USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 709 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 1 MET CE :methyl -174:sc= -2.61 (180deg=-2.65) USER MOD Single : A 1 MET N :NH3+ -147:sc= 0.278 (180deg=-0.361!) USER MOD Single : A 3 MET CE :methyl -144:sc= -0.457 (180deg=-1.93) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -169:sc= -0.0126 (180deg=-0.185) USER MOD Single : A 22 MET CE :methyl 160:sc= -1.9 (180deg=-2.81!) USER MOD Single : A 25 GLN : amide:sc=-0.00665 X(o=-0.0066,f=-0.5) USER MOD Single : A 28 LYS NZ :NH3+ -137:sc= -0.0392 (180deg=-0.342) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.0532 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 108:sc= -0.207 USER MOD Single : A 40 ASN :FLIP amide:sc= 0 F(o=-0.73,f=0) USER MOD Single : A 47 THR OG1 : rot -88:sc= 0.448 USER MOD Single : A 52 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 55 LYS NZ :NH3+ 165:sc= -0.0209 (180deg=-0.257) USER MOD Single : A 59 LYS NZ :NH3+ -170:sc= 0.406 (180deg=0.178) USER MOD Single : A 66 LYS NZ :NH3+ 162:sc= -0.0677 (180deg=-0.358) USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot -150:sc= -0.115 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot -74:sc= -0.509 USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 81 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 82 HIS : no HE2:sc= -0.123 K(o=-0.12,f=-1.1) USER MOD Single : A 83 HIS :FLIP no HD1:sc= 0.00596 F(o=-0.62,f=0.006) USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 85 HIS : no HD1:sc= -0.116 X(o=-0.12,f=-0.28) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.869 14.419 5.799 1.00 51.13 N ATOM 2 CA MET A 1 -4.576 13.254 5.205 1.00 40.44 C ATOM 3 C MET A 1 -3.642 12.034 5.183 1.00 63.33 C ATOM 4 O MET A 1 -2.699 11.977 4.392 1.00 73.13 O ATOM 5 CB MET A 1 -5.065 13.600 3.785 1.00 24.24 C ATOM 6 CG MET A 1 -6.197 12.714 3.269 1.00 11.53 C ATOM 7 SD MET A 1 -5.718 10.986 3.046 1.00 32.55 S ATOM 8 CE MET A 1 -4.442 11.141 1.800 1.00 30.35 C ATOM 0 H1 MET A 1 -4.550 15.011 6.317 1.00 51.13 H new ATOM 0 H2 MET A 1 -3.135 14.082 6.454 1.00 51.13 H new ATOM 0 H3 MET A 1 -3.428 14.980 5.043 1.00 51.13 H new ATOM 0 HA MET A 1 -5.447 13.011 5.814 1.00 40.44 H new ATOM 0 HB2 MET A 1 -5.399 14.638 3.773 1.00 24.24 H new ATOM 0 HB3 MET A 1 -4.223 13.528 3.097 1.00 24.24 H new ATOM 0 HG2 MET A 1 -7.033 12.764 3.967 1.00 11.53 H new ATOM 0 HG3 MET A 1 -6.552 13.110 2.317 1.00 11.53 H new ATOM 0 HE1 MET A 1 -4.123 10.149 1.480 1.00 30.35 H new ATOM 0 HE2 MET A 1 -4.834 11.690 0.944 1.00 30.35 H new ATOM 0 HE3 MET A 1 -3.590 11.679 2.216 1.00 30.35 H new ATOM 20 N GLU A 2 -3.886 11.081 6.081 1.00 73.32 N ATOM 21 CA GLU A 2 -3.039 9.887 6.198 1.00 22.41 C ATOM 22 C GLU A 2 -3.703 8.660 5.550 1.00 62.14 C ATOM 23 O GLU A 2 -4.932 8.527 5.553 1.00 33.34 O ATOM 24 CB GLU A 2 -2.744 9.604 7.678 1.00 41.15 C ATOM 25 CG GLU A 2 -1.709 8.505 7.908 1.00 34.31 C ATOM 26 CD GLU A 2 -1.531 8.173 9.379 1.00 24.21 C ATOM 27 OE1 GLU A 2 -0.701 8.816 10.052 1.00 23.42 O ATOM 28 OE2 GLU A 2 -2.244 7.281 9.877 1.00 64.13 O ATOM 0 H GLU A 2 -4.663 11.109 6.741 1.00 73.32 H new ATOM 0 HA GLU A 2 -2.106 10.080 5.669 1.00 22.41 H new ATOM 0 HB2 GLU A 2 -2.394 10.522 8.150 1.00 41.15 H new ATOM 0 HB3 GLU A 2 -3.673 9.324 8.175 1.00 41.15 H new ATOM 0 HG2 GLU A 2 -2.012 7.607 7.370 1.00 34.31 H new ATOM 0 HG3 GLU A 2 -0.752 8.819 7.491 1.00 34.31 H new ATOM 35 N MET A 3 -2.882 7.754 5.016 1.00 61.11 N ATOM 36 CA MET A 3 -3.388 6.573 4.306 1.00 43.20 C ATOM 37 C MET A 3 -2.840 5.259 4.900 1.00 12.34 C ATOM 38 O MET A 3 -1.628 5.062 5.001 1.00 51.14 O ATOM 39 CB MET A 3 -3.033 6.676 2.818 1.00 52.42 C ATOM 40 CG MET A 3 -3.629 5.569 1.963 1.00 44.44 C ATOM 41 SD MET A 3 -3.441 5.884 0.197 1.00 30.41 S ATOM 42 CE MET A 3 -4.370 4.517 -0.492 1.00 41.12 C ATOM 0 H MET A 3 -1.865 7.813 5.060 1.00 61.11 H new ATOM 0 HA MET A 3 -4.471 6.550 4.424 1.00 43.20 H new ATOM 0 HB2 MET A 3 -3.376 7.639 2.439 1.00 52.42 H new ATOM 0 HB3 MET A 3 -1.948 6.659 2.712 1.00 52.42 H new ATOM 0 HG2 MET A 3 -3.149 4.623 2.213 1.00 44.44 H new ATOM 0 HG3 MET A 3 -4.688 5.462 2.199 1.00 44.44 H new ATOM 0 HE1 MET A 3 -3.886 4.172 -1.406 1.00 41.12 H new ATOM 0 HE2 MET A 3 -4.406 3.701 0.230 1.00 41.12 H new ATOM 0 HE3 MET A 3 -5.384 4.845 -0.720 1.00 41.12 H new ATOM 52 N ASP A 4 -3.753 4.366 5.283 1.00 60.51 N ATOM 53 CA ASP A 4 -3.403 3.054 5.845 1.00 31.32 C ATOM 54 C ASP A 4 -3.662 1.932 4.819 1.00 63.02 C ATOM 55 O ASP A 4 -4.804 1.696 4.422 1.00 63.25 O ATOM 56 CB ASP A 4 -4.224 2.832 7.127 1.00 24.32 C ATOM 57 CG ASP A 4 -4.114 1.423 7.690 1.00 11.15 C ATOM 58 OD1 ASP A 4 -3.194 1.160 8.491 1.00 1.03 O ATOM 59 OD2 ASP A 4 -4.973 0.576 7.352 1.00 64.24 O ATOM 0 H ASP A 4 -4.758 4.529 5.214 1.00 60.51 H new ATOM 0 HA ASP A 4 -2.341 3.030 6.087 1.00 31.32 H new ATOM 0 HB2 ASP A 4 -3.896 3.543 7.885 1.00 24.32 H new ATOM 0 HB3 ASP A 4 -5.272 3.049 6.919 1.00 24.32 H new ATOM 64 N ILE A 5 -2.598 1.256 4.383 1.00 0.12 N ATOM 65 CA ILE A 5 -2.702 0.178 3.384 1.00 41.14 C ATOM 66 C ILE A 5 -2.168 -1.151 3.946 1.00 31.32 C ATOM 67 O ILE A 5 -1.181 -1.170 4.674 1.00 63.41 O ATOM 68 CB ILE A 5 -1.909 0.525 2.094 1.00 35.23 C ATOM 69 CG1 ILE A 5 -2.337 1.899 1.546 1.00 24.24 C ATOM 70 CG2 ILE A 5 -2.100 -0.562 1.034 1.00 54.41 C ATOM 71 CD1 ILE A 5 -1.561 2.337 0.321 1.00 1.54 C ATOM 0 H ILE A 5 -1.647 1.434 4.705 1.00 0.12 H new ATOM 0 HA ILE A 5 -3.760 0.074 3.141 1.00 41.14 H new ATOM 0 HB ILE A 5 -0.850 0.573 2.347 1.00 35.23 H new ATOM 0 HG12 ILE A 5 -3.398 1.867 1.300 1.00 24.24 H new ATOM 0 HG13 ILE A 5 -2.214 2.647 2.329 1.00 24.24 H new ATOM 0 HG21 ILE A 5 -1.537 -0.300 0.138 1.00 54.41 H new ATOM 0 HG22 ILE A 5 -1.742 -1.516 1.422 1.00 54.41 H new ATOM 0 HG23 ILE A 5 -3.158 -0.646 0.785 1.00 54.41 H new ATOM 0 HD11 ILE A 5 -1.919 3.313 -0.007 1.00 1.54 H new ATOM 0 HD12 ILE A 5 -0.501 2.403 0.566 1.00 1.54 H new ATOM 0 HD13 ILE A 5 -1.704 1.611 -0.479 1.00 1.54 H new ATOM 83 N ARG A 6 -2.825 -2.259 3.608 1.00 2.33 N ATOM 84 CA ARG A 6 -2.405 -3.592 4.077 1.00 70.31 C ATOM 85 C ARG A 6 -2.637 -4.682 3.013 1.00 11.32 C ATOM 86 O ARG A 6 -3.763 -4.889 2.550 1.00 13.11 O ATOM 87 CB ARG A 6 -3.153 -3.946 5.372 1.00 60.11 C ATOM 88 CG ARG A 6 -2.567 -3.287 6.620 1.00 2.10 C ATOM 89 CD ARG A 6 -3.551 -3.265 7.782 1.00 12.50 C ATOM 90 NE ARG A 6 -4.596 -2.266 7.578 1.00 43.24 N ATOM 91 CZ ARG A 6 -5.860 -2.537 7.438 1.00 54.21 C ATOM 92 NH1 ARG A 6 -6.282 -3.764 7.423 1.00 13.25 N ATOM 93 NH2 ARG A 6 -6.697 -1.567 7.291 1.00 62.14 N ATOM 0 H ARG A 6 -3.652 -2.267 3.011 1.00 2.33 H new ATOM 0 HA ARG A 6 -1.333 -3.553 4.270 1.00 70.31 H new ATOM 0 HB2 ARG A 6 -4.197 -3.649 5.271 1.00 60.11 H new ATOM 0 HB3 ARG A 6 -3.141 -5.028 5.504 1.00 60.11 H new ATOM 0 HG2 ARG A 6 -1.666 -3.822 6.921 1.00 2.10 H new ATOM 0 HG3 ARG A 6 -2.267 -2.266 6.382 1.00 2.10 H new ATOM 0 HD2 ARG A 6 -4.004 -4.250 7.895 1.00 12.50 H new ATOM 0 HD3 ARG A 6 -3.018 -3.051 8.708 1.00 12.50 H new ATOM 0 HE ARG A 6 -4.315 -1.286 7.543 1.00 43.24 H new ATOM 0 HH11 ARG A 6 -5.619 -4.533 7.522 1.00 13.25 H new ATOM 0 HH12 ARG A 6 -7.277 -3.960 7.312 1.00 13.25 H new ATOM 0 HH21 ARG A 6 -6.364 -0.603 7.286 1.00 62.14 H new ATOM 0 HH22 ARG A 6 -7.692 -1.764 7.180 1.00 62.14 H new ATOM 107 N PHE A 7 -1.567 -5.384 2.638 1.00 62.05 N ATOM 108 CA PHE A 7 -1.646 -6.462 1.638 1.00 41.20 C ATOM 109 C PHE A 7 -1.607 -7.850 2.297 1.00 13.54 C ATOM 110 O PHE A 7 -0.677 -8.169 3.030 1.00 63.21 O ATOM 111 CB PHE A 7 -0.482 -6.354 0.640 1.00 31.20 C ATOM 112 CG PHE A 7 -0.542 -5.145 -0.258 1.00 11.22 C ATOM 113 CD1 PHE A 7 -1.232 -5.195 -1.462 1.00 70.15 C ATOM 114 CD2 PHE A 7 0.104 -3.966 0.090 1.00 24.45 C ATOM 115 CE1 PHE A 7 -1.278 -4.096 -2.296 1.00 70.40 C ATOM 116 CE2 PHE A 7 0.057 -2.863 -0.742 1.00 21.04 C ATOM 117 CZ PHE A 7 -0.632 -2.929 -1.937 1.00 14.32 C ATOM 0 H PHE A 7 -0.630 -5.228 3.010 1.00 62.05 H new ATOM 0 HA PHE A 7 -2.596 -6.348 1.117 1.00 41.20 H new ATOM 0 HB2 PHE A 7 0.456 -6.333 1.195 1.00 31.20 H new ATOM 0 HB3 PHE A 7 -0.466 -7.251 0.021 1.00 31.20 H new ATOM 0 HD1 PHE A 7 -1.739 -6.104 -1.749 1.00 70.15 H new ATOM 0 HD2 PHE A 7 0.649 -3.910 1.021 1.00 24.45 H new ATOM 0 HE1 PHE A 7 -1.819 -4.149 -3.229 1.00 70.40 H new ATOM 0 HE2 PHE A 7 0.559 -1.950 -0.458 1.00 21.04 H new ATOM 0 HZ PHE A 7 -0.666 -2.069 -2.590 1.00 14.32 H new ATOM 127 N ARG A 8 -2.602 -8.679 2.004 1.00 63.44 N ATOM 128 CA ARG A 8 -2.635 -10.059 2.497 1.00 64.22 C ATOM 129 C ARG A 8 -2.270 -11.044 1.374 1.00 60.50 C ATOM 130 O ARG A 8 -2.961 -11.126 0.357 1.00 73.34 O ATOM 131 CB ARG A 8 -4.031 -10.384 3.060 1.00 60.24 C ATOM 132 CG ARG A 8 -4.268 -11.869 3.344 1.00 21.42 C ATOM 133 CD ARG A 8 -3.384 -12.407 4.468 1.00 2.43 C ATOM 134 NE ARG A 8 -3.361 -13.869 4.476 1.00 74.21 N ATOM 135 CZ ARG A 8 -3.335 -14.615 5.547 1.00 13.41 C ATOM 136 NH1 ARG A 8 -3.389 -14.097 6.732 1.00 75.24 N ATOM 137 NH2 ARG A 8 -3.266 -15.897 5.422 1.00 61.35 N ATOM 0 H ARG A 8 -3.402 -8.422 1.425 1.00 63.44 H new ATOM 0 HA ARG A 8 -1.899 -10.161 3.295 1.00 64.22 H new ATOM 0 HB2 ARG A 8 -4.177 -9.822 3.983 1.00 60.24 H new ATOM 0 HB3 ARG A 8 -4.784 -10.037 2.353 1.00 60.24 H new ATOM 0 HG2 ARG A 8 -5.315 -12.021 3.607 1.00 21.42 H new ATOM 0 HG3 ARG A 8 -4.081 -12.442 2.436 1.00 21.42 H new ATOM 0 HD2 ARG A 8 -2.370 -12.026 4.349 1.00 2.43 H new ATOM 0 HD3 ARG A 8 -3.751 -12.042 5.427 1.00 2.43 H new ATOM 0 HE ARG A 8 -3.366 -14.344 3.573 1.00 74.21 H new ATOM 0 HH11 ARG A 8 -3.453 -13.085 6.844 1.00 75.24 H new ATOM 0 HH12 ARG A 8 -3.367 -14.701 7.554 1.00 75.24 H new ATOM 0 HH21 ARG A 8 -3.232 -16.318 4.493 1.00 61.35 H new ATOM 0 HH22 ARG A 8 -3.245 -16.490 6.252 1.00 61.35 H new ATOM 151 N GLY A 9 -1.194 -11.800 1.574 1.00 1.22 N ATOM 152 CA GLY A 9 -0.756 -12.770 0.578 1.00 3.12 C ATOM 153 C GLY A 9 0.363 -13.675 1.079 1.00 74.43 C ATOM 154 O GLY A 9 1.206 -13.258 1.873 1.00 63.31 O ATOM 0 H GLY A 9 -0.613 -11.760 2.412 1.00 1.22 H new ATOM 0 HA2 GLY A 9 -1.606 -13.384 0.279 