USER MOD reduce.3.24.130724 H: found=0, std=0, add=425, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 426 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 9 ASN : amide:sc= -0.0185 X(o=-0.78,f=-0.32) USER MOD Set 1.2: A 56 THR OG1 : rot 180:sc= -0.761 USER MOD Set 2.1: A 50 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 52 THR OG1 : rot 64:sc= 0.465 USER MOD Set 3.1: A 45 THR OG1 : rot -9:sc= -0.542! USER MOD Set 3.2: A 54 THR OG1 : rot 152:sc= 0.417 USER MOD Single : A 2 THR OG1 : rot 36:sc= 0.305 USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.365 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 34:sc= -0.0773 USER MOD Single : A 14 LYS NZ :NH3+ 154:sc= -0.0559 (180deg=-0.44) USER MOD Single : A 18 THR OG1 : rot 19:sc= 1.36 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ -130:sc= 0.0739 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.199 X(o=-0.2,f=-0.1) USER MOD Single : A 34 TYR OH : rot 80:sc= -0.227 USER MOD Single : A 36 ASN : amide:sc= -0.0497 X(o=-0.05,f=0) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 TYR OH : rot -111:sc= -0.406 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 20 N THR A 2 -1.907 -12.490 5.741 1.00 0.00 N ATOM 21 CA THR A 2 -2.363 -11.492 4.726 1.00 0.00 C ATOM 22 C THR A 2 -1.565 -10.193 4.865 1.00 0.00 C ATOM 23 O THR A 2 -2.110 -9.109 4.774 1.00 0.00 O ATOM 24 CB THR A 2 -3.840 -11.252 5.044 1.00 0.00 C ATOM 25 OG1 THR A 2 -4.531 -12.493 5.036 1.00 0.00 O ATOM 26 CG2 THR A 2 -4.449 -10.318 3.995 1.00 0.00 C ATOM 0 HA THR A 2 -2.218 -11.845 3.705 1.00 0.00 H new ATOM 0 HB THR A 2 -3.929 -10.792 6.028 1.00 0.00 H new ATOM 0 HG1 THR A 2 -3.947 -13.195 5.393 1.00 0.00 H new ATOM 0 HG21 THR A 2 -5.501 -10.149 4.225 1.00 0.00 H new ATOM 0 HG22 THR A 2 -3.919 -9.366 4.004 1.00 0.00 H new ATOM 0 HG23 THR A 2 -4.362 -10.773 3.008 1.00 0.00 H new ATOM 34 N THR A 3 -0.278 -10.297 5.084 1.00 0.00 N ATOM 35 CA THR A 3 0.563 -9.069 5.230 1.00 0.00 C ATOM 36 C THR A 3 0.830 -8.444 3.859 1.00 0.00 C ATOM 37 O THR A 3 1.647 -8.924 3.096 1.00 0.00 O ATOM 38 CB THR A 3 1.872 -9.548 5.862 1.00 0.00 C ATOM 39 OG1 THR A 3 1.579 -10.441 6.928 1.00 0.00 O ATOM 40 CG2 THR A 3 2.649 -8.344 6.399 1.00 0.00 C ATOM 0 H THR A 3 0.227 -11.179 5.168 1.00 0.00 H new ATOM 0 HA THR A 3 0.073 -8.309 5.838 1.00 0.00 H new ATOM 0 HB THR A 3 2.475 -10.061 5.113 1.00 0.00 H new ATOM 0 HG1 THR A 3 2.415 -10.751 7.334 1.00 0.00 H new ATOM 0 HG21 THR A 3 3.581 -8.684 6.849 1.00 0.00 H new ATOM 0 HG22 THR A 3 2.870 -7.659 5.580 1.00 0.00 H new ATOM 0 HG23 THR A 3 2.050 -7.830 7.150 1.00 0.00 H new ATOM 48 N PHE A 4 0.144 -7.375 3.545 1.00 0.00 N ATOM 49 CA PHE A 4 0.347 -6.707 2.226 1.00 0.00 C ATOM 50 C PHE A 4 1.531 -5.742 2.300 1.00 0.00 C ATOM 51 O PHE A 4 1.617 -4.924 3.197 1.00 0.00 O ATOM 52 CB PHE A 4 -0.948 -5.938 1.968 1.00 0.00 C ATOM 53 CG PHE A 4 -2.039 -6.906 1.589 1.00 0.00 C ATOM 54 CD1 PHE A 4 -1.981 -7.580 0.363 1.00 0.00 C ATOM 55 CD2 PHE A 4 -3.108 -7.133 2.463 1.00 0.00 C ATOM 56 CE1 PHE A 4 -2.990 -8.481 0.012 1.00 0.00 C ATOM 57 CE2 PHE A 4 -4.117 -8.034 2.111 1.00 0.00 C ATOM 58 CZ PHE A 4 -4.058 -8.709 0.885 1.00 0.00 C ATOM 0 H PHE A 4 -0.551 -6.935 4.149 1.00 0.00 H new ATOM 0 HA PHE A 4 0.565 -7.421 1.432 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -1.236 -5.380 2.859 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -0.799 -5.211 1.170 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -1.156 -7.404 -0.312 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -3.153 -6.613 3.408 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -2.945 -9.001 -0.933 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -4.943 -8.210 2.785 1.00 0.00 H new ATOM 0 HZ PHE A 4 -4.838 -9.406 0.614 1.00 0.00 H new ATOM 68 N LYS A 5 2.438 -5.826 1.361 1.00 0.00 N ATOM 69 CA LYS A 5 3.615 -4.907 1.366 1.00 0.00 C ATOM 70 C LYS A 5 3.367 -3.750 0.396 1.00 0.00 C ATOM 71 O LYS A 5 2.394 -3.747 -0.334 1.00 0.00 O ATOM 72 CB LYS A 5 4.793 -5.761 0.895 1.00 0.00 C ATOM 73 CG LYS A 5 5.015 -6.917 1.874 1.00 0.00 C ATOM 74 CD LYS A 5 4.245 -8.148 1.392 1.00 0.00 C ATOM 75 CE LYS A 5 4.880 -9.411 1.978 1.00 0.00 C ATOM 76 NZ LYS A 5 4.180 -10.541 1.307 1.00 0.00 N ATOM 0 H LYS A 5 2.414 -6.493 0.590 1.00 0.00 H new ATOM 0 HA LYS A 5 3.802 -4.473 2.348 1.00 0.00 H new ATOM 0 HB2 LYS A 5 4.596 -6.150 -0.104 1.00 0.00 H new ATOM 0 HB3 LYS A 5 5.693 -5.151 0.828 1.00 0.00 H new ATOM 0 HG2 LYS A 5 6.078 -7.146 1.948 1.00 0.00 H new ATOM 0 HG3 LYS A 5 4.680 -6.633 2.871 1.00 0.00 H new ATOM 0 HD2 LYS A 5 3.201 -8.079 1.696 1.00 0.00 H new ATOM 0 HD3 LYS A 5 4.257 -8.194 0.303 1.00 0.00 H new ATOM 0 HE2 LYS A 5 5.952 -9.440 1.784 1.00 0.00 H new ATOM 0 HE3 LYS A 5 4.750 -9.453 3.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 4.561 -11.443 1.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 3.162 -10.491 1.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 4.327 -10.479 0.279 1.00 0.00 H new ATOM 90 N LEU A 6 4.234 -2.769 0.382 1.00 0.00 N ATOM 91 CA LEU A 6 4.040 -1.614 -0.545 1.00 0.00 C ATOM 92 C LEU A 6 5.390 -1.124 -1.070 1.00 0.00 C ATOM 93 O LEU A 6 6.139 -0.472 -0.368 1.00 0.00 O ATOM 94 CB LEU A 6 3.357 -0.536 0.308 1.00 0.00 C ATOM 95 CG LEU A 6 3.157 0.743 -0.516 1.00 0.00 C ATOM 96 CD1 LEU A 6 2.060 0.519 -1.556 1.00 0.00 C ATOM 97 CD2 LEU A 6 2.747 1.888 0.414 1.00 0.00 C ATOM 0 H LEU A 6 5.065 -2.718 0.971 1.00 0.00 H new ATOM 0 HA LEU A 6 3.444 -1.876 -1.419 1.00 0.00 H new ATOM 0 HB2 LEU A 6 2.394 -0.901 0.666 1.00 0.00 H new ATOM 0 HB3 LEU A 6 3.963 -0.320 1.188 1.00 0.00 H new ATOM 0 HG LEU A 6 4.089 0.996 -1.021 1.00 0.00 H new ATOM 0 HD11 LEU A 6 1.920 1.429 -2.139 1.00 0.00 H new ATOM 0 HD12 LEU A 6 2.348 -0.297 -2.219 1.00 0.00 H new ATOM 0 HD13 LEU A 6 1.128 0.264 -1.052 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.604 2.797 -0.170 1.00 0.00 H new ATOM 0 HD22 LEU A 6 1.816 1.631 0.919 1.00 0.00 H new ATOM 0 HD23 LEU A 6 3.529 2.052 1.156 1.00 0.00 H new ATOM 109 N ILE A 7 5.692 -1.410 -2.311 1.00 0.00 N ATOM 110 CA ILE A 7 6.976 -0.942 -2.896 1.00 0.00 C ATOM 111 C ILE A 7 6.791 0.504 -3.330 1.00 0.00 C ATOM 112 O ILE A 7 5.994 0.798 -4.205 1.00 0.00 O ATOM 113 CB ILE A 7 7.233 -1.849 -4.100 1.00 0.00 C ATOM 114 CG1 ILE A 7 7.357 -3.301 -3.626 1.00 0.00 C ATOM 115 CG2 ILE A 7 8.534 -1.427 -4.788 1.00 0.00 C ATOM 116 CD1 ILE A 7 7.469 -4.228 -4.838 1.00 0.00 C ATOM 0 H ILE A 7 5.100 -1.949 -2.943 1.00 0.00 H new ATOM 0 HA ILE A 7 7.814 -0.986 -2.200 1.00 0.00 H new ATOM 0 HB ILE A 7 6.405 -1.763 -4.803 1.00 0.00 H new ATOM 0 HG12 ILE A 7 8.234 -3.412 -2.988 1.00 0.00 H new ATOM 0 HG13 ILE A 7 6.489 -3.574 -3.026 1.00 0.00 H new ATOM 0 HG21 ILE A 7 8.718 -2.073 -5.646 1.00 0.00 H new ATOM 0 HG22 ILE A 7 8.450 -0.393 -5.123 1.00 0.00 H new ATOM 0 HG23 ILE A 7 9.362 -1.514 -4.085 1.00 0.00 H new ATOM 0 HD11 ILE A 7 7.557 -5.260 -4.500 1.00 0.00 H new ATOM 0 HD12 ILE A 7 6.579 -4.124 -5.459 1.00 0.00 H new ATOM 0 HD13 ILE A 7 8.351 -3.961 -5.420 1.00 0.00 H new ATOM 128 N ILE A 8 7.494 1.411 -2.713 1.00 0.00 N ATOM 129 CA ILE A 8 7.326 2.845 -3.079 1.00 0.00 C ATOM 130 C ILE A 8 8.268 3.190 -4.238 1.00 0.00 C ATOM 131 O ILE A 8 9.475 3.173 -4.086 1.00 0.00 O ATOM 132 CB ILE A 8 7.699 3.684 -1.845 1.00 0.00 C ATOM 133 CG1 ILE A 8 7.117 3.084 -0.519 1.00 0.00 C ATOM 134 CG2 ILE A 8 7.200 5.119 -2.070 1.00 0.00 C ATOM 135 CD1 ILE A 8 5.682 3.556 -0.220 1.00 0.00 C ATOM 0 H ILE A 8 8.174 1.224 -1.976 1.00 0.00 H new ATOM 0 HA ILE A 8 6.301 3.048 -3.388 1.00 0.00 H new ATOM 0 HB ILE A 8 8.782 3.677 -1.726 1.00 0.00 H new ATOM 0 HG12 ILE A 8 7.129 1.996 -0.584 1.00 0.00 H new ATOM 0 HG13 ILE A 8 7.765 3.361 0.313 1.00 0.00 H new ATOM 0 HG21 ILE A 8 7.454 5.732 -1.206 1.00 0.00 H new ATOM 0 HG22 ILE A 8 7.673 5.533 -2.961 1.00 0.00 H new ATOM 0 HG23 ILE A 8 6.118 5.111 -2.204 1.00 0.00 H new ATOM 0 HD11 ILE A 8 5.337 3.105 0.711 1.00 0.00 H new ATOM 0 HD12 ILE A 8 5.669 4.642 -0.124 1.00 0.00 H new ATOM 0 HD13 ILE A 8 5.023 3.256 -1.035 1.00 0.00 H new ATOM 147 N ASN A 9 7.729 3.499 -5.390 1.00 0.00 N ATOM 148 CA ASN A 9 8.598 3.841 -6.558 1.00 0.00 C ATOM 149 C ASN A 9 8.656 5.360 -6.759 1.00 0.00 C ATOM 150 O ASN A 9 8.035 5.900 -7.656 1.00 0.00 O ATOM 151 CB ASN A 9 7.933 3.163 -7.757 1.00 0.00 C ATOM 152 CG ASN A 9 8.791 3.377 -9.006 1.00 0.00 C ATOM 153 OD1 ASN A 9 9.806 2.733 -9.175 1.00 0.00 O ATOM 154 ND2 ASN A 9 8.423 4.262 -9.891 1.00 0.00 N ATOM 0 H ASN A 9 6.726 3.529 -5.573 1.00 0.00 H new ATOM 0 HA ASN A 9 9.626 3.506 -6.417 1.00 0.00 H new ATOM 0 HB2 ASN A 9 7.812 2.097 -7.564 1.00 0.00 H new ATOM 0 HB3 ASN A 9 6.936 3.574 -7.913 1.00 0.00 H new ATOM 0 HD21 ASN A 9 8.988 4.414 -10.726 1.00 0.00 H new ATOM 0 HD22 ASN A 9 7.570 4.802 -9.748 1.00 0.00 H new ATOM 161 N GLY A 10 9.403 6.050 -5.934 1.00 0.00 N ATOM 162 CA GLY A 10 9.510 7.533 -6.072 1.00 0.00 C ATOM 163 C GLY A 10 10.696 8.042 -5.249 1.00 0.00 C ATOM 164 O GLY A 10 11.660 7.331 -5.031 1.00 0.00 O ATOM 0 H GLY A 10 9.945 5.648 -5.169 1.00 0.00 H new ATOM 0 HA2 GLY A 10 9.640 7.802 -7.120 1.00 0.00 H new ATOM 0 HA3 GLY A 10 8.589 8.007 -5.733 1.00 0.00 H new ATOM 168 N LYS A 11 10.630 9.267 -4.791 1.00 0.00 N ATOM 169 CA LYS A 11 11.752 9.829 -3.978 1.00 0.00 C ATOM 170 C LYS A 11 11.313 10.009 -2.520 1.00 0.00 C ATOM 171 O LYS A 11 12.122 9.965 -1.612 1.00 0.00 O ATOM 172 CB LYS A 11 12.088 11.180 -4.621 1.00 0.00 C ATOM 173 CG LYS A 11 10.857 12.093 -4.612 1.00 0.00 C ATOM 174 CD LYS A 11 11.283 13.523 -4.953 1.00 0.00 C ATOM 175 CE LYS A 11 10.138 14.488 -4.638 1.00 0.00 C ATOM 176 NZ LYS A 11 10.574 15.796 -5.202 1.00 0.00 N ATOM 0 H LYS A 11 9.847 9.903 -4.945 1.00 0.00 H new ATOM 0 HA LYS A 11 12.619 9.169 -3.965 1.00 0.00 H new ATOM 0 HB2 LYS A 11 12.906 11.655 -4.079 1.00 0.00 H new ATOM 0 HB3 LYS A 11 12.430 11.028 -5.645 1.00 0.00 H new ATOM 0 HG2 LYS A 11 10.122 11.738 -5.335 1.00 0.00 H new ATOM 0 HG3 LYS A 11 10.379 12.068 -3.633 1.00 0.00 H new ATOM 0 HD2 LYS A 11 12.170 13.795 -4.381 1.00 0.00 H new ATOM 0 HD3 LYS A 11 11.551 13.592 -6.007 1.00 0.00 H new ATOM 0 HE2 LYS A 11 9.204 14.154 -5.090 1.00 0.00 H new ATOM 0 HE3 LYS A 11 9.965 14.559 -3.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 9.840 16.512 -5.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 11.462 16.091 -4.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 10.725 15.699 -6.226 1.00 0.00 H new ATOM 190 N THR A 12 10.038 10.204 -2.291 1.00 0.00 N ATOM 191 CA THR A 12 9.540 10.379 -0.894 1.00 0.00 C ATOM 192 C THR A 12 9.412 9.020 -0.217 1.00 0.00 C ATOM 193 O THR A 12 8.476 8.291 -0.458 1.00 0.00 O ATOM 194 CB THR A 12 8.170 11.046 -1.035 1.00 0.00 C ATOM 195 OG1 THR A 12 7.445 10.420 -2.087 1.00 0.00 O ATOM 196 CG2 THR A 12 8.354 12.531 -1.355 1.00 0.00 C ATOM 0 H THR A 12 9.320 10.249 -3.014 1.00 0.00 H new ATOM 0 HA THR A 12 10.216 10.979 -0.284 1.00 0.00 H new ATOM 0 HB THR A 12 7.618 10.943 -0.101 1.00 0.00 H new ATOM 0 HG1 THR A 12 7.670 9.467 -2.117 1.00 0.00 H new ATOM 0 HG21 THR A 12 7.378 13.005 -1.455 1.00 0.00 H new ATOM 0 HG22 THR A 12 8.909 13.011 -0.549 1.00 0.00 H new ATOM 0 HG23 THR A 12 8.906 12.636 -2.289 1.00 0.00 H new ATOM 204 N LEU A 13 10.358 8.681 0.629 1.00 0.00 N ATOM 205 CA LEU A 13 10.332 7.362 1.341 1.00 0.00 C ATOM 206 C LEU A 13 10.428 6.215 0.312 1.00 0.00 C ATOM 207 O LEU A 13 9.795 6.246 -0.726 1.00 0.00 O ATOM 208 CB LEU A 13 9.017 7.372 2.181 1.00 0.00 C ATOM 209 CG LEU A 13 7.951 6.415 1.632 1.00 0.00 C ATOM 210 CD1 LEU A 13 8.252 4.992 2.104 1.00 0.00 C ATOM 211 CD2 LEU A 13 6.571 6.839 2.144 1.00 0.00 C ATOM 0 H LEU A 13 11.158 9.271 0.859 1.00 0.00 H new ATOM 0 HA LEU A 13 11.178 7.203 2.010 1.00 0.00 H new ATOM 0 HB2 LEU A 13 9.247 7.099 3.211 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.613 8.384 2.202 1.00 0.00 H new ATOM 0 HG LEU A 13 7.961 6.448 0.543 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.495 4.312 1.714 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.234 4.688 1.741 1.00 0.00 H new ATOM 0 HD13 LEU A 13 8.242 4.960 3.193 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.814 6.159 1.754 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.561 6.807 3.233 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.355 7.854 1.809 1.00 0.00 H new ATOM 223 N LYS A 14 11.223 5.212 0.594 1.00 0.00 N ATOM 224 CA LYS A 14 11.369 4.082 -0.359 1.00 0.00 C ATOM 225 C LYS A 14 11.496 2.750 0.383 1.00 0.00 C ATOM 226 O LYS A 14 12.200 2.642 1.370 1.00 0.00 O ATOM 227 CB LYS A 14 12.646 4.386 -1.143 1.00 0.00 C ATOM 228 CG LYS A 14 12.468 5.692 -1.920 1.00 0.00 C ATOM 229 CD LYS A 14 13.635 5.877 -2.893 1.00 0.00 C ATOM 230 CE LYS A 14 13.518 4.869 -4.043 1.00 0.00 C ATOM 231 NZ LYS A 14 14.613 3.883 -3.809 1.00 0.00 N ATOM 0 H LYS A 14 11.776 5.132 1.447 1.00 0.00 H new ATOM 0 HA LYS A 14 10.500 3.988 -1.010 1.00 0.00 H new ATOM 0 HB2 LYS A 14 13.493 4.468 -0.462 1.00 0.00 H new ATOM 0 HB3 LYS A 14 12.867 3.569 -1.830 1.00 0.00 H new ATOM 0 HG2 LYS A 14 11.525 5.675 -2.467 1.00 0.00 H new ATOM 0 HG3 LYS A 14 12.421 6.534 -1.229 1.00 0.00 H new ATOM 0 HD2 LYS A 14 13.634 6.893 -3.287 1.00 0.00 H new ATOM 0 HD3 LYS A 14 14.581 5.738 -2.371 1.00 0.00 H new ATOM 0 HE2 LYS A 14 12.543 4.382 -4.043 1.00 0.00 H new ATOM 0 HE3 LYS A 14 13.629 5.360 -5.