USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 406 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 12 SER OG : rot 179:sc= 0 USER MOD Single : A 19 HIS : no HE2:sc= -0.662 X(o=-0.66,f=-0.96) USER MOD Single : A 21 THR OG1 : rot 170:sc= -0.357 USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=-0.097) USER MOD Single : A 30 LYS NZ :NH3+ 143:sc= 0.409 (180deg=0.0173) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -5.29! C(o=-5.3!,f=-7!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 89 N ILE A 10 1.820 -8.516 -12.788 1.00 0.00 N ATOM 90 CA ILE A 10 1.178 -7.532 -11.925 1.00 0.00 C ATOM 91 C ILE A 10 -0.090 -8.098 -11.294 1.00 0.00 C ATOM 92 O ILE A 10 -0.896 -8.743 -11.965 1.00 0.00 O ATOM 93 CB ILE A 10 0.823 -6.250 -12.701 1.00 0.00 C ATOM 94 CG1 ILE A 10 2.089 -5.605 -13.270 1.00 0.00 C ATOM 95 CG2 ILE A 10 0.083 -5.273 -11.800 1.00 0.00 C ATOM 96 CD1 ILE A 10 1.822 -4.669 -14.428 1.00 0.00 C ATOM 0 HA ILE A 10 1.893 -7.286 -11.140 1.00 0.00 H new ATOM 0 HB ILE A 10 0.168 -6.515 -13.531 1.00 0.00 H new ATOM 0 HG12 ILE A 10 2.594 -5.054 -12.477 1.00 0.00 H new ATOM 0 HG13 ILE A 10 2.771 -6.390 -13.597 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -0.161 -4.372 -12.363 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -0.836 -5.735 -11.439 1.00 0.00 H new ATOM 0 HG23 ILE A 10 0.715 -5.011 -10.951 1.00 0.00 H new ATOM 0 HD11 ILE A 10 2.764 -4.248 -14.781 1.00 0.00 H new ATOM 0 HD12 ILE A 10 1.345 -5.220 -15.238 1.00 0.00 H new ATOM 0 HD13 ILE A 10 1.165 -3.863 -14.101 1.00 0.00 H new ATOM 108 N VAL A 11 -0.260 -7.851 -9.999 1.00 0.00 N ATOM 109 CA VAL A 11 -1.431 -8.334 -9.277 1.00 0.00 C ATOM 110 C VAL A 11 -2.255 -7.174 -8.729 1.00 0.00 C ATOM 111 O VAL A 11 -1.707 -6.177 -8.259 1.00 0.00 O ATOM 112 CB VAL A 11 -1.031 -9.260 -8.113 1.00 0.00 C ATOM 113 CG1 VAL A 11 -0.445 -8.453 -6.965 1.00 0.00 C ATOM 114 CG2 VAL A 11 -2.227 -10.076 -7.647 1.00 0.00 C ATOM 0 H VAL A 11 0.398 -7.320 -9.429 1.00 0.00 H new ATOM 0 HA VAL A 11 -2.032 -8.899 -9.990 1.00 0.00 H new ATOM 0 HB VAL A 11 -0.265 -9.950 -8.467 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -0.168 -9.124 -6.152 1.00 0.00 H new ATOM 0 HG12 VAL A 11 0.440 -7.918 -7.311 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.186 -7.737 -6.608 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -1.927 -10.725 -6.824 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -3.017 -9.404 -7.310 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -2.596 -10.684 -8.473 1.00 0.00 H new ATOM 124 N SER A 12 -3.576 -7.312 -8.791 1.00 0.00 N ATOM 125 CA SER A 12 -4.476 -6.274 -8.303 1.00 0.00 C ATOM 126 C SER A 12 -5.357 -6.804 -7.175 1.00 0.00 C ATOM 127 O SER A 12 -6.005 -7.841 -7.315 1.00 0.00 O ATOM 128 CB SER A 12 -5.350 -5.750 -9.444 1.00 0.00 C ATOM 129 OG SER A 12 -4.601 -4.935 -10.328 1.00 0.00 O ATOM 0 H SER A 12 -4.046 -8.132 -9.174 1.00 0.00 H new ATOM 0 HA SER A 12 -3.870 -5.456 -7.913 1.00 0.00 H new ATOM 0 HB2 SER A 12 -5.778 -6.589 -9.993 1.00 0.00 H new ATOM 0 HB3 SER A 12 -6.183 -5.178 -9.035 1.00 0.00 H new ATOM 0 HG SER A 12 -5.178 -4.628 -11.058 1.00 0.00 H new ATOM 135 N ALA A 13 -5.373 -6.085 -6.058 1.00 0.00 N ATOM 136 CA ALA A 13 -6.175 -6.480 -4.907 1.00 0.00 C ATOM 137 C ALA A 13 -7.012 -5.314 -4.394 1.00 0.00 C ATOM 138 O ALA A 13 -6.575 -4.164 -4.423 1.00 0.00 O ATOM 139 CB ALA A 13 -5.279 -7.016 -3.800 1.00 0.00 C ATOM 0 H ALA A 13 -4.840 -5.226 -5.926 1.00 0.00 H new ATOM 0 HA ALA A 13 -6.856 -7.270 -5.224 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -5.890 -7.307 -2.946 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.729 -7.883 -4.165 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.575 -6.242 -3.495 1.00 0.00 H new ATOM 145 N GLU A 14 -8.219 -5.619 -3.925 1.00 0.00 N ATOM 146 CA GLU A 14 -9.117 -4.594 -3.408 1.00 0.00 C ATOM 147 C GLU A 14 -9.112 -4.585 -1.882 1.00 0.00 C ATOM 148 O GLU A 14 -9.112 -5.638 -1.245 1.00 0.00 O ATOM 149 CB GLU A 14 -10.540 -4.824 -3.922 1.00 0.00 C ATOM 150 CG GLU A 14 -11.495 -3.687 -3.601 1.00 0.00 C ATOM 151 CD GLU A 14 -12.931 -4.154 -3.461 1.00 0.00 C ATOM 152 OE1 GLU A 14 -13.512 -4.600 -4.472 1.00 0.00 O ATOM 153 OE2 GLU A 14 -13.474 -4.073 -2.338 1.00 0.00 O ATOM 0 H GLU A 14 -8.596 -6.566 -3.893 1.00 0.00 H new ATOM 0 HA GLU A 14 -8.762 -3.626 -3.761 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -10.508 -4.966 -5.002 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -10.929 -5.746 -3.490 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -11.182 -3.205 -2.675 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -11.436 -2.935 -4.388 1.00 0.00 H new ATOM 160 N ALA A 15 -9.106 -3.389 -1.303 1.00 0.00 N ATOM 161 CA ALA A 15 -9.102 -3.243 0.147 1.00 0.00 C ATOM 162 C ALA A 15 -10.363 -3.837 0.763 1.00 0.00 C ATOM 163 O ALA A 15 -11.479 -3.510 0.357 1.00 0.00 O ATOM 164 CB ALA A 15 -8.967 -1.776 0.529 1.00 0.00 C ATOM 0 H ALA A 15 -9.104 -2.507 -1.816 1.00 0.00 H new ATOM 0 HA ALA A 15 -8.245 -3.791 0.540 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -8.965 -1.681 1.615 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -8.033 -1.380 0.129 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -9.805 -1.214 0.117 1.00 0.00 H new ATOM 170 N VAL A 16 -10.181 -4.714 1.746 1.00 0.00 N ATOM 171 CA VAL A 16 -11.305 -5.355 2.418 1.00 0.00 C ATOM 172 C VAL A 16 -11.859 -4.468 3.528 1.00 0.00 C ATOM 173 O VAL A 16 -13.073 -4.342 3.687 1.00 0.00 O ATOM 174 CB VAL A 16 -10.900 -6.715 3.016 1.00 0.00 C ATOM 175 CG1 VAL A 16 -12.126 -7.469 3.506 1.00 0.00 C ATOM 176 CG2 VAL A 16 -10.131 -7.538 1.993 1.00 0.00 C ATOM 0 H VAL A 16 -9.265 -4.997 2.095 1.00 0.00 H new ATOM 0 HA VAL A 16 -12.076 -5.514 1.664 1.00 0.00 H new ATOM 0 HB VAL A 16 -10.247 -6.537 3.871 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -11.820 -8.428 3.925 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -12.632 -6.882 4.273 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -12.806 -7.639 2.672 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -9.852 -8.496 2.432 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -10.758 -7.708 1.118 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -9.231 -7.000 1.695 1.00 