1.00 3.12 H new ATOM 0 HA3 GLY A 9 -0.416 -12.240 -0.312 1.00 3.12 H new ATOM 158 N ASP A 10 0.371 -14.924 0.619 1.00 62.22 N ATOM 159 CA ASP A 10 1.409 -15.886 1.006 1.00 1.55 C ATOM 160 C ASP A 10 2.570 -15.928 -0.010 1.00 2.40 C ATOM 161 O ASP A 10 3.507 -16.718 0.138 1.00 23.33 O ATOM 162 CB ASP A 10 0.790 -17.278 1.179 1.00 24.12 C ATOM 163 CG ASP A 10 0.064 -17.748 -0.067 1.00 52.25 C ATOM 164 OD1 ASP A 10 -1.054 -17.258 -0.328 1.00 4.42 O ATOM 165 OD2 ASP A 10 0.601 -18.606 -0.794 1.00 10.53 O ATOM 0 H ASP A 10 -0.329 -15.297 -0.023 1.00 62.22 H new ATOM 0 HA ASP A 10 1.830 -15.558 1.956 1.00 1.55 H new ATOM 0 HB2 ASP A 10 1.574 -17.992 1.430 1.00 24.12 H new ATOM 0 HB3 ASP A 10 0.093 -17.261 2.017 1.00 24.12 H new ATOM 170 N ASP A 11 2.508 -15.071 -1.029 1.00 71.42 N ATOM 171 CA ASP A 11 3.572 -14.979 -2.040 1.00 34.21 C ATOM 172 C ASP A 11 4.788 -14.191 -1.526 1.00 12.45 C ATOM 173 O ASP A 11 4.649 -13.109 -0.952 1.00 5.23 O ATOM 174 CB ASP A 11 3.038 -14.323 -3.319 1.00 4.44 C ATOM 175 CG ASP A 11 2.176 -15.265 -4.135 1.00 64.21 C ATOM 176 OD1 ASP A 11 2.735 -16.027 -4.955 1.00 62.53 O ATOM 177 OD2 ASP A 11 0.942 -15.247 -3.970 1.00 3.01 O ATOM 0 H ASP A 11 1.732 -14.427 -1.180 1.00 71.42 H new ATOM 0 HA ASP A 11 3.897 -15.996 -2.258 1.00 34.21 H new ATOM 0 HB2 ASP A 11 2.457 -13.439 -3.055 1.00 4.44 H new ATOM 0 HB3 ASP A 11 3.876 -13.983 -3.927 1.00 4.44 H new ATOM 182 N LEU A 12 5.983 -14.731 -1.764 1.00 43.34 N ATOM 183 CA LEU A 12 7.228 -14.096 -1.319 1.00 35.33 C ATOM 184 C LEU A 12 7.541 -12.828 -2.135 1.00 42.43 C ATOM 185 O LEU A 12 7.768 -11.755 -1.569 1.00 13.45 O ATOM 186 CB LEU A 12 8.393 -15.093 -1.423 1.00 24.11 C ATOM 187 CG LEU A 12 9.759 -14.577 -0.933 1.00 4.21 C ATOM 188 CD1 LEU A 12 9.703 -14.212 0.549 1.00 44.30 C ATOM 189 CD2 LEU A 12 10.853 -15.612 -1.197 1.00 31.33 C ATOM 0 H LEU A 12 6.118 -15.610 -2.264 1.00 43.34 H new ATOM 0 HA LEU A 12 7.098 -13.798 -0.279 1.00 35.33 H new ATOM 0 HB2 LEU A 12 8.136 -15.985 -0.852 1.00 24.11 H new ATOM 0 HB3 LEU A 12 8.493 -15.399 -2.464 1.00 24.11 H new ATOM 0 HG LEU A 12 10.002 -13.674 -1.493 1.00 4.21 H new ATOM 0 HD11 LEU A 12 10.679 -13.850 0.872 1.00 44.30 H new ATOM 0 HD12 LEU A 12 8.958 -13.432 0.704 1.00 44.30 H new ATOM 0 HD13 LEU A 12 9.432 -15.093 1.131 1.00 44.30 H new ATOM 0 HD21 LEU A 12 11.810 -15.228 -0.844 1.00 31.33 H new ATOM 0 HD22 LEU A 12 10.615 -16.536 -0.669 1.00 31.33 H new ATOM 0 HD23 LEU A 12 10.915 -15.811 -2.267 1.00 31.33 H new ATOM 201 N GLU A 13 7.552 -12.955 -3.466 1.00 34.10 N ATOM 202 CA GLU A 13 7.828 -11.813 -4.351 1.00 60.14 C ATOM 203 C GLU A 13 6.829 -10.665 -4.130 1.00 30.41 C ATOM 204 O GLU A 13 7.172 -9.490 -4.288 1.00 20.20 O ATOM 205 CB GLU A 13 7.799 -12.250 -5.825 1.00 3.23 C ATOM 206 CG GLU A 13 8.174 -11.137 -6.802 1.00 23.42 C ATOM 207 CD GLU A 13 8.056 -11.558 -8.258 1.00 41.23 C ATOM 208 OE1 GLU A 13 9.044 -12.079 -8.814 1.00 65.21 O ATOM 209 OE2 GLU A 13 6.979 -11.363 -8.854 1.00 23.43 O ATOM 0 H GLU A 13 7.374 -13.832 -3.955 1.00 34.10 H new ATOM 0 HA GLU A 13 8.824 -11.447 -4.103 1.00 60.14 H new ATOM 0 HB2 GLU A 13 8.484 -13.087 -5.960 1.00 3.23 H new ATOM 0 HB3 GLU A 13 6.800 -12.613 -6.068 1.00 3.23 H new ATOM 0 HG2 GLU A 13 7.531 -10.275 -6.626 1.00 23.42 H new ATOM 0 HG3 GLU A 13 9.197 -10.817 -6.604 1.00 23.42 H new ATOM 216 N ALA A 14 5.596 -11.012 -3.753 1.00 23.14 N ATOM 217 CA ALA A 14 4.545 -10.016 -3.504 1.00 73.44 C ATOM 218 C ALA A 14 4.989 -8.968 -2.473 1.00 10.20 C ATOM 219 O ALA A 14 4.710 -7.779 -2.628 1.00 33.53 O ATOM 220 CB ALA A 14 3.262 -10.702 -3.046 1.00 13.12 C ATOM 0 H ALA A 14 5.298 -11.977 -3.613 1.00 23.14 H new ATOM 0 HA ALA A 14 4.354 -9.495 -4.442 1.00 73.44 H new ATOM 0 HB1 ALA A 14 2.493 -9.951 -2.865 1.00 13.12 H new ATOM 0 HB2 ALA A 14 2.922 -11.391 -3.819 1.00 13.12 H new ATOM 0 HB3 ALA A 14 3.453 -11.254 -2.126 1.00 13.12 H new ATOM 226 N PHE A 15 5.687 -9.414 -1.429 1.00 54.15 N ATOM 227 CA PHE A 15 6.228 -8.507 -0.409 1.00 23.42 C ATOM 228 C PHE A 15 7.141 -7.439 -1.037 1.00 23.11 C ATOM 229 O PHE A 15 6.935 -6.237 -0.846 1.00 60.21 O ATOM 230 CB PHE A 15 7.006 -9.307 0.651 1.00 23.21 C ATOM 231 CG PHE A 15 7.820 -8.450 1.594 1.00 64.44 C ATOM 232 CD1 PHE A 15 7.200 -7.665 2.555 1.00 4.41 C ATOM 233 CD2 PHE A 15 9.209 -8.422 1.510 1.00 5.32 C ATOM 234 CE1 PHE A 15 7.943 -6.877 3.413 1.00 63.22 C ATOM 235 CE2 PHE A 15 9.954 -7.636 2.366 1.00 61.25 C ATOM 236 CZ PHE A 15 9.322 -6.863 3.318 1.00 21.41 C ATOM 0 H PHE A 15 5.893 -10.399 -1.264 1.00 54.15 H new ATOM 0 HA PHE A 15 5.390 -7.998 0.066 1.00 23.42 H new ATOM 0 HB2 PHE A 15 6.301 -9.901 1.233 1.00 23.21 H new ATOM 0 HB3 PHE A 15 7.672 -10.007 0.146 1.00 23.21 H new ATOM 0 HD1 PHE A 15 6.123 -7.670 2.634 1.00 4.41 H new ATOM 0 HD2 PHE A 15 9.710 -9.023 0.766 1.00 5.32 H new ATOM 0 HE1 PHE A 15 7.447 -6.272 4.158 1.00 63.22 H new ATOM 0 HE2 PHE A 15 11.031 -7.626 2.290 1.00 61.25 H new ATOM 0 HZ PHE A 15 9.904 -6.248 3.988 1.00 21.41 H new ATOM 246 N GLU A 16 8.141 -7.887 -1.794 1.00 63.45 N ATOM 247 CA GLU A 16 9.110 -6.984 -2.421 1.00 42.13 C ATOM 248 C GLU A 16 8.443 -6.059 -3.452 1.00 4.41 C ATOM 249 O GLU A 16 8.630 -4.844 -3.417 1.00 11.12 O ATOM 250 CB GLU A 16 10.237 -7.791 -3.082 1.00 44.51 C ATOM 251 CG GLU A 16 11.084 -8.581 -2.089 1.00 54.11 C ATOM 252 CD GLU A 16 12.215 -9.346 -2.757 1.00 71.44 C ATOM 253 OE1 GLU A 16 13.141 -8.698 -3.291 1.00 24.41 O ATOM 254 OE2 GLU A 16 12.178 -10.596 -2.763 1.00 44.33 O ATOM 0 H GLU A 16 8.303 -8.875 -1.990 1.00 63.45 H new ATOM 0 HA GLU A 16 9.531 -6.355 -1.637 1.00 42.13 H new ATOM 0 HB2 GLU A 16 9.803 -8.480 -3.806 1.00 44.51 H new ATOM 0 HB3 GLU A 16 10.883 -7.111 -3.637 1.00 44.51 H new ATOM 0 HG2 GLU A 16 11.501 -7.897 -1.350 1.00 54.11 H new ATOM 0 HG3 GLU A 16 10.446 -9.282 -1.551 1.00 54.11 H new ATOM 261 N LYS A 17 7.658 -6.638 -4.359 1.00 75.53 N ATOM 262 CA LYS A 17 6.990 -5.858 -5.412 1.00 64.12 C ATOM 263 C LYS A 17 6.010 -4.820 -4.838 1.00 72.12 C ATOM 264 O LYS A 17 6.120 -3.630 -5.130 1.00 44.22 O ATOM 265 CB LYS A 17 6.259 -6.789 -6.392 1.00 12.22 C ATOM 266 CG LYS A 17 7.188 -7.548 -7.338 1.00 61.12 C ATOM 267 CD LYS A 17 8.017 -6.593 -8.195 1.00 33.00 C ATOM 268 CE LYS A 17 8.787 -7.319 -9.290 1.00 44.45 C ATOM 269 NZ LYS A 17 9.621 -6.381 -10.093 1.00 13.14 N ATOM 0 H LYS A 17 7.466 -7.639 -4.390 1.00 75.53 H new ATOM 0 HA LYS A 17 7.768 -5.312 -5.945 1.00 64.12 H new ATOM 0 HB2 LYS A 17 5.670 -7.508 -5.823 1.00 12.22 H new ATOM 0 HB3 LYS A 17 5.558 -6.199 -6.983 1.00 12.22 H new ATOM 0 HG2 LYS A 17 7.853 -8.190 -6.760 1.00 61.12 H new ATOM 0 HG3 LYS A 17 6.599 -8.199 -7.983 1.00 61.12 H new ATOM 0 HD2 LYS A 17 7.359 -5.851 -8.647 1.00 33.00 H new ATOM 0 HD3 LYS A 17 8.718 -6.052 -7.559 1.00 33.00 H new ATOM 0 HE2 LYS A 17 9.425 -8.081 -8.842 1.00 44.45 H new ATOM 0 HE3 LYS A 17 8.086 -7.836 -9.946 1.00 44.45 H new ATOM 0 HZ1 LYS A 17 10.130 -6.912 -10.828 1.00 13.14 H new ATOM 0 HZ2 LYS A 17 9.009 -5.669 -10.541 1.00 13.14 H new ATOM 0 HZ3 LYS A 17 10.306 -5.907 -9.471 1.00 13.14 H new ATOM 283 N ALA A 18 5.070 -5.267 -4.007 1.00 64.51 N ATOM 284 CA ALA A 18 4.051 -4.370 -3.445 1.00 3.44 C ATOM 285 C ALA A 18 4.680 -3.206 -2.667 1.00 12.51 C ATOM 286 O ALA A 18 4.323 -2.044 -2.871 1.00 63.22 O ATOM 287 CB ALA A 18 3.087 -5.148 -2.558 1.00 22.41 C ATOM 0 H ALA A 18 4.989 -6.238 -3.707 1.00 64.51 H new ATOM 0 HA ALA A 18 3.495 -3.942 -4.279 1.00 3.44 H new ATOM 0 HB1 ALA A 18 2.339 -4.468 -2.150 1.00 22.41 H new ATOM 0 HB2 ALA A 18 2.593 -5.920 -3.148 1.00 22.41 H new ATOM 0 HB3 ALA A 18 3.639 -5.613 -1.741 1.00 22.41 H new ATOM 293 N LEU A 19 5.625 -3.520 -1.782 1.00 64.12 N ATOM 294 CA LEU A 19 6.314 -2.494 -0.995 1.00 42.14 C ATOM 295 C LEU A 19 7.128 -1.546 -1.899 1.00 0.30 C ATOM 296 O LEU A 19 7.081 -0.324 -1.739 1.00 61.52 O ATOM 297 CB LEU A 19 7.236 -3.153 0.042 1.00 24.24 C ATOM 298 CG LEU A 19 7.969 -2.188 0.990 1.00 54.00 C ATOM 299 CD1 LEU A 19 6.973 -1.380 1.823 1.00 40.12 C ATOM 300 CD2 LEU A 19 8.938 -2.952 1.891 1.00 1.12 C ATOM 0 H LEU A 19 5.932 -4.474 -1.591 1.00 64.12 H new ATOM 0 HA LEU A 19 5.558 -1.902 -0.480 1.00 42.14 H new ATOM 0 HB2 LEU A 19 6.643 -3.843 0.642 1.00 24.24 H new ATOM 0 HB3 LEU A 19 7.980 -3.749 -0.487 1.00 24.24 H new ATOM 0 HG LEU A 19 8.545 -1.488 0.385 1.00 54.00 H new ATOM 0 HD11 LEU A 19 7.516 -0.705 2.485 1.00 40.12 H new ATOM 0 HD12 LEU A 19 6.331 -0.800 1.160 1.00 40.12 H new ATOM 0 HD13 LEU A 19 6.362 -2.058 2.418 1.00 40.12 H new ATOM 0 HD21 LEU A 19 9.447 -2.252 2.554 1.00 1.12 H new ATOM 0 HD22 LEU A 19 8.385 -3.679 2.486 1.00 1.12 H new ATOM 0 HD23 LEU A 19 9.674 -3.470 1.277 1.00 1.12 H new ATOM 312 N LYS A 20 7.856 -2.119 -2.859 1.00 20.14 N ATOM 313 CA LYS A 20 8.724 -1.339 -3.752 1.00 42.51 C ATOM 314 C LYS A 20 7.923 -0.340 -4.605 1.00 21.34 C ATOM 315 O LYS A 20 8.303 0.826 -4.729 1.00 51.24 O ATOM 316 CB LYS A 20 9.528 -2.283 -4.660 1.00 71.03 C ATOM 317 CG LYS A 20 10.650 -1.601 -5.440 1.00 34.12 C ATOM 318 CD LYS A 20 11.723 -1.029 -4.514 1.00 71.12 C ATOM 319 CE LYS A 20 12.874 -0.398 -5.294 1.00 3.00 C ATOM 320 NZ LYS A 20 13.585 -1.389 -6.150 1.00 34.14 N ATOM 0 H LYS A 20 7.864 -3.123 -3.041 1.00 20.14 H new ATOM 0 HA LYS A 20 9.407 -0.763 -3.128 1.00 42.51 H new ATOM 0 HB2 LYS A 20 9.957 -3.077 -4.049 1.00 71.03 H new ATOM 0 HB3 LYS A 20 8.846 -2.757 -5.366 1.00 71.03 H new ATOM 0 HG2 LYS A 20 11.105 -2.318 -6.123 1.00 34.12 H new ATOM 0 HG3 LYS A 20 10.233 -0.800 -6.050 1.00 34.12 H new ATOM 0 HD2 LYS A 20 11.276 -0.281 -3.859 1.00 71.12 H new ATOM 0 HD3 LYS A 20 12.110 -1.822 -3.874 1.00 71.12 H new ATOM 0 HE2 LYS A 20 12.489 0.408 -5.918 1.00 3.00 H new ATOM 0 HE3 LYS A 20 13.581 0.050 -4.596 1.00 3.00 H new ATOM 0 HZ1 LYS A 20 14.463 -0.967 -6.513 1.00 34.14 H new ATOM 0 HZ2 LYS A 20 13.813 -2.233 -5.587 1.00 34.14 H new ATOM 0 HZ3 LYS A 20 12.975 -1.659 -6.948 1.00 34.14 H new ATOM 334 N GLU A 21 6.817 -0.798 -5.192 1.00 14.14 N ATOM 335 CA GLU A 21 5.972 0.065 -6.029 1.00 74.11 C ATOM 336 C GLU A 