USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=17 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 -116:sc= -0.969 (180deg=-3.02!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 MET CE :methyl -149:sc= -0.601 (180deg=-2.56!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -166:sc= -0.0238 (180deg=-0.245) USER MOD Single : A 22 MET CE :methyl -164:sc= -0.43 (180deg=-1.07) USER MOD Single : A 25 GLN : amide:sc= -0.0317 X(o=-0.032,f=-0.51) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 19:sc= -1.67! USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= -1.49! USER MOD Single : A 40 ASN :FLIP amide:sc= 0 F(o=-0.91,f=0) USER MOD Single : A 47 THR OG1 : rot -92:sc= 0.779 USER MOD Single : A 52 GLN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 55 LYS NZ :NH3+ -126:sc= 0.884 (180deg=0.079) USER MOD Single : A 59 LYS NZ :NH3+ 169:sc= -0.0161 (180deg=-0.162) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -0.0553 X(o=-0.055,f=0) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 26:sc= 0.425 USER MOD Single : A 74 TYR OH : rot -149:sc= 0.468 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HE2:sc= 0.56 K(o=0.56,f=-3.1!) USER MOD Single : A 81 HIS : no HD1:sc= -0.0143 X(o=-0.014,f=0) USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 83 HIS : no HD1:sc= -0.0184 X(o=-0.018,f=-0.018) 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 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.866 14.660 5.577 1.00 74.25 N ATOM 2 CA MET A 1 -2.919 13.609 5.546 1.00 23.13 C ATOM 3 C MET A 1 -2.284 12.212 5.525 1.00 34.01 C ATOM 4 O MET A 1 -1.329 11.967 4.786 1.00 61.42 O ATOM 5 CB MET A 1 -3.827 13.805 4.322 1.00 42.11 C ATOM 6 CG MET A 1 -5.071 12.925 4.323 1.00 3.21 C ATOM 7 SD MET A 1 -6.234 13.361 3.015 1.00 62.24 S ATOM 8 CE MET A 1 -5.258 13.071 1.544 1.00 41.53 C ATOM 0 H1 MET A 1 -2.313 15.599 5.591 1.00 74.25 H new ATOM 0 H2 MET A 1 -1.282 14.542 6.430 1.00 74.25 H new ATOM 0 H3 MET A 1 -1.266 14.575 4.732 1.00 74.25 H new ATOM 0 HA MET A 1 -3.525 13.696 6.448 1.00 23.13 H new ATOM 0 HB2 MET A 1 -4.134 14.850 4.274 1.00 42.11 H new ATOM 0 HB3 MET A 1 -3.251 13.601 3.419 1.00 42.11 H new ATOM 0 HG2 MET A 1 -4.774 11.883 4.207 1.00 3.21 H new ATOM 0 HG3 MET A 1 -5.569 13.008 5.289 1.00 3.21 H new ATOM 0 HE1 MET A 1 -5.109 14.012 1.015 1.00 41.53 H new ATOM 0 HE2 MET A 1 -4.290 12.656 1.825 1.00 41.53 H new ATOM 0 HE3 MET A 1 -5.779 12.368 0.894 1.00 41.53 H new ATOM 20 N GLU A 2 -2.826 11.289 6.319 1.00 2.03 N ATOM 21 CA GLU A 2 -2.217 9.963 6.508 1.00 31.01 C ATOM 22 C GLU A 2 -3.137 8.827 6.009 1.00 70.41 C ATOM 23 O GLU A 2 -4.355 9.002 5.906 1.00 21.04 O ATOM 24 CB GLU A 2 -1.900 9.786 7.996 1.00 72.41 C ATOM 25 CG GLU A 2 -1.090 8.545 8.333 1.00 31.02 C ATOM 26 CD GLU A 2 -0.777 8.467 9.813 1.00 40.44 C ATOM 27 OE1 GLU A 2 -1.624 7.957 10.578 1.00 51.21 O ATOM 28 OE2 GLU A 2 0.299 8.943 10.229 1.00 70.03 O ATOM 0 H GLU A 2 -3.688 11.431 6.845 1.00 2.03 H new ATOM 0 HA GLU A 2 -1.303 9.906 5.916 1.00 31.01 H new ATOM 0 HB2 GLU A 2 -1.355 10.664 8.344 1.00 72.41 H new ATOM 0 HB3 GLU A 2 -2.837 9.752 8.551 1.00 72.41 H new ATOM 0 HG2 GLU A 2 -1.643 7.656 8.030 1.00 31.02 H new ATOM 0 HG3 GLU A 2 -0.160 8.551 7.764 1.00 31.02 H new ATOM 35 N MET A 3 -2.544 7.679 5.662 1.00 42.42 N ATOM 36 CA MET A 3 -3.310 6.514 5.173 1.00 71.53 C ATOM 37 C MET A 3 -2.636 5.175 5.536 1.00 42.32 C ATOM 38 O MET A 3 -1.410 5.057 5.497 1.00 3.22 O ATOM 39 CB MET A 3 -3.491 6.610 3.653 1.00 75.04 C ATOM 40 CG MET A 3 -2.185 6.722 2.874 1.00 34.34 C ATOM 41 SD MET A 3 -2.450 7.063 1.120 1.00 4.11 S ATOM 42 CE MET A 3 -3.419 5.638 0.632 1.00 65.02 C ATOM 0 H MET A 3 -1.537 7.526 5.709 1.00 42.42 H new ATOM 0 HA MET A 3 -4.282 6.534 5.666 1.00 71.53 H new ATOM 0 HB2 MET A 3 -4.033 5.730 3.307 1.00 75.04 H new ATOM 0 HB3 MET A 3 -4.112 7.477 3.426 1.00 75.04 H new ATOM 0 HG2 MET A 3 -1.575 7.515 3.306 1.00 34.34 H new ATOM 0 HG3 MET A 3 -1.623 5.794 2.979 1.00 34.34 H new ATOM 0 HE1 MET A 3 -3.209 5.394 -0.409 1.00 65.02 H new ATOM 0 HE2 MET A 3 -3.159 4.788 1.263 1.00 65.02 H new ATOM 0 HE3 MET A 3 -4.479 5.863 0.745 1.00 65.02 H new ATOM 52 N ASP A 4 -3.448 4.171 5.873 1.00 72.13 N ATOM 53 CA ASP A 4 -2.953 2.818 6.176 1.00 33.03 C ATOM 54 C ASP A 4 -3.403 1.798 5.108 1.00 52.21 C ATOM 55 O ASP A 4 -4.595 1.575 4.923 1.00 22.31 O ATOM 56 CB ASP A 4 -3.463 2.366 7.550 1.00 5.01 C ATOM 57 CG ASP A 4 -2.806 3.104 8.704 1.00 51.52 C ATOM 58 OD1 ASP A 4 -3.270 4.209 9.054 1.00 3.04 O ATOM 59 OD2 ASP A 4 -1.830 2.566 9.271 1.00 51.43 O ATOM 0 H ASP A 4 -4.461 4.267 5.945 1.00 72.13 H new ATOM 0 HA ASP A 4 -1.864 2.859 6.178 1.00 33.03 H new ATOM 0 HB2 ASP A 4 -4.541 2.517 7.598 1.00 5.01 H new ATOM 0 HB3 ASP A 4 -3.285 1.297 7.663 1.00 5.01 H new ATOM 64 N ILE A 5 -2.447 1.182 4.418 1.00 52.22 N ATOM 65 CA ILE A 5 -2.745 0.126 3.438 1.00 31.13 C ATOM 66 C ILE A 5 -2.144 -1.219 3.882 1.00 71.01 C ATOM 67 O ILE A 5 -0.924 -1.365 3.961 1.00 15.24 O ATOM 68 CB ILE A 5 -2.192 0.478 2.030 1.00 62.20 C ATOM 69 CG1 ILE A 5 -2.770 1.816 1.534 1.00 22.54 C ATOM 70 CG2 ILE A 5 -2.501 -0.642 1.034 1.00 42.24 C ATOM 71 CD1 ILE A 5 -2.272 2.224 0.162 1.00 22.53 C ATOM 0 H ILE A 5 -1.454 1.393 4.516 1.00 52.22 H new ATOM 0 HA ILE A 5 -3.831 0.046 3.383 1.00 31.13 H new ATOM 0 HB ILE A 5 -1.110 0.582 2.107 1.00 62.20 H new ATOM 0 HG12 ILE A 5 -3.857 1.745 1.510 1.00 22.54 H new ATOM 0 HG13 ILE A 5 -2.518 2.598 2.250 1.00 22.54 H new ATOM 0 HG21 ILE A 5 -2.106 -0.376 0.054 1.00 42.24 H new ATOM 0 HG22 ILE A 5 -2.038 -1.569 1.373 1.00 42.24 H new ATOM 0 HG23 ILE A 5 -3.580 -0.780 0.965 1.00 42.24 H new ATOM 0 HD11 ILE A 5 -2.722 3.176 -0.120 1.00 22.53 H new ATOM 0 HD12 ILE A 5 -1.187 2.328 0.185 1.00 22.53 H new ATOM 0 HD13 ILE A 5 -2.548 1.462 -0.567 1.00 22.53 H new ATOM 83 N ARG A 6 -2.995 -2.200 4.181 1.00 70.45 N ATOM 84 CA ARG A 6 -2.520 -3.525 4.605 1.00 3.12 C ATOM 85 C ARG A 6 -2.760 -4.592 3.522 1.00 63.43 C ATOM 86 O ARG A 6 -3.895 -4.819 3.096 1.00 1.13 O ATOM 87 CB ARG A 6 -3.193 -3.961 5.924 1.00 73.13 C ATOM 88 CG ARG A 6 -2.790 -3.133 7.148 1.00 13.54 C ATOM 89 CD ARG A 6 -3.458 -1.763 7.168 1.00 43.15 C ATOM 90 NE ARG A 6 -2.962 -0.923 8.253 1.00 41.30 N ATOM 91 CZ ARG A 6 -3.653 -0.598 9.311 1.00 75.04 C ATOM 92 NH1 ARG A 6 -4.828 -1.102 9.523 1.00 33.35 N ATOM 93 NH2 ARG A 6 -3.163 0.237 10.166 1.00 52.41 N ATOM 0 H ARG A 6 -4.010 -2.108 4.139 1.00 70.45 H new ATOM 0 HA ARG A 6 -1.446 -3.438 4.767 1.00 3.12 H new ATOM 0 HB2 ARG A 6 -4.275 -3.902 5.802 1.00 73.13 H new ATOM 0 HB3 ARG A 6 -2.950 -5.007 6.113 1.00 73.13 H new ATOM 0 HG2 ARG A 6 -3.055 -3.677 8.055 1.00 13.54 H new ATOM 0 HG3 ARG A 6 -1.707 -3.007 7.157 1.00 13.54 H new ATOM 0 HD2 ARG A 6 -3.285 -1.263 6.215 1.00 43.15 H new ATOM 0 HD3 ARG A 6 -4.536 -1.888 7.271 1.00 43.15 H new ATOM 0 HE ARG A 6 -2.010 -0.565 8.179 1.00 41.30 H new ATOM 0 HH11 ARG A 6 -5.227 -1.764 8.857 1.00 33.35 H new ATOM 0 HH12 ARG A 6 -5.354 -0.837 10.356 1.00 33.35 H new ATOM 0 HH21 ARG A 6 -2.239 0.640 10.013 1.00 52.41 H new ATOM 0 HH22 ARG A 6 -3.700 0.493 10.994 1.00 52.41 H new ATOM 107 N PHE A 7 -1.680 -5.235 3.078 1.00 71.35 N ATOM 108 CA PHE A 7 -1.768 -6.359 2.136 1.00 52.24 C ATOM 109 C PHE A 7 -1.785 -7.704 2.885 1.00 33.01 C ATOM 110 O PHE A 7 -1.206 -7.836 3.965 1.00 13.13 O ATOM 111 CB PHE A 7 -0.591 -6.336 1.148 1.00 60.12 C ATOM 112 CG PHE A 7 -0.617 -5.182 0.167 1.00 73.54 C ATOM 113 CD1 PHE A 7 -0.086 -3.945 0.506 1.00 44.33 C ATOM 114 CD2 PHE A 7 -1.162 -5.345 -1.101 1.00 23.33 C ATOM 115 CE1 PHE A 7 -0.102 -2.896 -0.397 1.00 4.32 C ATOM 116 CE2 PHE A 7 -1.179 -4.300 -2.006 1.00 22.44 C ATOM 117 CZ PHE A 7 -0.650 -3.074 -1.653 1.00 31.20 C ATOM 0 H PHE A 7 -0.728 -4.998 3.355 1.00 71.35 H new ATOM 0 HA PHE A 7 -2.700 -6.252 1.581 1.00 52.24 H new ATOM 0 HB2 PHE A 7 0.340 -6.295 1.713 1.00 60.12 H new ATOM 0 HB3 PHE A 7 -0.584 -7.272 0.589 1.00 60.12 H new ATOM 0 HD1 PHE A 7 0.345 -3.799 1.486 1.00 44.33 H new ATOM 0 HD2 PHE A 7 -1.578 -6.301 -1.383 1.00 23.33 H new ATOM 0 HE1 PHE A 7 0.314 -1.939 -0.120 1.00 4.32 H new ATOM 0 HE2 PHE A 7 -1.605 -4.442 -2.988 1.00 22.44 H new ATOM 0 HZ PHE A 7 -0.665 -2.256 -2.358 1.00 31.20 H new ATOM 127 N ARG A 8 -2.444 -8.695 2.298 1.00 34.21 N ATOM 128 CA ARG A 8 -2.572 -10.026 2.904 1.00 51.20 C ATOM 129 C ARG A 8 -2.489 -11.129 1.830 1.00 65.12 C ATOM 130 O ARG A 8 -3.305 -11.168 0.912 1.00 11.10 O ATOM 131 CB ARG A 8 -3.911 -10.116 3.659 1.00 1.45 C ATOM 132 CG ARG A 8 -4.234 -11.497 4.229 1.00 13.21 C ATOM 133 CD ARG A 8 -3.316 -11.892 5.385 1.00 40.43 C ATOM 134 NE ARG A 8 -3.620 -13.242 5.859 1.00 11.42 N ATOM 135 CZ ARG A 8 -3.304 -13.716 7.033 1.00 40.41 C ATOM 136 NH1 ARG A 8 -2.673 -12.997 7.903 1.00 34.14 N ATOM 137 NH2 ARG A 8 -3.634 -14.929 7.336 1.00 51.25 N ATOM 0 H ARG A 8 -2.905 -8.606 1.393 1.00 34.21 H new ATOM 0 HA ARG A 8 -1.749 -10.176 3.603 1.00 51.20 H new ATOM 0 HB2 ARG A 8 -3.900 -9.395 4.476 1.00 1.45 H new ATOM 0 HB3 ARG A 8 -4.714 -9.821 2.983 1.00 1.45 H new ATOM 0 HG2 ARG A 8 -5.268 -11.510 4.572 1.00 13.21 H new ATOM 0 HG3 ARG A 8 -4.152 -12.240 3.436 1.00 13.21 H new ATOM 0 HD2 ARG A 8 -2.276 -11.842 5.062 1.00 40.43 H new ATOM 0 HD3 ARG A 8 -3.430 -11.181 6.204 1.00 40.43 H new ATOM 0 HE ARG A 8 -4.119 -13.862 5.221 1.00 11.42 H new ATOM 0 HH11 ARG A 8 -2.411 -12.037 7.678 1.00 34.14 H new ATOM 0 HH12 ARG A 8 -2.437 -13.390 8.814 1.00 34.14 H new ATOM 0 HH21 ARG A 8 -4.136 -15.505 6.660 1.00 51.25 H new ATOM 0 HH22 ARG A 8 -3.392 -15.310 8.251 1.00 51.25 H new ATOM 151 N GLY A 9 -1.509 -12.025 1.954 1.00 22.32 N ATOM 152 CA GLY A 9 -1.356 -13.114 0.986 1.00 42.20 C ATOM 153 C GLY A 9 -0.200 -14.052 1.318 1.00 44.01 C ATOM 154 O GLY A 9 0.489 -13.865 2.320 1.00 71.13 O ATOM 0 H GLY A 9 -0.818 -12.020 2.704 1.00 22.32 H new ATOM 0 HA2 GLY A 9 -2.282 -13.688 0.945 1.00 42.20 H new ATOM 0 HA3 GLY A 9 -1.199 -12.691 -0.006 1.00 42.20 H new ATOM 158 N ASP A 10 0.019 -15.064 0.481 1.00 42.12 N