USER MOD reduce.3.24.130724 H: found=0, std=0, add=254, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 256 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 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= -0.177 K(o=-0.18,f=-1.3!) USER MOD Single : A 22 GLN : amide:sc=-0.00668 X(o=-0.0067,f=-0.074) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 8 N ILE A 2 -25.319 1.410 -6.219 1.00 72.34 N ATOM 9 CA ILE A 2 -24.947 1.605 -4.829 1.00 45.51 C ATOM 10 C ILE A 2 -23.864 0.594 -4.447 1.00 2.33 C ATOM 11 O ILE A 2 -23.579 0.400 -3.266 1.00 13.24 O ATOM 12 CB ILE A 2 -26.184 1.551 -3.929 1.00 14.05 C ATOM 13 CG1 ILE A 2 -26.718 0.121 -3.818 1.00 13.51 C ATOM 14 CG2 ILE A 2 -27.257 2.527 -4.413 1.00 25.21 C ATOM 15 CD1 ILE A 2 -26.810 -0.317 -2.356 1.00 60.23 C ATOM 0 HA ILE A 2 -24.521 2.598 -4.686 1.00 45.51 H new ATOM 0 HB ILE A 2 -25.892 1.865 -2.927 1.00 14.05 H new ATOM 0 HG12 ILE A 2 -27.702 0.059 -4.283 1.00 13.51 H new ATOM 0 HG13 ILE A 2 -26.064 -0.559 -4.365 1.00 13.51 H new ATOM 0 HG21 ILE A 2 -28.125 2.469 -3.756 1.00 25.21 H new ATOM 0 HG22 ILE A 2 -26.859 3.542 -4.399 1.00 25.21 H new ATOM 0 HG23 ILE A 2 -27.553 2.267 -5.429 1.00 25.21 H new ATOM 0 HD11 ILE A 2 -27.192 -1.337 -2.305 1.00 60.23 H new ATOM 0 HD12 ILE A 2 -25.820 -0.277 -1.901 1.00 60.23 H new ATOM 0 HD13 ILE A 2 -27.483 0.350 -1.818 1.00 60.23 H new ATOM 27 N GLY A 3 -23.291 -0.024 -5.469 1.00 13.33 N ATOM 28 CA GLY A 3 -22.245 -1.011 -5.255 1.00 24.44 C ATOM 29 C GLY A 3 -20.881 -0.338 -5.091 1.00 62.30 C ATOM 30 O GLY A 3 -19.861 -1.015 -4.974 1.00 21.33 O ATOM 0 H GLY A 3 -23.531 0.139 -6.447 1.00 13.33 H new ATOM 0 HA2 GLY A 3 -22.473 -1.601 -4.367 1.00 24.44 H new ATOM 0 HA3 GLY A 3 -22.214 -1.702 -6.097 1.00 24.44 H new ATOM 34 N ALA A 4 -20.908 0.987 -5.087 1.00 10.15 N ATOM 35 CA ALA A 4 -19.685 1.759 -4.939 1.00 4.02 C ATOM 36 C ALA A 4 -19.385 1.949 -3.450 1.00 30.44 C ATOM 37 O ALA A 4 -18.297 2.392 -3.085 1.00 64.51 O ATOM 38 CB ALA A 4 -19.830 3.090 -5.679 1.00 42.31 C ATOM 0 H ALA A 4 -21.756 1.545 -5.184 1.00 10.15 H new ATOM 0 HA ALA A 4 -18.840 1.230 -5.381 1.00 4.02 H new ATOM 0 HB1 ALA A 4 -18.913 3.669 -5.569 1.00 42.31 H new ATOM 0 HB2 ALA A 4 -20.014 2.900 -6.736 1.00 42.31 H new ATOM 0 HB3 ALA A 4 -20.666 3.650 -5.260 1.00 42.31 H new ATOM 44 N LEU A 5 -20.369 1.604 -2.632 1.00 11.33 N ATOM 45 CA LEU A 5 -20.223 1.731 -1.193 1.00 53.42 C ATOM 46 C LEU A 5 -19.250 0.665 -0.687 1.00 62.13 C ATOM 47 O LEU A 5 -18.348 0.963 0.096 1.00 34.43 O ATOM 48 CB LEU A 5 -21.591 1.689 -0.510 1.00 73.53 C ATOM 49 CG LEU A 5 -22.032 2.976 0.189 1.00 61.05 C ATOM 50 CD1 LEU A 5 -22.270 4.097 -0.824 1.00 10.51 C ATOM 51 CD2 LEU A 5 -23.260 2.730 1.070 1.00 20.12 C ATOM 0 H LEU A 5 -21.270 1.237 -2.939 1.00 11.33 H new ATOM 0 HA LEU A 5 -19.795 2.700 -0.938 1.00 53.42 H new ATOM 0 HB2 LEU A 5 -22.340 1.430 -1.258 1.00 73.53 H new ATOM 0 HB3 LEU A 5 -21.583 0.884 0.225 1.00 73.53 H new ATOM 0 HG LEU A 5 -21.225 3.301 0.845 1.00 61.05 H new ATOM 0 HD11 LEU A 5 -22.583 5.000 -0.300 1.00 10.51 H new ATOM 0 HD12 LEU A 5 -21.348 4.295 -1.371 1.00 10.51 H new ATOM 0 HD13 LEU A 5 -23.049 3.795 -1.524 1.00 10.51 H new ATOM 0 HD21 LEU A 5 -23.552 3.661 1.555 1.00 20.12 H new ATOM 0 HD22 LEU A 5 -24.083 2.368 0.454 1.00 20.12 H new ATOM 0 HD23 LEU A 5 -23.020 1.985 1.829 1.00 20.12 H new ATOM 63 N PHE A 6 -19.465 -0.557 -1.153 1.00 12.24 N ATOM 64 CA PHE A 6 -18.618 -1.669 -0.758 1.00 60.42 C ATOM 65 C PHE A 6 -17.310 -1.672 -1.552 1.00 22.05 C ATOM 66 O PHE A 6 -16.238 -1.880 -0.987 1.00 42.23 O ATOM 67 CB PHE A 6 -19.392 -2.952 -1.068 