21 5.332 1.199 -5.207 1.00 70.41 C ATOM 337 O GLU A 21 5.336 2.360 -5.627 1.00 75.14 O ATOM 338 CB GLU A 21 4.885 -0.763 -6.730 1.00 11.05 C ATOM 339 CG GLU A 21 5.429 -1.876 -7.626 1.00 62.04 C ATOM 340 CD GLU A 21 6.406 -1.375 -8.681 1.00 1.43 C ATOM 341 OE1 GLU A 21 5.955 -0.812 -9.702 1.00 54.43 O ATOM 342 OE2 GLU A 21 7.631 -1.539 -8.499 1.00 41.04 O ATOM 0 H GLU A 21 6.483 -1.758 -5.106 1.00 14.14 H new ATOM 0 HA GLU A 21 6.612 0.520 -6.784 1.00 74.11 H new ATOM 0 HB2 GLU A 21 4.236 -1.205 -5.974 1.00 11.05 H new ATOM 0 HB3 GLU A 21 4.267 -0.096 -7.331 1.00 11.05 H new ATOM 0 HG2 GLU A 21 5.926 -2.622 -7.006 1.00 62.04 H new ATOM 0 HG3 GLU A 21 4.596 -2.375 -8.120 1.00 62.04 H new ATOM 349 N MET A 22 4.790 0.860 -4.033 1.00 54.50 N ATOM 350 CA MET A 22 4.213 1.865 -3.125 1.00 11.21 C ATOM 351 C MET A 22 5.243 2.957 -2.784 1.00 72.53 C ATOM 352 O MET A 22 4.971 4.154 -2.915 1.00 13.42 O ATOM 353 CB MET A 22 3.713 1.196 -1.830 1.00 41.22 C ATOM 354 CG MET A 22 2.503 0.272 -2.007 1.00 43.45 C ATOM 355 SD MET A 22 0.914 1.111 -1.793 1.00 35.32 S ATOM 356 CE MET A 22 0.856 2.191 -3.221 1.00 2.23 C ATOM 0 H MET A 22 4.737 -0.098 -3.687 1.00 54.50 H new ATOM 0 HA MET A 22 3.370 2.331 -3.635 1.00 11.21 H new ATOM 0 HB2 MET A 22 4.531 0.621 -1.396 1.00 41.22 H new ATOM 0 HB3 MET A 22 3.455 1.975 -1.112 1.00 41.22 H new ATOM 0 HG2 MET A 22 2.538 -0.173 -3.001 1.00 43.45 H new ATOM 0 HG3 MET A 22 2.572 -0.545 -1.289 1.00 43.45 H new ATOM 0 HE1 MET A 22 -0.175 2.488 -3.411 1.00 2.23 H new ATOM 0 HE2 MET A 22 1.460 3.078 -3.031 1.00 2.23 H new ATOM 0 HE3 MET A 22 1.248 1.665 -4.091 1.00 2.23 H new ATOM 366 N ILE A 23 6.435 2.533 -2.362 1.00 51.30 N ATOM 367 CA ILE A 23 7.523 3.464 -2.053 1.00 1.53 C ATOM 368 C ILE A 23 7.946 4.267 -3.296 1.00 32.25 C ATOM 369 O ILE A 23 8.154 5.479 -3.218 1.00 32.24 O ATOM 370 CB ILE A 23 8.752 2.716 -1.466 1.00 73.45 C ATOM 371 CG1 ILE A 23 8.374 2.027 -0.142 1.00 0.12 C ATOM 372 CG2 ILE A 23 9.927 3.672 -1.258 1.00 51.42 C ATOM 373 CD1 ILE A 23 9.517 1.271 0.508 1.00 24.25 C ATOM 0 H ILE A 23 6.672 1.550 -2.226 1.00 51.30 H new ATOM 0 HA ILE A 23 7.145 4.160 -1.304 1.00 1.53 H new ATOM 0 HB ILE A 23 9.062 1.954 -2.181 1.00 73.45 H new ATOM 0 HG12 ILE A 23 8.007 2.780 0.555 1.00 0.12 H new ATOM 0 HG13 ILE A 23 7.552 1.335 -0.326 1.00 0.12 H new ATOM 0 HG21 ILE A 23 10.774 3.123 -0.846 1.00 51.42 H new ATOM 0 HG22 ILE A 23 10.210 4.114 -2.213 1.00 51.42 H new ATOM 0 HG23 ILE A 23 9.635 4.462 -0.566 1.00 51.42 H new ATOM 0 HD11 ILE A 23 9.171 0.814 1.435 1.00 24.25 H new ATOM 0 HD12 ILE A 23 9.871 0.494 -0.169 1.00 24.25 H new ATOM 0 HD13 ILE A 23 10.332 1.961 0.726 1.00 24.25 H new ATOM 385 N ARG A 24 8.044 3.592 -4.446 1.00 35.24 N ATOM 386 CA ARG A 24 8.467 4.239 -5.702 1.00 34.44 C ATOM 387 C ARG A 24 7.683 5.534 -5.959 1.00 43.34 C ATOM 388 O ARG A 24 8.260 6.575 -6.275 1.00 52.22 O ATOM 389 CB ARG A 24 8.272 3.295 -6.901 1.00 62.11 C ATOM 390 CG ARG A 24 8.875 3.838 -8.201 1.00 43.32 C ATOM 391 CD ARG A 24 8.143 3.346 -9.450 1.00 41.40 C ATOM 392 NE ARG A 24 8.127 1.890 -9.574 1.00 3.03 N ATOM 393 CZ ARG A 24 8.867 1.214 -10.411 1.00 32.34 C ATOM 394 NH1 ARG A 24 9.794 1.800 -11.099 1.00 54.43 N ATOM 395 NH2 ARG A 24 8.691 -0.060 -10.542 1.00 23.15 N ATOM 0 H ARG A 24 7.837 2.597 -4.538 1.00 35.24 H new ATOM 0 HA ARG A 24 9.525 4.478 -5.593 1.00 34.44 H new ATOM 0 HB2 ARG A 24 8.725 2.330 -6.673 1.00 62.11 H new ATOM 0 HB3 ARG A 24 7.206 3.120 -7.048 1.00 62.11 H new ATOM 0 HG2 ARG A 24 8.852 4.928 -8.179 1.00 43.32 H new ATOM 0 HG3 ARG A 24 9.923 3.543 -8.260 1.00 43.32 H new ATOM 0 HD2 ARG A 24 7.117 3.713 -9.430 1.00 41.40 H new ATOM 0 HD3 ARG A 24 8.618 3.774 -10.333 1.00 41.40 H new ATOM 0 HE ARG A 24 7.496 1.367 -8.967 1.00 3.03 H new ATOM 0 HH11 ARG A 24 9.953 2.802 -10.991 1.00 54.43 H new ATOM 0 HH12 ARG A 24 10.365 1.260 -11.749 1.00 54.43 H new ATOM 0 HH21 ARG A 24 7.975 -0.535 -9.992 1.00 23.15 H new ATOM 0 HH22 ARG A 24 9.268 -0.590 -11.195 1.00 23.15 H new ATOM 409 N GLN A 25 6.361 5.451 -5.824 1.00 60.25 N ATOM 410 CA GLN A 25 5.482 6.603 -6.047 1.00 73.14 C ATOM 411 C GLN A 25 5.667 7.682 -4.965 1.00 31.31 C ATOM 412 O GLN A 25 5.792 8.869 -5.270 1.00 64.03 O ATOM 413 CB GLN A 25 4.013 6.143 -6.084 1.00 32.34 C ATOM 414 CG GLN A 25 3.721 5.082 -7.143 1.00 24.52 C ATOM 415 CD GLN A 25 4.008 5.555 -8.559 1.00 75.42 C ATOM 416 OE1 GLN A 25 3.893 6.738 -8.873 1.00 35.41 O ATOM 417 NE2 GLN A 25 4.377 4.637 -9.427 1.00 70.24 N ATOM 0 H GLN A 25 5.871 4.596 -5.560 1.00 60.25 H new ATOM 0 HA GLN A 25 5.752 7.045 -7.006 1.00 73.14 H new ATOM 0 HB2 GLN A 25 3.742 5.749 -5.105 1.00 32.34 H new ATOM 0 HB3 GLN A 25 3.376 7.009 -6.266 1.00 32.34 H new ATOM 0 HG2 GLN A 25 4.320 4.195 -6.935 1.00 24.52 H new ATOM 0 HG3 GLN A 25 2.675 4.784 -7.071 1.00 24.52 H new ATOM 0 HE21 GLN A 25 4.463 3.664 -9.134 1.00 70.24 H new ATOM 0 HE22 GLN A 25 4.577 4.899 -10.392 1.00 70.24 H new ATOM 426 N ALA A 26 5.703 7.259 -3.702 1.00 2.53 N ATOM 427 CA ALA A 26 5.779 8.190 -2.568 1.00 1.33 C ATOM 428 C ALA A 26 7.135 8.917 -2.468 1.00 31.51 C ATOM 429 O ALA A 26 7.223 9.991 -1.872 1.00 2.44 O ATOM 430 CB ALA A 26 5.480 7.450 -1.272 1.00 52.32 C ATOM 0 H ALA A 26 5.681 6.275 -3.434 1.00 2.53 H new ATOM 0 HA ALA A 26 5.028 8.961 -2.740 1.00 1.33 H new ATOM 0 HB1 ALA A 26 5.538 8.145 -0.434 1.00 52.32 H new ATOM 0 HB2 ALA A 26 4.479 7.022 -1.320 1.00 52.32 H new ATOM 0 HB3 ALA A 26 6.209 6.652 -1.132 1.00 52.32 H new ATOM 436 N ARG A 27 8.183 8.337 -3.058 1.00 22.30 N ATOM 437 CA ARG A 27 9.535 8.925 -3.016 1.00 52.11 C ATOM 438 C ARG A 27 9.579 10.359 -3.575 1.00 2.53 C ATOM 439 O ARG A 27 10.425 11.159 -3.177 1.00 30.01 O ATOM 440 CB ARG A 27 10.529 8.028 -3.776 1.00 30.32 C ATOM 441 CG ARG A 27 10.866 6.738 -3.032 1.00 23.23 C ATOM 442 CD ARG A 27 11.690 5.770 -3.879 1.00 51.40 C ATOM 443 NE ARG A 27 12.994 6.317 -4.252 1.00 65.15 N ATOM 444 CZ ARG A 27 14.139 5.801 -3.893 1.00 14.24 C ATOM 445 NH1 ARG A 27 14.186 4.792 -3.081 1.00 11.33 N ATOM 446 NH2 ARG A 27 15.239 6.316 -4.332 1.00 44.04 N ATOM 0 H ARG A 27 8.126 7.458 -3.573 1.00 22.30 H new ATOM 0 HA ARG A 27 9.823 8.984 -1.966 1.00 52.11 H new ATOM 0 HB2 ARG A 27 10.111 7.779 -4.751 1.00 30.32 H new ATOM 0 HB3 ARG A 27 11.448 8.586 -3.956 1.00 30.32 H new ATOM 0 HG2 ARG A 27 11.418 6.980 -2.124 1.00 23.23 H new ATOM 0 HG3 ARG A 27 9.942 6.249 -2.723 1.00 23.23 H new ATOM 0 HD2 ARG A 27 11.834 4.842 -3.326 1.00 51.40 H new ATOM 0 HD3 ARG A 27 11.134 5.520 -4.782 1.00 51.40 H new ATOM 0 HE ARG A 27 13.010 7.157 -4.831 1.00 65.15 H new ATOM 0 HH11 ARG A 27 13.322 4.392 -2.715 1.00 11.33 H new ATOM 0 HH12 ARG A 27 15.087 4.398 -2.808 1.00 11.33 H new ATOM 0 HH21 ARG A 27 15.211 7.122 -4.956 1.00 44.04 H new ATOM 0 HH22 ARG A 27 16.136 5.917 -4.054 1.00 44.04 H new ATOM 460 N LYS A 28 8.682 10.676 -4.504 1.00 61.10 N ATOM 461 CA LYS A 28 8.625 12.023 -5.093 1.00 45.44 C ATOM 462 C LYS A 28 8.010 13.050 -4.124 1.00 45.11 C ATOM 463 O LYS A 28 8.230 14.254 -4.264 1.00 54.11 O ATOM 464 CB LYS A 28 7.821 12.023 -6.408 1.00 44.31 C ATOM 465 CG LYS A 28 8.480 11.265 -7.561 1.00 60.15 C ATOM 466 CD LYS A 28 8.427 9.751 -7.369 1.00 41.21 C ATOM 467 CE LYS A 28 9.079 9.016 -8.531 1.00 63.24 C ATOM 468 NZ LYS A 28 8.442 9.356 -9.831 1.00 43.10 N ATOM 0 H LYS A 28 7.985 10.027 -4.868 1.00 61.10 H new ATOM 0 HA LYS A 28 9.655 12.313 -5.299 1.00 45.44 H new ATOM 0 HB2 LYS A 28 6.840 11.587 -6.218 1.00 44.31 H new ATOM 0 HB3 LYS A 28 7.656 13.055 -6.717 1.00 44.31 H new ATOM 0 HG2 LYS A 28 7.984 11.527 -8.495 1.00 60.15 H new ATOM 0 HG3 LYS A 28 9.519 11.581 -7.653 1.00 60.15 H new ATOM 0 HD2 LYS A 28 8.931 9.484 -6.440 1.00 41.21 H new ATOM 0 HD3 LYS A 28 7.389 9.432 -7.272 1.00 41.21 H new ATOM 0 HE2 LYS A 28 10.139 9.267 -8.570 1.00 63.24 H new ATOM 0 HE3 LYS A 28 9.012 7.941 -8.364 1.00 63.24 H new ATOM 0 HZ1 LYS A 28 8.318 8.490 -10.394 1.00 43.10 H new ATOM 0 HZ2 LYS A 28 7.514 9.793 -9.659 1.00 43.10 H new ATOM 0 HZ3 LYS A 28 9.048 10.023 -10.351 1.00 43.10 H new ATOM 482 N PHE A 29 7.253 12.569 -3.143 1.00 13.54 N ATOM 483 CA PHE A 29 6.500 13.449 -2.235 1.00 44.50 C ATOM 484 C PHE A 29 7.128 13.510 -0.832 1.00 14.42 C ATOM 485 O PHE A 29 8.123 12.841 -0.544 1.00 20.22 O ATOM 486 CB PHE A 29 5.047 12.959 -2.127 1.00 31.13 C ATOM 487 CG PHE A 29 4.327 12.899 -3.451 1.00 21.30 C ATOM 488 CD1 PHE A 29 3.683 14.019 -3.961 1.00 5.12 C ATOM 489 CD2 PHE A 29 4.296 11.722 -4.187 1.00 14.31 C ATOM 490 CE1 PHE A 29 3.024 13.964 -5.175 1.00 25.32 C ATOM 491 CE2 PHE A 29 3.638 11.662 -5.401 1.00 15.33 C ATOM 492 CZ PHE A 29 3.002 12.783 -5.896 1.00 62.13 C ATOM 0 H PHE A 29 7.140 11.574 -2.950 1.00 13.54 H new ATOM 0 HA PHE A 29 6.529 14.455 -2.654 1.00 44.50 H new ATOM 0 HB2 PHE A 29 5.040 11.967 -1.675 1.00 31.13 H new ATOM 0 HB3 PHE A 29 4.499 13.620 -1.455 1.00 31.13 H new ATOM 0 HD1 PHE A 29 3.697 14.943 -3.403 1.00 5.12 H new ATOM 0 HD2 PHE A 29 4.793 10.842 -3.806 1.00 14.31 H new ATOM 0 HE1 PHE A 29 2.527 14.842 -5.560 1.00 25.32 H new ATOM 0 HE2 PHE A 29 3.621 10.739 -5.962 1.00 15.33 H new ATOM 0 HZ PHE A 29 2.488 12.738 -6.845 1.00 62.13 H new ATOM 502 N ALA A 30 6.529 14.319 0.040 1.00 14.41 N ATOM 503 CA ALA A 30 6.964 14.436 1.439 1.00 24.13 C ATOM 504 C ALA A 30 6.235 13.421 2.337 1.00 10.40 C ATOM 505 O ALA A 30 6.053 13.645 3.540 1.00 10.20 O ATOM 506 CB ALA A 30 6.726 15.860 1.937 1.00 2.53 C ATOM 0 H ALA A 30 5.733 14.911 -0.197 1.00 14.41 H new ATOM 0 HA ALA A 30 8.030 14.213 1.488 1.00 24.13 H new ATOM 0 HB1 ALA A 30 7.050 15.942 2.975 1.00 2.53 H new ATOM 0 HB2 ALA A 30 7.294 16.560 1.323 1.00 2.53 H new ATOM 0 HB3 ALA A 30 5.664 16.097 1.869 1.00 2.53 H new ATOM 512 N GLY A 31 5.835 12.297 1.745 1.00 74.30 N ATOM 513 CA GLY A 31 5.113 11.263 2.477 1.00 23.30 C ATOM 514 C GLY A 31 6.028 10.183 3.052 1.00 4.20 C ATOM 515 O GLY A 31 6.857 9.615 2.338 1.00 11.15 O ATOM 0 H GLY A 31 5.999 12.081 0.762 1.00 74.30 H new ATOM 0 HA2 GLY A 31 4.553 11.726 3.289 1.00 23.30 H new ATOM 0 HA3 GLY A 31 