ATOM 159 CA ASP A 10 1.087 -16.049 0.718 1.00 61.33 C ATOM 160 C ASP A 10 2.262 -15.894 -0.267 1.00 23.32 C ATOM 161 O ASP A 10 3.356 -16.410 -0.020 1.00 30.33 O ATOM 162 CB ASP A 10 0.517 -17.471 0.653 1.00 33.32 C ATOM 163 CG ASP A 10 -0.183 -17.765 -0.664 1.00 23.32 C ATOM 164 OD1 ASP A 10 -1.390 -17.471 -0.772 1.00 10.41 O ATOM 165 OD2 ASP A 10 0.466 -18.302 -1.587 1.00 42.12 O ATOM 0 H ASP A 10 -0.524 -15.228 -0.367 1.00 42.12 H new ATOM 0 HA ASP A 10 1.484 -15.862 1.716 1.00 61.33 H new ATOM 0 HB2 ASP A 10 1.325 -18.188 0.798 1.00 33.32 H new ATOM 0 HB3 ASP A 10 -0.187 -17.613 1.473 1.00 33.32 H new ATOM 170 N ASP A 11 2.041 -15.193 -1.379 1.00 12.34 N ATOM 171 CA ASP A 11 3.097 -14.982 -2.377 1.00 71.01 C ATOM 172 C ASP A 11 4.140 -13.966 -1.868 1.00 22.02 C ATOM 173 O ASP A 11 3.858 -12.772 -1.748 1.00 41.05 O ATOM 174 CB ASP A 11 2.491 -14.514 -3.707 1.00 62.13 C ATOM 175 CG ASP A 11 3.487 -14.584 -4.856 1.00 1.14 C ATOM 176 OD1 ASP A 11 4.331 -13.675 -4.979 1.00 61.24 O ATOM 177 OD2 ASP A 11 3.433 -15.558 -5.639 1.00 45.04 O ATOM 0 H ASP A 11 1.146 -14.763 -1.613 1.00 12.34 H new ATOM 0 HA ASP A 11 3.605 -15.932 -2.543 1.00 71.01 H new ATOM 0 HB2 ASP A 11 1.623 -15.130 -3.944 1.00 62.13 H new ATOM 0 HB3 ASP A 11 2.135 -13.489 -3.600 1.00 62.13 H new ATOM 182 N LEU A 12 5.345 -14.455 -1.573 1.00 11.21 N ATOM 183 CA LEU A 12 6.408 -13.626 -0.988 1.00 62.44 C ATOM 184 C LEU A 12 6.830 -12.476 -1.921 1.00 52.22 C ATOM 185 O LEU A 12 7.046 -11.348 -1.471 1.00 65.31 O ATOM 186 CB LEU A 12 7.626 -14.498 -0.647 1.00 13.32 C ATOM 187 CG LEU A 12 8.780 -13.773 0.069 1.00 1.05 C ATOM 188 CD1 LEU A 12 8.324 -13.222 1.419 1.00 15.12 C ATOM 189 CD2 LEU A 12 9.978 -14.705 0.245 1.00 63.34 C ATOM 0 H LEU A 12 5.614 -15.426 -1.730 1.00 11.21 H new ATOM 0 HA LEU A 12 6.008 -13.178 -0.078 1.00 62.44 H new ATOM 0 HB2 LEU A 12 7.295 -15.325 -0.019 1.00 13.32 H new ATOM 0 HB3 LEU A 12 8.010 -14.932 -1.570 1.00 13.32 H new ATOM 0 HG LEU A 12 9.088 -12.933 -0.554 1.00 1.05 H new ATOM 0 HD11 LEU A 12 9.157 -12.714 1.905 1.00 15.12 H new ATOM 0 HD12 LEU A 12 7.508 -12.516 1.267 1.00 15.12 H new ATOM 0 HD13 LEU A 12 7.981 -14.042 2.050 1.00 15.12 H new ATOM 0 HD21 LEU A 12 10.782 -14.172 0.753 1.00 63.34 H new ATOM 0 HD22 LEU A 12 9.682 -15.569 0.840 1.00 63.34 H new ATOM 0 HD23 LEU A 12 10.325 -15.039 -0.732 1.00 63.34 H new ATOM 201 N GLU A 13 6.948 -12.762 -3.217 1.00 52.33 N ATOM 202 CA GLU A 13 7.357 -11.745 -4.197 1.00 61.10 C ATOM 203 C GLU A 13 6.299 -10.643 -4.339 1.00 15.55 C ATOM 204 O GLU A 13 6.634 -9.475 -4.538 1.00 24.35 O ATOM 205 CB GLU A 13 7.625 -12.388 -5.565 1.00 50.35 C ATOM 206 CG GLU A 13 8.905 -13.221 -5.635 1.00 54.34 C ATOM 207 CD GLU A 13 8.936 -14.363 -4.633 1.00 12.54 C ATOM 208 OE1 GLU A 13 8.112 -15.294 -4.760 1.00 54.33 O ATOM 209 OE2 GLU A 13 9.790 -14.339 -3.720 1.00 50.31 O ATOM 0 H GLU A 13 6.768 -13.683 -3.616 1.00 52.33 H new ATOM 0 HA GLU A 13 8.277 -11.290 -3.829 1.00 61.10 H new ATOM 0 HB2 GLU A 13 6.779 -13.023 -5.826 1.00 50.35 H new ATOM 0 HB3 GLU A 13 7.677 -11.602 -6.318 1.00 50.35 H new ATOM 0 HG2 GLU A 13 9.011 -13.627 -6.641 1.00 54.34 H new ATOM 0 HG3 GLU A 13 9.763 -12.571 -5.461 1.00 54.34 H new ATOM 216 N ALA A 14 5.028 -11.023 -4.228 1.00 33.10 N ATOM 217 CA ALA A 14 3.913 -10.073 -4.327 1.00 2.41 C ATOM 218 C ALA A 14 4.068 -8.911 -3.336 1.00 52.40 C ATOM 219 O ALA A 14 3.836 -7.751 -3.687 1.00 73.23 O ATOM 220 CB ALA A 14 2.590 -10.793 -4.094 1.00 65.31 C ATOM 0 H ALA A 14 4.739 -11.988 -4.068 1.00 33.10 H new ATOM 0 HA ALA A 14 3.922 -9.652 -5.332 1.00 2.41 H new ATOM 0 HB1 ALA A 14 1.769 -10.080 -4.170 1.00 65.31 H new ATOM 0 HB2 ALA A 14 2.463 -11.573 -4.845 1.00 65.31 H new ATOM 0 HB3 ALA A 14 2.590 -11.242 -3.101 1.00 65.31 H new ATOM 226 N PHE A 15 4.474 -9.225 -2.104 1.00 5.33 N ATOM 227 CA PHE A 15 4.708 -8.199 -1.082 1.00 32.35 C ATOM 228 C PHE A 15 5.723 -7.151 -1.562 1.00 44.31 C ATOM 229 O PHE A 15 5.455 -5.949 -1.511 1.00 35.41 O ATOM 230 CB PHE A 15 5.202 -8.835 0.223 1.00 72.42 C ATOM 231 CG PHE A 15 4.189 -9.729 0.890 1.00 22.22 C ATOM 232 CD1 PHE A 15 3.047 -9.190 1.469 1.00 53.35 C ATOM 233 CD2 PHE A 15 4.379 -11.104 0.946 1.00 21.11 C ATOM 234 CE1 PHE A 15 2.118 -10.004 2.088 1.00 45.54 C ATOM 235 CE2 PHE A 15 3.451 -11.919 1.565 1.00 63.10 C ATOM 236 CZ PHE A 15 2.321 -11.369 2.135 1.00 74.33 C ATOM 0 H PHE A 15 4.648 -10.179 -1.789 1.00 5.33 H new ATOM 0 HA PHE A 15 3.756 -7.700 -0.899 1.00 32.35 H new ATOM 0 HB2 PHE A 15 6.102 -9.414 0.015 1.00 72.42 H new ATOM 0 HB3 PHE A 15 5.486 -8.043 0.917 1.00 72.42 H new ATOM 0 HD1 PHE A 15 2.884 -8.123 1.435 1.00 53.35 H new ATOM 0 HD2 PHE A 15 5.261 -11.540 0.501 1.00 21.11 H new ATOM 0 HE1 PHE A 15 1.234 -9.573 2.535 1.00 45.54 H new ATOM 0 HE2 PHE A 15 3.610 -12.987 1.603 1.00 63.10 H new ATOM 0 HZ PHE A 15 1.595 -12.006 2.618 1.00 74.33 H new ATOM 246 N GLU A 16 6.881 -7.611 -2.036 1.00 71.45 N ATOM 247 CA GLU A 16 7.921 -6.706 -2.531 1.00 21.34 C ATOM 248 C GLU A 16 7.458 -5.952 -3.787 1.00 24.02 C ATOM 249 O GLU A 16 7.653 -4.748 -3.902 1.00 24.41 O ATOM 250 CB GLU A 16 9.212 -7.472 -2.845 1.00 20.44 C ATOM 251 CG GLU A 16 10.376 -6.559 -3.233 1.00 70.41 C ATOM 252 CD GLU A 16 11.618 -7.321 -3.657 1.00 34.34 C ATOM 253 OE1 GLU A 16 12.187 -8.055 -2.824 1.00 42.24 O ATOM 254 OE2 GLU A 16 12.047 -7.168 -4.823 1.00 25.03 O ATOM 0 H GLU A 16 7.123 -8.601 -2.088 1.00 71.45 H new ATOM 0 HA GLU A 16 8.117 -5.982 -1.740 1.00 21.34 H new ATOM 0 HB2 GLU A 16 9.497 -8.063 -1.974 1.00 20.44 H new ATOM 0 HB3 GLU A 16 9.022 -8.173 -3.658 1.00 20.44 H new ATOM 0 HG2 GLU A 16 10.062 -5.907 -4.048 1.00 70.41 H new ATOM 0 HG3 GLU A 16 10.623 -5.916 -2.388 1.00 70.41 H new ATOM 261 N LYS A 17 6.847 -6.670 -4.728 1.00 72.12 N ATOM 262 CA LYS A 17 6.360 -6.063 -5.974 1.00 24.43 C ATOM 263 C LYS A 17 5.358 -4.928 -5.703 1.00 61.14 C ATOM 264 O LYS A 17 5.358 -3.908 -6.394 1.00 10.01 O ATOM 265 CB LYS A 17 5.710 -7.129 -6.866 1.00 44.52 C ATOM 266 CG LYS A 17 6.689 -8.152 -7.433 1.00 31.43 C ATOM 267 CD LYS A 17 7.746 -7.492 -8.316 1.00 61.11 C ATOM 268 CE LYS A 17 8.673 -8.516 -8.956 1.00 53.01 C ATOM 269 NZ LYS A 17 9.776 -7.866 -9.710 1.00 65.40 N ATOM 0 H LYS A 17 6.676 -7.673 -4.655 1.00 72.12 H new ATOM 0 HA LYS A 17 7.221 -5.635 -6.487 1.00 24.43 H new ATOM 0 HB2 LYS A 17 4.948 -7.653 -6.290 1.00 44.52 H new ATOM 0 HB3 LYS A 17 5.200 -6.634 -7.692 1.00 44.52 H new ATOM 0 HG2 LYS A 17 7.177 -8.681 -6.615 1.00 31.43 H new ATOM 0 HG3 LYS A 17 6.143 -8.896 -8.013 1.00 31.43 H new ATOM 0 HD2 LYS A 17 7.255 -6.910 -9.096 1.00 61.11 H new ATOM 0 HD3 LYS A 17 8.333 -6.794 -7.719 1.00 61.11 H new ATOM 0 HE2 LYS A 17 9.092 -9.161 -8.183 1.00 53.01 H new ATOM 0 HE3 LYS A 17 8.100 -9.155 -9.628 1.00 53.01 H new ATOM 0 HZ1 LYS A 17 10.386 -8.596 -10.131 1.00 65.40 H new ATOM 0 HZ2 LYS A 17 9.377 -7.270 -10.464 1.00 65.40 H new ATOM 0 HZ3 LYS A 17 10.338 -7.276 -9.064 1.00 65.40 H new ATOM 283 N ALA A 18 4.500 -5.118 -4.706 1.00 71.40 N ATOM 284 CA ALA A 18 3.534 -4.089 -4.308 1.00 64.11 C ATOM 285 C ALA A 18 4.223 -2.941 -3.552 1.00 73.24 C ATOM 286 O ALA A 18 4.091 -1.767 -3.907 1.00 71.11 O ATOM 287 CB ALA A 18 2.438 -4.710 -3.448 1.00 11.14 C ATOM 0 H ALA A 18 4.451 -5.975 -4.155 1.00 71.40 H new ATOM 0 HA ALA A 18 3.087 -3.672 -5.211 1.00 64.11 H new ATOM 0 HB1 ALA A 18 1.724 -3.940 -3.156 1.00 11.14 H new ATOM 0 HB2 ALA A 18 1.924 -5.484 -4.017 1.00 11.14 H new ATOM 0 HB3 ALA A 18 2.882 -5.150 -2.555 1.00 11.14 H new ATOM 293 N LEU A 19 4.966 -3.302 -2.514 1.00 31.34 N ATOM 294 CA LEU A 19 5.653 -2.334 -1.650 1.00 65.14 C ATOM 295 C LEU A 19 6.664 -1.465 -2.424 1.00 4.55 C ATOM 296 O LEU A 19 6.693 -0.245 -2.263 1.00 21.11 O ATOM 297 CB LEU A 19 6.372 -3.088 -0.522 1.00 60.41 C ATOM 298 CG LEU A 19 7.202 -2.217 0.435 1.00 51.32 C ATOM 299 CD1 LEU A 19 6.313 -1.245 1.205 1.00 1.11 C ATOM 300 CD2 LEU A 19 8.005 -3.094 1.391 1.00 34.44 C ATOM 0 H LEU A 19 5.113 -4.274 -2.242 1.00 31.34 H new ATOM 0 HA LEU A 19 4.900 -1.660 -1.241 1.00 65.14 H new ATOM 0 HB2 LEU A 19 5.627 -3.629 0.061 1.00 60.41 H new ATOM 0 HB3 LEU A 19 7.030 -3.833 -0.969 1.00 60.41 H new ATOM 0 HG LEU A 19 7.899 -1.627 -0.160 1.00 51.32 H new ATOM 0 HD11 LEU A 19 6.927 -0.642 1.874 1.00 1.11 H new ATOM 0 HD12 LEU A 19 5.793 -0.593 0.503 1.00 1.11 H new ATOM 0 HD13 LEU A 19 5.582 -1.805 1.789 1.00 1.11 H new ATOM 0 HD21 LEU A 19 8.587 -2.462 2.062 1.00 34.44 H new ATOM 0 HD22 LEU A 19 7.324 -3.713 1.975 1.00 34.44 H new ATOM 0 HD23 LEU A 19 8.678 -3.734 0.820 1.00 34.44 H new ATOM 312 N LYS A 20 7.475 -2.103 -3.263 1.00 24.31 N ATOM 313 CA LYS A 20 8.573 -1.430 -3.977 1.00 75.32 C ATOM 314 C LYS A 20 8.057 -0.272 -4.850 1.00 52.35 C ATOM 315 O LYS A 20 8.681 0.791 -4.919 1.00 52.13 O ATOM 316 CB LYS A 20 9.329 -2.449 -4.849 1.00 52.31 C ATOM 317 CG LYS A 20 10.755 -2.038 -5.211 1.00 23.34 C ATOM 318 CD LYS A 20 11.651 -1.964 -3.970 1.00 73.14 C ATOM 319 CE LYS A 20 13.113 -1.712 -4.327 1.00 0.35 C ATOM 320 NZ LYS A 20 13.693 -2.824 -5.126 1.00 71.24 N ATOM 0 H LYS A 20 7.396 -3.098 -3.472 1.00 24.31 H new ATOM 0 HA LYS A 20 9.250 -1.010 -3.233 1.00 75.32 H new ATOM 0 HB2 LYS A 20 9.362 -3.404 -4.324 1.00 52.31 H new ATOM 0 HB3 LYS A 20 8.766 -2.610 -5.768 1.00 52.31 H new ATOM 0 HG2 LYS A 20 11.172 -2.753 -5.920 1.00 23.34 H new ATOM 0 HG3 LYS A 20 10.740 -1.068 -5.708 1.00 23.34 H new ATOM 0 HD2 LYS A 20 11.297 -1.168 -3.315 1.00 73.14 H new ATOM 0 HD3 LYS A 20 11.571 -2.896 -3.411 1.00 73.14 H new ATOM 0 HE2 LYS A 20 13.193 -0.782 -4.889 1.00 0.35 H new ATOM 0 HE3 LYS A 20 13.692 -1.583 -3.413 1.00 0.35 H new ATOM 0 HZ1 LYS A 20 14.729 -2.734 -5.145 1.00 71.24 H new ATOM 0 HZ2 LYS A 20 13.433 -3.734 -4.695 1.00 71.24 H new ATOM 0 HZ3 LYS A 20 13.324 -2.783 -6.097 1.00 71.24 H new ATOM 334 N GLU A 21 6.915 -0.482 -5.507 1.00 44.24 N ATOM 335 CA GLU A 21 6.313 0.551 -6.364 1.00 11.33 C ATOM 336 C GLU A 21 5.684 1.672 -5.524 1.00 62.54 C ATOM 337 O GLU A 21 5.772 2.853 -5.875 1.00 