USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=20 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 Set 1.1: A 25 GLN : amide:sc= 0.952 K(o=2.2,f=-6.4!) USER MOD Set 1.2: A 28 LYS NZ :NH3+ 152:sc= 1.25 (180deg=0) USER MOD Single : A 1 MET CE :methyl 167:sc= -0.231 (180deg=-0.488) USER MOD Single : A 1 MET N :NH3+ -167:sc= 0.909 (180deg=0.624) USER MOD Single : A 3 MET CE :methyl 155:sc= -0.932 (180deg=-1.68!) USER MOD Single : A 17 LYS NZ :NH3+ -177:sc= 1.26 (180deg=1.16) USER MOD Single : A 20 LYS NZ :NH3+ -167:sc= -0.0405 (180deg=-0.196) USER MOD Single : A 22 MET CE :methyl -141:sc= -0.0685 (180deg=-1.75) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.256 USER MOD Single : A 40 ASN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 47 THR OG1 : rot -100:sc= 0.766 USER MOD Single : A 52 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 161:sc= 1.1 (180deg=0.878) USER MOD Single : A 66 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0698) USER MOD Single : A 69 ASN : amide:sc= -1.18 K(o=-1.2,f=-0.09) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot -178:sc= 0.337 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot -56:sc= 0.996 USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 81 HIS : no HD1:sc= 0.571 K(o=0.57,f=-2.5!) USER MOD Single : A 82 HIS : no HD1:sc= -2.08! K(o=-2.1!,f=0) USER MOD Single : A 83 HIS : no HD1:sc= -0.561 K(o=-0.56,f=0.14) USER MOD Single : A 84 HIS : no HE2:sc= -0.337 K(o=-0.34,f=-3.2!) USER MOD Single : A 85 HIS : no HE2:sc= 0.911 K(o=0.91,f=-3.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.261 14.095 4.288 1.00 74.21 N ATOM 2 CA MET A 1 -3.073 12.950 4.795 1.00 42.21 C ATOM 3 C MET A 1 -2.183 11.778 5.235 1.00 24.24 C ATOM 4 O MET A 1 -0.967 11.793 5.039 1.00 74.53 O ATOM 5 CB MET A 1 -4.043 12.452 3.712 1.00 42.23 C ATOM 6 CG MET A 1 -5.053 13.483 3.238 1.00 11.21 C ATOM 7 SD MET A 1 -6.082 12.866 1.890 1.00 15.14 S ATOM 8 CE MET A 1 -6.930 11.501 2.681 1.00 74.30 C ATOM 0 H1 MET A 1 -2.863 14.939 4.208 1.00 74.21 H new ATOM 0 H2 MET A 1 -1.481 14.287 4.949 1.00 74.21 H new ATOM 0 H3 MET A 1 -1.872 13.858 3.353 1.00 74.21 H new ATOM 0 HA MET A 1 -3.633 13.314 5.657 1.00 42.21 H new ATOM 0 HB2 MET A 1 -3.463 12.111 2.854 1.00 42.23 H new ATOM 0 HB3 MET A 1 -4.582 11.586 4.097 1.00 42.23 H new ATOM 0 HG2 MET A 1 -5.689 13.775 4.073 1.00 11.21 H new ATOM 0 HG3 MET A 1 -4.527 14.379 2.909 1.00 11.21 H new ATOM 0 HE1 MET A 1 -7.758 11.173 2.052 1.00 74.30 H new ATOM 0 HE2 MET A 1 -6.234 10.674 2.824 1.00 74.30 H new ATOM 0 HE3 MET A 1 -7.315 11.823 3.649 1.00 74.30 H new ATOM 20 N GLU A 2 -2.810 10.752 5.811 1.00 23.32 N ATOM 21 CA GLU A 2 -2.118 9.528 6.234 1.00 11.25 C ATOM 22 C GLU A 2 -2.913 8.296 5.762 1.00 33.45 C ATOM 23 O GLU A 2 -4.139 8.354 5.658 1.00 72.14 O ATOM 24 CB GLU A 2 -1.954 9.537 7.765 1.00 62.40 C ATOM 25 CG GLU A 2 -1.228 8.323 8.338 1.00 20.43 C ATOM 26 CD GLU A 2 -0.908 8.486 9.820 1.00 24.00 C ATOM 27 OE1 GLU A 2 -1.851 8.605 10.630 1.00 43.03 O ATOM 28 OE2 GLU A 2 0.288 8.516 10.174 1.00 12.15 O ATOM 0 H GLU A 2 -3.813 10.743 5.999 1.00 23.32 H new ATOM 0 HA GLU A 2 -1.126 9.483 5.784 1.00 11.25 H new ATOM 0 HB2 GLU A 2 -1.411 10.437 8.053 1.00 62.40 H new ATOM 0 HB3 GLU A 2 -2.942 9.601 8.222 1.00 62.40 H new ATOM 0 HG2 GLU A 2 -1.844 7.435 8.197 1.00 20.43 H new ATOM 0 HG3 GLU A 2 -0.303 8.161 7.785 1.00 20.43 H new ATOM 35 N MET A 3 -2.231 7.197 5.438 1.00 72.40 N ATOM 36 CA MET A 3 -2.919 6.037 4.846 1.00 32.20 C ATOM 37 C MET A 3 -2.266 4.693 5.218 1.00 63.55 C ATOM 38 O MET A 3 -1.103 4.446 4.896 1.00 72.23 O ATOM 39 CB MET A 3 -2.948 6.211 3.320 1.00 14.31 C ATOM 40 CG MET A 3 -3.685 5.113 2.565 1.00 14.14 C ATOM 41 SD MET A 3 -3.836 5.486 0.802 1.00 14.53 S ATOM 42 CE MET A 3 -4.594 3.982 0.182 1.00 34.31 C ATOM 0 H MET A 3 -1.226 7.080 5.569 1.00 72.40 H new ATOM 0 HA MET A 3 -3.930 6.005 5.252 1.00 32.20 H new ATOM 0 HB2 MET A 3 -3.414 7.168 3.087 1.00 14.31 H new ATOM 0 HB3 MET A 3 -1.922 6.258 2.954 1.00 14.31 H new ATOM 0 HG2 MET A 3 -3.156 4.168 2.692 1.00 14.14 H new ATOM 0 HG3 MET A 3 -4.678 4.982 2.994 1.00 14.14 H new ATOM 0 HE1 MET A 3 -5.141 4.201 -0.735 1.00 34.31 H new ATOM 0 HE2 MET A 3 -3.820 3.243 -0.025 1.00 34.31 H new ATOM 0 HE3 MET A 3 -5.282 3.587 0.929 1.00 34.31 H new ATOM 52 N ASP A 4 -3.028 3.828 5.892 1.00 10.12 N ATOM 53 CA ASP A 4 -2.592 2.451 6.177 1.00 34.23 C ATOM 54 C ASP A 4 -2.980 1.517 5.021 1.00 44.05 C ATOM 55 O ASP A 4 -4.159 1.371 4.711 1.00 14.12 O ATOM 56 CB ASP A 4 -3.245 1.931 7.465 1.00 21.04 C ATOM 57 CG ASP A 4 -3.025 2.840 8.656 1.00 13.11 C ATOM 58 OD1 ASP A 4 -3.828 3.772 8.844 1.00 62.11 O ATOM 59 OD2 ASP A 4 -2.063 2.614 9.421 1.00 23.40 O ATOM 0 H ASP A 4 -3.954 4.055 6.254 1.00 10.12 H new ATOM 0 HA ASP A 4 -1.509 2.464 6.296 1.00 34.23 H new ATOM 0 HB2 ASP A 4 -4.316 1.813 7.299 1.00 21.04 H new ATOM 0 HB3 ASP A 4 -2.847 0.942 7.693 1.00 21.04 H new ATOM 64 N ILE A 5 -2.002 0.889 4.385 1.00 32.03 N ATOM 65 CA ILE A 5 -2.275 -0.041 3.283 1.00 43.54 C ATOM 66 C ILE A 5 -1.832 -1.468 3.642 1.00 12.44 C ATOM 67 O ILE A 5 -0.642 -1.766 3.699 1.00 52.44 O ATOM 68 CB ILE A 5 -1.564 0.409 1.984 1.00 21.41 C ATOM 69 CG1 ILE A 5 -1.909 1.875 1.674 1.00 10.43 C ATOM 70 CG2 ILE A 5 -1.953 -0.498 0.816 1.00 12.03 C ATOM 71 CD1 ILE A 5 -1.202 2.433 0.458 1.00 71.21 C ATOM 0 H ILE A 5 -1.013 1.001 4.607 1.00 32.03 H new ATOM 0 HA ILE A 5 -3.352 -0.036 3.116 1.00 43.54 H new ATOM 0 HB ILE A 5 -0.487 0.329 2.129 1.00 21.41 H new ATOM 0 HG12 ILE A 5 -2.986 1.960 1.526 1.00 10.43 H new ATOM 0 HG13 ILE A 5 -1.657 2.487 2.540 1.00 10.43 H new ATOM 0 HG21 ILE A 5 -1.443 -0.166 -0.088 1.00 12.03 H new ATOM 0 HG22 ILE A 5 -1.662 -1.524 1.040 1.00 12.03 H new ATOM 0 HG23 ILE A 5 -3.031 -0.451 0.663 1.00 12.03 H new ATOM 0 HD11 ILE A 5 -1.500 3.471 0.308 1.00 71.21 H new ATOM 0 HD12 ILE A 5 -0.124 2.383 0.609 1.00 71.21 H new ATOM 0 HD13 ILE A 5 -1.473 1.848 -0.421 1.00 71.21 H new ATOM 83 N ARG A 6 -2.799 -2.347 3.874 1.00 74.20 N ATOM 84 CA ARG A 6 -2.519 -3.720 4.305 1.00 43.24 C ATOM 85 C ARG A 6 -2.562 -4.723 3.143 1.00 62.12 C ATOM 86 O ARG A 6 -3.638 -5.122 2.694 1.00 21.24 O ATOM 87 CB ARG A 6 -3.528 -4.136 5.384 1.00 73.41 C ATOM 88 CG ARG A 6 -3.367 -3.378 6.698 1.00 32.44 C ATOM 89 CD ARG A 6 -4.550 -3.583 7.638 1.00 14.32 C ATOM 90 NE ARG A 6 -5.761 -2.934 7.135 1.00 62.14 N ATOM 91 CZ ARG A 6 -6.121 -1.713 7.442 1.00 12.43 C ATOM 92 NH1 ARG A 6 -5.387 -0.980 8.224 1.00 24.44 N ATOM 93 NH2 ARG A 6 -7.215 -1.222 6.960 1.00 11.23 N ATOM 0 H ARG A 6 -3.792 -2.136 3.771 1.00 74.20 H new ATOM 0 HA ARG A 6 -1.506 -3.734 4.707 1.00 43.24 H new ATOM 0 HB2 ARG A 6 -4.538 -3.978 5.005 1.00 73.41 H new ATOM 0 HB3 ARG A 6 -3.423 -5.204 5.575 1.00 73.41 H new ATOM 0 HG2 ARG A 6 -2.453 -3.705 7.193 1.00 32.44 H new ATOM 0 HG3 ARG A 6 -3.253 -2.314 6.489 1.00 32.44 H new ATOM 0 HD2 ARG A 6 -4.734 -4.650 7.763 1.00 14.32 H new ATOM 0 HD3 ARG A 6 -4.306 -3.184 8.623 1.00 14.32 H new ATOM 0 HE ARG A 6 -6.362 -3.466 6.506 1.00 62.14 H new ATOM 0 HH11 ARG A 6 -4.519 -1.354 8.607 1.00 24.44 H new ATOM 0 HH12 ARG A 6 -5.679 -0.030 8.455 1.00 24.44 H new ATOM 0 HH21 ARG A 6 -7.798 -1.786 6.341 1.00 11.23 H new ATOM 0 HH22 ARG A 6 -7.496 -0.271 7.199 1.00 11.23 H new ATOM 107 N PHE A 7 -1.390 -5.123 2.663 1.00 64.41 N ATOM 108 CA PHE A 7 -1.284 -6.199 1.671 1.00 1.34 C ATOM 109 C PHE A 7 -1.247 -7.565 2.369 1.00 21.30 C ATOM 110 O PHE A 7 -0.674 -7.704 3.447 1.00 2.24 O ATOM 111 CB PHE A 7 -0.027 -6.022 0.806 1.00 4.33 C ATOM 112 CG PHE A 7 -0.069 -4.816 -0.099 1.00 40.21 C ATOM 113 CD1 PHE A 7 -0.789 -4.850 -1.286 1.00 73.23 C ATOM 114 CD2 PHE A 7 0.618 -3.651 0.228 1.00 11.12 C ATOM 115 CE1 PHE A 7 -0.826 -3.753 -2.125 1.00 33.33 C ATOM 116 CE2 PHE A 7 0.581 -2.551 -0.609 1.00 25.22 C ATOM 117 CZ PHE A 7 -0.139 -2.603 -1.786 1.00 41.40 C ATOM 0 H PHE A 7 -0.495 -4.721 2.942 1.00 64.41 H new ATOM 0 HA PHE A 7 -2.161 -6.152 1.025 1.00 1.34 H new ATOM 0 HB2 PHE A 7 0.842 -5.943 1.459 1.00 4.33 H new ATOM 0 HB3 PHE A 7 0.111 -6.916 0.197 1.00 4.33 H new ATOM 0 HD1 PHE A 7 -1.327 -5.746 -1.557 1.00 73.23 H new ATOM 0 HD2 PHE A 7 1.186 -3.605 1.145 1.00 11.12 H new ATOM 0 HE1 PHE A 7 -1.391 -3.794 -3.044 1.00 33.33 H new ATOM 0 HE2 PHE A 7 1.115 -1.651 -0.342 1.00 25.22 H new ATOM 0 HZ PHE A 7 -0.165 -1.745 -2.442 1.00 41.40 H new ATOM 127 N ARG A 8 -1.874 -8.565 1.764 1.00 3.33 N ATOM 128 CA ARG A 8 -1.889 -9.914 2.333 1.00 43.20 C ATOM 129 C ARG A 8 -1.762 -10.969 1.225 1.00 24.54 C ATOM 130 O ARG A 8 -2.620 -11.060 0.345 1.00 34.32 O ATOM 131 CB ARG A 8 -3.193 -10.115 3.120 1.00 21.42 C ATOM 132 CG ARG A 8 -3.213 -11.354 4.013 1.00 71.40 C ATOM 133 CD ARG A 8 -4.506 -11.443 4.818 1.00 45.21 C ATOM 134 NE ARG A 8 -4.455 -12.500 5.827 1.00 73.33 N ATOM 135 CZ ARG A 8 -5.141 -12.487 6.935 1.00 21.11 C ATOM 136 NH1 ARG A 8 -5.969 -11.523 7.189 1.00 2.24 N ATOM 137 NH2 ARG A 8 -5.005 -13.448 7.787 1.00 44.32 N ATOM 0 H ARG A 8 -2.378 -8.472 0.882 1.00 3.33 H new ATOM 0 HA ARG A 8 -1.039 -10.030 3.006 1.00 43.20 H new ATOM 0 HB2 ARG A 8 -3.368 -9.235 3.739 1.00 21.42 H new ATOM 0 HB3 ARG A 8 -4.021 -10.178 2.415 1.00 21.42 H new ATOM 0 HG2 ARG A 8 -3.103 -12.248 3.399 1.00 71.40 H new ATOM 0 HG3 ARG A 8 -2.361 -11.328 4.693 1.00 71.40 H new ATOM 0 HD2 ARG A 8 -4.696 -10.487 5.305 1.00 45.21 H new ATOM 0 HD3 ARG A 8 -5.341 -11.628 4.142 1.00 45.21 H new ATOM 0 HE ARG A 8 -3.844 -13.298 5.653 1.00 73.33 H new ATOM 0 HH11 ARG A 8 -6.089 -10.764 6.518 1.00 2.24 H new ATOM 0 HH12 ARG A 8 -6.501 -11.523 8.060 1.00 2.24 H new ATOM 0 HH21 ARG A 8 -4.362 -14.215 7.592 1.00 44.32 H new ATOM 0 HH22 ARG A 8 -5.541 -13.440 8.655 1.00 44.32 H new ATOM 151 N GLY A 9 -0.698 -11.771 1.280 1.00 63.11 N ATOM 152 CA GLY A 9 -0.441 -12.761 0.235 1.00 60.44 C ATOM 153 C GLY A 9 0.377 -13.953 0.726 1.00 33.43 C ATOM 154 O GLY A 9 1.164 -13.830 1.664 1.00 34.02 O ATOM 0 H GLY A 9 -0.007 -11.755 2.030 1.00 63.11 H new ATOM 0 HA2 GLY A 9 -1.392 -13.119 -0.160 