0.00 H new ATOM 186 N TRP A 17 -10.961 -3.857 4.292 1.00 0.00 N ATOM 187 CA TRP A 17 -11.360 -2.981 5.388 1.00 0.00 C ATOM 188 C TRP A 17 -10.415 -1.790 5.505 1.00 0.00 C ATOM 189 O TRP A 17 -9.217 -1.910 5.250 1.00 0.00 O ATOM 190 CB TRP A 17 -11.387 -3.758 6.705 1.00 0.00 C ATOM 191 CG TRP A 17 -12.485 -4.776 6.772 1.00 0.00 C ATOM 192 CD1 TRP A 17 -12.395 -6.101 6.451 1.00 0.00 C ATOM 193 CD2 TRP A 17 -13.838 -4.552 7.183 1.00 0.00 C ATOM 194 NE1 TRP A 17 -13.610 -6.714 6.638 1.00 0.00 N ATOM 195 CE2 TRP A 17 -14.512 -5.785 7.087 1.00 0.00 C ATOM 196 CE3 TRP A 17 -14.545 -3.431 7.624 1.00 0.00 C ATOM 197 CZ2 TRP A 17 -15.858 -5.925 7.416 1.00 0.00 C ATOM 198 CZ3 TRP A 17 -15.881 -3.571 7.950 1.00 0.00 C ATOM 199 CH2 TRP A 17 -16.526 -4.810 7.845 1.00 0.00 C ATOM 0 H TRP A 17 -9.952 -3.952 4.173 1.00 0.00 H new ATOM 0 HA TRP A 17 -12.361 -2.606 5.175 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -10.429 -4.258 6.843 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -11.502 -3.056 7.531 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -11.500 -6.594 6.102 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -13.809 -7.700 6.470 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -14.056 -2.472 7.709 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -16.357 -6.879 7.335 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -16.437 -2.710 8.291 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -17.571 -4.887 8.108 1.00 0.00 H new ATOM 210 N ASP A 18 -10.962 -0.643 5.893 1.00 0.00 N ATOM 211 CA ASP A 18 -10.166 0.570 6.045 1.00 0.00 C ATOM 212 C ASP A 18 -8.935 0.307 6.907 1.00 0.00 C ATOM 213 O ASP A 18 -9.045 0.081 8.112 1.00 0.00 O ATOM 214 CB ASP A 18 -11.010 1.684 6.666 1.00 0.00 C ATOM 215 CG ASP A 18 -11.950 1.170 7.738 1.00 0.00 C ATOM 216 OD1 ASP A 18 -12.846 0.366 7.405 1.00 0.00 O ATOM 217 OD2 ASP A 18 -11.790 1.571 8.910 1.00 0.00 O ATOM 0 H ASP A 18 -11.952 -0.528 6.108 1.00 0.00 H new ATOM 0 HA ASP A 18 -9.834 0.884 5.055 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -10.351 2.438 7.096 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -11.589 2.175 5.884 1.00 0.00 H new ATOM 222 N HIS A 19 -7.763 0.338 6.280 1.00 0.00 N ATOM 223 CA HIS A 19 -6.510 0.103 6.990 1.00 0.00 C ATOM 224 C HIS A 19 -5.886 1.420 7.441 1.00 0.00 C ATOM 225 O HIS A 19 -4.895 1.877 6.872 1.00 0.00 O ATOM 226 CB HIS A 19 -5.530 -0.660 6.099 1.00 0.00 C ATOM 227 CG HIS A 19 -4.139 -0.718 6.651 1.00 0.00 C ATOM 228 ND1 HIS A 19 -3.053 -0.154 6.016 1.00 0.00 N ATOM 229 CD2 HIS A 19 -3.660 -1.278 7.786 1.00 0.00 C ATOM 230 CE1 HIS A 19 -1.966 -0.365 6.736 1.00 0.00 C ATOM 231 NE2 HIS A 19 -2.307 -1.044 7.816 1.00 0.00 N ATOM 0 H HIS A 19 -7.655 0.523 5.283 1.00 0.00 H new ATOM 0 HA HIS A 19 -6.729 -0.497 7.874 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -5.898 -1.676 5.955 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -5.503 -0.189 5.116 1.00 0.00 H new ATOM 0 HD1 HIS A 19 -3.084 0.348 5.129 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -4.235 -1.810 8.530 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -0.968 -0.038 6.484 1.00 0.00 H new ATOM 240 N VAL A 20 -6.474 2.027 8.468 1.00 0.00 N ATOM 241 CA VAL A 20 -5.975 3.291 8.996 1.00 0.00 C ATOM 242 C VAL A 20 -4.473 3.227 9.248 1.00 0.00 C ATOM 243 O VAL A 20 -3.934 2.176 9.596 1.00 0.00 O ATOM 244 CB VAL A 20 -6.689 3.673 10.306 1.00 0.00 C ATOM 245 CG1 VAL A 20 -8.185 3.819 10.076 1.00 0.00 C ATOM 246 CG2 VAL A 20 -6.406 2.640 11.387 1.00 0.00 C ATOM 0 H VAL A 20 -7.296 1.664 8.950 1.00 0.00 H new ATOM 0 HA VAL A 20 -6.182 4.052 8.243 1.00 0.00 H new ATOM 0 HB VAL A 20 -6.302 4.635 10.643 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -8.672 4.089 11.013 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -8.365 4.598 9.335 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -8.591 2.874 9.715 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -6.918 2.925 12.306 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -6.764 1.664 11.060 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -5.333 2.590 11.570 1.00 0.00 H new ATOM 256 N THR A 21 -3.800 4.360 9.070 1.00 0.00 N ATOM 257 CA THR A 21 -2.359 4.434 9.278 1.00 0.00 C ATOM 258 C THR A 21 -1.972 5.724 9.991 1.00 0.00 C ATOM 259 O THR A 21 -2.666 6.734 9.886 1.00 0.00 O ATOM 260 CB THR A 21 -1.594 4.348 7.943 1.00 0.00 C ATOM 261 OG1 THR A 21 -1.690 5.593 7.243 1.00 0.00 O ATOM 262 CG2 THR A 21 -2.146 3.228 7.074 1.00 0.00 C ATOM 0 H THR A 21 -4.230 5.239 8.782 1.00 0.00 H new ATOM 0 HA THR A 21 -2.085 3.582 9.901 1.00 0.00 H new ATOM 0 HB THR A 21 -0.548 4.134 8.162 1.00 0.00 H new ATOM 0 HG1 THR A 21 -1.075 5.588 6.480 1.00 0.00 H new ATOM 0 HG21 THR A 21 -1.590 3.187 6.137 1.00 0.00 H new ATOM 0 HG22 THR A 21 -2.045 2.278 7.598 1.00 0.00 H new ATOM 0 HG23 THR A 21 -3.199 3.416 6.863 1.00 0.00 H new ATOM 270 N MET A 22 -0.858 5.683 10.715 1.00 0.00 N ATOM 271 CA MET A 22 -0.377 6.851 11.443 1.00 0.00 C ATOM 272 C MET A 22 0.987 7.293 10.923 1.00 0.00 C ATOM 273 O MET A 22 1.912 7.528 11.701 1.00 0.00 O ATOM 274 CB MET A 22 -0.291 6.545 12.940 1.00 0.00 C ATOM 275 CG MET A 22 -0.511 7.763 13.823 1.00 0.00 C ATOM 276 SD MET A 22 -2.250 8.217 13.960 1.00 0.00 S ATOM 277 CE MET A 22 -2.743 7.242 15.380 1.00 0.00 C ATOM 0 H MET A 22 -0.272 4.854 10.813 1.00 0.00 H new ATOM 0 HA MET A 22 -1.086 7.664 11.285 1.00 0.00 H new ATOM 0 HB2 MET A 22 -1.032 5.786 13.191 1.00 0.00 H new ATOM 0 HB3 MET A 22 0.688 6.119 13.160 1.00 0.00 H new ATOM 0 HG2 MET A 22 -0.113 7.563 14.818 1.00 0.00 H new ATOM 0 HG3 MET A 22 0.050 8.606 13.419 1.00 0.00 H new ATOM 0 HE1 MET A 22 -3.798 7.415 15.591 1.00 0.00 H new ATOM 0 HE2 MET A 22 -2.584 6.185 15.168 1.00 0.00 H new ATOM 0 HE3 MET A 22 -2.147 7.532 16.245 1.00 0.00 H new ATOM 287 N ALA A 23 1.105 7.403 9.604 1.00 0.00 N ATOM 288 CA ALA A 23 2.356 7.818 8.982 1.00 0.00 C ATOM 289 C ALA A 23 2.170 8.069 7.489 1.00 0.00 C ATOM 290 O ALA A 23 1.282 7.496 6.860 1.00 0.00 O ATOM 291 CB ALA A 23 3.434 6.769 9.211 1.00 0.00 C ATOM 0 H ALA A 23 0.350 7.211 8.946 1.00 0.00 H new ATOM 0 HA ALA A 23 2.670 8.753 9.446 1.00 0.00 H new ATOM 0 HB1 ALA A 23 4.363 7.093 8.741 1.00 0.00 H new ATOM 0 HB2 ALA A 