73.23 O ATOM 338 CB GLU A 21 5.264 -0.065 -7.301 1.00 3.05 C ATOM 339 CG GLU A 21 5.804 -1.201 -8.166 1.00 62.52 C ATOM 340 CD GLU A 21 7.074 -0.828 -8.917 1.00 24.50 C ATOM 341 OE1 GLU A 21 6.985 -0.098 -9.930 1.00 5.43 O ATOM 342 OE2 GLU A 21 8.169 -1.261 -8.500 1.00 75.03 O ATOM 0 H GLU A 21 6.387 -1.354 -5.465 1.00 44.24 H new ATOM 0 HA GLU A 21 7.109 0.986 -6.969 1.00 11.33 H new ATOM 0 HB2 GLU A 21 4.432 -0.439 -6.704 1.00 3.05 H new ATOM 0 HB3 GLU A 21 4.866 0.716 -7.949 1.00 3.05 H new ATOM 0 HG2 GLU A 21 6.003 -2.067 -7.535 1.00 62.52 H new ATOM 0 HG3 GLU A 21 5.039 -1.499 -8.883 1.00 62.52 H new ATOM 349 N MET A 22 5.050 1.299 -4.410 1.00 52.14 N ATOM 350 CA MET A 22 4.518 2.282 -3.460 1.00 32.15 C ATOM 351 C MET A 22 5.642 3.197 -2.948 1.00 74.25 C ATOM 352 O MET A 22 5.501 4.419 -2.916 1.00 12.35 O ATOM 353 CB MET A 22 3.828 1.577 -2.280 1.00 13.54 C ATOM 354 CG MET A 22 2.614 0.748 -2.685 1.00 64.42 C ATOM 355 SD MET A 22 1.315 1.741 -3.449 1.00 51.44 S ATOM 356 CE MET A 22 0.851 2.818 -2.093 1.00 33.22 C ATOM 0 H MET A 22 4.892 0.327 -4.143 1.00 52.14 H new ATOM 0 HA MET A 22 3.779 2.893 -3.978 1.00 32.15 H new ATOM 0 HB2 MET A 22 4.550 0.929 -1.783 1.00 13.54 H new ATOM 0 HB3 MET A 22 3.518 2.326 -1.552 1.00 13.54 H new ATOM 0 HG2 MET A 22 2.927 -0.031 -3.381 1.00 64.42 H new ATOM 0 HG3 MET A 22 2.212 0.246 -1.805 1.00 64.42 H new ATOM 0 HE1 MET A 22 -0.111 3.283 -2.310 1.00 33.22 H new ATOM 0 HE2 MET A 22 0.773 2.235 -1.175 1.00 33.22 H new ATOM 0 HE3 MET A 22 1.608 3.592 -1.968 1.00 33.22 H new ATOM 366 N ILE A 23 6.765 2.587 -2.564 1.00 33.12 N ATOM 367 CA ILE A 23 7.955 3.333 -2.142 1.00 23.14 C ATOM 368 C ILE A 23 8.531 4.156 -3.306 1.00 22.52 C ATOM 369 O ILE A 23 8.958 5.294 -3.123 1.00 62.24 O ATOM 370 CB ILE A 23 9.053 2.383 -1.588 1.00 4.11 C ATOM 371 CG1 ILE A 23 8.524 1.593 -0.378 1.00 65.33 C ATOM 372 CG2 ILE A 23 10.309 3.170 -1.207 1.00 14.51 C ATOM 373 CD1 ILE A 23 9.524 0.606 0.193 1.00 34.01 C ATOM 0 H ILE A 23 6.877 1.573 -2.536 1.00 33.12 H new ATOM 0 HA ILE A 23 7.643 4.009 -1.346 1.00 23.14 H new ATOM 0 HB ILE A 23 9.319 1.675 -2.373 1.00 4.11 H new ATOM 0 HG12 ILE A 23 8.234 2.295 0.404 1.00 65.33 H new ATOM 0 HG13 ILE A 23 7.624 1.054 -0.673 1.00 65.33 H new ATOM 0 HG21 ILE A 23 11.064 2.485 -0.822 1.00 14.51 H new ATOM 0 HG22 ILE A 23 10.698 3.682 -2.087 1.00 14.51 H new ATOM 0 HG23 ILE A 23 10.060 3.904 -0.441 1.00 14.51 H new ATOM 0 HD11 ILE A 23 9.079 0.088 1.042 1.00 34.01 H new ATOM 0 HD12 ILE A 23 9.797 -0.120 -0.573 1.00 34.01 H new ATOM 0 HD13 ILE A 23 10.416 1.140 0.521 1.00 34.01 H new ATOM 385 N ARG A 24 8.521 3.574 -4.507 1.00 50.23 N ATOM 386 CA ARG A 24 8.998 4.260 -5.715 1.00 22.33 C ATOM 387 C ARG A 24 8.295 5.616 -5.894 1.00 53.00 C ATOM 388 O ARG A 24 8.945 6.643 -6.095 1.00 72.23 O ATOM 389 CB ARG A 24 8.759 3.380 -6.953 1.00 64.21 C ATOM 390 CG ARG A 24 9.283 3.982 -8.256 1.00 21.24 C ATOM 391 CD ARG A 24 10.806 4.082 -8.263 1.00 74.15 C ATOM 392 NE ARG A 24 11.311 4.716 -9.480 1.00 62.32 N ATOM 393 CZ ARG A 24 12.201 4.184 -10.274 1.00 65.52 C ATOM 394 NH1 ARG A 24 12.655 2.989 -10.058 1.00 64.11 N ATOM 395 NH2 ARG A 24 12.633 4.846 -11.292 1.00 64.32 N ATOM 0 H ARG A 24 8.186 2.625 -4.672 1.00 50.23 H new ATOM 0 HA ARG A 24 10.067 4.440 -5.602 1.00 22.33 H new ATOM 0 HB2 ARG A 24 9.235 2.412 -6.795 1.00 64.21 H new ATOM 0 HB3 ARG A 24 7.689 3.196 -7.054 1.00 64.21 H new ATOM 0 HG2 ARG A 24 8.955 3.370 -9.096 1.00 21.24 H new ATOM 0 HG3 ARG A 24 8.853 4.974 -8.397 1.00 21.24 H new ATOM 0 HD2 ARG A 24 11.135 4.652 -7.394 1.00 74.15 H new ATOM 0 HD3 ARG A 24 11.235 3.084 -8.170 1.00 74.15 H new ATOM 0 HE ARG A 24 10.944 5.635 -9.725 1.00 62.32 H new ATOM 0 HH11 ARG A 24 12.317 2.452 -9.260 1.00 64.11 H new ATOM 0 HH12 ARG A 24 13.350 2.586 -10.687 1.00 64.11 H new ATOM 0 HH21 ARG A 24 12.280 5.785 -11.477 1.00 64.32 H new ATOM 0 HH22 ARG A 24 13.328 4.431 -11.913 1.00 64.32 H new ATOM 409 N GLN A 25 6.963 5.609 -5.813 1.00 32.35 N ATOM 410 CA GLN A 25 6.180 6.845 -5.904 1.00 44.40 C ATOM 411 C GLN A 25 6.434 7.754 -4.687 1.00 61.21 C ATOM 412 O GLN A 25 6.706 8.945 -4.836 1.00 23.52 O ATOM 413 CB GLN A 25 4.677 6.533 -6.010 1.00 42.15 C ATOM 414 CG GLN A 25 4.267 5.729 -7.247 1.00 15.23 C ATOM 415 CD GLN A 25 4.595 6.425 -8.564 1.00 25.15 C ATOM 416 OE1 GLN A 25 4.666 7.648 -8.642 1.00 10.11 O ATOM 417 NE2 GLN A 25 4.757 5.654 -9.622 1.00 2.13 N ATOM 0 H GLN A 25 6.405 4.765 -5.685 1.00 32.35 H new ATOM 0 HA GLN A 25 6.499 7.369 -6.805 1.00 44.40 H new ATOM 0 HB2 GLN A 25 4.372 5.982 -5.120 1.00 42.15 H new ATOM 0 HB3 GLN A 25 4.125 7.473 -6.007 1.00 42.15 H new ATOM 0 HG2 GLN A 25 4.767 4.761 -7.223 1.00 15.23 H new ATOM 0 HG3 GLN A 25 3.195 5.535 -7.205 1.00 15.23 H new ATOM 0 HE21 GLN A 25 4.693 4.640 -9.529 1.00 2.13 H new ATOM 0 HE22 GLN A 25 4.946 6.072 -10.533 1.00 2.13 H new ATOM 426 N ALA A 26 6.355 7.173 -3.488 1.00 71.13 N ATOM 427 CA ALA A 26 6.536 7.922 -2.233 1.00 4.13 C ATOM 428 C ALA A 26 7.890 8.649 -2.166 1.00 71.12 C ATOM 429 O ALA A 26 7.993 9.735 -1.599 1.00 15.42 O ATOM 430 CB ALA A 26 6.387 6.982 -1.044 1.00 4.25 C ATOM 0 H ALA A 26 6.166 6.180 -3.355 1.00 71.13 H new ATOM 0 HA ALA A 26 5.762 8.689 -2.200 1.00 4.13 H new ATOM 0 HB1 ALA A 26 6.522 7.542 -0.118 1.00 4.25 H new ATOM 0 HB2 ALA A 26 5.393 6.535 -1.056 1.00 4.25 H new ATOM 0 HB3 ALA A 26 7.139 6.196 -1.105 1.00 4.25 H new ATOM 436 N ARG A 27 8.922 8.044 -2.751 1.00 75.41 N ATOM 437 CA ARG A 27 10.262 8.646 -2.791 1.00 75.24 C ATOM 438 C ARG A 27 10.260 10.011 -3.499 1.00 44.32 C ATOM 439 O ARG A 27 11.109 10.863 -3.226 1.00 5.41 O ATOM 440 CB ARG A 27 11.264 7.691 -3.459 1.00 34.43 C ATOM 441 CG ARG A 27 11.689 6.538 -2.552 1.00 74.13 C ATOM 442 CD ARG A 27 12.651 5.567 -3.234 1.00 12.12 C ATOM 443 NE ARG A 27 13.191 4.605 -2.273 1.00 12.21 N ATOM 444 CZ ARG A 27 13.704 3.447 -2.578 1.00 44.32 C ATOM 445 NH1 ARG A 27 13.731 3.027 -3.802 1.00 54.01 N ATOM 446 NH2 ARG A 27 14.183 2.701 -1.640 1.00 60.22 N ATOM 0 H ARG A 27 8.860 7.134 -3.207 1.00 75.41 H new ATOM 0 HA ARG A 27 10.572 8.816 -1.760 1.00 75.24 H new ATOM 0 HB2 ARG A 27 10.820 7.286 -4.368 1.00 34.43 H new ATOM 0 HB3 ARG A 27 12.148 8.254 -3.760 1.00 34.43 H new ATOM 0 HG2 ARG A 27 12.163 6.942 -1.657 1.00 74.13 H new ATOM 0 HG3 ARG A 27 10.803 5.994 -2.225 1.00 74.13 H new ATOM 0 HD2 ARG A 27 12.133 5.037 -4.033 1.00 12.12 H new ATOM 0 HD3 ARG A 27 13.467 6.122 -3.696 1.00 12.12 H new ATOM 0 HE ARG A 27 13.164 4.861 -1.286 1.00 12.21 H new ATOM 0 HH11 ARG A 27 13.346 3.606 -4.548 1.00 54.01 H new ATOM 0 HH12 ARG A 27 14.137 2.117 -4.020 1.00 54.01 H new ATOM 0 HH21 ARG A 27 14.157 3.020 -0.672 1.00 60.22 H new ATOM 0 HH22 ARG A 27 14.587 1.792 -1.867 1.00 60.22 H new ATOM 460 N LYS A 28 9.321 10.203 -4.423 1.00 3.30 N ATOM 461 CA LYS A 28 9.189 11.474 -5.149 1.00 51.51 C ATOM 462 C LYS A 28 8.526 12.563 -4.284 1.00 51.35 C ATOM 463 O LYS A 28 8.637 13.757 -4.576 1.00 5.21 O ATOM 464 CB LYS A 28 8.376 11.259 -6.434 1.00 62.15 C ATOM 465 CG LYS A 28 8.978 10.215 -7.369 1.00 40.03 C ATOM 466 CD LYS A 28 10.405 10.577 -7.780 1.00 50.13 C ATOM 467 CE LYS A 28 11.024 9.531 -8.698 1.00 55.23 C ATOM 468 NZ LYS A 28 12.394 9.920 -9.124 1.00 22.05 N ATOM 0 H LYS A 28 8.637 9.496 -4.690 1.00 3.30 H new ATOM 0 HA LYS A 28 10.192 11.818 -5.401 1.00 51.51 H new ATOM 0 HB2 LYS A 28 7.364 10.955 -6.167 1.00 62.15 H new ATOM 0 HB3 LYS A 28 8.295 12.207 -6.966 1.00 62.15 H new ATOM 0 HG2 LYS A 28 8.977 9.243 -6.877 1.00 40.03 H new ATOM 0 HG3 LYS A 28 8.356 10.122 -8.259 1.00 40.03 H new ATOM 0 HD2 LYS A 28 10.402 11.543 -8.284 1.00 50.13 H new ATOM 0 HD3 LYS A 28 11.022 10.685 -6.888 1.00 50.13 H new ATOM 0 HE2 LYS A 28 11.061 8.571 -8.184 1.00 55.23 H new ATOM 0 HE3 LYS A 28 10.393 9.398 -9.577 1.00 55.23 H new ATOM 0 HZ1 LYS A 28 12.785 9.186 -9.748 1.00 22.05 H new ATOM 0 HZ2 LYS A 28 12.355 10.824 -9.636 1.00 22.05 H new ATOM 0 HZ3 LYS A 28 13.002 10.023 -8.286 1.00 22.05 H new ATOM 482 N PHE A 29 7.846 12.149 -3.214 1.00 23.43 N ATOM 483 CA PHE A 29 7.129 13.083 -2.334 1.00 53.50 C ATOM 484 C PHE A 29 7.834 13.238 -0.974 1.00 34.20 C ATOM 485 O PHE A 29 8.404 12.285 -0.441 1.00 72.42 O ATOM 486 CB PHE A 29 5.685 12.608 -2.126 1.00 2.41 C ATOM 487 CG PHE A 29 4.925 12.418 -3.418 1.00 52.45 C ATOM 488 CD1 PHE A 29 4.465 13.514 -4.136 1.00 0.31 C ATOM 489 CD2 PHE A 29 4.676 11.146 -3.913 1.00 31.32 C ATOM 490 CE1 PHE A 29 3.774 13.342 -5.321 1.00 74.40 C ATOM 491 CE2 PHE A 29 3.984 10.971 -5.097 1.00 52.04 C ATOM 492 CZ PHE A 29 3.533 12.070 -5.801 1.00 31.52 C ATOM 0 H PHE A 29 7.775 11.171 -2.932 1.00 23.43 H new ATOM 0 HA PHE A 29 7.124 14.059 -2.820 1.00 53.50 H new ATOM 0 HB2 PHE A 29 5.695 11.666 -1.577 1.00 2.41 H new ATOM 0 HB3 PHE A 29 5.158 13.333 -1.506 1.00 2.41 H new ATOM 0 HD1 PHE A 29 4.649 14.511 -3.765 1.00 0.31 H new ATOM 0 HD2 PHE A 29 5.027 10.283 -3.367 1.00 31.32 H new ATOM 0 HE1 PHE A 29 3.423 14.202 -5.871 1.00 74.40 H new ATOM 0 HE2 PHE A 29 3.796 9.975 -5.471 1.00 52.04 H new ATOM 0 HZ PHE A 29 2.992 11.935 -6.726 1.00 31.52 H new ATOM 502 N ALA A 30 7.808 14.449 -0.422 1.00 31.11 N ATOM 503 CA ALA A 30 8.419 14.712 0.886 1.00 71.32 C ATOM 504 C ALA A 30 7.505 14.269 2.042 1.00 70.11 C ATOM 505 O ALA A 30 6.674 15.041 2.529 1.00 32.14 O ATOM 506 CB ALA A 30 8.773 16.191 1.016 1.00 11.40 C ATOM 0 H ALA A 30 7.373 15.263 -0.855 1.00 31.11 H new ATOM 0 HA ALA A 30 9.333 14.122 0.951 1.00 71.32 H new ATOM 0 HB1 ALA A 30 9.225 16.373 1.991 1.00 11.40 H new ATOM 0 HB2 ALA A 30 9.478 16.467 0.232 1.00 11.40 H new ATOM 0 HB3 ALA A 30 7.869 16.792 0.918 1.00 11.40 H new ATOM 512 N GLY A 31 7.653 13.012 2.462 1.00 12.33 N ATOM 513 CA GLY A 31 6.856 12.483 3.568 1.00 44.41 C ATOM 514 C GLY A 31 7.524 11.304 4.274 1.00 73.12 C ATOM 515 O GLY A 31 8.748 11.160 4.238 1.00 44.34 O ATOM 0 H GLY A 31 8.312 12.347 2.057 1.00 12.33 H new ATOM 0 HA2 GLY A 31 6.676 13.278 4.292 1.00 44.41 H new ATOM 0 HA3 GLY A 31 5.883 12.169 3.190 1.00 