1.00 1.14 C ATOM 68 CG PHE A 6 -18.907 -3.684 -2.322 1.00 44.22 C ATOM 69 CD1 PHE A 6 -17.715 -4.337 -2.310 1.00 72.34 C ATOM 70 CD2 PHE A 6 -19.669 -3.680 -3.449 1.00 4.43 C ATOM 71 CE1 PHE A 6 -17.265 -5.016 -3.474 1.00 63.34 C ATOM 72 CE2 PHE A 6 -19.219 -4.357 -4.612 1.00 32.53 C ATOM 73 CZ PHE A 6 -18.026 -5.012 -4.600 1.00 23.11 C ATOM 0 H PHE A 6 -20.214 -0.801 -1.801 1.00 12.24 H new ATOM 0 HA PHE A 6 -18.369 -1.589 0.300 1.00 60.42 H new ATOM 0 HB2 PHE A 6 -19.316 -3.625 -0.214 1.00 1.14 H new ATOM 0 HB3 PHE A 6 -20.447 -2.707 -1.188 1.00 1.14 H new ATOM 0 HD1 PHE A 6 -17.110 -4.340 -1.415 1.00 72.34 H new ATOM 0 HD2 PHE A 6 -20.616 -3.162 -3.458 1.00 4.43 H new ATOM 0 HE1 PHE A 6 -16.318 -5.535 -3.464 1.00 63.34 H new ATOM 0 HE2 PHE A 6 -19.823 -4.353 -5.507 1.00 32.53 H new ATOM 0 HZ PHE A 6 -17.684 -5.528 -5.485 1.00 23.11 H new ATOM 83 N LEU A 7 -17.442 -1.438 -2.849 1.00 21.21 N ATOM 84 CA LEU A 7 -16.284 -1.410 -3.727 1.00 52.13 C ATOM 85 C LEU A 7 -15.322 -0.317 -3.260 1.00 1.43 C ATOM 86 O LEU A 7 -14.107 -0.504 -3.278 1.00 34.12 O ATOM 87 CB LEU A 7 -16.720 -1.264 -5.185 1.00 31.41 C ATOM 88 CG LEU A 7 -15.686 -1.667 -6.239 1.00 40.23 C ATOM 89 CD1 LEU A 7 -14.461 -0.752 -6.182 1.00 64.11 C ATOM 90 CD2 LEU A 7 -15.305 -3.142 -6.097 1.00 31.20 C ATOM 0 H LEU A 7 -18.334 -1.266 -3.314 1.00 21.21 H new ATOM 0 HA LEU A 7 -15.743 -2.355 -3.674 1.00 52.13 H new ATOM 0 HB2 LEU A 7 -17.617 -1.864 -5.337 1.00 31.41 H new ATOM 0 HB3 LEU A 7 -16.999 -0.225 -5.358 1.00 31.41 H new ATOM 0 HG LEU A 7 -16.136 -1.543 -7.224 1.00 40.23 H new ATOM 0 HD11 LEU A 7 -13.742 -1.060 -6.941 1.00 64.11 H new ATOM 0 HD12 LEU A 7 -14.767 0.278 -6.368 1.00 64.11 H new ATOM 0 HD13 LEU A 7 -14.001 -0.821 -5.196 1.00 64.11 H new ATOM 0 HD21 LEU A 7 -14.569 -3.403 -6.858 1.00 31.20 H new ATOM 0 HD22 LEU A 7 -14.881 -3.315 -5.108 1.00 31.20 H new ATOM 0 HD23 LEU A 7 -16.193 -3.761 -6.224 1.00 31.20 H new ATOM 102 N GLY A 8 -15.902 0.802 -2.852 1.00 4.24 N ATOM 103 CA GLY A 8 -15.111 1.927 -2.381 1.00 63.30 C ATOM 104 C GLY A 8 -14.439 1.604 -1.046 1.00 55.12 C ATOM 105 O GLY A 8 -13.253 1.871 -0.863 1.00 12.33 O ATOM 0 H GLY A 8 -16.910 0.954 -2.838 1.00 4.24 H new ATOM 0 HA2 GLY A 8 -14.353 2.179 -3.122 1.00 63.30 H new ATOM 0 HA3 GLY A 8 -15.750 2.803 -2.268 1.00 63.30 H new ATOM 109 N PHE A 9 -15.227 1.033 -0.146 1.00 34.22 N ATOM 110 CA PHE A 9 -14.722 0.670 1.168 1.00 23.50 C ATOM 111 C PHE A 9 -13.402 -0.095 1.055 1.00 44.23 C ATOM 112 O PHE A 9 -12.459 0.174 1.800 1.00 62.41 O ATOM 113 CB PHE A 9 -15.770 -0.239 1.814 1.00 4.15 C ATOM 114 CG PHE A 9 -15.692 -0.290 3.341 1.00 41.21 C ATOM 115 CD1 PHE A 9 -16.672 -0.911 4.052 1.00 5.24 C ATOM 116 CD2 PHE A 9 -14.642 0.284 3.988 1.00 4.30 C ATOM 117 CE1 PHE A 9 -16.599 -0.958 5.469 1.00 11.21 C ATOM 118 CE2 PHE A 9 -14.570 0.236 5.405 1.00 51.32 C ATOM 119 CZ PHE A 9 -15.550 -0.385 6.116 1.00 2.33 C ATOM 0 H PHE A 9 -16.211 0.813 -0.301 1.00 34.22 H new ATOM 0 HA PHE A 9 -14.542 1.568 1.759 1.00 23.50 H new ATOM 0 HB2 PHE A 9 -16.763 0.104 1.522 1.00 4.15 H new ATOM 0 HB3 PHE A 9 -15.653 -1.249 1.420 1.00 4.15 H new ATOM 0 HD1 PHE A 9 -17.505 -1.368 3.539 1.00 5.24 H new ATOM 0 HD2 PHE A 9 -13.863 0.776 3.424 1.00 4.30 H new ATOM 0 HE1 PHE A 9 -17.378 -1.449 6.033 1.00 11.21 H new ATOM 0 HE2 PHE A 9 -13.737 0.693 5.919 1.00 51.32 H new ATOM 0 HZ PHE A 9 -15.494 -0.423 7.194 1.00 2.33 H new ATOM 129 N LEU A 10 -13.375 -1.033 0.120 1.00 23.31 N ATOM 130 CA LEU A 10 -12.186 -1.838 -0.098 1.00 20.51 C ATOM 131 C LEU A 10 -11.147 -1.010 -0.857 1.00 52.45 C ATOM 132 O LEU A 10 -9.946 -1.161 -0.635 