1.00 60.44 H new ATOM 0 HA3 GLY A 9 0.086 -12.281 -0.590 1.00 60.44 H new ATOM 158 N ASP A 10 0.206 -15.105 0.080 1.00 23.52 N ATOM 159 CA ASP A 10 0.844 -16.349 0.527 1.00 34.32 C ATOM 160 C ASP A 10 2.145 -16.666 -0.233 1.00 15.34 C ATOM 161 O ASP A 10 2.925 -17.517 0.202 1.00 64.23 O ATOM 162 CB ASP A 10 -0.138 -17.513 0.368 1.00 44.34 C ATOM 163 CG ASP A 10 -1.379 -17.338 1.224 1.00 22.43 C ATOM 164 OD1 ASP A 10 -2.353 -16.717 0.753 1.00 2.21 O ATOM 165 OD2 ASP A 10 -1.384 -17.819 2.377 1.00 63.40 O ATOM 0 H ASP A 10 -0.369 -15.206 -0.756 1.00 23.52 H new ATOM 0 HA ASP A 10 1.112 -16.211 1.574 1.00 34.32 H new ATOM 0 HB2 ASP A 10 -0.430 -17.599 -0.679 1.00 44.34 H new ATOM 0 HB3 ASP A 10 0.359 -18.445 0.638 1.00 44.34 H new ATOM 170 N ASP A 11 2.385 -15.989 -1.354 1.00 52.53 N ATOM 171 CA ASP A 11 3.535 -16.306 -2.211 1.00 32.21 C ATOM 172 C ASP A 11 4.887 -15.860 -1.595 1.00 40.22 C ATOM 173 O ASP A 11 5.503 -16.615 -0.839 1.00 12.30 O ATOM 174 CB ASP A 11 3.319 -15.721 -3.623 1.00 22.23 C ATOM 175 CG ASP A 11 2.988 -14.238 -3.615 1.00 72.02 C ATOM 176 OD1 ASP A 11 1.889 -13.874 -3.155 1.00 75.31 O ATOM 177 OD2 ASP A 11 3.847 -13.434 -4.048 1.00 73.51 O ATOM 0 H ASP A 11 1.805 -15.221 -1.692 1.00 52.53 H new ATOM 0 HA ASP A 11 3.598 -17.391 -2.292 1.00 32.21 H new ATOM 0 HB2 ASP A 11 4.219 -15.882 -4.217 1.00 22.23 H new ATOM 0 HB3 ASP A 11 2.511 -16.264 -4.114 1.00 22.23 H new ATOM 182 N LEU A 12 5.329 -14.637 -1.901 1.00 20.21 N ATOM 183 CA LEU A 12 6.626 -14.114 -1.447 1.00 51.35 C ATOM 184 C LEU A 12 6.929 -12.780 -2.145 1.00 41.43 C ATOM 185 O LEU A 12 7.225 -11.773 -1.500 1.00 54.55 O ATOM 186 CB LEU A 12 7.766 -15.109 -1.742 1.00 20.03 C ATOM 187 CG LEU A 12 9.173 -14.642 -1.328 1.00 52.35 C ATOM 188 CD1 LEU A 12 9.229 -14.350 0.168 1.00 74.55 C ATOM 189 CD2 LEU A 12 10.226 -15.681 -1.718 1.00 74.24 C ATOM 0 H LEU A 12 4.799 -13.978 -2.471 1.00 20.21 H new ATOM 0 HA LEU A 12 6.564 -13.964 -0.369 1.00 51.35 H new ATOM 0 HB2 LEU A 12 7.548 -16.047 -1.231 1.00 20.03 H new ATOM 0 HB3 LEU A 12 7.772 -15.322 -2.811 1.00 20.03 H new ATOM 0 HG LEU A 12 9.394 -13.718 -1.862 1.00 52.35 H new ATOM 0 HD11 LEU A 12 10.233 -14.022 0.437 1.00 74.55 H new ATOM 0 HD12 LEU A 12 8.513 -13.566 0.413 1.00 74.55 H new ATOM 0 HD13 LEU A 12 8.981 -15.254 0.725 1.00 74.55 H new ATOM 0 HD21 LEU A 12 11.213 -15.330 -1.416 1.00 74.24 H new ATOM 0 HD22 LEU A 12 10.008 -16.625 -1.219 1.00 74.24 H new ATOM 0 HD23 LEU A 12 10.209 -15.829 -2.798 1.00 74.24 H new ATOM 201 N GLU A 13 6.831 -12.789 -3.475 1.00 53.23 N ATOM 202 CA GLU A 13 7.116 -11.602 -4.286 1.00 31.45 C ATOM 203 C GLU A 13 6.155 -10.453 -3.965 1.00 44.34 C ATOM 204 O GLU A 13 6.527 -9.285 -4.062 1.00 14.21 O ATOM 205 CB GLU A 13 7.031 -11.940 -5.778 1.00 53.41 C ATOM 206 CG GLU A 13 8.012 -13.017 -6.225 1.00 14.32 C ATOM 207 CD GLU A 13 7.928 -13.289 -7.717 1.00 54.04 C ATOM 208 OE1 GLU A 13 6.986 -13.988 -8.145 1.00 34.34 O ATOM 209 OE2 GLU A 13 8.793 -12.791 -8.469 1.00 22.44 O ATOM 0 H GLU A 13 6.555 -13.608 -4.016 1.00 53.23 H new ATOM 0 HA GLU A 13 8.128 -11.278 -4.043 1.00 31.45 H new ATOM 0 HB2 GLU A 13 6.017 -12.268 -6.009 1.00 53.41 H new ATOM 0 HB3 GLU A 13 7.213 -11.034 -6.356 1.00 53.41 H new ATOM 0 HG2 GLU A 13 9.026 -12.710 -5.970 1.00 14.32 H new ATOM 0 HG3 GLU A 13 7.811 -13.938 -5.678 1.00 14.32 H new ATOM 216 N ALA A 14 4.935 -10.791 -3.558 1.00 24.12 N ATOM 217 CA ALA A 14 3.920 -9.788 -3.231 1.00 44.33 C ATOM 218 C ALA A 14 4.452 -8.762 -2.216 1.00 20.35 C ATOM 219 O ALA A 14 4.199 -7.564 -2.339 1.00 75.32 O ATOM 220 CB ALA A 14 2.671 -10.475 -2.691 1.00 63.15 C ATOM 0 H ALA A 14 4.622 -11.755 -3.446 1.00 24.12 H new ATOM 0 HA ALA A 14 3.667 -9.247 -4.143 1.00 44.33 H new ATOM 0 HB1 ALA A 14 1.919 -9.724 -2.449 1.00 63.15 H new ATOM 0 HB2 ALA A 14 2.275 -11.156 -3.445 1.00 63.15 H new ATOM 0 HB3 ALA A 14 2.925 -11.037 -1.792 1.00 63.15 H new ATOM 226 N PHE A 15 5.218 -9.241 -1.235 1.00 42.45 N ATOM 227 CA PHE A 15 5.851 -8.366 -0.239 1.00 45.42 C ATOM 228 C PHE A 15 6.847 -7.392 -0.893 1.00 41.44 C ATOM 229 O PHE A 15 6.686 -6.173 -0.813 1.00 32.22 O ATOM 230 CB PHE A 15 6.567 -9.216 0.829 1.00 61.41 C ATOM 231 CG PHE A 15 7.491 -8.427 1.732 1.00 42.24 C ATOM 232 CD1 PHE A 15 6.982 -7.596 2.717 1.00 44.11 C ATOM 233 CD2 PHE A 15 8.870 -8.516 1.586 1.00 53.23 C ATOM 234 CE1 PHE A 15 7.826 -6.871 3.537 1.00 0.21 C ATOM 235 CE2 PHE A 15 9.717 -7.792 2.404 1.00 33.41 C ATOM 236 CZ PHE A 15 9.195 -6.968 3.381 1.00 2.32 C ATOM 0 H PHE A 15 5.417 -10.233 -1.106 1.00 42.45 H new ATOM 0 HA PHE A 15 5.067 -7.774 0.233 1.00 45.42 H new ATOM 0 HB2 PHE A 15 5.817 -9.716 1.442 1.00 61.41 H new ATOM 0 HB3 PHE A 15 7.143 -9.996 0.331 1.00 61.41 H new ATOM 0 HD1 PHE A 15 5.913 -7.514 2.846 1.00 44.11 H new ATOM 0 HD2 PHE A 15 9.285 -9.159 0.824 1.00 53.23 H new ATOM 0 HE1 PHE A 15 7.415 -6.228 4.301 1.00 0.21 H new ATOM 0 HE2 PHE A 15 10.787 -7.871 2.279 1.00 33.41 H new ATOM 0 HZ PHE A 15 9.855 -6.401 4.021 1.00 2.32 H new ATOM 246 N GLU A 16 7.870 -7.943 -1.545 1.00 41.14 N ATOM 247 CA GLU A 16 8.956 -7.136 -2.116 1.00 71.33 C ATOM 248 C GLU A 16 8.464 -6.183 -3.219 1.00 14.22 C ATOM 249 O GLU A 16 8.749 -4.984 -3.188 1.00 42.03 O ATOM 250 CB GLU A 16 10.063 -8.048 -2.668 1.00 61.14 C ATOM 251 CG GLU A 16 11.212 -7.288 -3.328 1.00 60.11 C ATOM 252 CD GLU A 16 12.331 -8.202 -3.802 1.00 5.21 C ATOM 253 OE1 GLU A 16 12.113 -8.965 -4.767 1.00 23.23 O ATOM 254 OE2 GLU A 16 13.431 -8.167 -3.210 1.00 60.21 O ATOM 0 H GLU A 16 7.973 -8.947 -1.693 1.00 41.14 H new ATOM 0 HA GLU A 16 9.354 -6.521 -1.309 1.00 71.33 H new ATOM 0 HB2 GLU A 16 10.460 -8.655 -1.855 1.00 61.14 H new ATOM 0 HB3 GLU A 16 9.628 -8.734 -3.395 1.00 61.14 H new ATOM 0 HG2 GLU A 16 10.827 -6.723 -4.177 1.00 60.11 H new ATOM 0 HG3 GLU A 16 11.616 -6.564 -2.620 1.00 60.11 H new ATOM 261 N LYS A 17 7.719 -6.713 -4.186 1.00 64.14 N ATOM 262 CA LYS A 17 7.305 -5.921 -5.351 1.00 54.53 C ATOM 263 C LYS A 17 6.324 -4.802 -4.960 1.00 61.42 C ATOM 264 O LYS A 17 6.480 -3.658 -5.388 1.00 63.42 O ATOM 265 CB LYS A 17 6.670 -6.816 -6.425 1.00 44.25 C ATOM 266 CG LYS A 17 7.426 -8.117 -6.704 1.00 14.42 C ATOM 267 CD LYS A 17 8.909 -7.899 -6.979 1.00 30.03 C ATOM 268 CE LYS A 17 9.627 -9.228 -7.198 1.00 3.41 C ATOM 269 NZ LYS A 17 11.100 -9.065 -7.294 1.00 74.31 N ATOM 0 H LYS A 17 7.390 -7.678 -4.191 1.00 64.14 H new ATOM 0 HA LYS A 17 8.204 -5.459 -5.758 1.00 54.53 H new ATOM 0 HB2 LYS A 17 5.653 -7.061 -6.119 1.00 44.25 H new ATOM 0 HB3 LYS A 17 6.595 -6.249 -7.353 1.00 44.25 H new ATOM 0 HG2 LYS A 17 7.315 -8.785 -5.850 1.00 14.42 H new ATOM 0 HG3 LYS A 17 6.973 -8.617 -7.560 1.00 14.42 H new ATOM 0 HD2 LYS A 17 9.030 -7.267 -7.859 1.00 30.03 H new ATOM 0 HD3 LYS A 17 9.364 -7.370 -6.142 1.00 30.03 H new ATOM 0 HE2 LYS A 17 9.392 -9.905 -6.377 1.00 3.41 H new ATOM 0 HE3 LYS A 17 9.255 -9.693 -8.111 1.00 3.41 H new ATOM 0 HZ1 LYS A 17 11.539 -9.987 -7.493 1.00 74.31 H new ATOM 0 HZ2 LYS A 17 11.326 -8.401 -8.061 1.00 74.31 H new ATOM 0 HZ3 LYS A 17 11.468 -8.694 -6.395 1.00 74.31 H new ATOM 283 N ALA A 18 5.316 -5.129 -4.145 1.00 5.02 N ATOM 284 CA ALA A 18 4.333 -4.129 -3.710 1.00 44.43 C ATOM 285 C ALA A 18 4.990 -3.031 -2.861 1.00 72.40 C ATOM 286 O ALA A 18 4.753 -1.841 -3.076 1.00 51.12 O ATOM 287 CB ALA A 18 3.195 -4.792 -2.942 1.00 74.12 C ATOM 0 H ALA A 18 5.159 -6.067 -3.776 1.00 5.02 H new ATOM 0 HA ALA A 18 3.921 -3.658 -4.603 1.00 44.43 H new ATOM 0 HB1 ALA A 18 2.477 -4.034 -2.629 1.00 74.12 H new ATOM 0 HB2 ALA A 18 2.698 -5.519 -3.584 1.00 74.12 H new ATOM 0 HB3 ALA A 18 3.595 -5.298 -2.063 1.00 74.12 H new ATOM 293 N LEU A 19 5.824 -3.438 -1.904 1.00 33.35 N ATOM 294 CA LEU A 19 6.576 -2.488 -1.074 1.00 52.23 C ATOM 295 C LEU A 19 7.412 -1.545 -1.955 1.00 64.34 C ATOM 296 O LEU A 19 7.397 -0.326 -1.773 1.00 64.34 O ATOM 297 CB LEU A 19 7.485 -3.251 -0.099 1.00 52.31 C ATOM 298 CG LEU A 19 8.302 -2.381 0.873 1.00 32.13 C ATOM 299 CD1 LEU A 19 7.382 -1.568 1.781 1.00 62.13 C ATOM 300 CD2 LEU A 19 9.253 -3.247 1.698 1.00 21.33 C ATOM 0 H LEU A 19 5.998 -4.418 -1.682 1.00 33.35 H new ATOM 0 HA LEU A 19 5.869 -1.886 -0.503 1.00 52.23 H new ATOM 0 HB2 LEU A 19 6.868 -3.934 0.485 1.00 52.31 H new ATOM 0 HB3 LEU A 19 8.176 -3.862 -0.679 1.00 52.31 H new ATOM 0 HG LEU A 19 8.898 -1.682 0.286 1.00 32.13 H new ATOM 0 HD11 LEU A 19 7.983 -0.961 2.459 1.00 62.13 H new ATOM 0 HD12 LEU A 19 6.753 -0.918 1.173 1.00 62.13 H new ATOM 0 HD13 LEU A 19 6.753 -2.244 2.360 1.00 62.13 H new ATOM 0 HD21 LEU A 19 9.822 -2.615 2.379 1.00 21.33 H new ATOM 0 HD22 LEU A 19 8.678 -3.974 2.272 1.00 21.33 H new ATOM 0 HD23 LEU A 19 9.938 -3.771 1.032 1.00 21.33 H new ATOM 312 N LYS A 20 8.121 -2.131 -2.917 1.00 74.13 N ATOM 313 CA LYS A 20 8.919 -1.373 -3.889 1.00 34.52 C ATOM 314 C LYS A 20 8.096 -0.268 -4.582 1.00 23.25 C ATOM 315 O LYS A 20 8.468 0.908 -4.552 1.00 64.14 O ATOM 316 CB LYS A 20 9.495 -2.339 -4.939 1.00 23.54 C ATOM 317 CG LYS A 20 10.091 -1.656 -6.166 1.00 5.54 C ATOM 318 CD LYS A 20 11.310 -0.803 -5.829 1.00 61.33 C ATOM 319 CE LYS A 20 11.774 0.002 -7.036 1.00 25.02 C ATOM 320 NZ LYS A 20 12.005 -0.857 -8.231 1.00 41.34 N ATOM 0 H LYS A 20 8.161 -3.142 -3.048 1.00 74.13 H new ATOM 0 HA LYS A 20 9.728 -0.881 -3.348 1.00 34.52 H new ATOM 0 HB2 LYS A 20 10.265 -2.950 -4.469 1.00 23.54 H new ATOM 0 HB3 LYS A 20 8.705 -3.016 -5.263 1.00 23.54 H new ATOM 0 HG2 LYS A 20 10.373 -2.413 -6.897 1.00 5.54 H new ATOM 0 HG3 LYS A 20 9.331 -1.029 -6.633 1.00 5.54 H new ATOM 0 HD2 LYS A 20 11.068 -0.126 -5.010 1.00 61.33 H new ATOM 0 HD3 LYS A 20 12.121 -1.444 -5.484 1.00 61.33 H new ATOM 0 HE2 LYS A 20 11.027 0.759 -7.274 1.00 25.02 H new ATOM 0 HE3 LYS A 20 12.695 0.529 -6.787 1.00 25.02 H new ATOM 0 HZ1 LYS A 20 12.523 -0.316 -8.953 1.00 41.34 H new ATOM 0 HZ2 LYS A 20 12.563 -1.691 -7.957 1.00 41.34 H new ATOM 0 HZ3 LYS A 20 11.091 -1.165 -8.619 1.00 41.34 H new ATOM 334 N GLU A 21 6.984 -0.652 -5.203 1.00 50.50 N ATOM 335 CA GLU A 21 6.157 0.294 -5.961 