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 14.357 2.971 -4.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 15.493 4.233 -4.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 14.753 3.756 -2.786 1.00 0.00 H new ATOM 245 N GLY A 15 10.822 1.731 -0.093 1.00 0.00 N ATOM 246 CA GLY A 15 10.902 0.396 0.572 1.00 0.00 C ATOM 247 C GLY A 15 9.494 -0.153 0.813 1.00 0.00 C ATOM 248 O GLY A 15 8.523 0.330 0.260 1.00 0.00 O ATOM 0 H GLY A 15 10.219 1.768 -0.915 1.00 0.00 H new ATOM 0 HA2 GLY A 15 11.470 -0.296 -0.050 1.00 0.00 H new ATOM 0 HA3 GLY A 15 11.434 0.483 1.519 1.00 0.00 H new ATOM 252 N GLU A 16 9.384 -1.163 1.641 1.00 0.00 N ATOM 253 CA GLU A 16 8.048 -1.764 1.938 1.00 0.00 C ATOM 254 C GLU A 16 7.762 -1.680 3.440 1.00 0.00 C ATOM 255 O GLU A 16 8.667 -1.558 4.245 1.00 0.00 O ATOM 256 CB GLU A 16 8.166 -3.222 1.495 1.00 0.00 C ATOM 257 CG GLU A 16 8.358 -3.282 -0.021 1.00 0.00 C ATOM 258 CD GLU A 16 9.853 -3.322 -0.345 1.00 0.00 C ATOM 259 OE1 GLU A 16 10.430 -4.393 -0.255 1.00 0.00 O ATOM 260 OE2 GLU A 16 10.395 -2.280 -0.677 1.00 0.00 O ATOM 0 H GLU A 16 10.168 -1.599 2.126 1.00 0.00 H new ATOM 0 HA GLU A 16 7.235 -1.248 1.427 1.00 0.00 H new ATOM 0 HB2 GLU A 16 9.008 -3.699 1.998 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.270 -3.773 1.781 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.864 -4.165 -0.426 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.896 -2.414 -0.491 1.00 0.00 H new ATOM 267 N ILE A 17 6.512 -1.744 3.822 1.00 0.00 N ATOM 268 CA ILE A 17 6.162 -1.667 5.276 1.00 0.00 C ATOM 269 C ILE A 17 5.504 -2.974 5.749 1.00 0.00 C ATOM 270 O ILE A 17 5.410 -3.221 6.933 1.00 0.00 O ATOM 271 CB ILE A 17 5.181 -0.495 5.394 1.00 0.00 C ATOM 272 CG1 ILE A 17 5.837 0.787 4.867 1.00 0.00 C ATOM 273 CG2 ILE A 17 4.796 -0.296 6.863 1.00 0.00 C ATOM 274 CD1 ILE A 17 5.443 1.000 3.403 1.00 0.00 C ATOM 0 H ILE A 17 5.717 -1.846 3.191 1.00 0.00 H new ATOM 0 HA ILE A 17 7.046 -1.522 5.897 1.00 0.00 H new ATOM 0 HB ILE A 17 4.290 -0.715 4.806 1.00 0.00 H new ATOM 0 HG12 ILE A 17 5.523 1.641 5.467 1.00 0.00 H new ATOM 0 HG13 ILE A 17 6.921 0.716 4.956 1.00 0.00 H new ATOM 0 HG21 ILE A 17 4.098 0.537 6.947 1.00 0.00 H new ATOM 0 HG22 ILE A 17 4.325 -1.203 7.242 1.00 0.00 H new ATOM 0 HG23 ILE A 17 5.690 -0.081 7.448 1.00 0.00 H new ATOM 0 HD11 ILE A 17 5.910 1.911 3.029 1.00 0.00 H new ATOM 0 HD12 ILE A 17 5.779 0.150 2.809 1.00 0.00 H new ATOM 0 HD13 ILE A 17 4.359 1.090 3.327 1.00 0.00 H new ATOM 286 N THR A 18 5.043 -3.803 4.832 1.00 0.00 N ATOM 287 CA THR A 18 4.381 -5.104 5.202 1.00 0.00 C ATOM 288 C THR A 18 3.366 -4.920 6.342 1.00 0.00 C ATOM 289 O THR A 18 3.718 -4.921 7.507 1.00 0.00 O ATOM 290 CB THR A 18 5.516 -6.048 5.631 1.00 0.00 C ATOM 291 OG1 THR A 18 6.172 -5.528 6.777 1.00 0.00 O ATOM 292 CG2 THR A 18 6.525 -6.202 4.489 1.00 0.00 C ATOM 0 H THR A 18 5.099 -3.630 3.828 1.00 0.00 H new ATOM 0 HA THR A 18 3.818 -5.506 4.360 1.00 0.00 H new ATOM 0 HB THR A 18 5.092 -7.023 5.872 1.00 0.00 H new ATOM 0 HG1 THR A 18 5.593 -4.870 7.215 1.00 0.00 H new ATOM 0 HG21 THR A 18 7.327 -6.872 4.800 1.00 0.00 H new ATOM 0 HG22 THR A 18 6.024 -6.617 3.614 1.00 0.00 H new ATOM 0 HG23 THR A 18 6.943 -5.227 4.239 1.00 0.00 H new ATOM 300 N ILE A 19 2.108 -4.771 6.008 1.00 0.00 N ATOM 301 CA ILE A 19 1.063 -4.591 7.065 1.00 0.00 C ATOM 302 C ILE A 19 -0.105 -5.555 6.838 1.00 0.00 C ATOM 303 O ILE A 19 -0.611 -5.684 5.739 1.00 0.00 O ATOM 304 CB ILE A 19 0.597 -3.130 6.948 1.00 0.00 C ATOM 305 CG1 ILE A 19 -0.031 -2.877 5.566 1.00 0.00 C ATOM 306 CG2 ILE A 19 1.795 -2.196 7.143 1.00 0.00 C ATOM 307 CD1 ILE A 19 -1.559 -2.854 5.686 1.00 0.00 C ATOM 0 H ILE A 19 1.759 -4.766 5.050 1.00 0.00 H new ATOM 0 HA ILE A 19 1.456 -4.805 8.059 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.152 -2.936 7.716 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.325 -1.929 5.162 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.276 -3.656 4.869 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.466 -1.160 7.060 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.229 -2.361 8.129 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.544 -2.401 6.378 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.998 -2.675 4.705 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -1.908 -3.812 6.070 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -1.858 -2.059 6.369 1.00 0.00 H new ATOM 319 N GLU A 20 -0.539 -6.227 7.875 1.00 0.00 N ATOM 320 CA GLU A 20 -1.679 -7.182 7.734 1.00 0.00 C ATOM 321 C GLU A 20 -2.999 -6.413 7.675 1.00 0.00 C ATOM 322 O GLU A 20 -3.090 -5.288 8.130 1.00 0.00 O ATOM 323 CB GLU A 20 -1.625 -8.060 8.986 1.00 0.00 C ATOM 324 CG GLU A 20 -0.792 -9.311 8.698 1.00 0.00 C ATOM 325 CD GLU A 20 -0.434 -10.001 10.014 1.00 0.00 C ATOM 326 OE1 GLU A 20 -1.290 -10.679 10.557 1.00 0.00 O ATOM 327 OE2 GLU A 20 0.692 -9.841 10.457 1.00 0.00 O ATOM 0 H GLU A 20 -0.151 -6.155 8.816 1.00 0.00 H new ATOM 0 HA GLU A 20 -1.611 -7.775 6.822 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -1.189 -7.503 9.815 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.633 -8.343 9.288 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -1.351 -9.993 8.058 1.00 0.00 H new ATOM 0 HG3 GLU A 20 0.116 -9.040 8.159 1.00 0.00 H new ATOM 334 N ALA A 21 -4.020 -7.010 7.116 1.00 0.00 N ATOM 335 CA ALA A 21 -5.339 -6.316 7.021 1.00 0.00 C ATOM 336 C ALA A 21 -6.432 -7.307 6.614 1.00 0.00 C ATOM 337 O ALA A 21 -6.155 -8.423 6.219 1.00 0.00 O ATOM 338 CB ALA A 21 -5.146 -5.259 5.934 1.00 0.00 C ATOM 0 H ALA A 21 -3.997 -7.950 6.721 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.646 -5.879 7.971 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -6.073 -4.701 5.800 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.350 -4.575 6.229 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -4.877 -5.746 4.997 1.00 0.00 H new ATOM 344 N VAL A 22 -7.674 -6.900 6.707 1.00 0.00 N ATOM 345 CA VAL A 22 -8.804 -7.805 6.326 1.00 0.00 C ATOM 346 C VAL A 22 -8.612 -8.332 4.896 1.00 0.00 C ATOM 347 O VAL A 22 -8.938 -9.463 4.589 1.00 0.00 O ATOM 348 CB VAL A 22 -10.066 -6.933 6.427 1.00 0.00 C ATOM 349 CG1 VAL A 22 -9.955 -5.735 5.475 1.00 0.00 C ATOM 350 CG2 VAL A 22 -11.297 -7.765 6.054 1.00 0.00 C ATOM 0 H VAL A 22 -7.956 -5.975 7.032 1.00 0.00 H new ATOM 0 HA VAL A 22 -8.866 -8.681 6.972 1.00 0.00 H new ATOM 0 HB VAL A 22 -10.165 -6.570 7.450 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -10.854 -5.123 5.554 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -9.084 -5.137 5.743 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -9.848 -6.093 4.451 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -12.191 -7.145 6.126 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -11.192 -8.133 5.033 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -11.386 -8.610 6.737 1.00 0.00 H new ATOM 360 N ASP A 23 -8.073 -7.515 4.030 1.00 0.00 N ATOM 361 CA ASP A 23 -7.837 -7.943 2.620 1.00 0.00 C ATOM 362 C ASP A 23 -6.910 -6.939 1.936 1.00 0.00 C ATOM 363 O ASP A 23 -6.589 -5.908 2.498 1.00 0.00 O ATOM 364 CB ASP A 23 -9.219 -7.958 1.949 1.00 0.00 C ATOM 365 CG ASP A 23 -9.918 -6.597 2.100 1.00 0.00 C ATOM 366 OD1 ASP A 23 -9.245 -5.628 2.416 1.00 0.00 O ATOM 367 OD2 ASP A 23 -11.119 -6.549 1.896 1.00 0.00 O ATOM 0 H ASP A 23 -7.783 -6.560 4.242 1.00 0.00 H new ATOM 0 HA ASP A 23 -7.364 -8.923 2.557 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -9.112 -8.201 0.892 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -9.835 -8.739 2.394 1.00 0.00 H new ATOM 372 N ALA A 24 -6.473 -7.224 0.734 1.00 0.00 N ATOM 373 CA ALA A 24 -5.563 -6.269 0.032 1.00 0.00 C ATOM 374 C ALA A 24 -6.282 -4.937 -0.182 1.00 0.00 C ATOM 375 O ALA A 24 -5.674 -3.884 -0.182 1.00 0.00 O ATOM 376 CB ALA A 24 -5.221 -6.922 -1.307 1.00 0.00 C ATOM 0 H ALA A 24 -6.705 -8.070 0.213 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.661 -6.063 0.608 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.555 -6.269 -1.871 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.728 -7.878 -1.130 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -6.136 -7.085 -1.876 1.00 0.00 H new ATOM 382 N ALA A 25 -7.583 -4.979 -0.351 1.00 0.00 N ATOM 383 CA ALA A 25 -8.363 -3.721 -0.551 1.00 0.00 C ATOM 384 C ALA A 25 -8.128 -2.774 0.628 1.00 0.00 C ATOM 385 O ALA A 25 -7.904 -1.591 0.452 1.00 0.00 O ATOM 386 CB ALA A 25 -9.830 -4.157 -0.605 1.00 0.00 C ATOM 0 H ALA A 25 -8.138 -5.835 -0.359 1.00 0.00 H new ATOM 0 HA ALA A 25 -8.069 -3.191 -1.457 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.464 -3.283 -0.751 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -9.973 -4.851 -1.433 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.098 -4.648 0.330 1.00 0.00 H new ATOM 392 N GLU A 26 -8.155 -3.300 1.827 1.00 0.00 N ATOM 393 CA GLU A 26 -7.910 -2.447 3.028 1.00 0.00 C ATOM 394 C GLU A 26 -6.446 -2.015 3.038 1.00 0.00 C ATOM 395 O GLU A 26 -6.126 -0.870 3.291 1.00 0.00 O ATOM 396 CB GLU A 26 -8.224 -3.337 4.231 1.00 0.00 C ATOM 397 CG GLU A 26 -8.259 -2.487 5.505 1.00 0.00 C ATOM 398 CD GLU A 26 -9.705 -2.100 5.822 1.00 0.00 C ATOM 399 OE1 GLU A 26 -10.337 -1.497 4.971 1.00 0.00 O ATOM 400 OE2 GLU A 26 -10.156 -2.414 6.912 1.00 0.00 O ATOM 0 H GLU A 26 -8.336 -4.284 2.025 1.00 0.00 H new ATOM 0 HA GLU A 26 -8.521 -1.545 3.039 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -9.183 -3.834 4.087 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -7.470 -4.119 4.324 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -7.830 -3.044 6.338 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.652 -1.591 5.374 1.00 0.00 H new ATOM 407 N ALA A 27 -5.549 -2.928 2.743 1.00 0.00 N ATOM 408 CA ALA A 27 -4.093 -2.579 2.709 1.00 0.00 C ATOM 409 C ALA A 27 -3.864 -1.412 1.745 1.00 0.00 C ATOM 410 O ALA A 27 -3.165 -0.466 2.055 1.00 0.00 O ATOM 411 CB ALA A 27 -3.380 -3.833 2.197 1.00 0.00 C ATOM 0 H ALA A 27 -5.764 -3.901 2.524 1.00 0.00 H new ATOM 0 HA ALA A 27 -3.722 -2.277 3.688 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -2.307 -3.647 2.147 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -3.573 -4.664 2.876 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -3.751 -4.082 1.203 1.00 0.00 H new ATOM 417 N GLU A 28 -4.470 -1.467 0.582 1.00 0.00 N ATOM 418 CA GLU A 28 -4.311 -0.355 -0.406 1.00 0.00 C ATOM 419 C GLU A 28 -4.801 0.953 0.220 1.00 0.00 C ATOM 420 O GLU A 28 -4.224 1.999 0.008 1.00 0.00 O ATOM 421 CB GLU A 28 -5.176 -0.743 -1.609 1.00 0.00 C ATOM 422 CG GLU A 28 -4.697 0.014 -2.854 1.00 0.00 C ATOM 423 CD GLU A 28 -5.796 -0.009 -3.918 1.00 0.00 C ATOM 424 OE1 GLU A 28 -6.737 0.757 -3.786 1.00 0.00 O ATOM 425 OE2 GLU A 28 -5.679 -0.792 -4.846 1.00 0.00 O ATOM 0 H GLU A 28 -5.068 -2.235 0.276 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.273 -0.206 -0.703 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.117 -1.818 -1.780 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.221 -0.509 -1.408 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.449 1.043 -2.594 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.788 -0.444 -3.244 1.00 0.00 H new ATOM 432 N LYS A 29 -5.847 0.892 1.011 1.00 0.00 N ATOM 433 CA LYS A 29 -6.356 2.130 1.676 1.00 0.00 C ATOM 434 C LYS A 29 -5.345 2.578 2.734 1.00 0.00 C ATOM 435 O LYS A 29 -4.904 3.714 2.751 1.00 0.00 O ATOM 436 CB LYS A 29 -7.681 1.728 2.331 1.00 0.00 C ATOM 437 CG LYS A 29 -8.728 1.441 1.249 1.00 0.00 C ATOM 438 CD LYS A 29 -9.679 2.634 1.121 1.00 0.00 C ATOM 439 CE LYS A 29 -9.195 3.557 0.000 1.00 0.00 C ATOM 440 NZ LYS A 29 -10.439 4.063 -0.645 1.00 0.00 N ATOM 0 H LYS A 29 -6.367 0.041 1.223 1.00 0.00 H new ATOM 0 HA LYS A 29 -6.497 2.956 0.979 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.536 0.845 2.954 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -8.031 2.526 2.986 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.236 1.252 0.295 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.289 0.542 1.502 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -10.690 2.285 0.908 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -9.722 3.181 2.063 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -8.594 4.376 0.395 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.571 3.018 -0.