44.41 H new ATOM 519 N THR A 32 6.722 10.458 4.919 1.00 20.53 N ATOM 520 CA THR A 32 7.246 9.288 5.643 1.00 25.24 C ATOM 521 C THR A 32 6.377 8.047 5.398 1.00 22.42 C ATOM 522 O THR A 32 5.157 8.106 5.511 1.00 51.04 O ATOM 523 CB THR A 32 7.324 9.553 7.169 1.00 63.12 C ATOM 524 OG1 THR A 32 8.123 10.721 7.429 1.00 0.54 O ATOM 525 CG2 THR A 32 7.921 8.358 7.913 1.00 15.51 C ATOM 0 H THR A 32 5.707 10.556 4.958 1.00 20.53 H new ATOM 0 HA THR A 32 8.250 9.107 5.260 1.00 25.24 H new ATOM 0 HB THR A 32 6.307 9.713 7.529 1.00 63.12 H new ATOM 0 HG1 THR A 32 8.165 10.880 8.395 1.00 0.54 H new ATOM 0 HG21 THR A 32 7.961 8.577 8.980 1.00 15.51 H new ATOM 0 HG22 THR A 32 7.299 7.478 7.746 1.00 15.51 H new ATOM 0 HG23 THR A 32 8.928 8.166 7.544 1.00 15.51 H new ATOM 533 N VAL A 33 7.013 6.925 5.057 1.00 74.34 N ATOM 534 CA VAL A 33 6.295 5.663 4.817 1.00 2.21 C ATOM 535 C VAL A 33 6.846 4.532 5.699 1.00 15.43 C ATOM 536 O VAL A 33 8.019 4.167 5.599 1.00 11.04 O ATOM 537 CB VAL A 33 6.387 5.234 3.328 1.00 42.45 C ATOM 538 CG1 VAL A 33 5.663 3.908 3.092 1.00 61.14 C ATOM 539 CG2 VAL A 33 5.821 6.322 2.419 1.00 2.35 C ATOM 0 H VAL A 33 8.024 6.860 4.940 1.00 74.34 H new ATOM 0 HA VAL A 33 5.251 5.842 5.073 1.00 2.21 H new ATOM 0 HB VAL A 33 7.440 5.092 3.084 1.00 42.45 H new ATOM 0 HG11 VAL A 33 5.743 3.632 2.041 1.00 61.14 H new ATOM 0 HG12 VAL A 33 6.117 3.131 3.707 1.00 61.14 H new ATOM 0 HG13 VAL A 33 4.612 4.015 3.360 1.00 61.14 H new ATOM 0 HG21 VAL A 33 5.895 6.002 1.380 1.00 2.35 H new ATOM 0 HG22 VAL A 33 4.775 6.499 2.671 1.00 2.35 H new ATOM 0 HG23 VAL A 33 6.388 7.243 2.556 1.00 2.35 H new ATOM 549 N THR A 34 5.995 3.982 6.560 1.00 12.25 N ATOM 550 CA THR A 34 6.389 2.880 7.449 1.00 14.43 C ATOM 551 C THR A 34 5.761 1.554 6.994 1.00 71.22 C ATOM 552 O THR A 34 4.553 1.481 6.785 1.00 23.41 O ATOM 553 CB THR A 34 5.956 3.157 8.912 1.00 21.11 C ATOM 554 OG1 THR A 34 4.525 3.076 9.048 1.00 22.40 O ATOM 555 CG2 THR A 34 6.415 4.543 9.353 1.00 42.21 C ATOM 0 H THR A 34 5.025 4.278 6.665 1.00 12.25 H new ATOM 0 HA THR A 34 7.475 2.806 7.401 1.00 14.43 H new ATOM 0 HB THR A 34 6.421 2.399 9.542 1.00 21.11 H new ATOM 0 HG1 THR A 34 4.152 2.577 8.291 1.00 22.40 H new ATOM 0 HG21 THR A 34 6.102 4.720 10.382 1.00 42.21 H new ATOM 0 HG22 THR A 34 7.501 4.604 9.288 1.00 42.21 H new ATOM 0 HG23 THR A 34 5.970 5.297 8.704 1.00 42.21 H new ATOM 563 N TYR A 35 6.563 0.500 6.862 1.00 64.12 N ATOM 564 CA TYR A 35 6.029 -0.803 6.432 1.00 12.03 C ATOM 565 C TYR A 35 6.532 -1.959 7.310 1.00 2.52 C ATOM 566 O TYR A 35 7.680 -1.965 7.758 1.00 15.51 O ATOM 567 CB TYR A 35 6.358 -1.068 4.952 1.00 31.43 C ATOM 568 CG TYR A 35 7.845 -1.096 4.617 1.00 43.21 C ATOM 569 CD1 TYR A 35 8.585 -2.270 4.726 1.00 23.34 C ATOM 570 CD2 TYR A 35 8.497 0.046 4.158 1.00 33.14 C ATOM 571 CE1 TYR A 35 9.926 -2.304 4.390 1.00 51.31 C ATOM 572 CE2 TYR A 35 9.840 0.019 3.826 1.00 33.31 C ATOM 573 CZ TYR A 35 10.549 -1.159 3.941 1.00 13.04 C ATOM 574 OH TYR A 35 11.884 -1.197 3.592 1.00 35.40 O ATOM 0 H TYR A 35 7.567 0.514 7.041 1.00 64.12 H new ATOM 0 HA TYR A 35 4.946 -0.755 6.549 1.00 12.03 H new ATOM 0 HB2 TYR A 35 5.918 -2.022 4.663 1.00 31.43 H new ATOM 0 HB3 TYR A 35 5.879 -0.299 4.346 1.00 31.43 H new ATOM 0 HD1 TYR A 35 8.103 -3.170 5.079 1.00 23.34 H new ATOM 0 HD2 TYR A 35 7.945 0.969 4.059 1.00 33.14 H new ATOM 0 HE1 TYR A 35 10.484 -3.225 4.479 1.00 51.31 H new ATOM 0 HE2 TYR A 35 10.331 0.916 3.478 1.00 33.31 H new ATOM 0 HH TYR A 35 12.170 -0.308 3.295 1.00 35.40 H new ATOM 584 N THR A 36 5.653 -2.931 7.562 1.00 64.32 N ATOM 585 CA THR A 36 5.992 -4.111 8.377 1.00 63.42 C ATOM 586 C THR A 36 5.525 -5.411 7.705 1.00 34.51 C ATOM 587 O THR A 36 4.426 -5.482 7.154 1.00 23.33 O ATOM 588 CB THR A 36 5.356 -4.035 9.789 1.00 41.32 C ATOM 589 OG1 THR A 36 3.924 -4.034 9.692 1.00 73.13 O ATOM 590 CG2 THR A 36 5.815 -2.789 10.540 1.00 54.22 C ATOM 0 H THR A 36 4.694 -2.928 7.213 1.00 64.32 H new ATOM 0 HA THR A 36 7.078 -4.115 8.469 1.00 63.42 H new ATOM 0 HB THR A 36 5.684 -4.914 10.345 1.00 41.32 H new ATOM 0 HG1 THR A 36 3.535 -3.987 10.590 1.00 73.13 H new ATOM 0 HG21 THR A 36 5.351 -2.767 11.526 1.00 54.22 H new ATOM 0 HG22 THR A 36 6.899 -2.809 10.650 1.00 54.22 H new ATOM 0 HG23 THR A 36 5.524 -1.900 9.981 1.00 54.22 H new ATOM 598 N LEU A 37 6.376 -6.438 7.751 1.00 40.04 N ATOM 599 CA LEU A 37 6.046 -7.768 7.205 1.00 20.32 C ATOM 600 C LEU A 37 5.914 -8.804 8.328 1.00 74.21 C ATOM 601 O LEU A 37 6.754 -8.863 9.231 1.00 53.44 O ATOM 602 CB LEU A 37 7.125 -8.247 6.211 1.00 61.13 C ATOM 603 CG LEU A 37 7.084 -7.636 4.801 1.00 72.11 C ATOM 604 CD1 LEU A 37 5.734 -7.902 4.140 1.00 23.32 C ATOM 605 CD2 LEU A 37 7.408 -6.142 4.831 1.00 54.25 C ATOM 0 H LEU A 37 7.307 -6.379 8.163 1.00 40.04 H new ATOM 0 HA LEU A 37 5.094 -7.672 6.683 1.00 20.32 H new ATOM 0 HB2 LEU A 37 8.103 -8.038 6.644 1.00 61.13 H new ATOM 0 HB3 LEU A 37 7.043 -9.330 6.115 1.00 61.13 H new ATOM 0 HG LEU A 37 7.854 -8.119 4.200 1.00 72.11 H new ATOM 0 HD11 LEU A 37 5.724 -7.462 3.143 1.00 23.32 H new ATOM 0 HD12 LEU A 37 5.572 -8.977 4.064 1.00 23.32 H new ATOM 0 HD13 LEU A 37 4.941 -7.457 4.741 1.00 23.32 H new ATOM 0 HD21 LEU A 37 7.370 -5.741 3.818 1.00 54.25 H new ATOM 0 HD22 LEU A 37 6.679 -5.624 5.454 1.00 54.25 H new ATOM 0 HD23 LEU A 37 8.406 -5.994 5.243 1.00 54.25 H new ATOM 617 N ASP A 38 4.865 -9.619 8.271 1.00 42.51 N ATOM 618 CA ASP A 38 4.708 -10.721 9.219 1.00 1.04 C ATOM 619 C ASP A 38 3.946 -11.897 8.590 1.00 42.11 C ATOM 620 O ASP A 38 2.714 -11.907 8.553 1.00 41.22 O ATOM 621 CB ASP A 38 3.990 -10.245 10.486 1.00 23.10 C ATOM 622 CG ASP A 38 4.182 -11.218 11.633 1.00 12.42 C ATOM 623 OD1 ASP A 38 5.247 -11.162 12.281 1.00 22.25 O ATOM 624 OD2 ASP A 38 3.289 -12.059 11.879 1.00 11.33 O ATOM 0 H ASP A 38 4.115 -9.540 7.584 1.00 42.51 H new ATOM 0 HA ASP A 38 5.706 -11.069 9.488 1.00 1.04 H new ATOM 0 HB2 ASP A 38 4.368 -9.264 10.773 1.00 23.10 H new ATOM 0 HB3 ASP A 38 2.926 -10.129 10.280 1.00 23.10 H new ATOM 629 N GLY A 39 4.688 -12.878 8.082 1.00 14.32 N ATOM 630 CA GLY A 39 4.074 -14.062 7.485 1.00 75.34 C ATOM 631 C GLY A 39 3.242 -13.756 6.241 1.00 1.51 C ATOM 632 O GLY A 39 3.713 -13.910 5.113 1.00 64.12 O ATOM 0 H GLY A 39 5.708 -12.878 8.071 1.00 14.32 H new ATOM 0 HA2 GLY A 39 4.856 -14.774 7.223 1.00 75.34 H new ATOM 0 HA3 GLY A 39 3.439 -14.545 8.227 1.00 75.34 H new ATOM 636 N ASN A 40 1.999 -13.327 6.444 1.00 65.12 N ATOM 637 CA ASN A 40 1.089 -13.021 5.333 1.00 43.34 C ATOM 638 C ASN A 40 0.577 -11.574 5.390 1.00 74.55 C ATOM 639 O ASN A 40 -0.147 -11.133 4.497 1.00 12.24 O ATOM 640 CB ASN A 40 -0.100 -13.990 5.344 1.00 75.01 C ATOM 641 CG ASN A 40 0.316 -15.444 5.197 1.00 74.15 C ATOM 642 OD1 ASN A 40 1.408 -15.691 4.496 1.00 3.44 O flip ATOM 643 ND2 ASN A 40 -0.346 -16.343 5.703 1.00 2.32 N flip ATOM 0 H ASN A 40 1.594 -13.182 7.369 1.00 65.12 H new ATOM 0 HA ASN A 40 1.653 -13.139 4.408 1.00 43.34 H new ATOM 0 HB2 ASN A 40 -0.652 -13.868 6.276 1.00 75.01 H new ATOM 0 HB3 ASN A 40 -0.781 -13.729 4.534 1.00 75.01 H new ATOM 0 HD21 ASN A 40 -1.185 -16.119 6.239 1.00 2.32 H new ATOM 0 HD22 ASN A 40 -0.058 -17.315 5.588 1.00 2.32 H new ATOM 650 N ASP A 41 0.948 -10.841 6.438 1.00 12.30 N ATOM 651 CA ASP A 41 0.479 -9.466 6.633 1.00 23.23 C ATOM 652 C ASP A 41 1.551 -8.434 6.237 1.00 22.12 C ATOM 653 O ASP A 41 2.727 -8.577 6.579 1.00 54.12 O ATOM 654 CB ASP A 41 0.071 -9.262 8.097 1.00 43.55 C ATOM 655 CG ASP A 41 -1.024 -10.226 8.528 1.00 70.43 C ATOM 656 OD1 ASP A 41 -0.714 -11.403 8.798 1.00 53.45 O ATOM 657 OD2 ASP A 41 -2.204 -9.812 8.601 1.00 52.15 O ATOM 0 H ASP A 41 1.575 -11.176 7.170 1.00 12.30 H new ATOM 0 HA ASP A 41 -0.383 -9.311 5.984 1.00 23.23 H new ATOM 0 HB2 ASP A 41 0.943 -9.395 8.737 1.00 43.55 H new ATOM 0 HB3 ASP A 41 -0.274 -8.237 8.237 1.00 43.55 H new ATOM 662 N LEU A 42 1.129 -7.405 5.504 1.00 53.53 N ATOM 663 CA LEU A 42 2.002 -6.284 5.133 1.00 44.42 C ATOM 664 C LEU A 42 1.334 -4.946 5.487 1.00 12.32 C ATOM 665 O LEU A 42 0.462 -4.465 4.761 1.00 4.12 O ATOM 666 CB LEU A 42 2.332 -6.336 3.629 1.00 64.12 C ATOM 667 CG LEU A 42 2.996 -5.076 3.037 1.00 74.25 C ATOM 668 CD1 LEU A 42 4.285 -4.723 3.778 1.00 5.20 C ATOM 669 CD2 LEU A 42 3.269 -5.264 1.546 1.00 1.23 C ATOM 0 H LEU A 42 0.176 -7.321 5.150 1.00 53.53 H new ATOM 0 HA LEU A 42 2.932 -6.368 5.696 1.00 44.42 H new ATOM 0 HB2 LEU A 42 2.990 -7.187 3.451 1.00 64.12 H new ATOM 0 HB3 LEU A 42 1.409 -6.527 3.081 1.00 64.12 H new ATOM 0 HG LEU A 42 2.302 -4.245 3.163 1.00 74.25 H new ATOM 0 HD11 LEU A 42 4.727 -3.830 3.335 1.00 5.20 H new ATOM 0 HD12 LEU A 42 4.061 -4.534 4.828 1.00 5.20 H new ATOM 0 HD13 LEU A 42 4.988 -5.552 3.700 1.00 5.20 H new ATOM 0 HD21 LEU A 42 3.738 -4.365 1.146 1.00 1.23 H new ATOM 0 HD22 LEU A 42 3.935 -6.115 1.402 1.00 1.23 H new ATOM 0 HD23 LEU A 42 2.330 -5.447 1.024 1.00 1.23 H new ATOM 681 N GLU A 43 1.732 -4.361 6.610 1.00 71.13 N ATOM 682 CA GLU A 43 1.151 -3.093 7.061 1.00 1.15 C ATOM 683 C GLU A 43 1.957 -1.895 6.544 1.00 63.32 C ATOM 684 O GLU A 43 3.049 -1.608 7.032 1.00 40.00 O ATOM 685 CB GLU A 43 1.076 -3.051 8.595 1.00 74.10 C ATOM 686 CG GLU A 43 0.178 -4.130 9.195 1.00 75.41 C ATOM 687 CD GLU A 43 0.081 -4.044 10.712 1.00 1.51 C ATOM 688 OE1 GLU A 43 -0.547 -3.090 11.219 1.00 71.14 O ATOM 689 OE2 GLU A 43 0.612 -4.938 11.405 1.00 21.54 O ATOM 0 H GLU A 43 2.452 -4.739 7.226 1.00 71.13 H new ATOM 0 HA GLU A 43 0.143 -3.028 6.652 1.00 1.15 H new ATOM 0 HB2 GLU A 43 2.081 -3.160 9.002 1.00 74.10 H new ATOM 0 HB3 GLU A 43 0.710 -2.072 8.905 1.00 74.10 H new ATOM 0 HG2 GLU A 43 -0.821 -4.044 8.767 1.00 75.41 H new ATOM 0 HG3 GLU A 43 0.561 -5.111 8.916 1.00 75.41 H new ATOM 696 N ILE A 44 1.418 -1.215 5.536 1.00 25.31 N ATOM 697 CA ILE A 44 2.027 0.008 5.006 1.00 65.35 C ATOM 698 C ILE A 44 1.281 1.247 5.526 1.00 30.43 C ATOM 699 O ILE A 44 0.059 1.323 5.446 1.00 31.21 O ATOM 700 CB ILE A 44 2.011 0.023 3.453 1.00 52.54 C ATOM 701 CG1 ILE A 44 2.712 -1.227 2.893 