1.00 14.15 C ATOM 336 C GLU A 21 5.551 1.384 -5.062 1.00 31.25 C ATOM 337 O GLU A 21 5.539 2.564 -5.429 1.00 22.01 O ATOM 338 CB GLU A 21 5.046 -0.450 -6.715 1.00 22.43 C ATOM 339 CG GLU A 21 5.566 -1.501 -7.699 1.00 42.42 C ATOM 340 CD GLU A 21 6.463 -0.914 -8.782 1.00 22.32 C ATOM 341 OE1 GLU A 21 7.685 -0.778 -8.551 1.00 2.24 O ATOM 342 OE2 GLU A 21 5.953 -0.584 -9.874 1.00 73.21 O ATOM 0 H GLU A 21 6.632 -1.609 -5.199 1.00 50.50 H new ATOM 0 HA GLU A 21 6.810 0.789 -6.680 1.00 14.15 H new ATOM 0 HB2 GLU A 21 4.391 -0.935 -5.992 1.00 22.43 H new ATOM 0 HB3 GLU A 21 4.440 0.275 -7.258 1.00 22.43 H new ATOM 0 HG2 GLU A 21 6.120 -2.262 -7.149 1.00 42.42 H new ATOM 0 HG3 GLU A 21 4.719 -2.001 -8.169 1.00 42.42 H new ATOM 349 N MET A 22 5.060 0.993 -3.883 1.00 45.53 N ATOM 350 CA MET A 22 4.480 1.956 -2.937 1.00 44.40 C ATOM 351 C MET A 22 5.522 2.987 -2.482 1.00 50.54 C ATOM 352 O MET A 22 5.246 4.189 -2.453 1.00 64.11 O ATOM 353 CB MET A 22 3.871 1.242 -1.722 1.00 74.20 C ATOM 354 CG MET A 22 2.712 0.318 -2.077 1.00 15.12 C ATOM 355 SD MET A 22 1.506 1.098 -3.173 1.00 74.42 S ATOM 356 CE MET A 22 1.042 2.551 -2.231 1.00 44.12 C ATOM 0 H MET A 22 5.051 0.025 -3.561 1.00 45.53 H new ATOM 0 HA MET A 22 3.683 2.484 -3.460 1.00 44.40 H new ATOM 0 HB2 MET A 22 4.648 0.662 -1.224 1.00 74.20 H new ATOM 0 HB3 MET A 22 3.524 1.989 -1.008 1.00 74.20 H new ATOM 0 HG2 MET A 22 3.103 -0.580 -2.555 1.00 15.12 H new ATOM 0 HG3 MET A 22 2.213 0.001 -1.162 1.00 15.12 H new ATOM 0 HE1 MET A 22 -0.028 2.728 -2.338 1.00 44.12 H new ATOM 0 HE2 MET A 22 1.280 2.394 -1.179 1.00 44.12 H new ATOM 0 HE3 MET A 22 1.592 3.416 -2.602 1.00 44.12 H new ATOM 366 N ILE A 23 6.725 2.519 -2.143 1.00 50.04 N ATOM 367 CA ILE A 23 7.826 3.422 -1.792 1.00 12.34 C ATOM 368 C ILE A 23 8.160 4.353 -2.970 1.00 32.23 C ATOM 369 O ILE A 23 8.401 5.544 -2.781 1.00 75.30 O ATOM 370 CB ILE A 23 9.094 2.640 -1.355 1.00 72.01 C ATOM 371 CG1 ILE A 23 8.806 1.825 -0.081 1.00 71.24 C ATOM 372 CG2 ILE A 23 10.269 3.593 -1.122 1.00 11.15 C ATOM 373 CD1 ILE A 23 9.992 1.022 0.417 1.00 51.42 C ATOM 0 H ILE A 23 6.962 1.528 -2.104 1.00 50.04 H new ATOM 0 HA ILE A 23 7.495 4.023 -0.945 1.00 12.34 H new ATOM 0 HB ILE A 23 9.365 1.954 -2.157 1.00 72.01 H new ATOM 0 HG12 ILE A 23 8.483 2.505 0.708 1.00 71.24 H new ATOM 0 HG13 ILE A 23 7.976 1.146 -0.276 1.00 71.24 H new ATOM 0 HG21 ILE A 23 11.146 3.022 -0.817 1.00 11.15 H new ATOM 0 HG22 ILE A 23 10.489 4.131 -2.044 1.00 11.15 H new ATOM 0 HG23 ILE A 23 10.010 4.306 -0.339 1.00 11.15 H new ATOM 0 HD11 ILE A 23 9.709 0.476 1.317 1.00 51.42 H new ATOM 0 HD12 ILE A 23 10.303 0.316 -0.353 1.00 51.42 H new ATOM 0 HD13 ILE A 23 10.817 1.696 0.646 1.00 51.42 H new ATOM 385 N ARG A 24 8.145 3.804 -4.187 1.00 15.12 N ATOM 386 CA ARG A 24 8.349 4.604 -5.404 1.00 40.24 C ATOM 387 C ARG A 24 7.321 5.750 -5.492 1.00 12.14 C ATOM 388 O ARG A 24 7.661 6.877 -5.851 1.00 73.42 O ATOM 389 CB ARG A 24 8.251 3.709 -6.653 1.00 41.05 C ATOM 390 CG ARG A 24 8.354 4.465 -7.982 1.00 45.23 C ATOM 391 CD ARG A 24 9.720 5.119 -8.173 1.00 65.10 C ATOM 392 NE ARG A 24 9.767 5.939 -9.384 1.00 11.34 N ATOM 393 CZ ARG A 24 10.841 6.527 -9.834 1.00 3.03 C ATOM 394 NH1 ARG A 24 11.981 6.356 -9.252 1.00 24.13 N ATOM 395 NH2 ARG A 24 10.775 7.282 -10.880 1.00 44.14 N ATOM 0 H ARG A 24 7.994 2.810 -4.359 1.00 15.12 H new ATOM 0 HA ARG A 24 9.346 5.042 -5.357 1.00 40.24 H new ATOM 0 HB2 ARG A 24 9.043 2.961 -6.612 1.00 41.05 H new ATOM 0 HB3 ARG A 24 7.303 3.172 -6.627 1.00 41.05 H new ATOM 0 HG2 ARG A 24 8.166 3.776 -8.805 1.00 45.23 H new ATOM 0 HG3 ARG A 24 7.579 5.230 -8.023 1.00 45.23 H new ATOM 0 HD2 ARG A 24 9.951 5.738 -7.306 1.00 65.10 H new ATOM 0 HD3 ARG A 24 10.488 4.347 -8.227 1.00 65.10 H new ATOM 0 HE ARG A 24 8.902 6.059 -9.912 1.00 11.34 H new ATOM 0 HH11 ARG A 24 12.049 5.755 -8.430 1.00 24.13 H new ATOM 0 HH12 ARG A 24 12.813 6.822 -9.614 1.00 24.13 H new ATOM 0 HH21 ARG A 24 9.883 7.419 -11.355 1.00 44.14 H new ATOM 0 HH22 ARG A 24 11.615 7.741 -11.231 1.00 44.14 H new ATOM 409 N GLN A 25 6.063 5.455 -5.158 1.00 33.54 N ATOM 410 CA GLN A 25 5.005 6.472 -5.175 1.00 12.30 C ATOM 411 C GLN A 25 5.210 7.506 -4.055 1.00 0.11 C ATOM 412 O GLN A 25 5.057 8.711 -4.266 1.00 61.14 O ATOM 413 CB GLN A 25 3.616 5.825 -5.035 1.00 65.15 C ATOM 414 CG GLN A 25 3.301 4.760 -6.085 1.00 72.45 C ATOM 415 CD GLN A 25 3.702 5.171 -7.493 1.00 43.52 C ATOM 416 OE1 GLN A 25 2.956 5.832 -8.205 1.00 71.35 O ATOM 417 NE2 GLN A 25 4.882 4.757 -7.912 1.00 23.20 N ATOM 0 H GLN A 25 5.751 4.526 -4.874 1.00 33.54 H new ATOM 0 HA GLN A 25 5.061 6.983 -6.136 1.00 12.30 H new ATOM 0 HB2 GLN A 25 3.537 5.375 -4.045 1.00 65.15 H new ATOM 0 HB3 GLN A 25 2.858 6.607 -5.091 1.00 65.15 H new ATOM 0 HG2 GLN A 25 3.816 3.836 -5.822 1.00 72.45 H new ATOM 0 HG3 GLN A 25 2.233 4.545 -6.066 1.00 72.45 H new ATOM 0 HE21 GLN A 25 5.479 4.208 -7.293 1.00 23.20 H new ATOM 0 HE22 GLN A 25 5.198 4.986 -8.855 1.00 23.20 H new ATOM 426 N ALA A 26 5.564 7.026 -2.864 1.00 23.31 N ATOM 427 CA ALA A 26 5.802 7.902 -1.709 1.00 63.15 C ATOM 428 C ALA A 26 7.011 8.826 -1.932 1.00 45.42 C ATOM 429 O ALA A 26 7.015 9.977 -1.491 1.00 52.22 O ATOM 430 CB ALA A 26 5.996 7.066 -0.451 1.00 2.03 C ATOM 0 H ALA A 26 5.694 6.033 -2.669 1.00 23.31 H new ATOM 0 HA ALA A 26 4.925 8.537 -1.586 1.00 63.15 H new ATOM 0 HB1 ALA A 26 6.172 7.724 0.400 1.00 2.03 H new ATOM 0 HB2 ALA A 26 5.102 6.469 -0.269 1.00 2.03 H new ATOM 0 HB3 ALA A 26 6.853 6.405 -0.582 1.00 2.03 H new ATOM 436 N ARG A 27 8.036 8.316 -2.621 1.00 33.41 N ATOM 437 CA ARG A 27 9.245 9.098 -2.926 1.00 5.23 C ATOM 438 C ARG A 27 8.947 10.292 -3.845 1.00 64.31 C ATOM 439 O ARG A 27 9.649 11.303 -3.800 1.00 72.42 O ATOM 440 CB ARG A 27 10.330 8.204 -3.543 1.00 73.45 C ATOM 441 CG ARG A 27 10.939 7.222 -2.546 1.00 51.52 C ATOM 442 CD ARG A 27 12.034 6.370 -3.174 1.00 0.21 C ATOM 443 NE ARG A 27 13.126 7.183 -3.711 1.00 35.33 N ATOM 444 CZ ARG A 27 14.349 7.171 -3.252 1.00 35.40 C ATOM 445 NH1 ARG A 27 14.651 6.491 -2.192 1.00 41.30 N ATOM 446 NH2 ARG A 27 15.261 7.869 -3.840 1.00 31.23 N ATOM 0 H ARG A 27 8.055 7.362 -2.981 1.00 33.41 H new ATOM 0 HA ARG A 27 9.613 9.499 -1.981 1.00 5.23 H new ATOM 0 HB2 ARG A 27 9.902 7.647 -4.376 1.00 73.45 H new ATOM 0 HB3 ARG A 27 11.120 8.833 -3.952 1.00 73.45 H new ATOM 0 HG2 ARG A 27 11.350 7.773 -1.700 1.00 51.52 H new ATOM 0 HG3 ARG A 27 10.156 6.573 -2.153 1.00 51.52 H new ATOM 0 HD2 ARG A 27 12.429 5.681 -2.428 1.00 0.21 H new ATOM 0 HD3 ARG A 27 11.607 5.764 -3.973 1.00 0.21 H new ATOM 0 HE ARG A 27 12.918 7.800 -4.496 1.00 35.33 H new ATOM 0 HH11 ARG A 27 13.930 5.957 -1.706 1.00 41.30 H new ATOM 0 HH12 ARG A 27 15.609 6.489 -1.843 1.00 41.30 H new ATOM 0 HH21 ARG A 27 15.026 8.428 -4.660 1.00 31.23 H new ATOM 0 HH22 ARG A 27 16.217 7.862 -3.484 1.00 31.23 H new ATOM 460 N LYS A 28 7.922 10.169 -4.689 1.00 42.23 N ATOM 461 CA LYS A 28 7.470 11.300 -5.514 1.00 71.05 C ATOM 462 C LYS A 28 7.142 12.515 -4.629 1.00 25.22 C ATOM 463 O LYS A 28 7.513 13.651 -4.937 1.00 34.41 O ATOM 464 CB LYS A 28 6.226 10.913 -6.333 1.00 73.43 C ATOM 465 CG LYS A 28 6.448 9.754 -7.297 1.00 32.40 C ATOM 466 CD LYS A 28 5.167 9.393 -8.049 1.00 32.52 C ATOM 467 CE LYS A 28 5.385 8.237 -9.022 1.00 41.42 C ATOM 468 NZ LYS A 28 4.131 7.851 -9.727 1.00 51.30 N ATOM 0 H LYS A 28 7.391 9.308 -4.822 1.00 42.23 H new ATOM 0 HA LYS A 28 8.278 11.561 -6.197 1.00 71.05 H new ATOM 0 HB2 LYS A 28 5.420 10.651 -5.647 1.00 73.43 H new ATOM 0 HB3 LYS A 28 5.893 11.783 -6.899 1.00 73.43 H new ATOM 0 HG2 LYS A 28 7.227 10.019 -8.011 1.00 32.40 H new ATOM 0 HG3 LYS A 28 6.804 8.884 -6.745 1.00 32.40 H new ATOM 0 HD2 LYS A 28 4.390 9.124 -7.334 1.00 32.52 H new ATOM 0 HD3 LYS A 28 4.809 10.265 -8.596 1.00 32.52 H new ATOM 0 HE2 LYS A 28 6.140 8.519 -9.756 1.00 41.42 H new ATOM 0 HE3 LYS A 28 5.774 7.376 -8.479 1.00 41.42 H new ATOM 0 HZ1 LYS A 28 4.366 7.445 -10.655 1.00 51.30 H new ATOM 0 HZ2 LYS A 28 3.617 7.146 -9.161 1.00 51.30 H new ATOM 0 HZ3 LYS A 28 3.533 8.692 -9.858 1.00 51.30 H new ATOM 482 N PHE A 29 6.455 12.253 -3.515 1.00 50.32 N ATOM 483 CA PHE A 29 6.060 13.304 -2.567 1.00 44.15 C ATOM 484 C PHE A 29 7.034 13.399 -1.379 1.00 2.11 C ATOM 485 O PHE A 29 6.912 14.294 -0.539 1.00 53.44 O ATOM 486 CB PHE A 29 4.637 13.035 -2.053 1.00 65.42 C ATOM 487 CG PHE A 29 3.611 12.899 -3.152 1.00 64.22 C ATOM 488 CD1 PHE A 29 3.076 14.025 -3.762 1.00 71.03 C ATOM 489 CD2 PHE A 29 3.187 11.647 -3.578 1.00 12.52 C ATOM 490 CE1 PHE A 29 2.140 13.904 -4.774 1.00 62.23 C ATOM 491 CE2 PHE A 29 2.250 11.522 -4.587 1.00 74.14 C ATOM 492 CZ PHE A 29 1.727 12.652 -5.186 1.00 74.22 C ATOM 0 H PHE A 29 6.158 11.316 -3.244 1.00 50.32 H new ATOM 0 HA PHE A 29 6.088 14.256 -3.097 1.00 44.15 H new ATOM 0 HB2 PHE A 29 4.642 12.122 -1.457 1.00 65.42 H new ATOM 0 HB3 PHE A 29 4.340 13.847 -1.389 1.00 65.42 H new ATOM 0 HD1 PHE A 29 3.394 15.007 -3.443 1.00 71.03 H new ATOM 0 HD2 PHE A 29 3.594 10.760 -3.115 1.00 12.52 H new ATOM 0 HE1 PHE A 29 1.733 14.788 -5.242 1.00 62.23 H new ATOM 0 HE2 PHE A 29 1.927 10.542 -4.907 1.00 74.14 H new ATOM 0 HZ PHE A 29 0.996 12.556 -5.975 1.00 74.22 H new ATOM 502 N ALA A 30 7.988 12.466 -1.309 1.00 2.44 N ATOM 503 CA ALA A 30 8.992 12.436 -0.234 1.00 14.53 C ATOM 504 C ALA A 30 8.343 12.289 1.155 1.00 42.34 C ATOM 505 O ALA A 30 8.753 12.938 2.121 1.00 2.33 O ATOM 506 CB ALA A 30 9.865 13.688 -0.299 1.00 1.42 C ATOM 0 H ALA A 30 8.089 11.713 -1.990 1.00 2.44 H new ATOM 0 HA ALA A 30 9.620 11.558 -0.386 1.00 14.53 H new ATOM 0 HB1 ALA A 30 10.605 13.657 0.500 1.00 1.42 H new ATOM 0 HB2 ALA A 30 10.373 13.728 -1.263 1.00 1.42 H new ATOM 0 HB3 ALA A 30 9.240 14.574 -0.181 1.00 1.42 H new ATOM 512 N GLY A 31 7.346 11.410 1.251 1.00 62.01 N ATOM 513 CA GLY A 31 6.636 11.202 2.513 1.00 33.43 C ATOM 514 C GLY A 31 7.286 10.155 3.422 1.00 63.14 C ATOM 515 O GLY A 31 8.353 9.619 3.113 1.00 72.34 O ATOM 0 H GLY A 31 7.014 10.835 0.477 1.00 62.01 H new ATOM 0 HA2 GLY A 31 6.580 12.150 