USER MOD reduce.3.24.130724 H: found=0, std=0, add=644, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 644 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 145:sc= -3.27 (180deg=-5.29!) USER MOD Single : A 1 MET N :NH3+ 135:sc= 0.0174 (180deg=0) USER MOD Single : A 3 MET CE :methyl -135:sc= -0.522 (180deg=-2.45!) USER MOD Single : A 17 LYS NZ :NH3+ 149:sc= -2.18! (180deg=-4.18!) USER MOD Single : A 20 LYS NZ :NH3+ -165:sc= -0.0152 (180deg=-0.229) USER MOD Single : A 22 MET CE :methyl -146:sc= -0.54 (180deg=-1.34) USER MOD Single : A 25 GLN : amide:sc= 0.0202 K(o=0.02,f=-8.3!) USER MOD Single : A 28 LYS NZ :NH3+ -170:sc= -0.0106 (180deg=-0.116) USER MOD Single : A 32 THR OG1 : rot 0:sc= 0.118 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 137:sc= 0.736 USER MOD Single : A 40 ASN : amide:sc=-0.00271 X(o=-0.0027,f=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 55 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0131) USER MOD Single : A 59 LYS NZ :NH3+ -166:sc= 0.974 (180deg=0.592) USER MOD Single : A 66 LYS NZ :NH3+ 169:sc= -0.25 (180deg=-0.371) USER MOD Single : A 69 ASN : amide:sc= -0.0421 X(o=-0.042,f=0) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 26:sc= 1.59 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.550 14.249 6.126 1.00 20.33 N ATOM 2 CA MET A 1 -2.562 13.192 5.861 1.00 72.30 C ATOM 3 C MET A 1 -1.894 11.812 5.747 1.00 15.35 C ATOM 4 O MET A 1 -0.790 11.692 5.210 1.00 15.12 O ATOM 5 CB MET A 1 -3.341 13.513 4.576 1.00 65.55 C ATOM 6 CG MET A 1 -4.522 12.583 4.312 1.00 62.30 C ATOM 7 SD MET A 1 -5.427 13.033 2.818 1.00 61.24 S ATOM 8 CE MET A 1 -4.121 12.923 1.598 1.00 34.04 C ATOM 0 H1 MET A 1 -1.736 15.069 5.514 1.00 20.33 H new ATOM 0 H2 MET A 1 -1.606 14.541 7.123 1.00 20.33 H new ATOM 0 H3 MET A 1 -0.599 13.877 5.927 1.00 20.33 H new ATOM 0 HA MET A 1 -3.258 13.167 6.699 1.00 72.30 H new ATOM 0 HB2 MET A 1 -3.706 14.539 4.632 1.00 65.55 H new ATOM 0 HB3 MET A 1 -2.658 13.464 3.728 1.00 65.55 H new ATOM 0 HG2 MET A 1 -4.161 11.558 4.221 1.00 62.30 H new ATOM 0 HG3 MET A 1 -5.199 12.608 5.166 1.00 62.30 H new ATOM 0 HE1 MET A 1 -4.532 12.557 0.657 1.00 34.04 H new ATOM 0 HE2 MET A 1 -3.683 13.909 1.443 1.00 34.04 H new ATOM 0 HE3 MET A 1 -3.351 12.236 1.950 1.00 34.04 H new ATOM 20 N GLU A 2 -2.568 10.775 6.251 1.00 53.43 N ATOM 21 CA GLU A 2 -2.012 9.411 6.290 1.00 71.05 C ATOM 22 C GLU A 2 -2.942 8.384 5.623 1.00 40.12 C ATOM 23 O GLU A 2 -4.157 8.573 5.563 1.00 24.42 O ATOM 24 CB GLU A 2 -1.769 9.004 7.748 1.00 32.13 C ATOM 25 CG GLU A 2 -0.733 9.864 8.461 1.00 53.52 C ATOM 26 CD GLU A 2 -0.783 9.716 9.972 1.00 21.12 C ATOM 27 OE1 GLU A 2 -0.372 8.657 10.491 1.00 73.32 O ATOM 28 OE2 GLU A 2 -1.238 10.665 10.649 1.00 14.52 O ATOM 0 H GLU A 2 -3.507 10.851 6.642 1.00 53.43 H new ATOM 0 HA GLU A 2 -1.076 9.420 5.732 1.00 71.05 H new ATOM 0 HB2 GLU A 2 -2.711 9.060 8.293 1.00 32.13 H new ATOM 0 HB3 GLU A 2 -1.446 7.963 7.776 1.00 32.13 H new ATOM 0 HG2 GLU A 2 0.262 9.594 8.107 1.00 53.52 H new ATOM 0 HG3 GLU A 2 -0.892 10.910 8.198 1.00 53.52 H new ATOM 35 N MET A 3 -2.350 7.300 5.122 1.00 61.24 N ATOM 36 CA MET A 3 -3.111 6.185 4.545 1.00 54.21 C ATOM 37 C MET A 3 -2.381 4.844 4.768 1.00 71.22 C ATOM 38 O MET A 3 -1.304 4.610 4.215 1.00 55.13 O ATOM 39 CB MET A 3 -3.362 6.429 3.044 1.00 13.02 C ATOM 40 CG MET A 3 -2.102 6.713 2.233 1.00 21.43 C ATOM 41 SD MET A 3 -2.459 7.101 0.508 1.00 73.12 S ATOM 42 CE MET A 3 -3.270 5.594 -0.028 1.00 64.45 C ATOM 0 H MET A 3 -1.339 7.167 5.103 1.00 61.24 H new ATOM 0 HA MET A 3 -4.074 6.128 5.052 1.00 54.21 H new ATOM 0 HB2 MET A 3 -3.860 5.555 2.625 1.00 13.02 H new ATOM 0 HB3 MET A 3 -4.047 7.270 2.934 1.00 13.02 H new ATOM 0 HG2 MET A 3 -1.564 7.546 2.685 1.00 21.43 H new ATOM 0 HG3 MET A 3 -1.443 5.846 2.277 1.00 21.43 H new ATOM 0 HE1 MET A 3 -2.873 5.292 -0.997 1.00 64.45 H new ATOM 0 HE2 MET A 3 -3.088 4.804 0.701 1.00 64.45 H new ATOM 0 HE3 MET A 3 -4.342 5.769 -0.114 1.00 64.45 H new ATOM 52 N ASP A 4 -2.959 3.973 5.598 1.00 12.41 N ATOM 53 CA ASP A 4 -2.363 2.659 5.875 1.00 43.20 C ATOM 54 C ASP A 4 -3.022 1.541 5.039 1.00 22.02 C ATOM 55 O ASP A 4 -4.224 1.292 5.131 1.00 22.00 O ATOM 56 CB ASP A 4 -2.425 2.344 7.381 1.00 73.13 C ATOM 57 CG ASP A 4 -3.797 2.568 7.998 1.00 55.23 C ATOM 58 OD1 ASP A 4 -4.608 1.620 8.017 1.00 74.51 O ATOM 59 OD2 ASP A 4 -4.061 3.689 8.486 1.00 40.23 O ATOM 0 H ASP A 4 -3.835 4.150 6.089 1.00 12.41 H new ATOM 0 HA ASP A 4 -1.315 2.700 5.577 1.00 43.20 H new ATOM 0 HB2 ASP A 4 -2.131 1.306 7.538 1.00 73.13 H new ATOM 0 HB3 ASP A 4 -1.696 2.964 7.903 1.00 73.13 H new ATOM 64 N ILE A 5 -2.213 0.873 4.216 1.00 13.25 N ATOM 65 CA ILE A 5 -2.695 -0.178 3.311 1.00 20.15 C ATOM 66 C ILE A 5 -2.179 -1.568 3.731 1.00 13.51 C ATOM 67 O ILE A 5 -0.979 -1.835 3.676 1.00 50.42 O ATOM 68 CB ILE A 5 -2.250 0.109 1.856 1.00 51.12 C ATOM 69 CG1 ILE A 5 -2.690 1.522 1.430 1.00 73.03 C ATOM 70 CG2 ILE A 5 -2.817 -0.944 0.907 1.00 61.35 C ATOM 71 CD1 ILE A 5 -2.240 1.915 0.039 1.00 43.45 C ATOM 0 H ILE A 5 -1.209 1.042 4.156 1.00 13.25 H new ATOM 0 HA ILE A 5 -3.783 -0.177 3.369 1.00 20.15 H new ATOM 0 HB ILE A 5 -1.162 0.060 1.808 1.00 51.12 H new ATOM 0 HG12 ILE A 5 -3.777 1.583 1.480 1.00 73.03 H new ATOM 0 HG13 ILE A 5 -2.297 2.245 2.145 1.00 73.03 H new ATOM 0 HG21 ILE A 5 -2.495 -0.727 -0.111 1.00 61.35 H new ATOM 0 HG22 ILE A 5 -2.456 -1.930 1.200 1.00 61.35 H new ATOM 0 HG23 ILE A 5 -3.906 -0.928 0.954 1.00 61.35 H new ATOM 0 HD11 ILE A 5 -2.590 2.923 -0.185 1.00 43.45 H new ATOM 0 HD12 ILE A 5 -1.152 1.889 -0.012 1.00 43.45 H new ATOM 0 HD13 ILE A 5 -2.654 1.217 -0.688 1.00 43.45 H new ATOM 83 N ARG A 6 -3.091 -2.453 4.132 1.00 60.24 N ATOM 84 CA ARG A 6 -2.725 -3.794 4.614 1.00 73.04 C ATOM 85 C ARG A 6 -2.946 -4.866 3.528 1.00 21.54 C ATOM 86 O ARG A 6 -4.081 -5.154 3.142 1.00 62.41 O ATOM 87 CB ARG A 6 -3.539 -4.117 5.885 1.00 32.14 C ATOM 88 CG ARG A 6 -3.122 -5.389 6.637 1.00 43.51 C ATOM 89 CD ARG A 6 -3.695 -6.662 6.015 1.00 21.31 C ATOM 90 NE ARG A 6 -5.154 -6.612 5.895 1.00 35.44 N ATOM 91 CZ ARG A 6 -5.957 -7.604 6.176 1.00 13.34 C ATOM 92 NH1 ARG A 6 -5.495 -8.727 6.626 1.00 12.10 N ATOM 93 NH2 ARG A 6 -7.229 -7.460 6.016 1.00 23.23 N ATOM 0 H ARG A 6 -4.094 -2.269 4.134 1.00 60.24 H new ATOM 0 HA ARG A 6 -1.662 -3.802 4.855 1.00 73.04 H new ATOM 0 HB2 ARG A 6 -3.462 -3.271 6.568 1.00 32.14 H new ATOM 0 HB3 ARG A 6 -4.589 -4.208 5.608 1.00 32.14 H new ATOM 0 HG2 ARG A 6 -2.034 -5.456 6.652 1.00 43.51 H new ATOM 0 HG3 ARG A 6 -3.452 -5.317 7.673 1.00 43.51 H new ATOM 0 HD2 ARG A 6 -3.256 -6.811 5.029 1.00 21.31 H new ATOM 0 HD3 ARG A 6 -3.412 -7.521 6.623 1.00 21.31 H new ATOM 0 HE ARG A 6 -5.573 -5.741 5.569 1.00 35.44 H new ATOM 0 HH11 ARG A 6 -4.492 -8.846 6.766 1.00 12.10 H new ATOM 0 HH12 ARG A 6 -6.134 -9.492 6.841 1.00 12.10 H new ATOM 0 HH21 ARG A 6 -7.603 -6.576 5.672 1.00 23.23 H new ATOM 0 HH22 ARG A 6 -7.861 -8.231 6.234 1.00 23.23 H new ATOM 107 N PHE A 7 -1.855 -5.449 3.038 1.00 44.14 N ATOM 108 CA PHE A 7 -1.920 -6.538 2.052 1.00 5.13 C ATOM 109 C PHE A 7 -1.951 -7.917 2.734 1.00 25.42 C ATOM 110 O PHE A 7 -1.504 -8.067 3.872 1.00 33.13 O ATOM 111 CB PHE A 7 -0.720 -6.467 1.098 1.00 62.40 C ATOM 112 CG PHE A 7 -0.674 -5.209 0.267 1.00 50.14 C ATOM 113 CD1 PHE A 7 -1.297 -5.158 -0.973 1.00 22.31 C ATOM 114 CD2 PHE A 7 -0.010 -4.079 0.725 1.00 52.44 C ATOM 115 CE1 PHE A 7 -1.256 -4.010 -1.738 1.00 23.43 C ATOM 116 CE2 PHE A 7 0.033 -2.929 -0.039 1.00 34.04 C ATOM 117 CZ PHE A 7 -0.592 -2.894 -1.270 1.00 21.55 C ATOM 0 H PHE A 7 -0.906 -5.187 3.307 1.00 44.14 H new ATOM 0 HA PHE A 7 -2.844 -6.413 1.488 1.00 5.13 H new ATOM 0 HB2 PHE A 7 0.199 -6.540 1.680 1.00 62.40 H new ATOM 0 HB3 PHE A 7 -0.746 -7.330 0.432 1.00 62.40 H new ATOM 0 HD1 PHE A 7 -1.820 -6.027 -1.343 1.00 22.31 H new ATOM 0 HD2 PHE A 7 0.478 -4.099 1.688 1.00 52.44 H new ATOM 0 HE1 PHE A 7 -1.743 -3.985 -2.702 1.00 23.43 H new ATOM 0 HE2 PHE A 7 0.555 -2.057 0.326 1.00 34.04 H new ATOM 0 HZ PHE A 7 -0.561 -1.994 -1.866 1.00 21.55 H new ATOM 127 N ARG A 8 -2.489 -8.915 2.036 1.00 31.23 N ATOM 128 CA ARG A 8 -2.527 -10.294 2.541 1.00 10.42 C ATOM 129 C ARG A 8 -2.229 -11.305 1.421 1.00 65.23 C ATOM 130 O ARG A 8 -2.934 -11.347 0.410 1.00 63.15 O ATOM 131 CB ARG A 8 -3.898 -10.607 3.163 1.00 24.50 C ATOM 132 CG ARG A 8 -4.003 -12.028 3.717 1.00 73.25 C ATOM 133 CD ARG A 8 -5.419 -12.374 4.168 1.00 12.52 C ATOM 134 NE ARG A 8 -5.507 -13.754 4.649 1.00 32.05 N ATOM 135 CZ ARG A 8 -6.609 -14.448 4.723 1.00 64.44 C ATOM 136 NH1 ARG A 8 -7.745 -13.938 4.380 1.00 4.15 N ATOM 137 NH2 ARG A 8 -6.570 -15.665 5.143 1.00 60.21 N ATOM 0 H ARG A 8 -2.908 -8.797 1.113 1.00 31.23 H new ATOM 0 HA ARG A 8 -1.756 -10.383 3.307 1.00 10.42 H new ATOM 0 HB2 ARG A 8 -4.095 -9.896 3.966 1.00 24.50 H new ATOM 0 HB3 ARG A 8 -4.672 -10.460 2.410 1.00 24.50 H new ATOM 0 HG2 ARG A 8 -3.685 -12.737 2.953 1.00 73.25 H new ATOM 0 HG3 ARG A 8 -3.319 -12.138 4.559 1.00 73.25 H new ATOM 0 HD2 ARG A 8 -5.727 -11.691 4.960 1.00 12.52 H new ATOM 0 HD3 ARG A 8 -6.111 -12.232 3.338 1.00 12.52 H new ATOM 0 HE ARG A 8 -4.643 -14.206 4.948 1.00 32.05 H new ATOM 0 HH11 ARG A 8 -7.792 -12.976 4.044 1.00 4.15 H new ATOM 0 HH12 ARG A 8 -8.596 -14.497 4.445 1.00 4.15 H new ATOM 0 HH21 ARG A 8 -5.680 -16.082 5.416 1.00 60.21 H new ATOM 0 HH22 ARG A 8 -7.429 -16.212 5.203 1.00 60.21 H new ATOM 151 N GLY A 9 -1.186 -12.116 1.606 1.00 5.20 N ATOM 152 CA GLY A 9 -0.832 -13.132 0.615 1.00 44.42 C ATOM 153 C GLY A 9 0.251 -14.094 1.098 1.00 53.33 C ATOM 154 O GLY A 9 0.943 -13.820 2.081 1.00 35.40 O ATOM 0 H GLY A 9 -0.578 -12.090 2.424 1.00 5.20 H new ATOM 0 HA2 GLY A 9 -1.724 -13.701 0.354 1.00 44.42 H new ATOM 0 HA3 GLY A 9 -0.491 -12.639 -0.295 1.00 44.42 H new ATOM 158 N ASP A 10 0.394 -15.227 0.411 1.00 34.22 N ATOM 159 CA ASP A 10 1.421 -16.221 0.757 1.00 51.14 C ATOM 160 C ASP A 10 2.759 -15.915 0.063 1.00 73.34 C ATOM 161 O ASP A 10 3.832 -16.136 0.629 1.00 31.52 O ATOM 162 CB ASP A 10 0.951 -17.625 0.360 1.00 45.45 C ATOM 163 CG ASP A 10 -0.391 -17.978 0.967 1.00 12.52 C ATOM 164 OD1 ASP A 10 -1.427 -17.627 0.368 1.00 34.33 O ATOM 165 OD2 ASP A 10 -0.417 -18.616 2.041 1.00 55.54 O ATOM 0 H ASP A 10 -0.186 -15.483 -0.388 1.00 34.22 H new ATOM 0 HA ASP A 10 1.575 -16.174 1.835 1.00 51.14 H new ATOM 0 HB2 ASP A 10 0.884 -17.689 -0.726 1.00 45.45 H new ATOM 0 HB3 ASP A 10 1.694 -18.357 0.677 1.00 45.45 H new ATOM 170 N ASP A 11 2.678 -15.408 -1.164 1.00 12.13 N ATOM 171 CA ASP A 11 3.868 -15.124 -1.972 1.00 71.15 C ATOM 172 C ASP A 11 4.776 -14.075 -1.312 1.00 71.41 C ATOM 173 O ASP A 11 4.367 -12.935 -1.088 1.00 51.21 O ATOM 174 CB ASP A 11 3.444 -14.639 -3.358 1.00 45.40 C ATOM 175 CG ASP A 11 2.470 -15.592 -4.018 1.00 31.42 C ATOM 176 OD1 ASP A 11 2.919 -16.551 -4.678 1.00 40.34 O ATOM 177 OD2 ASP A 11 1.246 -15.396 -3.871 1.00 73.44 O ATOM 0 H ASP A 11 1.797 -15.183 -1.626 1.00 12.13 H new ATOM 0 HA ASP A 11 4.439 -16.049 -2.057 1.00 71.15 H new ATOM 0 HB2 ASP A 11 2.986 -13.654 -3.273 1.00 45.40 H new ATOM 0 HB3 ASP A 11 4.326 -14.527 -3.989 1.00 45.40 H new ATOM 182 N LEU A 12 6.014 -14.460 -1.019 1.00 33.50 N ATOM 183 CA LEU A 12 6.987 -13.535 -0.432 1.00 71.22 C ATOM 184 C LEU A 12 7.268 -12.359 -1.383 1.00 15.10 C ATOM 185 O LEU A 12 7.381 -11.206 -0.955 1.00 63.21 O ATOM 186 CB LEU A 12 8.292 -14.272 -0.098 1.00 13.40 C ATOM 187 CG LEU A 12 9.378 -13.416 0.578 1.00 32.12 C ATOM 188 CD1 LEU A 12 8.887 -12.867 1.918 1.00 4.11 C ATOM 189 CD2 LEU A 12 10.662 -14.222 0.763 1.00 24.20 C ATOM 0 H LEU A 12 6.370 -15.403 -1.177 1.00 33.50 H new ATOM 0 HA LEU A 12 6.563 -13.136 0.490 1.00 71.22 H new ATOM 0 HB2 LEU A 12 8.058 -15.113 0.554 1.00 13.40 H new ATOM 0 HB3 LEU A 12 8.701 -14.687 -1.019 1.00 13.40 H new ATOM 0 HG LEU A 12 9.595 -12.570 -0.074 1.00 32.12 H new ATOM 0 HD11 LEU A 12 9.673 -12.266 2.375 1.00 4.11 H new ATOM 0 HD12 LEU A 12 8.005 -12.248 1.756 1.00 4.11 H new ATOM 0 HD13 LEU A 12 8.633 -13.695 2.579 1.00 4.11 H new ATOM 0 HD21 LEU A 12 11.417 -13.599 1.242 1.00 24.20 H new ATOM 0 HD22 LEU A 12 10.459 -15.092 1.388 1.00 24.20 H new ATOM 0 HD23 LEU A 12 11.028 -14.552 -0.209 1.00 24.20 H new ATOM 201 N GLU A 13 7.358 -12.661 -2.678 1.00 1.01 N ATOM 202 CA GLU A 13 7.574 -11.636 -3.706 1.00 23.44 C ATOM 203 C GLU A 13 6.421 -10.621 -3.749 1.00 4.35 C ATOM 204 O GLU A 13 6.617 -9.466 -4.130 1.00 12.42 O ATOM 205 CB GLU A 13 7.757 -12.274 -5.093 1.00 12.11 C ATOM 206 CG GLU A 13 9.054 -13.067 -5.258 1.00 3.44 C ATOM 207 CD GLU A 13 9.090 -14.344 -4.434 1.00 10.10 C ATOM 208 OE1 GLU A 13 8.609 -15.384 -4.922 1.00 4.41 O ATOM 209 OE2 GLU A 13 9.596 -14.316 -3.294 1.00 74.33 O ATOM 0 H GLU A 13 7.285 -13.610 -3.044 1.00 1.01 H new ATOM 0 HA GLU A 13 8.487 -11.105 -3.437 1.00 23.44 H new ATOM 0 HB2 GLU A 13 6.913 -12.936 -5.289 1.00 12.11 H new ATOM 0 HB3 GLU A 13 7.728 -11.488 -5.848 1.00 12.11 H new ATOM 0 HG2 GLU A 13 9.186 -13.319 -6.310 1.00 3.44 H new ATOM 0 HG3 GLU A 13 9.896 -12.436 -4.973 1.00 3.44 H new ATOM 216 N ALA A 14 5.224 -11.051 -3.358 1.00 75.54 N ATOM 217 CA ALA A 14 4.062 -10.159 -3.314 1.00 20.41 C ATOM 218 C ALA A 14 4.314 -8.968 -2.380 1.00 71.13 C ATOM 219 O ALA A 14 3.942 -7.834 -2.688 1.00 74.33 O ATOM 220 CB ALA A 14 2.820 -10.925 -2.871 1.00 50.41 C ATOM 0 H ALA A 14 5.031 -12.009 -3.067 1.00 75.54 H new ATOM 0 HA ALA A 14 3.897 -9.772 -4.319 1.00 20.41 H new ATOM 0 HB1 ALA A 14 1.966 -10.248 -2.843 1.00 50.41 H new ATOM 0 HB2 ALA A 14 2.620 -11.733 -3.575 1.00 50.41 H new ATOM 0 HB3 ALA A 14 2.985 -11.342 -1.877 1.00 50.41 H new ATOM 226 N PHE A 15 4.968 -9.232 -1.248 1.00 65.01 N ATOM 227 CA PHE A 15 5.271 -8.188 -0.262 1.00 31.43 C ATOM 228 C PHE A 15 6.299 -7.177 -0.803 1.00 71.44 C ATOM 229 O PHE A 15 6.054 -5.969 -0.802 1.00 75.52 O ATOM 230 CB PHE A 15 5.797 -8.818 1.037 1.00 52.14 C ATOM 231 CG PHE A 15 4.848 -9.812 1.665 1.00 2.34 C ATOM 232 CD1 PHE A 15 3.653 -9.391 2.228 1.00 24.12 C ATOM 233 CD2 PHE A 15 5.156 -11.166 1.697 1.00 0.34 C ATOM 234 CE1 PHE A 15 2.785 -10.297 2.810 1.00 44.31 C ATOM 235 CE2 PHE A 15 4.291 -12.075 2.276 1.00 21.20 C ATOM 236 CZ PHE A 15 3.105 -11.641 2.832 1.00 22.43 C ATOM 0 H PHE A 15 5.300 -10.161 -0.989 1.00 65.01 H new ATOM 0 HA PHE A 15 4.344 -7.652 -0.057 1.00 31.43 H new ATOM 0 HB2 PHE A 15 6.744 -9.316 0.830 1.00 52.14 H new ATOM 0 HB3 PHE A 15 6.004 -8.025 1.756 1.00 52.14 H new ATOM 0 HD1 PHE A 15 3.397 -8.342 2.212 1.00 24.12 H new ATOM 0 HD2 PHE A 15 6.083 -11.513 1.264 1.00 0.34 H new ATOM 0 HE1 PHE A 15 1.858 -9.954 3.247 1.00 44.31 H new ATOM 0 HE2 PHE A 15 4.543 -13.125 2.293 1.00 21.20 H new ATOM 0 HZ PHE A 15 2.428 -12.351 3.284 1.00 22.43 H new ATOM 246 N GLU A 16 7.445 -7.679 -1.267 1.00 12.45 N ATOM 247 CA GLU A 16 8.521 -6.812 -1.769 1.00 34.41 C ATOM 248 C GLU A 16 8.081 -5.995 -2.997 1.00 14.23 C ATOM 249 O GLU A 16 8.378 -4.803 -3.098 1.00 2.23 O ATOM 250 CB GLU A 16 9.772 -7.641 -2.104 1.00 2.34 C ATOM 251 CG GLU A 16 9.528 -8.769 -3.100 1.00 34.44 C ATOM 252 CD GLU A 16 10.789 -9.549 -3.438 1.00 45.15 C ATOM 253 OE1 GLU A 16 11.326 -10.240 -2.544 1.00 51.13 O ATOM 254 OE2 GLU A 16 11.243 -9.484 -4.599 1.00 12.43 O ATOM 0 H GLU A 16 7.655 -8.676 -1.307 1.00 12.45 H new ATOM 0 HA GLU A 16 8.762 -6.107 -0.974 1.00 34.41 H new ATOM 0 HB2 GLU A 16 10.537 -6.977 -2.505 1.00 2.34 H new ATOM 0 HB3 GLU A 16 10.170 -8.065 -1.182 1.00 2.34 H new ATOM 0 HG2 GLU A 16 8.784 -9.452 -2.691 1.00 34.44 H new ATOM 0 HG3 GLU A 16 9.109 -8.353 -4.016 1.00 34.44 H new ATOM 261 N LYS A 17 7.365 -6.633 -3.926 1.00 2.34 N ATOM 262 CA LYS A 17 6.867 -5.943 -5.122 1.00 60.31 C ATOM 263 C LYS A 17 5.835 -4.864 -4.759 1.00 4.11 C ATOM 264 O LYS A 17 5.865 -3.760 -5.303 1.00 74.25 O ATOM 265 CB LYS A 17 6.260 -6.950 -6.108 1.00 22.43 C ATOM 266 CG LYS A 17 7.283 -7.888 -6.748 1.00 23.31 C ATOM 267 CD LYS A 17 8.254 -7.158 -7.680 1.00 42.02 C ATOM 268 CE LYS A 17 7.619 -6.791 -9.024 1.00 32.33 C ATOM 269 NZ LYS A 17 6.508 -5.810 -8.892 1.00 52.31 N ATOM 0 H LYS A 17 7.117 -7.621 -3.875 1.00 2.34 H new ATOM 0 HA LYS A 17 7.714 -5.449 -5.598 1.00 60.31 H new ATOM 0 HB2 LYS A 17 5.511 -7.547 -5.587 1.00 22.43 H new ATOM 0 HB3 LYS A 17 5.741 -6.404 -6.895 1.00 22.43 H new ATOM 0 HG2 LYS A 17 7.848 -8.392 -5.964 1.00 23.31 H new ATOM 0 HG3 LYS A 17 6.759 -8.661 -7.310 1.00 23.31 H new ATOM 0 HD2 LYS A 17 8.609 -6.251 -7.190 1.00 42.02 H new ATOM 0 HD3 LYS A 17 9.126 -7.788 -7.855 1.00 42.02 H new ATOM 0 HE2 LYS A 17 8.385 -6.379 -9.681 1.00 32.33 H new ATOM 0 HE3 LYS A 17 7.243 -7.696 -9.501 1.00 32.33 H new ATOM 0 HZ1 LYS A 