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -10.190 4.704 -1.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -10.988 3.262 -1.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -11.009 4.577 0.056 1.00 0.00 H new ATOM 454 N ILE A 30 -4.951 1.674 3.601 1.00 0.00 N ATOM 455 CA ILE A 30 -3.942 2.018 4.651 1.00 0.00 C ATOM 456 C ILE A 30 -2.670 2.521 3.965 1.00 0.00 C ATOM 457 O ILE A 30 -2.038 3.464 4.406 1.00 0.00 O ATOM 458 CB ILE A 30 -3.670 0.705 5.399 1.00 0.00 C ATOM 459 CG1 ILE A 30 -4.956 0.221 6.075 1.00 0.00 C ATOM 460 CG2 ILE A 30 -2.597 0.929 6.468 1.00 0.00 C ATOM 461 CD1 ILE A 30 -4.855 -1.284 6.341 1.00 0.00 C ATOM 0 H ILE A 30 -5.286 0.711 3.625 1.00 0.00 H new ATOM 0 HA ILE A 30 -4.286 2.796 5.333 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.325 -0.044 4.686 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -5.112 0.757 7.011 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.816 0.432 5.439 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -2.408 -0.006 6.995 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.677 1.270 5.994 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -2.941 1.682 7.177 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.770 -1.631 6.822 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -4.719 -1.812 5.397 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -4.004 -1.482 6.993 1.00 0.00 H new ATOM 473 N PHE A 31 -2.313 1.899 2.873 1.00 0.00 N ATOM 474 CA PHE A 31 -1.103 2.331 2.120 1.00 0.00 C ATOM 475 C PHE A 31 -1.400 3.649 1.404 1.00 0.00 C ATOM 476 O PHE A 31 -0.554 4.520 1.312 1.00 0.00 O ATOM 477 CB PHE A 31 -0.840 1.211 1.107 1.00 0.00 C ATOM 478 CG PHE A 31 -0.045 0.105 1.758 1.00 0.00 C ATOM 479 CD1 PHE A 31 1.133 0.402 2.454 1.00 0.00 C ATOM 480 CD2 PHE A 31 -0.486 -1.219 1.664 1.00 0.00 C ATOM 481 CE1 PHE A 31 1.869 -0.623 3.054 1.00 0.00 C ATOM 482 CE2 PHE A 31 0.251 -2.246 2.265 1.00 0.00 C ATOM 483 CZ PHE A 31 1.430 -1.948 2.960 1.00 0.00 C ATOM 0 H PHE A 31 -2.811 1.106 2.469 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.240 2.495 2.765 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.785 0.819 0.732 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -0.296 1.605 0.249 1.00 0.00 H new ATOM 0 HD1 PHE A 31 1.473 1.424 2.527 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.395 -1.449 1.128 1.00 0.00 H new ATOM 0 HE1 PHE A 31 2.777 -0.392 3.591 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -0.089 -3.268 2.193 1.00 0.00 H new ATOM 0 HZ PHE A 31 2.000 -2.740 3.423 1.00 0.00 H new ATOM 493 N LYS A 32 -2.600 3.799 0.900 1.00 0.00 N ATOM 494 CA LYS A 32 -2.971 5.056 0.188 1.00 0.00 C ATOM 495 C LYS A 32 -3.264 6.194 1.177 1.00 0.00 C ATOM 496 O LYS A 32 -3.578 7.299 0.771 1.00 0.00 O ATOM 497 CB LYS A 32 -4.219 4.718 -0.622 1.00 0.00 C ATOM 498 CG LYS A 32 -3.810 3.956 -1.884 1.00 0.00 C ATOM 499 CD LYS A 32 -5.062 3.444 -2.600 1.00 0.00 C ATOM 500 CE LYS A 32 -5.881 4.631 -3.112 1.00 0.00 C ATOM 501 NZ LYS A 32 -7.125 4.028 -3.665 1.00 0.00 N ATOM 0 H LYS A 32 -3.341 3.100 0.953 1.00 0.00 H new ATOM 0 HA LYS A 32 -2.155 5.403 -0.446 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -4.902 4.115 -0.024 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.751 5.631 -0.890 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -3.240 4.608 -2.546 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -3.160 3.121 -1.623 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -4.779 2.798 -3.431 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -5.663 2.842 -1.918 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -6.105 5.332 -2.308 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -5.337 5.186 -3.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -7.295 4.398 -4.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -7.021 2.994 -3.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -7.930 4.270 -3.053 1.00 0.00 H new ATOM 515 N GLN A 33 -3.123 5.957 2.460 1.00 0.00 N ATOM 516 CA GLN A 33 -3.347 7.053 3.455 1.00 0.00 C ATOM 517 C GLN A 33 -1.973 7.392 3.999 1.00 0.00 C ATOM 518 O GLN A 33 -1.555 8.531 4.072 1.00 0.00 O ATOM 519 CB GLN A 33 -4.242 6.449 4.539 1.00 0.00 C ATOM 520 CG GLN A 33 -4.675 7.546 5.514 1.00 0.00 C ATOM 521 CD GLN A 33 -5.767 8.399 4.868 1.00 0.00 C ATOM 522 OE1 GLN A 33 -5.623 9.599 4.743 1.00 0.00 O ATOM 523 NE2 GLN A 33 -6.863 7.827 4.449 1.00 0.00 N ATOM 0 H GLN A 33 -2.863 5.055 2.860 1.00 0.00 H new ATOM 0 HA GLN A 33 -3.816 7.952 3.054 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -5.118 5.985 4.085 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -3.706 5.664 5.073 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -5.045 7.101 6.438 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -3.821 8.169 5.780 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -6.985 6.820 4.554 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -7.598 8.387 4.017 1.00 0.00 H new ATOM 532 N TYR A 34 -1.253 6.356 4.312 1.00 0.00 N ATOM 533 CA TYR A 34 0.149 6.471 4.791 1.00 0.00 C ATOM 534 C TYR A 34 0.962 7.313 3.782 1.00 0.00 C ATOM 535 O TYR A 34 1.774 8.139 4.151 1.00 0.00 O ATOM 536 CB TYR A 34 0.578 4.990 4.795 1.00 0.00 C ATOM 537 CG TYR A 34 2.083 4.829 4.689 1.00 0.00 C ATOM 538 CD1 TYR A 34 2.867 4.794 5.848 1.00 0.00 C ATOM 539 CD2 TYR A 34 2.688 4.718 3.431 1.00 0.00 C ATOM 540 CE1 TYR A 34 4.255 4.647 5.750 1.00 0.00 C ATOM 541 CE2 TYR A 34 4.078 4.571 3.333 1.00 0.00 C ATOM 542 CZ TYR A 34 4.860 4.535 4.493 1.00 0.00 C ATOM 543 OH TYR A 34 6.230 4.391 4.397 1.00 0.00 O ATOM 0 H TYR A 34 -1.593 5.396 4.253 1.00 0.00 H new ATOM 0 HA TYR A 34 0.287 6.960 5.755 1.00 0.00 H new ATOM 0 HB2 TYR A 34 0.227 4.514 5.711 1.00 0.00 H new ATOM 0 HB3 TYR A 34 0.099 4.473 3.963 1.00 0.00 H new ATOM 0 HD1 TYR A 34 2.400 4.880 6.818 1.00 0.00 H new ATOM 0 HD2 TYR A 34 2.083 4.746 2.537 1.00 0.00 H new ATOM 0 HE1 TYR A 34 4.860 4.620 6.645 1.00 0.00 H new ATOM 0 HE2 TYR A 34 4.545 4.486 2.363 1.00 0.00 H new ATOM 0 HH TYR A 34 6.474 3.458 4.571 1.00 0.00 H new ATOM 553 N ALA A 35 0.723 7.098 2.512 