3.048 1.00 33.43 H new ATOM 0 HA3 GLY A 31 5.612 10.897 2.297 1.00 33.43 H new ATOM 519 N THR A 32 6.633 9.866 4.549 1.00 4.01 N ATOM 520 CA THR A 32 7.130 8.882 5.525 1.00 51.32 C ATOM 521 C THR A 32 6.511 7.497 5.286 1.00 63.20 C ATOM 522 O THR A 32 5.294 7.370 5.148 1.00 51.20 O ATOM 523 CB THR A 32 6.811 9.322 6.979 1.00 5.21 C ATOM 524 OG1 THR A 32 7.300 10.653 7.219 1.00 74.31 O ATOM 525 CG2 THR A 32 7.427 8.365 7.998 1.00 73.24 C ATOM 0 H THR A 32 5.750 10.302 4.814 1.00 4.01 H new ATOM 0 HA THR A 32 8.210 8.825 5.390 1.00 51.32 H new ATOM 0 HB THR A 32 5.727 9.304 7.096 1.00 5.21 H new ATOM 0 HG1 THR A 32 7.090 10.918 8.139 1.00 74.31 H new ATOM 0 HG21 THR A 32 7.185 8.702 9.006 1.00 73.24 H new ATOM 0 HG22 THR A 32 7.027 7.363 7.844 1.00 73.24 H new ATOM 0 HG23 THR A 32 8.510 8.347 7.872 1.00 73.24 H new ATOM 533 N VAL A 33 7.349 6.458 5.251 1.00 10.12 N ATOM 534 CA VAL A 33 6.875 5.086 4.997 1.00 24.23 C ATOM 535 C VAL A 33 7.291 4.111 6.115 1.00 62.31 C ATOM 536 O VAL A 33 8.473 3.998 6.449 1.00 14.45 O ATOM 537 CB VAL A 33 7.408 4.543 3.644 1.00 50.21 C ATOM 538 CG1 VAL A 33 6.891 3.127 3.379 1.00 61.32 C ATOM 539 CG2 VAL A 33 7.034 5.479 2.499 1.00 60.44 C ATOM 0 H VAL A 33 8.356 6.535 5.394 1.00 10.12 H new ATOM 0 HA VAL A 33 5.787 5.146 4.966 1.00 24.23 H new ATOM 0 HB VAL A 33 8.495 4.498 3.705 1.00 50.21 H new ATOM 0 HG11 VAL A 33 7.279 2.770 2.425 1.00 61.32 H new ATOM 0 HG12 VAL A 33 7.223 2.463 4.177 1.00 61.32 H new ATOM 0 HG13 VAL A 33 5.802 3.138 3.346 1.00 61.32 H new ATOM 0 HG21 VAL A 33 7.418 5.078 1.561 1.00 60.44 H new ATOM 0 HG22 VAL A 33 5.949 5.566 2.439 1.00 60.44 H new ATOM 0 HG23 VAL A 33 7.467 6.463 2.677 1.00 60.44 H new ATOM 549 N THR A 34 6.308 3.415 6.685 1.00 72.12 N ATOM 550 CA THR A 34 6.562 2.353 7.675 1.00 50.34 C ATOM 551 C THR A 34 5.684 1.122 7.392 1.00 62.33 C ATOM 552 O THR A 34 4.545 1.258 6.950 1.00 32.51 O ATOM 553 CB THR A 34 6.304 2.841 9.124 1.00 3.12 C ATOM 554 OG1 THR A 34 6.445 1.749 10.047 1.00 11.04 O ATOM 555 CG2 THR A 34 4.914 3.456 9.267 1.00 41.05 C ATOM 0 H THR A 34 5.320 3.564 6.480 1.00 72.12 H new ATOM 0 HA THR A 34 7.614 2.081 7.584 1.00 50.34 H new ATOM 0 HB THR A 34 7.043 3.610 9.351 1.00 3.12 H new ATOM 0 HG1 THR A 34 6.282 2.068 10.959 1.00 11.04 H new ATOM 0 HG21 THR A 34 4.767 3.787 10.295 1.00 41.05 H new ATOM 0 HG22 THR A 34 4.822 4.309 8.594 1.00 41.05 H new ATOM 0 HG23 THR A 34 4.159 2.712 9.014 1.00 41.05 H new ATOM 563 N TYR A 35 6.212 -0.078 7.642 1.00 55.22 N ATOM 564 CA TYR A 35 5.485 -1.318 7.330 1.00 52.51 C ATOM 565 C TYR A 35 5.711 -2.417 8.385 1.00 41.43 C ATOM 566 O TYR A 35 6.818 -2.590 8.900 1.00 1.31 O ATOM 567 CB TYR A 35 5.881 -1.823 5.931 1.00 10.24 C ATOM 568 CG TYR A 35 7.368 -2.079 5.747 1.00 51.24 C ATOM 569 CD1 TYR A 35 8.238 -1.048 5.396 1.00 73.11 C ATOM 570 CD2 TYR A 35 7.900 -3.353 5.910 1.00 60.31 C ATOM 571 CE1 TYR A 35 9.589 -1.284 5.218 1.00 31.53 C ATOM 572 CE2 TYR A 35 9.248 -3.595 5.732 1.00 32.14 C ATOM 573 CZ TYR A 35 10.090 -2.559 5.385 1.00 40.03 C ATOM 574 OH TYR A 35 11.437 -2.801 5.200 1.00 4.02 O ATOM 0 H TYR A 35 7.133 -0.221 8.056 1.00 55.22 H new ATOM 0 HA TYR A 35 4.421 -1.083 7.344 1.00 52.51 H new ATOM 0 HB2 TYR A 35 5.339 -2.746 5.726 1.00 10.24 H new ATOM 0 HB3 TYR A 35 5.557 -1.092 5.190 1.00 10.24 H new ATOM 0 HD1 TYR A 35 7.851 -0.049 5.261 1.00 73.11 H new ATOM 0 HD2 TYR A 35 7.247 -4.169 6.181 1.00 60.31 H new ATOM 0 HE1 TYR A 35 10.250 -0.473 4.949 1.00 31.53 H new ATOM 0 HE2 TYR A 35 9.642 -4.592 5.864 1.00 32.14 H new ATOM 0 HH TYR A 35 11.624 -3.750 5.358 1.00 4.02 H new ATOM 584 N THR A 36 4.643 -3.154 8.701 1.00 2.01 N ATOM 585 CA THR A 36 4.689 -4.232 9.707 1.00 43.22 C ATOM 586 C THR A 36 4.428 -5.610 9.076 1.00 1.12 C ATOM 587 O THR A 36 3.589 -5.746 8.182 1.00 43.14 O ATOM 588 CB THR A 36 3.637 -4.008 10.821 1.00 71.34 C ATOM 589 OG1 THR A 36 2.312 -4.098 10.275 1.00 63.23 O ATOM 590 CG2 THR A 36 3.823 -2.649 11.491 1.00 1.31 C ATOM 0 H THR A 36 3.726 -3.026 8.273 1.00 2.01 H new ATOM 0 HA THR A 36 5.692 -4.208 10.132 1.00 43.22 H new ATOM 0 HB THR A 36 3.775 -4.785 11.573 1.00 71.34 H new ATOM 0 HG1 THR A 36 1.654 -3.957 10.988 1.00 63.23 H new ATOM 0 HG21 THR A 36 3.070 -2.521 12.269 1.00 1.31 H new ATOM 0 HG22 THR A 36 4.817 -2.596 11.936 1.00 1.31 H new ATOM 0 HG23 THR A 36 3.715 -1.859 10.748 1.00 1.31 H new ATOM 598 N LEU A 37 5.145 -6.633 9.552 1.00 44.22 N ATOM 599 CA LEU A 37 4.985 -8.008 9.047 1.00 62.51 C ATOM 600 C LEU A 37 4.399 -8.951 10.113 1.00 62.21 C ATOM 601 O LEU A 37 4.937 -9.076 11.217 1.00 74.43 O ATOM 602 CB LEU A 37 6.334 -8.578 8.560 1.00 25.40 C ATOM 603 CG LEU A 37 6.814 -8.097 7.179 1.00 2.31 C ATOM 604 CD1 LEU A 37 5.761 -8.387 6.113 1.00 3.02 C ATOM 605 CD2 LEU A 37 7.175 -6.615 7.205 1.00 2.24 C ATOM 0 H LEU A 37 5.845 -6.538 10.288 1.00 44.22 H new ATOM 0 HA LEU A 37 4.287 -7.951 8.212 1.00 62.51 H new ATOM 0 HB2 LEU A 37 7.098 -8.326 9.295 1.00 25.40 H new ATOM 0 HB3 LEU A 37 6.259 -9.665 8.537 1.00 25.40 H new ATOM 0 HG LEU A 37 7.718 -8.651 6.924 1.00 2.31 H new ATOM 0 HD11 LEU A 37 6.119 -8.040 5.144 1.00 3.02 H new ATOM 0 HD12 LEU A 37 5.575 -9.460 6.068 1.00 3.02 H new ATOM 0 HD13 LEU A 37 4.836 -7.869 6.365 1.00 3.02 H new ATOM 0 HD21 LEU A 37 7.510 -6.305 6.215 1.00 2.24 H new ATOM 0 HD22 LEU A 37 6.299 -6.032 7.491 1.00 2.24 H new ATOM 0 HD23 LEU A 37 7.974 -6.448 7.928 1.00 2.24 H new ATOM 617 N ASP A 38 3.305 -9.626 9.766 1.00 73.21 N ATOM 618 CA ASP A 38 2.704 -10.644 10.635 1.00 50.14 C ATOM 619 C ASP A 38 2.191 -11.829 9.796 1.00 23.11 C ATOM 620 O ASP A 38 1.094 -11.780 9.243 1.00 54.55 O ATOM 621 CB ASP A 38 1.564 -10.034 11.465 1.00 64.23 C ATOM 622 CG ASP A 38 1.041 -10.984 12.533 1.00 45.24 C ATOM 623 OD1 ASP A 38 1.664 -11.074 13.612 1.00 73.21 O ATOM 624 OD2 ASP A 38 0.009 -11.649 12.307 1.00 44.33 O ATOM 0 H ASP A 38 2.812 -9.487 8.884 1.00 73.21 H new ATOM 0 HA ASP A 38 3.468 -11.013 11.320 1.00 50.14 H new ATOM 0 HB2 ASP A 38 1.916 -9.118 11.940 1.00 64.23 H new ATOM 0 HB3 ASP A 38 0.746 -9.755 10.801 1.00 64.23 H new ATOM 629 N GLY A 39 3.002 -12.881 9.685 1.00 50.50 N ATOM 630 CA GLY A 39 2.640 -14.026 8.851 1.00 2.34 C ATOM 631 C GLY A 39 2.600 -13.686 7.359 1.00 61.22 C ATOM 632 O GLY A 39 3.639 -13.617 6.698 1.00 24.31 O ATOM 0 H GLY A 39 3.903 -12.964 10.156 1.00 50.50 H new ATOM 0 HA2 GLY A 39 3.357 -14.831 9.016 1.00 2.34 H new ATOM 0 HA3 GLY A 39 1.664 -14.400 9.160 1.00 2.34 H new ATOM 636 N ASN A 40 1.396 -13.483 6.825 1.00 22.04 N ATOM 637 CA ASN A 40 1.219 -13.063 5.423 1.00 10.33 C ATOM 638 C ASN A 40 0.714 -11.614 5.342 1.00 13.25 C ATOM 639 O ASN A 40 0.438 -11.097 4.255 1.00 70.43 O ATOM 640 CB ASN A 40 0.226 -13.991 4.709 1.00 22.43 C ATOM 641 CG ASN A 40 0.688 -15.436 4.681 1.00 55.04 C ATOM 642 OD1 ASN A 40 1.880 -15.722 4.658 1.00 52.02 O ATOM 643 ND2 ASN A 40 -0.250 -16.358 4.680 1.00 70.30 N ATOM 0 H ASN A 40 0.523 -13.601 7.338 1.00 22.04 H new ATOM 0 HA ASN A 40 2.190 -13.124 4.931 1.00 10.33 H new ATOM 0 HB2 ASN A 40 -0.741 -13.933 5.208 1.00 22.43 H new ATOM 0 HB3 ASN A 40 0.079 -13.641 3.687 1.00 22.43 H new ATOM 0 HD21 ASN A 40 0.005 -17.345 4.660 1.00 70.30 H new ATOM 0 HD22 ASN A 40 -1.233 -16.086 4.700 1.00 70.30 H new ATOM 650 N ASP A 41 0.602 -10.968 6.499 1.00 73.11 N ATOM 651 CA ASP A 41 0.040 -9.619 6.599 1.00 1.14 C ATOM 652 C ASP A 41 1.130 -8.534 6.548 1.00 23.21 C ATOM 653 O ASP A 41 2.125 -8.599 7.276 1.00 53.11 O ATOM 654 CB ASP A 41 -0.755 -9.495 7.903 1.00 2.04 C ATOM 655 CG ASP A 41 -1.903 -10.490 7.984 1.00 13.43 C ATOM 656 OD1 ASP A 41 -1.642 -11.715 8.022 1.00 72.13 O ATOM 657 OD2 ASP A 41 -3.073 -10.052 8.038 1.00 2.51 O ATOM 0 H ASP A 41 0.897 -11.361 7.393 1.00 73.11 H new ATOM 0 HA ASP A 41 -0.615 -9.465 5.742 1.00 1.14 H new ATOM 0 HB2 ASP A 41 -0.085 -9.649 8.749 1.00 2.04 H new ATOM 0 HB3 ASP A 41 -1.150 -8.483 7.989 1.00 2.04 H new ATOM 662 N LEU A 42 0.921 -7.533 5.694 1.00 20.52 N ATOM 663 CA LEU A 42 1.853 -6.410 5.538 1.00 33.40 C ATOM 664 C LEU A 42 1.106 -5.065 5.579 1.00 32.33 C ATOM 665 O LEU A 42 0.480 -4.666 4.598 1.00 74.41 O ATOM 666 CB LEU A 42 2.616 -6.542 4.206 1.00 63.21 C ATOM 667 CG LEU A 42 3.500 -5.341 3.815 1.00 62.10 C ATOM 668 CD1 LEU A 42 4.645 -5.156 4.805 1.00 45.54 C ATOM 669 CD2 LEU A 42 4.027 -5.500 2.387 1.00 21.32 C ATOM 0 H LEU A 42 0.102 -7.475 5.089 1.00 20.52 H new ATOM 0 HA LEU A 42 2.561 -6.436 6.366 1.00 33.40 H new ATOM 0 HB2 LEU A 42 3.245 -7.431 4.257 1.00 63.21 H new ATOM 0 HB3 LEU A 42 1.891 -6.710 3.409 1.00 63.21 H new ATOM 0 HG LEU A 42 2.884 -4.442 3.851 1.00 62.10 H new ATOM 0 HD11 LEU A 42 5.252 -4.302 4.504 1.00 45.54 H new ATOM 0 HD12 LEU A 42 4.240 -4.980 5.801 1.00 45.54 H new ATOM 0 HD13 LEU A 42 5.263 -6.054 4.818 1.00 45.54 H new ATOM 0 HD21 LEU A 42 4.648 -4.642 2.131 1.00 21.32 H new ATOM 0 HD22 LEU A 42 4.621 -6.412 2.318 1.00 21.32 H new ATOM 0 HD23 LEU A 42 3.188 -5.560 1.694 1.00 21.32 H new ATOM 681 N GLU A 43 1.156 -4.374 6.717 1.00 71.53 N ATOM 682 CA GLU A 43 0.515 -3.059 6.839 1.00 31.52 C ATOM 683 C GLU A 43 1.528 -1.929 6.625 1.00 32.11 C ATOM 684 O GLU A 43 2.404 -1.700 7.458 1.00 14.33 O ATOM 685 CB GLU A 43 -0.168 -2.902 8.208 1.00 21.45 C ATOM 686 CG GLU A 43 -0.842 -1.541 8.404 1.00 75.01 C ATOM 687 CD GLU A 43 -1.723 -1.481 9.644 1.00 23.31 C ATOM 688 OE1 GLU A 43 -1.180 -1.378 10.765 1.00 64.23 O ATOM 689 OE2 GLU A 43 -2.966 -1.537 9.506 1.00 24.12 O ATOM 0 H GLU A 43 1.628 -4.696 7.562 1.00 71.53 H new ATOM 0 HA GLU A 43 -0.246 -2.993 6.062 1.00 31.52 H new ATOM 0 HB2 GLU A 43 -0.914 -3.688 8.325 1.00 21.45 H new ATOM 0 HB3 GLU A 43 0.574 -3.047 8.994 1.00 21.45 H new ATOM 0 HG2 GLU A 43 -0.075 -0.770 8.474 1.00 75.01 H new ATOM 0 HG3 GLU A 43 -1.446 -1.312 7.526 1.00 75.01 H new ATOM 696 N ILE A 44 1.413 -1.243 5.490 1.00 65.42 N ATOM 697 CA ILE A 44 2.287 -0.112 5.165 1.00 64.40 C ATOM 698 C ILE A 44 1.567 1.223 5.407 1.00 14.43 C ATOM 699 O ILE A 44 0.661 1.590 4.662 1.00 33.24 O ATOM 700 CB ILE A 44 2.742 -0.165 3.681 