1.00 5.02 O ATOM 133 CB LEU A 10 -12.549 -3.153 -0.792 1.00 65.14 C ATOM 134 CG LEU A 10 -12.346 -3.191 -2.307 1.00 12.45 C ATOM 135 CD1 LEU A 10 -10.893 -3.519 -2.658 1.00 11.33 C ATOM 136 CD2 LEU A 10 -13.327 -4.160 -2.969 1.00 23.01 C ATOM 0 H LEU A 10 -14.158 -1.253 -0.495 1.00 23.31 H new ATOM 0 HA LEU A 10 -11.737 -2.120 0.854 1.00 20.51 H new ATOM 0 HB2 LEU A 10 -11.956 -3.952 -0.346 1.00 65.14 H new ATOM 0 HB3 LEU A 10 -13.595 -3.376 -0.580 1.00 65.14 H new ATOM 0 HG LEU A 10 -12.558 -2.198 -2.704 1.00 12.45 H new ATOM 0 HD11 LEU A 10 -10.776 -3.540 -3.742 1.00 11.33 H new ATOM 0 HD12 LEU A 10 -10.236 -2.758 -2.237 1.00 11.33 H new ATOM 0 HD13 LEU A 10 -10.630 -4.493 -2.246 1.00 11.33 H new ATOM 0 HD21 LEU A 10 -13.160 -4.167 -4.046 1.00 23.01 H new ATOM 0 HD22 LEU A 10 -13.172 -5.163 -2.571 1.00 23.01 H new ATOM 0 HD23 LEU A 10 -14.349 -3.841 -2.762 1.00 23.01 H new ATOM 148 N GLY A 11 -11.646 -0.154 -1.735 1.00 12.13 N ATOM 149 CA GLY A 11 -10.776 0.698 -2.527 1.00 2.02 C ATOM 150 C GLY A 11 -9.800 1.467 -1.634 1.00 54.21 C ATOM 151 O GLY A 11 -8.707 1.830 -2.070 1.00 72.54 O ATOM 0 H GLY A 11 -12.642 -0.032 -1.916 1.00 12.13 H new ATOM 0 HA2 GLY A 11 -10.220 0.092 -3.242 1.00 2.02 H new ATOM 0 HA3 GLY A 11 -11.377 1.401 -3.105 1.00 2.02 H new ATOM 155 N ALA A 12 -10.228 1.693 -0.401 1.00 55.11 N ATOM 156 CA ALA A 12 -9.405 2.411 0.558 1.00 22.35 C ATOM 157 C ALA A 12 -8.271 1.501 1.032 1.00 10.44 C ATOM 158 O ALA A 12 -7.128 1.941 1.156 1.00 32.43 O ATOM 159 CB ALA A 12 -10.279 2.904 1.713 1.00 34.14 C ATOM 0 H ALA A 12 -11.134 1.392 -0.043 1.00 55.11 H new ATOM 0 HA ALA A 12 -8.952 3.288 0.095 1.00 22.35 H new ATOM 0 HB1 ALA A 12 -9.662 3.442 2.432 1.00 34.14 H new ATOM 0 HB2 ALA A 12 -11.051 3.570 1.327 1.00 34.14 H new ATOM 0 HB3 ALA A 12 -10.748 2.051 2.204 1.00 34.14 H new ATOM 165 N ALA A 13 -8.624 0.250 1.284 1.00 74.14 N ATOM 166 CA ALA A 13 -7.649 -0.726 1.743 1.00 5.03 C ATOM 167 C ALA A 13 -6.566 -0.898 0.675 1.00 43.15 C ATOM 168 O ALA A 13 -5.435 -1.266 0.988 1.00 54.12 O ATOM 169 CB ALA A 13 -8.358 -2.041 2.071 1.00 25.33 C ATOM 0 H ALA A 13 -9.572 -0.111 1.179 1.00 74.14 H new ATOM 0 HA ALA A 13 -7.162 -0.382 2.655 1.00 5.03 H new ATOM 0 HB1 ALA A 13 -7.627 -2.773 2.415 1.00 25.33 H new ATOM 0 HB2 ALA A 13 -9.097 -1.871 2.854 1.00 25.33 H new ATOM 0 HB3 ALA A 13 -8.856 -2.418 1.178 1.00 25.33 H new ATOM 175 N GLY A 14 -6.951 -0.623 -0.562 1.00 41.50 N ATOM 176 CA GLY A 14 -6.027 -0.743 -1.677 1.00 4.22 C ATOM 177 C GLY A 14 -4.898 0.284 -1.567 1.00 44.43 C ATOM 178 O GLY A 14 -3.724 -0.080 -1.529 1.00 31.24 O ATOM 0 H GLY A 14 -7.890 -0.317 -0.817 1.00 41.50 H new ATOM 0 HA2 GLY A 14 -5.607 -1.749 -1.700 1.00 4.22 H new ATOM 0 HA3 GLY A 14 -6.563 -0.600 -2.615 1.00 4.22 H new ATOM 182 N SER A 15 -5.294 1.548 -1.517 1.00 61.42 N ATOM 183 CA SER A 15 -4.330 2.630 -1.412 1.00 64.03 C ATOM 184 C SER A 15 -3.536 2.498 -0.111 1.00 13.40 C ATOM 185 O SER A 15 -2.312 2.381 -0.137 1.00 54.51 O ATOM 186 CB SER A 15 -5.024 3.993 -1.474 1.00 51.41 C ATOM 187 OG SER A 15 -4.927 4.583 -2.767 1.00 71.00 O ATOM 0 H SER A 15 -6.269 1.846 -1.547 1.00 61.42 H new ATOM 0 HA SER A 15 -3.645 2.562 -2.257 1.00 64.03 H new ATOM 0 HB2 SER A 15 -6.074 3.878 -1.206 1.00 51.41 H new ATOM 0 HB3 SER A 15 -4.578 4.661 -0.737 1.00 51.41 H new ATOM 0 HG SER A 15 -5.383 5.450 -2.766 1.00 71.00 H new ATOM 193 N LYS A 16 -4.264 2.521 0.995 1.00 45.43 N ATOM 194 CA LYS A 16 -3.641 2.406 2.304 1.00 30.22 C ATOM 195 C LYS A 16 -2.673 1.221 2.300 1.00 1.44 C ATOM 196 O LYS A 16 -1.460 1.407 2.392 1.00 45.32 O ATOM 197 CB LYS A 16 -4.707 