 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.835 12.434 -8.442 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.137 14.572 -9.442 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.286 13.146 -10.419 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.419 13.498 -10.049 1.00 0.00 H new ATOM 780 N PRO A 49 -3.164 9.526 -7.402 1.00 0.00 N ATOM 781 CA PRO A 49 -4.276 8.611 -7.697 1.00 0.00 C ATOM 782 C PRO A 49 -4.157 8.025 -9.115 1.00 0.00 C ATOM 783 O PRO A 49 -4.034 8.763 -10.099 1.00 0.00 O ATOM 784 CB PRO A 49 -5.491 9.526 -7.600 1.00 0.00 C ATOM 785 CG PRO A 49 -5.110 10.540 -6.583 1.00 0.00 C ATOM 786 CD PRO A 49 -3.631 10.752 -6.734 1.00 0.00 C ATOM 0 HA PRO A 49 -4.313 7.752 -7.027 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -5.716 9.991 -8.560 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -6.381 8.974 -7.297 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -5.654 11.471 -6.739 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -5.353 10.194 -5.578 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.413 11.639 -7.329 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -3.146 10.890 -5.767 1.00 0.00 H new ATOM 794 N GLY A 50 -4.217 6.721 -9.200 1.00 0.00 N ATOM 795 CA GLY A 50 -3.990 6.033 -10.441 1.00 0.00 C ATOM 796 C GLY A 50 -2.656 5.299 -10.438 1.00 0.00 C ATOM 797 O GLY A 50 -2.446 4.397 -11.249 1.00 0.00 O ATOM 0 H GLY A 50 -4.424 6.108 -8.411 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -4.797 5.322 -10.616 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -4.011 6.748 -11.263 1.00 0.00 H new ATOM 801 N ASP A 51 -1.763 5.682 -9.523 1.00 0.00 N ATOM 802 CA ASP A 51 -0.479 4.980 -9.347 1.00 0.00 C ATOM 803 C ASP A 51 -0.702 3.598 -8.801 1.00 0.00 C ATOM 804 O ASP A 51 -1.613 3.361 -7.974 1.00 0.00 O ATOM 805 CB ASP A 51 0.474 5.693 -8.358 1.00 0.00 C ATOM 806 CG ASP A 51 1.477 6.660 -8.962 1.00 0.00 C ATOM 807 OD1 ASP A 51 2.576 6.218 -9.378 1.00 0.00 O ATOM 808 OD2 ASP A 51 1.243 7.889 -8.933 1.00 0.00 O ATOM 0 H ASP A 51 -1.900 6.471 -8.892 1.00 0.00 H new ATOM 0 HA ASP A 51 -0.026 4.961 -10.338 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -0.131 6.238 -7.633 1.00 0.00 H new ATOM 0 HB3 ASP A 51 1.024 4.932 -7.805 1.00 0.00 H new ATOM 813 N LYS A 52 0.110 2.698 -9.233 1.00 0.00 N ATOM 814 CA LYS A 52 0.119 1.378 -8.706 1.00 0.00 C ATOM 815 C LYS A 52 1.346 1.366 -7.827 1.00 0.00 C ATOM 816 O LYS A 52 2.387 1.795 -8.258 1.00 0.00 O ATOM 817 CB LYS A 52 0.245 0.360 -9.844 1.00 0.00 C ATOM 818 CG LYS A 52 -0.182 -1.052 -9.476 1.00 0.00 C ATOM 