1.00 2.15 C ATOM 701 CG1 ILE A 44 3.322 -1.546 3.340 1.00 53.32 C ATOM 702 CG2 ILE A 44 3.769 0.935 3.393 1.00 23.14 C ATOM 703 CD1 ILE A 44 3.714 -1.703 1.884 1.00 12.24 C ATOM 0 H ILE A 44 0.718 -1.451 4.773 1.00 65.42 H new ATOM 0 HA ILE A 44 3.159 -0.184 5.816 1.00 64.40 H new ATOM 0 HB ILE A 44 1.869 0.005 3.050 1.00 2.15 H new ATOM 0 HG12 ILE A 44 4.198 -1.726 3.964 1.00 53.32 H new ATOM 0 HG13 ILE A 44 2.588 -2.311 3.593 1.00 53.32 H new ATOM 0 HG21 ILE A 44 4.076 0.882 2.348 1.00 23.14 H new ATOM 0 HG22 ILE A 44 3.323 1.910 3.591 1.00 23.14 H new ATOM 0 HG23 ILE A 44 4.639 0.797 4.034 1.00 23.14 H new ATOM 0 HD11 ILE A 44 4.115 -2.703 1.721 1.00 12.24 H new ATOM 0 HD12 ILE A 44 2.837 -1.556 1.253 1.00 12.24 H new ATOM 0 HD13 ILE A 44 4.472 -0.962 1.629 1.00 12.24 H new ATOM 715 N ARG A 45 1.968 1.947 6.446 1.00 54.02 N ATOM 716 CA ARG A 45 1.396 3.269 6.722 1.00 43.02 C ATOM 717 C ARG A 45 2.243 4.373 6.072 1.00 33.42 C ATOM 718 O ARG A 45 3.384 4.618 6.477 1.00 54.32 O ATOM 719 CB ARG A 45 1.288 3.521 8.234 1.00 22.52 C ATOM 720 CG ARG A 45 0.653 4.870 8.578 1.00 12.10 C ATOM 721 CD ARG A 45 0.661 5.142 10.079 1.00 61.42 C ATOM 722 NE ARG A 45 -0.092 4.142 10.830 1.00 32.12 N ATOM 723 CZ ARG A 45 -0.083 4.044 12.134 1.00 3.13 C ATOM 724 NH1 ARG A 45 0.563 4.904 12.856 1.00 12.34 N ATOM 725 NH2 ARG A 45 -0.747 3.099 12.718 1.00 12.21 N ATOM 0 H ARG A 45 2.682 1.647 7.110 1.00 54.02 H new ATOM 0 HA ARG A 45 0.394 3.290 6.294 1.00 43.02 H new ATOM 0 HB2 ARG A 45 0.699 2.724 8.687 1.00 22.52 H new ATOM 0 HB3 ARG A 45 2.283 3.472 8.676 1.00 22.52 H new ATOM 0 HG2 ARG A 45 1.192 5.666 8.063 1.00 12.10 H new ATOM 0 HG3 ARG A 45 -0.373 4.891 8.212 1.00 12.10 H new ATOM 0 HD2 ARG A 45 1.691 5.162 10.436 1.00 61.42 H new ATOM 0 HD3 ARG A 45 0.239 6.129 10.269 1.00 61.42 H new ATOM 0 HE ARG A 45 -0.661 3.478 10.305 1.00 32.12 H new ATOM 0 HH11 ARG A 45 1.071 5.667 12.408 1.00 12.34 H new ATOM 0 HH12 ARG A 45 0.564 4.818 13.872 1.00 12.34 H new ATOM 0 HH21 ARG A 45 -1.278 2.430 12.161 1.00 12.21 H new ATOM 0 HH22 ARG A 45 -0.739 3.024 13.735 1.00 12.21 H new ATOM 739 N ILE A 46 1.690 5.028 5.055 1.00 31.13 N ATOM 740 CA ILE A 46 2.382 6.128 4.379 1.00 40.14 C ATOM 741 C ILE A 46 1.832 7.486 4.846 1.00 33.13 C ATOM 742 O ILE A 46 0.691 7.855 4.545 1.00 50.24 O ATOM 743 CB ILE A 46 2.255 6.018 2.838 1.00 0.51 C ATOM 744 CG1 ILE A 46 2.694 4.621 2.361 1.00 3.40 C ATOM 745 CG2 ILE A 46 3.091 7.103 2.159 1.00 65.24 C ATOM 746 CD1 ILE A 46 2.524 4.397 0.872 1.00 44.32 C ATOM 0 H ILE A 46 0.765 4.818 4.679 1.00 31.13 H new ATOM 0 HA ILE A 46 3.437 6.057 4.644 1.00 40.14 H new ATOM 0 HB ILE A 46 1.210 6.163 2.563 1.00 0.51 H new ATOM 0 HG12 ILE A 46 3.741 4.471 2.623 1.00 3.40 H new ATOM 0 HG13 ILE A 46 2.119 3.867 2.899 1.00 3.40 H new ATOM 0 HG21 ILE A 46 2.993 7.014 1.077 1.00 65.24 H new ATOM 0 HG22 ILE A 46 2.739 8.085 2.476 1.00 65.24 H new ATOM 0 HG23 ILE A 46 4.138 6.985 2.439 1.00 65.24 H new ATOM 0 HD11 ILE A 46 2.855 3.391 0.615 1.00 44.32 H new ATOM 0 HD12 ILE A 46 1.474 4.513 0.604 1.00 44.32 H new ATOM 0 HD13 ILE A 46 3.121 5.126 0.324 1.00 44.32 H new ATOM 758 N THR A 47 2.650 8.220 5.589 1.00 72.24 N ATOM 759 CA THR A 47 2.259 9.523 6.135 1.00 53.11 C ATOM 760 C THR A 47 2.777 10.670 5.256 1.00 65.41 C ATOM 761 O THR A 47 3.954 10.705 4.898 1.00 43.33 O ATOM 762 CB THR A 47 2.803 9.708 7.575 1.00 42.54 C ATOM 763 OG1 THR A 47 2.508 8.545 8.364 1.00 15.51 O ATOM 764 CG2 THR A 47 2.202 10.942 8.244 1.00 11.54 C ATOM 0 H THR A 47 3.599 7.935 5.832 1.00 72.24 H new ATOM 0 HA THR A 47 1.169 9.549 6.154 1.00 53.11 H new ATOM 0 HB THR A 47 3.882 9.846 7.508 1.00 42.54 H new ATOM 0 HG1 THR A 47 1.721 8.719 8.921 1.00 15.51 H new ATOM 0 HG21 THR A 47 2.605 11.042 9.252 1.00 11.54 H new ATOM 0 HG22 THR A 47 2.453 11.829 7.663 1.00 11.54 H new ATOM 0 HG23 THR A 47 1.118 10.837 8.295 1.00 11.54 H new ATOM 772 N GLY A 48 1.896 11.605 4.906 1.00 52.32 N ATOM 773 CA GLY A 48 2.299 12.751 4.091 1.00 0.54 C ATOM 774 C GLY A 48 1.619 12.797 2.723 1.00 0.21 C ATOM 775 O GLY A 48 1.632 13.832 2.055 1.00 0.23 O ATOM 0 H GLY A 48 0.911 11.594 5.169 1.00 52.32 H new ATOM 0 HA2 GLY A 48 2.071 13.669 4.632 1.00 0.54 H new ATOM 0 HA3 GLY A 48 3.379 12.724 3.950 1.00 0.54 H new ATOM 779 N VAL A 49 1.026 11.681 2.299 1.00 73.11 N ATOM 780 CA VAL A 49 0.345 11.615 0.997 1.00 34.33 C ATOM 781 C VAL A 49 -0.830 12.610 0.906 1.00 3.33 C ATOM 782 O VAL A 49 -1.598 12.772 1.861 1.00 21.15 O ATOM 783 CB VAL A 49 -0.154 10.181 0.687 1.00 14.12 C ATOM 784 CG1 VAL A 49 1.024 9.254 0.394 1.00 22.25 C ATOM 785 CG2 VAL A 49 -0.999 9.636 1.837 1.00 55.42 C ATOM 0 H VAL A 49 1.001 10.812 2.832 1.00 73.11 H new ATOM 0 HA VAL A 49 1.086 11.896 0.249 1.00 34.33 H new ATOM 0 HB VAL A 49 -0.784 10.226 -0.201 1.00 14.12 H new ATOM 0 HG11 VAL A 49 0.654 8.252 0.179 1.00 22.25 H new ATOM 0 HG12 VAL A 49 1.577 9.629 -0.467 1.00 22.25 H new ATOM 0 HG13 VAL A 49 1.683 9.219 1.261 1.00 22.25 H new ATOM 0 HG21 VAL A 49 -1.337 8.628 1.595 1.00 55.42 H new ATOM 0 HG22 VAL A 49 -0.400 9.609 2.747 1.00 55.42 H new ATOM 0 HG23 VAL A 49 -1.864 10.281 1.991 1.00 55.42 H new ATOM 795 N PRO A 50 -0.987 13.287 -0.253 1.00 51.01 N ATOM 796 CA PRO A 50 -1.982 14.364 -0.432 1.00 61.20 C ATOM 797 C PRO A 50 -3.433 13.867 -0.590 1.00 61.24 C ATOM 798 O PRO A 50 -3.716 12.670 -0.508 1.00 50.25 O ATOM 799 CB PRO A 50 -1.500 15.052 -1.713 1.00 60.25 C ATOM 800 CG PRO A 50 -0.848 13.967 -2.496 1.00 44.12 C ATOM 801 CD PRO A 50 -0.198 13.061 -1.485 1.00 54.12 C ATOM 0 HA PRO A 50 -2.033 15.010 0.445 1.00 61.20 H new ATOM 0 HB2 PRO A 50 -2.331 15.494 -2.263 1.00 60.25 H new ATOM 0 HB3 PRO A 50 -0.800 15.858 -1.492 1.00 60.25 H new ATOM 0 HG2 PRO A 50 -1.579 13.423 -3.094 1.00 44.12 H new ATOM 0 HG3 PRO A 50 -0.110 14.374 -3.187 1.00 44.12 H new ATOM 0 HD2 PRO A 50 -0.236 12.018 -1.799 1.00 54.12 H new ATOM 0 HD3 PRO A 50 0.853 13.312 -1.339 1.00 54.12 H new ATOM 809 N GLU A 51 -4.353 14.809 -0.819 1.00 3.34 N ATOM 810 CA GLU A 51 -5.789 14.499 -0.917 1.00 54.54 C ATOM 811 C GLU A 51 -6.229 14.182 -2.360 1.00 35.44 C ATOM 812 O GLU A 51 -6.867 13.160 -2.605 1.00 41.41 O ATOM 813 CB GLU A 51 -6.612 15.672 -0.351 1.00 60.14 C ATOM 814 CG GLU A 51 -6.428 16.986 -1.112 1.00 40.20 C ATOM 815 CD GLU A 51 -6.948 18.195 -0.348 1.00 64.30 C ATOM 816 OE1 GLU A 51 -8.142 18.528 -0.486 1.00 12.02 O ATOM 817 OE2 GLU A 51 -6.155 18.826 0.391 1.00 54.34 O ATOM 0 H GLU A 51 -4.131 15.797 -0.941 1.00 3.34 H new ATOM 0 HA GLU A 51 -5.972 13.600 -0.328 1.00 54.54 H new ATOM 0 HB2 GLU A 51 -7.668 15.401 -0.364 1.00 60.14 H new ATOM 0 HB3 GLU A 51 -6.336 15.826 0.692 1.00 60.14 H new ATOM 0 HG2 GLU A 51 -5.369 17.128 -1.329 1.00 40.20 H new ATOM 0 HG3 GLU A 51 -6.944 16.920 -2.070 1.00 40.20 H new ATOM 824 N GLN A 52 -5.878 15.049 -3.311 1.00 65.42 N ATOM 825 CA GLN A 52 -6.352 14.910 -4.697 1.00 21.41 C ATOM 826 C GLN A 52 -5.837 13.626 -5.374 1.00 60.30 C ATOM 827 O GLN A 52 -6.582 12.944 -6.078 1.00 41.13 O ATOM 828 CB GLN A 52 -5.956 16.146 -5.521 1.00 52.11 C ATOM 829 CG GLN A 52 -4.454 16.431 -5.548 1.00 64.30 C ATOM 830 CD GLN A 52 -4.095 17.612 -6.437 1.00 33.34 C ATOM 831 OE1 GLN A 52 -4.769 17.895 -7.422 1.00 40.31 O ATOM 832 NE2 GLN A 52 -3.024 18.304 -6.106 1.00 70.44 N ATOM 0 H GLN A 52 -5.270 15.853 -3.152 1.00 65.42 H new ATOM 0 HA GLN A 52 -7.439 14.833 -4.657 1.00 21.41 H new ATOM 0 HB2 GLN A 52 -6.307 16.013 -6.544 1.00 52.11 H new ATOM 0 HB3 GLN A 52 -6.472 17.017 -5.118 1.00 52.11 H new ATOM 0 HG2 GLN A 52 -4.108 16.627 -4.533 1.00 64.30 H new ATOM 0 HG3 GLN A 52 -3.927 15.544 -5.899 1.00 64.30 H new ATOM 0 HE21 GLN A 52 -2.484 18.044 -5.281 1.00 70.44 H new ATOM 0 HE22 GLN A 52 -2.735 19.100 -6.675 1.00 70.44 H new ATOM 841 N VAL A 53 -4.573 13.283 -5.134 1.00 10.24 N ATOM 842 CA VAL A 53 -3.950 12.107 -5.764 1.00 61.12 C ATOM 843 C VAL A 53 -4.466 10.785 -5.151 1.00 12.01 C ATOM 844 O VAL A 53 -4.122 9.695 -5.613 1.00 75.30 O ATOM 845 CB VAL A 53 -2.400 12.176 -5.641 1.00 1.02 C ATOM 846 CG1 VAL A 53 -1.724 11.062 -6.442 1.00 33.23 C ATOM 847 CG2 VAL A 53 -1.892 13.546 -6.089 1.00 21.11 C ATOM 0 H VAL A 53 -3.955 13.799 -4.508 1.00 10.24 H new ATOM 0 HA VAL A 53 -4.229 12.121 -6.818 1.00 61.12 H new ATOM 0 HB VAL A 53 -2.141 12.031 -4.592 1.00 1.02 H new ATOM 0 HG11 VAL A 53 -0.642 11.141 -6.333 1.00 33.23 H new ATOM 0 HG12 VAL A 53 -2.057 10.093 -6.070 1.00 33.23 H new ATOM 0 HG13 VAL A 53 -1.991 11.157 -7.495 1.00 33.23 H new ATOM 0 HG21 VAL A 53 -0.806 13.579 -5.997 1.00 21.11 H new ATOM 0 HG22 VAL A 53 -2.174 13.717 -7.128 1.00 21.11 H new ATOM 0 HG23 VAL A 53 -2.333 14.321 -5.462 1.00 21.11 H new ATOM 857 N ARG A 54 -5.319 10.892 -4.126 1.00 61.25 N ATOM 858 CA ARG A 54 -5.860 9.719 -3.417 1.00 23.53 C ATOM 859 C ARG A 54 -6.463 8.683 -4.385 1.00 31.04 C ATOM 860 O ARG A 54 -6.356 7.475 -4.159 1.00 31.12 O ATOM 861 CB ARG A 54 -6.924 10.168 -2.407 1.00 1.04 C ATOM 862 CG ARG A 54 -7.414 9.064 -1.475 1.00 44.12 C ATOM 863 CD ARG A 54 -6.285 8.557 -0.590 1.00 20.10 C ATOM 864 NE ARG A 54 -5.557 9.664 0.029 1.00 72.32 N ATOM 865 CZ ARG A 54 -4.480 9.533 0.745 1.00 71.24 C ATOM 866 NH1 ARG A 54 -3.994 8.359 1.011 1.00 51.32 N ATOM 867 NH2 ARG A 54 -3.885 10.592 1.191 1.00 60.44 N ATOM 0 H ARG A 54 -5.654 11.785 -3.764 1.00 61.25 H new ATOM 0 HA ARG A 54 -5.032 9.239 -2.896 1.00 23.53 H new ATOM 0 HB2 ARG A 54 -6.516 10.980 -1.805 1.00 1.04 H new ATOM 0 HB3 ARG A 54 -7.777 10.572 -2.952 1.00 1.04 H new ATOM 0 HG2 ARG A 54 -8.226 9.441 -0.854 1.00 44.12 H new ATOM 0 HG3 ARG A 54 -7.818 8.240 -2.063 1.00 44.12 H new ATOM 0 HD2 ARG A 54 -6.691 7.908 0.185 1.00 20.10 H new ATOM 0 HD3 ARG A 54 -5.598 7.954 -1.183 1.00 20.10 H new ATOM 0 HE ARG A 54 -5.920 10.607 -0.111 1.00 72.32 H new ATOM 0 HH11 ARG A 54 -4.458 7.523 0.657 1.00 51.32 H new ATOM 0 HH12 ARG A 54 -3.148 8.273 1.574 1.00 51.32 H new ATOM 0 HH21 ARG A 54 -4.262 11.516 0.980 1.00 60.44 H new ATOM 0 HH22 ARG A 54 -3.039 10.503 1.754 1.00 60.44 H new ATOM 881 N