17 6.465 -5.217 -9.746 1.00 52.31 H new ATOM 0 HZ2 LYS A 17 5.608 -6.318 -8.778 1.00 52.31 H new ATOM 0 HZ3 LYS A 17 6.674 -5.208 -8.060 1.00 52.31 H new ATOM 283 N ALA A 18 4.928 -5.186 -3.836 1.00 31.14 N ATOM 284 CA ALA A 18 3.914 -4.227 -3.380 1.00 0.04 C ATOM 285 C ALA A 18 4.558 -3.006 -2.711 1.00 3.05 C ATOM 286 O ALA A 18 4.219 -1.860 -3.012 1.00 65.54 O ATOM 287 CB ALA A 18 2.932 -4.905 -2.430 1.00 72.02 C ATOM 0 H ALA A 18 4.872 -6.101 -3.389 1.00 31.14 H new ATOM 0 HA ALA A 18 3.368 -3.874 -4.255 1.00 0.04 H new ATOM 0 HB1 ALA A 18 2.186 -4.182 -2.100 1.00 72.02 H new ATOM 0 HB2 ALA A 18 2.436 -5.728 -2.945 1.00 72.02 H new ATOM 0 HB3 ALA A 18 3.471 -5.291 -1.564 1.00 72.02 H new ATOM 293 N LEU A 19 5.497 -3.265 -1.809 1.00 12.02 N ATOM 294 CA LEU A 19 6.228 -2.199 -1.120 1.00 0.21 C ATOM 295 C LEU A 19 7.033 -1.344 -2.116 1.00 21.14 C ATOM 296 O LEU A 19 7.026 -0.114 -2.043 1.00 51.53 O ATOM 297 CB LEU A 19 7.165 -2.812 -0.070 1.00 4.20 C ATOM 298 CG LEU A 19 7.904 -1.808 0.835 1.00 63.45 C ATOM 299 CD1 LEU A 19 6.913 -1.002 1.673 1.00 0.24 C ATOM 300 CD2 LEU A 19 8.908 -2.527 1.733 1.00 5.11 C ATOM 0 H LEU A 19 5.774 -4.207 -1.534 1.00 12.02 H new ATOM 0 HA LEU A 19 5.506 -1.548 -0.627 1.00 0.21 H new ATOM 0 HB2 LEU A 19 6.583 -3.482 0.562 1.00 4.20 H new ATOM 0 HB3 LEU A 19 7.907 -3.423 -0.585 1.00 4.20 H new ATOM 0 HG LEU A 19 8.452 -1.116 0.196 1.00 63.45 H new ATOM 0 HD11 LEU A 19 7.457 -0.300 2.304 1.00 0.24 H new ATOM 0 HD12 LEU A 19 6.242 -0.452 1.013 1.00 0.24 H new ATOM 0 HD13 LEU A 19 6.332 -1.678 2.300 1.00 0.24 H new ATOM 0 HD21 LEU A 19 9.419 -1.799 2.364 1.00 5.11 H new ATOM 0 HD22 LEU A 19 8.384 -3.247 2.361 1.00 5.11 H new ATOM 0 HD23 LEU A 19 9.640 -3.049 1.116 1.00 5.11 H new ATOM 312 N LYS A 20 7.707 -2.010 -3.055 1.00 60.13 N ATOM 313 CA LYS A 20 8.545 -1.334 -4.054 1.00 11.20 C ATOM 314 C LYS A 20 7.720 -0.372 -4.928 1.00 31.31 C ATOM 315 O LYS A 20 8.102 0.784 -5.125 1.00 12.22 O ATOM 316 CB LYS A 20 9.243 -2.384 -4.935 1.00 1.31 C ATOM 317 CG LYS A 20 10.359 -1.828 -5.819 1.00 13.22 C ATOM 318 CD LYS A 20 11.481 -1.211 -4.987 1.00 13.10 C ATOM 319 CE LYS A 20 12.697 -0.858 -5.839 1.00 74.34 C ATOM 320 NZ LYS A 20 13.361 -2.069 -6.390 1.00 62.31 N ATOM 0 H LYS A 20 7.690 -3.026 -3.147 1.00 60.13 H new ATOM 0 HA LYS A 20 9.292 -0.741 -3.527 1.00 11.20 H new ATOM 0 HB2 LYS A 20 9.658 -3.161 -4.293 1.00 1.31 H new ATOM 0 HB3 LYS A 20 8.497 -2.861 -5.570 1.00 1.31 H new ATOM 0 HG2 LYS A 20 10.763 -2.627 -6.441 1.00 13.22 H new ATOM 0 HG3 LYS A 20 9.949 -1.076 -6.493 1.00 13.22 H new ATOM 0 HD2 LYS A 20 11.113 -0.313 -4.491 1.00 13.10 H new ATOM 0 HD3 LYS A 20 11.777 -1.909 -4.204 1.00 13.10 H new ATOM 0 HE2 LYS A 20 12.389 -0.209 -6.659 1.00 74.34 H new ATOM 0 HE3 LYS A 20 13.411 -0.295 -5.237 1.00 74.34 H new ATOM 0 HZ1 LYS A 20 14.307 -1.817 -6.741 1.00 62.31 H new ATOM 0 HZ2 LYS A 20 13.449 -2.787 -5.643 1.00 62.31 H new ATOM 0 HZ3 LYS A 20 12.792 -2.451 -7.172 1.00 62.31 H new ATOM 334 N GLU A 21 6.587 -0.856 -5.443 1.00 22.41 N ATOM 335 CA GLU A 21 5.691 -0.035 -6.271 1.00 53.42 C ATOM 336 C GLU A 21 5.211 1.222 -5.525 1.00 40.23 C ATOM 337 O GLU A 21 5.354 2.341 -6.021 1.00 34.22 O ATOM 338 CB GLU A 21 4.472 -0.857 -6.719 1.00 60.25 C ATOM 339 CG GLU A 21 4.783 -1.976 -7.712 1.00 73.14 C ATOM 340 CD GLU A 21 5.181 -1.458 -9.086 1.00 62.13 C ATOM 341 OE1 GLU A 21 4.396 -0.703 -9.694 1.00 2.03 O ATOM 342 OE2 GLU A 21 6.278 -1.807 -9.573 1.00 30.23 O ATOM 0 H GLU A 21 6.265 -1.814 -5.303 1.00 22.41 H new ATOM 0 HA GLU A 21 6.262 0.283 -7.143 1.00 53.42 H new ATOM 0 HB2 GLU A 21 4.002 -1.293 -5.838 1.00 60.25 H new ATOM 0 HB3 GLU A 21 3.743 -0.183 -7.169 1.00 60.25 H new ATOM 0 HG2 GLU A 21 5.589 -2.593 -7.315 1.00 73.14 H new ATOM 0 HG3 GLU A 21 3.909 -2.619 -7.812 1.00 73.14 H new ATOM 349 N MET A 22 4.651 1.030 -4.328 1.00 70.44 N ATOM 350 CA MET A 22 4.099 2.142 -3.543 1.00 13.20 C ATOM 351 C MET A 22 5.169 3.199 -3.224 1.00 22.25 C ATOM 352 O MET A 22 4.953 4.397 -3.426 1.00 0.03 O ATOM 353 CB MET A 22 3.474 1.629 -2.238 1.00 54.04 C ATOM 354 CG MET A 22 2.349 0.624 -2.451 1.00 72.52 C ATOM 355 SD MET A 22 1.036 1.253 -3.520 1.00 41.22 S ATOM 356 CE MET A 22 0.419 2.630 -2.554 1.00 41.43 C ATOM 0 H MET A 22 4.567 0.117 -3.880 1.00 70.44 H new ATOM 0 HA MET A 22 3.326 2.612 -4.151 1.00 13.20 H new ATOM 0 HB2 MET A 22 4.252 1.167 -1.630 1.00 54.04 H new ATOM 0 HB3 MET A 22 3.089 2.477 -1.672 1.00 54.04 H new ATOM 0 HG2 MET A 22 2.760 -0.287 -2.887 1.00 72.52 H new ATOM 0 HG3 MET A 22 1.924 0.352 -1.485 1.00 72.52 H new ATOM 0 HE1 MET A 22 -0.655 2.730 -2.708 1.00 41.43 H new ATOM 0 HE2 MET A 22 0.619 2.452 -1.497 1.00 41.43 H new ATOM 0 HE3 MET A 22 0.918 3.547 -2.868 1.00 41.43 H new ATOM 366 N ILE A 23 6.324 2.751 -2.733 1.00 14.33 N ATOM 367 CA ILE A 23 7.409 3.668 -2.376 1.00 2.35 C ATOM 368 C ILE A 23 7.960 4.407 -3.608 1.00 30.24 C ATOM 369 O ILE A 23 8.191 5.613 -3.556 1.00 63.34 O ATOM 370 CB ILE A 23 8.566 2.935 -1.645 1.00 22.44 C ATOM 371 CG1 ILE A 23 8.067 2.343 -0.313 1.00 64.13 C ATOM 372 CG2 ILE A 23 9.747 3.881 -1.404 1.00 1.31 C ATOM 373 CD1 ILE A 23 9.146 1.645 0.492 1.00 33.14 C ATOM 0 H ILE A 23 6.533 1.765 -2.574 1.00 14.33 H new ATOM 0 HA ILE A 23 6.978 4.402 -1.695 1.00 2.35 H new ATOM 0 HB ILE A 23 8.911 2.120 -2.282 1.00 22.44 H new ATOM 0 HG12 ILE A 23 7.637 3.143 0.290 1.00 64.13 H new ATOM 0 HG13 ILE A 23 7.265 1.634 -0.520 1.00 64.13 H new ATOM 0 HG21 ILE A 23 10.545 3.344 -0.891 1.00 1.31 H new ATOM 0 HG22 ILE A 23 10.117 4.252 -2.360 1.00 1.31 H new ATOM 0 HG23 ILE A 23 9.421 4.721 -0.790 1.00 1.31 H new ATOM 0 HD11 ILE A 23 8.717 1.255 1.415 1.00 33.14 H new ATOM 0 HD12 ILE A 23 9.560 0.822 -0.091 1.00 33.14 H new ATOM 0 HD13 ILE A 23 9.938 2.355 0.731 1.00 33.14 H new ATOM 385 N ARG A 24 8.145 3.688 -4.720 1.00 5.55 N ATOM 386 CA ARG A 24 8.709 4.279 -5.947 1.00 22.41 C ATOM 387 C ARG A 24 7.960 5.561 -6.357 1.00 64.25 C ATOM 388 O ARG A 24 8.579 6.583 -6.657 1.00 43.34 O ATOM 389 CB ARG A 24 8.675 3.264 -7.098 1.00 2.31 C ATOM 390 CG ARG A 24 9.417 3.724 -8.351 1.00 42.35 C ATOM 391 CD ARG A 24 9.213 2.753 -9.510 1.00 74.14 C ATOM 392 NE ARG A 24 7.801 2.638 -9.871 1.00 13.03 N ATOM 393 CZ ARG A 24 7.169 1.509 -10.051 1.00 54.31 C ATOM 394 NH1 ARG A 24 7.797 0.378 -9.980 1.00 3.13 N ATOM 395 NH2 ARG A 24 5.900 1.517 -10.314 1.00 1.11 N ATOM 0 H ARG A 24 7.914 2.698 -4.800 1.00 5.55 H new ATOM 0 HA ARG A 24 9.744 4.546 -5.734 1.00 22.41 H new ATOM 0 HB2 ARG A 24 9.110 2.325 -6.754 1.00 2.31 H new ATOM 0 HB3 ARG A 24 7.636 3.058 -7.358 1.00 2.31 H new ATOM 0 HG2 ARG A 24 9.067 4.715 -8.639 1.00 42.35 H new ATOM 0 HG3 ARG A 24 10.481 3.813 -8.133 1.00 42.35 H new ATOM 0 HD2 ARG A 24 9.784 3.092 -10.374 1.00 74.14 H new ATOM 0 HD3 ARG A 24 9.601 1.772 -9.236 1.00 74.14 H new ATOM 0 HE ARG A 24 7.271 3.501 -9.991 1.00 13.03 H new ATOM 0 HH11 ARG A 24 8.797 0.362 -9.781 1.00 3.13 H new ATOM 0 HH12 ARG A 24 7.291 -0.496 -10.123 1.00 3.13 H new ATOM 0 HH21 ARG A 24 5.398 2.403 -10.380 1.00 1.11 H new ATOM 0 HH22 ARG A 24 5.403 0.638 -10.455 1.00 1.11 H new ATOM 409 N GLN A 25 6.625 5.501 -6.365 1.00 13.20 N ATOM 410 CA GLN A 25 5.801 6.689 -6.644 1.00 62.34 C ATOM 411 C GLN A 25 5.831 7.681 -5.465 1.00 24.13 C ATOM 412 O GLN A 25 5.986 8.888 -5.659 1.00 61.53 O ATOM 413 CB GLN A 25 4.340 6.293 -6.954 1.00 71.41 C ATOM 414 CG GLN A 25 4.113 5.711 -8.354 1.00 34.34 C ATOM 415 CD GLN A 25 4.755 4.348 -8.554 1.00 13.45 C ATOM 416 OE1 GLN A 25 5.902 4.242 -8.967 1.00 3.44 O ATOM 417 NE2 GLN A 25 4.012 3.292 -8.286 1.00 21.31 N ATOM 0 H GLN A 25 6.092 4.651 -6.183 1.00 13.20 H new ATOM 0 HA GLN A 25 6.227 7.177 -7.521 1.00 62.34 H new ATOM 0 HB2 GLN A 25 4.012 5.562 -6.215 1.00 71.41 H new ATOM 0 HB3 GLN A 25 3.707 7.173 -6.835 1.00 71.41 H new ATOM 0 HG2 GLN A 25 3.041 5.630 -8.536 1.00 34.34 H new ATOM 0 HG3 GLN A 25 4.510 6.404 -9.096 1.00 34.34 H new ATOM 0 HE21 GLN A 25 3.059 3.413 -7.943 1.00 21.31 H new ATOM 0 HE22 GLN A 25 4.390 2.355 -8.422 1.00 21.31 H new ATOM 426 N ALA A 26 5.702 7.157 -4.244 1.00 74.51 N ATOM 427 CA ALA A 26 5.632 7.991 -3.033 1.00 24.41 C ATOM 428 C ALA A 26 6.881 8.871 -2.835 1.00 53.24 C ATOM 429 O ALA A 26 6.786 9.970 -2.295 1.00 41.33 O ATOM 430 CB ALA A 26 5.405 7.113 -1.805 1.00 23.43 C