23 3.595 6.640 10.281 1.00 0.00 H new ATOM 0 HB3 ALA A 23 3.118 5.821 8.775 1.00 0.00 H new ATOM 297 N ASN A 24 3.012 8.931 6.929 1.00 0.00 N ATOM 298 CA ASN A 24 2.939 9.259 5.510 1.00 0.00 C ATOM 299 C ASN A 24 3.430 8.094 4.656 1.00 0.00 C ATOM 300 O ASN A 24 2.680 7.542 3.851 1.00 0.00 O ATOM 301 CB ASN A 24 3.767 10.510 5.211 1.00 0.00 C ATOM 302 CG ASN A 24 3.360 11.692 6.069 1.00 0.00 C ATOM 303 OD1 ASN A 24 3.848 11.859 7.187 1.00 0.00 O ATOM 304 ND2 ASN A 24 2.462 12.520 5.548 1.00 0.00 N ATOM 0 H ASN A 24 3.753 9.415 7.436 1.00 0.00 H new ATOM 0 HA ASN A 24 1.896 9.454 5.261 1.00 0.00 H new ATOM 0 HB2 ASN A 24 4.822 10.292 5.375 1.00 0.00 H new ATOM 0 HB3 ASN A 24 3.656 10.773 4.159 1.00 0.00 H new ATOM 0 HD21 ASN A 24 2.150 13.333 6.079 1.00 0.00 H new ATOM 0 HD22 ASN A 24 2.084 12.343 4.617 1.00 0.00 H new ATOM 311 N ARG A 25 4.694 7.726 4.838 1.00 0.00 N ATOM 312 CA ARG A 25 5.285 6.627 4.085 1.00 0.00 C ATOM 313 C ARG A 25 4.276 5.500 3.884 1.00 0.00 C ATOM 314 O ARG A 25 4.182 4.924 2.801 1.00 0.00 O ATOM 315 CB ARG A 25 6.524 6.094 4.806 1.00 0.00 C ATOM 316 CG ARG A 25 6.229 5.525 6.185 1.00 0.00 C ATOM 317 CD ARG A 25 7.508 5.270 6.967 1.00 0.00 C ATOM 318 NE ARG A 25 8.185 6.512 7.330 1.00 0.00 N ATOM 319 CZ ARG A 25 9.456 6.571 7.711 1.00 0.00 C ATOM 320 NH1 ARG A 25 10.184 5.465 7.779 1.00 0.00 N ATOM 321 NH2 ARG A 25 10.002 7.740 8.026 1.00 0.00 N ATOM 0 H ARG A 25 5.328 8.173 5.500 1.00 0.00 H new ATOM 0 HA ARG A 25 5.578 7.007 3.107 1.00 0.00 H new ATOM 0 HB2 ARG A 25 6.985 5.319 4.194 1.00 0.00 H new ATOM 0 HB3 ARG A 25 7.252 6.899 4.903 1.00 0.00 H new ATOM 0 HG2 ARG A 25 5.595 6.218 6.738 1.00 0.00 H new ATOM 0 HG3 ARG A 25 5.671 4.594 6.084 1.00 0.00 H new ATOM 0 HD2 ARG A 25 7.274 4.707 7.871 1.00 0.00 H new ATOM 0 HD3 ARG A 25 8.180 4.652 6.371 1.00 0.00 H new ATOM 0 HE ARG A 25 7.653 7.381 7.289 1.00 0.00 H new ATOM 0 HH11 ARG A 25 9.768 4.565 7.538 1.00 0.00 H new ATOM 0 HH12 ARG A 25 11.160 5.514 8.072 1.00 0.00 H new ATOM 0 HH21 ARG A 25 9.445 8.593 7.975 1.00 0.00 H new ATOM 0 HH22 ARG A 25 10.978 7.785 8.319 1.00 0.00 H new ATOM 335 N GLU A 26 3.526 5.190 4.937 1.00 0.00 N ATOM 336 CA GLU A 26 2.525 4.131 4.876 1.00 0.00 C ATOM 337 C GLU A 26 1.400 4.500 3.913 1.00 0.00 C ATOM 338 O GLU A 26 1.112 5.678 3.700 1.00 0.00 O ATOM 339 CB GLU A 26 1.952 3.860 6.269 1.00 0.00 C ATOM 340 CG GLU A 26 2.734 2.824 7.058 1.00 0.00 C ATOM 341 CD GLU A 26 2.082 2.487 8.385 1.00 0.00 C ATOM 342 OE1 GLU A 26 2.181 3.309 9.320 1.00 0.00 O ATOM 343 OE2 GLU A 26 1.472 1.403 8.488 1.00 0.00 O ATOM 0 H GLU A 26 3.592 5.657 5.842 1.00 0.00 H new ATOM 0 HA GLU A 26 3.011 3.227 4.509 1.00 0.00 H new ATOM 0 HB2 GLU A 26 1.931 4.793 6.832 1.00 0.00 H new ATOM 0 HB3 GLU A 26 0.920 3.525 6.169 1.00 0.00 H new ATOM 0 HG2 GLU A 26 2.829 1.916 6.463 1.00 0.00 H new ATOM 0 HG3 GLU A 26 3.743 3.195 7.237 1.00 0.00 H new ATOM 350 N LEU A 27 0.769 3.484 3.335 1.00 0.00 N ATOM 351 CA LEU A 27 -0.325 3.700 2.394 1.00 0.00 C ATOM 352 C LEU A 27 -1.673 3.666 3.108 1.00 0.00 C ATOM 353 O LEU A 27 -2.118 2.613 3.563 1.00 0.00 O ATOM 354 CB LEU A 27 -0.292 2.640 1.291 1.00 0.00 C ATOM 355 CG LEU A 27 -1.003 3.006 -0.012 1.00 0.00 C ATOM 356 CD1 LEU A 27 -0.221 4.070 -0.766 1.00 0.00 C ATOM 357 CD2 LEU A 27 -1.196 1.770 -0.879 1.00 0.00 C ATOM 0 H LEU A 27 0.996 2.503 3.501 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.197 4.686 1.946 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.750 2.415 1.062 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.738 1.725 1.680 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.985 3.411 0.234 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.742 4.318 -1.691 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.134 4.964 -0.148 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.774 3.692 -1.001 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.704 2.049 -1.802 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.224 1.336 -1.116 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.798 1.038 -0.341 1.00 0.00 H new ATOM 369 N ALA A 28 -2.317 4.824 3.199 1.00 0.00 N ATOM 370 CA ALA A 28 -3.616 4.926 3.854 1.00 0.00 C ATOM 371 C ALA A 28 -4.751 4.792 2.845 1.00 0.00 C ATOM 372 O ALA A 28 -4.835 5.558 1.884 1.00 0.00 O ATOM 373 CB ALA A 28 -3.727 6.245 4.604 1.00 0.00 C ATOM 0 H ALA A 28 -1.961 5.705 2.828 1.00 0.00 H new ATOM 0 HA ALA A 28 -3.701 4.107 4.568 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -4.702 6.307 5.088 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -2.943 6.301 5.359 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -3.616 7.072 3.903 1.00 0.00 H new ATOM 379 N PHE A 29 -5.623 3.814 3.068 1.00 0.00 N ATOM 380 CA PHE A 29 -6.753 3.579 2.176 1.00 0.00 C ATOM 381 C PHE A 29 -7.998 3.190 2.968 1.00 0.00 C ATOM 382 O PHE A 29 -7.924 2.905 4.164 1.00 0.00 O ATOM 383 CB PHE A 29 -6.413 2.482 1.166 1.00 0.00 C ATOM 384 CG PHE A 29 -5.733 1.291 1.780 1.00 0.00 C ATOM 385 CD1 PHE A 29 -4.357 1.266 1.937 1.00 0.00 C ATOM 386 CD2 PHE A 29 -6.471 0.196 2.201 1.00 0.00 C ATOM 387 CE1 PHE A 29 -3.728 0.173 2.502 1.00 0.00 C ATOM 388 CE2 PHE A 29 -5.848 -0.900 2.767 1.00 0.00 C ATOM 389 CZ PHE A 29 -4.475 -0.912 2.917 1.00 0.00 C ATOM 0 H PHE A 29 -5.569 3.172 3.858 1.00 0.00 H new ATOM 0 HA PHE A 29 -6.960 4.505 1.639 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -7.330 2.154 0.676 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -5.769 2.899 0.392 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -3.768 2.112 1.614 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -7.545 0.199 2.085 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -2.654 0.167 2.619 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -6.434 -1.747 3.092 1.00 0.00 H new ATOM 0 HZ PHE A 29 -3.986 -1.768 3.358 1.00 0.00 H new ATOM 399 N LYS A 30 -9.142 3.180 2.292 1.00 0.00 N ATOM 400 CA LYS A 30 -10.405 2.826 2.929 1.00 0.00 C ATOM 401 C LYS A 30 -10.991 1.562 2.309 1.00 0.00 C ATOM 402 O LYS A 30 -10.609 1.165 1.208 1.00 0.00 O ATOM 403 CB LYS A 30 -11.403 3.979 2.806 1.00 0.00 C ATOM 404 CG LYS A 30 -11.644 4.424 1.374 1.00 0.00 C ATOM 405 CD LYS A 30 -12.070 5.881 1.307 1.00 0.00 C ATOM 406 CE LYS A 30 -12.209 6.355 -0.131 1.00 0.00 C ATOM 407 NZ LYS A 30 -13.466 5.862 -0.759 1.00 0.00 N ATOM 0 H LYS A 30 -9.220 3.413 1.302 1.00 0.00 H new ATOM 0 HA LYS A 30 -10.210 2.635 3.984 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -12.352 3.676 3.248 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -11.038 4.828 3.385 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -10.734 4.283 0.790 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -12.413 3.798 0.922 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -13.020 6.008 1.826 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -11.338 6.500 1.826 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -12.193 7.445 -0.157 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -11.353 6.010 -0.