LYS A 55 -7.078 9.173 -5.462 1.00 52.01 N ATOM 882 CA LYS A 55 -7.701 8.309 -6.476 1.00 64.41 C ATOM 883 C LYS A 55 -6.694 7.294 -7.043 1.00 12.14 C ATOM 884 O LYS A 55 -6.933 6.083 -7.037 1.00 31.24 O ATOM 885 CB LYS A 55 -8.266 9.164 -7.623 1.00 75.42 C ATOM 886 CG LYS A 55 -9.219 10.269 -7.174 1.00 14.00 C ATOM 887 CD LYS A 55 -10.470 9.714 -6.495 1.00 11.52 C ATOM 888 CE LYS A 55 -11.422 10.832 -6.084 1.00 14.52 C ATOM 889 NZ LYS A 55 -12.678 10.312 -5.478 1.00 2.42 N ATOM 0 H LYS A 55 -7.160 10.170 -5.659 1.00 52.01 H new ATOM 0 HA LYS A 55 -8.509 7.760 -5.993 1.00 64.41 H new ATOM 0 HB2 LYS A 55 -7.436 9.615 -8.167 1.00 75.42 H new ATOM 0 HB3 LYS A 55 -8.789 8.512 -8.323 1.00 75.42 H new ATOM 0 HG2 LYS A 55 -8.700 10.936 -6.486 1.00 14.00 H new ATOM 0 HG3 LYS A 55 -9.512 10.867 -8.037 1.00 14.00 H new ATOM 0 HD2 LYS A 55 -10.981 9.030 -7.173 1.00 11.52 H new ATOM 0 HD3 LYS A 55 -10.183 9.137 -5.616 1.00 11.52 H new ATOM 0 HE2 LYS A 55 -10.922 11.488 -5.371 1.00 14.52 H new ATOM 0 HE3 LYS A 55 -11.666 11.437 -6.957 1.00 14.52 H new ATOM 0 HZ1 LYS A 55 -13.292 11.109 -5.215 1.00 2.42 H new ATOM 0 HZ2 LYS A 55 -13.171 9.707 -6.166 1.00 2.42 H new ATOM 0 HZ3 LYS A 55 -12.450 9.756 -4.629 1.00 2.42 H new ATOM 903 N GLU A 56 -5.560 7.798 -7.522 1.00 10.31 N ATOM 904 CA GLU A 56 -4.524 6.942 -8.106 1.00 43.35 C ATOM 905 C GLU A 56 -3.751 6.164 -7.030 1.00 52.15 C ATOM 906 O GLU A 56 -3.319 5.040 -7.267 1.00 1.45 O ATOM 907 CB GLU A 56 -3.562 7.762 -8.975 1.00 15.11 C ATOM 908 CG GLU A 56 -4.245 8.437 -10.163 1.00 35.15 C ATOM 909 CD GLU A 56 -3.262 8.888 -11.227 1.00 30.11 C ATOM 910 OE1 GLU A 56 -2.623 9.945 -11.053 1.00 2.12 O ATOM 911 OE2 GLU A 56 -3.109 8.170 -12.238 1.00 70.42 O ATOM 0 H GLU A 56 -5.333 8.792 -7.519 1.00 10.31 H new ATOM 0 HA GLU A 56 -5.028 6.213 -8.740 1.00 43.35 H new ATOM 0 HB2 GLU A 56 -3.086 8.524 -8.358 1.00 15.11 H new ATOM 0 HB3 GLU A 56 -2.770 7.109 -9.343 1.00 15.11 H new ATOM 0 HG2 GLU A 56 -4.961 7.745 -10.606 1.00 35.15 H new ATOM 0 HG3 GLU A 56 -4.811 9.299 -9.809 1.00 35.15 H new ATOM 918 N LEU A 57 -3.579 6.764 -5.850 1.00 4.21 N ATOM 919 CA LEU A 57 -2.932 6.075 -4.722 1.00 53.33 C ATOM 920 C LEU A 57 -3.665 4.764 -4.380 1.00 41.33 C ATOM 921 O LEU A 57 -3.041 3.729 -4.144 1.00 44.23 O ATOM 922 CB LEU A 57 -2.883 6.991 -3.490 1.00 34.11 C ATOM 923 CG LEU A 57 -2.024 8.259 -3.645 1.00 51.30 C ATOM 924 CD1 LEU A 57 -2.114 9.130 -2.393 1.00 14.10 C ATOM 925 CD2 LEU A 57 -0.572 7.894 -3.946 1.00 14.11 C ATOM 0 H LEU A 57 -3.875 7.719 -5.647 1.00 4.21 H new ATOM 0 HA LEU A 57 -1.913 5.829 -5.019 1.00 53.33 H new ATOM 0 HB2 LEU A 57 -3.901 7.290 -3.240 1.00 34.11 H new ATOM 0 HB3 LEU A 57 -2.503 6.416 -2.645 1.00 34.11 H new ATOM 0 HG LEU A 57 -2.413 8.832 -4.487 1.00 51.30 H new ATOM 0 HD11 LEU A 57 -1.499 10.021 -2.524 1.00 14.10 H new ATOM 0 HD12 LEU A 57 -3.150 9.425 -2.229 1.00 14.10 H new ATOM 0 HD13 LEU A 57 -1.757 8.566 -1.531 1.00 14.10 H new ATOM 0 HD21 LEU A 57 0.018 8.805 -4.052 1.00 14.11 H new ATOM 0 HD22 LEU A 57 -0.171 7.295 -3.129 1.00 14.11 H new ATOM 0 HD23 LEU A 57 -0.525 7.322 -4.873 1.00 14.11 H new ATOM 937 N ALA A 58 -4.996 4.819 -4.357 1.00 43.11 N ATOM 938 CA ALA A 58 -5.818 3.621 -4.151 1.00 74.11 C ATOM 939 C ALA A 58 -5.747 2.685 -5.368 1.00 0.11 C ATOM 940 O ALA A 58 -5.626 1.465 -5.226 1.00 64.23 O ATOM 941 CB ALA A 58 -7.262 4.018 -3.869 1.00 31.34 C ATOM 0 H ALA A 58 -5.531 5.679 -4.478 1.00 43.11 H new ATOM 0 HA ALA A 58 -5.425 3.081 -3.289 1.00 74.11 H new ATOM 0 HB1 ALA A 58 -7.863 3.121 -3.718 1.00 31.34 H new ATOM 0 HB2 ALA A 58 -7.301 4.636 -2.972 1.00 31.34 H new ATOM 0 HB3 ALA A 58 -7.657 4.581 -4.715 1.00 31.34 H new ATOM 947 N LYS A 59 -5.821 3.274 -6.563 1.00 21.11 N ATOM 948 CA LYS A 59 -5.734 2.527 -7.825 1.00 3.35 C ATOM 949 C LYS A 59 -4.433 1.704 -7.919 1.00 3.41 C ATOM 950 O LYS A 59 -4.434 0.572 -8.406 1.00 23.20 O ATOM 951 CB LYS A 59 -5.825 3.506 -9.007 1.00 12.15 C ATOM 952 CG LYS A 59 -5.773 2.840 -10.381 1.00 50.44 C ATOM 953 CD LYS A 59 -5.834 3.867 -11.513 1.00 42.43 C ATOM 954 CE LYS A 59 -4.648 4.829 -11.481 1.00 63.44 C ATOM 955 NZ LYS A 59 -4.722 5.845 -12.568 1.00 75.33 N ATOM 0 H LYS A 59 -5.943 4.279 -6.686 1.00 21.11 H new ATOM 0 HA LYS A 59 -6.567 1.825 -7.859 1.00 3.35 H new ATOM 0 HB2 LYS A 59 -6.754 4.071 -8.925 1.00 12.15 H new ATOM 0 HB3 LYS A 59 -5.008 4.224 -8.933 1.00 12.15 H new ATOM 0 HG2 LYS A 59 -4.856 2.257 -10.468 1.00 50.44 H new ATOM 0 HG3 LYS A 59 -6.605 2.142 -10.478 1.00 50.44 H new ATOM 0 HD2 LYS A 59 -5.854 3.348 -12.472 1.00 42.43 H new ATOM 0 HD3 LYS A 59 -6.762 4.434 -11.438 1.00 42.43 H new ATOM 0 HE2 LYS A 59 -4.617 5.333 -10.515 1.00 63.44 H new ATOM 0 HE3 LYS A 59 -3.721 4.264 -11.576 1.00 63.44 H new ATOM 0 HZ1 LYS A 59 -4.107 6.650 -12.333 1.00 75.33 H new ATOM 0 HZ2 LYS A 59 -4.408 5.419 -13.463 1.00 75.33 H new ATOM 0 HZ3 LYS A 59 -5.703 6.176 -12.668 1.00 75.33 H new ATOM 969 N GLU A 60 -3.327 2.285 -7.452 1.00 23.22 N ATOM 970 CA GLU A 60 -2.023 1.612 -7.470 1.00 23.04 C ATOM 971 C GLU A 60 -2.031 0.376 -6.556 1.00 21.24 C ATOM 972 O GLU A 60 -1.614 -0.715 -6.960 1.00 24.04 O ATOM 973 CB GLU A 60 -0.918 2.590 -7.032 1.00 13.34 C ATOM 974 CG GLU A 60 0.501 2.094 -7.305 1.00 14.13 C ATOM 975 CD GLU A 60 0.793 1.941 -8.792 1.00 10.52 C ATOM 976 OE1 GLU A 60 0.759 2.959 -9.518 1.00 44.32 O ATOM 977 OE2 GLU A 60 1.037 0.804 -9.250 1.00 31.04 O ATOM 0 H GLU A 60 -3.306 3.224 -7.055 1.00 23.22 H new ATOM 0 HA GLU A 60 -1.822 1.281 -8.489 1.00 23.04 H new ATOM 0 HB2 GLU A 60 -1.064 3.540 -7.546 1.00 13.34 H new ATOM 0 HB3 GLU A 60 -1.024 2.786 -5.965 1.00 13.34 H new ATOM 0 HG2 GLU A 60 1.216 2.791 -6.868 1.00 14.13 H new ATOM 0 HG3 GLU A 60 0.648 1.134 -6.809 1.00 14.13 H new ATOM 984 N ALA A 61 -2.525 0.555 -5.328 1.00 61.25 N ATOM 985 CA ALA A 61 -2.647 -0.548 -4.367 1.00 43.01 C ATOM 986 C ALA A 61 -3.524 -1.680 -4.926 1.00 45.54 C ATOM 987 O ALA A 61 -3.186 -2.862 -4.811 1.00 34.55 O ATOM 988 CB ALA A 61 -3.211 -0.033 -3.045 1.00 0.54 C ATOM 0 H ALA A 61 -2.848 1.455 -4.974 1.00 61.25 H new ATOM 0 HA ALA A 61 -1.652 -0.957 -4.190 1.00 43.01 H new ATOM 0 HB1 ALA A 61 -3.297 -0.860 -2.340 1.00 0.54 H new ATOM 0 HB2 ALA A 61 -2.544 0.725 -2.636 1.00 0.54 H new ATOM 0 HB3 ALA A 61 -4.195 0.403 -3.215 1.00 0.54 H new ATOM 994 N GLU A 62 -4.649 -1.308 -5.542 1.00 43.11 N ATOM 995 CA GLU A 62 -5.541 -2.280 -6.182 1.00 11.24 C ATOM 996 C GLU A 62 -4.821 -3.035 -7.310 1.00 42.50 C ATOM 997 O GLU A 62 -4.972 -4.250 -7.448 1.00 1.12 O ATOM 998 CB GLU A 62 -6.803 -1.584 -6.716 1.00 60.34 C ATOM 999 CG GLU A 62 -7.716 -1.045 -5.614 1.00 54.23 C ATOM 1000 CD GLU A 62 -8.971 -0.373 -6.154 1.00 71.44 C ATOM 1001 OE1 GLU A 62 -9.825 -1.078 -6.738 1.00 71.41 O ATOM 1002 OE2 GLU A 62 -9.107 0.861 -6.003 1.00 15.43 O ATOM 0 H GLU A 62 -4.964 -0.340 -5.611 1.00 43.11 H new ATOM 0 HA GLU A 62 -5.840 -3.009 -5.429 1.00 11.24 H new ATOM 0 HB2 GLU A 62 -6.507 -0.761 -7.366 1.00 60.34 H new ATOM 0 HB3 GLU A 62 -7.365 -2.288 -7.330 1.00 60.34 H new ATOM 0 HG2 GLU A 62 -8.004 -1.865 -4.956 1.00 54.23 H new ATOM 0 HG3 GLU A 62 -7.160 -0.330 -5.007 1.00 54.23 H new ATOM 1009 N ARG A 63 -4.035 -2.313 -8.113 1.00 11.45 N ATOM 1010 CA ARG A 63 -3.213 -2.948 -9.151 1.00 41.31 C ATOM 1011 C ARG A 63 -2.307 -4.026 -8.540 1.00 74.21 C ATOM 1012 O ARG A 63 -2.350 -5.186 -8.946 1.00 4.22 O ATOM 1013 CB ARG A 63 -2.345 -1.903 -9.878 1.00 33.42 C ATOM 1014 CG ARG A 63 -1.215 -2.517 -10.713 1.00 75.44 C ATOM 1015 CD ARG A 63 -0.246 -1.463 -11.243 1.00 30.31 C ATOM 1016 NE ARG A 63 -0.784 -0.716 -12.380 1.00 15.02 N ATOM 1017 CZ ARG A 63 -0.454 0.516 -12.668 1.00 52.24 C ATOM 1018 NH1 ARG A 63 0.298 1.207 -11.867 1.00 75.04 N ATOM 1019 NH2 ARG A 63 -0.896 1.064 -13.754 1.00 64.10 N ATOM 0 H ARG A 63 -3.949 -1.298 -8.067 1.00 11.45 H new ATOM 0 HA ARG A 63 -3.888 -3.412 -9.870 1.00 41.31 H new ATOM 0 HB2 ARG A 63 -2.982 -1.304 -10.529 1.00 33.42 H new ATOM 0 HB3 ARG A 63 -1.914 -1.225 -9.141 1.00 33.42 H new ATOM 0 HG2 ARG A 63 -0.668 -3.237 -10.105 1.00 75.44 H new ATOM 0 HG3 ARG A 63 -1.643 -3.067 -11.551 1.00 75.44 H new ATOM 0 HD2 ARG A 63 0.000 -0.767 -10.441 1.00 30.31 H new ATOM 0 HD3 ARG A 63 0.684 -1.948 -11.541 1.00 30.31 H new ATOM 0 HE ARG A 63 -1.458 -1.185 -12.985 1.00 15.02 H new ATOM 0 HH11 ARG A 63 0.639 0.790 -11.001 1.00 75.04 H new ATOM 0 HH12 ARG A 63 0.548 2.167 -12.104 1.00 75.04 H new ATOM 0 HH21 ARG A 63 -1.500 0.535 -14.383 1.00 64.10 H new ATOM 0 HH22 ARG A 63 -0.640 2.025 -13.981 1.00 64.10 H new ATOM 1033 N LEU A 64 -1.520 -3.634 -7.540 1.00 2.41 N ATOM 1034 CA LEU A 64 -0.579 -4.544 -6.876 1.00 22.24 C ATOM 1035 C LEU A 64 -1.274 -5.827 -6.395 1.00 43.43 C ATOM 1036 O LEU A 64 -0.775 -6.935 -6.606 1.00 65.25 O ATOM 1037 CB LEU A 64 0.089 -3.828 -5.694 1.00 71.42 C ATOM 1038 CG LEU A 64 0.968 -2.624 -6.073 1.00 34.10 C ATOM 1039 CD1 LEU A 64 1.431 -1.870 -4.829 1.00 43.22 C ATOM 1040 CD2 LEU A 64 2.168 -3.078 -6.899 1.00 52.01 C ATOM 0 H LEU A 64 -1.513 -2.685 -7.167 1.00 2.41 H new ATOM 0 HA LEU A 64 0.180 -4.834 -7.603 1.00 22.24 H new ATOM 0 HB2 LEU A 64 -0.688 -3.490 -5.008 1.00 71.42 H new ATOM 0 HB3 LEU A 64 0.701 -4.549 -5.152 1.00 71.42 H new ATOM 0 HG LEU A 64 0.367 -1.944 -6.676 1.00 34.10 H new ATOM 0 HD11 LEU A 64 2.051 -1.024 -5.126 1.00 43.22 H new ATOM 0 HD12 LEU A 64 0.563 -1.508 -4.279 1.00 43.22 H new ATOM 0 HD13 LEU A 64 2.011 -2.539 -4.193 1.00 43.22 H new ATOM 0 HD21 LEU A 64 2.779 -2.214 -7.158 1.00 52.01 H new ATOM 0 HD22 LEU A 64 2.764 -3.782 -6.318 1.00 52.01 H new ATOM 0 HD23 LEU A 64 1.820 -3.563 -7.811 1.00 52.01 H new ATOM 1052 N ALA A 65 -2.430 -5.670 -5.760 1.00 12.13 N ATOM 1053 CA ALA A 65 -3.210 -6.817 -5.290 1.00 4.11 C ATOM 1054 C ALA A 65 -3.645 -7.727 -6.450 1.00 72.50 C ATOM 1055 O ALA A 65 -3.547 -8.950 -6.363 1.00 64.11 O ATOM 1056 CB ALA A 65 -4.424 -6.342 -4.503 1.00 14.42 C ATOM 0 H ALA A 65 -2.850 -4.763 -5.557 1.00 12.13 H new ATOM 0 HA ALA A 65 -2.568 -7.407 -4.635 1.00 4.11 H new ATOM 0 