2.325 3.398 1.00 61.32 C ATOM 198 CG LYS A 16 -4.107 1.817 4.711 1.00 74.14 C ATOM 199 CD LYS A 16 -4.937 2.280 5.910 1.00 1.25 C ATOM 200 CE LYS A 16 -4.056 2.472 7.145 1.00 2.31 C ATOM 201 NZ LYS A 16 -4.309 3.793 7.763 1.00 31.44 N ATOM 0 H LYS A 16 -5.279 2.618 1.013 1.00 45.43 H new ATOM 0 HA LYS A 16 -3.054 3.297 2.527 1.00 30.22 H new ATOM 0 HB2 LYS A 16 -5.150 3.309 3.553 1.00 61.32 H new ATOM 0 HB3 LYS A 16 -5.510 1.660 3.080 1.00 61.32 H new ATOM 0 HG2 LYS A 16 -4.060 0.728 4.696 1.00 74.14 H new ATOM 0 HG3 LYS A 16 -3.084 2.179 4.811 1.00 74.14 H new ATOM 0 HD2 LYS A 16 -5.440 3.216 5.669 1.00 1.25 H new ATOM 0 HD3 LYS A 16 -5.714 1.546 6.124 1.00 1.25 H new ATOM 0 HE2 LYS A 16 -4.256 1.681 7.868 1.00 2.31 H new ATOM 0 HE3 LYS A 16 -3.006 2.390 6.866 1.00 2.31 H new ATOM 0 HZ1 LYS A 16 -3.702 3.907 8.600 1.00 31.44 H new ATOM 0 HZ2 LYS A 16 -4.095 4.544 7.076 1.00 31.44 H new ATOM 0 HZ3 LYS A 16 -5.307 3.858 8.048 1.00 31.44 H new ATOM 214 N LYS A 17 -3.244 0.031 2.190 1.00 71.14 N ATOM 215 CA LYS A 17 -2.446 -1.183 2.174 1.00 33.13 C ATOM 216 C LYS A 17 -1.795 -1.341 0.798 1.00 23.21 C ATOM 217 O LYS A 17 -2.169 -2.226 0.029 1.00 34.21 O ATOM 218 CB LYS A 17 -3.291 -2.386 2.597 1.00 13.13 C ATOM 219 CG LYS A 17 -2.504 -3.308 3.531 1.00 30.32 C ATOM 220 CD LYS A 17 -2.497 -2.762 4.960 1.00 74.20 C ATOM 221 CE LYS A 17 -3.557 -3.456 5.817 1.00 24.22 C ATOM 222 NZ LYS A 17 -3.198 -3.379 7.250 1.00 44.21 N ATOM 0 H LYS A 17 -4.250 -0.119 2.111 1.00 71.14 H new ATOM 0 HA LYS A 17 -1.639 -1.118 2.904 1.00 33.13 H new ATOM 0 HB2 LYS A 17 -4.196 -2.041 3.098 1.00 13.13 H new ATOM 0 HB3 LYS A 17 -3.607 -2.941 1.714 1.00 13.13 H new ATOM 0 HG2 LYS A 17 -2.945 -4.305 3.521 1.00 30.32 H new ATOM 0 HG3 LYS A 17 -1.480 -3.409 3.171 1.00 30.32 H new ATOM 0 HD2 LYS A 17 -1.512 -2.908 5.404 1.00 74.20 H new ATOM 0 HD3 LYS A 17 -2.683 -1.688 4.944 1.00 74.20 H new ATOM 0 HE2 LYS A 17 -4.528 -2.988 5.654 1.00 24.22 H new ATOM 0 HE3 LYS A 17 -3.651 -4.499 5.515 1.00 24.22 H new ATOM 0 HZ1 LYS A 17 -3.928 -3.855 7.817 1.00 44.21 H new ATOM 0 HZ2 LYS A 17 -2.281 -3.846 7.404 1.00 44.21 H new ATOM 0 HZ3 LYS A 17 -3.131 -2.382 7.538 1.00 44.21 H new ATOM 254 N LYS A 19 3.551 -4.684 -2.089 1.00 3.41 N ATOM 255 CA LYS A 19 2.423 -5.599 -2.127 1.00 13.32 C ATOM 256 C LYS A 19 2.846 -6.947 -1.540 1.00 35.32 C ATOM 257 O LYS A 19 4.033 -7.193 -1.334 1.00 42.14 O ATOM 258 CB LYS A 19 1.860 -5.695 -3.546 1.00 31.31 C ATOM 259 CG LYS A 19 1.704 -4.306 -4.169 1.00 15.05 C ATOM 260 CD LYS A 19 0.616 -4.306 -5.245 1.00 14.01 C ATOM 261 CE LYS A 19 0.524 -2.943 -5.932 1.00 0.44 C ATOM 262 NZ LYS A 19 -0.194 -3.060 -7.221 1.00 13.25 N ATOM 0 HA LYS A 19 1.607 -5.224 -1.510 1.00 13.32 H new ATOM 0 HB2 LYS A 19 2.522 -6.302 -4.163 1.00 31.31 H new ATOM 0 HB3 LYS A 19 0.893 -6.198 -3.524 1.00 31.31 H new ATOM 0 HG2 LYS A 19 1.454 -3.582 -3.394 1.00 15.05 H new ATOM 0 HG3 LYS A 19 2.652 -3.991 -4.605 1.00 15.05 H new ATOM 0 HD2 LYS A 19 0.832 -5.076 -5.985 1.00 14.01 H new ATOM 0 HD3 LYS A 19 -0.345 -4.556 -4.795 1.00 14.01 H new ATOM 0 HE2 LYS A 19 0.006 -2.236 -5.283 1.00 0.44 H new ATOM 0 HE3 LYS A 19 1.525 -2.546 -6.101 1.00 0.44 H new ATOM 0 HZ1 LYS A 19 -0.248 -2.126 -7.675 1.00 13.25 H new ATOM 0 HZ2 LYS A 19 0.316 -3.718 -7.844 1.00 13.25 H new ATOM 0 HZ3 LYS A 19 -1.156 -3.418 -7.052 1.00 13.25 H new ATOM 275 N ASN A 20 1.850 -7.785 -1.289 1.00 51.21 N ATOM 276 CA ASN A 20 2.105 -9.102 -0.730 1.00 63.24 C ATOM 277 C ASN A 20 1.194 -10.124 -1.413 1.00 54.14 C ATOM 278 O ASN A 20 0.500 -9.799 -2.375 1.00 33.33 O ATOM 279 CB ASN A 20 1.805 -9.131 