4.385 10.798 1.813 1.00 23.30 H new ATOM 519 N THR A 32 5.881 9.901 4.346 1.00 24.03 N ATOM 520 CA THR A 32 6.672 8.858 5.007 1.00 51.24 C ATOM 521 C THR A 32 5.984 7.495 4.898 1.00 71.33 C ATOM 522 O THR A 32 4.879 7.302 5.407 1.00 22.42 O ATOM 523 CB THR A 32 6.913 9.184 6.503 1.00 32.01 C ATOM 524 OG1 THR A 32 7.631 10.423 6.628 1.00 73.43 O ATOM 525 CG2 THR A 32 7.700 8.072 7.194 1.00 54.43 C ATOM 0 H THR A 32 5.222 10.379 4.960 1.00 24.03 H new ATOM 0 HA THR A 32 7.634 8.822 4.495 1.00 51.24 H new ATOM 0 HB THR A 32 5.939 9.271 6.986 1.00 32.01 H new ATOM 0 HG1 THR A 32 7.777 10.622 7.576 1.00 73.43 H new ATOM 0 HG21 THR A 32 7.852 8.331 8.242 1.00 54.43 H new ATOM 0 HG22 THR A 32 7.143 7.137 7.129 1.00 54.43 H new ATOM 0 HG23 THR A 32 8.667 7.953 6.705 1.00 54.43 H new ATOM 533 N VAL A 33 6.644 6.554 4.228 1.00 72.42 N ATOM 534 CA VAL A 33 6.108 5.202 4.050 1.00 42.52 C ATOM 535 C VAL A 33 6.798 4.203 4.988 1.00 65.45 C ATOM 536 O VAL A 33 7.977 3.878 4.815 1.00 60.42 O ATOM 537 CB VAL A 33 6.272 4.719 2.587 1.00 44.11 C ATOM 538 CG1 VAL A 33 5.729 3.300 2.409 1.00 70.13 C ATOM 539 CG2 VAL A 33 5.583 5.686 1.629 1.00 12.24 C ATOM 0 H VAL A 33 7.556 6.702 3.796 1.00 72.42 H new ATOM 0 HA VAL A 33 5.047 5.248 4.294 1.00 42.52 H new ATOM 0 HB VAL A 33 7.337 4.698 2.354 1.00 44.11 H new ATOM 0 HG11 VAL A 33 5.858 2.988 1.372 1.00 70.13 H new ATOM 0 HG12 VAL A 33 6.272 2.618 3.063 1.00 70.13 H new ATOM 0 HG13 VAL A 33 4.670 3.281 2.664 1.00 70.13 H new ATOM 0 HG21 VAL A 33 5.707 5.334 0.605 1.00 12.24 H new ATOM 0 HG22 VAL A 33 4.521 5.740 1.868 1.00 12.24 H new ATOM 0 HG23 VAL A 33 6.028 6.676 1.728 1.00 12.24 H new ATOM 549 N THR A 34 6.062 3.725 5.985 1.00 71.32 N ATOM 550 CA THR A 34 6.572 2.702 6.908 1.00 12.20 C ATOM 551 C THR A 34 5.851 1.368 6.697 1.00 54.22 C ATOM 552 O THR A 34 4.731 1.333 6.186 1.00 61.10 O ATOM 553 CB THR A 34 6.419 3.132 8.386 1.00 55.43 C ATOM 554 OG1 THR A 34 6.903 2.092 9.254 1.00 23.13 O ATOM 555 CG2 THR A 34 4.967 3.453 8.727 1.00 60.23 C ATOM 0 H THR A 34 5.107 4.027 6.180 1.00 71.32 H new ATOM 0 HA THR A 34 7.633 2.583 6.689 1.00 12.20 H new ATOM 0 HB THR A 34 7.010 4.036 8.533 1.00 55.43 H new ATOM 0 HG1 THR A 34 6.804 2.373 10.188 1.00 23.13 H new ATOM 0 HG21 THR A 34 4.896 3.751 9.773 1.00 60.23 H new ATOM 0 HG22 THR A 34 4.616 4.267 8.093 1.00 60.23 H new ATOM 0 HG23 THR A 34 4.350 2.570 8.559 1.00 60.23 H new ATOM 563 N TYR A 35 6.488 0.271 7.094 1.00 75.12 N ATOM 564 CA TYR A 35 5.926 -1.065 6.869 1.00 72.34 C ATOM 565 C TYR A 35 6.166 -2.001 8.062 1.00 4.12 C ATOM 566 O TYR A 35 7.269 -2.073 8.602 1.00 13.52 O ATOM 567 CB TYR A 35 6.513 -1.680 5.586 1.00 14.13 C ATOM 568 CG TYR A 35 8.029 -1.791 5.588 1.00 11.21 C ATOM 569 CD1 TYR A 35 8.828 -0.682 5.324 1.00 64.41 C ATOM 570 CD2 TYR A 35 8.665 -3.003 5.862 1.00 64.23 C ATOM 571 CE1 TYR A 35 10.204 -0.776 5.329 1.00 21.22 C ATOM 572 CE2 TYR A 35 10.044 -3.101 5.869 1.00 42.42 C ATOM 573 CZ TYR A 35 10.808 -1.984 5.604 1.00 2.33 C ATOM 574 OH TYR A 35 12.181 -2.073 5.614 1.00 62.13 O ATOM 0 H TYR A 35 7.389 0.276 7.571 1.00 75.12 H new ATOM 0 HA TYR A 35 4.848 -0.950 6.756 1.00 72.34 H new ATOM 0 HB2 TYR A 35 6.087 -2.673 5.444 1.00 14.13 H new ATOM 0 HB3 TYR A 35 6.205 -1.076 4.733 1.00 14.13 H new ATOM 0 HD1 TYR A 35 8.362 0.269 5.111 1.00 64.41 H new ATOM 0 HD2 TYR A 35 8.070 -3.879 6.072 1.00 64.23 H new ATOM 0 HE1 TYR A 35 10.807 0.095 5.118 1.00 21.22 H new ATOM 0 HE2 TYR A 35 10.520 -4.047 6.081 1.00 42.42 H new ATOM 0 HH TYR A 35 12.448 -2.992 5.826 1.00 62.13 H new ATOM 584 N THR A 36 5.119 -2.711 8.467 1.00 61.32 N ATOM 585 CA THR A 36 5.205 -3.710 9.541 1.00 54.32 C ATOM 586 C THR A 36 4.585 -5.040 9.090 1.00 10.13 C ATOM 587 O THR A 36 3.474 -5.073 8.561 1.00 72.42 O ATOM 588 CB THR A 36 4.496 -3.224 10.832 1.00 61.23 C ATOM 589 OG1 THR A 36 3.161 -2.786 10.530 1.00 23.40 O ATOM 590 CG2 THR A 36 5.267 -2.080 11.491 1.00 11.24 C ATOM 0 H THR A 36 4.186 -2.615 8.065 1.00 61.32 H new ATOM 0 HA THR A 36 6.262 -3.856 9.762 1.00 54.32 H new ATOM 0 HB THR A 36 4.459 -4.064 11.526 1.00 61.23 H new ATOM 0 HG1 THR A 36 2.517 -3.441 10.872 1.00 23.40 H new ATOM 0 HG21 THR A 36 4.745 -1.761 12.393 1.00 11.24 H new ATOM 0 HG22 THR A 36 6.269 -2.420 11.753 1.00 11.24 H new ATOM 0 HG23 THR A 36 5.338 -1.242 10.798 1.00 11.24 H new ATOM 598 N LEU A 37 5.313 -6.137 9.289 1.00 22.01 N ATOM 599 CA LEU A 37 4.859 -7.458 8.834 1.00 14.22 C ATOM 600 C LEU A 37 4.059 -8.193 9.916 1.00 52.54 C ATOM 601 O LEU A 37 4.567 -8.449 11.009 1.00 23.14 O ATOM 602 CB LEU A 37 6.057 -8.324 8.401 1.00 34.43 C ATOM 603 CG LEU A 37 6.654 -8.009 7.017 1.00 1.41 C ATOM 604 CD1 LEU A 37 5.624 -8.256 5.920 1.00 1.02 C ATOM 605 CD2 LEU A 37 7.185 -6.576 6.952 1.00 43.50 C ATOM 0 H LEU A 37 6.218 -6.142 9.760 1.00 22.01 H new ATOM 0 HA LEU A 37 4.202 -7.292 7.980 1.00 14.22 H new ATOM 0 HB2 LEU A 37 6.845 -8.218 9.147 1.00 34.43 H new ATOM 0 HB3 LEU A 37 5.747 -9.369 8.411 1.00 34.43 H new ATOM 0 HG LEU A 37 7.497 -8.681 6.856 1.00 1.41 H new ATOM 0 HD11 LEU A 37 6.064 -8.028 4.949 1.00 1.02 H new ATOM 0 HD12 LEU A 37 5.313 -9.301 5.941 1.00 1.02 H new ATOM 0 HD13 LEU A 37 4.757 -7.616 6.084 1.00 1.02 H new ATOM 0 HD21 LEU A 37 7.600 -6.386 5.962 1.00 43.50 H new ATOM 0 HD22 LEU A 37 6.371 -5.877 7.145 1.00 43.50 H new ATOM 0 HD23 LEU A 37 7.964 -6.442 7.703 1.00 43.50 H new ATOM 617 N ASP A 38 2.807 -8.525 9.609 1.00 31.32 N ATOM 618 CA ASP A 38 2.000 -9.385 10.472 1.00 40.53 C ATOM 619 C ASP A 38 1.717 -10.722 9.765 1.00 40.34 C ATOM 620 O ASP A 38 0.728 -10.860 9.043 1.00 70.21 O ATOM 621 CB ASP A 38 0.686 -8.692 10.859 1.00 12.42 C ATOM 622 CG ASP A 38 -0.126 -9.512 11.848 1.00 61.14 C ATOM 623 OD1 ASP A 38 0.158 -9.438 13.064 1.00 71.43 O ATOM 624 OD2 ASP A 38 -1.045 -10.244 11.421 1.00 54.54 O ATOM 0 H ASP A 38 2.328 -8.210 8.766 1.00 31.32 H new ATOM 0 HA ASP A 38 2.559 -9.581 11.387 1.00 40.53 H new ATOM 0 HB2 ASP A 38 0.906 -7.716 11.293 1.00 12.42 H new ATOM 0 HB3 ASP A 38 0.092 -8.516 9.962 1.00 12.42 H new ATOM 629 N GLY A 39 2.614 -11.689 9.948 1.00 2.45 N ATOM 630 CA GLY A 39 2.472 -12.985 9.292 1.00 35.40 C ATOM 631 C GLY A 39 2.448 -12.898 7.766 1.00 11.14 C ATOM 632 O GLY A 39 3.490 -12.751 7.127 1.00 70.32 O ATOM 0 H GLY A 39 3.440 -11.600 10.540 1.00 2.45 H new ATOM 0 HA2 GLY A 39 3.296 -13.630 9.598 1.00 35.40 H new ATOM 0 HA3 GLY A 39 1.552 -13.458 9.635 1.00 35.40 H new ATOM 636 N ASN A 40 1.254 -12.979 7.182 1.00 53.41 N ATOM 637 CA ASN A 40 1.092 -12.933 5.724 1.00 52.34 C ATOM 638 C ASN A 40 0.449 -11.612 5.265 1.00 5.42 C ATOM 639 O ASN A 40 0.018 -11.490 4.120 1.00 24.33 O ATOM 640 CB ASN A 40 0.243 -14.117 5.261 1.00 41.41 C ATOM 641 CG ASN A 40 0.884 -15.449 5.597 1.00 13.53 C ATOM 642 OD1 ASN A 40 1.692 -15.958 4.692 1.00 62.21 O flip ATOM 643 ND2 ASN A 40 0.662 -16.015 6.666 1.00 32.33 N flip ATOM 0 H ASN A 40 0.379 -13.077 7.696 1.00 53.41 H new ATOM 0 HA ASN A 40 2.083 -12.993 5.273 1.00 52.34 H new ATOM 0 HB2 ASN A 40 -0.740 -14.061 5.728 1.00 41.41 H new ATOM 0 HB3 ASN A 40 0.089 -14.052 4.184 1.00 41.41 H new ATOM 0 HD21 ASN A 40 0.030 -15.592 7.345 1.00 32.33 H new ATOM 0 HD22 ASN A 40 1.110 -16.908 6.873 1.00 32.33 H new ATOM 650 N ASP A 41 0.391 -10.632 6.162 1.00 53.54 N ATOM 651 CA ASP A 41 -0.164 -9.314 5.837 1.00 55.44 C ATOM 652 C ASP A 41 0.900 -8.215 6.024 1.00 54.31 C ATOM 653 O ASP A 41 1.468 -8.055 7.107 1.00 42.14 O ATOM 654 CB ASP A 41 -1.394 -9.043 6.718 1.00 32.05 C ATOM 655 CG ASP A 41 -2.145 -7.774 6.337 1.00 24.24 C ATOM 656 OD1 ASP A 41 -2.995 -7.828 5.419 1.00 42.41 O ATOM 657 OD2 ASP A 41 -1.924 -6.730 6.981 1.00 74.42 O ATOM 0 H ASP A 41 0.721 -10.722 7.123 1.00 53.54 H new ATOM 0 HA ASP A 41 -0.471 -9.303 4.791 1.00 55.44 H new ATOM 0 HB2 ASP A 41 -2.074 -9.892 6.651 1.00 32.05 H new ATOM 0 HB3 ASP A 41 -1.077 -8.970 7.758 1.00 32.05 H new ATOM 662 N LEU A 42 1.176 -7.477 4.953 1.00 33.13 N ATOM 663 CA LEU A 42 2.144 -6.377 4.981 1.00 1.41 C ATOM 664 C LEU A 42 1.442 -5.036 5.241 1.00 71.21 C ATOM 665 O LEU A 42 0.760 -4.498 4.363 1.00 54.23 O ATOM 666 CB LEU A 42 2.921 -6.330 3.654 1.00 32.31 C ATOM 667 CG LEU A 42 3.838 -5.110 3.451 1.00 31.15 C ATOM 668 CD1 LEU A 42 4.878 -5.009 4.563 1.00 30.30 C ATOM 669 CD2 LEU A 42 4.513 -5.170 2.081 1.00 73.21 C ATOM 0 H LEU A 42 0.739 -7.621 4.043 1.00 33.13 H new ATOM 0 HA LEU A 42 2.845 -6.552 5.797 1.00 1.41 H new ATOM 0 HB2 LEU A 42 3.528 -7.232 3.579 1.00 32.31 H new ATOM 0 HB3 LEU A 42 2.203 -6.360 2.834 1.00 32.31 H new ATOM 0 HG LEU A 42 3.220 -4.213 3.493 1.00 31.15 H new ATOM 0 HD11 LEU A 42 5.510 -4.138 4.392 1.00 30.30 H new ATOM 0 HD12 LEU A 42 4.374 -4.908 5.524 1.00 30.30 H new ATOM 0 HD13 LEU A 42 5.493 -5.909 4.568 1.00 30.30 H new ATOM 0 HD21 LEU A 42 5.157 -4.300 1.954 1.00 73.21 H new ATOM 0 HD22 LEU A 42 5.111 -6.078 2.010 1.00 73.21 H new ATOM 0 HD23 LEU A 42 3.752 -5.175 1.300 1.00 73.21 H new ATOM 681 N GLU A 43 1.611 -4.504 6.450 1.00 34.42 N ATOM 682 CA GLU A 43 0.971 -3.244 6.836 1.00 63.22 C ATOM 683 C GLU A 43 1.815 -2.036 6.392 1.00 54.12 C ATOM 684 O GLU A 43 2.837 -1.719 7.001 1.00 31.44 O ATOM 685 CB GLU A 43 0.753 -3.217 8.359 1.00 24.21 C ATOM 686 CG GLU A 43 0.090 -4.483 8.903 1.00 40.33 C ATOM 687 CD GLU A 43 -0.161 -4.433 10.404 1.00 42.34 C ATOM 688 OE1 GLU A 43 0.809 -4.260 11.172 1.00 4.51 O ATOM 689 OE2 GLU A 43 -1.329 -4.594 10.825 1.00 70.30 O ATOM 0 H GLU A 43 2.185 -4.924 7.181 1.00 34.42 H new ATOM 0 HA GLU A 43 0.005 -3.178 6.335 1.00 63.22 H new ATOM 0 HB2 GLU A 43 1.715 -3.079 8.853 1.00 24.21 H new ATOM 0 HB3 GLU A 43 0.137 -2.355 8.615 1.00 24.21 H new ATOM 0 HG2 GLU A 43 -0.858 -4.639 8.388 1.00 40.33 H new ATOM 0 HG3 GLU A 43 0.721 -5.342 8.675 1.00 40.33 H new ATOM 696 N ILE A 44 1.380 -1.374 5.324 1.00 75.24 N ATOM 697 CA ILE A 44 2.070 -0.193 4.791 1.00 73.21 C ATOM 698 C ILE A 44 1.328 1.099 5.171 1.00 50.44 C ATOM 699 O ILE A 44 0.214 1.348 4.712 1.00 73.21 O ATOM 700 CB ILE A 44 2.193 -0.265 3.246 1.00 62.44 C ATOM 701 CG1 ILE A 44 2.959 -1.533 2.827 1.00 52.24 C ATOM 702 CG2 ILE A 44 2.878 0.988 2.696 1.00 14.44 C ATOM 703 CD1 ILE A 44 3.077 -1.716 1.326 1.00 72.11 C ATOM 0 H ILE A 44 0.544 -1.636 4.802 1.00 75.24 H new ATOM 0 HA ILE A 44 3.067 -0.181 5.231 1.00 73.21 H new ATOM 0 HB ILE A 44 1.189 -0.313 2.824 1.00 62.44 H new ATOM 0 HG12 ILE A 44 3.960 -1.499 3.258 1.00 52.24 H new ATOM 0 HG13 ILE A 44 2.458 -2.404 3.250 1.00 52.24 H new ATOM 0 HG21 ILE A 44 2.953 0.915 1.611 1.00 14.44 H new ATOM 0 HG22 ILE A 44 2.293 1.869 2.961 1.00 14.44 H new ATOM 0 HG23 ILE A 44 3.877 1.074 3.124 1.00 14.44 H new ATOM 0 HD11 ILE A 44 3.629 -2.631 1.113 1.00 72.11 H new ATOM 0 HD12 ILE A 44 2.081 -1.783 0.888 1.00 72.11 H new ATOM 0 HD13 ILE A 44 3.605 -0.865 0.896 1.00 72.11 H new ATOM 715 N ARG A 45 1.950 1.920 6.006 1.00 43.34 N ATOM 716 CA ARG A 45 1.331 3.168 6.461 1.00 12.25 C ATOM 717 C ARG A 45 2.025 4.392 5.837 1.00 62.40 C ATOM 718 O ARG A 45 3.231 4.591 6.009 1.00 64.42 O ATOM 719 CB ARG A 45 1.379 3.243 7.991 1.00 62.25 C ATOM 720 CG ARG A 45 0.539 4.370 8.581 1.00 12.11 C ATOM 721 CD ARG A 45 0.565 4.358 10.106 1.00 61.05 C ATOM 722 NE ARG A 45 -0.412 5.285 10.670 1.00 4.31 N ATOM 723 CZ ARG A 45 -0.658 5.413 11.942 1.00 51.52 C ATOM 724 NH1 ARG A 45 0.015 4.740 12.816 1.00 22.30 N ATOM 725 NH2 ARG A 45 -1.573 6.234 12.331 1.00 21.11 N ATOM 0 H ARG A 45 2.882 1.749 6.384 1.00 43.34 H new ATOM 0 HA ARG A 45 0.291 3.177 6.136 1.00 12.25 H new ATOM 0 HB2 ARG A 45 1.036 2.294 8.402 1.00 62.25 H new ATOM 0 HB3 ARG A 45 2.414 3.371 8.306 1.00 62.25 H new ATOM 0 HG2 ARG A 45 0.911 5.328 8.219 1.00 12.11 H new ATOM 0 HG3 ARG A 45 -0.490 4.276 8.234 1.00 12.11 H new ATOM 0 HD2 ARG A 45 0.360 3.350 10.466 1.00 61.05 H new ATOM 0 HD3 ARG A 45 1.563 4.624 10.455 1.00 61.05 H new ATOM 0 HE ARG A 45 -0.938 5.873 10.023 1.00 4.31 H new ATOM 0 HH11 ARG A 45 0.749 4.100 12.512 1.00 22.30 H new ATOM 0 HH12 ARG A 45 -0.187 4.849 13.810 1.00 22.30 H new ATOM 0 HH21 ARG A 45 -2.097 6.776 11.644 1.00 21.11 H new ATOM 0 HH22 ARG A 45 -1.773 6.341 13.325 1.00 21.11 H new ATOM 739 N ILE A 46 1.256 5.200 5.104 1.00 74.43 N ATOM 740 CA ILE A 46 1.784 6.394 4.429 1.00 21.23 C ATOM 741 C ILE A 46 1.248 7.684 5.078 1.00 14.02 C ATOM 742 O ILE A 46 0.055 7.985 4.999 1.00 53.21 O ATOM 743 CB ILE A 46 1.412 6.386 2.921 1.00 55.11 C ATOM 744 CG1 ILE A 46 1.846 5.061 2.264 1.00 62.04 C ATOM 745 CG2 ILE A 46 2.052 7.574 2.203 1.00 52.23 C ATOM 746 CD1 ILE A 46 1.461 4.939 0.802 1.00 53.24 C ATOM 0 H ILE A 46 0.257 5.050 4.960 1.00 74.43 H new ATOM 0 HA ILE A 46 2.869 6.371 4.532 1.00 21.23 H new ATOM 0 HB ILE A 46 0.329 6.475 2.835 1.00 55.11 H new ATOM 0 HG12 ILE A 46 2.928 4.961 2.353 1.00 62.04 H new ATOM 0 HG13 ILE A 46 1.403 4.232 2.816 1.00 62.04 H new ATOM 0 HG21 ILE A 46 1.780 7.551 1.148 1.00 52.23 H new ATOM 0 HG22 ILE A 46 1.697 8.503 2.649 1.00 52.23 H new ATOM 0 HG23 ILE A 46 3.136 7.516 2.299 1.00 52.23 H new ATOM 0 HD11 ILE A 46 1.802 3.979 0.415 1.00 53.24 H new ATOM 0 HD12 ILE A 46 0.377 5.005 0.704 1.00 53.24 H new ATOM 0 HD13 ILE A 46 1.926 5.745 0.235 1.00 53.24 H new ATOM 758 N THR A 47 2.133 8.444 5.722 1.00 23.34 N ATOM 759 CA THR A 47 1.738 9.677 6.431 1.00 71.23 C ATOM 760 C THR A 47 2.187 10.944 5.686 1.00 1.34 C ATOM 761 O THR A 47 3.344 11.055 5.273 1.00 3.12 O ATOM 762 CB THR A 47 2.329 9.710 7.866 1.00 35.45 C ATOM 763 OG1 THR A 47 1.916 8.547 8.597 1.00 4.53 O ATOM 764 CG2 THR A 47 1.895 10.963 8.624 1.00 33.22 C ATOM 0 H THR A 47 3.130 8.234 5.772 1.00 23.34 H new ATOM 0 HA THR A 47 0.649 9.665 6.478 1.00 71.23 H new ATOM 0 HB THR A 47 3.415 9.723 7.773 1.00 35.45 H new ATOM 0 HG1 THR A 47 1.059 8.725 9.038 1.00 4.53 H new ATOM 0 HG21 THR A 47 2.328 10.951 9.624 1.00 33.22 H new ATOM 0 HG22 THR A 47 2.239 11.849 8.090 1.00 33.22 H new ATOM 0 HG23 THR A 47 0.808 10.984 8.699 1.00 33.22 H new ATOM 772 N GLY A 48 1.272 11.903 5.532 1.00 34.52 N ATOM 773 CA GLY A 48 1.610 13.188 4.920 1.00 53.20 C ATOM 774 C GLY A 48 1.595 13.176 3.391 1.00 74.50 C ATOM 775 O GLY A 48 2.619 13.428 2.753 1.00 54.15 O ATOM 0 H GLY A 48 0.298 11.815 5.821 1.00 34.52 H new ATOM 0 HA2 GLY A 48 0.907 13.942 5.273 1.00 53.20 H new ATOM 0 HA3 GLY A 48 2.600 13.491 5.260 1.00 53.20 H new ATOM 779 N VAL A 49 0.431 12.903 2.799 1.00 43.31 N ATOM 780 CA VAL A 49 0.278 12.909 1.335 1.00 52.41 C ATOM 781 C VAL A 49 -0.979 13.689 0.889 1.00 25.04 C ATOM 782 O VAL A 49 -2.038 13.593 1.513 1.00 33.24 O ATOM 783 CB VAL A 49 0.225 11.468 0.758 1.00 5.21 C ATOM 784 CG1 VAL A 49 1.594 10.800 0.856 1.00 32.44 C ATOM 785 CG2 VAL A 49 -0.838 10.630 1.471 1.00 5.41 C ATOM 0 H VAL A 49 -0.423 12.674 3.308 1.00 43.31 H new ATOM 0 HA VAL A 49 1.159 13.415 0.939 1.00 52.41 H new ATOM 0 HB VAL A 49 -0.051 11.535 -0.294 1.00 5.21 H new ATOM 0 HG11 VAL A 49 1.537 9.791 0.447 1.00 32.44 H new ATOM 0 HG12 VAL A 49 2.323 11.380 0.291 1.00 32.44 H new ATOM 0 HG13 VAL A 49 1.901 10.751 1.901 1.00 32.44 H new ATOM 0 HG21 VAL A 49 -0.854 9.626 1.048 1.00 5.41 H new ATOM 0 HG22 VAL A 49 -0.603 10.572 2.534 1.00 5.41 H new ATOM 0 HG23 VAL A 49 -1.815 11.094 1.340 1.00 5.41 H new ATOM 795 N PRO A 50 -0.870 14.486 -0.199 1.00 74.33 N ATOM 796 CA PRO A 50 -2.004 15.265 -0.735 1.00 32.33 C ATOM 797 C PRO A 50 -3.211 14.388 -1.120 1.00 61.43 C ATOM 798 O PRO A 50 -3.068 13.375 -1.815 1.00 63.04 O ATOM 799 CB PRO A 50 -1.415 15.971 -1.972 1.00 23.30 C ATOM 800 CG PRO A 50 -0.152 15.235 -2.287 1.00 71.42 C ATOM 801 CD PRO A 50 0.363 14.706 -0.977 1.00 1.12 C ATOM 0 HA PRO A 50 -2.400 15.955 0.010 1.00 32.33 H new ATOM 0 HB2 PRO A 50 -2.109 15.937 -2.812 1.00 23.30 H new ATOM 0 HB3 PRO A 50 -1.216 17.023 -1.766 1.00 23.30 H new ATOM 0 HG2 PRO A 50 -0.340 14.422 -2.988 1.00 71.42 H new ATOM 0 HG3 PRO A 50 0.578 15.896 -2.754 1.00 71.42 H new ATOM 0 HD2 PRO A 50 0.927 13.783 -1.109 1.00 1.12 H new ATOM 0 HD3 PRO A 50 1.027 15.418 -0.487 1.00 1.12 H new ATOM 809 N GLU A 51 -4.402 14.808 -0.683 1.00 52.32 N ATOM 810 CA GLU A 51 -5.641 14.031 -0.849 1.00 10.14 C ATOM 811 C GLU A 51 -5.885 13.587 -2.304 1.00 22.12 C ATOM 812 O GLU A 51 -6.383 12.489 -2.548 1.00 34.24 O ATOM 813 CB GLU A 51 -6.840 14.855 -0.352 1.00 3.45 C ATOM 814 CG GLU A 51 -7.077 16.137 -1.146 1.00 51.32 C ATOM 815 CD GLU A 51 -8.241 16.957 -0.614 1.00 42.43 C ATOM 816 OE1 GLU A 51 -9.404 16.603 -0.897 1.00 53.12 O ATOM 817 OE2 GLU A 51 -7.995 17.964 0.085 1.00 34.32 O ATOM 0 H GLU A 51 -4.538 15.698 -0.203 1.00 52.32 H new ATOM 0 HA GLU A 51 -5.528 13.124 -0.255 1.00 10.14 H new ATOM 0 HB2 GLU A 51 -7.737 14.238 -0.399 1.00 3.45 H new ATOM 0 HB3 GLU A 51 -6.684 15.111 0.696 1.00 3.45 H new ATOM 0 HG2 GLU A 51 -6.172 16.744 -1.124 1.00 51.32 H new ATOM 0 HG3 GLU A 51 -7.265 15.883 -2.189 1.00 51.32 H new ATOM 824 N GLN A 52 -5.530 14.434 -3.267 1.00 73.45 N ATOM 825 CA GLN A 52 -5.762 14.119 -4.685 1.00 43.55 C ATOM 826 C GLN A 52 -4.892 12.937 -5.161 1.00 44.32 C ATOM 827 O GLN A 52 -5.324 12.126 -5.981 1.00 60.31 O ATOM 828 CB GLN A 52 -5.508 15.353 -5.560 1.00 1.52 C ATOM 829 CG GLN A 52 -4.060 15.833 -5.562 1.00 10.34 C ATOM 830 CD GLN A 52 -3.855 17.046 -6.450 1.00 71.23 C ATOM 831 OE1 GLN A 52 -4.562 17.239 -7.432 1.00 4.31 O ATOM 832 NE2 GLN A 52 -2.882 17.867 -6.123 1.00 41.23 N ATOM 0 H GLN A 52 -5.085 15.336 -3.100 1.00 73.45 H new ATOM 0 HA GLN A 52 -6.806 13.822 -4.785 1.00 43.55 H new ATOM 0 HB2 GLN A 52 -5.805 15.125 -6.584 1.00 1.52 H new ATOM 0 HB3 GLN A 52 -6.148 16.166 -5.216 1.00 1.52 H new ATOM 0 HG2 GLN A 52 -3.759 16.077 -4.543 1.00 10.34 H new ATOM 0 HG3 GLN A 52 -3.412 15.024 -5.901 1.00 10.34 H new ATOM 0 HE21 GLN A 52 -2.311 17.679 -5.299 1.00 41.23 H new ATOM 0 HE22 GLN A 52 -2.698 18.693 -6.693 1.00 41.23 H new ATOM 841 N VAL A 53 -3.673 12.832 -4.630 1.00 21.21 N ATOM 842 CA VAL A 53 -2.746 11.755 -5.012 1.00 31.24 C ATOM 843 C VAL A 53 -3.156 10.417 -4.375 1.00 2.22 C ATOM 844 O VAL A 53 -2.764 9.344 -4.839 1.00 42.15 O ATOM 845 CB VAL A 53 -1.287 12.102 -4.610 1.00 51.52 C ATOM 846 CG1 VAL A 53 -0.316 10.986 -5.008 1.00 1.21 C ATOM 847 CG2 VAL A 53 -0.866 13.434 -5.232 1.00 62.40 C ATOM 0 H VAL A 53 -3.301 13.478 -3.934 1.00 21.21 H new ATOM 0 HA VAL A 53 -2.796 11.656 -6.096 1.00 31.24 H new ATOM 0 HB VAL A 53 -1.251 12.197 -3.525 1.00 51.52 H new ATOM 0 HG11 VAL A 53 0.696 11.262 -4.712 1.00 1.21 H new ATOM 0 HG12 VAL A 53 -0.601 10.060 -4.508 1.00 1.21 H new ATOM 0 HG13 VAL A 53 -0.351 10.841 -6.088 1.00 1.21 H new ATOM 0 HG21 VAL A 53 0.159 13.664 -4.941 1.00 62.40 H new ATOM 0 HG22 VAL A 53 -0.928 13.364 -6.318 1.00 62.40 H new ATOM 0 HG23 VAL A 53 -1.529 14.225 -4.881 1.00 62.40 H new ATOM 857 N ARG A 54 -3.969 10.495 -3.323 1.00 64.32 N ATOM 858 CA ARG A 54 -4.489 9.307 -2.636 1.00 43.12 C ATOM 859 C ARG A 54 -5.115 8.301 -3.619 1.00 13.33 C ATOM 860 O ARG A 54 -4.991 7.089 -3.441 1.00 55.40 O ATOM 861 CB ARG A 54 -5.522 9.741 -1.589 1.00 74.44 C ATOM 862 CG ARG A 54 -6.229 8.592 -0.876 1.00 54.11 C ATOM 863 CD ARG A 54 -7.210 9.113 0.169 1.00 4.22 C ATOM 864 NE ARG A 54 -8.193 10.033 -0.405 1.00 61.43 N ATOM 865 CZ ARG A 54 -8.849 10.931 0.282 1.00 43.14 C ATOM 866 NH1 ARG A 54 -8.625 11.085 1.547 1.00 44.22 N ATOM 867 NH2 ARG A 54 -9.721 11.686 -0.303 1.00 11.54 N ATOM 0 H ARG A 54 -4.286 11.377 -2.922 1.00 64.32 H new ATOM 0 HA ARG A 54 -3.655 8.802 -2.149 1.00 43.12 H new ATOM 0 HB2 ARG A 54 -5.025 10.362 -0.844 1.00 74.44 H new ATOM 0 HB3 ARG A 54 -6.272 10.365 -2.075 1.00 74.44 H new ATOM 0 HG2 ARG A 54 -6.761 7.980 -1.605 1.00 54.11 H new ATOM 0 HG3 ARG A 54 -5.491 7.948 -0.397 1.00 54.11 H new ATOM 0 HD2 ARG A 54 -7.728 8.272 0.630 1.00 4.22 H new ATOM 0 HD3 ARG A 54 -6.659 9.621 0.961 1.00 4.22 H new ATOM 0 HE ARG A 54 -8.378 9.969 -1.406 1.00 61.43 H new ATOM 0 HH11 ARG A 54 -7.931 10.503 2.017 1.00 44.22 H new ATOM 0 HH12 ARG A 54 -9.142 11.788 2.075 1.00 44.22 H new ATOM 0 HH21 ARG A 54 -9.898 11.581 -1.302 1.00 11.54 H new ATOM 0 HH22 ARG A 54 -10.232 12.386 0.235 1.00 11.54 H new ATOM 881 N LYS A 55 -5.779 8.812 -4.659 1.00 70.51 N ATOM 882 CA LYS