ATOM 0 H ALA A 26 5.643 6.155 -4.063 1.00 74.51 H new ATOM 0 HA ALA A 26 4.789 8.669 -3.164 1.00 24.41 H new ATOM 0 HB1 ALA A 26 5.355 7.739 -0.914 1.00 23.43 H new ATOM 0 HB2 ALA A 26 4.469 6.566 -1.917 1.00 23.43 H new ATOM 0 HB3 ALA A 26 6.229 6.406 -1.706 1.00 23.43 H new ATOM 436 N ARG A 27 8.045 8.391 -3.278 1.00 74.15 N ATOM 437 CA ARG A 27 9.306 9.144 -3.134 1.00 3.41 C ATOM 438 C ARG A 27 9.241 10.516 -3.827 1.00 72.12 C ATOM 439 O ARG A 27 9.926 11.458 -3.427 1.00 43.11 O ATOM 440 CB ARG A 27 10.493 8.339 -3.685 1.00 12.31 C ATOM 441 CG ARG A 27 10.768 7.049 -2.922 1.00 33.21 C ATOM 442 CD ARG A 27 12.026 6.346 -3.425 1.00 35.03 C ATOM 443 NE ARG A 27 13.235 7.114 -3.135 1.00 5.33 N ATOM 444 CZ ARG A 27 14.443 6.725 -3.439 1.00 2.23 C ATOM 445 NH1 ARG A 27 14.645 5.612 -4.063 1.00 21.50 N ATOM 446 NH2 ARG A 27 15.455 7.462 -3.123 1.00 71.24 N ATOM 0 H ARG A 27 8.147 7.487 -3.739 1.00 74.15 H new ATOM 0 HA ARG A 27 9.452 9.312 -2.067 1.00 3.41 H new ATOM 0 HB2 ARG A 27 10.302 8.098 -4.731 1.00 12.31 H new ATOM 0 HB3 ARG A 27 11.386 8.963 -3.659 1.00 12.31 H new ATOM 0 HG2 ARG A 27 10.877 7.271 -1.860 1.00 33.21 H new ATOM 0 HG3 ARG A 27 9.914 6.379 -3.022 1.00 33.21 H new ATOM 0 HD2 ARG A 27 12.101 5.362 -2.962 1.00 35.03 H new ATOM 0 HD3 ARG A 27 11.947 6.187 -4.500 1.00 35.03 H new ATOM 0 HE ARG A 27 13.128 8.013 -2.664 1.00 5.33 H new ATOM 0 HH11 ARG A 27 13.854 5.024 -4.325 1.00 21.50 H new ATOM 0 HH12 ARG A 27 15.595 5.322 -4.294 1.00 21.50 H new ATOM 0 HH21 ARG A 27 15.310 8.347 -2.637 1.00 71.24 H new ATOM 0 HH22 ARG A 27 16.400 7.160 -3.360 1.00 71.24 H new ATOM 460 N LYS A 28 8.428 10.620 -4.877 1.00 62.01 N ATOM 461 CA LYS A 28 8.252 11.886 -5.601 1.00 5.10 C ATOM 462 C LYS A 28 7.475 12.912 -4.757 1.00 55.11 C ATOM 463 O LYS A 28 7.437 14.102 -5.081 1.00 64.34 O ATOM 464 CB LYS A 28 7.537 11.647 -6.947 1.00 43.41 C ATOM 465 CG LYS A 28 8.405 10.969 -8.013 1.00 71.32 C ATOM 466 CD LYS A 28 8.813 9.550 -7.622 1.00 41.52 C ATOM 467 CE LYS A 28 9.706 8.903 -8.677 1.00 61.05 C ATOM 468 NZ LYS A 28 9.023 8.774 -9.992 1.00 73.11 N ATOM 0 H LYS A 28 7.879 9.845 -5.248 1.00 62.01 H new ATOM 0 HA LYS A 28 9.243 12.295 -5.798 1.00 5.10 H new ATOM 0 HB2 LYS A 28 6.653 11.034 -6.771 1.00 43.41 H new ATOM 0 HB3 LYS A 28 7.189 12.604 -7.335 1.00 43.41 H new ATOM 0 HG2 LYS A 28 7.859 10.939 -8.956 1.00 71.32 H new ATOM 0 HG3 LYS A 28 9.300 11.567 -8.182 1.00 71.32 H new ATOM 0 HD2 LYS A 28 9.338 9.573 -6.667 1.00 41.52 H new ATOM 0 HD3 LYS A 28 7.920 8.942 -7.480 1.00 41.52 H new ATOM 0 HE2 LYS A 28 10.612 9.497 -8.797 1.00 61.05 H new ATOM 0 HE3 LYS A 28 10.016 7.916 -8.332 1.00 61.05 H new ATOM 0 HZ1 LYS A 28 9.598 8.182 -10.625 1.00 73.11 H new ATOM 0 HZ2 LYS A 28 8.091 8.333 -9.857 1.00 73.11 H new ATOM 0 HZ3 LYS A 28 8.902 9.717 -10.414 1.00 73.11 H new ATOM 482 N PHE A 29 6.855 12.443 -3.676 1.00 30.31 N ATOM 483 CA PHE A 29 6.096 13.307 -2.769 1.00 54.23 C ATOM 484 C PHE A 29 6.768 13.367 -1.388 1.00 54.40 C ATOM 485 O PHE A 29 6.894 12.352 -0.709 1.00 72.03 O ATOM 486 CB PHE A 29 4.656 12.789 -2.648 1.00 11.32 C ATOM 487 CG PHE A 29 3.985 12.608 -3.989 1.00 73.45 C ATOM 488 CD1 PHE A 29 3.470 13.698 -4.678 1.00 3.14 C ATOM 489 CD2 PHE A 29 3.895 11.350 -4.575 1.00 41.32 C ATOM 490 CE1 PHE A 29 2.877 13.536 -5.917 1.00 32.55 C ATOM 491 CE2 PHE A 29 3.300 11.184 -5.811 1.00 74.50 C ATOM 492 CZ PHE A 29 2.794 12.279 -6.484 1.00 24.41 C ATOM 0 H PHE A 29 6.863 11.460 -3.404 1.00 30.31 H new ATOM 0 HA PHE A 29 6.076 14.318 -3.176 1.00 54.23 H new ATOM 0 HB2 PHE A 29 4.661 11.837 -2.118 1.00 11.32 H new ATOM 0 HB3 PHE A 29 4.073 13.486 -2.046 1.00 11.32 H new ATOM 0 HD1 PHE A 29 3.533 14.684 -4.241 1.00 3.14 H new ATOM 0 HD2 PHE A 29 4.296 10.491 -4.057 1.00 41.32 H new ATOM 0 HE1 PHE A 29 2.479 14.392 -6.441 1.00 32.55 H new ATOM 0 HE2 PHE A 29 3.231 10.200 -6.250 1.00 74.50 H new ATOM 0 HZ PHE A 29 2.334 12.153 -7.453 1.00 24.41 H new ATOM 502 N ALA A 30 7.201 14.564 -0.987 1.00 62.22 N ATOM 503 CA ALA A 30 7.938 14.750 0.271 1.00 40.12 C ATOM 504 C ALA A 30 7.173 14.212 1.496 1.00 74.55 C ATOM 505 O ALA A 30 6.417 14.937 2.149 1.00 71.41 O ATOM 506 CB ALA A 30 8.286 16.223 0.461 1.00 14.43 C ATOM 0 H ALA A 30 7.055 15.424 -1.516 1.00 62.22 H new ATOM 0 HA ALA A 30 8.855 14.166 0.195 1.00 40.12 H new ATOM 0 HB1 ALA A 30 8.832 16.350 1.396 1.00 14.43 H new ATOM 0 HB2 ALA A 30 8.906 16.561 -0.370 1.00 14.43 H new ATOM 0 HB3 ALA A 30 7.370 16.812 0.493 1.00 14.43 H new ATOM 512 N GLY A 31 7.368 12.930 1.786 1.00 74.44 N ATOM 513 CA GLY A 31 6.758 12.307 2.953 1.00 51.14 C ATOM 514 C GLY A 31 7.601 11.163 3.511 1.00 73.14 C ATOM 515 O GLY A 31 8.823 11.142 3.341 1.00 35.12 O ATOM 0 H GLY A 31 7.945 12.302 1.227 1.00 74.44 H new ATOM 0 HA2 GLY A 31 6.613 13.059 3.728 1.00 51.14 H new ATOM 0 HA3 GLY A 31 5.771 11.930 2.686 1.00 51.14 H new ATOM 519 N THR A 32 6.952 10.213 4.181 1.00 33.23 N ATOM 520 CA THR A 32 7.641 9.045 4.760 1.00 31.14 C ATOM 521 C THR A 32 6.733 7.806 4.755 1.00 63.33 C ATOM 522 O THR A 32 5.553 7.889 5.095 1.00 34.23 O ATOM 523 CB THR A 32 8.117 9.317 6.216 1.00 5.15 C ATOM 524 OG1 THR A 32 9.121 10.344 6.224 1.00 42.15 O ATOM 525 CG2 THR A 32 8.686 8.058 6.869 1.00 52.52 C ATOM 0 H THR A 32 5.945 10.223 4.341 1.00 33.23 H new ATOM 0 HA THR A 32 8.514 8.859 4.134 1.00 31.14 H new ATOM 0 HB THR A 32 7.247 9.639 6.788 1.00 5.15 H new ATOM 0 HG1 THR A 32 9.286 10.648 5.307 1.00 42.15 H new ATOM 0 HG21 THR A 32 9.008 8.288 7.885 1.00 52.52 H new ATOM 0 HG22 THR A 32 7.918 7.285 6.898 1.00 52.52 H new ATOM 0 HG23 THR A 32 9.538 7.702 6.291 1.00 52.52 H new ATOM 533 N VAL A 33 7.292 6.659 4.364 1.00 62.42 N ATOM 534 CA VAL A 33 6.541 5.398 4.323 1.00 14.04 C ATOM 535 C VAL A 33 7.132 4.356 5.291 1.00 75.32 C ATOM 536 O VAL A 33 8.319 4.032 5.227 1.00 5.42 O ATOM 537 CB VAL A 33 6.525 4.800 2.891 1.00 44.14 C ATOM 538 CG1 VAL A 33 5.720 3.501 2.845 1.00 60.34 C ATOM 539 CG2 VAL A 33 5.975 5.811 1.885 1.00 73.33 C ATOM 0 H VAL A 33 8.265 6.575 4.070 1.00 62.42 H new ATOM 0 HA VAL A 33 5.522 5.632 4.630 1.00 14.04 H new ATOM 0 HB VAL A 33 7.554 4.569 2.616 1.00 44.14 H new ATOM 0 HG11 VAL A 33 5.726 3.105 1.830 1.00 60.34 H new ATOM 0 HG12 VAL A 33 6.166 2.772 3.522 1.00 60.34 H new ATOM 0 HG13 VAL A 33 4.693 3.699 3.151 1.00 60.34 H new ATOM 0 HG21 VAL A 33 5.974 5.369 0.889 1.00 73.33 H new ATOM 0 HG22 VAL A 33 4.957 6.083 2.163 1.00 73.33 H new ATOM 0 HG23 VAL A 33 6.602 6.703 1.885 1.00 73.33 H new ATOM 549 N THR A 34 6.294 3.837 6.185 1.00 24.41 N ATOM 550 CA THR A 34 6.697 2.767 7.114 1.00 20.41 C ATOM 551 C THR A 34 5.861 1.503 6.865 1.00 2.31 C ATOM 552 O THR A 34 4.734 1.590 6.382 1.00 14.03 O ATOM 553 CB THR A 34 6.555 3.205 8.597 1.00 53.53 C ATOM 554 OG1 THR A 34 6.982 2.151 9.476 1.00 41.15 O ATOM 555 CG2 THR A 34 5.117 3.594 8.930 1.00 42.20 C ATOM 0 H THR A 34 5.325 4.137 6.291 1.00 24.41 H new ATOM 0 HA THR A 34 7.749 2.553 6.926 1.00 20.41 H new ATOM 0 HB THR A 34 7.191 4.079 8.741 1.00 53.53 H new ATOM 0 HG1 THR A 34 6.888 2.443 10.407 1.00 41.15 H new ATOM 0 HG21 THR A 34 5.054 3.895 9.976 1.00 42.20 H new ATOM 0 HG22 THR A 34 4.808 4.424 8.294 1.00 42.20 H new ATOM 0 HG23 THR A 34 4.460 2.741 8.758 1.00 42.20 H new ATOM 563 N TYR A 35 6.401 0.331 7.190 1.00 34.42 N ATOM 564 CA TYR A 35 5.735 -0.933 6.854 1.00 44.21 C ATOM 565 C TYR A 35 5.880 -1.990 7.961 1.00 14.31 C ATOM 566 O TYR A 35 6.927 -2.106 8.596 1.00 4.05 O ATOM 567 CB TYR A 35 6.277 -1.474 5.522 1.00 71.11 C ATOM 568 CG TYR A 35 7.787 -1.623 5.478 1.00 62.04 C ATOM 569 CD1 TYR A 35 8.604 -0.552 5.126 1.00 54.33 C ATOM 570 CD2 TYR A 35 8.396 -2.836 5.780 1.00 4.43 C ATOM 571 CE1 TYR A 35 9.977 -0.687 5.081 1.00 32.00 C ATOM 572 CE2 TYR A 35 9.768 -2.978 5.736 1.00 23.25 C ATOM 573 CZ TYR A 35 10.554 -1.901 5.384 1.00 12.30 C ATOM 574 OH TYR A 35 11.922 -2.040 5.338 1.00 53.04 O ATOM 0 H TYR A 35 7.289 0.226 7.681 1.00 34.42 H new ATOM 0 HA TYR A 35 4.670 -0.722 6.757 1.00 44.21 H new ATOM 0 HB2 TYR A 35 5.822 -2.445 5.325 1.00 71.11 H new ATOM 0 HB3 TYR A 35 5.966 -0.807 4.718 1.00 71.11 H new ATOM 0 HD1 TYR A 35 8.156 0.400 4.884 1.00 54.33 H new ATOM 0 HD2 TYR A 35 7.784 -3.683 6.054 1.00 4.43 H new ATOM 0 HE1 TYR A 35 10.596 0.155 4.810 1.00 32.00 H new ATOM 0 HE2 TYR A 35 10.224 -3.927 5.976 1.00 23.25 H new ATOM 0 HH TYR A 35 12.166 -2.958 5.580 1.00 53.04 H new ATOM 584 N THR A 36 4.814 -2.758 8.181 1.00 45.03 N ATOM 585 CA THR A 36 4.802 -3.820 9.191 1.00 43.02 C ATOM 586 C THR A 36 4.550 -5.192 8.549 1.00 63.33 C ATOM 587 O THR A 36 3.545 -5.386 7.862 1.00 34.00 O ATOM 588 CB THR A 36 3.701 -3.571 10.250 1.00 72.25 C ATOM 589 OG1 THR A 36 3.760 -2.221 10.735 1.00 23.22 O ATOM 590 CG2 THR A 36 3.847 -4.534 11.419 1.00 31.00 C ATOM 0 H THR A 36 3.937 -2.664 7.668 1.00 45.03 H new ATOM 0 HA THR A 36 5.782 -3.811 9.669 1.00 43.02 H new ATOM 0 HB THR A 36 2.736 -3.738 9.770 1.00 72.25 H new ATOM 0 HG1 THR A 36 2.853 -1.857 10.800 1.00 23.22 H new ATOM 0 HG21 THR A 36 3.062 -4.340 12.150 1.00 31.00 H new ATOM 0 HG22 THR A 36 3.762 -5.559 11.059 1.00 31.00 H new ATOM 0 HG23 THR A 36 4.822 -4.394 11.887 1.00 31.00 H new ATOM 598 N LEU A 37 5.462 -6.137 8.765 1.00 25.11 N ATOM 599 CA LEU A 37 5.300 -7.509 8.249 1.00 40.52 C ATOM 600 C LEU A 37 4.804 -8.461 9.348 1.00 65.21 C ATOM 601 O LEU A 37 5.458 -8.623 10.378 1.00 53.31 O ATOM 602 CB LEU A 37 6.627 -8.042 7.670 1.00 44.32 C ATOM 603 CG LEU A 37 6.987 -7.575 6.247 1.00 73.23 C ATOM 604 CD1 LEU A 37 5.939 -8.046 5.242 1.00 41.45 C ATOM 605 CD2 LEU A 37 7.151 -6.060 6.190 1.00 60.45 C ATOM 0 H LEU A 37 6.322 -5.986 9.292 1.00 25.11 H new ATOM 0 HA LEU A 37 4.555 -7.469 7.454 1.00 40.52 H new ATOM 0 HB2 LEU A 37 7.435 -7.750 8.341 1.00 44.32 H new ATOM 0 HB3 LEU A 37 6.589 -9.131 7.673 1.00 44.32 H new ATOM 0 HG LEU A 37 7.943 -8.024 5.979 1.00 73.23 H new ATOM 0 HD11 LEU A 37 6.213 -7.705 4.244 1.00 41.45 H new ATOM 0 HD12 LEU A 37 5.888 -9.135 5.252 1.00 41.45 H new ATOM 0 HD13 LEU A 37 4.966 -7.635 5.511 1.00 41.45 H new ATOM 0 HD21 LEU A 37 7.405 -5.760 5.173 1.00 60.45 H new ATOM 0 HD22 LEU A 37 6.218 -5.582 6.487 1.00 60.45 H new ATOM 0 HD23 LEU A 37 7.948 -5.754 6.868 1.00 60.45 H new ATOM 617 N ASP A 38 3.656 -9.097 9.121 1.00 52.41 N ATOM 618 CA ASP A 38 3.114 -10.069 10.079 1.00 71.01 C ATOM 619 C ASP A 38 2.623 -11.342 9.365 1.00 25.54 C ATOM 620 O ASP A 38 1.442 -11.473 9.038 1.00 34.43 O ATOM 621 CB ASP A 38 1.978 -9.437 10.893 1.00 22.30 C ATOM 622 CG ASP A 38 1.503 -10.342 12.017 1.00 44.12 C ATOM 623 OD1 ASP A 38 2.203 -10.431 13.047 1.00 64.15 O ATOM 624 OD2 ASP A 38 0.439 -10.982 11.874 1.00 41.33 O ATOM 0 H ASP A 38 3.083 -8.960 8.288 1.00 52.41 H new ATOM 0 HA ASP A 38 3.916 -10.356 10.759 1.00 71.01 H new ATOM 0 HB2 ASP A 38 2.317 -8.489 11.311 1.00 22.30 H new ATOM 0 HB3 ASP A 38 1.141 -9.213 10.232 1.00 22.30 H new ATOM 629 N GLY A 39 3.546 -12.268 9.112 1.00 45.15 N ATOM 630 CA GLY A 39 3.204 -13.526 8.450 1.00 43.32 C ATOM 631 C GLY A 39 2.595 -13.339 7.057 1.00 31.15 C ATOM 632 O GLY A 39 3.313 -13.261 6.056 1.00 23.52 O ATOM 0 H GLY A 39 4.532 -12.172 9.354 1.00 45.15 H new ATOM 0 HA2 GLY A 39 4.102 -14.139 8.366 1.00 43.32 H new ATOM 0 HA3 GLY A 39 2.500 -14.076 9.074 1.00 43.32 H new ATOM 636 N ASN A 40 1.268 -13.262 6.994 1.00 32.12 N ATOM 637 CA ASN A 40 0.549 -13.106 5.722 1.00 54.30 C ATOM 638 C ASN A 40 0.220 -11.633 5.435 1.00 74.33 C ATOM 639 O ASN A 40 -0.121 -11.272 4.308 1.00 42.33 O ATOM 640 CB ASN A 40 -0.749 -13.922 5.757 1.00 54.10 C ATOM 641 CG ASN A 40 -0.515 -15.353 6.203 1.00 61.45 C ATOM 642 OD1 ASN A 40 -0.216 -16.228 5.399 1.00 65.14 O ATOM 643 ND2 ASN A 40 -0.654 -15.605 7.489 1.00 15.34 N ATOM 0 H ASN A 40 0.661 -13.305 7.813 1.00 32.12 H new ATOM 0 HA ASN A 40 1.198 -13.470 4.925 1.00 54.30 H new ATOM 0 HB2 ASN A 40 -1.458 -13.444 6.433 1.00 54.10 H new ATOM 0 HB3 ASN A 40 -1.203 -13.922 4.766 1.00 54.10 H new ATOM 0 HD21 ASN A 40 -0.512 -16.552 7.841 1.00 15.34 H new ATOM 0 HD22 ASN A 40 -0.904 -14.853 8.132 1.00 15.34 H new ATOM 650 N ASP A 41 0.332 -10.792 6.459 1.00 52.22 N ATOM 651 CA ASP A 41 -0.078 -9.388 6.366 1.00 63.00 C ATOM 652 C ASP A 41 1.101 -8.441 6.084 1.00 34.24 C ATOM 653 O ASP A 41 2.243 -8.698 6.484 1.00 11.44 O ATOM 654 CB ASP A 41 -0.781 -8.970 7.661 1.00 74.12 C ATOM 655 CG ASP A 41 -2.007 -9.820 7.948 1.00 1.42 C ATOM 656 OD1 ASP A 41 -1.848 -10.966 8.416 1.00 74.50 O ATOM 657 OD2 ASP A 41 -3.134 -9.350 7.713 1.00 32.44 O ATOM 0 H ASP A 41 0.706 -11.058 7.370 1.00 52.22 H new ATOM 0 HA ASP A 41 -0.762 -9.307 5.521 1.00 63.00 H new ATOM 0 HB2 ASP A 41 -0.082 -9.050 8.494 1.00 74.12 H new ATOM 0 HB3 ASP A 41 -1.075 -7.923 7.591 1.00 74.12 H new ATOM 662 N LEU A 42 0.802 -7.347 5.386 1.00 45.20 N ATOM 663 CA LEU A 42 1.774 -6.282 5.111 1.00 42.14 C ATOM 664 C LEU A 42 1.121 -4.899 5.263 1.00 43.10 C ATOM 665 O LEU A 42 0.401 -4.442 4.377 1.00 23.33 O ATOM 666 CB LEU A 42 2.358 -6.442 3.697 1.00 21.14 C ATOM 667 CG LEU A 42 3.201 -5.261 3.177 1.00 20.21 C ATOM 668 CD1 LEU A 42 4.416 -5.017 4.068 1.00 3.21 C ATOM 669 CD2 LEU A 42 3.632 -5.504 1.730 1.00 31.32 C ATOM 0 H LEU A 42 -0.122 -7.171 4.993 1.00 45.20 H new ATOM 0 HA LEU A 42 2.584 -6.362 5.836 1.00 42.14 H new ATOM 0 HB2 LEU A 42 2.976 -7.339 3.680 1.00 21.14 H new ATOM 0 HB3 LEU A 42 1.535 -6.609 3.002 1.00 21.14 H new ATOM 0 HG LEU A 42 2.580 -4.366 3.206 1.00 20.21 H new ATOM 0 HD11 LEU A 42 4.992 -4.178 3.677 1.00 3.21 H new ATOM 0 HD12 LEU A 42 4.084 -4.788 5.081 1.00 3.21 H new ATOM 0 HD13 LEU A 42 5.041 -5.910 4.084 1.00 3.21 H new ATOM 0 HD21 LEU A 42 4.226 -4.660 1.381 1.00 31.32 H new ATOM 0 HD22 LEU A 42 4.229 -6.414 1.676 1.00 31.32 H new ATOM 0 HD23 LEU A 42 2.749 -5.611 1.100 1.00 31.32 H new ATOM 681 N GLU A 43 1.360 -4.251 6.397 1.00 71.13 N ATOM 682 CA GLU A 43 0.795 -2.924 6.666 1.00 2.51 C ATOM 683 C GLU A 43 1.729 -1.806 6.172 1.00 24.40 C ATOM 684 O GLU A 43 2.753 -1.526 6.791 1.00 54.44 O ATOM 685 CB GLU A 43 0.542 -2.764 8.175 1.00 12.30 C ATOM 686 CG GLU A 43 0.006 -1.391 8.574 1.00 55.42 C ATOM 687 CD GLU A 43 -0.048 -1.185 10.082 1.00 75.23 C ATOM 688 OE1 GLU A 43 0.966 -1.453 10.761 1.00 4.12 O ATOM 689 OE2 GLU A 43 -1.098 -0.740 10.596 1.00 21.33 O ATOM 0 H GLU A 43 1.942 -4.620 7.149 1.00 71.13 H new ATOM 0 HA GLU A 43 -0.147 -2.840 6.124 1.00 2.51 H new ATOM 0 HB2 GLU A 43 -0.167 -3.527 8.497 1.00 12.30 H new ATOM 0 HB3 GLU A 43 1.473 -2.948 8.710 1.00 12.30 H new ATOM 0 HG2 GLU A 43 0.635 -0.619 8.130 1.00 55.42 H new ATOM 0 HG3 GLU A 43 -0.994 -1.264 8.160 1.00 55.42 H new ATOM 696 N ILE A 44 1.381 -1.181 5.051 1.00 60.42 N ATOM 697 CA ILE A 44 2.170 -0.066 4.511 1.00 42.42 C ATOM 698 C ILE A 44 1.508 1.286 4.830 1.00 14.32 C ATOM 699 O ILE A 44 0.473 1.634 4.262 1.00 13.42 O ATOM 700 CB ILE A 44 2.352 -0.195 2.974 1.00 12.12 C ATOM 701 CG1 ILE A 44 3.035 -1.529 2.621 1.00 44.00 C ATOM 702 CG2 ILE A 44 3.155 0.986 2.419 1.00 55.42 C ATOM 703 CD1 ILE A 44 3.247 -1.739 1.133 1.00 23.14 C ATOM 0 H ILE A 44 0.560 -1.423 4.496 1.00 60.42 H new ATOM 0 HA ILE A 44 3.149 -0.108 4.988 1.00 42.42 H new ATOM 0 HB ILE A 44 1.365 -0.180 2.512 1.00 12.12 H new ATOM 0 HG12 ILE A 44 4.000 -1.576 3.125 1.00 44.00 H new ATOM 0 HG13 ILE A 44 2.432 -2.349 3.011 1.00 44.00 H new ATOM 0 HG21 ILE A 44 3.269 0.874 1.341 1.00 55.42 H new ATOM 0 HG22 ILE A 44 2.629 1.916 2.633 1.00 55.42 H new ATOM 0 HG23 ILE A 44 4.139 1.009 2.888 1.00 55.42 H new ATOM 0 HD11 ILE A 44 3.733 -2.700 0.967 1.00 23.14 H new ATOM 0 HD12 ILE A 44 2.284 -1.726 0.623 1.00 23.14 H new ATOM 0 HD13 ILE A 44 3.877 -0.941 0.739 1.00 23.14 H new ATOM 715 N ARG A 45 2.112 2.048 5.735 1.00 14.33 N ATOM 716 CA ARG A 45 1.581 3.357 6.123 1.00 12.00 C ATOM 717 C ARG A 45 2.288 4.493 5.371 1.00 42.44 C ATOM 718 O ARG A 45 3.459 4.784 5.625 1.00 25.30 O ATOM 719 CB ARG A 45 1.732 3.571 7.636 1.00 44.24 C ATOM 720 CG ARG A 45 1.019 2.524 8.489 1.00 71.43 C ATOM 721 CD ARG A 45 1.157 2.818 9.980 1.00 1.11 C ATOM 722 NE ARG A 45 0.464 1.827 10.797 1.00 1.42 N ATOM 723 CZ ARG A 45 0.728 1.595 12.055 1.00 53.22 C ATOM 724 NH1 ARG A 45 1.649 2.261 12.679 1.00 14.00 N ATOM 725 NH2 ARG A 45 0.061 0.690 12.687 1.00 34.41 N ATOM 0 H ARG A 45 2.972 1.784 6.217 1.00 14.33 H new ATOM 0 HA ARG A 45 0.524 3.373 5.858 1.00 12.00 H new ATOM 0 HB2 ARG A 45 2.792 3.568 7.888 1.00 44.24 H new ATOM 0 HB3 ARG A 45 1.346 4.557 7.893 1.00 44.24 H new ATOM 0 HG2 ARG A 45 -0.037 2.494 8.221 1.00 71.43 H new ATOM 0 HG3 ARG A 45 1.430 1.538 8.273 1.00 71.43 H new ATOM 0 HD2 ARG A 45 2.213 2.837 10.250 1.00 1.11 H new ATOM 0 HD3 ARG A 45 