0.770 1.00 41.30 C ATOM 280 CG ASN A 20 3.096 -9.046 1.588 1.00 61.41 C ATOM 281 OD1 ASN A 20 4.141 -9.543 1.201 1.00 21.42 O ATOM 282 ND2 ASN A 20 2.965 -8.390 2.738 1.00 54.10 N ATOM 0 H ASN A 20 0.866 -7.578 -1.462 1.00 51.21 H new ATOM 0 HA ASN A 20 3.156 -9.340 -0.892 1.00 63.24 H new ATOM 0 HB2 ASN A 20 1.150 -8.299 1.030 1.00 41.30 H new ATOM 0 HB3 ASN A 20 1.271 -10.048 1.020 1.00 41.30 H new ATOM 0 HD21 ASN A 20 3.769 -8.279 3.356 1.00 54.10 H new ATOM 0 HD22 ASN A 20 2.061 -7.998 3.002 1.00 54.10 H new ATOM 289 N GLU A 21 1.227 -11.341 -0.889 1.00 41.22 N ATOM 290 CA GLU A 21 0.413 -12.414 -1.436 1.00 11.41 C ATOM 291 C GLU A 21 -1.063 -12.177 -1.115 1.00 44.10 C ATOM 292 O GLU A 21 -1.942 -12.638 -1.841 1.00 21.12 O ATOM 293 CB GLU A 21 0.877 -13.775 -0.913 1.00 42.41 C ATOM 294 CG GLU A 21 2.080 -14.287 -1.708 1.00 11.11 C ATOM 295 CD GLU A 21 3.172 -14.812 -0.773 1.00 64.41 C ATOM 296 OE1 GLU A 21 3.707 -15.908 -0.998 1.00 65.44 O ATOM 297 OE2 GLU A 21 3.461 -14.037 0.217 1.00 61.14 O ATOM 0 H GLU A 21 1.804 -11.608 -0.092 1.00 41.22 H new ATOM 0 HA GLU A 21 0.532 -12.418 -2.519 1.00 11.41 H new ATOM 0 HB2 GLU A 21 1.142 -13.692 0.141 1.00 42.41 H new ATOM 0 HB3 GLU A 21 0.059 -14.493 -0.981 1.00 42.41 H new ATOM 0 HG2 GLU A 21 1.762 -15.081 -2.384 1.00 11.11 H new ATOM 0 HG3 GLU A 21 2.481 -13.483 -2.326 1.00 11.11 H new ATOM 305 N GLN A 22 -1.291 -11.458 -0.025 1.00 33.23 N ATOM 306 CA GLN A 22 -2.647 -11.154 0.400 1.00 4.22 C ATOM 307 C GLN A 22 -3.404 -10.428 -0.713 1.00 11.04 C ATOM 308 O GLN A 22 -4.579 -10.701 -0.950 1.00 21.43 O ATOM 309 CB GLN A 22 -2.645 -10.330 1.689 1.00 3.54 C ATOM 310 CG GLN A 22 -3.756 -10.787 2.635 1.00 51.14 C ATOM 311 CD GLN A 22 -3.173 -11.474 3.873 1.00 22.14 C ATOM 312 OE1 GLN A 22 -2.250 -12.267 3.798 1.00 22.43 O ATOM 313 NE2 GLN A 22 -3.764 -11.126 5.012 1.00 50.42 N ATOM 0 H GLN A 22 -0.560 -11.078 0.576 1.00 33.23 H new ATOM 0 HA GLN A 22 -3.160 -12.093 0.607 1.00 4.22 H new ATOM 0 HB2 GLN A 22 -1.679 -10.426 2.184 1.00 3.54 H new ATOM 0 HB3 GLN A 22 -2.777 -9.275 1.450 1.00 3.54 H new ATOM 0 HG2 GLN A 22 -4.356 -9.929 2.939 1.00 51.14 H new ATOM 0 HG3 GLN A 22 -4.423 -11.474 2.114 1.00 51.14 H new ATOM 0 HE21 GLN A 22 -4.532 -10.455 5.004 1.00 50.42 H new ATOM 0 HE22 GLN A 22 -3.449 -11.530 5.894 1.00 50.42 H new ATOM 322 N GLU A 23 -2.698 -9.517 -1.369 1.00 51.32 N ATOM 323 CA GLU A 23 -3.288 -8.750 -2.451 1.00 21.54 C ATOM 324 C GLU A 23 -3.739 -9.682 -3.579 1.00 61.45 C ATOM 325 O GLU A 23 -4.741 -9.421 -4.243 1.00 51.41 O ATOM 326 CB GLU A 23 -2.312 -7.694 -2.972 1.00 71.03 C ATOM 327 CG GLU A 23 -2.198 -6.523 -1.994 1.00 15.11 C ATOM 328 CD GLU A 23 -3.100 -5.363 -2.420 1.00 52.12 C ATOM 329 OE1 GLU A 23 -3.363 -5.191 -3.620 1.00 50.33 O ATOM 330 OE2 GLU A 23 -3.534 -4.626 -1.454 1.00 71.34 O ATOM 0 H GLU A 23 -1.723 -9.294 -1.171 1.00 51.32 H new ATOM 0 HA GLU A 23 -4.163 -8.229 -2.064 1.00 21.54 H new ATOM 0 HB2 GLU A 23 -1.331 -8.144 -3.123 1.00 71.03 H new ATOM 0 HB3 GLU A 23 -2.648 -7.330 -3.943 1.00 71.03 H new ATOM 0 HG2 GLU A 23 -2.473 -6.853 -0.992 1.00 15.11 H new ATOM 0 HG3 GLU A 23 -1.163 -6.185 -1.945 1.00 15.11 H new ATOM 338 N LEU A 24 -2.977 -10.752 -3.758 1.00 71.42 N ATOM 339 CA LEU A 24 -3.286 -11.725 -4.793 1.00 52.42 C ATOM 340 C LEU A 24 -4.489 -12.564 -4.356 1.00 0.34 C ATOM 341 O LEU A 24 -5.301 -12.970 -5.186 1.00 52.13 O ATOM 342 CB LEU A 24 -2.048 -12.556 -5.132 1.00 13.31 C ATOM 343 CG LEU A 24 -1.898 -12.971 -6.598 1.00 62.40 C ATOM 344 CD1 LEU A 24 -3.230 -13.467 -7.165 1.00 62.14 C ATOM 345 CD2 LEU A 24 -1.309 -11.832 -7.432 1.00 33.53 