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -13.853 6.597 -1.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -13.264 5.006 -1.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -14.160 5.638 -0.017 1.00 0.00 H new ATOM 421 N ALA A 31 -11.922 0.936 3.021 1.00 0.00 N ATOM 422 CA ALA A 31 -12.564 -0.281 2.538 1.00 0.00 C ATOM 423 C ALA A 31 -13.290 -0.032 1.220 1.00 0.00 C ATOM 424 O ALA A 31 -14.323 0.634 1.185 1.00 0.00 O ATOM 425 CB ALA A 31 -13.532 -0.817 3.582 1.00 0.00 C ATOM 0 H ALA A 31 -12.249 1.251 3.934 1.00 0.00 H new ATOM 0 HA ALA A 31 -11.788 -1.026 2.361 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -14.004 -1.726 3.208 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -12.989 -1.042 4.500 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -14.297 -0.068 3.787 1.00 0.00 H new ATOM 431 N GLY A 32 -12.740 -0.572 0.136 1.00 0.00 N ATOM 432 CA GLY A 32 -13.349 -0.396 -1.170 1.00 0.00 C ATOM 433 C GLY A 32 -12.367 0.123 -2.202 1.00 0.00 C ATOM 434 O GLY A 32 -12.495 -0.168 -3.391 1.00 0.00 O ATOM 0 H GLY A 32 -11.885 -1.128 0.139 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -13.758 -1.348 -1.508 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -14.185 0.298 -1.087 1.00 0.00 H new ATOM 438 N ASP A 33 -11.386 0.894 -1.747 1.00 0.00 N ATOM 439 CA ASP A 33 -10.379 1.456 -2.639 1.00 0.00 C ATOM 440 C ASP A 33 -9.394 0.383 -3.092 1.00 0.00 C ATOM 441 O ASP A 33 -8.725 -0.246 -2.272 1.00 0.00 O ATOM 442 CB ASP A 33 -9.629 2.594 -1.944 1.00 0.00 C ATOM 443 CG ASP A 33 -10.433 3.878 -1.905 1.00 0.00 C ATOM 444 OD1 ASP A 33 -11.673 3.799 -1.778 1.00 0.00 O ATOM 445 OD2 ASP A 33 -9.822 4.963 -1.999 1.00 0.00 O ATOM 0 H ASP A 33 -11.267 1.144 -0.765 1.00 0.00 H new ATOM 0 HA ASP A 33 -10.888 1.851 -3.518 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -9.381 2.293 -0.926 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -8.687 2.774 -2.462 1.00 0.00 H new ATOM 450 N VAL A 34 -9.311 0.177 -4.403 1.00 0.00 N ATOM 451 CA VAL A 34 -8.409 -0.820 -4.965 1.00 0.00 C ATOM 452 C VAL A 34 -7.006 -0.251 -5.148 1.00 0.00 C ATOM 453 O VAL A 34 -6.838 0.943 -5.399 1.00 0.00 O ATOM 454 CB VAL A 34 -8.921 -1.340 -6.321 1.00 0.00 C ATOM 455 CG1 VAL A 34 -8.997 -0.208 -7.333 1.00 0.00 C ATOM 456 CG2 VAL A 34 -8.031 -2.464 -6.831 1.00 0.00 C ATOM 0 H VAL A 34 -9.858 0.688 -5.096 1.00 0.00 H new ATOM 0 HA VAL A 34 -8.373 -1.648 -4.257 1.00 0.00 H new ATOM 0 HB VAL A 34 -9.926 -1.738 -6.182 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -9.361 -0.595 -8.285 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -9.679 0.560 -6.969 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -8.006 0.223 -7.472 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -8.408 -2.820 -7.790 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -7.013 -2.094 -6.955 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -8.034 -3.284 -6.113 1.00 0.00 H new ATOM 466 N ILE A 35 -6.003 -1.113 -5.022 1.00 0.00 N ATOM 467 CA ILE A 35 -4.615 -0.696 -5.176 1.00 0.00 C ATOM 468 C ILE A 35 -3.909 -1.519 -6.248 1.00 0.00 C ATOM 469 O ILE A 35 -4.243 -2.682 -6.474 1.00 0.00 O ATOM 470 CB ILE A 35 -3.838 -0.824 -3.852 1.00 0.00 C ATOM 471 CG1 ILE A 35 -4.629 -0.185 -2.708 1.00 0.00 C ATOM 472 CG2 ILE A 35 -2.465 -0.181 -3.978 1.00 0.00 C ATOM 473 CD1 ILE A 35 -4.378 -0.834 -1.364 1.00 0.00 C ATOM 0 H ILE A 35 -6.125 -2.104 -4.814 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.632 0.351 -5.478 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.702 -1.882 -3.629 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -4.372 0.872 -2.646 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -5.693 -0.242 -2.937 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -1.929 -0.280 -3.034 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.902 -0.677 -4.769 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.579 0.875 -4.222 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -4.971 -0.330 -0.600 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -4.662 -1.885 -1.409 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -3.320 -0.754 -1.113 1.00 0.00 H new ATOM 485 N LYS A 36 -2.928 -0.909 -6.905 1.00 0.00 N ATOM 486 CA LYS A 36 -2.171 -1.585 -7.951 1.00 0.00 C ATOM 487 C LYS A 36 -0.791 -1.994 -7.447 1.00 0.00 C ATOM 488 O LYS A 36 0.103 -1.159 -7.310 1.00 0.00 O ATOM 489 CB LYS A 36 -2.030 -0.677 -9.175 1.00 0.00 C ATOM 490 CG LYS A 36 -1.712 -1.427 -10.456 1.00 0.00 C ATOM 491 CD LYS A 36 -1.222 -0.488 -11.546 1.00 0.00 C ATOM 492 CE LYS A 36 -1.045 -1.215 -12.870 1.00 0.00 C ATOM 493 NZ LYS A 36 -1.134 -0.285 -14.030 1.00 0.00 N ATOM 0 H LYS A 36 -2.639 0.053 -6.731 1.00 0.00 H new ATOM 0 HA LYS A 36 -2.716 -2.485 -8.235 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.956 -0.119 -9.311 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.243 0.053 -8.986 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -0.952 -2.183 -10.257 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -2.602 -1.953 -10.801 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -1.933 0.329 -11.671 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -0.274 -0.042 -11.245 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -0.078 -1.718 -12.881 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -1.808 -1.988 -12.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -1.008 -0.819 -14.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -2.066 0.177 -14.