0.756 3.809 10.193 1.00 1.11 H new ATOM 0 HE ARG A 45 -0.275 1.279 10.357 1.00 1.42 H new ATOM 0 HH11 ARG A 45 2.181 2.979 12.187 1.00 14.00 H new ATOM 0 HH12 ARG A 45 1.842 2.067 13.662 1.00 14.00 H new ATOM 0 HH21 ARG A 45 -0.666 0.162 12.204 1.00 34.41 H new ATOM 0 HH22 ARG A 45 0.261 0.502 13.670 1.00 34.41 H new ATOM 739 N ILE A 46 1.577 5.125 4.441 1.00 22.42 N ATOM 740 CA ILE A 46 2.119 6.266 3.698 1.00 13.55 C ATOM 741 C ILE A 46 1.713 7.593 4.362 1.00 4.41 C ATOM 742 O ILE A 46 0.523 7.879 4.526 1.00 51.10 O ATOM 743 CB ILE A 46 1.645 6.258 2.223 1.00 21.50 C ATOM 744 CG1 ILE A 46 2.012 4.923 1.550 1.00 41.04 C ATOM 745 CG2 ILE A 46 2.254 7.433 1.456 1.00 2.43 C ATOM 746 CD1 ILE A 46 1.576 4.825 0.102 1.00 60.33 C ATOM 0 H ILE A 46 0.624 4.869 4.182 1.00 22.42 H new ATOM 0 HA ILE A 46 3.205 6.175 3.714 1.00 13.55 H new ATOM 0 HB ILE A 46 0.560 6.366 2.208 1.00 21.50 H new ATOM 0 HG12 ILE A 46 3.092 4.785 1.604 1.00 41.04 H new ATOM 0 HG13 ILE A 46 1.558 4.107 2.112 1.00 41.04 H new ATOM 0 HG21 ILE A 46 1.909 7.410 0.422 1.00 2.43 H new ATOM 0 HG22 ILE A 46 1.946 8.370 1.921 1.00 2.43 H new ATOM 0 HG23 ILE A 46 3.341 7.357 1.478 1.00 2.43 H new ATOM 0 HD11 ILE A 46 1.870 3.856 -0.302 1.00 60.33 H new ATOM 0 HD12 ILE A 46 0.493 4.930 0.040 1.00 60.33 H new ATOM 0 HD13 ILE A 46 2.051 5.618 -0.475 1.00 60.33 H new ATOM 758 N THR A 47 2.705 8.397 4.741 1.00 15.43 N ATOM 759 CA THR A 47 2.460 9.659 5.459 1.00 23.31 C ATOM 760 C THR A 47 2.972 10.874 4.671 1.00 12.45 C ATOM 761 O THR A 47 4.132 10.911 4.257 1.00 60.20 O ATOM 762 CB THR A 47 3.154 9.650 6.847 1.00 42.33 C ATOM 763 OG1 THR A 47 2.768 8.481 7.587 1.00 55.34 O ATOM 764 CG2 THR A 47 2.801 10.899 7.651 1.00 52.03 C ATOM 0 H THR A 47 3.690 8.201 4.565 1.00 15.43 H new ATOM 0 HA THR A 47 1.380 9.741 5.580 1.00 23.31 H new ATOM 0 HB THR A 47 4.231 9.639 6.679 1.00 42.33 H new ATOM 0 HG1 THR A 47 3.213 8.485 8.460 1.00 55.34 H new ATOM 0 HG21 THR A 47 3.302 10.863 8.618 1.00 52.03 H new ATOM 0 HG22 THR A 47 3.126 11.786 7.107 1.00 52.03 H new ATOM 0 HG23 THR A 47 1.722 10.941 7.803 1.00 52.03 H new ATOM 772 N GLY A 48 2.107 11.869 4.478 1.00 15.01 N ATOM 773 CA GLY A 48 2.516 13.110 3.821 1.00 22.14 C ATOM 774 C GLY A 48 2.322 13.102 2.306 1.00 60.01 C ATOM 775 O GLY A 48 3.284 13.245 1.545 1.00 45.14 O ATOM 0 H GLY A 48 1.128 11.842 4.764 1.00 15.01 H new ATOM 0 HA2 GLY A 48 1.949 13.938 4.246 1.00 22.14 H new ATOM 0 HA3 GLY A 48 3.567 13.297 4.042 1.00 22.14 H new ATOM 779 N VAL A 49 1.074 12.959 1.863 1.00 11.14 N ATOM 780 CA VAL A 49 0.749 12.937 0.428 1.00 21.53 C ATOM 781 C VAL A 49 -0.444 13.859 0.103 1.00 34.41 C ATOM 782 O VAL A 49 -1.352 14.023 0.920 1.00 3.30 O ATOM 783 CB VAL A 49 0.426 11.498 -0.063 1.00 60.15 C ATOM 784 CG1 VAL A 49 1.673 10.612 -0.012 1.00 42.14 C ATOM 785 CG2 VAL A 49 -0.714 10.885 0.753 1.00 12.30 C ATOM 0 H VAL A 49 0.265 12.856 2.476 1.00 11.14 H new ATOM 0 HA VAL A 49 1.634 13.301 -0.094 1.00 21.53 H new ATOM 0 HB VAL A 49 0.100 11.561 -1.101 1.00 60.15 H new ATOM 0 HG11 VAL A 49 1.422 9.610 -0.360 1.00 42.14 H new ATOM 0 HG12 VAL A 49 2.447 11.036 -0.652 1.00 42.14 H new ATOM 0 HG13 VAL A 49 2.040 10.559 1.013 1.00 42.14 H new ATOM 0 HG21 VAL A 49 -0.921 9.878 0.390 1.00 12.30 H new ATOM 0 HG22 VAL A 49 -0.426 10.840 1.803 1.00 12.30 H new ATOM 0 HG23 VAL A 49 -1.608 11.499 0.648 1.00 12.30 H new ATOM 795 N PRO A 50 -0.451 14.488 -1.094 1.00 64.33 N ATOM 796 CA PRO A 50 -1.573 15.337 -1.537 1.00 3.12 C ATOM 797 C PRO A 50 -2.827 14.516 -1.893 1.00 11.21 C ATOM 798 O PRO A 50 -2.741 13.472 -2.550 1.00 54.15 O ATOM 799 CB PRO A 50 -1.008 16.050 -2.774 1.00 32.04 C ATOM 800 CG PRO A 50 0.033 15.119 -3.301 1.00 71.34 C ATOM 801 CD PRO A 50 0.633 14.435 -2.099 1.00 31.30 C ATOM 0 HA PRO A 50 -1.907 16.020 -0.756 1.00 3.12 H new ATOM 0 HB2 PRO A 50 -1.786 16.235 -3.515 1.00 32.04 H new ATOM 0 HB3 PRO A 50 -0.579 17.018 -2.513 1.00 32.04 H new ATOM 0 HG2 PRO A 50 -0.405 14.392 -3.984 1.00 71.34 H new ATOM 0 HG3 PRO A 50 0.795 15.663 -3.860 1.00 71.34 H new ATOM 0 HD2 PRO A 50 0.922 13.408 -2.324 1.00 31.30 H new ATOM 0 HD3 PRO A 50 1.529 14.949 -1.750 1.00 31.30 H new ATOM 809 N GLU A 51 -3.992 15.005 -1.470 1.00 21.52 N ATOM 810 CA GLU A 51 -5.260 14.285 -1.652 1.00 41.24 C ATOM 811 C GLU A 51 -5.539 13.926 -3.124 1.00 22.21 C ATOM 812 O GLU A 51 -6.069 12.851 -3.418 1.00 55.02 O ATOM 813 CB GLU A 51 -6.415 15.114 -1.078 1.00 51.31 C ATOM 814 CG GLU A 51 -7.786 14.477 -1.273 1.00 11.32 C ATOM 815 CD GLU A 51 -8.872 15.164 -0.466 1.00 65.21 C ATOM 816 OE1 GLU A 51 -9.342 16.242 -0.887 1.00 3.53 O ATOM 817 OE2 GLU A 51 -9.260 14.630 0.595 1.00 42.44 O ATOM 0 H GLU A 51 -4.088 15.903 -0.995 1.00 21.52 H new ATOM 0 HA GLU A 51 -5.175 13.342 -1.112 1.00 41.24 H new ATOM 0 HB2 GLU A 51 -6.245 15.268 -0.013 1.00 51.31 H new ATOM 0 HB3 GLU A 51 -6.412 16.098 -1.547 1.00 51.31 H new ATOM 0 HG2 GLU A 51 -8.050 14.509 -2.330 1.00 11.32 H new ATOM 0 HG3 GLU A 51 -7.737 13.426 -0.988 1.00 11.32 H new ATOM 824 N GLN A 52 -5.168 14.817 -4.044 1.00 31.53 N ATOM 825 CA GLN A 52 -5.387 14.584 -5.480 1.00 21.15 C ATOM 826 C GLN A 52 -4.678 13.300 -5.960 1.00 64.33 C ATOM 827 O GLN A 52 -5.137 12.629 -6.886 1.00 75.55 O ATOM 828 CB GLN A 52 -4.901 15.797 -6.296 1.00 3.23 C ATOM 829 CG GLN A 52 -3.382 15.926 -6.376 1.00 31.43 C ATOM 830 CD GLN A 52 -2.922 17.240 -6.991 1.00 33.33 C ATOM 831 OE1 GLN A 52 -3.552 18.280 -6.818 1.00 62.51 O ATOM 832 NE2 GLN A 52 -1.836 17.200 -7.737 1.00 31.54 N ATOM 0 H GLN A 52 -4.716 15.705 -3.826 1.00 31.53 H new ATOM 0 HA GLN A 52 -6.458 14.452 -5.637 1.00 21.15 H new ATOM 0 HB2 GLN A 52 -5.303 15.726 -7.307 1.00 3.23 H new ATOM 0 HB3 GLN A 52 -5.309 16.706 -5.854 1.00 3.23 H new ATOM 0 HG2 GLN A 52 -2.963 15.835 -5.374 1.00 31.43 H new ATOM 0 HG3 GLN A 52 -2.984 15.099 -6.964 1.00 31.43 H new ATOM 0 HE21 GLN A 52 -1.335 16.320 -7.861 1.00 31.54 H new ATOM 0 HE22 GLN A 52 -1.497 18.049 -8.190 1.00 31.54 H new ATOM 841 N VAL A 53 -3.555 12.965 -5.321 1.00 32.03 N ATOM 842 CA VAL A 53 -2.793 11.755 -5.662 1.00 73.55 C ATOM 843 C VAL A 53 -3.224 10.560 -4.793 1.00 1.23 C ATOM 844 O VAL A 53 -3.203 9.412 -5.244 1.00 71.52 O ATOM 845 CB VAL A 53 -1.268 11.989 -5.498 1.00 21.12 C ATOM 846 CG1 VAL A 53 -0.471 10.745 -5.892 1.00 54.31 C ATOM 847 CG2 VAL A 53 -0.821 13.201 -6.316 1.00 32.02 C ATOM 0 H VAL A 53 -3.150 13.514 -4.563 1.00 32.03 H new ATOM 0 HA VAL A 53 -3.007 11.526 -6.706 1.00 73.55 H new ATOM 0 HB VAL A 53 -1.070 12.190 -4.445 1.00 21.12 H new ATOM 0 HG11 VAL A 53 0.594 10.940 -5.766 1.00 54.31 H new ATOM 0 HG12 VAL A 53 -0.764 9.909 -5.257 1.00 54.31 H new ATOM 0 HG13 VAL A 53 -0.674 10.498 -6.934 1.00 54.31 H new ATOM 0 HG21 VAL A 53 0.251 13.350 -6.189 1.00 32.02 H new ATOM 0 HG22 VAL A 53 -1.041 13.030 -7.370 1.00 32.02 H new ATOM 0 HG23 VAL A 53 -1.354 14.088 -5.973 1.00 32.02 H new ATOM 857 N ARG A 54 -3.621 10.841 -3.547 1.00 30.05 N ATOM 858 CA ARG A 54 -4.103 9.806 -2.616 1.00 22.32 C ATOM 859 C ARG A 54 -5.129 8.880 -3.291 1.00 44.20 C ATOM 860 O ARG A 54 -5.133 7.666 -3.077 1.00 1.22 O ATOM 861 CB ARG A 54 -4.751 10.463 -1.389 1.00 72.42 C ATOM 862 CG ARG A 54 -5.193 9.472 -0.312 1.00 20.50 C ATOM 863 CD ARG A 54 -6.119 10.121 0.715 1.00 13.44 C ATOM 864 NE ARG A 54 -7.436 10.425 0.153 1.00 71.23 N ATOM 865 CZ ARG A 54 -8.141 11.489 0.442 1.00 15.14 C ATOM 866 NH1 ARG A 54 -7.701 12.378 1.276 1.00 32.33 N ATOM 867 NH2 ARG A 54 -9.299 11.658 -0.106 1.00 53.54 N ATOM 0 H ARG A 54 -3.619 11.783 -3.155 1.00 30.05 H new ATOM 0 HA ARG A 54 -3.243 9.210 -2.310 1.00 22.32 H new ATOM 0 HB2 ARG A 54 -4.044 11.168 -0.951 1.00 72.42 H new ATOM 0 HB3 ARG A 54 -5.617 11.040 -1.714 1.00 72.42 H new ATOM 0 HG2 ARG A 54 -5.704 8.631 -0.781 1.00 20.50 H new ATOM 0 HG3 ARG A 54 -4.315 9.070 0.194 1.00 20.50 H new ATOM 0 HD2 ARG A 54 -6.235 9.455 1.570 1.00 13.44 H new ATOM 0 HD3 ARG A 54 -5.663 11.039 1.085 1.00 13.44 H new ATOM 0 HE ARG A 54 -7.832 9.760 -0.511 1.00 71.23 H new ATOM 0 HH11 ARG A 54 -6.791 12.255 1.720 1.00 32.33 H new ATOM 0 HH12 ARG A 54 -8.265 13.201 1.489 1.00 32.33 H new ATOM 0 HH21 ARG A 54 -9.660 10.964 -0.760 1.00 53.54 H new ATOM 0 HH22 ARG A 54 -9.852 12.486 0.116 1.00 53.54 H new ATOM 881 N LYS A 55 -5.993 9.479 -4.108 1.00 51.24 N ATOM 882 CA LYS A 