1.00 64.41 C ATOM 702 CG2 ILE A 44 2.665 1.297 2.914 1.00 44.11 C ATOM 703 CD1 ILE A 44 2.683 -1.323 1.380 1.00 4.05 C ATOM 0 H ILE A 44 0.556 -1.490 5.065 1.00 25.31 H new ATOM 0 HA ILE A 44 3.062 0.029 5.347 1.00 65.35 H new ATOM 0 HB ILE A 44 0.972 0.011 3.123 1.00 52.54 H new ATOM 0 HG12 ILE A 44 3.749 -1.230 3.227 1.00 64.41 H new ATOM 0 HG13 ILE A 44 2.239 -2.115 3.313 1.00 64.41 H new ATOM 0 HG21 ILE A 44 2.642 1.285 1.824 1.00 44.11 H new ATOM 0 HG22 ILE A 44 2.120 2.168 3.279 1.00 44.11 H new ATOM 0 HG23 ILE A 44 3.699 1.347 3.254 1.00 44.11 H new ATOM 0 HD11 ILE A 44 3.197 -2.230 1.063 1.00 4.05 H new ATOM 0 HD12 ILE A 44 1.649 -1.353 1.037 1.00 4.05 H new ATOM 0 HD13 ILE A 44 3.182 -0.454 0.951 1.00 4.05 H new ATOM 715 N ARG A 45 2.014 2.202 6.077 1.00 32.20 N ATOM 716 CA ARG A 45 1.419 3.440 6.587 1.00 25.54 C ATOM 717 C ARG A 45 2.107 4.662 5.965 1.00 41.52 C ATOM 718 O ARG A 45 3.284 4.923 6.218 1.00 62.20 O ATOM 719 CB ARG A 45 1.529 3.477 8.115 1.00 64.21 C ATOM 720 CG ARG A 45 0.742 4.605 8.769 1.00 72.14 C ATOM 721 CD ARG A 45 0.754 4.484 10.290 1.00 64.23 C ATOM 722 NE ARG A 45 -0.197 5.398 10.917 1.00 54.23 N ATOM 723 CZ ARG A 45 -0.685 5.243 12.113 1.00 41.21 C ATOM 724 NH1 ARG A 45 -0.324 4.239 12.846 1.00 41.10 N ATOM 725 NH2 ARG A 45 -1.538 6.094 12.572 1.00 13.13 N ATOM 0 H ARG A 45 3.027 2.148 6.185 1.00 32.20 H new ATOM 0 HA ARG A 45 0.365 3.468 6.310 1.00 25.54 H new ATOM 0 HB2 ARG A 45 1.181 2.525 8.517 1.00 64.21 H new ATOM 0 HB3 ARG A 45 2.579 3.574 8.391 1.00 64.21 H new ATOM 0 HG2 ARG A 45 1.167 5.565 8.476 1.00 72.14 H new ATOM 0 HG3 ARG A 45 -0.287 4.589 8.409 1.00 72.14 H new ATOM 0 HD2 ARG A 45 0.514 3.459 10.574 1.00 64.23 H new ATOM 0 HD3 ARG A 45 1.757 4.692 10.663 1.00 64.23 H new ATOM 0 HE ARG A 45 -0.499 6.212 10.382 1.00 54.23 H new ATOM 0 HH11 ARG A 45 0.348 3.561 12.487 1.00 41.10 H new ATOM 0 HH12 ARG A 45 -0.712 4.126 13.783 1.00 41.10 H new ATOM 0 HH21 ARG A 45 -1.828 6.886 11.998 1.00 13.13 H new ATOM 0 HH22 ARG A 45 -1.923 5.976 13.509 1.00 13.13 H new ATOM 739 N ILE A 46 1.372 5.400 5.140 1.00 61.24 N ATOM 740 CA ILE A 46 1.931 6.554 4.432 1.00 53.32 C ATOM 741 C ILE A 46 1.462 7.880 5.055 1.00 73.20 C ATOM 742 O ILE A 46 0.274 8.219 5.022 1.00 41.25 O ATOM 743 CB ILE A 46 1.545 6.529 2.931 1.00 70.34 C ATOM 744 CG1 ILE A 46 1.947 5.183 2.298 1.00 12.43 C ATOM 745 CG2 ILE A 46 2.202 7.693 2.191 1.00 15.24 C ATOM 746 CD1 ILE A 46 1.570 5.054 0.837 1.00 52.21 C ATOM 0 H ILE A 46 0.387 5.222 4.943 1.00 61.24 H new ATOM 0 HA ILE A 46 3.015 6.487 4.525 1.00 53.32 H new ATOM 0 HB ILE A 46 0.464 6.639 2.847 1.00 70.34 H new ATOM 0 HG12 ILE A 46 3.025 5.054 2.398 1.00 12.43 H new ATOM 0 HG13 ILE A 46 1.476 4.375 2.857 1.00 12.43 H new ATOM 0 HG21 ILE A 46 1.920 7.660 1.138 1.00 15.24 H new ATOM 0 HG22 ILE A 46 1.869 8.635 2.627 1.00 15.24 H new ATOM 0 HG23 ILE A 46 3.286 7.615 2.279 1.00 15.24 H new ATOM 0 HD11 ILE A 46 1.886 4.080 0.464 1.00 52.21 H new ATOM 0 HD12 ILE A 46 0.490 5.150 0.730 1.00 52.21 H new ATOM 0 HD13 ILE A 46 2.062 5.839 0.263 1.00 52.21 H new ATOM 758 N THR A 47 2.409 8.622 5.619 1.00 33.11 N ATOM 759 CA THR A 47 2.127 9.902 6.277 1.00 22.11 C ATOM 760 C THR A 47 2.576 11.096 5.418 1.00 51.35 C ATOM 761 O THR A 47 3.773 11.281 5.184 1.00 44.43 O ATOM 762 CB THR A 47 2.849 9.989 7.645 1.00 44.11 C ATOM 763 OG1 THR A 47 2.542 8.833 8.440 1.00 63.51 O ATOM 764 CG2 THR A 47 2.448 11.252 8.403 1.00 31.52 C ATOM 0 H THR A 47 3.394 8.357 5.635 1.00 33.11 H new ATOM 0 HA THR A 47 1.047 9.948 6.418 1.00 22.11 H new ATOM 0 HB THR A 47 3.922 10.027 7.455 1.00 44.11 H new ATOM 0 HG1 THR A 47 1.758 9.019 8.998 1.00 63.51 H new ATOM 0 HG21 THR A 47 2.971 11.284 9.359 1.00 31.52 H new ATOM 0 HG22 THR A 47 2.714 12.130 7.814 1.00 31.52 H new ATOM 0 HG23 THR A 47 1.372 11.245 8.578 1.00 31.52 H new ATOM 772 N GLY A 48 1.622 11.901 4.942 1.00 62.10 N ATOM 773 CA GLY A 48 1.972 13.128 4.224 1.00 13.43 C ATOM 774 C GLY A 48 1.217 13.331 2.907 1.00 14.35 C ATOM 775 O GLY A 48 0.756 14.437 2.623 1.00 0.52 O ATOM 0 H GLY A 48 0.621 11.730 5.038 1.00 62.10 H new ATOM 0 HA2 GLY A 48 1.779 13.982 4.874 1.00 13.43 H new ATOM 0 HA3 GLY A 48 3.042 13.120 4.017 1.00 13.43 H new ATOM 779 N VAL A 49 1.088 12.266 2.111 1.00 12.43 N ATOM 780 CA VAL A 49 0.520 12.355 0.749 1.00 65.25 C ATOM 781 C VAL A 49 -0.840 13.094 0.685 1.00 21.44 C ATOM 782 O VAL A 49 -1.781 12.769 1.421 1.00 2.31 O ATOM 783 CB VAL A 49 0.370 10.953 0.107 1.00 31.42 C ATOM 784 CG1 VAL A 49 1.743 10.351 -0.184 1.00 14.13 C ATOM 785 CG2 VAL A 49 -0.448 10.026 1.005 1.00 5.12 C ATOM 0 H VAL A 49 1.369 11.324 2.382 1.00 12.43 H new ATOM 0 HA VAL A 49 1.238 12.948 0.183 1.00 65.25 H new ATOM 0 HB VAL A 49 -0.165 11.064 -0.836 1.00 31.42 H new ATOM 0 HG11 VAL A 49 1.620 9.366 -0.635 1.00 14.13 H new ATOM 0 HG12 VAL A 49 2.286 11.000 -0.871 1.00 14.13 H new ATOM 0 HG13 VAL A 49 2.304 10.257 0.746 1.00 14.13 H new ATOM 0 HG21 VAL A 49 -0.539 9.048 0.532 1.00 5.12 H new ATOM 0 HG22 VAL A 49 0.051 9.918 1.968 1.00 5.12 H new ATOM 0 HG23 VAL A 49 -1.441 10.449 1.157 1.00 5.12 H new ATOM 795 N PRO A 50 -0.953 14.095 -0.225 1.00 75.02 N ATOM 796 CA PRO A 50 -2.155 14.938 -0.372 1.00 74.51 C ATOM 797 C PRO A 50 -3.245 14.336 -1.286 1.00 10.22 C ATOM 798 O PRO A 50 -3.172 13.171 -1.684 1.00 25.21 O ATOM 799 CB PRO A 50 -1.576 16.210 -0.999 1.00 35.13 C ATOM 800 CG PRO A 50 -0.452 15.727 -1.854 1.00 25.14 C ATOM 801 CD PRO A 50 0.106 14.497 -1.176 1.00 13.41 C ATOM 0 HA PRO A 50 -2.669 15.076 0.579 1.00 74.51 H new ATOM 0 HB2 PRO A 50 -2.325 16.738 -1.589 1.00 35.13 H new ATOM 0 HB3 PRO A 50 -1.224 16.904 -0.236 1.00 35.13 H new ATOM 0 HG2 PRO A 50 -0.803 15.491 -2.859 1.00 25.14 H new ATOM 0 HG3 PRO A 50 0.315 16.495 -1.957 1.00 25.14 H new ATOM 0 HD2 PRO A 50 0.316 13.706 -1.896 1.00 13.41 H new ATOM 0 HD3 PRO A 50 1.041 14.716 -0.661 1.00 13.41 H new ATOM 809 N GLU A 51 -4.242 15.166 -1.618 1.00 41.52 N ATOM 810 CA GLU A 51 -5.412 14.763 -2.425 1.00 51.05 C ATOM 811 C GLU A 51 -5.040 13.991 -3.710 1.00 42.34 C ATOM 812 O GLU A 51 -5.256 12.781 -3.799 1.00 32.01 O ATOM 813 CB GLU A 51 -6.235 16.011 -2.787 1.00 24.22 C ATOM 814 CG GLU A 51 -7.468 15.734 -3.647 1.00 61.33 C ATOM 815 CD GLU A 51 -8.550 14.956 -2.911 1.00 62.13 C ATOM 816 OE1 GLU A 51 -9.319 15.583 -2.147 1.00 75.24 O ATOM 817 OE2 GLU A 51 -8.635 13.724 -3.095 1.00 73.21 O ATOM 0 H GLU A 51 -4.264 16.145 -1.334 1.00 41.52 H new ATOM 0 HA GLU A 51 -5.997 14.076 -1.813 1.00 51.05 H new ATOM 0 HB2 GLU A 51 -6.553 16.500 -1.866 1.00 24.22 H new ATOM 0 HB3 GLU A 51 -5.591 16.714 -3.315 1.00 24.22 H new ATOM 0 HG2 GLU A 51 -7.882 16.681 -3.993 1.00 61.33 H new ATOM 0 HG3 GLU A 51 -7.167 15.175 -4.533 1.00 61.33 H new ATOM 824 N GLN A 52 -4.479 14.695 -4.703 1.00 43.44 N ATOM 825 CA GLN A 52 -4.188 14.099 -6.022 1.00 62.10 C ATOM 826 C GLN A 52 -3.419 12.769 -5.918 1.00 22.00 C ATOM 827 O GLN A 52 -3.626 11.857 -6.720 1.00 24.33 O ATOM 828 CB GLN A 52 -3.400 15.083 -6.903 1.00 51.42 C ATOM 829 CG GLN A 52 -2.063 15.525 -6.310 1.00 21.44 C ATOM 830 CD GLN A 52 -1.196 16.287 -7.302 1.00 33.45 C ATOM 831 OE1 GLN A 52 -1.246 16.046 -8.506 1.00 64.35 O ATOM 832 NE2 GLN A 52 -0.394 17.206 -6.809 1.00 51.20 N ATOM 0 H GLN A 52 -4.216 15.677 -4.622 1.00 43.44 H new ATOM 0 HA GLN A 52 -5.153 13.886 -6.482 1.00 62.10 H new ATOM 0 HB2 GLN A 52 -3.219 14.619 -7.873 1.00 51.42 H new ATOM 0 HB3 GLN A 52 -4.015 15.965 -7.081 1.00 51.42 H new ATOM 0 HG2 GLN A 52 -2.248 16.154 -5.439 1.00 21.44 H new ATOM 0 HG3 GLN A 52 -1.519 14.648 -5.960 1.00 21.44 H new ATOM 0 HE21 GLN A 52 -0.376 17.382 -5.804 1.00 51.20 H new ATOM 0 HE22 GLN A 52 0.210 17.743 -7.431 1.00 51.20 H new ATOM 841 N VAL A 53 -2.542 12.661 -4.922 1.00 42.24 N ATOM 842 CA VAL A 53 -1.740 11.448 -4.725 1.00 60.55 C ATOM 843 C VAL A 53 -2.547 10.350 -4.013 1.00 12.33 C ATOM 844 O VAL A 53 -2.409 9.164 -4.316 1.00 21.35 O ATOM 845 CB VAL A 53 -0.465 11.759 -3.900 1.00 32.44 C ATOM 846 CG1 VAL A 53 0.455 10.541 -3.824 1.00 23.34 C ATOM 847 CG2 VAL A 53 0.270 12.966 -4.481 1.00 42.54 C ATOM 0 H VAL A 53 -2.366 13.396 -4.237 1.00 42.24 H new ATOM 0 HA VAL A 53 -1.454 11.089 -5.714 1.00 60.55 H new ATOM 0 HB VAL A 53 -0.772 12.004 -2.883 1.00 32.44 H new ATOM 0 HG11 VAL A 53 1.341 10.790 -3.239 1.00 23.34 H new ATOM 0 HG12 VAL A 53 -0.074 9.715 -3.348 1.00 23.34 H new ATOM 0 HG13 VAL A 53 0.755 10.248 -4.830 1.00 23.34 H new ATOM 0 HG21 VAL A 53 1.162 13.169 -3.888 1.00 42.54 H new ATOM 0 HG22 VAL A 53 0.559 12.755 -5.511 1.00 42.54 H new ATOM 0 HG23 VAL A 53 -0.386 13.836 -4.459 1.00 42.54 H new ATOM 857 N ARG A 54 -3.403 10.769 -3.084 1.00 55.11 N ATOM 858 CA ARG A 54 -4.213 9.852 -2.276 1.00 43.30 C ATOM 859 C ARG A 54 -5.022 8.878 -3.147 1.00 24.21 C ATOM 860 O ARG A 54 -4.966 7.659 -2.957 1.00 74.21 O ATOM 861 CB ARG A 54 -5.167 10.668 -1.391 1.00 3.20 C ATOM 862 CG ARG A 54 -5.982 9.838 -0.408 1.00 44.24 C ATOM 863 CD ARG A 54 -5.088 9.059 0.548 1.00 52.34 C ATOM 864 NE ARG A 54 -4.073 9.915 1.166 1.00 73.23 N ATOM 865 CZ ARG A 54 -3.888 10.029 2.448 1.00 53.23 C ATOM 866 NH1 ARG A 54 -4.699 9.455 3.279 1.00 41.02 N ATOM 867 NH2 ARG A 54 -2.916 10.758 2.895 1.00 22.11 N ATOM 0 H ARG A 54 -3.557 11.754 -2.868 1.00 55.11 H new ATOM 0 HA ARG A 54 -3.537 9.258 -1.661 1.00 43.30 H new ATOM 0 HB2 ARG A 54 -4.586 11.402 -0.833 1.00 3.20 H new ATOM 0 HB3 ARG A 54 -5.851 11.224 -2.032 1.00 3.20 H new ATOM 0 HG2 ARG A 54 -6.641 10.493 0.162 1.00 44.24 H new ATOM 0 HG3 ARG A 54 -6.619 9.145 -0.957 1.00 44.24 H new ATOM 0 HD2 ARG A 54 -5.700 8.602 1.326 1.00 52.34 H new ATOM 0 HD3 ARG A 54 -4.599 8.248 0.008 1.00 52.34 H new ATOM 0 HE ARG A 54 -3.470 10.459 0.549 1.00 73.23 H new ATOM 0 HH11 ARG A 54 -5.487 8.910 2.929 1.00 41.02 H new ATOM 0 HH12 ARG A 54 -4.549 9.547 4.284 1.00 41.02 H new ATOM 0 HH21 ARG A 54 -2.298 11.241 2.242 1.00 22.11 H new ATOM 0 HH22 ARG A 54 -2.768 10.850 3.900 1.00 22.11 H new ATOM 881 N LYS A 55 -5.776 9.429 -4.096 1.00 