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -0.390 0.438 -13.953 1.00 0.00 H new ATOM 507 N VAL A 37 -0.624 -3.284 -7.173 1.00 0.00 N ATOM 508 CA VAL A 37 0.648 -3.804 -6.687 1.00 0.00 C ATOM 509 C VAL A 37 1.719 -3.737 -7.769 1.00 0.00 C ATOM 510 O VAL A 37 1.510 -4.191 -8.895 1.00 0.00 O ATOM 511 CB VAL A 37 0.511 -5.261 -6.205 1.00 0.00 C ATOM 512 CG1 VAL A 37 1.832 -5.763 -5.641 1.00 0.00 C ATOM 513 CG2 VAL A 37 -0.598 -5.378 -5.171 1.00 0.00 C ATOM 0 H VAL A 37 -1.354 -3.988 -7.279 1.00 0.00 H new ATOM 0 HA VAL A 37 0.946 -3.177 -5.846 1.00 0.00 H new ATOM 0 HB VAL A 37 0.247 -5.885 -7.059 1.00 0.00 H new ATOM 0 HG11 VAL A 37 1.716 -6.794 -5.306 1.00 0.00 H new ATOM 0 HG12 VAL A 37 2.599 -5.717 -6.414 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.129 -5.138 -4.798 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -0.681 -6.414 -4.842 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.367 -4.743 -4.316 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.543 -5.061 -5.613 1.00 0.00 H new ATOM 523 N LEU A 38 2.868 -3.167 -7.422 1.00 0.00 N ATOM 524 CA LEU A 38 3.975 -3.041 -8.364 1.00 0.00 C ATOM 525 C LEU A 38 4.958 -4.196 -8.207 1.00 0.00 C ATOM 526 O LEU A 38 5.162 -4.981 -9.133 1.00 0.00 O ATOM 527 CB LEU A 38 4.697 -1.708 -8.156 1.00 0.00 C ATOM 528 CG LEU A 38 3.809 -0.466 -8.090 1.00 0.00 C ATOM 529 CD1 LEU A 38 4.656 0.797 -8.091 1.00 0.00 C ATOM 530 CD2 LEU A 38 2.826 -0.451 -9.252 1.00 0.00 C ATOM 0 H LEU A 38 3.057 -2.785 -6.495 1.00 0.00 H new ATOM 0 HA LEU A 38 3.566 -3.072 -9.374 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.271 -1.769 -7.231 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.413 -1.575 -8.967 1.00 0.00 H new ATOM 0 HG LEU A 38 3.242 -0.498 -7.160 1.00 0.00 H new ATOM 0 HD11 LEU A 38 4.006 1.671 -8.044 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.319 0.791 -7.226 1.00 0.00 H new ATOM 0 HD13 LEU A 38 5.250 0.836 -9.004 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.202 0.440 -9.189 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.375 -0.443 -10.193 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.196 -1.339 -9.207 1.00 0.00 H new ATOM 542 N ASP A 39 5.564 -4.294 -7.029 1.00 0.00 N ATOM 543 CA ASP A 39 6.525 -5.355 -6.749 1.00 0.00 C ATOM 544 C ASP A 39 6.184 -6.065 -5.442 1.00 0.00 C ATOM 545 O ASP A 39 6.527 -5.591 -4.360 1.00 0.00 O ATOM 546 CB ASP A 39 7.942 -4.785 -6.680 1.00 0.00 C ATOM 547 CG ASP A 39 8.975 -5.840 -6.338 1.00 0.00 C ATOM 548 OD1 ASP A 39 8.611 -6.831 -5.670 1.00 0.00 O ATOM 549 OD2 ASP A 39 10.147 -5.675 -6.736 1.00 0.00 O ATOM 0 H ASP A 39 5.407 -3.652 -6.252 1.00 0.00 H new ATOM 0 HA ASP A 39 6.474 -6.081 -7.560 1.00 0.00 H new ATOM 0 HB2 ASP A 39 8.195 -4.331 -7.638 1.00 0.00 H new ATOM 0 HB3 ASP A 39 7.975 -3.992 -5.933 1.00 0.00 H new ATOM 554 N ALA A 40 5.507 -7.204 -5.552 1.00 0.00 N ATOM 555 CA ALA A 40 5.122 -7.979 -4.380 1.00 0.00 C ATOM 556 C ALA A 40 6.132 -9.085 -4.096 1.00 0.00 C ATOM 557 O ALA A 40 5.763 -10.245 -3.911 1.00 0.00 O ATOM 558 CB ALA A 40 3.732 -8.568 -4.570 1.00 0.00 C ATOM 0 H ALA A 40 5.214 -7.610 -6.441 1.00 0.00 H new ATOM 0 HA ALA A 40 5.107 -7.308 -3.521 1.00 0.00 H new ATOM 0 HB1 ALA A 40 3.457 -9.145 -3.687 1.00 0.00 H new ATOM 0 HB2 ALA A 40 3.012 -7.762 -4.716 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.729 -9.220 -5.444 1.00 0.00 H new ATOM 611 N ASP A 44 5.245 -11.020 2.698 1.00 0.00 N ATOM 612 CA ASP A 44 4.486 -10.284 3.702 1.00 0.00 C ATOM 613 C ASP A 44 4.382 -8.808 3.331 1.00 0.00 C ATOM 614 O ASP A 44 3.317 -8.202 3.447 1.00 0.00 O ATOM 615 CB ASP A 44 5.139 -10.432 5.077 1.00 0.00 C ATOM 616 CG ASP A 44 4.919 -11.806 5.678 1.00 0.00 C ATOM 617 OD1 ASP A 44 3.898 -11.993 6.372 1.00 0.00 O ATOM 618 OD2 ASP A 44 5.767 -12.694 5.453 1.00 0.00 O ATOM 0 HA ASP A 44 3.480 -10.703 3.739 1.00 0.00 H new ATOM 0 HB2 ASP A 44 6.209 -10.244 4.990 1.00 0.00 H new ATOM 0 HB3 ASP A 44 4.736 -9.675 5.750 1.00 0.00 H new ATOM 623 N TRP A 45 5.495 -8.236 2.885 1.00 0.00 N ATOM 624 CA TRP A 45 5.529 -6.830 2.497 1.00 0.00 C ATOM 625 C TRP A 45 5.154 -6.661 1.029 1.00 0.00 C ATOM 626 O TRP A 45 5.883 -7.097 0.139 1.00 0.00 O ATOM 627 CB TRP A 45 6.919 -6.244 2.752 1.00 0.00 C ATOM 628 CG TRP A 45 7.077 -5.664 4.125 1.00 0.00 C ATOM 629 CD1 TRP A 45 8.091 -5.908 5.006 1.00 0.00 C ATOM 630 CD2 TRP A 45 6.191 -4.746 4.774 1.00 0.00 C ATOM 631 NE1 TRP A 45 7.890 -5.197 6.164 1.00 0.00 N ATOM 632 CE2 TRP A 45 6.731 -4.475 6.047 1.00 0.00 C ATOM 633 CE3 TRP A 45 4.996 -4.124 4.404 1.00 0.00 C ATOM 634 CZ2 TRP A 45 6.116 -3.611 6.948 1.00 0.00 C ATOM 635 CZ3 TRP A 45 4.386 -3.267 5.300 1.00 0.00 C ATOM 636 CH2 TRP A 45 4.946 -3.016 6.560 1.00 0.00 C ATOM 0 H TRP A 45 6.385 -8.724 2.783 1.00 0.00 H new ATOM 0 HA TRP A 45 4.799 -6.293 3.103 1.00 0.00 H new ATOM 0 HB2 TRP A 45 7.666 -7.024 2.607 1.00 0.00 H new ATOM 0 HB3 TRP A 45 7.120 -5.469 2.013 1.00 0.00 H new ATOM 0 HD1 TRP A 45 8.929 -6.564 4.820 1.00 0.00 H new ATOM 0 HE1 TRP A 45 8.504 -5.205 6.979 1.00 0.00 H new ATOM 0 HE3 TRP A 45 4.557 -4.310 3.435 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 6.547 -3.417 7.919 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 3.461 -2.782 5.024 1.00 0.00 H new ATOM 0 HH2 TRP A 45 4.445 -2.340 7.237 1.00 0.00 H new ATOM 647 N TRP A 46 4.013 -6.026 0.785 1.00 0.00 N ATOM 648 CA TRP A 46 3.542 -5.799 -0.577 1.00 0.00 C ATOM 649 C TRP A 46 3.412 -4.308 -0.867 1.00 0.00 C ATOM 650 O TRP A 46 2.755 -3.577 -0.124 1.00 0.00 O ATOM 651 CB TRP A 46 2.196 -6.493 -0.794 1.00 0.00 C ATOM 652 CG TRP A 46 2.326 -7.896 -1.305 1.00 0.00 C ATOM 653 CD1 TRP A 46 3.418 -8.710 -1.196 1.00 0.00 C ATOM 654 CD2 TRP A 46 1.331 -8.648 -2.008 1.00 0.00 C ATOM 655 NE1 TRP A 46 3.161 -9.923 -1.788 1.00 0.00 N ATOM 656 CE2 TRP A 46 1.887 -9.910 -2.293 1.00 0.00 C ATOM 657 CE3 TRP A 46 0.024 -8.379 -2.423 1.00 0.00 C ATOM 658 CZ2 TRP A 46 1.181 -10.898 -2.974 1.00 0.00 C ATOM 659 CZ3 TRP A 46 -0.676 -9.360 -3.099 1.00 0.00 C ATOM 660 CH2 TRP A 46 -0.097 -10.607 -3.368 1.00 0.00 C ATOM 0 H TRP A 46 3.398 -5.660 1.511 1.00 0.00 H new ATOM 0 HA TRP A 46 4.276 -6.220 -1.264 1.00 0.00 H new ATOM 0 HB2 TRP A 46 1.646 -6.506 0.147 1.00 0.00 H new