HB1 ALA A 65 -4.995 -7.204 -4.159 1.00 14.42 H new ATOM 0 HB2 ALA A 65 -4.095 -5.759 -3.643 1.00 14.42 H new ATOM 0 HB3 ALA A 65 -5.052 -5.722 -5.142 1.00 14.42 H new ATOM 1062 N LYS A 66 -4.110 -7.128 -7.544 1.00 43.42 N ATOM 1063 CA LYS A 66 -4.606 -7.898 -8.693 1.00 13.01 C ATOM 1064 C LYS A 66 -3.465 -8.579 -9.473 1.00 25.13 C ATOM 1065 O LYS A 66 -3.658 -9.646 -10.063 1.00 65.15 O ATOM 1066 CB LYS A 66 -5.426 -6.995 -9.627 1.00 11.24 C ATOM 1067 CG LYS A 66 -6.650 -6.371 -8.958 1.00 5.20 C ATOM 1068 CD LYS A 66 -7.606 -7.430 -8.414 1.00 12.51 C ATOM 1069 CE LYS A 66 -8.763 -6.804 -7.640 1.00 13.24 C ATOM 1070 NZ LYS A 66 -9.595 -5.916 -8.493 1.00 53.32 N ATOM 0 H LYS A 66 -4.156 -6.116 -7.663 1.00 43.42 H new ATOM 0 HA LYS A 66 -5.248 -8.687 -8.301 1.00 13.01 H new ATOM 0 HB2 LYS A 66 -4.784 -6.199 -10.005 1.00 11.24 H new ATOM 0 HB3 LYS A 66 -5.751 -7.578 -10.489 1.00 11.24 H new ATOM 0 HG2 LYS A 66 -6.327 -5.722 -8.144 1.00 5.20 H new ATOM 0 HG3 LYS A 66 -7.176 -5.743 -9.677 1.00 5.20 H new ATOM 0 HD2 LYS A 66 -7.999 -8.023 -9.240 1.00 12.51 H new ATOM 0 HD3 LYS A 66 -7.060 -8.113 -7.763 1.00 12.51 H new ATOM 0 HE2 LYS A 66 -9.388 -7.594 -7.223 1.00 13.24 H new ATOM 0 HE3 LYS A 66 -8.369 -6.232 -6.800 1.00 13.24 H new ATOM 0 HZ1 LYS A 66 -10.424 -5.594 -7.954 1.00 53.32 H new ATOM 0 HZ2 LYS A 66 -9.033 -5.092 -8.788 1.00 53.32 H new ATOM 0 HZ3 LYS A 66 -9.911 -6.439 -9.335 1.00 53.32 H new ATOM 1084 N GLU A 67 -2.278 -7.972 -9.476 1.00 44.22 N ATOM 1085 CA GLU A 67 -1.116 -8.550 -10.171 1.00 42.41 C ATOM 1086 C GLU A 67 -0.726 -9.916 -9.582 1.00 15.00 C ATOM 1087 O GLU A 67 -0.351 -10.834 -10.312 1.00 64.31 O ATOM 1088 CB GLU A 67 0.087 -7.595 -10.116 1.00 34.12 C ATOM 1089 CG GLU A 67 -0.161 -6.241 -10.781 1.00 4.32 C ATOM 1090 CD GLU A 67 -0.640 -6.363 -12.222 1.00 70.45 C ATOM 1091 OE1 GLU A 67 0.211 -6.484 -13.131 1.00 73.43 O ATOM 1092 OE2 GLU A 67 -1.869 -6.345 -12.455 1.00 45.41 O ATOM 0 H GLU A 67 -2.091 -7.085 -9.009 1.00 44.22 H new ATOM 0 HA GLU A 67 -1.405 -8.697 -11.212 1.00 42.41 H new ATOM 0 HB2 GLU A 67 0.360 -7.431 -9.074 1.00 34.12 H new ATOM 0 HB3 GLU A 67 0.940 -8.074 -10.598 1.00 34.12 H new ATOM 0 HG2 GLU A 67 -0.903 -5.689 -10.203 1.00 4.32 H new ATOM 0 HG3 GLU A 67 0.759 -5.658 -10.758 1.00 4.32 H new ATOM 1099 N PHE A 68 -0.818 -10.043 -8.260 1.00 35.24 N ATOM 1100 CA PHE A 68 -0.505 -11.306 -7.573 1.00 61.15 C ATOM 1101 C PHE A 68 -1.779 -12.087 -7.200 1.00 53.40 C ATOM 1102 O PHE A 68 -1.703 -13.224 -6.728 1.00 33.22 O ATOM 1103 CB PHE A 68 0.314 -11.024 -6.306 1.00 21.42 C ATOM 1104 CG PHE A 68 1.608 -10.301 -6.574 1.00 30.32 C ATOM 1105 CD1 PHE A 68 2.752 -11.004 -6.922 1.00 1.34 C ATOM 1106 CD2 PHE A 68 1.678 -8.917 -6.491 1.00 31.22 C ATOM 1107 CE1 PHE A 68 3.935 -10.342 -7.181 1.00 42.25 C ATOM 1108 CE2 PHE A 68 2.861 -8.252 -6.745 1.00 60.44 C ATOM 1109 CZ PHE A 68 3.990 -8.966 -7.092 1.00 62.53 C ATOM 0 H PHE A 68 -1.107 -9.289 -7.637 1.00 35.24 H new ATOM 0 HA PHE A 68 0.076 -11.920 -8.262 1.00 61.15 H new ATOM 0 HB2 PHE A 68 -0.289 -10.431 -5.618 1.00 21.42 H new ATOM 0 HB3 PHE A 68 0.531 -11.968 -5.806 1.00 21.42 H new ATOM 0 HD1 PHE A 68 2.717 -12.081 -6.991 1.00 1.34 H new ATOM 0 HD2 PHE A 68 0.796 -8.353 -6.224 1.00 31.22 H new ATOM 0 HE1 PHE A 68 4.818 -10.901 -7.453 1.00 42.25 H new ATOM 0 HE2 PHE A 68 2.903 -7.175 -6.672 1.00 60.44 H new ATOM 0 HZ PHE A 68 4.916 -8.448 -7.294 1.00 62.53 H new ATOM 1119 N ASN A 69 -2.940 -11.472 -7.431 1.00 43.14 N ATOM 1120 CA ASN A 69 -4.231 -12.030 -7.003 1.00 61.13 C ATOM 1121 C ASN A 69 -4.234 -12.282 -5.484 1.00 61.30 C ATOM 1122 O ASN A 69 -4.391 -13.412 -5.016 1.00 3.32 O ATOM 1123 CB ASN A 69 -4.563 -13.313 -7.783 1.00 75.40 C ATOM 1124 CG ASN A 69 -5.944 -13.869 -7.461 1.00 14.42 C ATOM 1125 OD1 ASN A 69 -6.174 -15.070 -7.523 1.00 52.02 O ATOM 1126 ND2 ASN A 69 -6.881 -13.004 -7.116 1.00 15.13 N ATOM 0 H ASN A 69 -3.016 -10.578 -7.917 1.00 43.14 H new ATOM 0 HA ASN A 69 -5.010 -11.301 -7.225 1.00 61.13 H new ATOM 0 HB2 ASN A 69 -4.501 -13.107 -8.852 1.00 75.40 H new ATOM 0 HB3 ASN A 69 -3.812 -14.071 -7.560 1.00 75.40 H new ATOM 0 HD21 ASN A 69 -7.821 -13.332 -6.894 1.00 15.13 H new ATOM 0 HD22 ASN A 69 -6.664 -12.008 -7.072 1.00 15.13 H new ATOM 1133 N ILE A 70 -4.036 -11.208 -4.725 1.00 70.23 N ATOM 1134 CA ILE A 70 -3.980 -11.275 -3.261 1.00 41.42 C ATOM 1135 C ILE A 70 -4.986 -10.305 -2.619 1.00 34.52 C ATOM 1136 O ILE A 70 -5.758 -9.642 -3.317 1.00 65.44 O ATOM 1137 CB ILE A 70 -2.553 -10.953 -2.742 1.00 53.23 C ATOM 1138 CG1 ILE A 70 -2.111 -9.553 -3.203 1.00 71.41 C ATOM 1139 CG2 ILE A 70 -1.557 -12.017 -3.204 1.00 60.10 C ATOM 1140 CD1 ILE A 70 -0.770 -9.113 -2.648 1.00 2.13 C ATOM 0 H ILE A 70 -3.910 -10.269 -5.102 1.00 70.23 H new ATOM 0 HA ILE A 70 -4.242 -12.294 -2.977 1.00 41.42 H new ATOM 0 HB ILE A 70 -2.576 -10.960 -1.652 1.00 53.23 H new ATOM 0 HG12 ILE A 70 -2.064 -9.539 -4.292 1.00 71.41 H new ATOM 0 HG13 ILE A 70 -2.870 -8.828 -2.907 1.00 71.41 H new ATOM 0 HG21 ILE A 70 -0.563 -11.772 -2.829 1.00 60.10 H new ATOM 0 HG22 ILE A 70 -1.860 -12.991 -2.819 1.00 60.10 H new ATOM 0 HG23 ILE A 70 -1.537 -12.048 -4.293 1.00 60.10 H new ATOM 0 HD11 ILE A 70 -0.531 -8.117 -3.020 1.00 2.13 H new ATOM 0 HD12 ILE A 70 -0.816 -9.092 -1.559 1.00 2.13 H new ATOM 0 HD13 ILE A 70 0.003 -9.813 -2.965 1.00 2.13 H new ATOM 1152 N THR A 71 -4.972 -10.225 -1.290 1.00 22.30 N ATOM 1153 CA THR A 71 -5.918 -9.376 -0.550 1.00 44.11 C ATOM 1154 C THR A 71 -5.284 -8.035 -0.148 1.00 11.33 C ATOM 1155 O THR A 71 -4.113 -7.983 0.229 1.00 30.21 O ATOM 1156 CB THR A 71 -6.416 -10.086 0.733 1.00 12.32 C ATOM 1157 OG1 THR A 71 -6.932 -11.389 0.411 1.00 11.03 O ATOM 1158 CG2 THR A 71 -7.501 -9.271 1.430 1.00 33.25 C ATOM 0 H THR A 71 -4.317 -10.736 -0.698 1.00 22.30 H new ATOM 0 HA THR A 71 -6.757 -9.190 -1.221 1.00 44.11 H new ATOM 0 HB THR A 71 -5.567 -10.184 1.409 1.00 12.32 H new ATOM 0 HG1 THR A 71 -7.242 -11.829 1.230 1.00 11.03 H new ATOM 0 HG21 THR A 71 -7.830 -9.795 2.327 1.00 33.25 H new ATOM 0 HG22 THR A 71 -7.102 -8.295 1.706 1.00 33.25 H new ATOM 0 HG23 THR A 71 -8.347 -9.140 0.756 1.00 33.25 H new ATOM 1166 N VAL A 72 -6.065 -6.955 -0.223 1.00 14.54 N ATOM 1167 CA VAL A 72 -5.594 -5.631 0.208 1.00 11.21 C ATOM 1168 C VAL A 72 -6.709 -4.827 0.912 1.00 32.31 C ATOM 1169 O VAL A 72 -7.830 -4.705 0.410 1.00 71.41 O ATOM 1170 CB VAL A 72 -5.024 -4.809 -0.984 1.00 74.41 C ATOM 1171 CG1 VAL A 72 -6.097 -4.530 -2.034 1.00 11.24 C ATOM 1172 CG2 VAL A 72 -4.387 -3.507 -0.495 1.00 42.11 C ATOM 0 H VAL A 72 -7.022 -6.968 -0.576 1.00 14.54 H new ATOM 0 HA VAL A 72 -4.791 -5.807 0.924 1.00 11.21 H new ATOM 0 HB VAL A 72 -4.248 -5.410 -1.457 1.00 74.41 H new ATOM 0 HG11 VAL A 72 -5.664 -3.954 -2.852 1.00 11.24 H new ATOM 0 HG12 VAL A 72 -6.483 -5.474 -2.419 1.00 11.24 H new ATOM 0 HG13 VAL A 72 -6.910 -3.963 -1.581 1.00 11.24 H new ATOM 0 HG21 VAL A 72 -3.996 -2.951 -1.347 1.00 42.11 H new ATOM 0 HG22 VAL A 72 -5.137 -2.905 0.018 1.00 42.11 H new ATOM 0 HG23 VAL A 72 -3.573 -3.736 0.193 1.00 42.11 H new ATOM 1182 N THR A 73 -6.395 -4.301 2.097 1.00 34.02 N ATOM 1183 CA THR A 73 -7.321 -3.437 2.851 1.00 25.41 C ATOM 1184 C THR A 73 -6.611 -2.152 3.288 1.00 0.01 C ATOM 1185 O THR A 73 -5.583 -2.201 3.960 1.00 25.12 O ATOM 1186 CB THR A 73 -7.881 -4.144 4.114 1.00 43.23 C ATOM 1187 OG1 THR A 73 -6.815 -4.466 5.023 1.00 20.20 O ATOM 1188 CG2 THR A 73 -8.632 -5.418 3.745 1.00 0.13 C ATOM 0 H THR A 73 -5.501 -4.457 2.563 1.00 34.02 H new ATOM 0 HA THR A 73 -8.151 -3.207 2.184 1.00 25.41 H new ATOM 0 HB THR A 73 -8.575 -3.456 4.596 1.00 43.23 H new ATOM 0 HG1 THR A 73 -7.180 -4.938 5.801 1.00 20.20 H new ATOM 0 HG21 THR A 73 -9.013 -5.891 4.650 1.00 0.13 H new ATOM 0 HG22 THR A 73 -9.465 -5.172 3.087 1.00 0.13 H new ATOM 0 HG23 THR A 73 -7.956 -6.104 3.234 1.00 0.13 H new ATOM 1196 N TYR A 74 -7.147 -0.997 2.908 1.00 72.45 N ATOM 1197 CA TYR A 74 -6.487 0.280 3.206 1.00 10.12 C ATOM 1198 C TYR A 74 -7.405 1.264 3.949 1.00 15.03 C ATOM 1199 O TYR A 74 -8.581 1.422 3.619 1.00 11.44 O ATOM 1200 CB TYR A 74 -5.927 0.914 1.918 1.00 32.10 C ATOM 1201 CG TYR A 74 -6.850 0.840 0.712 1.00 21.54 C ATOM 1202 CD1 TYR A 74 -6.885 -0.301 -0.085 1.00 65.25 C ATOM 1203 CD2 TYR A 74 -7.671 1.907 0.358 1.00 5.33 C ATOM 1204 CE1 TYR A 74 -7.706 -0.378 -1.191 1.00 60.11 C ATOM 1205 CE2 TYR A 74 -8.495 1.837 -0.750 1.00 34.15 C ATOM 1206 CZ TYR A 74 -8.508 0.693 -1.521 1.00 53.01 C ATOM 1207 OH TYR A 74 -9.326 0.620 -2.627 1.00 74.44 O ATOM 0 H TYR A 74 -8.027 -0.913 2.398 1.00 72.45 H new ATOM 0 HA TYR A 74 -5.659 0.060 3.879 1.00 10.12 H new ATOM 0 HB2 TYR A 74 -5.696 1.961 2.117 1.00 32.10 H new ATOM 0 HB3 TYR A 74 -4.987 0.422 1.668 1.00 32.10 H new ATOM 0 HD1 TYR A 74 -6.257 -1.143 0.168 1.00 65.25 H new ATOM 0 HD2 TYR A 74 -7.664 2.804 0.959 1.00 5.33 H new ATOM 0 HE1 TYR A 74 -7.720 -1.273 -1.795 1.00 60.11 H new ATOM 0 HE2 TYR A 74 -9.126 2.674 -1.011 1.00 34.15 H new ATOM 0 HH TYR A 74 -9.826 1.457 -2.720 1.00 74.44 H new ATOM 1217 N THR A 75 -6.843 1.918 4.964 1.00 62.32 N ATOM 1218 CA THR A 75 -7.566 2.907 5.774 1.00 42.33 C ATOM 1219 C THR A 75 -7.157 4.338 5.388 1.00 32.21 C ATOM 1220 O THR A 75 -5.977 4.690 5.436 1.00 61.02 O ATOM 1221 CB THR A 75 -7.288 2.696 7.285 1.00 34.04 C ATOM 1222 OG1 THR A 75 -7.638 1.355 7.669 1.00 31.14 O ATOM 1223 CG2 THR A 75 -8.073 3.692 8.138 1.00 42.44 C ATOM 0 H THR A 75 -5.874 1.780 5.251 1.00 62.32 H new ATOM 0 HA THR A 75 -8.630 2.769 5.579 1.00 42.33 H new ATOM 0 HB THR A 75 -6.224 2.860 7.455 1.00 34.04 H new ATOM 0 HG1 THR A 75 -8.574 1.182 7.436 1.00 31.14 H new ATOM 0 HG21 THR A 75 -7.857 3.518 9.192 1.00 42.44 H new ATOM 0 HG22 THR A 75 -7.783 4.708 7.871 1.00 42.44 H new ATOM 0 HG23 THR A 75 -9.140 3.561 7.960 1.00 42.44 H new ATOM 1231 N ILE A 76 -8.135 5.157 5.005 1.00 20.55 N ATOM 1232 CA ILE A 76 -7.869 6.538 4.578 1.00 42.20 C ATOM 1233 C ILE A 76 -8.023 7.533 5.743 1.00 21.53 C ATOM 1234 O ILE A 76 -9.123 7.722 6.268 1.00 65.52 O ATOM 1235 CB