1.00 0.00 N ATOM 554 CA ALA A 35 1.449 7.869 1.454 1.00 0.00 C ATOM 555 C ALA A 35 1.153 9.364 1.593 1.00 0.00 C ATOM 556 O ALA A 35 2.051 10.176 1.697 1.00 0.00 O ATOM 557 CB ALA A 35 0.890 7.350 0.126 1.00 0.00 C ATOM 0 H ALA A 35 0.051 6.416 2.160 1.00 0.00 H new ATOM 0 HA ALA A 35 2.529 7.742 1.526 1.00 0.00 H new ATOM 0 HB1 ALA A 35 1.375 7.869 -0.701 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.081 6.280 0.044 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.184 7.531 0.088 1.00 0.00 H new ATOM 563 N ASN A 36 -0.104 9.726 1.587 1.00 0.00 N ATOM 564 CA ASN A 36 -0.480 11.170 1.709 1.00 0.00 C ATOM 565 C ASN A 36 0.062 11.761 3.013 1.00 0.00 C ATOM 566 O ASN A 36 0.667 12.817 3.021 1.00 0.00 O ATOM 567 CB ASN A 36 -2.006 11.190 1.714 1.00 0.00 C ATOM 568 CG ASN A 36 -2.523 11.195 0.274 1.00 0.00 C ATOM 569 OD1 ASN A 36 -3.020 12.196 -0.202 1.00 0.00 O ATOM 570 ND2 ASN A 36 -2.425 10.110 -0.447 1.00 0.00 N ATOM 0 H ASN A 36 -0.891 9.082 1.503 1.00 0.00 H new ATOM 0 HA ASN A 36 -0.065 11.765 0.895 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -2.390 10.319 2.246 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -2.367 12.072 2.244 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -2.766 10.104 -1.408 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -2.008 9.269 -0.049 1.00 0.00 H new ATOM 577 N ASP A 37 -0.155 11.089 4.117 1.00 0.00 N ATOM 578 CA ASP A 37 0.341 11.610 5.432 1.00 0.00 C ATOM 579 C ASP A 37 1.849 11.877 5.385 1.00 0.00 C ATOM 580 O ASP A 37 2.375 12.658 6.156 1.00 0.00 O ATOM 581 CB ASP A 37 0.022 10.514 6.449 1.00 0.00 C ATOM 582 CG ASP A 37 -1.396 10.713 6.987 1.00 0.00 C ATOM 583 OD1 ASP A 37 -1.776 11.855 7.189 1.00 0.00 O ATOM 584 OD2 ASP A 37 -2.077 9.722 7.187 1.00 0.00 O ATOM 0 H ASP A 37 -0.655 10.201 4.166 1.00 0.00 H new ATOM 0 HA ASP A 37 -0.132 12.557 5.690 1.00 0.00 H new ATOM 0 HB2 ASP A 37 0.111 9.533 5.982 1.00 0.00 H new ATOM 0 HB3 ASP A 37 0.740 10.543 7.268 1.00 0.00 H new ATOM 589 N ASN A 38 2.542 11.234 4.486 1.00 0.00 N ATOM 590 CA ASN A 38 4.008 11.435 4.372 1.00 0.00 C ATOM 591 C ASN A 38 4.330 12.336 3.175 1.00 0.00 C ATOM 592 O ASN A 38 5.250 13.131 3.218 1.00 0.00 O ATOM 593 CB ASN A 38 4.587 10.035 4.173 1.00 0.00 C ATOM 594 CG ASN A 38 6.046 10.016 4.633 1.00 0.00 C ATOM 595 OD1 ASN A 38 6.323 9.857 5.806 1.00 0.00 O ATOM 596 ND2 ASN A 38 6.997 10.173 3.754 1.00 0.00 N ATOM 0 H ASN A 38 2.147 10.571 3.819 1.00 0.00 H new ATOM 0 HA ASN A 38 4.428 11.924 5.251 1.00 0.00 H new ATOM 0 HB2 ASN A 38 4.007 9.306 4.739 1.00 0.00 H new ATOM 0 HB3 ASN A 38 4.522 9.749 3.123 1.00 0.00 H new ATOM 0 HD21 ASN A 38 7.973 10.162 4.051 1.00 0.00 H new ATOM 0 HD22 ASN A 38 6.765 10.306 2.770 1.00 0.00 H new ATOM 603 N GLY A 39 3.573 12.221 2.111 1.00 0.00 N ATOM 604 CA GLY A 39 3.823 13.074 0.909 1.00 0.00 C ATOM 605 C GLY A 39 4.073 12.193 -0.321 1.00 0.00 C ATOM 606 O GLY A 39 4.878 12.523 -1.171 1.00 0.00 O ATOM 0 H GLY A 39 2.791 11.572 2.024 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.967 13.725 0.731 1.00 0.00 H new ATOM 0 HA3 GLY A 39 4.684 13.719 1.084 1.00 0.00 H new ATOM 610 N ILE A 40 3.389 11.079 -0.424 1.00 0.00 N ATOM 611 CA ILE A 40 3.581 10.177 -1.598 1.00 0.00 C ATOM 612 C ILE A 40 2.396 10.345 -2.558 1.00 0.00 C ATOM 613 O ILE A 40 1.257 10.112 -2.200 1.00 0.00 O ATOM 614 CB ILE A 40 3.674 8.769 -0.968 1.00 0.00 C ATOM 615 CG1 ILE A 40 5.138 8.454 -0.680 1.00 0.00 C ATOM 616 CG2 ILE A 40 3.116 7.668 -1.875 1.00 0.00 C ATOM 617 CD1 ILE A 40 5.625 9.376 0.426 1.00 0.00 C ATOM 0 H ILE A 40 2.703 10.756 0.259 1.00 0.00 H new ATOM 0 HA ILE A 40 4.467 10.385 -2.197 1.00 0.00 H new ATOM 0 HB ILE A 40 3.073 8.785 -0.059 1.00 0.00 H new ATOM 0 HG12 ILE A 40 5.249 7.412 -0.380 1.00 0.00 H new ATOM 0 HG13 ILE A 40 5.738 8.592 -1.579 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.210 6.703 -1.376 1.00 0.00 H new ATOM 0 HG22 ILE A 40 2.065 7.867 -2.085 1.00 0.00 H new ATOM 0 HG23 ILE A 40 3.675 7.649 -2.810 1.00 0.00 H new ATOM 0 HD11 ILE A 40 6.672 9.162 0.643 1.00 0.00 H new ATOM 0 HD12 ILE A 40 5.525 10.413 0.105 1.00 0.00 H new ATOM 0 HD13 ILE A 40 5.028 9.215 1.323 1.00 0.00 H new ATOM 629 N ASP A 41 2.667 10.753 -3.766 1.00 0.00 N ATOM 630 CA ASP A 41 1.564 10.949 -4.759 1.00 0.00 C ATOM 631 C ASP A 41 2.047 10.676 -6.187 1.00 0.00 C ATOM 632 O ASP A 41 2.793 11.447 -6.759 1.00 0.00 O ATOM 633 CB ASP A 41 1.156 12.414 -4.605 1.00 0.00 C ATOM 634 CG ASP A 41 0.516 12.626 -3.232 1.00 0.00 C ATOM 635 OD1 ASP A 41 -0.564 12.101 -3.016 1.00 0.00 O ATOM 636 OD2 ASP A 41 1.117 13.309 -2.420 1.00 0.00 O ATOM 0 H ASP A 41 3.604 10.960 -4.113 1.00 0.00 H new ATOM 0 HA ASP A 41 0.735 10.264 -4.582 1.00 0.00 H new ATOM 0 HB2 ASP A 41 2.028 13.058 -4.714 1.00 0.00 H new ATOM 0 HB3 ASP A 41 0.454 12.691 -5.391 1.00 0.00 H new ATOM 641 N GLY A 42 1.613 9.583 -6.768 1.00 0.00 N ATOM 642 CA GLY A 42 2.024 9.249 -8.164 1.00 0.00 C ATOM 643 C GLY A 42 1.104 8.155 -8.718 1.00 0.00 C ATOM 644 O GLY A 42 -0.059 8.392 -8.986 1.00 0.00 O ATOM 0 H GLY A 42 0.988 8.906 -6.331 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.970 10.138 -8.793 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.060 8.910 -8.179 1.00 0.00 H new ATOM 648 N GLU A 43 1.617 6.961 -8.891 1.00 0.00 N ATOM 649 CA GLU A 43 0.771 5.847 -9.432 1.00 0.00 C ATOM 650 C GLU A 43 0.513 4.791 -8.347 1.00 0.00 C ATOM 651 O GLU A 43 1.021 4.888 -7.254 1.00 0.00 O ATOM 652 CB GLU A 43 1.588 5.250 -10.583 1.00 0.00 C ATOM 653 CG GLU A 43 0.683 5.017 -11.794 1.00 0.00 C ATOM 654 CD GLU A 43 1.523 5.050 -13.072 1.00 0.00 C ATOM 655 OE1 GLU A 43 2.317 5.966 -13.212 1.00 0.00 O ATOM 656 OE2 GLU A 43 1.359 4.159 -13.889 1.00 0.00 O ATOM 0 H GLU A 43 2.583 6.708 -8.682 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.206 6.198 -9.764 1.00 0.00 H new ATOM 0 HB2 GLU A 43 2.403 5.923 -10.850 1.00 0.00 H new ATOM 0 HB3 GLU A 43 2.041 4.310 -10.270 1.00 0.00 H new ATOM 0 HG2 GLU A 43 0.177 4.056 -11.704 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -0.092 5.783 -11.835 1.00 0.00 H new ATOM 663 N TRP A 44 -0.274 3.784 -8.654 1.00 0.00 N ATOM 664 CA TRP A 44 -0.580 2.703 -7.656 1.00 0.00 C ATOM 665 C TRP A 44 -0.939 1.410 -8.386 1.00 0.00 C ATOM 666 O TRP A 44 -1.769 1.405 -9.276 1.00 0.00 O ATOM 667 CB TRP A 44 -1.803 3.197 -6.879 1.00 0.00 