ATOM 0 HB3 TRP A 46 1.605 -5.910 -1.500 1.00 0.00 H new ATOM 0 HD1 TRP A 46 4.347 -8.440 -0.715 1.00 0.00 H new ATOM 0 HE1 TRP A 46 3.813 -10.706 -1.843 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -0.431 -7.421 -2.219 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 1.626 -11.860 -3.184 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -1.686 -9.162 -3.425 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -0.671 -11.354 -3.897 1.00 0.00 H new ATOM 671 N TRP A 47 4.040 -3.863 -1.949 1.00 0.00 N ATOM 672 CA TRP A 47 3.993 -2.458 -2.336 1.00 0.00 C ATOM 673 C TRP A 47 2.766 -2.170 -3.193 1.00 0.00 C ATOM 674 O TRP A 47 2.559 -2.800 -4.229 1.00 0.00 O ATOM 675 CB TRP A 47 5.264 -2.075 -3.097 1.00 0.00 C ATOM 676 CG TRP A 47 5.311 -0.628 -3.484 1.00 0.00 C ATOM 677 CD1 TRP A 47 4.919 -0.085 -4.674 1.00 0.00 C ATOM 678 CD2 TRP A 47 5.779 0.460 -2.679 1.00 0.00 C ATOM 679 NE1 TRP A 47 5.115 1.275 -4.657 1.00 0.00 N ATOM 680 CE2 TRP A 47 5.640 1.634 -3.444 1.00 0.00 C ATOM 681 CE3 TRP A 47 6.299 0.556 -1.385 1.00 0.00 C ATOM 682 CZ2 TRP A 47 6.005 2.887 -2.957 1.00 0.00 C ATOM 683 CZ3 TRP A 47 6.660 1.800 -0.904 1.00 0.00 C ATOM 684 CH2 TRP A 47 6.511 2.952 -1.688 1.00 0.00 C ATOM 0 H TRP A 47 4.588 -4.455 -2.574 1.00 0.00 H new ATOM 0 HA TRP A 47 3.927 -1.859 -1.428 1.00 0.00 H new ATOM 0 HB2 TRP A 47 6.132 -2.307 -2.480 1.00 0.00 H new ATOM 0 HB3 TRP A 47 5.339 -2.687 -3.996 1.00 0.00 H new ATOM 0 HD1 TRP A 47 4.515 -0.642 -5.506 1.00 0.00 H new ATOM 0 HE1 TRP A 47 4.904 1.914 -5.424 1.00 0.00 H new ATOM 0 HE3 TRP A 47 6.416 -0.326 -0.773 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 5.892 3.776 -3.560 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 7.064 1.886 0.094 1.00 0.00 H new ATOM 0 HH2 TRP A 47 6.801 3.910 -1.282 1.00 0.00 H new ATOM 695 N GLY A 48 1.954 -1.212 -2.755 1.00 0.00 N ATOM 696 CA GLY A 48 0.757 -0.858 -3.495 1.00 0.00 C ATOM 697 C GLY A 48 0.861 0.507 -4.147 1.00 0.00 C ATOM 698 O GLY A 48 1.430 1.434 -3.571 1.00 0.00 O ATOM 0 H GLY A 48 2.104 -0.675 -1.901 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.572 -1.610 -4.262 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.100 -0.871 -2.822 1.00 0.00 H new ATOM 702 N GLN A 49 0.313 0.629 -5.351 1.00 0.00 N ATOM 703 CA GLN A 49 0.350 1.890 -6.082 1.00 0.00 C ATOM 704 C GLN A 49 -1.061 2.401 -6.356 1.00 0.00 C ATOM 705 O GLN A 49 -1.930 1.648 -6.797 1.00 0.00 O ATOM 706 CB GLN A 49 1.107 1.718 -7.400 1.00 0.00 C ATOM 707 CG GLN A 49 1.565 3.030 -8.014 1.00 0.00 C ATOM 708 CD GLN A 49 2.949 3.441 -7.549 1.00 0.00 C ATOM 709 OE1 GLN A 49 3.300 3.268 -6.381 1.00 0.00 O ATOM 710 NE2 GLN A 49 3.743 3.988 -8.461 1.00 0.00 N ATOM 0 H GLN A 49 -0.162 -0.129 -5.841 1.00 0.00 H new ATOM 0 HA GLN A 49 0.870 2.623 -5.466 1.00 0.00 H new ATOM 0 HB2 GLN A 49 1.976 1.083 -7.230 1.00 0.00 H new ATOM 0 HB3 GLN A 49 0.467 1.197 -8.112 1.00 0.00 H new ATOM 0 HG2 GLN A 49 1.563 2.939 -9.100 1.00 0.00 H new ATOM 0 HG3 GLN A 49 0.852 3.814 -7.759 1.00 0.00 H new ATOM 0 HE21 GLN A 49 3.411 4.112 -9.417 1.00 0.00 H new ATOM 0 HE22 GLN A 49 4.685 4.284 -8.205 1.00 0.00 H new ATOM 719 N ILE A 50 -1.281 3.685 -6.091 1.00 0.00 N ATOM 720 CA ILE A 50 -2.586 4.296 -6.310 1.00 0.00 C ATOM 721 C ILE A 50 -2.488 5.470 -7.279 1.00 0.00 C ATOM 722 O ILE A 50 -1.432 6.090 -7.414 1.00 0.00 O ATOM 723 CB ILE A 50 -3.207 4.786 -4.989 1.00 0.00 C ATOM 724 CG1 ILE A 50 -3.732 3.601 -4.176 1.00 0.00 C ATOM 725 CG2 ILE A 50 -4.323 5.783 -5.265 1.00 0.00 C ATOM 726 CD1 ILE A 50 -4.448 4.008 -2.907 1.00 0.00 C ATOM 0 H ILE A 50 -0.573 4.321 -5.725 1.00 0.00 H new ATOM 0 HA ILE A 50 -3.227 3.526 -6.740 1.00 0.00 H new ATOM 0 HB ILE A 50 -2.435 5.288 -4.406 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -4.413 3.018 -4.797 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -2.897 2.949 -3.919 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -4.752 6.120 -4.321 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -3.920 6.639 -5.807 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -5.097 5.305 -5.865 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -4.793 3.117 -2.382 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -3.764 4.565 -2.266 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -5.303 4.636 -3.157 1.00 0.00 H new ATOM 738 N ASP A 51 -3.594 5.771 -7.949 1.00 0.00 N ATOM 739 CA ASP A 51 -3.634 6.873 -8.903 1.00 0.00 C ATOM 740 C ASP A 51 -2.703 8.001 -8.470 1.00 0.00 C ATOM 741 O ASP A 51 -1.756 8.344 -9.178 1.00 0.00 O ATOM 742 CB ASP A 51 -5.063 7.401 -9.046 1.00 0.00 C ATOM 743 CG ASP A 51 -5.339 7.959 -10.428 1.00 0.00 C ATOM 744 OD1 ASP A 51 -4.532 8.783 -10.907 1.00 0.00 O ATOM 745 OD2 ASP A 51 -6.361 7.571 -11.031 1.00 0.00 O ATOM 0 H ASP A 51 -4.475 5.267 -7.849 1.00 0.00 H new ATOM 0 HA ASP A 51 -3.296 6.497 -9.869 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -5.767 6.596 -8.835 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -5.236 8.179 -8.302 1.00 0.00 H new ATOM 750 N ASP A 52 -2.980 8.575 -7.304 1.00 0.00 N ATOM 751 CA ASP A 52 -2.167 9.664 -6.776 1.00 0.00 C ATOM 752 C ASP A 52 -1.300 9.184 -5.616 1.00 0.00 C ATOM 753 O ASP A 52 -0.132 9.554 -5.507 1.00 0.00 O ATOM 754 CB ASP A 52 -3.059 10.819 -6.318 1.00 0.00 C ATOM 755 CG ASP A 52 -4.024 11.268 -7.397 1.00 0.00 C ATOM 756 OD1 ASP A 52 -3.579 11.952 -8.343 1.00 0.00 O ATOM 757 OD2 ASP A 52 -5.224 10.937 -7.296 1.00 0.00 O ATOM 0 H ASP A 52 -3.761 8.304 -6.707 1.00 0.00 H new ATOM 0 HA ASP A 52 -1.512 10.014 -7.574 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -3.622 10.512 -5.436 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -2.434 11.661 -6.020 1.00 0.00 H new ATOM 762 N GLU A 53 -1.882 8.357 -4.752 1.00 0.00 N ATOM 763 CA GLU A 53 -1.163 7.828 -3.600 1.00 0.00 C ATOM 764 C GLU A 53 -0.208 6.714 -4.019 1.00 0.00 C ATOM 765 O GLU A 53 -0.445 6.018 -5.006 1.00 0.00 O ATOM 766 CB GLU A 53 -2.148 7.303 -2.553 1.00 0.00 C ATOM 767 CG GLU A 53 -2.895 8.402 -1.815 1.00 0.00 C ATOM 768 CD GLU A 53 -3.493 7.924 -0.507 1.00 0.00 C ATOM 769 OE1 GLU A 53 -2.844 7.107 0.180 1.00 0.00 O ATOM 770 OE2 GLU A 53 -4.611 8.367 -0.170 1.00 0.00 O ATOM 0 H GLU A 53 -2.848 8.040 -4.829 