ILE A 76 -8.818 6.966 3.425 1.00 71.34 C ATOM 1236 CG1 ILE A 76 -8.768 5.949 2.269 1.00 62.11 C ATOM 1237 CG2 ILE A 76 -8.461 8.365 2.923 1.00 1.44 C ATOM 1238 CD1 ILE A 76 -7.393 5.771 1.661 1.00 75.23 C ATOM 0 H ILE A 76 -9.120 4.892 4.980 1.00 20.55 H new ATOM 0 HA ILE A 76 -6.838 6.559 4.225 1.00 42.20 H new ATOM 0 HB ILE A 76 -9.835 6.990 3.816 1.00 71.34 H new ATOM 0 HG12 ILE A 76 -9.120 4.984 2.633 1.00 62.11 H new ATOM 0 HG13 ILE A 76 -9.460 6.267 1.489 1.00 62.11 H new ATOM 0 HG21 ILE A 76 -9.138 8.646 2.116 1.00 1.44 H new ATOM 0 HG22 ILE A 76 -8.555 9.080 3.740 1.00 1.44 H new ATOM 0 HG23 ILE A 76 -7.435 8.369 2.554 1.00 1.44 H new ATOM 0 HD11 ILE A 76 -7.444 5.039 0.855 1.00 75.23 H new ATOM 0 HD12 ILE A 76 -7.044 6.724 1.264 1.00 75.23 H new ATOM 0 HD13 ILE A 76 -6.700 5.421 2.426 1.00 75.23 H new ATOM 1250 N ARG A 77 -6.920 8.164 6.148 1.00 62.13 N ATOM 1251 CA ARG A 77 -6.956 9.175 7.211 1.00 74.10 C ATOM 1252 C ARG A 77 -6.835 10.597 6.635 1.00 44.22 C ATOM 1253 O ARG A 77 -5.781 10.987 6.121 1.00 73.40 O ATOM 1254 CB ARG A 77 -5.825 8.945 8.223 1.00 22.33 C ATOM 1255 CG ARG A 77 -5.746 7.523 8.770 1.00 71.22 C ATOM 1256 CD ARG A 77 -4.684 7.409 9.860 1.00 41.42 C ATOM 1257 NE ARG A 77 -4.427 6.026 10.245 1.00 10.24 N ATOM 1258 CZ ARG A 77 -3.938 5.659 11.396 1.00 53.51 C ATOM 1259 NH1 ARG A 77 -3.669 6.534 12.311 1.00 50.03 N ATOM 1260 NH2 ARG A 77 -3.706 4.407 11.617 1.00 2.11 N ATOM 0 H ARG A 77 -5.992 7.995 5.759 1.00 62.13 H new ATOM 0 HA ARG A 77 -7.918 9.077 7.714 1.00 74.10 H new ATOM 0 HB2 ARG A 77 -4.875 9.192 7.749 1.00 22.33 H new ATOM 0 HB3 ARG A 77 -5.955 9.635 9.057 1.00 22.33 H new ATOM 0 HG2 ARG A 77 -6.716 7.231 9.172 1.00 71.22 H new ATOM 0 HG3 ARG A 77 -5.515 6.831 7.960 1.00 71.22 H new ATOM 0 HD2 ARG A 77 -3.757 7.864 9.509 1.00 41.42 H new ATOM 0 HD3 ARG A 77 -5.004 7.973 10.736 1.00 41.42 H new ATOM 0 HE ARG A 77 -4.645 5.296 9.567 1.00 10.24 H new ATOM 0 HH11 ARG A 77 -3.839 7.524 12.136 1.00 50.03 H new ATOM 0 HH12 ARG A 77 -3.287 6.233 13.208 1.00 50.03 H new ATOM 0 HH21 ARG A 77 -3.905 3.716 10.894 1.00 2.11 H new ATOM 0 HH22 ARG A 77 -3.323 4.110 12.515 1.00 2.11 H new ATOM 1274 N LEU A 78 -7.917 11.365 6.716 1.00 70.41 N ATOM 1275 CA LEU A 78 -7.898 12.779 6.324 1.00 71.12 C ATOM 1276 C LEU A 78 -7.582 13.659 7.542 1.00 61.15 C ATOM 1277 O LEU A 78 -8.112 13.434 8.637 1.00 74.52 O ATOM 1278 CB LEU A 78 -9.234 13.208 5.676 1.00 13.54 C ATOM 1279 CG LEU A 78 -10.488 13.176 6.581 1.00 31.40 C ATOM 1280 CD1 LEU A 78 -11.638 13.952 5.937 1.00 42.13 C ATOM 1281 CD2 LEU A 78 -10.925 11.739 6.874 1.00 14.13 C ATOM 0 H LEU A 78 -8.823 11.035 7.050 1.00 70.41 H new ATOM 0 HA LEU A 78 -7.115 12.911 5.577 1.00 71.12 H new ATOM 0 HB2 LEU A 78 -9.116 14.222 5.294 1.00 13.54 H new ATOM 0 HB3 LEU A 78 -9.418 12.563 4.817 1.00 13.54 H new ATOM 0 HG LEU A 78 -10.225 13.652 7.525 1.00 31.40 H new ATOM 0 HD11 LEU A 78 -12.511 13.917 6.589 1.00 42.13 H new ATOM 0 HD12 LEU A 78 -11.338 14.989 5.787 1.00 42.13 H new ATOM 0 HD13 LEU A 78 -11.886 13.503 4.975 1.00 42.13 H new ATOM 0 HD21 LEU A 78 -11.809 11.750 7.512 1.00 14.13 H new ATOM 0 HD22 LEU A 78 -11.160 11.232 5.938 1.00 14.13 H new ATOM 0 HD23 LEU A 78 -10.118 11.210 7.381 1.00 14.13 H new ATOM 1293 N GLU A 79 -6.712 14.652 7.356 1.00 14.11 N ATOM 1294 CA GLU A 79 -6.269 15.505 8.462 1.00 54.14 C ATOM 1295 C GLU A 79 -7.441 16.331 9.022 1.00 12.10 C ATOM 1296 O GLU A 79 -8.059 17.125 8.308 1.00 20.42 O ATOM 1297 CB GLU A 79 -5.127 16.423 8.002 1.00 62.23 C ATOM 1298 CG GLU A 79 -4.392 17.114 9.148 1.00 3.44 C ATOM 1299 CD GLU A 79 -3.206 17.941 8.674 1.00 34.23 C ATOM 1300 OE1 GLU A 79 -2.157 17.352 8.336 1.00 64.52 O ATOM 1301 OE2 GLU A 79 -3.315 19.184 8.645 1.00 53.25 O ATOM 0 H GLU A 79 -6.300 14.886 6.453 1.00 14.11 H new ATOM 0 HA GLU A 79 -5.898 14.865 9.262 1.00 54.14 H new ATOM 0 HB2 GLU A 79 -4.412 15.836 7.425 1.00 62.23 H new ATOM 0 HB3 GLU A 79 -5.531 17.182 7.332 1.00 62.23 H new ATOM 0 HG2 GLU A 79 -5.088 17.759 9.683 1.00 3.44 H new ATOM 0 HG3 GLU A 79 -4.045 16.362 9.857 1.00 3.44 H new ATOM 1308 N HIS A 80 -7.729 16.140 10.305 1.00 1.44 N ATOM 1309 CA HIS A 80 -8.921 16.719 10.934 1.00 43.14 C ATOM 1310 C HIS A 80 -8.818 18.243 11.109 1.00 35.22 C ATOM 1311 O HIS A 80 -7.913 18.748 11.774 1.00 11.04 O ATOM 1312 CB HIS A 80 -9.168 16.051 12.288 1.00 34.51 C ATOM 1313 CG HIS A 80 -9.434 14.580 12.183 1.00 4.32 C ATOM 1314 ND1 HIS A 80 -8.465 13.622 12.389 1.00 43.42 N ATOM 1315 CD2 HIS A 80 -10.572 13.902 11.892 1.00 11.24 C ATOM 1316 CE1 HIS A 80 -8.992 12.426 12.234 1.00 54.42 C ATOM 1317 NE2 HIS A 80 -10.267 12.566 11.932 1.00 2.35 N ATOM 0 H HIS A 80 -7.152 15.586 10.937 1.00 1.44 H new ATOM 0 HA HIS A 80 -9.762 16.532 10.266 1.00 43.14 H new ATOM 0 HB2 HIS A 80 -8.301 16.212 12.928 1.00 34.51 H new ATOM 0 HB3 HIS A 80 -10.016 16.533 12.774 1.00 34.51 H new ATOM 0 HD2 HIS A 80 -11.537 14.333 11.670 1.00 11.24 H new ATOM 0 HE1 HIS A 80 -8.468 11.488 12.337 1.00 54.42 H new ATOM 0 HE2 HIS A 80 -10.921 11.804 11.756 1.00 2.35 H new ATOM 1326 N HIS A 81 -9.755 18.964 10.495 1.00 23.30 N ATOM 1327 CA HIS A 81 -9.878 20.416 10.664 1.00 65.43 C ATOM 1328 C HIS A 81 -11.352 20.796 10.856 1.00 3.01 C ATOM 1329 O HIS A 81 -12.202 20.427 10.048 1.00 4.33 O ATOM 1330 CB HIS A 81 -9.289 21.153 9.456 1.00 13.42 C ATOM 1331 CG HIS A 81 -7.823 20.912 9.276 1.00 13.30 C ATOM 1332 ND1 HIS A 81 -6.875 21.367 10.167 1.00 35.03 N ATOM 1333 CD2 HIS A 81 -7.139 20.241 8.318 1.00 63.02 C ATOM 1334 CE1 HIS A 81 -5.681 20.991 9.769 1.00 12.11 C ATOM 1335 NE2 HIS A 81 -5.811 20.306 8.653 1.00 20.52 N ATOM 0 H HIS A 81 -10.450 18.561 9.867 1.00 23.30 H new ATOM 0 HA HIS A 81 -9.317 20.713 11.550 1.00 65.43 H new ATOM 0 HB2 HIS A 81 -9.816 20.839 8.555 1.00 13.42 H new ATOM 0 HB3 HIS A 81 -9.463 22.223 9.571 1.00 13.42 H new ATOM 0 HD2 HIS A 81 -7.560 19.748 7.454 1.00 63.02 H new ATOM 0 HE1 HIS A 81 -4.750 21.207 10.272 1.00 12.11 H new ATOM 0 HE2 HIS A 81 -5.046 19.890 8.122 1.00 20.52 H new ATOM 1344 N HIS A 82 -11.648 21.534 11.920 1.00 3.41 N ATOM 1345 CA HIS A 82 -13.035 21.803 12.306 1.00 2.25 C ATOM 1346 C HIS A 82 -13.748 22.753 11.332 1.00 73.22 C ATOM 1347 O HIS A 82 -13.634 23.974 11.440 1.00 72.30 O ATOM 1348 CB HIS A 82 -13.090 22.376 13.728 1.00 5.52 C ATOM 1349 CG HIS A 82 -14.487 22.599 14.226 1.00 50.52 C ATOM 1350 ND1 HIS A 82 -15.243 21.609 14.810 1.00 65.02 N ATOM 1351 CD2 HIS A 82 -15.275 23.701 14.206 1.00 25.52 C ATOM 1352 CE1 HIS A 82 -16.429 22.084 15.123 1.00 4.11 C ATOM 1353 NE2 HIS A 82 -16.476 23.351 14.768 1.00 72.02 N ATOM 0 H HIS A 82 -10.950 21.957 12.532 1.00 3.41 H new ATOM 0 HA HIS A 82 -13.562 20.850 12.271 1.00 2.25 H new ATOM 0 HB2 HIS A 82 -12.575 21.696 14.406 1.00 5.52 H new ATOM 0 HB3 HIS A 82 -12.548 23.321 13.752 1.00 5.52 H new ATOM 0 HD2 HIS A 82 -15.007 24.673 13.820 1.00 25.52 H new ATOM 0 HE1 HIS A 82 -17.228 21.529 15.592 1.00 4.11 H new ATOM 0 HE2 HIS A 82 -17.276 23.972 14.891 1.00 72.02 H new ATOM 1362 N HIS A 83 -14.483 22.186 10.383 1.00 34.20 N ATOM 1363 CA HIS A 83 -15.349 22.979 9.507 1.00 20.43 C ATOM 1364 C HIS A 83 -16.570 23.505 10.280 1.00 2.54 C ATOM 1365 O HIS A 83 -16.775 23.154 11.445 1.00 30.41 O ATOM 1366 CB HIS A 83 -15.808 22.145 8.303 1.00 61.32 C ATOM 1367 CG HIS A 83 -14.700 21.772 7.365 1.00 2.23 C ATOM 1368 ND1 HIS A 83 -14.546 22.341 6.120 1.00 62.41 N ATOM 1369 CD2 HIS A 83 -13.690 20.876 7.489 1.00 62.42 C ATOM 1370 CE1 HIS A 83 -13.498 21.814 5.521 1.00 23.11 C ATOM 1371 NE2 HIS A 83 -12.961 20.925 6.330 1.00 45.14 N ATOM 0 H HIS A 83 -14.500 21.183 10.197 1.00 34.20 H new ATOM 0 HA HIS A 83 -14.773 23.831 9.144 1.00 20.43 H new ATOM 0 HB2 HIS A 83 -16.286 21.235 8.665 1.00 61.32 H new ATOM 0 HB3 HIS A 83 -16.564 22.705 7.752 1.00 61.32 H new ATOM 0 HD2 HIS A 83 -13.496 20.242 8.342 1.00 62.42 H new ATOM 0 HE1 HIS A 83 -13.140 22.068 4.534 1.00 23.11 H new ATOM 0 HE2 HIS A 83 -12.135 20.363 6.127 1.00 45.14 H new ATOM 1380 N HIS A 84 -17.362 24.358 9.633 1.00 0.44 N ATOM 1381 CA HIS A 84 -18.568 24.927 10.246 1.00 73.44 C ATOM 1382 C HIS A 84 -18.205 25.785 11.479 1.00 72.53 C ATOM 1383 O HIS A 84 -18.993 25.915 12.415 1.00 51.31 O ATOM 1384 CB HIS A 84 -19.539 23.795 10.634 1.00 25.44 C ATOM 1385 CG HIS A 84 -20.946 24.247 10.892 1.00 22.02 C ATOM 1386 ND1 HIS A 84 -21.339 24.863 12.061 1.00 2.31 N ATOM 1387 CD2 HIS A 84 -22.063 24.156 10.131 1.00 22.33 C ATOM 1388 CE1 HIS A 84 -22.626 25.127 12.010 1.00 2.25 C ATOM 1389 NE2 HIS A 84 -23.090 24.710 10.852 1.00 21.03 N ATOM 0 H HIS A 84 -17.191 24.674 8.678 1.00 0.44 H new ATOM 0 HA HIS A 84 -19.057 25.578 9.521 1.00 73.44 H new ATOM 0 HB2 HIS A 84 -19.549 23.052 9.836 1.00 25.44 H new ATOM 0 HB3 HIS A 84 -19.160 23.298 11.527 1.00 25.44 H new ATOM 0 HD1 HIS A 84 -20.725 25.081 12.846 1.00 2.31 H new ATOM 0 HD2 HIS A 84 -22.132 23.728 9.142 1.00 22.33 H new ATOM 0 HE1 HIS A 84 -23.204 25.605 12.787 1.00 2.25 H new ATOM 1398 N HIS A 85 -17.008 26.380 11.465 1.00 71.42 N ATOM 1399 CA HIS A 85 -16.544 27.203 12.594 1.00 73.01 C ATOM 1400 C HIS A 85 -16.995 28.674 12.467 1.00 24.33 C ATOM 1401 O HIS A 85 -17.687 29.169 13.386 1.00 38.29 O ATOM 1402 CB HIS A 85 -15.014 27.106 12.768 1.00 73.32 C ATOM 1403 CG HIS A 85 -14.187 27.526 11.582 1.00 61.53 C ATOM 1404 ND1 HIS A 85 -13.617 26.629 10.703 1.00 5.11 N ATOM 1405 CD2 HIS A 85 -13.782 28.751 11.167 1.00 72.21 C ATOM 1406 CE1 HIS A 85 -12.903 27.281 9.809 1.00 43.42 C ATOM 1407 NE2 HIS A 85 -12.984 28.570 10.065 1.00 72.51 N ATOM 1408 OXT HIS A 85 -16.684 29.319 11.441 1.00 38.29 O ATOM 0 H HIS A 85 -16.345 26.310 10.693 1.00 71.42 H new ATOM 0 HA HIS A 85 -17.013 26.800 13.492 1.00 73.01 H new ATOM 0 HB2 HIS A 85 -14.726 27.719 13.622 1.00 73.32 H new ATOM 0 HB3 HIS A 85 -14.761 26.075 13.016 1.00 73.32 H new ATOM 0 HD1 HIS A 85 -13.731 25.616 10.740 1.00 5.11 H new ATOM 0 HD2 HIS A 85 -14.040 29.697 11.620 1.00 72.21 H new ATOM 0 HE1 HIS A 85 -12.344 26.833 9.001 1.00 43.42 H new TER 1417 HIS A 85