55 -7.017 8.744 -4.861 1.00 42.11 C ATOM 883 C LYS A 55 -6.399 7.591 -5.673 1.00 42.10 C ATOM 884 O LYS A 55 -6.869 6.453 -5.624 1.00 12.11 O ATOM 885 CB LYS A 55 -7.738 9.710 -5.811 1.00 22.34 C ATOM 886 CG LYS A 55 -8.285 10.961 -5.124 1.00 62.15 C ATOM 887 CD LYS A 55 -8.748 12.003 -6.138 1.00 12.23 C ATOM 888 CE LYS A 55 -9.223 13.287 -5.463 1.00 0.10 C ATOM 889 NZ LYS A 55 -10.466 13.084 -4.668 1.00 23.01 N ATOM 0 H LYS A 55 -6.006 10.486 -4.269 1.00 51.24 H new ATOM 0 HA LYS A 55 -7.723 8.316 -4.150 1.00 42.11 H new ATOM 0 HB2 LYS A 55 -7.048 10.012 -6.599 1.00 22.34 H new ATOM 0 HB3 LYS A 55 -8.561 9.183 -6.293 1.00 22.34 H new ATOM 0 HG2 LYS A 55 -9.119 10.686 -4.477 1.00 62.15 H new ATOM 0 HG3 LYS A 55 -7.514 11.392 -4.485 1.00 62.15 H new ATOM 0 HD2 LYS A 55 -7.930 12.234 -6.820 1.00 12.23 H new ATOM 0 HD3 LYS A 55 -9.557 11.589 -6.739 1.00 12.23 H new ATOM 0 HE2 LYS A 55 -8.435 13.664 -4.811 1.00 0.10 H new ATOM 0 HE3 LYS A 55 -9.401 14.049 -6.222 1.00 0.10 H new ATOM 0 HZ1 LYS A 55 -10.786 13.996 -4.285 1.00 23.01 H new ATOM 0 HZ2 LYS A 55 -11.207 12.685 -5.279 1.00 23.01 H new ATOM 0 HZ3 LYS A 55 -10.274 12.428 -3.884 1.00 23.01 H new ATOM 903 N GLU A 56 -5.336 7.900 -6.415 1.00 55.40 N ATOM 904 CA GLU A 56 -4.658 6.908 -7.255 1.00 23.05 C ATOM 905 C GLU A 56 -3.786 5.960 -6.417 1.00 55.15 C ATOM 906 O GLU A 56 -3.668 4.776 -6.730 1.00 54.43 O ATOM 907 CB GLU A 56 -3.811 7.610 -8.324 1.00 43.43 C ATOM 908 CG GLU A 56 -4.615 8.566 -9.197 1.00 72.34 C ATOM 909 CD GLU A 56 -3.795 9.165 -10.326 1.00 52.41 C ATOM 910 OE1 GLU A 56 -3.032 10.119 -10.073 1.00 24.35 O ATOM 911 OE2 GLU A 56 -3.914 8.685 -11.475 1.00 13.03 O ATOM 0 H GLU A 56 -4.923 8.832 -6.453 1.00 55.40 H new ATOM 0 HA GLU A 56 -5.423 6.306 -7.745 1.00 23.05 H new ATOM 0 HB2 GLU A 56 -3.008 8.162 -7.836 1.00 43.43 H new ATOM 0 HB3 GLU A 56 -3.342 6.858 -8.958 1.00 43.43 H new ATOM 0 HG2 GLU A 56 -5.469 8.035 -9.617 1.00 72.34 H new ATOM 0 HG3 GLU A 56 -5.012 9.370 -8.577 1.00 72.34 H new ATOM 918 N LEU A 57 -3.183 6.485 -5.349 1.00 42.34 N ATOM 919 CA LEU A 57 -2.380 5.660 -4.432 1.00 2.11 C ATOM 920 C LEU A 57 -3.236 4.561 -3.778 1.00 12.11 C ATOM 921 O LEU A 57 -2.754 3.463 -3.499 1.00 70.22 O ATOM 922 CB LEU A 57 -1.726 6.535 -3.352 1.00 72.54 C ATOM 923 CG LEU A 57 -0.704 7.566 -3.867 1.00 35.24 C ATOM 924 CD1 LEU A 57 -0.151 8.405 -2.715 1.00 13.43 C ATOM 925 CD2 LEU A 57 0.429 6.878 -4.633 1.00 53.30 C ATOM 0 H LEU A 57 -3.232 7.472 -5.095 1.00 42.34 H new ATOM 0 HA LEU A 57 -1.597 5.178 -5.017 1.00 2.11 H new ATOM 0 HB2 LEU A 57 -2.511 7.065 -2.813 1.00 72.54 H new ATOM 0 HB3 LEU A 57 -1.229 5.884 -2.633 1.00 72.54 H new ATOM 0 HG LEU A 57 -1.219 8.235 -4.557 1.00 35.24 H new ATOM 0 HD11 LEU A 57 0.569 9.126 -3.103 1.00 13.43 H new ATOM 0 HD12 LEU A 57 -0.968 8.935 -2.226 1.00 13.43 H new ATOM 0 HD13 LEU A 57 0.341 7.753 -1.994 1.00 13.43 H new ATOM 0 HD21 LEU A 57 1.137 7.628 -4.986 1.00 53.30 H new ATOM 0 HD22 LEU A 57 0.941 6.177 -3.973 1.00 53.30 H new ATOM 0 HD23 LEU A 57 0.017 6.338 -5.486 1.00 53.30 H new ATOM 937 N ALA A 58 -4.507 4.869 -3.536 1.00 24.12 N ATOM 938 CA ALA A 58 -5.459 3.875 -3.035 1.00 4.55 C ATOM 939 C ALA A 58 -5.716 2.784 -4.088 1.00 63.24 C ATOM 940 O ALA A 58 -5.823 1.601 -3.763 1.00 13.41 O ATOM 941 CB ALA A 58 -6.767 4.548 -2.628 1.00 13.02 C ATOM 0 H ALA A 58 -4.904 5.798 -3.678 1.00 24.12 H new ATOM 0 HA ALA A 58 -5.026 3.400 -2.155 1.00 4.55 H new ATOM 0 HB1 ALA A 58 -7.464 3.796 -2.258 1.00 13.02 H new ATOM 0 HB2 ALA A 58 -6.571 5.279 -1.843 1.00 13.02 H new ATOM 0 HB3 ALA A 58 -7.202 5.051 -3.492 1.00 13.02 H new ATOM 947 N LYS A 59 -5.799 3.192 -5.355 1.00 61.42 N ATOM 948 CA LYS A 59 -5.986 2.247 -6.464 1.00 24.23 C ATOM 949 C LYS A 59 -4.720 1.409 -6.715 1.00 72.53 C ATOM 950 O LYS A 59 -4.803 0.266 -7.170 1.00 21.23 O ATOM 951 CB LYS A 59 -6.398 2.990 -7.744 1.00 55.20 C ATOM 952 CG LYS A 59 -6.532 2.077 -8.963 1.00 4.25 C ATOM 953 CD LYS A 59 -7.260 2.754 -10.120 1.00 3.52 C ATOM 954 CE LYS A 59 -8.704 3.083 -9.755 1.00 24.01 C ATOM 955 NZ LYS A 59 -9.449 1.881 -9.292 1.00 2.13 N ATOM 0 H LYS A 59 -5.740 4.169 -5.642 1.00 61.42 H new ATOM 0 HA LYS A 59 -6.786 1.563 -6.181 1.00 24.23 H new ATOM 0 HB2 LYS A 59 -7.349 3.495 -7.572 1.00 55.20 H new ATOM 0 HB3 LYS A 59 -5.661 3.764 -7.959 1.00 55.20 H new ATOM 0 HG2 LYS A 59 -5.540 1.768 -9.293 1.00 4.25 H new ATOM 0 HG3 LYS A 59 -7.070 1.172 -8.679 1.00 4.25 H new ATOM 0 HD2 LYS A 59 -6.736 3.669 -10.396 1.00 3.52 H new ATOM 0 HD3 LYS A 59 -7.244 2.102 -10.993 1.00 3.52 H new ATOM 0 HE2 LYS A 59 -8.716 3.841 -8.972 1.00 24.01 H new ATOM 0 HE3 LYS A 59 -9.209 3.511 -10.621 1.00 24.01 H new ATOM 0 HZ1 LYS A 59 -10.468 2.087 -9.281 1.00 2.13 H new ATOM 0 HZ2 LYS A 59 -9.263 1.087 -9.938 1.00 2.13 H new ATOM 0 HZ3 LYS A 59 -9.137 1.627 -8.333 1.00 2.13 H new ATOM 969 N GLU A 60 -3.550 1.977 -6.418 1.00 3.23 N ATOM 970 CA GLU A 60 -2.289 1.231 -6.496 1.00 21.54 C ATOM 971 C GLU A 60 -2.366 -0.044 -5.650 1.00 3.22 C ATOM 972 O GLU A 60 -1.871 -1.099 -6.049 1.00 71.21 O ATOM 973 CB GLU A 60 -1.116 2.111 -6.036 1.00 61.14 C ATOM 974 CG GLU A 60 -0.748 3.216 -7.022 1.00 43.54 C ATOM 975 CD GLU A 60 -0.149 2.675 -8.312 1.00 31.02 C ATOM 976 OE1 GLU A 60 -0.905 2.139 -9.152 1.00 12.44 O ATOM 977 OE2 GLU A 60 1.081 2.782 -8.495 1.00 30.32 O ATOM 0 H GLU A 60 -3.447 2.948 -6.122 1.00 3.23 H new ATOM 0 HA GLU A 60 -2.121 0.945 -7.534 1.00 21.54 H new ATOM 0 HB2 GLU A 60 -1.368 2.563 -5.077 1.00 61.14 H new ATOM 0 HB3 GLU A 60 -0.243 1.479 -5.871 1.00 61.14 H new ATOM 0 HG2 GLU A 60 -1.638 3.800 -7.256 1.00 43.54 H new ATOM 0 HG3 GLU A 60 -0.036 3.895 -6.552 1.00 43.54 H new ATOM 984 N ALA A 61 -3.019 0.058 -4.493 1.00 1.40 N ATOM 985 CA ALA A 61 -3.281 -1.103 -3.639 1.00 73.40 C ATOM 986 C ALA A 61 -4.084 -2.175 -4.395 1.00 65.14 C ATOM 987 O ALA A 61 -3.775 -3.368 -4.325 1.00 75.35 O ATOM 988 CB ALA A 61 -4.029 -0.665 -2.386 1.00 54.54 C ATOM 0 H ALA A 61 -3.379 0.938 -4.123 1.00 1.40 H new ATOM 0 HA ALA A 61 -2.326 -1.542 -3.350 1.00 73.40 H new ATOM 0 HB1 ALA A 61 -4.221 -1.533 -1.755 1.00 54.54 H new ATOM 0 HB2 ALA A 61 -3.426 0.057 -1.836 1.00 54.54 H new ATOM 0 HB3 ALA A 61 -4.976 -0.206 -2.669 1.00 54.54 H new ATOM 994 N GLU A 62 -5.109 -1.737 -5.127 1.00 45.32 N ATOM 995 CA GLU A 62 -5.936 -2.647 -5.931 1.00 13.12 C ATOM 996 C GLU A 62 -5.112 -3.305 -7.045 1.00 75.53 C ATOM 997 O GLU A 62 -5.264 -4.497 -7.326 1.00 10.40 O ATOM 998 CB GLU A 62 -7.119 -1.899 -6.559 1.00 52.23 C ATOM 999 CG GLU A 62 -7.997 -1.147 -5.564 1.00 32.15 C ATOM 1000 CD GLU A 62 -9.250 -0.586 -6.220 1.00 5.44 C ATOM 1001 OE1 GLU A 62 -9.149 0.433 -6.939 1.00 4.21 O ATOM 1002 OE2 GLU A 62 -10.332 -1.189 -6.052 1.00 60.34 O ATOM 0 H GLU A 62 -5.389 -0.758 -5.182 1.00 45.32 H new ATOM 0 HA GLU A 62 -6.311 -3.420 -5.260 1.00 13.12 H new ATOM 0 HB2 GLU A 62 -6.735 -1.190 -7.293 1.00 52.23 H new ATOM 0 HB3 GLU A 62 -7.738 -2.614 -7.101 1.00 52.23 H new ATOM 0 HG2 GLU A 62 -8.282 -1.817 -4.753 1.00 32.15 H new ATOM 0 HG3 GLU A 62 -7.425 -0.333 -5.119 1.00 32.15 H new ATOM 1009 N ARG A 63 -4.251 -2.514 -7.686 1.00 43.45 N ATOM 1010 CA ARG A 63 -3.374 -3.016 -8.748 1.00 13.40 C ATOM 1011 C ARG A 63 -2.398 -4.068 -8.200 1.00 71.31 C ATOM 1012 O ARG A 63 -2.189 -5.116 -8.809 1.00 64.13 O ATOM 1013 CB ARG A 63 -2.592 -1.860 -9.394 1.00 50.03 C ATOM 1014 CG ARG A 63 -1.661 -2.306 -10.519 1.00 62.23 C ATOM 1015 CD ARG A 63 -0.940 -1.133 -11.179 1.00 3.30 C ATOM 1016 NE ARG A 63 -0.102 -0.385 -10.240 1.00 51.41 N ATOM 1017 CZ ARG A 63 1.193 -0.537 -10.122 1.00 63.12 C ATOM 1018 NH1 ARG A 63 1.820 -1.466 -10.772 1.00 61.23 N ATOM 1019 NH2 ARG A 63 1.864 0.237 -9.336 1.00 60.04 N ATOM 0 H ARG A 63 -4.141 -1.519 -7.488 1.00 43.45 H new ATOM 0 HA ARG A 63 -4.000 -3.486 -9.507 1.00 13.40 H new ATOM 0 HB2 ARG A 63 -3.299 -1.129 -9.787 1.00 50.03 H new ATOM 0 HB3 ARG A 63 -2.005 -1.356 -8.626 1.00 50.03 H new ATOM 0 HG2 ARG A 63 -0.924 -3.004 -10.122 1.00 62.23 H new ATOM 0 HG3 ARG A 63 -2.237 -2.844 -11.272 1.00 62.23 H new ATOM 0 HD2 ARG A 63 -0.321 -1.505 -11.995 1.00 3.30 H new ATOM 0 HD3 ARG A 63 -1.676 -0.460 -11.618 1.00 3.30 H new ATOM 0 HE ARG A 63 -0.558 0.300 -9.637 1.00 51.41 H new ATOM 0 HH11 ARG A 63 1.304 -2.094 -11.388 1.00 61.23 H new ATOM 0 HH12 ARG A 63 