41.30 N ATOM 882 CA LYS A 55 -6.613 8.624 -4.995 1.00 31.04 C ATOM 883 C LYS A 55 -5.774 7.655 -5.849 1.00 54.44 C ATOM 884 O LYS A 55 -6.205 6.538 -6.145 1.00 32.31 O ATOM 885 CB LYS A 55 -7.448 9.544 -5.897 1.00 53.12 C ATOM 886 CG LYS A 55 -6.615 10.502 -6.749 1.00 54.32 C ATOM 887 CD LYS A 55 -7.493 11.465 -7.543 1.00 33.13 C ATOM 888 CE LYS A 55 -6.667 12.374 -8.446 1.00 4.43 C ATOM 889 NZ LYS A 55 -5.939 11.608 -9.492 1.00 4.54 N ATOM 0 H LYS A 55 -5.827 10.433 -4.266 1.00 41.30 H new ATOM 0 HA LYS A 55 -7.278 8.020 -4.378 1.00 31.04 H new ATOM 0 HB2 LYS A 55 -8.063 8.930 -6.555 1.00 53.12 H new ATOM 0 HB3 LYS A 55 -8.129 10.125 -5.275 1.00 53.12 H new ATOM 0 HG2 LYS A 55 -5.943 11.070 -6.106 1.00 54.32 H new ATOM 0 HG3 LYS A 55 -5.991 9.929 -7.435 1.00 54.32 H new ATOM 0 HD2 LYS A 55 -8.200 10.897 -8.148 1.00 33.13 H new ATOM 0 HD3 LYS A 55 -8.080 12.073 -6.854 1.00 33.13 H new ATOM 0 HE2 LYS A 55 -7.322 13.105 -8.921 1.00 4.43 H new ATOM 0 HE3 LYS A 55 -5.952 12.932 -7.842 1.00 4.43 H new ATOM 0 HZ1 LYS A 55 -4.926 11.842 -9.452 1.00 4.54 H new ATOM 0 HZ2 LYS A 55 -6.066 10.589 -9.328 1.00 4.54 H new ATOM 0 HZ3 LYS A 55 -6.315 11.857 -10.429 1.00 4.54 H new ATOM 903 N GLU A 56 -4.573 8.081 -6.234 1.00 74.15 N ATOM 904 CA GLU A 56 -3.685 7.251 -7.059 1.00 63.11 C ATOM 905 C GLU A 56 -3.107 6.074 -6.260 1.00 34.34 C ATOM 906 O GLU A 56 -3.037 4.948 -6.760 1.00 72.43 O ATOM 907 CB GLU A 56 -2.547 8.099 -7.645 1.00 30.44 C ATOM 908 CG GLU A 56 -3.029 9.253 -8.519 1.00 24.34 C ATOM 909 CD GLU A 56 -3.953 8.798 -9.640 1.00 22.30 C ATOM 910 OE1 GLU A 56 -3.462 8.197 -10.617 1.00 41.31 O ATOM 911 OE2 GLU A 56 -5.177 9.042 -9.550 1.00 73.24 O ATOM 0 H GLU A 56 -4.189 8.994 -5.991 1.00 74.15 H new ATOM 0 HA GLU A 56 -4.282 6.843 -7.874 1.00 63.11 H new ATOM 0 HB2 GLU A 56 -1.947 8.500 -6.828 1.00 30.44 H new ATOM 0 HB3 GLU A 56 -1.894 7.456 -8.235 1.00 30.44 H new ATOM 0 HG2 GLU A 56 -3.551 9.980 -7.897 1.00 24.34 H new ATOM 0 HG3 GLU A 56 -2.166 9.762 -8.949 1.00 24.34 H new ATOM 918 N LEU A 57 -2.695 6.338 -5.021 1.00 5.43 N ATOM 919 CA LEU A 57 -2.154 5.289 -4.144 1.00 60.35 C ATOM 920 C LEU A 57 -3.223 4.235 -3.814 1.00 63.12 C ATOM 921 O LEU A 57 -2.966 3.032 -3.874 1.00 73.52 O ATOM 922 CB LEU A 57 -1.606 5.904 -2.849 1.00 53.33 C ATOM 923 CG LEU A 57 -0.443 6.893 -3.031 1.00 34.21 C ATOM 924 CD1 LEU A 57 0.031 7.422 -1.682 1.00 35.45 C ATOM 925 CD2 LEU A 57 0.712 6.241 -3.791 1.00 3.22 C ATOM 0 H LEU A 57 -2.723 7.266 -4.598 1.00 5.43 H new ATOM 0 HA LEU A 57 -1.341 4.796 -4.676 1.00 60.35 H new ATOM 0 HB2 LEU A 57 -2.420 6.417 -2.337 1.00 53.33 H new ATOM 0 HB3 LEU A 57 -1.276 5.097 -2.195 1.00 53.33 H new ATOM 0 HG LEU A 57 -0.804 7.735 -3.621 1.00 34.21 H new ATOM 0 HD11 LEU A 57 0.854 8.120 -1.834 1.00 35.45 H new ATOM 0 HD12 LEU A 57 -0.792 7.934 -1.183 1.00 35.45 H new ATOM 0 HD13 LEU A 57 0.370 6.591 -1.064 1.00 35.45 H new ATOM 0 HD21 LEU A 57 1.523 6.960 -3.907 1.00 3.22 H new ATOM 0 HD22 LEU A 57 1.072 5.376 -3.234 1.00 3.22 H new ATOM 0 HD23 LEU A 57 0.366 5.922 -4.774 1.00 3.22 H new ATOM 937 N ALA A 58 -4.425 4.698 -3.472 1.00 43.32 N ATOM 938 CA ALA A 58 -5.554 3.796 -3.205 1.00 71.30 C ATOM 939 C ALA A 58 -5.889 2.945 -4.439 1.00 35.03 C ATOM 940 O ALA A 58 -6.122 1.738 -4.338 1.00 25.40 O ATOM 941 CB ALA A 58 -6.773 4.597 -2.759 1.00 33.44 C ATOM 0 H ALA A 58 -4.646 5.689 -3.372 1.00 43.32 H new ATOM 0 HA ALA A 58 -5.265 3.118 -2.402 1.00 71.30 H new ATOM 0 HB1 ALA A 58 -7.603 3.918 -2.564 1.00 33.44 H new ATOM 0 HB2 ALA A 58 -6.534 5.148 -1.849 1.00 33.44 H new ATOM 0 HB3 ALA A 58 -7.055 5.298 -3.544 1.00 33.44 H new ATOM 947 N LYS A 59 -5.895 3.586 -5.608 1.00 4.31 N ATOM 948 CA LYS A 59 -6.136 2.896 -6.880 1.00 21.33 C ATOM 949 C LYS A 59 -5.032 1.869 -7.185 1.00 44.34 C ATOM 950 O LYS A 59 -5.294 0.809 -7.759 1.00 3.32 O ATOM 951 CB LYS A 59 -6.217 3.920 -8.021 1.00 42.10 C ATOM 952 CG LYS A 59 -6.470 3.302 -9.393 1.00 72.20 C ATOM 953 CD LYS A 59 -6.396 4.343 -10.509 1.00 2.44 C ATOM 954 CE LYS A 59 -4.997 4.935 -10.652 1.00 11.44 C ATOM 955 NZ LYS A 59 -3.986 3.907 -11.025 1.00 73.31 N ATOM 0 H LYS A 59 -5.735 4.589 -5.702 1.00 4.31 H new ATOM 0 HA LYS A 59 -7.082 2.360 -6.795 1.00 21.33 H new ATOM 0 HB2 LYS A 59 -7.014 4.631 -7.802 1.00 42.10 H new ATOM 0 HB3 LYS A 59 -5.286 4.485 -8.055 1.00 42.10 H new ATOM 0 HG2 LYS A 59 -5.736 2.518 -9.579 1.00 72.20 H new ATOM 0 HG3 LYS A 59 -7.452 2.829 -9.403 1.00 72.20 H new ATOM 0 HD2 LYS A 59 -6.693 3.884 -11.452 1.00 2.44 H new ATOM 0 HD3 LYS A 59 -7.108 5.143 -10.306 1.00 2.44 H new ATOM 0 HE2 LYS A 59 -5.012 5.719 -11.409 1.00 11.44 H new ATOM 0 HE3 LYS A 59 -4.705 5.405 -9.713 1.00 11.44 H new ATOM 0 HZ1 LYS A 59 -3.097 4.376 -11.292 1.00 73.31 H new ATOM 0 HZ2 LYS A 59 -3.816 3.277 -10.215 1.00 73.31 H new ATOM 0 HZ3 LYS A 59 -4.338 3.349 -11.829 1.00 73.31 H new ATOM 969 N GLU A 60 -3.797 2.191 -6.807 1.00 44.25 N ATOM 970 CA GLU A 60 -2.660 1.305 -7.072 1.00 71.31 C ATOM 971 C GLU A 60 -2.773 0.006 -6.259 1.00 71.35 C ATOM 972 O GLU A 60 -2.538 -1.088 -6.777 1.00 44.33 O ATOM 973 CB GLU A 60 -1.337 2.023 -6.762 1.00 50.21 C ATOM 974 CG GLU A 60 -0.142 1.450 -7.514 1.00 4.43 C ATOM 975 CD GLU A 60 -0.304 1.584 -9.023 1.00 25.51 C ATOM 976 OE1 GLU A 60 0.082 2.638 -9.575 1.00 62.24 O ATOM 977 OE2 GLU A 60 -0.845 0.652 -9.657 1.00 61.52 O ATOM 0 H GLU A 60 -3.556 3.053 -6.319 1.00 44.25 H new ATOM 0 HA GLU A 60 -2.673 1.042 -8.130 1.00 71.31 H new ATOM 0 HB2 GLU A 60 -1.440 3.079 -7.010 1.00 50.21 H new ATOM 0 HB3 GLU A 60 -1.144 1.965 -5.691 1.00 50.21 H new ATOM 0 HG2 GLU A 60 0.766 1.964 -7.199 1.00 4.43 H new ATOM 0 HG3 GLU A 60 -0.019 0.399 -7.254 1.00 4.43 H new ATOM 984 N ALA A 61 -3.164 0.140 -4.991 1.00 65.40 N ATOM 985 CA ALA A 61 -3.345 -1.011 -4.096 1.00 32.12 C ATOM 986 C ALA A 61 -4.257 -2.086 -4.714 1.00 23.24 C ATOM 987 O ALA A 61 -3.983 -3.283 -4.604 1.00 43.33 O ATOM 988 CB ALA A 61 -3.903 -0.542 -2.755 1.00 23.35 C ATOM 0 H ALA A 61 -3.364 1.040 -4.555 1.00 65.40 H new ATOM 0 HA ALA A 61 -2.368 -1.470 -3.942 1.00 32.12 H new ATOM 0 HB1 ALA A 61 -4.035 -1.400 -2.096 1.00 23.35 H new ATOM 0 HB2 ALA A 61 -3.208 0.163 -2.298 1.00 23.35 H new ATOM 0 HB3 ALA A 61 -4.865 -0.054 -2.912 1.00 23.35 H new ATOM 994 N GLU A 62 -5.331 -1.654 -5.376 1.00 71.35 N ATOM 995 CA GLU A 62 -6.258 -2.580 -6.040 1.00 42.30 C ATOM 996 C GLU A 62 -5.559 -3.387 -7.148 1.00 3.22 C ATOM 997 O GLU A 62 -5.657 -4.616 -7.190 1.00 64.13 O ATOM 998 CB GLU A 62 -7.452 -1.810 -6.621 1.00 4.42 C ATOM 999 CG GLU A 62 -8.382 -1.224 -5.564 1.00 32.34 C ATOM 1000 CD GLU A 62 -9.082 -2.297 -4.739 1.00 72.15 C ATOM 1001 OE1 GLU A 62 -10.044 -2.909 -5.249 1.00 24.33 O ATOM 1002 OE2 GLU A 62 -8.674 -2.539 -3.584 1.00 52.31 O ATOM 0 H GLU A 62 -5.583 -0.670 -5.468 1.00 71.35 H new ATOM 0 HA GLU A 62 -6.615 -3.285 -5.289 1.00 42.30 H new ATOM 0 HB2 GLU A 62 -7.079 -1.002 -7.251 1.00 4.42 H new ATOM 0 HB3 GLU A 62 -8.024 -2.478 -7.265 1.00 4.42 H new ATOM 0 HG2 GLU A 62 -7.809 -0.577 -4.900 1.00 32.34 H new ATOM 0 HG3 GLU A 62 -9.131 -0.599 -6.051 1.00 32.34 H new ATOM 1009 N ARG A 63 -4.850 -2.692 -8.040 1.00 13.14 N ATOM 1010 CA ARG A 63 -4.067 -3.353 -9.096 1.00 33.21 C ATOM 1011 C ARG A 63 -3.075 -4.363 -8.499 1.00 41.50 C ATOM 1012 O ARG A 63 -3.035 -5.529 -8.904 1.00 74.05 O ATOM 1013 CB ARG A 63 -3.301 -2.310 -9.924 1.00 15.21 C ATOM 1014 CG ARG A 63 -2.280 -2.919 -10.884 1.00 42.13 C ATOM 1015 CD ARG A 63 -1.485 -1.850 -11.625 1.00 4.12 C ATOM 1016 NE ARG A 63 -2.317 -1.078 -12.544 1.00 2.40 N ATOM 1017 CZ ARG A 63 -2.088 0.164 -12.882 1.00 11.12 C ATOM 1018 NH1 ARG A 63 -1.148 0.850 -12.303 1.00 52.24 N ATOM 1019 NH2 ARG A 63 -2.833 0.733 -13.773 1.00 12.10 N ATOM 0 H ARG A 63 -4.799 -1.673 -8.056 1.00 13.14 H new ATOM 0 HA ARG A 63 -4.763 -3.889 -9.741 1.00 33.21 H new ATOM 0 HB2 ARG A 63 -4.015 -1.717 -10.495 1.00 15.21 H new ATOM 0 HB3 ARG A 63 -2.788 -1.627 -9.247 1.00 15.21 H new ATOM 0 HG2 ARG A 63 -1.596 -3.559 -10.327 1.00 42.13 H new ATOM 0 HG3 ARG A 63 -2.794 -3.554 -11.606 1.00 42.13 H new ATOM 0 HD2 ARG A 63 -1.025 -1.176 -10.902 1.00 4.12 H new ATOM 0 HD3 ARG A 63 -0.675 -2.323 -12.181 1.00 4.12 H new ATOM 0 HE ARG A 63 -3.132 -1.539 -12.949 1.00 2.40 H new ATOM 0 HH11 ARG A 63 -0.578 0.420 -11.575 1.00 52.24 H new ATOM 0 HH12 ARG A 63 -0.981 1.818 -12.577 1.00 52.24 H new ATOM 0 HH21 ARG A 63 -3.595 0.213 -14.208 1.00 12.10 H new ATOM 0 HH22 ARG A 63 -2.659 1.702 -14.040 1.00 12.10 H new ATOM 1033 N LEU A 64 -2.287 -3.897 -7.529 1.00 4.31 N ATOM 1034 CA LEU A 64 -1.285 -4.726 -6.854 1.00 10.53 C ATOM 1035 C LEU A 64 -1.914 -5.991 -6.255 1.00 0.34 C ATOM 1036 O LEU A 64 -1.354 -7.081 -6.342 1.00 14.01 O ATOM 1037 CB LEU A 64 -0.603 -3.905 -5.750 1.00 32.11 C ATOM 1038 CG LEU A 64 0.128 -2.642 -6.235 1.00 24.15 C ATOM 1039 CD1 LEU A 64 0.624 -1.809 -5.055 1.00 31.31 C ATOM 1040 CD2 LEU A 64 1.284 -3.014 -7.160 1.00 14.33 C ATOM 0 H LEU A 64 -2.324 -2.936 -7.189 1.00 4.31 H new ATOM 0 HA LEU A 64 -0.546 -5.040 -7.592 1.00 10.53 H new ATOM 0 HB2 LEU A 64 -1.356 -3.612 -5.019 1.00 32.11 H new ATOM 0 HB3 LEU A 64 0.112 -4.544 -5.232 1.00 32.11 H new ATOM 0 HG LEU A 64 -0.581 -2.035 -6.798 1.00 24.15 H new ATOM 0 HD11 LEU A 64 1.137 -0.922 -5.426 1.00 31.31 H new ATOM 0 HD12 LEU A 64 -0.224 -1.507 -4.441 1.00 31.31 H new ATOM 0 HD13 LEU A 64 1.314 -2.403 -4.455 1.00 31.31 H new ATOM 0 HD21 LEU A 64 1.790 -2.108 -7.493 1.00 14.33 H new ATOM 0 HD22 LEU A 64 1.990 -3.647 -6.623 1.00 14.33 H new ATOM 0 HD23 LEU A 64 0.899 -3.553 -8.025 1.00 14.33 H new ATOM 1052 N ALA A 65 -3.090 -5.837 -5.660 1.00 34.32 N ATOM 1053 CA ALA A 65 -3.802 -6.960 -5.051 1.00 34.50 C ATOM 1054 C ALA A 65 -4.230 -8.011 -6.090 1.00 23.44 C ATOM 1055 O ALA A 65 -3.953 -9.204 -5.943 1.00 33.02 O ATOM 1056 CB ALA A 65 -5.019 -6.447 -4.291 1.00 2.53 C ATOM 0 H ALA A 65 -3.575 -4.943 -5.585 1.00 34.32 H new ATOM 0 HA ALA A 65 -3.115 -7.450 -4.361 1.00 34.50 H new ATOM 0 HB1 ALA A 65 -5.546 -7.287 -3.839 