A 55 -6.381 7.955 -5.691 1.00 53.54 C ATOM 883 C LYS A 55 -5.315 7.124 -6.426 1.00 73.33 C ATOM 884 O LYS A 55 -5.510 5.935 -6.673 1.00 23.13 O ATOM 885 CB LYS A 55 -7.171 8.802 -6.700 1.00 50.12 C ATOM 886 CG LYS A 55 -8.389 9.502 -6.107 1.00 22.14 C ATOM 887 CD LYS A 55 -9.369 8.506 -5.493 1.00 21.45 C ATOM 888 CE LYS A 55 -10.653 9.183 -5.028 1.00 72.43 C ATOM 889 NZ LYS A 55 -11.415 9.770 -6.165 1.00 34.32 N ATOM 0 H LYS A 55 -5.915 9.811 -4.811 1.00 70.51 H new ATOM 0 HA LYS A 55 -7.062 7.267 -5.190 1.00 53.54 H new ATOM 0 HB2 LYS A 55 -6.506 9.553 -7.127 1.00 50.12 H new ATOM 0 HB3 LYS A 55 -7.497 8.161 -7.520 1.00 50.12 H new ATOM 0 HG2 LYS A 55 -8.066 10.211 -5.345 1.00 22.14 H new ATOM 0 HG3 LYS A 55 -8.893 10.076 -6.884 1.00 22.14 H new ATOM 0 HD2 LYS A 55 -9.610 7.736 -6.225 1.00 21.45 H new ATOM 0 HD3 LYS A 55 -8.896 8.006 -4.648 1.00 21.45 H new ATOM 0 HE2 LYS A 55 -11.278 8.457 -4.508 1.00 72.43 H new ATOM 0 HE3 LYS A 55 -10.411 9.967 -4.310 1.00 72.43 H new ATOM 0 HZ1 LYS A 55 -12.383 9.991 -5.857 1.00 34.32 H new ATOM 0 HZ2 LYS A 55 -10.946 10.641 -6.484 1.00 34.32 H new ATOM 0 HZ3 LYS A 55 -11.449 9.088 -6.949 1.00 34.32 H new ATOM 903 N GLU A 56 -4.191 7.751 -6.768 1.00 72.34 N ATOM 904 CA GLU A 56 -3.086 7.046 -7.432 1.00 51.54 C ATOM 905 C GLU A 56 -2.484 5.974 -6.515 1.00 64.10 C ATOM 906 O GLU A 56 -2.210 4.854 -6.949 1.00 64.22 O ATOM 907 CB GLU A 56 -1.997 8.038 -7.867 1.00 11.12 C ATOM 908 CG GLU A 56 -2.454 9.017 -8.945 1.00 63.31 C ATOM 909 CD GLU A 56 -2.935 8.317 -10.211 1.00 14.14 C ATOM 910 OE1 GLU A 56 -2.099 7.723 -10.927 1.00 42.11 O ATOM 911 OE2 GLU A 56 -4.151 8.363 -10.502 1.00 32.45 O ATOM 0 H GLU A 56 -4.018 8.742 -6.599 1.00 72.34 H new ATOM 0 HA GLU A 56 -3.489 6.553 -8.317 1.00 51.54 H new ATOM 0 HB2 GLU A 56 -1.662 8.601 -6.996 1.00 11.12 H new ATOM 0 HB3 GLU A 56 -1.136 7.480 -8.236 1.00 11.12 H new ATOM 0 HG2 GLU A 56 -3.259 9.637 -8.549 1.00 63.31 H new ATOM 0 HG3 GLU A 56 -1.630 9.686 -9.195 1.00 63.31 H new ATOM 918 N LEU A 57 -2.291 6.324 -5.245 1.00 31.41 N ATOM 919 CA LEU A 57 -1.771 5.378 -4.249 1.00 34.22 C ATOM 920 C LEU A 57 -2.724 4.182 -4.072 1.00 74.42 C ATOM 921 O LEU A 57 -2.291 3.030 -3.999 1.00 52.14 O ATOM 922 CB LEU A 57 -1.560 6.086 -2.902 1.00 14.05 C ATOM 923 CG LEU A 57 -0.589 7.283 -2.929 1.00 53.41 C ATOM 924 CD1 LEU A 57 -0.494 7.933 -1.548 1.00 31.33 C ATOM 925 CD2 LEU A 57 0.795 6.852 -3.424 1.00 3.45 C ATOM 0 H LEU A 57 -2.486 7.255 -4.877 1.00 31.41 H new ATOM 0 HA LEU A 57 -0.813 5.002 -4.608 1.00 34.22 H new ATOM 0 HB2 LEU A 57 -2.527 6.433 -2.538 1.00 14.05 H new ATOM 0 HB3 LEU A 57 -1.191 5.356 -2.181 1.00 14.05 H new ATOM 0 HG LEU A 57 -0.981 8.022 -3.627 1.00 53.41 H new ATOM 0 HD11 LEU A 57 0.196 8.776 -1.589 1.00 31.33 H new ATOM 0 HD12 LEU A 57 -1.479 8.286 -1.243 1.00 31.33 H new ATOM 0 HD13 LEU A 57 -0.131 7.202 -0.826 1.00 31.33 H new ATOM 0 HD21 LEU A 57 1.462 7.714 -3.434 1.00 3.45 H new ATOM 0 HD22 LEU A 57 1.198 6.089 -2.758 1.00 3.45 H new ATOM 0 HD23 LEU A 57 0.711 6.446 -4.432 1.00 3.45 H new ATOM 937 N ALA A 58 -4.025 4.464 -4.020 1.00 51.54 N ATOM 938 CA ALA A 58 -5.041 3.416 -3.873 1.00 65.32 C ATOM 939 C ALA A 58 -5.122 2.530 -5.121 1.00 42.23 C ATOM 940 O ALA A 58 -5.170 1.304 -5.023 1.00 14.12 O ATOM 941 CB ALA A 58 -6.401 4.038 -3.570 1.00 0.32 C ATOM 0 H ALA A 58 -4.403 5.410 -4.077 1.00 51.54 H new ATOM 0 HA ALA A 58 -4.747 2.781 -3.037 1.00 65.32 H new ATOM 0 HB1 ALA A 58 -7.146 3.250 -3.463 1.00 0.32 H new ATOM 0 HB2 ALA A 58 -6.342 4.609 -2.643 1.00 0.32 H new ATOM 0 HB3 ALA A 58 -6.688 4.700 -4.387 1.00 0.32 H new ATOM 947 N LYS A 59 -5.130 3.156 -6.296 1.00 75.13 N ATOM 948 CA LYS A 59 -5.209 2.422 -7.560 1.00 32.02 C ATOM 949 C LYS A 59 -3.951 1.572 -7.795 1.00 11.43 C ATOM 950 O LYS A 59 -4.019 0.489 -8.390 1.00 0.34 O ATOM 951 CB LYS A 59 -5.440 3.392 -8.724 1.00 52.31 C ATOM 952 CG LYS A 59 -5.698 2.697 -10.060 1.00 24.05 C ATOM 953 CD LYS A 59 -6.296 3.645 -11.095 1.00 31.42 C ATOM 954 CE LYS A 59 -7.630 4.219 -10.628 1.00 0.42 C ATOM 955 NZ LYS A 59 -8.599 3.152 -10.252 1.00 51.20 N ATOM 0 H LYS A 59 -5.083 4.170 -6.401 1.00 75.13 H new ATOM 0 HA LYS A 59 -6.057 1.740 -7.503 1.00 32.02 H new ATOM 0 HB2 LYS A 59 -6.289 4.033 -8.488 1.00 52.31 H new ATOM 0 HB3 LYS A 59 -4.569 4.040 -8.824 1.00 52.31 H new ATOM 0 HG2 LYS A 59 -4.763 2.288 -10.442 1.00 24.05 H new ATOM 0 HG3 LYS A 59 -6.374 1.856 -9.906 1.00 24.05 H new ATOM 0 HD2 LYS A 59 -5.598 4.459 -11.290 1.00 31.42 H new ATOM 0 HD3 LYS A 59 -6.438 3.114 -12.036 1.00 31.42 H new ATOM 0 HE2 LYS A 59 -7.463 4.874 -9.773 1.00 0.42 H new ATOM 0 HE3 LYS A 59 -8.057 4.833 -11.421 1.00 0.42 H new ATOM 0 HZ1 LYS A 59 -9.539 3.573 -10.105 1.00 51.20 H new ATOM 0 HZ2 LYS A 59 -8.651 2.446 -11.014 1.00 51.20 H new ATOM 0 HZ3 LYS A 59 -8.285 2.691 -9.374 1.00 51.20 H new ATOM 969 N GLU A 60 -2.808 2.065 -7.321 1.00 33.32 N ATOM 970 CA GLU A 60 -1.569 1.284 -7.328 1.00 74.13 C ATOM 971 C GLU A 60 -1.756 0.010 -6.486 1.00 5.55 C ATOM 972 O GLU A 60 -1.399 -1.091 -6.908 1.00 24.13 O ATOM 973 CB GLU A 60 -0.409 2.127 -6.774 1.00 22.34 C ATOM 974 CG GLU A 60 0.972 1.499 -6.953 1.00 45.13 C ATOM 975 CD GLU A 60 1.388 1.405 -8.414 1.00 3.53 C ATOM 976 OE1 GLU A 60 1.712 2.452 -9.013 1.00 20.24 O ATOM 977 OE2 GLU A 60 1.368 0.291 -8.978 1.00 70.23 O ATOM 0 H GLU A 60 -2.713 3.001 -6.927 1.00 33.32 H new ATOM 0 HA GLU A 60 -1.330 0.999 -8.353 1.00 74.13 H new ATOM 0 HB2 GLU A 60 -0.418 3.101 -7.264 1.00 22.34 H new ATOM 0 HB3 GLU A 60 -0.579 2.303 -5.712 1.00 22.34 H new ATOM 0 HG2 GLU A 60 1.708 2.088 -6.407 1.00 45.13 H new ATOM 0 HG3 GLU A 60 0.973 0.501 -6.514 1.00 45.13 H new ATOM 984 N ALA A 61 -2.351 0.170 -5.301 1.00 51.23 N ATOM 985 CA ALA A 61 -2.665 -0.964 -4.421 1.00 52.24 C ATOM 986 C ALA A 61 -3.641 -1.948 -5.093 1.00 23.30 C ATOM 987 O ALA A 61 -3.477 -3.166 -4.992 1.00 32.44 O ATOM 988 CB ALA A 61 -3.234 -0.462 -3.098 1.00 2.30 C ATOM 0 H ALA A 61 -2.627 1.077 -4.926 1.00 51.23 H new ATOM 0 HA ALA A 61 -1.739 -1.504 -4.225 1.00 52.24 H new ATOM 0 HB1 ALA A 61 -3.463 -1.312 -2.455 1.00 2.30 H new ATOM 0 HB2 ALA A 61 -2.502 0.179 -2.607 1.00 2.30 H new ATOM 0 HB3 ALA A 61 -4.145 0.106 -3.286 1.00 2.30 H new ATOM 994 N GLU A 62 -4.655 -1.408 -5.781 1.00 14.30 N ATOM 995 CA GLU A 62 -5.599 -2.234 -6.551 1.00 52.51 C ATOM 996 C GLU A 62 -4.846 -3.114 -7.560 1.00 74.01 C ATOM 997 O GLU A 62 -5.113 -4.312 -7.690 1.00 30.20 O ATOM 998 CB GLU A 62 -6.617 -1.356 -7.310 1.00 33.22 C ATOM 999 CG GLU A 62 -7.473 -0.453 -6.423 1.00 14.43 C ATOM 1000 CD GLU A 62 -8.533 0.311 -7.211 1.00 72.04 C ATOM 1001 OE1 GLU A 62 -8.185 1.297 -7.900 1.00 10.31 O ATOM 1002 OE2 GLU A 62 -9.718 -0.075 -7.154 1.00 54.31 O ATOM 0 H GLU A 62 -4.844 -0.406 -5.821 1.00 14.30 H new ATOM 0 HA GLU A 62 -6.134 -2.866 -5.842 1.00 52.51 H new ATOM 0 HB2 GLU A 62 -6.077 -0.734 -8.024 1.00 33.22 H new ATOM 0 HB3 GLU A 62 -7.276 -2.005 -7.887 1.00 33.22 H new ATOM 0 HG2 GLU A 62 -7.960 -1.058 -5.658 1.00 14.43 H new ATOM 0 HG3 GLU A 62 -6.829 0.257 -5.905 1.00 14.43 H new ATOM 1009 N ARG A 63 -3.897 -2.500 -8.262 1.00 64.11 N ATOM 1010 CA ARG A 63 -3.083 -3.202 -9.256 1.00 33.21 C ATOM 1011 C ARG A 63 -2.201 -4.277 -8.601 1.00 35.22 C ATOM 1012 O ARG A 63 -2.171 -5.421 -9.047 1.00 65.51 O ATOM 1013 CB ARG A 63 -2.208 -2.198 -10.020 1.00 2.43 C ATOM 1014 CG ARG A 63 -1.354 -2.832 -11.114 1.00 52.14 C ATOM 1015 CD ARG A 63 -2.211 -3.507 -12.179 1.00 21.21 C ATOM 1016 NE ARG A 63 -1.398 -4.152 -13.203 1.00 74.21 N ATOM 1017 CZ ARG A 63 -1.364 -3.795 -14.454 1.00 52.03 C ATOM 1018 NH1 ARG A 63 -2.091 -2.810 -14.885 1.00 70.40 N ATOM 1019 NH2 ARG A 63 -0.598 -4.430 -15.275 1.00 43.14 N ATOM 0 H ARG A 63 -3.670 -1.511 -8.161 1.00 64.11 H new ATOM 0 HA ARG A 63 -3.757 -3.700 -9.953 1.00 33.21 H new ATOM 0 HB2 ARG A 63 -2.849 -1.438 -10.467 1.00 2.43 H new ATOM 0 HB3 ARG A 63 -1.555 -1.688 -9.312 1.00 2.43 H new ATOM 0 HG2 ARG A 63 -0.732 -2.067 -11.579 1.00 52.14 H new ATOM 0 HG3 ARG A 63 -0.680 -3.565 -10.671 1.00 52.14 H new ATOM 0 HD2 ARG A 63 -2.857 -4.248 -11.709 1.00 21.21 H new ATOM 0 HD3 ARG A 63 -2.861 -2.766 -12.645 1.00 21.21 H new ATOM 0 HE ARG A 63 -0.814 -4.939 -12.919 1.00 74.21 H new ATOM 0 HH11 ARG A 63 -2.699 -2.305 -14.240 1.00 70.40 H new ATOM 0 HH12 ARG A 63 -2.054 -2.541 -15.868 1.00 70.40 H new ATOM 0 HH21 ARG A 63 -0.025 -5.205 -14.942 1.00 43.14 H new ATOM 0 HH22 ARG A 63 -0.565 -4.157 -16.257 1.00 43.14 H new ATOM 1033 N LEU A 64 -1.488 -3.894 -7.544 1.00 70.11 N ATOM 1034 CA LEU A 64 -0.605 -4.815 -6.812 1.00 70.42 C ATOM 1035 C LEU A 64 -1.348 -6.077 -6.345 1.00 34.44 C ATOM 1036 O LEU A 64 -0.847 -7.197 -6.492 1.00 32.30 O ATOM 1037 CB LEU A 64 0.015 -4.089 -5.610 1.00 73.52 C ATOM 1038 CG LEU A 64 1.013 -2.975 -5.968 1.00 50.32 C ATOM 1039 CD1 LEU A 64 1.390 -2.157 -4.735 1.00 41.42 C ATOM 1040 CD2 LEU A 64 2.260 -3.570 -6.619 1.00 44.00 C ATOM 0 H LEU A 64 -1.502 -2.946 -7.169 1.00 70.11 H new ATOM 0 HA LEU A 64 0.182 -5.137 -7.494 1.00 70.42 H new ATOM 0 HB2 LEU A 64 -0.788 -3.659 -5.011 1.00 73.52 H new ATOM 0 HB3 LEU A 64 0.522 -4.823 -4.983 1.00 73.52 H new ATOM 0 HG LEU A 64 0.532 -2.304 -6.680 1.00 50.32 H new ATOM 0 HD11 LEU A 64 2.097 -1.377 -5.018 1.00 41.42 H new ATOM 0 HD12 LEU A 64 0.495 -1.700 -4.314 1.00 41.42 H new ATOM 0 HD13 LEU A 64 1.848 -2.809 -3.992 1.00 41.42 H new ATOM 0 HD21 LEU A 64 2.958 -2.770 -6.867 1.00 44.00 H new ATOM 0 HD22 LEU A 64 2.736 -4.265 -5.927 1.00 44.00 H new ATOM 0 HD23 LEU A 64 1.978 -4.100 -7.528 1.00 44.00 H new ATOM 1052 N ALA A 65 -2.541 -5.891 -5.787 1.00 42.13 N ATOM 1053 CA ALA A 65 -3.368 -7.013 -5.335 1.00 74.52 C ATOM 1054 C ALA A 65 -3.763 -7.934 -6.500 1.00 12.03 C ATOM 1055 O ALA A 65 -3.473 -9.132 -6.484 1.00 70.34 O ATOM 1056 CB ALA A 65 -4.615 -6.495 -4.630 1.00 13.21 C ATOM 0 H ALA A 65 -2.960 -4.973 -5.635 1.00 42.13 H new ATOM 0 HA ALA A 65 -2.775 -7.601 -4.634 1.00 74.52 H new ATOM 0 HB1 ALA A 65 -5.222 -7.337 -4.298 1.00 13.21 H new ATOM 0 HB2 ALA A 65 -4.323 -5.896 -3.767 1.00 13.21 H new ATOM 0 HB3 ALA A 65 -5.194 -5.880 -5.319 1.00 13.21 H new ATOM 1062 N LYS A 66 -4.407 -7.363 -7.518 1.00 44.51 N ATOM 1063 CA LYS A 66 -4.885 -8.137 -8.673 1.00 63.03 C ATOM 1064 C LYS A 66 -3.733 -8.809 -9.437 1.00 63.50 C ATOM 1065 O LYS A 66 -3.878 -9.929 -9.931 1.00 14.30 O ATOM 1066 CB LYS A 66 -5.681 -7.232 -9.625 1.00 4.15 C ATOM 1067 CG LYS A 66 -6.980 -6.696 -9.032 1.00 33.54 C ATOM 1068 CD LYS A 66 -7.923 -7.822 -8.607 1.00 30.43 C ATOM 1069 CE LYS A 66 -9.292 -7.286 -8.211 1.00 23.34 C ATOM 1070 NZ LYS A 66 -9.994 -6.657 -9.362 1.00 75.32 N ATOM 0 H LYS A 66 -4.612 -6.365 -7.570 1.00 44.51 H new ATOM 0 HA LYS A 66 -5.532 -8.926 -8.288 1.00 63.03 H new ATOM 0 HB2 LYS A 66 -5.054 -6.391 -9.919 1.00 4.15 H new ATOM 0 HB3 LYS A 66 -5.911 -7.790 -10.532 1.00 4.15 H new ATOM 0 HG2 LYS A 66 -6.753 -6.068 -8.170 1.00 33.54 H new ATOM 0 HG3 LYS A 66 -7.479 -6.062 -9.765 1.00 33.54 H new ATOM 0 HD2 LYS A 66 -8.033 -8.534 -9.425 1.00 30.43 H new ATOM 0 HD3 LYS A 66 -7.488 -8.365 -7.768 1.00 30.43 H new ATOM 0 HE2 LYS A 66 -9.900 -8.099 -7.815 1.00 23.34 H new ATOM 0 HE3 LYS A 66 -9.178 -6.554 -7.411 1.00 23.34 H new ATOM 0 HZ1 LYS A 66 -11.009 -6.582 -9.150 1.00 75.32 H new ATOM 0 HZ2 LYS A 66 -9.604 -5.708 -9.530 1.00 75.32 H new ATOM 0 HZ3 LYS A 66 -9.860 -7.241 -10.212 1.00 75.32 H new ATOM 1084 N GLU A 67 -2.588 -8.134 -9.516 1.00 55.34 N ATOM 1085 CA GLU A 67 -1.430 -8.652 -10.255 1.00 24.01 C ATOM 1086 C GLU A 67 -0.963 -10.006 -9.684 1.00 54.35 C ATOM 1087 O GLU A 67 -0.506 -10.882 -10.420 1.00 71.42 O ATOM 1088 CB GLU A 67 -0.274 -7.637 -10.219 1.00 24.20 C ATOM 1089 CG GLU A 67 0.717 -7.779 -11.371 1.00 1.12 C ATOM 1090 CD GLU A 67 0.159 -7.280 -12.702 1.00 40.34 C ATOM 1091 OE1 GLU A 67 -0.682 -7.976 -13.307 1.00 5.11 O ATOM 1092 OE2 GLU A 67 0.559 -6.183 -13.149 1.00 54.13 O ATOM 0 H GLU A 67 -2.434 -7.226 -9.078 1.00 55.34 H new ATOM 0 HA GLU A 67 -1.736 -8.807 -11.290 1.00 24.01 H new ATOM 0 HB2 GLU A 67 -0.689 -6.629 -10.233 1.00 24.20 H new ATOM 0 HB3 GLU A 67 0.263 -7.747 -9.277 1.00 24.20 H new ATOM 0 HG2 GLU A 67 1.625 -7.224 -11.133 1.00 1.12 H new ATOM 0 HG3 GLU A 67 1.001 -8.827 -11.472 1.00 1.12 H new ATOM 1099 N PHE A 68 -1.077 -10.163 -8.364 1.00 44.03 N ATOM 1100 CA PHE A 68 -0.756 -11.434 -7.693 1.00 52.21 C ATOM 1101 C PHE A 68 -2.030 -12.180 -7.255 1.00 61.50 C ATOM 1102 O PHE A 68 -1.956 -13.266 -6.675 1.00 32.43 O ATOM 1103 CB PHE A 68 0.138 -11.178 -6.470 1.00 25.24 C ATOM 1104 CG PHE A 68 1.504 -10.633 -6.812 1.00 71.55 C ATOM 1105 CD1 PHE A 68 1.704 -9.269 -6.973 1.00 72.31 C ATOM 1106 CD2 PHE A 68 2.588 -11.487 -6.971 1.00 41.15 C ATOM 1107 CE1 PHE A 68 2.954 -8.768 -7.285 1.00 23.12 C ATOM 1108 CE2 PHE A 68 3.840 -10.989 -7.283 1.00 53.53 C ATOM 1109 CZ PHE A 68 4.022 -9.630 -7.440 1.00 42.41 C ATOM 0 H PHE A 68 -1.390 -9.426 -7.732 1.00 44.03 H new ATOM 0 HA PHE A 68 -0.224 -12.060 -8.410 1.00 52.21 H new ATOM 0 HB2 PHE A 68 -0.366 -10.477 -5.805 1.00 25.24 H new ATOM 0 HB3 PHE A 68 0.258 -12.111 -5.918 1.00 25.24 H new ATOM 0 HD1 PHE A 68 0.872 -8.590 -6.853 1.00 72.31 H new ATOM 0 HD2 PHE A 68 2.452 -12.551 -6.850 1.00 41.15 H new ATOM 0 HE1 PHE A 68 3.095 -7.704 -7.407 1.00 23.12 H new ATOM 0 HE2 PHE A 68 4.675 -11.663 -7.404 1.00 53.53 H new ATOM 0 HZ PHE A 68 4.999 -9.241 -7.684 1.00 42.41 H new ATOM 1119 N ASN A 69 -3.192 -11.586 -7.539 1.00 62.43 N ATOM 1120 CA ASN A 69 -4.499 -12.140 -7.139 1.00 35.41 C ATOM 1121 C ASN A 69 -4.634 -12.258 -5.610 1.00 54.12 C ATOM 1122 O ASN A 69 -5.465 -13.015 -5.105 1.00 0.12 O ATOM 1123 CB ASN A 69 -4.742 -13.500 -7.808 1.00 22.50 C ATOM 1124 CG ASN A 69 -4.793 -13.387 -9.321 1.00 31.41 C ATOM 1125 OD1 ASN A 69 -5.842 -13.130 -9.899 1.00 42.44 O ATOM 1126 ND2 ASN A 69 -3.664 -13.580 -9.976 1.00 71.43 N ATOM 0 H ASN A 69 -3.259 -10.707 -8.053 1.00 62.43 H new ATOM 0 HA ASN A 69 -5.262 -11.440 -7.480 1.00 35.41 H new ATOM 0 HB2 ASN A 69 -3.949 -14.192 -7.522 1.00 22.50 H new ATOM 0 HB3 ASN A 69 -5.679 -13.921 -7.444 1.00 22.50 H new ATOM 0 HD21 ASN A 69 -3.648 -13.517 -10.994 1.00 71.43 H new ATOM 0 HD22 ASN A 69 -2.808 -13.792 -9.464 1.00 71.43 H new ATOM 1133 N ILE A 70 -3.834 -11.484 -4.882 1.00 14.33 N ATOM 1134 CA ILE A 70 -3.873 -11.484 -3.419 1.00 15.25 C ATOM 1135 C ILE A 70 -4.928 -10.495 -2.889 1.00 4.03 C ATOM 1136 O ILE A 70 -5.552 -9.758 -3.658 1.00 65.22 O ATOM 1137 CB ILE A 70 -2.486 -11.133 -2.813 1.00 53.35 C ATOM 1138 CG1 ILE A 70 -2.004 -9.758 -3.314 1.00 24.15 C ATOM 1139 CG2 ILE A 70 -1.468 -12.223 -3.149 1.00 33.24 C ATOM 1140 CD1 ILE A 70 -0.678 -9.315 -2.723 1.00 64.30 C ATOM 0 H ILE A 70 -3.147 -10.845 -5.282 1.00 14.33 H new ATOM 0 HA ILE A 70 -4.145 -12.493 -3.110 1.00 15.25 H new ATOM 0 HB ILE A 70 -2.586 -11.079 -1.729 1.00 53.35 H new ATOM 0 HG12 ILE A 70 -1.913 -9.790 -4.400 1.00 24.15 H new ATOM 0 HG13 ILE A 70 -2.762 -9.011 -3.079 1.00 24.15 H new ATOM 0 HG21 ILE A 70 -0.501 -11.963 -2.718 1.00 33.24 H new ATOM 0 HG22 ILE A 70 -1.805 -13.175 -2.738 1.00 33.24 H new ATOM 0 HG23 ILE A 70 -1.371 -12.309 -4.231 1.00 33.24 H new ATOM 0 HD11 ILE A 70 -0.408 -8.339 -3.125 1.00 64.30 H new ATOM 0 HD12 ILE A 70 -0.767 -9.249 -1.639 1.00 64.30 H new ATOM 0 HD13 ILE A 70 0.095 -10.039 -2.980 1.00 64.30 H new ATOM 1152 N THR A 71 -5.121 -10.478 -1.575 1.00 22.51 N ATOM 1153 CA THR A 71 -6.128 -9.611 -0.949 1.00 62.44 C ATOM 1154 C THR A 71 -5.515 -8.276 -0.502 1.00 42.51 C ATOM 1155 O THR A 71 -4.357 -8.222 -0.093 1.00 23.43 O ATOM 1156 CB THR A 71 -6.773 -10.296 0.282 1.00 43.20 C ATOM 1157 OG1 THR A 71 -7.219 -11.616 -0.058 1.00 73.11 O ATOM 1158 CG2 THR A 71 -7.954 -9.487 0.811 1.00 14.34 C ATOM 0 H THR A 71 -4.596 -11.053 -0.917 1.00 22.51 H new ATOM 0 HA THR A 71 -6.893 -9.425 -1.703 1.00 62.44 H new ATOM 0 HB THR A 71 -6.013 -10.355 1.061 1.00 43.20 H new ATOM 0 HG1 THR A 71 -7.623 -12.038 0.729 1.00 73.11 H new ATOM 0 HG21 THR A 71 -8.385 -9.994 1.674 1.00 14.34 H new ATOM 0 HG22 THR A 71 -7.612 -8.495 1.106 1.00 14.34 H new ATOM 0 HG23 THR A 71 -8.710 -9.394 0.031 1.00 14.34 H new ATOM 1166 N VAL A 72 -6.297 -7.201 -0.573 1.00 3.21 N ATOM 1167 CA VAL A 72 -5.836 -5.881 -0.129 1.00 14.41 C ATOM 1168 C VAL A 72 -6.925 -5.141 0.665 1.00 33.13 C ATOM 1169 O VAL A 72 -8.108 -5.197 0.328 1.00 12.22 O ATOM 1170 CB VAL A 72 -5.388 -5.002 -1.329 1.00 32.35 C ATOM 1171 CG1 VAL A 72 -6.554 -4.737 -2.286 1.00 33.12 C ATOM 1172 CG2 VAL A 72 -4.770 -3.689 -0.845 1.00 5.22 C ATOM 0 H VAL A 72 -7.251 -7.214 -0.932 1.00 3.21 H new ATOM 0 HA VAL A 72 -4.979 -6.053 0.523 1.00 14.41 H new ATOM 0 HB VAL A 72 -4.624 -5.553 -1.878 1.00 32.35 H new ATOM 0 HG11 VAL A 72 -6.210 -4.119 -3.116 1.00 33.12 H new ATOM 0 HG12 VAL A 72 -6.931 -5.684 -2.671 1.00 33.12 H new ATOM 0 HG13 VAL A 72 -7.351 -4.218 -1.753 1.00 33.12 H new ATOM 0 HG21 VAL A 72 -4.465 -3.092 -1.704 1.00 5.22 H new ATOM 0 HG22 VAL A 72 -5.504 -3.135 -0.261 1.00 5.22 H new ATOM 0 HG23 VAL A 72 -3.900 -3.903 -0.225 1.00 5.22 H new ATOM 1182 N THR A 73 -6.513 -4.467 1.733 1.00 71.14 N ATOM 1183 CA THR A 73 -7.414 -3.612 2.514 1.00 45.35 C ATOM 1184 C THR A 73 -6.757 -2.255 2.774 1.00 54.50 C ATOM 1185 O THR A 73 -5.544 -2.172 2.976 1.00 35.30 O ATOM 1186 CB THR A 73 -7.805 -4.245 3.877 1.00 1.31 C ATOM 1187 OG1 THR A 73 -6.637 -4.460 4.688 1.00 72.32 O ATOM 1188 CG2 THR A 73 -8.543 -5.568 3.688 1.00 13.33 C ATOM 0 H THR A 73 -5.555 -4.494 2.083 1.00 71.14 H new ATOM 0 HA THR A 73 -8.322 -3.493 1.923 1.00 45.35 H new ATOM 0 HB THR A 73 -8.472 -3.545 4.380 1.00 1.31 H new ATOM 0 HG1 THR A 73 -6.782 -5.233 5.273 1.00 72.32 H new ATOM 0 HG21 THR A 73 -8.801 -5.983 4.662 1.00 13.33 H new ATOM 0 HG22 THR A 73 -9.453 -5.398 3.113 1.00 13.33 H new ATOM 0 HG23 THR A 73 -7.902 -6.269 3.154 1.00 13.33 H new ATOM 1196 N TYR A 74 -7.549 -1.188 2.753 1.00 51.33 N ATOM 1197 CA TYR A 74 -7.016 0.159 2.981 1.00 60.11 C ATOM 1198 C TYR A 74 -8.036 1.068 3.685 1.00 74.12 C ATOM 1199 O TYR A 74 -9.215 1.113 3.317 1.00 2.02 O ATOM 1200 CB TYR A 74 -6.553 0.789 1.654 1.00 43.24 C ATOM 1201 CG TYR A 74 -7.621 0.832 0.573 1.00 12.32 C ATOM 1202 CD1 TYR A 74 -7.842 -0.263 -0.261 1.00 52.31 C ATOM 1203 CD2 TYR A 74 -8.412 1.964 0.386 1.00 21.14 C ATOM 1204 CE1 TYR A 74 -8.814 -0.230 -1.244 1.00 23.22 C ATOM 1205 CE2 TYR A 74 -9.384 2.001 -0.595 1.00 51.44 C ATOM 1206 CZ TYR A 74 -9.582 0.904 -1.406 1.00 35.43 C ATOM 1207 OH TYR A 74 -10.553 0.945 -2.384 1.00 63.43 O ATOM 0 H TYR A 74 -8.554 -1.224 2.582 1.00 51.33 H new ATOM 0 HA TYR A 74 -6.156 0.062 3.643 1.00 60.11 H new ATOM 0 HB2 TYR A 74 -6.209 1.805 1.849 1.00 43.24 H new ATOM 0 HB3 TYR A 74 -5.696 0.229 1.279 1.00 43.24 H new ATOM 0 HD1 TYR A 74 -7.243 -1.153 -0.137 1.00 52.31 H new ATOM 0 HD2 TYR A 74 -8.263 2.827 1.018 1.00 21.14 H new ATOM 0 HE1 TYR A 74 -8.971 -1.088 -1.881 1.00 23.22 H new ATOM 0 HE2 TYR A 74 -9.987 2.887 -0.726 1.00 51.44 H new ATOM 0 HH TYR A 74 -11.003 1.816 -2.362 1.00 63.43 H new ATOM 1217 N THR A 75 -7.569 1.790 4.702 1.00 12.15 N ATOM 1218 CA THR A 75 -8.411 2.736 5.447 1.00 60.41 C ATOM 1219 C THR A 75 -7.833 4.153 5.375 1.00 21.30 C ATOM 1220 O THR A 75 -6.616 4.341 5.347 1.00 60.40 O ATOM 1221 CB THR A 75 -8.569 2.332 6.936 1.00 32.24 C ATOM 1222 OG1 THR A 75 -7.300 2.371 7.611 1.00 71.34 O ATOM 1223 CG2 THR A 75 -9.170 0.934 7.066 1.00 41.31 C ATOM 0 H THR A 75 -6.606 1.740 5.034 1.00 12.15 H new ATOM 0 HA THR A 75 -9.394 2.712 4.977 1.00 60.41 H new ATOM 0 HB THR A 75 -9.245 3.050 7.400 1.00 32.24 H new ATOM 0 HG1 THR A 75 -6.760 1.601 7.336 1.00 71.34 H new ATOM 0 HG21 THR A 75 -9.269 0.677 8.121 1.00 41.31 H new ATOM 0 HG22 THR A 75 -10.152 0.915 6.594 1.00 41.31 H new ATOM 0 HG23 THR A 75 -8.518 0.211 6.576 1.00 41.31 H new ATOM 1231 N ILE A 76 -8.707 5.150 5.329 1.00 42.34 N ATOM 1232 CA ILE A 76 -8.281 6.549 5.213 1.00 75.54 C ATOM 1233 C ILE A 76 -8.710 7.357 6.445 1.00 3.53 C ATOM 1234 O ILE A 76 -9.772 7.107 7.020 1.00 42.41 O ATOM 1235 CB ILE A 76 -8.878 7.213 3.941 1.00 53.21 C ATOM 1236 CG1 ILE A 76 -8.576 6.369 