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.579 8.639 -3.165 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.870 6.649 -3.042 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.606 6.694 -1.829 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -2.214 9.230 -1.618 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -3.689 8.788 -2.454 1.00 0.00 H new ATOM 777 N GLU A 54 0.873 6.552 -3.261 1.00 0.00 N ATOM 778 CA GLU A 54 1.864 5.524 -3.555 1.00 0.00 C ATOM 779 C GLU A 54 2.623 5.123 -2.294 1.00 0.00 C ATOM 780 O GLU A 54 3.200 5.967 -1.609 1.00 0.00 O ATOM 781 CB GLU A 54 2.846 6.020 -4.619 1.00 0.00 C ATOM 782 CG GLU A 54 2.182 6.396 -5.933 1.00 0.00 C ATOM 783 CD GLU A 54 3.136 7.076 -6.895 1.00 0.00 C ATOM 784 OE1 GLU A 54 4.197 6.489 -7.193 1.00 0.00 O ATOM 785 OE2 GLU A 54 2.820 8.195 -7.351 1.00 0.00 O ATOM 0 H GLU A 54 1.084 7.119 -2.440 1.00 0.00 H new ATOM 0 HA GLU A 54 1.339 4.648 -3.936 1.00 0.00 H new ATOM 0 HB2 GLU A 54 3.381 6.887 -4.231 1.00 0.00 H new ATOM 0 HB3 GLU A 54 3.588 5.244 -4.806 1.00 0.00 H new ATOM 0 HG2 GLU A 54 1.778 5.499 -6.401 1.00 0.00 H new ATOM 0 HG3 GLU A 54 1.340 7.058 -5.734 1.00 0.00 H new ATOM 792 N GLY A 55 2.617 3.828 -1.992 1.00 0.00 N ATOM 793 CA GLY A 55 3.307 3.338 -0.814 1.00 0.00 C ATOM 794 C GLY A 55 3.253 1.827 -0.697 1.00 0.00 C ATOM 795 O GLY A 55 3.326 1.118 -1.700 1.00 0.00 O ATOM 0 H GLY A 55 2.146 3.110 -2.543 1.00 0.00 H new ATOM 0 HA2 GLY A 55 4.348 3.660 -0.846 1.00 0.00 H new ATOM 0 HA3 GLY A 55 2.863 3.784 0.076 1.00 0.00 H new ATOM 799 N TRP A 56 3.126 1.335 0.530 1.00 0.00 N ATOM 800 CA TRP A 56 3.064 -0.101 0.775 1.00 0.00 C ATOM 801 C TRP A 56 1.908 -0.446 1.707 1.00 0.00 C ATOM 802 O TRP A 56 1.653 0.261 2.683 1.00 0.00 O ATOM 803 CB TRP A 56 4.383 -0.595 1.373 1.00 0.00 C ATOM 804 CG TRP A 56 5.086 0.441 2.197 1.00 0.00 C ATOM 805 CD1 TRP A 56 4.511 1.333 3.056 1.00 0.00 C ATOM 806 CD2 TRP A 56 6.495 0.692 2.238 1.00 0.00 C ATOM 807 NE1 TRP A 56 5.478 2.124 3.629 1.00 0.00 N ATOM 808 CE2 TRP A 56 6.703 1.750 3.144 1.00 0.00 C ATOM 809 CE3 TRP A 56 7.601 0.125 1.599 1.00 0.00 C ATOM 810 CZ2 TRP A 56 7.972 2.251 3.424 1.00 0.00 C ATOM 811 CZ3 TRP A 56 8.859 0.623 1.878 1.00 0.00 C ATOM 812 CH2 TRP A 56 9.036 1.677 2.784 1.00 0.00 C ATOM 0 H TRP A 56 3.064 1.909 1.371 1.00 0.00 H new ATOM 0 HA TRP A 56 2.897 -0.600 -0.180 1.00 0.00 H new ATOM 0 HB2 TRP A 56 4.188 -1.470 1.992 1.00 0.00 H new ATOM 0 HB3 TRP A 56 5.042 -0.916 0.566 1.00 0.00 H new ATOM 0 HD1 TRP A 56 3.452 1.406 3.256 1.00 0.00 H new ATOM 0 HE1 TRP A 56 5.310 2.869 4.306 1.00 0.00 H new ATOM 0 HE3 TRP A 56 7.474 -0.688 0.899 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 8.111 3.064 4.122 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 9.721 0.193 1.389 1.00 0.00 H new ATOM 0 HH2 TRP A 56 10.033 2.044 2.981 1.00 0.00 H new ATOM 823 N PHE A 57 1.212 -1.535 1.401 1.00 0.00 N ATOM 824 CA PHE A 57 0.081 -1.972 2.213 1.00 0.00 C ATOM 825 C PHE A 57 0.173 -3.466 2.513 1.00 0.00 C ATOM 826 O PHE A 57 0.755 -4.243 1.756 1.00 0.00 O ATOM 827 CB PHE A 57 -1.236 -1.665 1.498 1.00 0.00 C ATOM 828 CG PHE A 57 -1.479 -2.526 0.291 1.00 0.00 C ATOM 829 CD1 PHE A 57 -1.800 -3.866 0.433 1.00 0.00 C ATOM 830 CD2 PHE A 57 -1.385 -1.995 -0.985 1.00 0.00 C ATOM 831 CE1 PHE A 57 -2.025 -4.661 -0.675 1.00 0.00 C ATOM 832 CE2 PHE A 57 -1.608 -2.785 -2.097 1.00 0.00 C ATOM 833 CZ PHE A 57 -1.928 -4.119 -1.942 1.00 0.00 C ATOM 0 H PHE A 57 1.410 -2.131 0.598 1.00 0.00 H new ATOM 0 HA PHE A 57 0.110 -1.426 3.156 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -2.060 -1.796 2.199 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -1.240 -0.618 1.194 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -1.875 -4.295 1.421 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -1.135 -0.952 -1.112 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -2.276 -5.704 -0.551 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -1.532 -2.359 -3.087 1.00 0.00 H new ATOM 0 HZ PHE A 57 -2.102 -4.738 -2.810 1.00 0.00 H new ATOM 843 N PRO A 58 -0.415 -3.878 3.646 1.00 0.00 N ATOM 844 CA PRO A 58 -0.414 -5.280 4.074 1.00 0.00 C ATOM 845 C PRO A 58 -1.288 -6.158 3.185 1.00 0.00 C ATOM 846 O PRO A 58 -2.484 -5.908 3.033 1.00 0.00 O ATOM 847 CB PRO A 58 -0.986 -5.218 5.493 1.00 0.00 C ATOM 848 CG PRO A 58 -1.814 -3.980 5.514 1.00 0.00 C ATOM 849 CD PRO A 58 -1.127 -3.006 4.596 1.00 0.00 C ATOM 0 HA PRO A 58 0.581 -5.722 4.020 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -1.587 -6.100 5.717 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -0.192 -5.176 6.238 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -2.830 -4.184 5.176 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -1.889 -3.578 6.524 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -1.842 -2.358 4.089 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -0.440 -2.358 5.139 1.00 0.00 H new ATOM 857 N ALA A 59 -0.684 -7.187 2.600 1.00 0.00 N ATOM 858 CA ALA A 59 -1.409 -8.103 1.729 1.00 0.00 C ATOM 859 C ALA A 59 -2.416 -8.931 2.519 1.00 0.00 C ATOM 860 O ALA A 59 -3.155 -9.735 1.951 1.00 0.00 O ATOM 861 CB ALA A 59 -0.436 -9.013 0.994 1.00 0.00 C ATOM 0 H ALA A 59 0.306 -7.407 2.714 1.00 0.00 H new ATOM 0 HA ALA A 59 -1.959 -7.511 0.998 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.991 -9.692 0.347 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.242 -8.409 0.390 1.00 0.00 H new ATOM 0 HB3 ALA A 59 0.139 -9.590 1.718 1.00 0.00 H new ATOM 867 N SER A 60 -2.440 -8.730 3.833 1.00 0.00 N ATOM 868 CA SER A 60 -3.354 -9.462 4.702 1.00 0.00 C ATOM 869 C SER A 60 -4.699 -8.748 4.800 1.00 0.00 C ATOM 870 O SER A 60 -5.733 -9.376 5.030 1.00 0.00 O ATOM 871 CB SER A 60 -2.747 -9.623 6.096 1.00 0.00 C ATOM 872 OG SER A 60 -1.978 -10.810 6.183 1.00 0.00 O ATOM 0 H SER A 60 -1.837 -8.066 4.319 1.00 0.00 H new ATOM 0 HA SER A 60 -3.516 -10.449 4.268 1.00 0.00 H new ATOM 0 HB2 SER A 60 -2.119 -8.762 6.324 1.00 0.00 H new ATOM 0 HB3 SER A 60 -3.542 -9.645 6.842 1.00 0.00 H new ATOM 0 HG SER A 60 -1.599 -10.889 7.083 1.00 0.00 H new ATOM 878 N PHE A 61 -4.677 -7.431 4.623 1.00 0.00 N ATOM 879 CA PHE A 61 -5.894 -6.630 4.692 1.00 0.00 C ATOM 880 C PHE A 61 -6.387 -6.269 3.294 1.00 0.00 C ATOM 881 O