1.00 2.53 H new ATOM 0 HB2 ALA A 65 -4.697 -5.758 -3.510 1.00 2.53 H new ATOM 0 HB3 ALA A 65 -5.686 -5.928 -4.980 1.00 2.53 H new ATOM 1062 N LYS A 66 -4.887 -7.556 -7.151 1.00 34.34 N ATOM 1063 CA LYS A 66 -5.509 -8.459 -8.126 1.00 1.53 C ATOM 1064 C LYS A 66 -4.491 -9.348 -8.860 1.00 4.13 C ATOM 1065 O LYS A 66 -4.548 -10.575 -8.760 1.00 61.34 O ATOM 1066 CB LYS A 66 -6.334 -7.655 -9.139 1.00 50.21 C ATOM 1067 CG LYS A 66 -7.436 -6.782 -8.523 1.00 60.14 C ATOM 1068 CD LYS A 66 -8.460 -7.587 -7.711 1.00 23.12 C ATOM 1069 CE LYS A 66 -8.053 -7.744 -6.246 1.00 4.03 C ATOM 1070 NZ LYS A 66 -9.023 -8.573 -5.485 1.00 52.14 N ATOM 0 H LYS A 66 -5.006 -6.565 -7.363 1.00 34.34 H new ATOM 0 HA LYS A 66 -6.161 -9.127 -7.563 1.00 1.53 H new ATOM 0 HB2 LYS A 66 -5.660 -7.016 -9.710 1.00 50.21 H new ATOM 0 HB3 LYS A 66 -6.791 -8.348 -9.846 1.00 50.21 H new ATOM 0 HG2 LYS A 66 -6.979 -6.032 -7.878 1.00 60.14 H new ATOM 0 HG3 LYS A 66 -7.953 -6.246 -9.318 1.00 60.14 H new ATOM 0 HD2 LYS A 66 -9.430 -7.093 -7.764 1.00 23.12 H new ATOM 0 HD3 LYS A 66 -8.580 -8.573 -8.159 1.00 23.12 H new ATOM 0 HE2 LYS A 66 -7.065 -8.200 -6.191 1.00 4.03 H new ATOM 0 HE3 LYS A 66 -7.976 -6.760 -5.784 1.00 4.03 H new ATOM 0 HZ1 LYS A 66 -8.710 -8.654 -4.497 1.00 52.14 H new ATOM 0 HZ2 LYS A 66 -9.961 -8.125 -5.515 1.00 52.14 H new ATOM 0 HZ3 LYS A 66 -9.078 -9.521 -5.910 1.00 52.14 H new ATOM 1084 N GLU A 67 -3.552 -8.736 -9.581 1.00 72.15 N ATOM 1085 CA GLU A 67 -2.637 -9.501 -10.444 1.00 43.20 C ATOM 1086 C GLU A 67 -1.543 -10.238 -9.654 1.00 52.14 C ATOM 1087 O GLU A 67 -0.890 -11.138 -10.186 1.00 1.04 O ATOM 1088 CB GLU A 67 -2.014 -8.593 -11.515 1.00 52.32 C ATOM 1089 CG GLU A 67 -1.266 -7.378 -10.974 1.00 50.14 C ATOM 1090 CD GLU A 67 -0.749 -6.479 -12.088 1.00 64.54 C ATOM 1091 OE1 GLU A 67 -1.559 -5.730 -12.679 1.00 3.41 O ATOM 1092 OE2 GLU A 67 0.461 -6.535 -12.399 1.00 11.12 O ATOM 0 H GLU A 67 -3.401 -7.727 -9.589 1.00 72.15 H new ATOM 0 HA GLU A 67 -3.238 -10.267 -10.933 1.00 43.20 H new ATOM 0 HB2 GLU A 67 -1.326 -9.186 -12.117 1.00 52.32 H new ATOM 0 HB3 GLU A 67 -2.804 -8.247 -12.181 1.00 52.32 H new ATOM 0 HG2 GLU A 67 -1.928 -6.805 -10.325 1.00 50.14 H new ATOM 0 HG3 GLU A 67 -0.429 -7.712 -10.361 1.00 50.14 H new ATOM 1099 N PHE A 68 -1.338 -9.867 -8.393 1.00 41.24 N ATOM 1100 CA PHE A 68 -0.355 -10.553 -7.541 1.00 13.14 C ATOM 1101 C PHE A 68 -1.023 -11.556 -6.584 1.00 53.32 C ATOM 1102 O PHE A 68 -0.371 -12.119 -5.705 1.00 72.31 O ATOM 1103 CB PHE A 68 0.480 -9.530 -6.767 1.00 64.13 C ATOM 1104 CG PHE A 68 1.402 -8.731 -7.657 1.00 5.15 C ATOM 1105 CD1 PHE A 68 2.588 -9.288 -8.106 1.00 62.13 C ATOM 1106 CD2 PHE A 68 1.083 -7.438 -8.053 1.00 2.54 C ATOM 1107 CE1 PHE A 68 3.434 -8.580 -8.930 1.00 44.31 C ATOM 1108 CE2 PHE A 68 1.930 -6.723 -8.878 1.00 33.23 C ATOM 1109 CZ PHE A 68 3.106 -7.294 -9.317 1.00 13.45 C ATOM 0 H PHE A 68 -1.833 -9.101 -7.936 1.00 41.24 H new ATOM 0 HA PHE A 68 0.306 -11.126 -8.191 1.00 13.14 H new ATOM 0 HB2 PHE A 68 -0.187 -8.849 -6.239 1.00 64.13 H new ATOM 0 HB3 PHE A 68 1.071 -10.048 -6.011 1.00 64.13 H new ATOM 0 HD1 PHE A 68 2.853 -10.291 -7.806 1.00 62.13 H new ATOM 0 HD2 PHE A 68 0.163 -6.987 -7.712 1.00 2.54 H new ATOM 0 HE1 PHE A 68 4.354 -9.029 -9.274 1.00 44.31 H new ATOM 0 HE2 PHE A 68 1.671 -5.718 -9.179 1.00 33.23 H new ATOM 0 HZ PHE A 68 3.770 -6.737 -9.962 1.00 13.45 H new ATOM 1119 N ASN A 69 -2.325 -11.784 -6.784 1.00 24.24 N ATOM 1120 CA ASN A 69 -3.084 -12.816 -6.053 1.00 54.42 C ATOM 1121 C ASN A 69 -3.088 -12.580 -4.529 1.00 12.41 C ATOM 1122 O ASN A 69 -3.081 -13.532 -3.742 1.00 75.33 O ATOM 1123 CB ASN A 69 -2.521 -14.214 -6.359 1.00 55.14 C ATOM 1124 CG ASN A 69 -2.271 -14.431 -7.842 1.00 31.22 C ATOM 1125 OD1 ASN A 69 -3.175 -14.773 -8.599 1.00 21.35 O ATOM 1126 ND2 ASN A 69 -1.035 -14.262 -8.261 1.00 12.10 N ATOM 0 H ASN A 69 -2.887 -11.261 -7.456 1.00 24.24 H new ATOM 0 HA ASN A 69 -4.116 -12.750 -6.398 1.00 54.42 H new ATOM 0 HB2 ASN A 69 -1.588 -14.354 -5.813 1.00 55.14 H new ATOM 0 HB3 ASN A 69 -3.218 -14.970 -5.997 1.00 55.14 H new ATOM 0 HD21 ASN A 69 -0.804 -14.416 -9.242 1.00 12.10 H new ATOM 0 HD22 ASN A 69 -0.308 -13.977 -7.604 1.00 12.10 H new ATOM 1133 N ILE A 70 -3.130 -11.317 -4.118 1.00 32.43 N ATOM 1134 CA ILE A 70 -3.149 -10.968 -2.688 1.00 32.02 C ATOM 1135 C ILE A 70 -4.337 -10.052 -2.343 1.00 40.52 C ATOM 1136 O ILE A 70 -4.800 -9.272 -3.171 1.00 64.20 O ATOM 1137 CB ILE A 70 -1.822 -10.287 -2.246 1.00 2.42 C ATOM 1138 CG1 ILE A 70 -1.527 -9.048 -3.109 1.00 4.11 C ATOM 1139 CG2 ILE A 70 -0.663 -11.278 -2.315 1.00 24.31 C ATOM 1140 CD1 ILE A 70 -0.225 -8.344 -2.767 1.00 64.33 C ATOM 0 H ILE A 70 -3.152 -10.515 -4.747 1.00 32.43 H new ATOM 0 HA ILE A 70 -3.260 -11.905 -2.143 1.00 32.02 H new ATOM 0 HB ILE A 70 -1.936 -9.960 -1.212 1.00 2.42 H new ATOM 0 HG12 ILE A 70 -1.500 -9.347 -4.157 1.00 4.11 H new ATOM 0 HG13 ILE A 70 -2.349 -8.340 -3.001 1.00 4.11 H new ATOM 0 HG21 ILE A 70 0.257 -10.784 -2.002 1.00 24.31 H new ATOM 0 HG22 ILE A 70 -0.865 -12.121 -1.654 1.00 24.31 H new ATOM 0 HG23 ILE A 70 -0.552 -11.638 -3.338 1.00 24.31 H new ATOM 0 HD11 ILE A 70 -0.094 -7.482 -3.422 1.00 64.33 H new ATOM 0 HD12 ILE A 70 -0.253 -8.010 -1.730 1.00 64.33 H new ATOM 0 HD13 ILE A 70 0.608 -9.033 -2.904 1.00 64.33 H new ATOM 1152 N THR A 71 -4.836 -10.168 -1.117 1.00 4.54 N ATOM 1153 CA THR A 71 -5.954 -9.338 -0.642 1.00 43.01 C ATOM 1154 C THR A 71 -5.440 -8.015 -0.063 1.00 33.23 C ATOM 1155 O THR A 71 -4.429 -7.997 0.634 1.00 30.40 O ATOM 1156 CB THR A 71 -6.763 -10.069 0.464 1.00 31.34 C ATOM 1157 OG1 THR A 71 -7.017 -11.431 0.081 1.00 14.54 O ATOM 1158 CG2 THR A 71 -8.092 -9.366 0.730 1.00 62.23 C ATOM 0 H THR A 71 -4.486 -10.831 -0.425 1.00 4.54 H new ATOM 0 HA THR A 71 -6.597 -9.146 -1.501 1.00 43.01 H new ATOM 0 HB THR A 71 -6.166 -10.050 1.376 1.00 31.34 H new ATOM 0 HG1 THR A 71 -7.526 -11.880 0.788 1.00 14.54 H new ATOM 0 HG21 THR A 71 -8.637 -9.900 1.509 1.00 62.23 H new ATOM 0 HG22 THR A 71 -7.904 -8.343 1.055 1.00 62.23 H new ATOM 0 HG23 THR A 71 -8.686 -9.353 -0.184 1.00 62.23 H new ATOM 1166 N VAL A 72 -6.125 -6.903 -0.334 1.00 63.40 N ATOM 1167 CA VAL A 72 -5.713 -5.610 0.235 1.00 14.40 C ATOM 1168 C VAL A 72 -6.860 -4.906 0.985 1.00 32.23 C ATOM 1169 O VAL A 72 -7.930 -4.642 0.428 1.00 63.42 O ATOM 1170 CB VAL A 72 -5.130 -4.656 -0.845 1.00 14.32 C ATOM 1171 CG1 VAL A 72 -6.182 -4.272 -1.887 1.00 54.23 C ATOM 1172 CG2 VAL A 72 -4.530 -3.413 -0.191 1.00 44.32 C ATOM 0 H VAL A 72 -6.951 -6.865 -0.931 1.00 63.40 H new ATOM 0 HA VAL A 72 -4.928 -5.842 0.954 1.00 14.40 H new ATOM 0 HB VAL A 72 -4.337 -5.190 -1.368 1.00 14.32 H new ATOM 0 HG11 VAL A 72 -5.737 -3.605 -2.625 1.00 54.23 H new ATOM 0 HG12 VAL A 72 -6.547 -5.171 -2.384 1.00 54.23 H new ATOM 0 HG13 VAL A 72 -7.013 -3.767 -1.396 1.00 54.23 H new ATOM 0 HG21 VAL A 72 -4.126 -2.756 -0.961 1.00 44.32 H new ATOM 0 HG22 VAL A 72 -5.304 -2.886 0.367 1.00 44.32 H new ATOM 0 HG23 VAL A 72 -3.731 -3.709 0.489 1.00 44.32 H new ATOM 1182 N THR A 73 -6.627 -4.622 2.264 1.00 43.12 N ATOM 1183 CA THR A 73 -7.574 -3.860 3.091 1.00 4.22 C ATOM 1184 C THR A 73 -6.906 -2.592 3.641 1.00 1.22 C ATOM 1185 O THR A 73 -5.891 -2.669 4.338 1.00 21.51 O ATOM 1186 CB THR A 73 -8.123 -4.701 4.276 1.00 13.03 C ATOM 1187 OG1 THR A 73 -7.052 -5.107 5.148 1.00 73.11 O ATOM 1188 CG2 THR A 73 -8.865 -5.939 3.780 1.00 51.05 C ATOM 0 H THR A 73 -5.783 -4.909 2.759 1.00 43.12 H new ATOM 0 HA THR A 73 -8.411 -3.591 2.447 1.00 4.22 H new ATOM 0 HB THR A 73 -8.821 -4.071 4.827 1.00 13.03 H new ATOM 0 HG1 THR A 73 -6.314 -4.466 5.080 1.00 73.11 H new ATOM 0 HG21 THR A 73 -9.237 -6.506 4.633 1.00 51.05 H new ATOM 0 HG22 THR A 73 -9.703 -5.634 3.154 1.00 51.05 H new ATOM 0 HG23 THR A 73 -8.185 -6.562 3.198 1.00 51.05 H new ATOM 1196 N TYR A 74 -7.472 -1.430 3.333 1.00 52.22 N ATOM 1197 CA TYR A 74 -6.871 -0.149 3.724 1.00 22.31 C ATOM 1198 C TYR A 74 -7.810 0.714 4.586 1.00 10.55 C ATOM 1199 O TYR A 74 -9.026 0.736 4.389 1.00 72.11 O ATOM 1200 CB TYR A 74 -6.402 0.631 2.478 1.00 75.44 C ATOM 1201 CG TYR A 74 -7.262 0.438 1.236 1.00 61.51 C ATOM 1202 CD1 TYR A 74 -8.526 1.011 1.131 1.00 40.34 C ATOM 1203 CD2 TYR A 74 -6.794 -0.313 0.157 1.00 13.01 C ATOM 1204 CE1 TYR A 74 -9.297 0.839 -0.006 1.00 64.10 C ATOM 1205 CE2 TYR A 74 -7.560 -0.487 -0.979 1.00 45.05 C ATOM 1206 CZ TYR A 74 -8.808 0.089 -1.056 1.00 12.44 C ATOM 1207 OH TYR A 74 -9.568 -0.081 -2.194 1.00 3.12 O ATOM 0 H TYR A 74 -8.346 -1.343 2.814 1.00 52.22 H new ATOM 0 HA TYR A 74 -6.006 -0.383 4.345 1.00 22.31 H new ATOM 0 HB2 TYR A 74 -6.375 1.693 2.722 1.00 75.44 H new ATOM 0 HB3 TYR A 74 -5.380 0.332 2.244 1.00 75.44 H new ATOM 0 HD1 TYR A 74 -8.912 1.600 1.950 1.00 40.34 H new ATOM 0 HD2 TYR A 74 -5.815 -0.766 0.211 1.00 13.01 H new ATOM 0 HE1 TYR A 74 -10.276 1.290 -0.071 1.00 64.10 H new ATOM 0 HE2 TYR A 74 -7.181 -1.073 -1.804 1.00 45.05 H new ATOM 0 HH TYR A 74 -9.367 -0.952 -2.595 1.00 3.12 H new ATOM 1217 N THR A 75 -7.221 1.412 5.555 1.00 21.30 N ATOM 1218 CA THR A 75 -7.951 2.321 6.447 1.00 34.33 C ATOM 1219 C THR A 75 -7.369 3.740 6.367 1.00 4.54 C ATOM 1220 O THR A 75 -6.188 3.954 6.639 1.00 62.00 O ATOM 1221 CB THR A 75 -7.896 1.831 7.918 1.00 64.45 C ATOM 1222 OG1 THR A 75 -8.526 0.543 8.034 1.00 62.45 O ATOM 1223 CG2 THR A 75 -8.582 2.815 8.861 1.00 75.05 C ATOM 0 H THR A 75 -6.220 1.365 5.747 1.00 21.30 H new ATOM 0 HA THR A 75 -8.990 2.334 6.118 1.00 34.33 H new ATOM 0 HB THR A 75 -6.846 1.757 8.202 1.00 64.45 H new ATOM 0 HG1 THR A 75 -8.485 0.241 8.966 1.00 62.45 H new ATOM 0 HG21 THR A 75 -8.525 2.440 9.883 1.00 75.05 H new ATOM 0 HG22 THR A 75 -8.085 3.783 8.801 1.00 75.05 H new ATOM 0 HG23 THR A 75 -9.628 2.926 8.573 1.00 75.05 H new ATOM 1231 N ILE A 76 -8.194 4.710 5.975 1.00 42.24 N ATOM 1232 CA ILE A 76 -7.739 6.099 5.827 1.00 61.03 C ATOM 1233 C ILE A 76 -8.501 7.044 6.771 1.00 70.30 C ATOM 1234 O ILE A 76 -9.690 6.847 7.044 1.00 34.41 O ATOM 1235 CB ILE A 76 -7.906 6.591 