C ATOM 668 CG TRP A 44 -1.376 4.053 -5.740 1.00 0.00 C ATOM 669 CD1 TRP A 44 -1.208 5.394 -5.781 1.00 0.00 C ATOM 670 CD2 TRP A 44 -1.074 3.640 -4.385 1.00 0.00 C ATOM 671 NE1 TRP A 44 -0.806 5.828 -4.531 1.00 0.00 N ATOM 672 CE2 TRP A 44 -0.708 4.781 -3.636 1.00 0.00 C ATOM 673 CE3 TRP A 44 -1.076 2.391 -3.744 1.00 0.00 C ATOM 674 CZ2 TRP A 44 -0.355 4.689 -2.294 1.00 0.00 C ATOM 675 CZ3 TRP A 44 -0.720 2.294 -2.389 1.00 0.00 C ATOM 676 CH2 TRP A 44 -0.359 3.441 -1.667 1.00 0.00 C ATOM 0 H TRP A 44 -0.722 3.663 -9.562 1.00 0.00 H new ATOM 0 HA TRP A 44 0.271 2.502 -7.006 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -2.460 3.761 -7.541 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -2.376 2.347 -6.510 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -1.362 6.022 -6.646 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -0.607 6.801 -4.299 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -1.352 1.503 -4.294 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -0.080 5.575 -1.741 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -0.724 1.331 -1.900 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -0.084 3.359 -0.626 1.00 0.00 H new ATOM 687 N THR A 45 -0.332 0.315 -8.010 1.00 0.00 N ATOM 688 CA THR A 45 -0.656 -0.985 -8.679 1.00 0.00 C ATOM 689 C THR A 45 -0.600 -2.109 -7.657 1.00 0.00 C ATOM 690 O THR A 45 0.341 -2.215 -6.898 1.00 0.00 O ATOM 691 CB THR A 45 0.406 -1.213 -9.770 1.00 0.00 C ATOM 692 OG1 THR A 45 1.610 -1.678 -9.178 1.00 0.00 O ATOM 693 CG2 THR A 45 0.681 0.084 -10.530 1.00 0.00 C ATOM 0 H THR A 45 0.371 0.262 -7.273 1.00 0.00 H new ATOM 0 HA THR A 45 -1.655 -0.964 -9.114 1.00 0.00 H new ATOM 0 HB THR A 45 0.029 -1.959 -10.470 1.00 0.00 H new ATOM 0 HG1 THR A 45 1.540 -1.617 -8.202 1.00 0.00 H new ATOM 0 HG21 THR A 45 1.434 -0.096 -11.297 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.239 0.433 -10.999 1.00 0.00 H new ATOM 0 HG23 THR A 45 1.044 0.842 -9.836 1.00 0.00 H new ATOM 701 N TYR A 46 -1.595 -2.948 -7.642 1.00 0.00 N ATOM 702 CA TYR A 46 -1.603 -4.080 -6.672 1.00 0.00 C ATOM 703 C TYR A 46 -1.094 -5.354 -7.358 1.00 0.00 C ATOM 704 O TYR A 46 -1.522 -5.699 -8.444 1.00 0.00 O ATOM 705 CB TYR A 46 -3.067 -4.235 -6.229 1.00 0.00 C ATOM 706 CG TYR A 46 -3.219 -5.492 -5.394 1.00 0.00 C ATOM 707 CD1 TYR A 46 -2.449 -5.658 -4.237 1.00 0.00 C ATOM 708 CD2 TYR A 46 -4.113 -6.494 -5.789 1.00 0.00 C ATOM 709 CE1 TYR A 46 -2.573 -6.825 -3.474 1.00 0.00 C ATOM 710 CE2 TYR A 46 -4.237 -7.660 -5.025 1.00 0.00 C ATOM 711 CZ TYR A 46 -3.468 -7.826 -3.868 1.00 0.00 C ATOM 712 OH TYR A 46 -3.591 -8.976 -3.115 1.00 0.00 O ATOM 0 H TYR A 46 -2.405 -2.900 -8.260 1.00 0.00 H new ATOM 0 HA TYR A 46 -0.953 -3.898 -5.816 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -3.376 -3.364 -5.652 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.718 -4.286 -7.102 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -1.759 -4.885 -3.933 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -4.706 -6.367 -6.682 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -1.978 -6.953 -2.582 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -4.927 -8.433 -5.329 1.00 0.00 H new ATOM 0 HH TYR A 46 -3.226 -9.735 -3.616 1.00 0.00 H new ATOM 722 N ASP A 47 -0.197 -6.057 -6.719 1.00 0.00 N ATOM 723 CA ASP A 47 0.332 -7.318 -7.310 1.00 0.00 C ATOM 724 C ASP A 47 -0.336 -8.514 -6.633 1.00 0.00 C ATOM 725 O ASP A 47 0.046 -8.918 -5.550 1.00 0.00 O ATOM 726 CB ASP A 47 1.834 -7.305 -7.022 1.00 0.00 C ATOM 727 CG ASP A 47 2.483 -6.115 -7.732 1.00 0.00 C ATOM 728 OD1 ASP A 47 2.786 -6.245 -8.907 1.00 0.00 O ATOM 729 OD2 ASP A 47 2.667 -5.095 -7.088 1.00 0.00 O ATOM 0 H ASP A 47 0.193 -5.810 -5.809 1.00 0.00 H new ATOM 0 HA ASP A 47 0.135 -7.393 -8.379 1.00 0.00 H new ATOM 0 HB2 ASP A 47 2.008 -7.239 -5.948 1.00 0.00 H new ATOM 0 HB3 ASP A 47 2.288 -8.236 -7.362 1.00 0.00 H new ATOM 734 N ASP A 48 -1.334 -9.081 -7.266 1.00 0.00 N ATOM 735 CA ASP A 48 -2.043 -10.256 -6.667 1.00 0.00 C ATOM 736 C ASP A 48 -1.142 -11.503 -6.649 1.00 0.00 C ATOM 737 O ASP A 48 -1.494 -12.518 -6.076 1.00 0.00 O ATOM 738 CB ASP A 48 -3.269 -10.488 -7.557 1.00 0.00 C ATOM 739 CG ASP A 48 -2.824 -10.754 -8.999 1.00 0.00 C ATOM 740 OD1 ASP A 48 -2.397 -11.864 -9.271 1.00 0.00 O ATOM 741 OD2 ASP A 48 -2.920 -9.843 -9.805 1.00 0.00 O ATOM 0 H ASP A 48 -1.689 -8.780 -8.174 1.00 0.00 H new ATOM 0 HA ASP A 48 -2.320 -10.066 -5.630 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.846 -11.334 -7.183 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.923 -9.617 -7.524 1.00 0.00 H new ATOM 746 N ALA A 49 0.016 -11.435 -7.260 1.00 0.00 N ATOM 747 CA ALA A 49 0.938 -12.605 -7.271 1.00 0.00 C ATOM 748 C ALA A 49 1.868 -12.534 -6.060 1.00 0.00 C ATOM 749 O ALA A 49 2.308 -13.544 -5.543 1.00 0.00 O ATOM 750 CB ALA A 49 1.735 -12.472 -8.569 1.00 0.00 C ATOM 0 H ALA A 49 0.361 -10.612 -7.754 1.00 0.00 H new ATOM 0 HA ALA A 49 0.409 -13.557 -7.220 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.439 -13.300 -8.650 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.052 -12.491 -9.419 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.283 -11.530 -8.565 1.00 0.00 H new ATOM 756 N THR A 50 2.153 -11.343 -5.595 1.00 0.00 N ATOM 757 CA THR A 50 3.037 -11.188 -4.407 1.00 0.00 C ATOM 758 C THR A 50 2.302 -10.427 -3.296 1.00 0.00 C ATOM 759 O THR A 50 2.881 -10.099 -2.278 1.00 0.00 O ATOM 760 CB THR A 50 4.235 -10.381 -4.909 1.00 0.00 C ATOM 761 OG1 THR A 50 3.781 -9.146 -5.445 1.00 0.00 O ATOM 762 CG2 THR A 50 4.964 -11.174 -5.993 1.00 0.00 C ATOM 0 H THR A 50 1.808 -10.469 -5.992 1.00 0.00 H new ATOM 0 HA THR A 50 3.339 -12.148 -3.988 1.00 0.00 H new ATOM 0 HB THR A 50 4.918 -10.187 -4.082 1.00 0.00 H new ATOM 0 HG1 THR A 50 4.548 -8.627 -5.766 1.00 0.00 H new ATOM 0 HG21 THR A 50 5.818 -10.600 -6.352 1.00 0.00 H new ATOM 0 HG22 THR A 50 5.311 -12.121 -5.580 1.00 0.00 H new ATOM 0 HG23 THR A 50 4.283 -11.368 -6.822 1.00 0.00 H new ATOM 770 N LYS A 51 1.027 -10.135 -3.483 1.00 0.00 N ATOM 771 CA LYS A 51 0.252 -9.389 -2.438 1.00 0.00 C ATOM 772 C LYS A 51 0.962 -8.078 -2.091 1.00 0.00 C ATOM 773 O LYS A 51 0.966 -7.644 -0.954 1.00 0.00 O ATOM 774 CB LYS A 51 0.194 -10.318 -1.217 1.00 0.00 C ATOM 775 CG LYS A 51 -0.497 -11.631 -1.597 1.00 0.00 C ATOM 776 CD LYS A 51 -2.001 -11.506 -1.351 1.00 0.00 C ATOM 777 CE LYS A 51 -2.712 -12.761 -1.863 1.00 0.00 C ATOM 778 NZ LYS A 51 -3.894 -12.923 -0.971 1.00 0.00 N ATOM 0 H LYS A 51 0.494 -10.384 -4.317 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.748 -9.128 -2.783 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.202 -10.519 -0.853 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -0.348 -9.833 -0.405 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -0.307 -11.864 -2.645 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -0.089 -12.453 -1.009 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -2.196 -11.374 -0.287 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -2.390 -10.623 -1.858 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -3.015 -12.646 -2.904 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -2.059 -13.632 -1.