819 CD LYS A 52 0.022 -2.008 -10.644 1.00 0.00 C ATOM 820 CE LYS A 52 -0.669 -3.346 -10.409 1.00 0.00 C ATOM 821 NZ LYS A 52 -0.277 -3.974 -9.146 1.00 0.00 N ATOM 0 H LYS A 52 0.795 2.859 -9.971 1.00 0.00 H new ATOM 0 HA LYS A 52 -0.789 1.116 -8.163 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -0.356 0.700 -10.687 1.00 0.00 H new ATOM 0 HB3 LYS A 52 1.281 0.337 -10.181 1.00 0.00 H new ATOM 0 HG2 LYS A 52 0.392 -1.396 -8.616 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.231 -1.053 -9.180 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -0.365 -1.555 -11.556 1.00 0.00 H new ATOM 0 HD3 LYS A 52 1.089 -2.172 -10.797 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -1.749 -3.198 -10.416 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.434 -4.020 -11.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -0.611 -4.959 -9.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 0.759 -3.958 -9.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -0.700 -3.452 -8.353 1.00 0.00 H new ATOM 835 N VAL A 53 1.237 0.957 -6.606 1.00 0.00 N ATOM 836 CA VAL A 53 2.363 1.087 -5.697 1.00 0.00 C ATOM 837 C VAL A 53 2.692 -0.189 -4.978 1.00 0.00 C ATOM 838 O VAL A 53 1.847 -1.082 -4.845 1.00 0.00 O ATOM 839 CB VAL A 53 2.144 2.212 -4.643 1.00 0.00 C ATOM 840 CG1 VAL A 53 2.061 3.575 -5.304 1.00 0.00 C ATOM 841 CG2 VAL A 53 0.886 1.949 -3.817 1.00 0.00 C ATOM 0 H VAL A 53 0.400 0.534 -6.205 1.00 0.00 H new ATOM 0 HA VAL A 53 3.205 1.349 -6.338 1.00 0.00 H new ATOM 0 HB VAL A 53 3.005 2.208 -3.975 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.908 4.340 -4.543 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.989 3.777 -5.840 1.00 0.00 H new ATOM 0 HG13 VAL A 53 1.227 3.589 -6.005 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.755 2.749 -3.088 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.019 1.914 -4.476 1.00 0.00 H new ATOM 0 HG23 VAL A 53 0.985 0.996 -3.296 1.00 0.00 H new ATOM 851 N THR A 54 3.917 -0.265 -4.523 1.00 0.00 N ATOM 852 CA THR A 54 4.378 -1.343 -3.727 1.00 0.00 C ATOM 853 C THR A 54 4.271 -0.907 -2.267 1.00 0.00 C ATOM 854 O THR A 54 4.951 0.065 -1.814 1.00 0.00 O ATOM 855 CB THR A 54 5.840 -1.668 -4.062 1.00 0.00 C ATOM 856 OG1 THR A 54 5.977 -1.786 -5.487 1.00 0.00 O ATOM 857 CG2 THR A 54 6.268 -2.976 -3.409 1.00 0.00 C ATOM 0 H THR A 54 4.627 0.443 -4.707 1.00 0.00 H new ATOM 0 HA THR A 54 3.782 -2.236 -3.915 1.00 0.00 H new ATOM 0 HB THR A 54 6.474 -0.866 -3.683 1.00 0.00 H new ATOM 0 HG1 THR A 54 6.662 -2.455 -5.695 1.00 0.00 H new ATOM 0 HG21 THR A 54 7.308 -3.185 -3.661 1.00 0.00 H new ATOM 0 HG22 THR A 54 6.166 -2.893 -2.327 1.00 0.00 H new ATOM 0 HG23 THR A 54 5.637 -3.787 -3.771 1.00 0.00 H new ATOM 865 N VAL A 55 3.424 -1.583 -1.555 1.00 0.00 N ATOM 866 CA VAL A 55 3.139 -1.275 -0.204 1.00 0.00 C ATOM 867 C VAL A 55 3.661 -2.383 0.700 1.00 0.00 C ATOM 868 O VAL A 55 3.416 -3.565 0.470 1.00 0.00 O ATOM 869 CB VAL A 55 1.603 -1.040 0.013 1.00 0.00 C ATOM 870 CG1 VAL A 55 0.759 -2.296 -0.244 1.00 0.00 C ATOM 871 CG2 VAL A 55 1.335 -0.491 1.384 1.00 0.00 C ATOM 0 H VAL A 55 2.903 -2.383 -1.914 1.00 0.00 H new ATOM 0 HA VAL A 55 3.646 -0.346 0.056 1.00 0.00 H new ATOM 0 HB VAL A 55 1.297 -0.304 -0.730 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.294 -2.067 -0.077 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.900 -2.625 -1.274 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.070 -3.089 0.436 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.264 -0.336 1.511 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.691 -1.197 2.135 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.855 0.459 1.504 1.00 0.00 H new ATOM 881 N GLU A 56 4.421 -2.011 1.671 1.00 0.00 N ATOM 882 CA GLU A 56 4.924 -2.955 2.612 1.00 0.00 C ATOM 883 C GLU A 56 4.092 -2.925 3.848 1.00 0.00 C ATOM 884 O GLU A 56 3.836 -1.859 4.406 1.00 0.00 O ATOM 885 CB GLU A 56 6.383 -2.712 2.909 1.00 0.00 C ATOM 886 CG GLU A 56 7.236 -2.901 1.693 1.00 0.00 C ATOM 887 CD GLU A 56 8.700 -2.903 1.990 1.00 0.00 C ATOM 888 OE1 GLU A 56 9.202 -3.900 2.529 1.00 0.00 O ATOM 889 OE2 GLU A 56 9.355 -1.876 1.727 1.00 0.00 O ATOM 0 H GLU A 56 4.712 -1.047 1.836 1.00 0.00 H new ATOM 0 HA GLU A 56 4.858 -3.953 2.179 1.00 0.00 H new ATOM 0 HB2 GLU A 56 6.513 -1.699 3.290 1.00 0.00 H new ATOM 0 HB3 GLU A 56 6.713 -3.393 3.694 1.00 0.00 H new ATOM 0 HG2 GLU A 56 6.969 -3.843 1.214 1.00 0.00 H new ATOM 0 HG3 GLU A 56 7.019 -2.107 0.979 1.00 0.00 H new ATOM 896 N MET A 57 3.641 -4.068 4.245 1.00 0.00 N ATOM 897 CA MET A 57 2.771 -4.202 5.377 1.00 0.00 C ATOM 898 C MET A 57 3.069 -5.435 6.170 1.00 0.00 C ATOM 899 O MET A 57 3.636 -6.406 5.652 1.00 0.00 O ATOM 900 CB MET A 57 1.300 -4.158 4.967 1.00 0.00 C ATOM 901 CG MET A 57 0.939 -4.961 3.731 1.00 0.00 C ATOM 902 SD MET A 57 -0.836 -4.949 3.410 1.00 0.00 S ATOM 903 CE MET A 57 -1.204 -3.206 3.574 1.00 0.00 C ATOM 0 H MET A 57 3.867 -4.952 3.789 1.00 0.00 H new ATOM 0 HA MET A 57 2.963 -3.344 6.022 1.00 0.00 H new ATOM 0 HB2 MET A 57 0.698 -4.519 5.801 1.00 0.00 H new ATOM 0 HB3 MET A 57 1.020 -3.118 4.798 1.00 0.00 H new ATOM 0 HG2 MET A 57 1.466 -4.554 2.868 