4.362 1.00 25.43 C ATOM 1236 CG1 ILE A 76 -7.144 5.663 3.395 1.00 42.44 C ATOM 1237 CG2 ILE A 76 -7.428 8.040 4.211 1.00 21.42 C ATOM 1238 CD1 ILE A 76 -7.225 6.083 1.941 1.00 51.41 C ATOM 0 H ILE A 76 -9.179 4.564 5.754 1.00 42.24 H new ATOM 0 HA ILE A 76 -6.682 6.116 6.091 1.00 61.03 H new ATOM 0 HB ILE A 76 -8.966 6.560 4.110 1.00 25.43 H new ATOM 0 HG12 ILE A 76 -6.096 5.626 3.694 1.00 42.44 H new ATOM 0 HG13 ILE A 76 -7.539 4.652 3.492 1.00 42.44 H new ATOM 0 HG21 ILE A 76 -7.556 8.359 3.177 1.00 21.42 H new ATOM 0 HG22 ILE A 76 -8.013 8.686 4.865 1.00 21.42 H new ATOM 0 HG23 ILE A 76 -6.375 8.106 4.484 1.00 21.42 H new ATOM 0 HD11 ILE A 76 -6.663 5.379 1.327 1.00 51.41 H new ATOM 0 HD12 ILE A 76 -8.267 6.091 1.622 1.00 51.41 H new ATOM 0 HD13 ILE A 76 -6.803 7.081 1.827 1.00 51.41 H new ATOM 1250 N ARG A 77 -7.806 8.059 7.279 1.00 5.20 N ATOM 1251 CA ARG A 77 -8.430 9.086 8.118 1.00 43.23 C ATOM 1252 C ARG A 77 -8.208 10.492 7.545 1.00 74.32 C ATOM 1253 O ARG A 77 -7.090 11.007 7.543 1.00 71.02 O ATOM 1254 CB ARG A 77 -7.895 9.012 9.558 1.00 42.31 C ATOM 1255 CG ARG A 77 -8.462 7.847 10.361 1.00 33.31 C ATOM 1256 CD ARG A 77 -9.984 7.920 10.438 1.00 2.53 C ATOM 1257 NE ARG A 77 -10.565 6.801 11.173 1.00 44.42 N ATOM 1258 CZ ARG A 77 -11.244 5.835 10.618 1.00 32.33 C ATOM 1259 NH1 ARG A 77 -11.356 5.756 9.329 1.00 71.53 N ATOM 1260 NH2 ARG A 77 -11.789 4.929 11.355 1.00 54.24 N ATOM 0 H ARG A 77 -6.807 8.195 7.125 1.00 5.20 H new ATOM 0 HA ARG A 77 -9.502 8.890 8.129 1.00 43.23 H new ATOM 0 HB2 ARG A 77 -6.809 8.928 9.529 1.00 42.31 H new ATOM 0 HB3 ARG A 77 -8.129 9.944 10.072 1.00 42.31 H new ATOM 0 HG2 ARG A 77 -8.163 6.905 9.901 1.00 33.31 H new ATOM 0 HG3 ARG A 77 -8.043 7.857 11.367 1.00 33.31 H new ATOM 0 HD2 ARG A 77 -10.275 8.855 10.917 1.00 2.53 H new ATOM 0 HD3 ARG A 77 -10.394 7.938 9.428 1.00 2.53 H new ATOM 0 HE ARG A 77 -10.432 6.772 12.184 1.00 44.42 H new ATOM 0 HH11 ARG A 77 -10.910 6.455 8.735 1.00 71.53 H new ATOM 0 HH12 ARG A 77 -11.890 4.995 8.909 1.00 71.53 H new ATOM 0 HH21 ARG A 77 -11.689 4.968 12.369 1.00 54.24 H new ATOM 0 HH22 ARG A 77 -12.320 4.173 10.924 1.00 54.24 H new ATOM 1274 N LEU A 78 -9.282 11.103 7.053 1.00 40.12 N ATOM 1275 CA LEU A 78 -9.238 12.484 6.561 1.00 65.55 C ATOM 1276 C LEU A 78 -10.151 13.387 7.395 1.00 12.32 C ATOM 1277 O LEU A 78 -11.375 13.242 7.374 1.00 4.10 O ATOM 1278 CB LEU A 78 -9.644 12.547 5.077 1.00 31.43 C ATOM 1279 CG LEU A 78 -9.832 13.968 4.503 1.00 0.44 C ATOM 1280 CD1 LEU A 78 -8.574 14.814 4.696 1.00 24.12 C ATOM 1281 CD2 LEU A 78 -10.223 13.905 3.029 1.00 71.23 C ATOM 0 H LEU A 78 -10.200 10.664 6.983 1.00 40.12 H new ATOM 0 HA LEU A 78 -8.213 12.842 6.657 1.00 65.55 H new ATOM 0 HB2 LEU A 78 -8.885 12.033 4.488 1.00 31.43 H new ATOM 0 HB3 LEU A 78 -10.575 11.995 4.949 1.00 31.43 H new ATOM 0 HG LEU A 78 -10.642 14.448 5.053 1.00 0.44 H new ATOM 0 HD11 LEU A 78 -8.737 15.809 4.282 1.00 24.12 H new ATOM 0 HD12 LEU A 78 -8.350 14.896 5.760 1.00 24.12 H new ATOM 0 HD13 LEU A 78 -7.736 14.341 4.184 1.00 24.12 H new ATOM 0 HD21 LEU A 78 -10.351 14.916 2.643 1.00 71.23 H new ATOM 0 HD22 LEU A 78 -9.439 13.398 2.466 1.00 71.23 H new ATOM 0 HD23 LEU A 78 -11.159 13.356 2.924 1.00 71.23 H new ATOM 1293 N GLU A 79 -9.547 14.314 8.134 1.00 42.45 N ATOM 1294 CA GLU A 79 -10.297 15.269 8.949 1.00 63.12 C ATOM 1295 C GLU A 79 -11.083 16.247 8.060 1.00 54.42 C ATOM 1296 O GLU A 79 -10.543 17.245 7.573 1.00 63.23 O ATOM 1297 CB GLU A 79 -9.335 16.027 9.876 1.00 32.44 C ATOM 1298 CG GLU A 79 -10.005 17.049 10.788 1.00 74.12 C ATOM 1299 CD GLU A 79 -9.006 17.778 11.670 1.00 34.11 C ATOM 1300 OE1 GLU A 79 -8.401 18.766 11.203 1.00 24.32 O ATOM 1301 OE2 GLU A 79 -8.800 17.351 12.827 1.00 3.14 O ATOM 0 H GLU A 79 -8.534 14.425 8.186 1.00 42.45 H new ATOM 0 HA GLU A 79 -11.017 14.723 9.559 1.00 63.12 H new ATOM 0 HB2 GLU A 79 -8.801 15.304 10.493 1.00 32.44 H new ATOM 0 HB3 GLU A 79 -8.590 16.538 9.266 1.00 32.44 H new ATOM 0 HG2 GLU A 79 -10.547 17.774 10.181 1.00 74.12 H new ATOM 0 HG3 GLU A 79 -10.740 16.546 11.415 1.00 74.12 H new ATOM 1308 N HIS A 80 -12.355 15.932 7.826 1.00 41.31 N ATOM 1309 CA HIS A 80 -13.217 16.760 6.977 1.00 70.33 C ATOM 1310 C HIS A 80 -14.410 17.317 7.768 1.00 64.30 C ATOM 1311 O HIS A 80 -15.139 16.574 8.428 1.00 42.24 O ATOM 1312 CB HIS A 80 -13.700 15.959 5.757 1.00 42.32 C ATOM 1313 CG HIS A 80 -14.420 14.685 6.096 1.00 54.33 C ATOM 1314 ND1 HIS A 80 -13.781 13.472 6.227 1.00 64.11 N ATOM 1315 CD2 HIS A 80 -15.735 14.435 6.318 1.00 34.04 C ATOM 1316 CE1 HIS A 80 -14.662 12.536 6.510 1.00 14.21 C ATOM 1317 NE2 HIS A 80 -15.853 13.093 6.575 1.00 3.51 N ATOM 0 H HIS A 80 -12.815 15.108 8.212 1.00 41.31 H new ATOM 0 HA HIS A 80 -12.628 17.607 6.625 1.00 70.33 H new ATOM 0 HB2 HIS A 80 -14.362 16.589 5.163 1.00 42.32 H new ATOM 0 HB3 HIS A 80 -12.840 15.721 5.131 1.00 42.32 H new ATOM 0 HD1 HIS A 80 -12.778 13.322 6.121 1.00 64.11 H new ATOM 0 HD2 HIS A 80 -16.538 15.157 6.296 1.00 34.04 H new ATOM 0 HE1 HIS A 80 -14.445 11.489 6.663 1.00 14.21 H new ATOM 1326 N HIS A 81 -14.605 18.626 7.686 1.00 71.05 N ATOM 1327 CA HIS A 81 -15.668 19.305 8.428 1.00 11.11 C ATOM 1328 C HIS A 81 -17.032 19.132 7.740 1.00 13.03 C ATOM 1329 O HIS A 81 -17.123 19.145 6.510 1.00 21.12 O ATOM 1330 CB HIS A 81 -15.324 20.794 8.556 1.00 64.54 C ATOM 1331 CG HIS A 81 -16.286 21.577 9.394 1.00 44.14 C ATOM 1332 ND1 HIS A 81 -16.203 21.647 10.768 1.00 2.32 N ATOM 1333 CD2 HIS A 81 -17.351 22.334 9.046 1.00 23.11 C ATOM 1334 CE1 HIS A 81 -17.172 22.411 11.227 1.00 53.21 C ATOM 1335 NE2 HIS A 81 -17.882 22.839 10.203 1.00 42.23 N ATOM 0 H HIS A 81 -14.038 19.247 7.109 1.00 71.05 H new ATOM 0 HA HIS A 81 -15.740 18.856 9.419 1.00 11.11 H new ATOM 0 HB2 HIS A 81 -14.326 20.889 8.984 1.00 64.54 H new ATOM 0 HB3 HIS A 81 -15.287 21.234 7.559 1.00 64.54 H new ATOM 0 HD2 HIS A 81 -17.715 22.508 8.044 1.00 23.11 H new ATOM 0 HE1 HIS A 81 -17.354 22.647 12.265 1.00 53.21 H new ATOM 0 HE2 HIS A 81 -18.697 23.449 10.262 1.00 42.23 H new ATOM 1344 N HIS A 82 -18.091 18.970 8.539 1.00 53.23 N ATOM 1345 CA HIS A 82 -19.452 18.882 8.002 1.00 24.33 C ATOM 1346 C HIS A 82 -19.845 20.197 7.313 1.00 62.34 C ATOM 1347 O HIS A 82 -19.991 21.233 7.962 1.00 23.13 O ATOM 1348 CB HIS A 82 -20.456 18.533 9.110 1.00 14.43 C ATOM 1349 CG HIS A 82 -20.240 17.171 9.702 1.00 4.51 C ATOM 1350 ND1 HIS A 82 -19.674 16.967 10.939 1.00 45.10 N ATOM 1351 CD2 HIS A 82 -20.526 15.938 9.219 1.00 43.32 C ATOM 1352 CE1 HIS A 82 -19.618 15.676 11.191 1.00 33.24 C ATOM 1353 NE2 HIS A 82 -20.127 15.027 10.165 1.00 13.33 N ATOM 0 H HIS A 82 -18.033 18.897 9.555 1.00 53.23 H new ATOM 0 HA HIS A 82 -19.474 18.083 7.261 1.00 24.33 H new ATOM 0 HB2 HIS A 82 -20.387 19.280 9.901 1.00 14.43 H new ATOM 0 HB3 HIS A 82 -21.467 18.589 8.705 1.00 14.43 H new ATOM 0 HD2 HIS A 82 -20.983 15.714 8.267 1.00 43.32 H new ATOM 0 HE1 HIS A 82 -19.221 15.225 12.089 1.00 33.24 H new ATOM 0 HE2 HIS A 82 -20.211 14.014 10.086 1.00 13.33 H new ATOM 1362 N HIS A 83 -20.015 20.138 5.998 1.00 34.44 N ATOM 1363 CA HIS A 83 -20.196 21.342 5.175 1.00 32.12 C ATOM 1364 C HIS A 83 -21.525 22.059 5.458 1.00 41.12 C ATOM 1365 O HIS A 83 -21.583 23.290 5.464 1.00 4.33 O ATOM 1366 CB HIS A 83 -20.109 20.973 3.692 1.00 21.23 C ATOM 1367 CG HIS A 83 -18.869 20.203 3.345 1.00 74.41 C ATOM 1368 ND1 HIS A 83 -17.598 20.691 3.553 1.00 30.55 N ATOM 1369 CD2 HIS A 83 -18.707 18.961 2.827 1.00 2.43 C ATOM 1370 CE1 HIS A 83 -16.714 19.788 3.182 1.00 60.31 C ATOM 1371 NE2 HIS A 83 -17.356 18.728 2.737 1.00 23.11 N ATOM 0 H HIS A 83 -20.032 19.266 5.469 1.00 34.44 H new ATOM 0 HA HIS A 83 -19.396 22.035 5.437 1.00 32.12 H new ATOM 0 HB2 HIS A 83 -20.984 20.382 3.420 1.00 21.23 H new ATOM 0 HB3 HIS A 83 -20.142 21.884 3.095 1.00 21.23 H new ATOM 0 HD2 HIS A 83 -19.494 18.280 2.538 1.00 2.43 H new ATOM 0 HE1 HIS A 83 -15.641 19.899 3.234 1.00 60.31 H new ATOM 0 HE2 HIS A 83 -16.922 17.875 2.384 1.00 23.11 H new ATOM 1380 N HIS A 84 -22.590 21.292 5.677 1.00 14.00 N ATOM 1381 CA HIS A 84 -23.917 21.870 5.939 1.00 72.14 C ATOM 1382 C HIS A 84 -24.499 21.382 7.275 1.00 13.03 C ATOM 1383 O HIS A 84 -24.033 20.392 7.846 1.00 3.31 O ATOM 1384 CB HIS A 84 -24.879 21.526 4.794 1.00 62.23 C ATOM 1385 CG HIS A 84 -24.422 22.029 3.457 1.00 64.10 C ATOM 1386 ND1 HIS A 84 -23.679 21.269 2.575 1.00 4.23 N ATOM 1387 CD2 HIS A 84 -24.604 23.226 2.851 1.00 14.15 C ATOM 1388 CE1 HIS A 84 -23.426 21.975 1.492 1.00 2.32 C ATOM 1389 NE2 HIS A 84 -23.975 23.162 1.634 1.00 1.44 N ATOM 0 H HIS A 84 -22.567 20.272 5.680 1.00 14.00 H new ATOM 0 HA HIS A 84 -23.797 22.952 6.003 1.00 72.14 H new ATOM 0 HB2 HIS A 84 -25.000 20.444 4.744 1.00 62.23 H new ATOM 0 HB3 HIS A 84 -25.860 21.946 5.016 1.00 62.23 H new ATOM 0 HD2 HIS A 84 -25.143 24.072 3.251 1.00 14.15 H new ATOM 0 HE1 HIS A 84 -22.864 21.637 0.634 1.00 2.32 H new ATOM 0 HE2 HIS A 84 -23.939 23.916 0.948 1.00 1.44 H new ATOM 1398 N HIS A 85 -25.521 22.084 7.766 1.00 71.15 N ATOM 1399 CA HIS A 85 -26.216 21.692 9.000 1.00 4.25 C ATOM 1400 C HIS A 85 -27.174 20.505 8.764 1.00 42.20 C ATOM 1401 O HIS A 85 -28.324 20.736 8.321 1.00 38.49 O ATOM 1402 CB HIS A 85 -26.988 22.884 9.582 1.00 22.41 C ATOM 1403 CG HIS A 85 -26.110 23.993 10.074 1.00 54.11 C ATOM 1404 ND1 HIS A 85 -25.409 23.927 11.258 1.00 72.52 N ATOM 1405 CD2 HIS A 85 -25.817 25.202 9.537 1.00 50.51 C ATOM 1406 CE1 HIS A 85 -24.730 25.041 11.429 1.00 44.23 C ATOM 1407 NE2 HIS A 85 -24.958 25.832 10.403 1.00 0.11 N ATOM 1408 OXT HIS A 85 -26.765 19.348 9.020 1.00 38.49 O ATOM 0 H HIS A 85 -25.889 22.929 7.329 1.00 71.15 H new ATOM 0 HA HIS A 85 -25.458 21.372 9.715 1.00 4.25 H new ATOM 0 HB2 HIS A 85 -27.660 23.277 8.819 1.00 22.41 H new ATOM 0 HB3 HIS A 85 -27.611 22.534 10.405 1.00 22.41 H new ATOM 0 HD2 HIS A 85 -26.189 25.596 8.603 1.00 50.51 H new ATOM 0 HE1 HIS A 85 -24.092 25.268 12.271 1.00 44.23 H new ATOM 0 HE2 HIS A 85 -24.561 26.762 10.272 1.00 0.11 H new TER 1417 HIS A 85