C ATOM 0 H LEU A 24 -2.147 -10.966 -3.205 1.00 71.42 H new ATOM 0 HA LEU A 24 -3.567 -11.221 -5.718 1.00 52.42 H new ATOM 0 HB2 LEU A 24 -1.164 -11.988 -4.844 1.00 13.31 H new ATOM 0 HB3 LEU A 24 -2.061 -13.458 -4.520 1.00 13.31 H new ATOM 0 HG LEU A 24 -1.196 -13.803 -6.648 1.00 62.40 H new ATOM 0 HD11 LEU A 24 -3.097 -13.756 -8.208 1.00 62.14 H new ATOM 0 HD12 LEU A 24 -3.572 -14.328 -6.591 1.00 62.14 H new ATOM 0 HD13 LEU A 24 -3.972 -12.671 -7.101 1.00 62.14 H new ATOM 0 HD21 LEU A 24 -1.213 -12.153 -8.469 1.00 33.53 H new ATOM 0 HD22 LEU A 24 -1.967 -10.965 -7.380 1.00 33.53 H new ATOM 0 HD23 LEU A 24 -0.327 -11.566 -7.042 1.00 33.53 H new ATOM 357 N LEU A 25 -4.566 -12.797 -3.054 1.00 11.31 N ATOM 358 CA LEU A 25 -5.656 -13.580 -2.497 1.00 22.34 C ATOM 359 C LEU A 25 -6.946 -12.759 -2.549 1.00 10.22 C ATOM 360 O LEU A 25 -8.038 -13.317 -2.646 1.00 41.44 O ATOM 361 CB LEU A 25 -5.298 -14.075 -1.095 1.00 13.20 C ATOM 362 CG LEU A 25 -6.428 -14.746 -0.312 1.00 62.23 C ATOM 363 CD1 LEU A 25 -5.984 -16.104 0.236 1.00 45.14 C ATOM 364 CD2 LEU A 25 -6.952 -13.826 0.792 1.00 22.54 C ATOM 0 H LEU A 25 -3.891 -12.457 -2.369 1.00 11.31 H new ATOM 0 HA LEU A 25 -5.824 -14.477 -3.093 1.00 22.34 H new ATOM 0 HB2 LEU A 25 -4.473 -14.782 -1.181 1.00 13.20 H new ATOM 0 HB3 LEU A 25 -4.933 -13.228 -0.514 1.00 13.20 H new ATOM 0 HG LEU A 25 -7.256 -14.930 -0.997 1.00 62.23 H new ATOM 0 HD11 LEU A 25 -6.806 -16.560 0.788 1.00 45.14 H new ATOM 0 HD12 LEU A 25 -5.698 -16.754 -0.591 1.00 45.14 H new ATOM 0 HD13 LEU A 25 -5.132 -15.967 0.901 1.00 45.14 H new ATOM 0 HD21 LEU A 25 -7.754 -14.327 1.333 1.00 22.54 H new ATOM 0 HD22 LEU A 25 -6.142 -13.588 1.482 1.00 22.54 H new ATOM 0 HD23 LEU A 25 -7.333 -12.906 0.349 1.00 22.54 H new ATOM 376 N GLU A 26 -6.777 -11.446 -2.483 1.00 22.45 N ATOM 377 CA GLU A 26 -7.914 -10.542 -2.521 1.00 33.32 C ATOM 378 C GLU A 26 -8.656 -10.678 -3.854 1.00 53.24 C ATOM 379 O GLU A 26 -9.875 -10.525 -3.907 1.00 35.24 O ATOM 380 CB GLU A 26 -7.475 -9.096 -2.284 1.00 54.12 C ATOM 381 CG GLU A 26 -8.555 -8.113 -2.737 1.00 42.13 C ATOM 382 CD GLU A 26 -8.446 -6.790 -1.975 1.00 73.11 C ATOM 383 OE1 GLU A 26 -9.256 -6.525 -1.075 1.00 51.53 O ATOM 384 OE2 GLU A 26 -7.477 -6.025 -2.348 1.00 61.03 O ATOM 0 H GLU A 26 -5.870 -10.987 -2.403 1.00 22.45 H new ATOM 0 HA GLU A 26 -8.597 -10.816 -1.717 1.00 33.32 H new ATOM 0 HB2 GLU A 26 -7.263 -8.946 -1.225 1.00 54.12 H new ATOM 0 HB3 GLU A 26 -6.550 -8.900 -2.826 1.00 54.12 H new ATOM 0 HG2 GLU A 26 -8.459 -7.930 -3.807 1.00 42.13 H new ATOM 0 HG3 GLU A 26 -9.540 -8.550 -2.575 1.00 42.13 H new ATOM 392 N LEU A 27 -7.888 -10.963 -4.895 1.00 74.33 N ATOM 393 CA LEU A 27 -8.456 -11.121 -6.223 1.00 22.11 C ATOM 394 C LEU A 27 -9.339 -12.371 -6.250 1.00 10.22 C ATOM 395 O LEU A 27 -10.347 -12.407 -6.953 1.00 71.44 O ATOM 396 CB LEU A 27 -7.351 -11.126 -7.281 1.00 22.41 C ATOM 397 CG LEU A 27 -7.705 -10.477 -8.622 1.00 42.34 C ATOM 398 CD1 LEU A 27 -8.885 -11.191 -9.283 1.00 14.42 C ATOM 399 CD2 LEU A 27 -7.963 -8.978 -8.453 1.00 34.34 C ATOM 0 H LEU A 27 -6.877 -11.089 -4.846 1.00 74.33 H new ATOM 0 HA LEU A 27 -9.096 -10.273 -6.467 1.00 22.11 H new ATOM 0 HB2 LEU A 27 -6.480 -10.615 -6.871 1.00 22.41 H new ATOM 0 HB3 LEU A 27 -7.057 -12.159 -7.466 1.00 22.41 H new ATOM 0 HG LEU A 27 -6.850 -10.584 -9.290 1.00 42.34 H new ATOM 0 HD11 LEU A 27 -9.115 -10.710 -10.234 1.00 14.42 H new ATOM 0 HD12 LEU A 27 -8.627 -12.235 -9.458 1.00 14.42 H new ATOM 0 HD13 LEU A 27 -9.755 -11.137 -8.629 1.00 14.42 H new ATOM 0 HD21 LEU A 27 -8.212 -8.540 -9.420 1.00 34.34 H new ATOM 0 HD22 LEU A 27 -8.792 -8.827 -7.762 1.00 34.34 H new ATOM 0 HD23 LEU A 27 -7.068 -8.497 -8.057 1.00 34.34 H new ATOM 411 N ASP A 28 -8.927 -13.364 -5.475 1.00 33.02 N ATOM 412 CA ASP A 28 -9.668 -14.611 -5.402 1.00 54.24 C ATOM 413 C ASP A 28 -11.089 -14.328 -4.912 1.00 71.42 C ATOM 414 O ASP A 28 -12.055 -14.869 -5.449 1.00 12.52 O ATOM 415 CB ASP A 28 -9.014 -15.583 -4.417 1.00 14.31 C ATOM 416 CG ASP A 28 -9.585 -17.003 -4.433 1.00 30.24 C ATOM 417 OD1 ASP A 28 -10.547 -17.312 -3.714 1.00 30.42 O ATOM 418 OD2 ASP A 28 -8.992 -17.819 -5.237 1.00 70.54 O ATOM 0 H ASP A 28 -8.090 -13.330 -4.893 1.00 33.02 H new ATOM 0 HA ASP A 28 -9.677 -15.056 -6.397 1.00 54.24 H new ATOM 0 HB2 ASP A 28 -7.947 -15.634 -4.635 1.00 14.31 H new ATOM 0 HB3 ASP A 28 -9.115 -15.179 -3.410 1.00 14.31 H new ATOM 424 N LYS A 29 -11.173 -13.481 -3.897 1.00 51.12 N ATOM 425 CA LYS A 29 -12.460 -13.119 -3.328 1.00 52.24 C ATOM 426 C LYS A 29 -13.178 -12.155 -4.275 1.00 70.45 C ATOM 427 O LYS A 29 -14.407 -12.123 -4.319 1.00 51.51 O ATOM 428 CB LYS A 29 -12.284 -12.571 -1.910 1.00 24.43 C ATOM 429 CG LYS A 29 -13.567 -11.896 -1.421 1.00 52.15 C ATOM 430 CD LYS A 29 -13.833 -12.225 0.050 1.00 42.30 C ATOM 431 CE LYS A 29 -15.335 -12.327 0.326 1.00 34.13 C ATOM 432 NZ LYS A 29 -15.909 -10.986 0.572 1.00 22.01 N ATOM 0 H LYS A 29 -10.370 -13.035 -3.454 1.00 51.12 H new ATOM 0 HA LYS A 29 -13.094 -14.000 -3.228 1.00 52.24 H new ATOM 0 HB2 LYS A 29 -12.015 -13.382 -1.233 1.00 24.43 H new ATOM 0 HB3 LYS A 29 -11.462 -11.855 -1.892 1.00 24.43 H new ATOM 0 HG2 LYS A 29 -13.485 -10.816 -1.547 1.00 52.15 H new ATOM 0 HG3 LYS A 29 -14.410 -12.225 -2.029 1.00 52.15 H new ATOM 0 HD2 LYS A 29 -13.347 -13.166 0.310 1.00 42.30 H new ATOM 0 HD3 LYS A 29 -13.395 -11.454 0.684 1.00 42.30 H new ATOM 0 HE2 LYS A 29 -15.836 -12.793 -0.522 1.00 34.13 H new ATOM 0 HE3 LYS A 29 -15.509 -12.968 1.190 1.00 34.13 H new ATOM 0 HZ1 LYS A 29 -16.929 -11.073 0.757 1.00 22.01 H new ATOM 0 HZ2 LYS A 29 -15.443 -10.555 1.396 1.00 22.01 H new ATOM 0 HZ3 LYS A 29 -15.760 -10.386 -0.264 1.00 22.01 H new ATOM 445 N TRP A 30 -12.381 -11.394 -5.010 1.00 42.53 N ATOM 446 CA TRP A 30 -12.925 -10.432 -5.953 1.00 44.42 C ATOM 447 C TRP A 30 -13.577 -11.210 -7.098 1.00 44.43 C ATOM 448 O TRP A 30 -14.417 -10.672 -7.818 1.00 11.02 O ATOM 449 CB TRP A 30 -11.844 -9.460 -6.430 1.00 50.24 C ATOM 450 CG TRP A 30 -12.390 -8.233 -7.164 1.00 40.40 C ATOM 451 CD1 TRP A 30 -12.472 -6.973 -6.716 1.00 3.21 C ATOM 452 CD2 TRP A 30 -12.929 -8.201 -8.502 1.00 63.15 C ATOM 453 NE1 TRP A 30 -13.022 -6.135 -7.663 1.00 30.13 N ATOM 454 CE2 TRP A 30 -13.309 -6.906 -8.784 1.00 44.21 C ATOM 455 CE3 TRP A 30 -13.090 -9.234 -9.442 1.00 61.40 C ATOM 456 CZ2 TRP A 30 -13.875 -6.521 -10.006 1.00 65.20 C ATOM 457 CZ3 TRP A 30 -13.657 -8.833 -10.659 1.00 71.14 C ATOM 458 CH2 TRP A 30 -14.046 -7.533 -10.958 1.00 54.23 C ATOM 0 H TRP A 30 -11.362 -11.424 -4.972 1.00 42.53 H new ATOM 0 HA TRP A 30 -13.684 -9.812 -5.477 1.00 44.42 H new ATOM 0 HB2 TRP A 30 -11.264 -9.127 -5.569 1.00 50.24 H new ATOM 0 HB3 TRP A 30 -11.159 -9.991 -7.091 1.00 50.24 H new ATOM 0 HD1 TRP A 30 -12.148 -6.654 -5.736 1.00 3.21 H new ATOM 0 HE1 TRP A 30 -13.188 -5.134 -7.560 1.00 30.13 H new ATOM 0 HE3 TRP A 30 -12.800 -10.255 -9.242 1.00 61.40 H new ATOM 0 HZ2 TRP A 30 -14.164 -5.499 -10.203 1.00 65.20 H new ATOM 0 HZ3 TRP A 30 -13.802 -9.587 -11.418 1.00 71.14 H new ATOM 0 HH2 TRP A 30 -14.478 -7.304 -11.921 1.00 54.23 H new ATOM 469 N ALA A 31 -13.166 -12.462 -7.228 1.00 22.33 N ATOM 470 CA ALA A 31 -13.701 -13.319 -8.274 1.00 54.44 C ATOM 471 C ALA A 31 -15.228 -13.325 -8.191 1.00 63.33 C ATOM 472 O ALA A 31 -15.908 -13.428 -9.211 1.00 12.10 O ATOM 473 CB ALA A 31 -13.103 -14.722 -8.139 1.00 44.21 C ATOM 0 H ALA A 31 -12.470 -12.904 -6.628 1.00 22.33 H new ATOM 0 HA ALA A 31 -13.427 -12.941 -9.259 1.00 54.44 H new ATOM 0 HB1 ALA A 31 -13.503 -15.365 -8.923 1.00 44.21 H new ATOM 0 HB2 ALA A 31 -12.019 -14.666 -8.234 1.00 44.21 H new ATOM 0 HB3 ALA A 31 -13.361 -15.135 -7.164 1.00 44.21 H new ATOM 479 N SER A 32 -15.723 -13.213 -6.967 1.00 20.40 N ATOM 480 CA SER A 32 -17.158 -13.205 -6.738 1.00 61.13 C ATOM 481 C SER A 32 -17.823 -12.151 -7.626 1.00 11.21 C ATOM 482 O SER A 32 -18.963 -12.325 -8.055 1.00 54.33 O ATOM 483 CB SER A 32 -17.479 -12.939 -5.266 1.00 24.32 C ATOM 484 OG SER A 32 -18.866 -13.103 -4.985 1.00 63.22 O ATOM 0 H SER A 32 -15.156 -13.127 -6.124 1.00 20.40 H new ATOM 0 HA SER A 32 -17.552 -14.188 -6.995 1.00 61.13 H new ATOM 0 HB2 SER A 32 -16.899 -13.618 -4.640 1.00 24.32 H new ATOM 0 HB3 SER A 32 -17.173 -11.926 -5.006 1.00 24.32 H new ATOM 0 HG SER A 32 -19.031 -12.926 -4.035 1.00 63.22 H new ATOM 490 N LEU A 33 -17.083 -11.080 -7.874 1.00 71.22 N ATOM 491 CA LEU A 33 -17.588 -9.998 -8.703 1.00 34.13 C ATOM 492 C LEU A 33 -18.090 -10.570 -10.030 1.00 33.42 C ATOM 493 O LEU A 33 -19.209 -10.280 -10.450 1.00 21.31 O ATOM 494 CB LEU A 33 -16.525 -8.909 -8.866 1.00 1.21 C ATOM 495 CG LEU A 33 -17.002 -7.595 -9.489 1.00 34.50 C ATOM 496 CD1 LEU A 33 -18.324 -7.790 -10.234 1.00 72.11 C ATOM 497 CD2 LEU A 33 -17.095 -6.491 -8.435 1.00 65.22 C ATOM 0 H LEU A 33 -16.139 -10.938 -7.516 1.00 71.22 H new ATOM 0 HA LEU A 33 -18.438 -9.514 -8.222 1.00 34.13 H new ATOM 0 HB2 LEU A 33 -16.103 -8.691 -7.885 1.00 1.21 H new ATOM 0 HB3 LEU A 33 -15.717 -9.307 -9.479 1.00 1.21 H new ATOM 0 HG LEU A 33 -16.263 -7.277 -10.224 1.00 34.50 H new ATOM 0 HD11 LEU A 33 -18.641 -6.841 -10.667 1.00 72.11 H new ATOM 0 HD12 LEU A 33 -18.189 -8.525 -11.028 1.00 72.11 H new ATOM 0 HD13 LEU A 33 -19.085 -8.143 -9.538 1.00 72.11 H new ATOM 0 HD21 LEU A 33 -17.436 -5.568 -8.904 1.00 65.22 H new ATOM 0 HD22 LEU A 33 -17.802 -6.787 -7.660 1.00 65.22 H new ATOM 0 HD23 LEU A 33 -16.113 -6.330 -7.989 1.00 65.22 H new ATOM 509 N TRP A 34 -17.240 -11.372 -10.653 1.00 73.34 N ATOM 510 CA TRP A 34 -17.585 -11.987 -11.923 1.00 15.44 C ATOM 511 C TRP A 34 -18.961 -12.640 -11.775 1.00 11.34 C ATOM 512 O TRP A 34 -19.786 -12.569 -12.684 1.00 24.13 O ATOM 513 CB TRP A 34 -16.500 -12.971 -12.368 1.00 74.44 C ATOM 514 CG TRP A 34 -15.223 -12.302 -12.876 1.00 13.43 C ATOM 515 CD1 TRP A 34 -14.181 -11.859 -12.159 1.00 1.12 C ATOM 516 CD2 TRP A 34 -14.890 -12.016 -14.251 1.00 15.11 C ATOM 517 NE1 TRP A 34 -13.206 -11.311 -12.967 1.00 21.22 N ATOM 518 CE2 TRP A 34 -13.651 -11.410 -14.281 1.00 45.31 C ATOM 519 CE3 TRP A 34 -15.613 -12.263 -15.433 1.00 51.51 C ATOM 520 CZ2 TRP A 34 -13.025 -10.998 -15.464 1.00 64.51 C ATOM 521 CZ3 TRP A 34 -14.974 -11.846 -16.607 1.00 44.23 C ATOM 522 CH2 TRP A 34 -13.728 -11.233 -16.652 1.00 55.33 C ATOM 0 H TRP A 34 -16.313 -11.610 -10.302 1.00 73.34 H new ATOM 0 HA TRP A 34 -17.640 -11.237 -12.712 1.00 15.44 H new ATOM 0 HB2 TRP A 34 -16.248 -13.621 -11.530 1.00 74.44 H new ATOM 0 HB3 TRP A 34 -16.902 -13.607 -13.156 1.00 74.44 H new ATOM 0 HD1 TRP A 34 -14.113 -11.923 -11.083 1.00 1.12 H new ATOM 0 HE1 TRP A 34 -12.322 -10.908 -12.658 1.00 21.22 H new ATOM 0 HE3 TRP A 34 -16.584 -12.737 -15.434 1.00 51.51 H new ATOM 0 HZ2 TRP A 34 -12.054 -10.525 -15.460 1.00 64.51 H new ATOM 0 HZ3 TRP A 34 -15.486 -12.013 -17.543 1.00 44.23 H new ATOM 0 HH2 TRP A 34 -13.303 -10.939 -17.600 1.00 55.33 H new