1.00 0.00 H new ATOM 0 HG3 MET A 57 1.278 -5.990 3.855 1.00 0.00 H new ATOM 0 HE1 MET A 57 -2.055 -2.953 2.942 1.00 0.00 H new ATOM 0 HE2 MET A 57 -1.444 -2.981 4.613 1.00 0.00 H new ATOM 0 HE3 MET A 57 -0.337 -2.621 3.267 1.00 0.00 H new ATOM 913 N SER A 58 2.726 -5.379 7.424 1.00 0.00 N ATOM 914 CA SER A 58 2.923 -6.468 8.327 1.00 0.00 C ATOM 915 C SER A 58 1.856 -7.541 8.052 1.00 0.00 C ATOM 916 O SER A 58 0.720 -7.195 7.731 1.00 0.00 O ATOM 917 CB SER A 58 2.778 -5.933 9.751 1.00 0.00 C ATOM 918 OG SER A 58 3.592 -4.785 9.930 1.00 0.00 O ATOM 0 H SER A 58 2.294 -4.560 7.852 1.00 0.00 H new ATOM 0 HA SER A 58 3.911 -6.910 8.198 1.00 0.00 H new ATOM 0 HB2 SER A 58 1.736 -5.683 9.949 1.00 0.00 H new ATOM 0 HB3 SER A 58 3.062 -6.704 10.467 1.00 0.00 H new ATOM 0 HG SER A 58 3.489 -4.451 10.845 1.00 0.00 H new ATOM 924 N PRO A 59 2.190 -8.849 8.194 1.00 0.00 N ATOM 925 CA PRO A 59 1.233 -9.960 7.940 1.00 0.00 C ATOM 926 C PRO A 59 0.074 -9.959 8.940 1.00 0.00 C ATOM 927 O PRO A 59 -0.938 -10.604 8.741 1.00 0.00 O ATOM 928 CB PRO A 59 2.085 -11.227 8.138 1.00 0.00 C ATOM 929 CG PRO A 59 3.503 -10.770 8.080 1.00 0.00 C ATOM 930 CD PRO A 59 3.516 -9.361 8.585 1.00 0.00 C ATOM 0 HA PRO A 59 0.778 -9.882 6.953 1.00 0.00 H new ATOM 0 HB2 PRO A 59 1.865 -11.702 9.094 1.00 0.00 H new ATOM 0 HB3 PRO A 59 1.878 -11.964 7.361 1.00 0.00 H new ATOM 0 HG2 PRO A 59 4.141 -11.407 8.692 1.00 0.00 H new ATOM 0 HG3 PRO A 59 3.886 -10.820 7.061 1.00 0.00 H new ATOM 0 HD2 PRO A 59 3.660 -9.322 9.665 1.00 0.00 H new ATOM 0 HD3 PRO A 59 4.321 -8.780 8.135 1.00 0.00 H new ATOM 938 N TYR A 60 0.256 -9.218 10.002 1.00 0.00 N ATOM 939 CA TYR A 60 -0.721 -9.092 11.059 1.00 0.00 C ATOM 940 C TYR A 60 -1.581 -7.834 10.830 1.00 0.00 C ATOM 941 O TYR A 60 -2.477 -7.535 11.603 1.00 0.00 O ATOM 942 CB TYR A 60 0.039 -9.029 12.417 1.00 0.00 C ATOM 943 CG TYR A 60 -0.816 -8.846 13.666 1.00 0.00 C ATOM 944 CD1 TYR A 60 -1.581 -9.888 14.175 1.00 0.00 C ATOM 945 CD2 TYR A 60 -0.855 -7.620 14.328 1.00 0.00 C ATOM 946 CE1 TYR A 60 -2.361 -9.713 15.307 1.00 0.00 C ATOM 947 CE2 TYR A 60 -1.629 -7.440 15.456 1.00 0.00 C ATOM 948 CZ TYR A 60 -2.379 -8.487 15.942 1.00 0.00 C ATOM 949 OH TYR A 60 -3.154 -8.309 17.068 1.00 0.00 O ATOM 0 H TYR A 60 1.103 -8.673 10.162 1.00 0.00 H new ATOM 0 HA TYR A 60 -1.395 -9.948 11.068 1.00 0.00 H new ATOM 0 HB2 TYR A 60 0.615 -9.948 12.529 1.00 0.00 H new ATOM 0 HB3 TYR A 60 0.755 -8.208 12.370 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -1.568 -10.848 13.681 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -0.268 -6.795 13.951 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -2.952 -10.532 15.691 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -1.646 -6.482 15.955 1.00 0.00 H new ATOM 0 HH TYR A 60 -3.053 -7.390 17.393 1.00 0.00 H new ATOM 959 N ASP A 61 -1.321 -7.120 9.749 1.00 0.00 N ATOM 960 CA ASP A 61 -2.029 -5.874 9.532 1.00 0.00 C ATOM 961 C ASP A 61 -2.909 -5.928 8.276 1.00 0.00 C ATOM 962 O ASP A 61 -4.112 -6.145 8.362 1.00 0.00 O ATOM 963 CB ASP A 61 -1.054 -4.683 9.456 1.00 0.00 C ATOM 964 CG ASP A 61 -1.768 -3.378 9.575 1.00 0.00 C ATOM 965 OD1 ASP A 61 -2.409 -2.976 8.625 1.00 0.00 O ATOM 966 OD2 ASP A 61 -1.710 -2.748 10.642 1.00 0.00 O ATOM 0 H ASP A 61 -0.645 -7.372 9.028 1.00 0.00 H new ATOM 0 HA ASP A 61 -2.684 -5.728 10.391 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -0.314 -4.767 10.252 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -0.511 -4.716 8.511 1.00 0.00 H new ATOM 971 N LEU A 62 -2.279 -5.740 7.109 1.00 0.00 N ATOM 972 CA LEU A 62 -2.959 -5.710 5.794 1.00 0.00 C ATOM 973 C LEU A 62 -4.058 -4.644 5.655 1.00 0.00 C ATOM 974 O LEU A 62 -4.897 -4.710 4.729 1.00 0.00 O ATOM 975 CB LEU A 62 -3.443 -7.092 5.304 1.00 0.00 C ATOM 976 CG LEU A 62 -2.391 -7.977 4.598 1.00 0.00 C ATOM 977 CD1 LEU A 62 -1.289 -8.420 5.542 1.00 0.00 C ATOM 978 CD2 LEU A 62 -3.051 -9.179 3.944 1.00 0.00 C ATOM 0 H LEU A 62 -1.270 -5.602 7.044 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.161 -5.399 5.120 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.832 -7.642 6.161 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.276 -6.939 4.618 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.927 -7.367 3.823 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.574 -9.039 5.001 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.780 -7.544 5.943 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.721 -8.996 6.361 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.292 -9.788 3.453 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.558 -9.774 4.704 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.777 -8.839 3.205 1.00 0.00 H new ATOM 990 N THR A 63 -4.046 -3.658 6.517 1.00 0.00 N ATOM 991 CA THR A 63 -4.965 -2.567 6.400 1.00 0.00 C ATOM 992 C THR A 63 -4.226 -1.208 6.420 1.00 0.00 C ATOM 993 O THR A 63 -4.794 -0.165 6.064 1.00 0.00 O ATOM 994 CB THR A 63 -6.144 -2.661 7.425 1.00 0.00 C ATOM 995 OG1 THR A 63 -7.043 -1.551 7.289 1.00 0.00 O ATOM 996 CG2 THR A 63 -5.663 -2.776 8.857 1.00 0.00 C ATOM 0 H THR A 63 -3.405 -3.594 7.308 1.00 0.00 H new ATOM 0 HA THR A 63 -5.443 -2.640 5.423 1.00 0.00 H new ATOM 0 HB THR A 63 -6.682 -3.579 7.188 1.00 0.00 H new ATOM 0 HG1 THR A 63 -7.770 -1.637 7.941 1.00 0.00 H new ATOM 0 HG21 THR A 63 -6.522 -2.838 9.525 1.00 0.00 H new ATOM 0 HG22 THR A 63 -5.053 -3.673 8.965 1.00 0.00 H new ATOM 0 HG23 THR A 63 -5.067 -1.900 9.112 1.00 0.00 H new ATOM 1004 N ARG A 64 -2.982 -1.237 6.849 1.00 0.00 N ATOM 1005 CA ARG A 64 -2.062 -0.122 6.828 1.00 0.00 C ATOM 1006 C ARG A 64 -0.798 -0.578 6.156 1.00 0.00 C ATOM 1007 O ARG A 64 -0.408 -1.736 6.301 1.00 0.00 O ATOM 1008 CB ARG A 64 -1.690 0.374 8.238 1.00 0.00 C ATOM 1009 CG ARG A 64 -2.713 1.255 8.951 1.00 0.00 C ATOM 1010 CD ARG A 64 -3.931 0.486 9.420 1.00 0.00 C ATOM 1011 NE ARG A 64 -3.566 -0.615 10.320 1.00 0.00 N ATOM 1012 CZ ARG A 64 -4.179 -0.948 11.456 1.00 0.00 C ATOM 1013 NH1 ARG A 64 -5.240 -0.251 11.895 1.00 0.00 N ATOM 1014 NH2 ARG A 64 -3.729 -1.988 12.141 1.00 0.00 N ATOM 0 H ARG A 64 -2.565 -2.081 7.241 1.00 0.00 H new ATOM 0 HA ARG A 64 -2.549 0.699 6.302 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -1.497 -0.497 8.864 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -0.755 0.929 8.167 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -2.239 1.732 9.809 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -3.030 2.052 8.278 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -4.614 1.164 9.933 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -4.465 0.088 8.557 1.00 0.00 H new ATOM 0 HE ARG A 64 -2.763 -1.182 10.049 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -5.586 0.544 11.357 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -5.700 -0.517 12.766 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -2.928 -2.517 11.797 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -4.183 -2.260 13.013 1.00 0.00 H new ATOM 1028 N GLY A 65 -0.167 0.289 5.423 1.00 0.00 N ATOM 1029 CA GLY A 65 1.042 -0.085 4.765 1.00 0.00 C ATOM 1030 C GLY A 65 1.983 1.073 4.575 1.00 0.00 C ATOM 1031 O GLY A 65 1.638 2.222 4.862 1.00 0.00 O ATOM 0 H GLY A 65 -0.468 1.251 5.268 1.00 0.00 H new ATOM 0 HA2 GLY A 65 1.541 -0.862 5.345 1.00 0.00 H new ATOM 0 HA3 GLY A 65 0.803 -0.517 3.793 1.00 0.00 H new ATOM 1035 N ARG A 66 3.161 0.780 4.088 1.00 0.00 N ATOM 1036 CA ARG A 66 4.172 1.775 3.876 1.00 0.00 C ATOM 1037 C ARG A 66 4.705 1.675 2.439 1.00 0.00 C ATOM 1038 O ARG A 66 5.131 0.615 2.008 1.00 0.00 O ATOM 1039 CB ARG A 66 5.287 1.555 4.911 1.00 0.00 C ATOM 1040 CG ARG A 66 6.284 2.712 5.035 1.00 0.00 C ATOM 1041 CD ARG A 66 7.408 2.582 4.052 1.00 0.00 C ATOM 1042 NE ARG A 66 8.299 1.471 