PHE A 61 -6.749 -5.123 3.028 1.00 0.00 O ATOM 882 CB PHE A 61 -5.645 -5.356 5.503 1.00 0.00 C ATOM 883 CG PHE A 61 -5.905 -5.521 6.973 1.00 0.00 C ATOM 884 CD1 PHE A 61 -5.493 -6.664 7.639 1.00 0.00 C ATOM 885 CD2 PHE A 61 -6.560 -4.533 7.689 1.00 0.00 C ATOM 886 CE1 PHE A 61 -5.731 -6.819 8.991 1.00 0.00 C ATOM 887 CE2 PHE A 61 -6.801 -4.681 9.042 1.00 0.00 C ATOM 888 CZ PHE A 61 -6.385 -5.826 9.694 1.00 0.00 C ATOM 0 H PHE A 61 -3.830 -6.896 4.431 1.00 0.00 H new ATOM 0 HA PHE A 61 -6.663 -7.223 5.187 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -4.612 -5.039 5.358 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -6.281 -4.559 5.117 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -4.980 -7.443 7.095 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -6.887 -3.636 7.184 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -5.406 -7.716 9.498 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -7.313 -3.903 9.589 1.00 0.00 H new ATOM 0 HZ PHE A 61 -6.571 -5.944 10.751 1.00 0.00 H new ATOM 898 N VAL A 62 -6.398 -7.256 2.404 1.00 0.00 N ATOM 899 CA VAL A 62 -6.848 -7.043 1.033 1.00 0.00 C ATOM 900 C VAL A 62 -7.285 -8.354 0.389 1.00 0.00 C ATOM 901 O VAL A 62 -6.690 -9.404 0.629 1.00 0.00 O ATOM 902 CB VAL A 62 -5.741 -6.405 0.172 1.00 0.00 C ATOM 903 CG1 VAL A 62 -5.155 -5.189 0.872 1.00 0.00 C ATOM 904 CG2 VAL A 62 -4.657 -7.424 -0.142 1.00 0.00 C ATOM 0 H VAL A 62 -6.101 -8.210 2.607 1.00 0.00 H new ATOM 0 HA VAL A 62 -7.699 -6.363 1.080 1.00 0.00 H new ATOM 0 HB VAL A 62 -6.181 -6.075 -0.769 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -4.375 -4.752 0.249 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -5.941 -4.452 1.040 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -4.729 -5.490 1.829 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -3.883 -6.956 -0.751 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -4.218 -7.786 0.788 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -5.092 -8.261 -0.688 1.00 0.00 H new ATOM 914 N ARG A 63 -8.329 -8.284 -0.431 1.00 0.00 N ATOM 915 CA ARG A 63 -8.847 -9.466 -1.110 1.00 0.00 C ATOM 916 C ARG A 63 -8.424 -9.480 -2.576 1.00 0.00 C ATOM 917 O ARG A 63 -8.736 -8.558 -3.332 1.00 0.00 O ATOM 918 CB ARG A 63 -10.373 -9.511 -1.008 1.00 0.00 C ATOM 919 CG ARG A 63 -11.044 -8.183 -1.319 1.00 0.00 C ATOM 920 CD ARG A 63 -12.545 -8.346 -1.497 1.00 0.00 C ATOM 921 NE ARG A 63 -13.262 -8.232 -0.230 1.00 0.00 N ATOM 922 CZ ARG A 63 -14.490 -8.700 -0.035 1.00 0.00 C ATOM 923 NH1 ARG A 63 -15.133 -9.311 -1.020 1.00 0.00 N ATOM 924 NH2 ARG A 63 -15.075 -8.558 1.147 1.00 0.00 N ATOM 0 H ARG A 63 -8.832 -7.422 -0.641 1.00 0.00 H new ATOM 0 HA ARG A 63 -8.431 -10.347 -0.621 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -10.752 -10.269 -1.693 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -10.652 -9.823 -0.002 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -10.847 -7.477 -0.513 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -10.613 -7.760 -2.226 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -12.912 -7.589 -2.191 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -12.753 -9.317 -1.945 1.00 0.00 H new ATOM 0 HE ARG A 63 -12.794 -7.767 0.548 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -14.685 -9.423 -1.930 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -16.076 -9.670 -0.868 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -14.582 -8.089 1.907 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -16.018 -8.918 1.296 1.00 0.00 H new ATOM 938 N LEU A 64 -7.713 -10.530 -2.971 1.00 0.00 N ATOM 939 CA LEU A 64 -7.246 -10.664 -4.347 1.00 0.00 C ATOM 940 C LEU A 64 -8.385 -11.087 -5.269 1.00 0.00 C ATOM 941 O LEU A 64 -9.368 -11.681 -4.826 1.00 0.00 O ATOM 942 CB LEU A 64 -6.107 -11.682 -4.423 1.00 0.00 C ATOM 943 CG LEU A 64 -4.739 -11.197 -3.942 1.00 0.00 C ATOM 944 CD1 LEU A 64 -3.821 -12.377 -3.664 1.00 0.00 C ATOM 945 CD2 LEU A 64 -4.114 -10.262 -4.968 1.00 0.00 C ATOM 0 H LEU A 64 -7.447 -11.301 -2.358 1.00 0.00 H new ATOM 0 HA LEU A 64 -6.878 -9.692 -4.677 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -6.388 -12.556 -3.835 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.010 -12.012 -5.457 1.00 0.00 H new ATOM 0 HG LEU A 64 -4.877 -10.644 -3.013 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.852 -12.012 -3.323 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.263 -13.008 -2.893 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.689 -12.958 -4.577 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -3.141 -9.926 -4.609 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.990 -10.790 -5.913 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.763 -9.399 -5.117 1.00 0.00 H new ATOM 957 N TRP A 65 -8.244 -10.780 -6.554 1.00 0.00 N ATOM 958 CA TRP A 65 -9.260 -11.131 -7.539 1.00 0.00 C ATOM 959 C TRP A 65 -9.073 -12.563 -8.028 1.00 0.00 C ATOM 960 O TRP A 65 -9.346 -12.875 -9.187 1.00 0.00 O ATOM 961 CB TRP A 65 -9.207 -10.164 -8.723 1.00 0.00 C ATOM 962 CG TRP A 65 -9.621 -8.768 -8.369 1.00 0.00 C ATOM 963 CD1 TRP A 65 -10.500 -8.397 -7.392 1.00 0.00 C ATOM 964 CD2 TRP A 65 -9.173 -7.558 -8.990 1.00 0.00 C ATOM 965 NE1 TRP A 65 -10.626 -7.028 -7.368 1.00 0.00 N ATOM 966 CE2 TRP A 65 -9.821 -6.491 -8.338 1.00 0.00 C ATOM 967 CE3 TRP A 65 -8.286 -7.272 -10.031 1.00 0.00 C ATOM 968 CZ2 TRP A 65 -9.610 -5.162 -8.696 1.00 0.00 C ATOM 969 CZ3 TRP A 65 -8.078 -5.953 -10.385 1.00 0.00 C ATOM 970 CH2 TRP A 65 -8.736 -4.911 -9.719 1.00 0.00 C ATOM 0 H TRP A 65 -7.436 -10.289 -6.937 1.00 0.00 H new ATOM 0 HA TRP A 65 -10.236 -11.055 -7.060 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -8.193 -10.144 -9.122 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -9.854 -10.537 -9.517 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -11.020 -9.079 -6.735 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -11.222 -6.498 -6.732 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -7.772 -8.068 -10.550 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -10.118 -4.358 -8.185 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -7.396 -5.721 -11.190 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -8.550 -3.890 -10.018 1.00 0.00 H new