2.690 1.00 11.20 C ATOM 1237 CG2 ILE A 76 -8.343 8.637 3.771 1.00 15.22 C ATOM 1238 CD1 ILE A 76 -7.099 6.183 2.407 1.00 33.40 C ATOM 0 H ILE A 76 -9.718 5.021 5.370 1.00 42.34 H new ATOM 0 HA ILE A 76 -7.193 6.549 5.141 1.00 75.54 H new ATOM 0 HB ILE A 76 -9.960 7.266 4.064 1.00 53.21 H new ATOM 0 HG12 ILE A 76 -9.038 5.389 2.807 1.00 11.20 H new ATOM 0 HG13 ILE A 76 -9.043 6.841 1.826 1.00 11.20 H new ATOM 0 HG21 ILE A 76 -8.774 9.083 2.875 1.00 15.22 H new ATOM 0 HG22 ILE A 76 -8.616 9.235 4.641 1.00 15.22 H new ATOM 0 HG23 ILE A 76 -7.257 8.609 3.676 1.00 15.22 H new ATOM 0 HD11 ILE A 76 -6.974 5.577 1.510 1.00 33.40 H new ATOM 0 HD12 ILE A 76 -6.632 7.156 2.256 1.00 33.40 H new ATOM 0 HD13 ILE A 76 -6.627 5.682 3.252 1.00 33.40 H new ATOM 1250 N ARG A 77 -7.884 8.316 6.860 1.00 33.35 N ATOM 1251 CA ARG A 77 -8.247 9.208 7.966 1.00 73.22 C ATOM 1252 C ARG A 77 -7.736 10.636 7.733 1.00 61.11 C ATOM 1253 O ARG A 77 -6.641 10.845 7.209 1.00 65.55 O ATOM 1254 CB ARG A 77 -7.714 8.675 9.309 1.00 25.55 C ATOM 1255 CG ARG A 77 -6.195 8.734 9.455 1.00 45.41 C ATOM 1256 CD ARG A 77 -5.754 8.388 10.876 1.00 21.21 C ATOM 1257 NE ARG A 77 -4.322 8.606 11.077 1.00 24.12 N ATOM 1258 CZ ARG A 77 -3.778 8.978 12.207 1.00 4.52 C ATOM 1259 NH1 ARG A 77 -4.500 9.134 13.273 1.00 52.41 N ATOM 1260 NH2 ARG A 77 -2.502 9.181 12.270 1.00 64.05 N ATOM 0 H ARG A 77 -6.966 8.497 6.453 1.00 33.35 H new ATOM 0 HA ARG A 77 -9.336 9.236 8.006 1.00 73.22 H new ATOM 0 HB2 ARG A 77 -8.167 9.248 10.118 1.00 25.55 H new ATOM 0 HB3 ARG A 77 -8.038 7.641 9.430 1.00 25.55 H new ATOM 0 HG2 ARG A 77 -5.734 8.041 8.751 1.00 45.41 H new ATOM 0 HG3 ARG A 77 -5.842 9.733 9.197 1.00 45.41 H new ATOM 0 HD2 ARG A 77 -6.316 8.994 11.587 1.00 21.21 H new ATOM 0 HD3 ARG A 77 -5.994 7.346 11.086 1.00 21.21 H new ATOM 0 HE ARG A 77 -3.704 8.457 10.280 1.00 24.12 H new ATOM 0 HH11 ARG A 77 -5.505 8.966 13.237 1.00 52.41 H new ATOM 0 HH12 ARG A 77 -4.062 9.424 14.147 1.00 52.41 H new ATOM 0 HH21 ARG A 77 -1.923 9.051 11.440 1.00 64.05 H new ATOM 0 HH22 ARG A 77 -2.075 9.471 13.149 1.00 64.05 H new ATOM 1274 N LEU A 78 -8.550 11.613 8.110 1.00 52.24 N ATOM 1275 CA LEU A 78 -8.154 13.020 8.048 1.00 71.45 C ATOM 1276 C LEU A 78 -7.836 13.541 9.459 1.00 4.43 C ATOM 1277 O LEU A 78 -8.695 13.511 10.345 1.00 53.40 O ATOM 1278 CB LEU A 78 -9.279 13.853 7.414 1.00 22.21 C ATOM 1279 CG LEU A 78 -8.970 15.350 7.224 1.00 70.04 C ATOM 1280 CD1 LEU A 78 -7.771 15.543 6.295 1.00 32.42 C ATOM 1281 CD2 LEU A 78 -10.198 16.091 6.690 1.00 1.24 C ATOM 0 H LEU A 78 -9.494 11.459 8.464 1.00 52.24 H new ATOM 0 HA LEU A 78 -7.259 13.111 7.432 1.00 71.45 H new ATOM 0 HB2 LEU A 78 -9.521 13.424 6.442 1.00 22.21 H new ATOM 0 HB3 LEU A 78 -10.170 13.760 8.035 1.00 22.21 H new ATOM 0 HG LEU A 78 -8.715 15.772 8.196 1.00 70.04 H new ATOM 0 HD11 LEU A 78 -7.571 16.608 6.175 1.00 32.42 H new ATOM 0 HD12 LEU A 78 -6.896 15.055 6.724 1.00 32.42 H new ATOM 0 HD13 LEU A 78 -7.990 15.103 5.322 1.00 32.42 H new ATOM 0 HD21 LEU A 78 -9.959 17.147 6.563 1.00 1.24 H new ATOM 0 HD22 LEU A 78 -10.490 15.667 5.729 1.00 1.24 H new ATOM 0 HD23 LEU A 78 -11.021 15.988 7.397 1.00 1.24 H new ATOM 1293 N GLU A 79 -6.604 14.007 9.666 1.00 64.31 N ATOM 1294 CA GLU A 79 -6.166 14.478 10.986 1.00 44.33 C ATOM 1295 C GLU A 79 -6.972 15.706 11.439 1.00 33.01 C ATOM 1296 O GLU A 79 -6.649 16.843 11.086 1.00 72.32 O ATOM 1297 CB GLU A 79 -4.660 14.810 10.993 1.00 4.44 C ATOM 1298 CG GLU A 79 -3.752 13.688 10.481 1.00 31.23 C ATOM 1299 CD GLU A 79 -3.599 13.695 8.966 1.00 44.55 C ATOM 1300 OE1 GLU A 79 -2.716 14.420 8.452 1.00 64.54 O ATOM 1301 OE2 GLU A 79 -4.364 12.998 8.277 1.00 13.15 O ATOM 0 H GLU A 79 -5.891 14.070 8.940 1.00 64.31 H new ATOM 0 HA GLU A 79 -6.346 13.665 11.689 1.00 44.33 H new ATOM 0 HB2 GLU A 79 -4.495 15.698 10.383 1.00 4.44 H new ATOM 0 HB3 GLU A 79 -4.363 15.063 12.011 1.00 4.44 H new ATOM 0 HG2 GLU A 79 -2.769 13.785 10.941 1.00 31.23 H new ATOM 0 HG3 GLU A 79 -4.158 12.727 10.796 1.00 31.23 H new ATOM 1308 N HIS A 80 -8.035 15.466 12.204 1.00 13.04 N ATOM 1309 CA HIS A 80 -8.881 16.546 12.716 1.00 33.34 C ATOM 1310 C HIS A 80 -9.593 16.120 14.008 1.00 43.51 C ATOM 1311 O HIS A 80 -10.362 15.156 14.018 1.00 4.13 O ATOM 1312 CB HIS A 80 -9.913 16.961 11.657 1.00 64.42 C ATOM 1313 CG HIS A 80 -10.707 18.181 12.027 1.00 24.01 C ATOM 1314 ND1 HIS A 80 -10.348 19.458 11.644 1.00 52.20 N ATOM 1315 CD2 HIS A 80 -11.851 18.318 12.742 1.00 74.14 C ATOM 1316 CE1 HIS A 80 -11.229 20.319 12.106 1.00 12.34 C ATOM 1317 NE2 HIS A 80 -12.151 19.657 12.773 1.00 5.14 N ATOM 0 H HIS A 80 -8.333 14.532 12.484 1.00 13.04 H new ATOM 0 HA HIS A 80 -8.242 17.399 12.943 1.00 33.34 H new ATOM 0 HB2 HIS A 80 -9.398 17.147 10.715 1.00 64.42 H new ATOM 0 HB3 HIS A 80 -10.599 16.131 11.487 1.00 64.42 H new ATOM 0 HD2 HIS A 80 -12.419 17.523 13.201 1.00 74.14 H new ATOM 0 HE1 HIS A 80 -11.201 21.389 11.962 1.00 12.34 H new ATOM 0 HE2 HIS A 80 -12.958 20.072 13.238 1.00 5.14 H new ATOM 1326 N HIS A 81 -9.349 16.847 15.094 1.00 34.13 N ATOM 1327 CA HIS A 81 -9.955 16.515 16.386 1.00 53.42 C ATOM 1328 C HIS A 81 -11.407 17.008 16.470 1.00 10.14 C ATOM 1329 O HIS A 81 -11.666 18.187 16.727 1.00 42.24 O ATOM 1330 CB HIS A 81 -9.131 17.102 17.540 1.00 11.22 C ATOM 1331 CG HIS A 81 -9.618 16.682 18.899 1.00 13.14 C ATOM 1332 ND1 HIS A 81 -9.206 15.522 19.518 1.00 44.13 N ATOM 1333 CD2 HIS A 81 -10.480 17.275 19.762 1.00 51.12 C ATOM 1334 CE1 HIS A 81 -9.790 15.418 20.693 1.00 64.24 C ATOM 1335 NE2 HIS A 81 -10.564 16.466 20.868 1.00 10.23 N ATOM 0 H HIS A 81 -8.740 17.665 15.109 1.00 34.13 H new ATOM 0 HA HIS A 81 -9.961 15.429 16.474 1.00 53.42 H new ATOM 0 HB2 HIS A 81 -8.091 16.797 17.425 1.00 11.22 H new ATOM 0 HB3 HIS A 81 -9.153 18.190 17.475 1.00 11.22 H new ATOM 0 HD2 HIS A 81 -11.002 18.208 19.608 1.00 51.12 H new ATOM 0 HE1 HIS A 81 -9.656 14.608 21.395 1.00 64.24 H new ATOM 0 HE2 HIS A 81 -11.135 16.649 21.693 1.00 10.23 H new ATOM 1344 N HIS A 82 -12.351 16.100 16.249 1.00 52.33 N ATOM 1345 CA HIS A 82 -13.775 16.426 16.354 1.00 11.24 C ATOM 1346 C HIS A 82 -14.175 16.699 17.813 1.00 53.31 C ATOM 1347 O HIS A 82 -14.512 15.778 18.555 1.00 23.11 O ATOM 1348 CB HIS A 82 -14.626 15.283 15.780 1.00 42.10 C ATOM 1349 CG HIS A 82 -16.104 15.506 15.912 1.00 61.25 C ATOM 1350 ND1 HIS A 82 -16.822 15.149 17.033 1.00 31.54 N ATOM 1351 CD2 HIS A 82 -17.000 16.055 15.059 1.00 61.12 C ATOM 1352 CE1 HIS A 82 -18.088 15.466 16.865 1.00 50.42 C ATOM 1353 NE2 HIS A 82 -18.225 16.018 15.678 1.00 31.41 N ATOM 0 H HIS A 82 -12.159 15.131 15.996 1.00 52.33 H new ATOM 0 HA HIS A 82 -13.957 17.332 15.776 1.00 11.24 H new ATOM 0 HB2 HIS A 82 -14.380 15.153 14.726 1.00 42.10 H new ATOM 0 HB3 HIS A 82 -14.361 14.355 16.286 1.00 42.10 H new ATOM 0 HD1 HIS A 82 -16.432 14.707 17.865 1.00 31.54 H new ATOM 0 HD2 HIS A 82 -16.791 16.449 14.075 1.00 61.12 H new ATOM 0 HE1 HIS A 82 -18.880 15.301 17.580 1.00 50.42 H new ATOM 1362 N HIS A 83 -14.117 17.964 18.222 1.00 52.13 N ATOM 1363 CA HIS A 83 -14.501 18.351 19.586 1.00 22.20 C ATOM 1364 C HIS A 83 -16.030 18.295 19.775 1.00 3.54 C ATOM 1365 O HIS A 83 -16.786 18.859 18.982 1.00 31.54 O ATOM 1366 CB HIS A 83 -13.964 19.754 19.922 1.00 62.30 C ATOM 1367 CG HIS A 83 -14.500 20.850 19.049 1.00 34.21 C ATOM 1368 ND1 HIS A 83 -14.286 21.129 17.741 1.00 72.32 N flip ATOM 1369 CD2 HIS A 83 -15.359 21.825 19.505 1.00 64.24 C flip ATOM 1370 CE1 HIS A 83 -15.012 22.253 17.437 1.00 71.02 C flip ATOM 1371 NE2 HIS A 83 -15.649 22.651 18.519 1.00 71.03 N flip ATOM 0 H HIS A 83 -13.810 18.739 17.635 1.00 52.13 H new ATOM 0 HA HIS A 83 -14.054 17.634 20.275 1.00 22.20 H new ATOM 0 HB2 HIS A 83 -14.205 19.983 20.960 1.00 62.30 H new ATOM 0 HB3 HIS A 83 -12.877 19.742 19.842 1.00 62.30 H new ATOM 0 HD2 HIS A 83 -15.737 21.901 20.514 1.00 64.24 H new ATOM 0 HE1 HIS A 83 -15.054 22.732 16.470 1.00 71.02 H new ATOM 0 HE2 HIS A 83 -16.264 23.462 18.583 1.00 71.03 H new ATOM 1380 N HIS A 84 -16.471 17.605 20.824 1.00 65.05 N ATOM 1381 CA HIS A 84 -17.898 17.450 21.122 1.00 54.53 C ATOM 1382 C HIS A 84 -18.424 18.588 22.011 1.00 73.30 C ATOM 1383 O HIS A 84 -17.783 18.976 22.985 1.00 23.33 O ATOM 1384 CB HIS A 84 -18.139 16.092 21.802 1.00 70.15 C ATOM 1385 CG HIS A 84 -19.518 15.927 22.371 1.00 11.41 C ATOM 1386 ND1 HIS A 84 -20.635 15.689 21.598 1.00 73.52 N ATOM 1387 CD2 HIS A 84 -19.959 15.984 23.652 1.00 35.15 C ATOM 1388 CE1 HIS A 84 -21.696 15.603 22.377 1.00 24.10 C ATOM 1389 NE2 HIS A 84 -21.314 15.780 23.623 1.00 32.22 N ATOM 0 H HIS A 84 -15.855 17.139 21.490 1.00 65.05 H new ATOM 0 HA HIS A 84 -18.445 17.493 20.180 1.00 54.53 H new ATOM 0 HB2 HIS A 84 -17.959 15.298 21.077 1.00 70.15 H new ATOM 0 HB3 HIS A 84 -17.410 15.964 22.602 1.00 70.15 H new ATOM 0 HD2 HIS A 84 -19.355 16.158 24.531 1.00 35.15 H new ATOM 0 HE1 HIS A 84 -22.708 15.418 22.047 1.00 24.10 H new ATOM 0 HE2 HIS A 84 -21.928 15.767 24.437 1.00 32.22 H new ATOM 1398 N HIS A 85 -19.602 19.109 21.676 1.00 20.25 N ATOM 1399 CA HIS A 85 -20.256 20.142 22.494 1.00 64.20 C ATOM 1400 C HIS A 85 -21.480 19.570 23.240 1.00 44.42 C ATOM 1401 O HIS A 85 -22.468 19.191 22.575 1.00 38.74 O ATOM 1402 CB HIS A 85 -20.644 21.363 21.633 1.00 13.14 C ATOM 1403 CG HIS A 85 -21.495 21.053 20.436 1.00 31.55 C ATOM 1404 ND1 HIS A 85 -20.972 20.632 19.233 1.00 5.44 N ATOM 1405 CD2 HIS A 85 -22.836 21.130 20.248 1.00 23.42 C ATOM 1406 CE1 HIS A 85 -21.946 20.464 18.363 1.00 24.11 C ATOM 1407 NE2 HIS A 85 -23.086 20.758 18.950 1.00 74.42 N ATOM 1408 OXT HIS A 85 -21.436 19.483 24.486 1.00 38.74 O ATOM 0 H HIS A 85 -20.127 18.837 20.845 1.00 20.25 H new ATOM 0 HA HIS A 85 -19.541 20.478 23.245 1.00 64.20 H new ATOM 0 HB2 HIS A 85 -21.175 22.078 22.262 1.00 13.14 H new ATOM 0 HB3 HIS A 85 -19.732 21.854 21.294 1.00 13.14 H new ATOM 0 HD2 HIS A 85 -23.570 21.428 20.982 1.00 23.42 H new ATOM 0 HE1 HIS A 85 -21.829 20.139 17.340 1.00 24.11 H new ATOM 0 HE2 HIS A 85 -24.006 20.716 18.512 1.00 74.42 H new TER 1417 HIS A 85