4.424 1.00 0.00 N ATOM 1043 CZ ARG A 66 8.584 0.427 3.644 1.00 0.00 C ATOM 1044 NH1 ARG A 66 7.872 0.194 2.560 1.00 0.00 N ATOM 1045 NH2 ARG A 66 9.538 -0.435 3.983 1.00 0.00 N ATOM 0 H ARG A 66 3.445 -0.164 3.826 1.00 0.00 H new ATOM 0 HA ARG A 66 3.764 2.778 4.003 1.00 0.00 H new ATOM 0 HB2 ARG A 66 4.830 1.381 5.885 1.00 0.00 H new ATOM 0 HB3 ARG A 66 5.834 0.649 4.649 1.00 0.00 H new ATOM 0 HG2 ARG A 66 5.766 3.658 4.873 1.00 0.00 H new ATOM 0 HG3 ARG A 66 6.687 2.738 6.047 1.00 0.00 H new ATOM 0 HD2 ARG A 66 7.006 2.413 3.053 1.00 0.00 H new ATOM 0 HD3 ARG A 66 7.975 3.512 4.015 1.00 0.00 H new ATOM 0 HE ARG A 66 8.731 1.502 5.348 1.00 0.00 H new ATOM 0 HH11 ARG A 66 7.099 0.813 2.314 1.00 0.00 H new ATOM 0 HH12 ARG A 66 8.093 -0.605 1.966 1.00 0.00 H new ATOM 0 HH21 ARG A 66 10.062 -0.302 4.848 1.00 0.00 H new ATOM 0 HH22 ARG A 66 9.746 -1.229 3.378 1.00 0.00 H new ATOM 1059 N ILE A 67 4.701 2.774 1.726 1.00 0.00 N ATOM 1060 CA ILE A 67 5.135 2.806 0.327 1.00 0.00 C ATOM 1061 C ILE A 67 6.562 3.220 0.159 1.00 0.00 C ATOM 1062 O ILE A 67 7.029 4.240 0.716 1.00 0.00 O ATOM 1063 CB ILE A 67 4.212 3.688 -0.529 1.00 0.00 C ATOM 1064 CG1 ILE A 67 2.912 2.985 -0.639 1.00 0.00 C ATOM 1065 CG2 ILE A 67 4.783 3.959 -1.931 1.00 0.00 C ATOM 1066 CD1 ILE A 67 1.746 3.912 -0.750 1.00 0.00 C ATOM 0 H ILE A 67 4.399 3.679 2.088 1.00 0.00 H new ATOM 0 HA ILE A 67 5.064 1.778 -0.027 1.00 0.00 H new ATOM 0 HB ILE A 67 4.106 4.661 -0.050 1.00 0.00 H new ATOM 0 HG12 ILE A 67 2.933 2.332 -1.512 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.777 2.346 0.234 1.00 0.00 H new ATOM 0 HG21 ILE A 67 4.090 4.586 -2.491 1.00 0.00 H new ATOM 0 HG22 ILE A 67 5.742 4.469 -1.841 1.00 0.00 H new ATOM 0 HG23 ILE A 67 4.922 3.014 -2.456 1.00 0.00 H new ATOM 0 HD11 ILE A 67 0.826 3.332 -0.827 1.00 0.00 H new ATOM 0 HD12 ILE A 67 1.701 4.548 0.134 1.00 0.00 H new ATOM 0 HD13 ILE A 67 1.859 4.534 -1.638 1.00 0.00 H new ATOM 1078 N THR A 68 7.244 2.396 -0.549 1.00 0.00 N ATOM 1079 CA THR A 68 8.619 2.640 -0.941 1.00 0.00 C ATOM 1080 C THR A 68 8.811 2.740 -2.444 1.00 0.00 C ATOM 1081 O THR A 68 9.749 3.381 -2.910 1.00 0.00 O ATOM 1082 CB THR A 68 9.523 1.553 -0.387 1.00 0.00 C ATOM 1083 OG1 THR A 68 8.796 0.296 -0.362 1.00 0.00 O ATOM 1084 CG2 THR A 68 9.945 1.929 0.986 1.00 0.00 C ATOM 0 H THR A 68 6.871 1.509 -0.889 1.00 0.00 H new ATOM 0 HA THR A 68 8.887 3.609 -0.521 1.00 0.00 H new ATOM 0 HB THR A 68 10.407 1.440 -1.015 1.00 0.00 H new ATOM 0 HG1 THR A 68 9.167 -0.283 0.336 1.00 0.00 H new ATOM 0 HG21 THR A 68 10.595 1.154 1.392 1.00 