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -4.433 -13.764 -1.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -3.574 -13.037 0.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -4.501 -12.081 -1.043 1.00 0.00 H new ATOM 792 N THR A 52 1.566 -7.449 -3.068 1.00 0.00 N ATOM 793 CA THR A 52 2.283 -6.163 -2.802 1.00 0.00 C ATOM 794 C THR A 52 1.790 -5.069 -3.755 1.00 0.00 C ATOM 795 O THR A 52 1.495 -5.325 -4.905 1.00 0.00 O ATOM 796 CB THR A 52 3.759 -6.470 -3.056 1.00 0.00 C ATOM 797 OG1 THR A 52 4.147 -7.590 -2.273 1.00 0.00 O ATOM 798 CG2 THR A 52 4.608 -5.258 -2.672 1.00 0.00 C ATOM 0 H THR A 52 1.594 -7.769 -4.036 1.00 0.00 H new ATOM 0 HA THR A 52 2.110 -5.800 -1.789 1.00 0.00 H new ATOM 0 HB THR A 52 3.908 -6.694 -4.112 1.00 0.00 H new ATOM 0 HG1 THR A 52 3.652 -8.383 -2.568 1.00 0.00 H new ATOM 0 HG21 THR A 52 5.660 -5.478 -2.854 1.00 0.00 H new ATOM 0 HG22 THR A 52 4.308 -4.399 -3.272 1.00 0.00 H new ATOM 0 HG23 THR A 52 4.462 -5.031 -1.616 1.00 0.00 H new ATOM 806 N PHE A 53 1.702 -3.849 -3.282 1.00 0.00 N ATOM 807 CA PHE A 53 1.231 -2.734 -4.158 1.00 0.00 C ATOM 808 C PHE A 53 2.434 -2.007 -4.777 1.00 0.00 C ATOM 809 O PHE A 53 3.557 -2.465 -4.667 1.00 0.00 O ATOM 810 CB PHE A 53 0.438 -1.813 -3.228 1.00 0.00 C ATOM 811 CG PHE A 53 -0.847 -2.499 -2.819 1.00 0.00 C ATOM 812 CD1 PHE A 53 -0.838 -3.449 -1.788 1.00 0.00 C ATOM 813 CD2 PHE A 53 -2.049 -2.188 -3.469 1.00 0.00 C ATOM 814 CE1 PHE A 53 -2.030 -4.086 -1.409 1.00 0.00 C ATOM 815 CE2 PHE A 53 -3.236 -2.825 -3.088 1.00 0.00 C ATOM 816 CZ PHE A 53 -3.226 -3.773 -2.060 1.00 0.00 C ATOM 0 H PHE A 53 1.936 -3.579 -2.327 1.00 0.00 H new ATOM 0 HA PHE A 53 0.620 -3.080 -4.991 1.00 0.00 H new ATOM 0 HB2 PHE A 53 1.031 -1.571 -2.346 1.00 0.00 H new ATOM 0 HB3 PHE A 53 0.217 -0.872 -3.732 1.00 0.00 H new ATOM 0 HD1 PHE A 53 0.087 -3.691 -1.285 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -2.060 -1.457 -4.264 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -2.023 -4.818 -0.615 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -4.162 -2.584 -3.589 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.143 -4.263 -1.769 1.00 0.00 H new ATOM 826 N THR A 54 2.221 -0.879 -5.423 1.00 0.00 N ATOM 827 CA THR A 54 3.358 -0.137 -6.035 1.00 0.00 C ATOM 828 C THR A 54 2.950 1.318 -6.151 1.00 0.00 C ATOM 829 O THR A 54 2.323 1.725 -7.112 1.00 0.00 O ATOM 830 CB THR A 54 3.576 -0.753 -7.420 1.00 0.00 C ATOM 831 OG1 THR A 54 3.271 -2.141 -7.387 1.00 0.00 O ATOM 832 CG2 THR A 54 5.035 -0.561 -7.835 1.00 0.00 C ATOM 0 H THR A 54 1.306 -0.447 -5.548 1.00 0.00 H new ATOM 0 HA THR A 54 4.275 -0.198 -5.448 1.00 0.00 H new ATOM 0 HB THR A 54 2.921 -0.261 -8.139 1.00 0.00 H new ATOM 0 HG1 THR A 54 2.978 -2.433 -8.275 1.00 0.00 H new ATOM 0 HG21 THR A 54 5.194 -0.999 -8.821 1.00 0.00 H new ATOM 0 HG22 THR A 54 5.267 0.504 -7.869 1.00 0.00 H new ATOM 0 HG23 THR A 54 5.687 -1.051 -7.112 1.00 0.00 H new ATOM 840 N VAL A 55 3.276 2.094 -5.160 1.00 0.00 N ATOM 841 CA VAL A 55 2.881 3.531 -5.181 1.00 0.00 C ATOM 842 C VAL A 55 4.018 4.406 -5.714 1.00 0.00 C ATOM 843 O VAL A 55 4.986 4.687 -5.033 1.00 0.00 O ATOM 844 CB VAL A 55 2.478 3.897 -3.732 1.00 0.00 C ATOM 845 CG1 VAL A 55 3.552 3.478 -2.726 1.00 0.00 C ATOM 846 CG2 VAL A 55 2.249 5.407 -3.618 1.00 0.00 C ATOM 0 H VAL A 55 3.799 1.798 -4.335 1.00 0.00 H new ATOM 0 HA VAL A 55 2.043 3.706 -5.856 1.00 0.00 H new ATOM 0 HB VAL A 55 1.559 3.359 -3.501 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.234 3.751 -1.720 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.700 2.399 -2.780 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.488 3.985 -2.961 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.966 5.656 -2.595 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.166 5.935 -3.879 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.452 5.706 -4.298 1.00 0.00 H new ATOM 856 N THR A 56 3.876 4.853 -6.931 1.00 0.00 N ATOM 857 CA THR A 56 4.905 5.735 -7.543 1.00 0.00 C ATOM 858 C THR A 56 4.605 7.184 -7.125 1.00 0.00 C ATOM 859 O THR A 56 3.562 7.465 -6.564 1.00 0.00 O ATOM 860 CB THR A 56 4.741 5.498 -9.064 1.00 0.00 C ATOM 861 OG1 THR A 56 5.512 4.366 -9.441 1.00 0.00 O ATOM 862 CG2 THR A 56 5.204 6.711 -9.884 1.00 0.00 C ATOM 0 H THR A 56 3.081 4.641 -7.533 1.00 0.00 H new ATOM 0 HA THR A 56 5.931 5.532 -7.234 1.00 0.00 H new ATOM 0 HB THR A 56 3.683 5.335 -9.268 1.00 0.00 H new ATOM 0 HG1 THR A 56 5.412 4.208 -10.403 1.00 0.00 H new ATOM 0 HG21 THR A 56 5.072 6.504 -10.946 1.00 0.00 H new ATOM 0 HG22 THR A 56 4.612 7.584 -9.608 1.00 0.00 H new ATOM 0 HG23 THR A 56 6.257 6.907 -9.680 1.00 0.00 H new ATOM 870 N GLU A 57 5.507 8.094 -7.387 1.00 0.00 N ATOM 871 CA GLU A 57 5.270 9.518 -7.002 1.00 0.00 C ATOM 872 C GLU A 57 5.497 10.436 -8.206 1.00 0.00 C ATOM 873 O GLU A 57 6.371 10.132 -9.002 1.00 0.00 O ATOM 874 CB GLU A 57 6.296 9.810 -5.904 1.00 0.00 C ATOM 875 CG GLU A 57 5.814 9.221 -4.574 1.00 0.00 C ATOM 876 CD GLU A 57 6.556 7.914 -4.287 1.00 0.00 C ATOM 877 OE1 GLU A 57 6.330 6.955 -5.007 1.00 0.00 O ATOM 878 OE2 GLU A 57 7.341 7.893 -3.353 1.00 0.00 O ATOM 879 OXT GLU A 57 4.792 11.427 -8.312 1.00 0.00 O ATOM 0 H GLU A 57 6.397 7.913 -7.851 1.00 0.00 H new ATOM 0 HA GLU A 57 4.249 9.688 -6.660 1.00 0.00 H new ATOM 0 HB2 GLU A 57 7.262 9.382 -6.173 1.00 0.00 H new ATOM 0 HB3 GLU A 57 6.440 10.886 -5.805 1.00 0.00 H new ATOM 0 HG2 GLU A 57 5.987 9.933 -3.767 1.00 0.00 H new ATOM 0 HG3 GLU A 57 4.740 9.039 -4.614 1.00 0.00 H new