0.00 H new ATOM 0 HG22 THR A 68 10.485 2.875 0.954 1.00 0.00 H new ATOM 0 HG23 THR A 68 9.065 2.034 1.621 1.00 0.00 H new ATOM 1092 N TYR A 69 7.915 2.160 -3.198 1.00 0.00 N ATOM 1093 CA TYR A 69 8.093 2.098 -4.622 1.00 0.00 C ATOM 1094 C TYR A 69 6.764 2.251 -5.320 1.00 0.00 C ATOM 1095 O TYR A 69 5.732 1.819 -4.802 1.00 0.00 O ATOM 1096 CB TYR A 69 8.752 0.743 -4.970 1.00 0.00 C ATOM 1097 CG TYR A 69 9.081 0.501 -6.437 1.00 0.00 C ATOM 1098 CD1 TYR A 69 10.071 1.231 -7.082 1.00 0.00 C ATOM 1099 CD2 TYR A 69 8.414 -0.479 -7.165 1.00 0.00 C ATOM 1100 CE1 TYR A 69 10.382 0.996 -8.410 1.00 0.00 C ATOM 1101 CE2 TYR A 69 8.724 -0.726 -8.489 1.00 0.00 C ATOM 1102 CZ TYR A 69 9.706 0.013 -9.106 1.00 0.00 C ATOM 1103 OH TYR A 69 10.026 -0.237 -10.429 1.00 0.00 O ATOM 0 H TYR A 69 7.059 1.726 -2.851 1.00 0.00 H new ATOM 0 HA TYR A 69 8.736 2.911 -4.959 1.00 0.00 H new ATOM 0 HB2 TYR A 69 9.674 0.655 -4.395 1.00 0.00 H new ATOM 0 HB3 TYR A 69 8.089 -0.054 -4.634 1.00 0.00 H new ATOM 0 HD1 TYR A 69 10.607 1.995 -6.538 1.00 0.00 H new ATOM 0 HD2 TYR A 69 7.639 -1.058 -6.686 1.00 0.00 H new ATOM 0 HE1 TYR A 69 11.149 1.578 -8.899 1.00 0.00 H new ATOM 0 HE2 TYR A 69 8.198 -1.495 -9.036 1.00 0.00 H new ATOM 0 HH TYR A 69 9.459 -0.959 -10.772 1.00 0.00 H new ATOM 1113 N ARG A 70 6.783 2.902 -6.449 1.00 0.00 N ATOM 1114 CA ARG A 70 5.618 3.021 -7.274 1.00 0.00 C ATOM 1115 C ARG A 70 5.879 2.119 -8.461 1.00 0.00 C ATOM 1116 O ARG A 70 7.010 2.062 -8.961 1.00 0.00 O ATOM 1117 CB ARG A 70 5.363 4.496 -7.678 1.00 0.00 C ATOM 1118 CG ARG A 70 6.350 5.081 -8.676 1.00 0.00 C ATOM 1119 CD ARG A 70 6.355 6.602 -8.645 1.00 0.00 C ATOM 1120 NE ARG A 70 5.031 7.226 -8.812 1.00 0.00 N ATOM 1121 CZ ARG A 70 4.774 8.513 -8.545 1.00 0.00 C ATOM 1122 NH1 ARG A 70 5.731 9.302 -8.067 1.00 0.00 N ATOM 1123 NH2 ARG A 70 3.573 9.004 -8.715 1.00 0.00 N ATOM 0 H ARG A 70 7.611 3.366 -6.823 1.00 0.00 H new ATOM 0 HA ARG A 70 4.708 2.719 -6.755 1.00 0.00 H new ATOM 0 HB2 ARG A 70 4.360 4.571 -8.098 1.00 0.00 H new ATOM 0 HB3 ARG A 70 5.378 5.109 -6.777 1.00 0.00 H new ATOM 0 HG2 ARG A 70 7.351 4.710 -8.456 1.00 0.00 H new ATOM 0 HG3 ARG A 70 6.097 4.739 -9.680 1.00 0.00 H new ATOM 0 HD2 ARG A 70 6.779 6.931 -7.696 1.00 0.00 H new ATOM 0 HD3 ARG A 70 7.015 6.966 -9.433 1.00 0.00 H new ATOM 0 HE ARG A 70 4.265 6.644 -9.151 1.00 0.00 H new ATOM 0 HH11 ARG A 70 6.665 8.928 -7.902 1.00 0.00 H new ATOM 0 HH12 ARG A 70 5.531 10.282 -7.865 1.00 0.00 H new ATOM 0 HH21 ARG A 70 2.820 8.405 -9.054 1.00 0.00 H new ATOM 0 HH22 ARG A 70 3.389 9.986 -8.508 1.00 0.00 H new