2.829 -1.569 -10.667 1.00 61.23 H new ATOM 0 HH21 ARG A 63 1.385 0.966 -8.808 1.00 60.04 H new ATOM 0 HH22 ARG A 63 2.873 0.119 -9.244 1.00 60.04 H new ATOM 1033 N LEU A 64 -1.815 -3.777 -7.041 1.00 54.40 N ATOM 1034 CA LEU A 64 -0.888 -4.702 -6.379 1.00 34.13 C ATOM 1035 C LEU A 64 -1.582 -6.010 -5.984 1.00 3.32 C ATOM 1036 O LEU A 64 -0.991 -7.091 -6.062 1.00 13.23 O ATOM 1037 CB LEU A 64 -0.277 -4.025 -5.153 1.00 13.10 C ATOM 1038 CG LEU A 64 0.619 -2.824 -5.479 1.00 43.20 C ATOM 1039 CD1 LEU A 64 1.077 -2.118 -4.210 1.00 62.54 C ATOM 1040 CD2 LEU A 64 1.815 -3.270 -6.311 1.00 41.32 C ATOM 0 H LEU A 64 -1.966 -2.904 -6.535 1.00 54.40 H new ATOM 0 HA LEU A 64 -0.096 -4.956 -7.083 1.00 34.13 H new ATOM 0 HB2 LEU A 64 -1.081 -3.696 -4.495 1.00 13.10 H new ATOM 0 HB3 LEU A 64 0.307 -4.760 -4.599 1.00 13.10 H new ATOM 0 HG LEU A 64 0.035 -2.111 -6.061 1.00 43.20 H new ATOM 0 HD11 LEU A 64 1.711 -1.271 -4.473 1.00 62.54 H new ATOM 0 HD12 LEU A 64 0.207 -1.763 -3.657 1.00 62.54 H new ATOM 0 HD13 LEU A 64 1.641 -2.814 -3.590 1.00 62.54 H new ATOM 0 HD21 LEU A 64 2.443 -2.408 -6.536 1.00 41.32 H new ATOM 0 HD22 LEU A 64 2.394 -4.005 -5.751 1.00 41.32 H new ATOM 0 HD23 LEU A 64 1.465 -3.716 -7.242 1.00 41.32 H new ATOM 1052 N ALA A 65 -2.838 -5.911 -5.556 1.00 34.11 N ATOM 1053 CA ALA A 65 -3.651 -7.095 -5.288 1.00 52.13 C ATOM 1054 C ALA A 65 -3.766 -7.970 -6.544 1.00 70.30 C ATOM 1055 O ALA A 65 -3.520 -9.175 -6.506 1.00 32.33 O ATOM 1056 CB ALA A 65 -5.035 -6.690 -4.795 1.00 4.40 C ATOM 0 H ALA A 65 -3.315 -5.025 -5.387 1.00 34.11 H new ATOM 0 HA ALA A 65 -3.160 -7.677 -4.508 1.00 52.13 H new ATOM 0 HB1 ALA A 65 -5.628 -7.584 -4.600 1.00 4.40 H new ATOM 0 HB2 ALA A 65 -4.939 -6.111 -3.877 1.00 4.40 H new ATOM 0 HB3 ALA A 65 -5.530 -6.085 -5.555 1.00 4.40 H new ATOM 1062 N LYS A 66 -4.110 -7.340 -7.666 1.00 11.42 N ATOM 1063 CA LYS A 66 -4.258 -8.041 -8.947 1.00 63.31 C ATOM 1064 C LYS A 66 -2.899 -8.515 -9.497 1.00 51.43 C ATOM 1065 O LYS A 66 -2.828 -9.486 -10.254 1.00 51.55 O ATOM 1066 CB LYS A 66 -4.942 -7.123 -9.969 1.00 22.14 C ATOM 1067 CG LYS A 66 -6.313 -6.618 -9.524 1.00 21.11 C ATOM 1068 CD LYS A 66 -6.971 -5.753 -10.597 1.00 4.35 C ATOM 1069 CE LYS A 66 -8.320 -5.211 -10.142 1.00 20.44 C ATOM 1070 NZ LYS A 66 -8.189 -4.282 -8.990 1.00 2.34 N ATOM 0 H LYS A 66 -4.293 -6.338 -7.717 1.00 11.42 H new ATOM 0 HA LYS A 66 -4.875 -8.923 -8.775 1.00 63.31 H new ATOM 0 HB2 LYS A 66 -4.296 -6.267 -10.164 1.00 22.14 H new ATOM 0 HB3 LYS A 66 -5.051 -7.661 -10.911 1.00 22.14 H new ATOM 0 HG2 LYS A 66 -6.957 -7.467 -9.295 1.00 21.11 H new ATOM 0 HG3 LYS A 66 -6.208 -6.041 -8.605 1.00 21.11 H new ATOM 0 HD2 LYS A 66 -6.312 -4.922 -10.848 1.00 4.35 H new ATOM 0 HD3 LYS A 66 -7.104 -6.340 -11.506 1.00 4.35 H new ATOM 0 HE2 LYS A 66 -8.801 -4.693 -10.972 1.00 20.44 H new ATOM 0 HE3 LYS A 66 -8.969 -6.042 -9.865 1.00 20.44 H new ATOM 0 HZ1 LYS A 66 -9.095 -3.796 -8.832 1.00 2.34 H new ATOM 0 HZ2 LYS A 66 -7.931 -4.820 -8.138 1.00 2.34 H new ATOM 0 HZ3 LYS A 66 -7.450 -3.579 -9.193 1.00 2.34 H new ATOM 1084 N GLU A 67 -1.828 -7.822 -9.105 1.00 61.44 N ATOM 1085 CA GLU A 67 -0.462 -8.154 -9.539 1.00 13.15 C ATOM 1086 C GLU A 67 -0.085 -9.598 -9.152 1.00 41.22 C ATOM 1087 O GLU A 67 0.338 -10.394 -9.994 1.00 4.51 O ATOM 1088 CB GLU A 67 0.530 -7.155 -8.913 1.00 43.11 C ATOM 1089 CG GLU A 67 1.986 -7.336 -9.340 1.00 3.40 C ATOM 1090 CD GLU A 67 2.234 -6.977 -10.799 1.00 21.14 C ATOM 1091 OE1 GLU A 67 2.381 -5.776 -11.106 1.00 33.01 O ATOM 1092 OE2 GLU A 67 2.304 -7.892 -11.643 1.00 23.23 O ATOM 0 H GLU A 67 -1.878 -7.017 -8.480 1.00 61.44 H new ATOM 0 HA GLU A 67 -0.416 -8.083 -10.626 1.00 13.15 H new ATOM 0 HB2 GLU A 67 0.215 -6.144 -9.170 1.00 43.11 H new ATOM 0 HB3 GLU A 67 0.472 -7.240 -7.828 1.00 43.11 H new ATOM 0 HG2 GLU A 67 2.623 -6.717 -8.707 1.00 3.40 H new ATOM 0 HG3 GLU A 67 2.281 -8.372 -9.173 1.00 3.40 H new ATOM 1099 N PHE A 68 -0.245 -9.930 -7.869 1.00 44.10 N ATOM 1100 CA PHE A 68 0.034 -11.288 -7.372 1.00 65.50 C ATOM 1101 C PHE A 68 -1.249 -12.028 -6.965 1.00 33.33 C ATOM 1102 O PHE A 68 -1.191 -13.040 -6.267 1.00 22.24 O ATOM 1103 CB PHE A 68 1.011 -11.235 -6.187 1.00 24.53 C ATOM 1104 CG PHE A 68 2.447 -11.033 -6.603 1.00 53.01 C ATOM 1105 CD1 PHE A 68 2.914 -9.776 -6.956 1.00 31.33 C ATOM 1106 CD2 PHE A 68 3.326 -12.107 -6.649 1.00 73.24 C ATOM 1107 CE1 PHE A 68 4.228 -9.596 -7.343 1.00 42.54 C ATOM 1108 CE2 PHE A 68 4.638 -11.929 -7.035 1.00 2.40 C ATOM 1109 CZ PHE A 68 5.091 -10.673 -7.383 1.00 34.53 C ATOM 0 H PHE A 68 -0.566 -9.280 -7.152 1.00 44.10 H new ATOM 0 HA PHE A 68 0.490 -11.845 -8.191 1.00 65.50 H new ATOM 0 HB2 PHE A 68 0.717 -10.426 -5.519 1.00 24.53 H new ATOM 0 HB3 PHE A 68 0.932 -12.162 -5.619 1.00 24.53 H new ATOM 0 HD1 PHE A 68 2.244 -8.929 -6.928 1.00 31.33 H new ATOM 0 HD2 PHE A 68 2.978 -13.093 -6.379 1.00 73.24 H new ATOM 0 HE1 PHE A 68 4.580 -8.612 -7.614 1.00 42.54 H new ATOM 0 HE2 PHE A 68 5.311 -12.773 -7.065 1.00 2.40 H new ATOM 0 HZ PHE A 68 6.118 -10.533 -7.686 1.00 34.53 H new ATOM 1119 N ASN A 69 -2.401 -11.527 -7.416 1.00 74.04 N ATOM 1120 CA ASN A 69 -3.704 -12.166 -7.149 1.00 53.02 C ATOM 1121 C ASN A 69 -4.005 -12.250 -5.640 1.00 1.02 C ATOM 1122 O ASN A 69 -4.804 -13.079 -5.199 1.00 1.04 O ATOM 1123 CB ASN A 69 -3.749 -13.568 -7.774 1.00 35.22 C ATOM 1124 CG ASN A 69 -3.375 -13.556 -9.244 1.00 34.41 C ATOM 1125 OD1 ASN A 69 -4.216 -13.363 -10.114 1.00 3.54 O ATOM 1126 ND2 ASN A 69 -2.108 -13.770 -9.532 1.00 53.42 N ATOM 0 H ASN A 69 -2.464 -10.674 -7.972 1.00 74.04 H new ATOM 0 HA ASN A 69 -4.472 -11.542 -7.606 1.00 53.02 H new ATOM 0 HB2 ASN A 69 -3.068 -14.226 -7.234 1.00 35.22 H new ATOM 0 HB3 ASN A 69 -4.751 -13.982 -7.660 1.00 35.22 H new ATOM 0 HD21 ASN A 69 -1.800 -13.779 -10.504 1.00 53.42 H new ATOM 0 HD22 ASN A 69 -1.434 -13.927 -8.783 1.00 53.42 H new ATOM 1133 N ILE A 70 -3.383 -11.367 -4.862 1.00 21.40 N ATOM 1134 CA ILE A 70 -3.518 -11.379 -3.399 1.00 61.40 C ATOM 1135 C ILE A 70 -4.677 -10.485 -2.921 1.00 5.13 C ATOM 1136 O ILE A 70 -5.368 -9.852 -3.722 1.00 14.55 O ATOM 1137 CB ILE A 70 -2.204 -10.923 -2.712 1.00 0.32 C ATOM 1138 CG1 ILE A 70 -1.805 -9.514 -3.189 1.00 2.11 C ATOM 1139 CG2 ILE A 70 -1.083 -11.930 -2.972 1.00 45.00 C ATOM 1140 CD1 ILE A 70 -0.548 -8.971 -2.539 1.00 14.03 C ATOM 0 H ILE A 70 -2.776 -10.629 -5.219 1.00 21.40 H new ATOM 0 HA ILE A 70 -3.735 -12.409 -3.116 1.00 61.40 H new ATOM 0 HB ILE A 70 -2.373 -10.879 -1.636 1.00 0.32 H new ATOM 0 HG12 ILE A 70 -1.662 -9.535 -4.269 1.00 2.11 H new ATOM 0 HG13 ILE A 70 -2.629 -8.828 -2.990 1.00 2.11 H new ATOM 0 HG21 ILE A 70 -0.170 -11.592 -2.482 1.00 45.00 H new ATOM 0 HG22 ILE A 70 -1.369 -12.904 -2.575 1.00 45.00 H new ATOM 0 HG23 ILE A 70 -0.910 -12.013 -4.045 1.00 45.00 H new ATOM 0 HD11 ILE A 70 -0.337 -7.976 -2.930 1.00 14.03 H new ATOM 0 HD12 ILE A 70 -0.692 -8.914 -1.460 1.00 14.03 H new ATOM 0 HD13 ILE A 70 0.290 -9.632 -2.759 1.00 14.03 H new ATOM 1152 N THR A 71 -4.886 -10.446 -1.607 1.00 34.41 N ATOM 1153 CA THR A 71 -5.962 -9.642 -1.005 1.00 44.03 C ATOM 1154 C THR A 71 -5.415 -8.334 -0.415 1.00 71.31 C ATOM 1155 O THR A 71 -4.268 -8.281 0.029 1.00 14.32 O ATOM 1156 CB THR A 71 -6.681 -10.438 0.114 1.00 33.52 C ATOM 1157 OG1 THR A 71 -7.236 -11.650 -0.424 1.00 2.35 O ATOM 1158 CG2 THR A 71 -7.791 -9.616 0.767 1.00 4.13 C ATOM 0 H THR A 71 -4.324 -10.963 -0.930 1.00 34.41 H new ATOM 0 HA THR A 71 -6.671 -9.405 -1.798 1.00 44.03 H new ATOM 0 HB THR A 71 -5.940 -10.676 0.877 1.00 33.52 H new ATOM 0 HG1 THR A 71 -7.687 -12.148 0.289 1.00 2.35 H new ATOM 0 HG21 THR A 71 -8.272 -10.208 1.546 1.00 4.13 H new ATOM 0 HG22 THR A 71 -7.365 -8.714 1.207 1.00 4.13 H new ATOM 0 HG23 THR A 71 -8.529 -9.339 0.014 1.00 4.13 H new ATOM 1166 N VAL A 72 -6.231 -7.276 -0.404 1.00 33.24 N ATOM 1167 CA VAL A 72 -5.808 -5.992 0.170 1.00 62.01 C ATOM 1168 C VAL A 72 -6.962 -5.245 0.865 1.00 65.33 C ATOM 1169 O VAL A 72 -8.069 -5.136 0.334 1.00 32.11 O ATOM 1170 CB VAL A 72 -5.178 -5.070 -0.906 1.00 15.24 C ATOM 1171 CG1 VAL A 72 -6.182 -4.736 -2.010 1.00 61.24 C ATOM 1172 CG2 VAL A 72 -4.623 -3.796 -0.266 1.00 54.24 C ATOM 0 H VAL A 72 -7.179 -7.280 -0.781 1.00 33.24 H new ATOM 0 HA VAL A 72 -5.058 -6.236 0.923 1.00 62.01 H new ATOM 0 HB VAL A 72 -4.351 -5.610 -1.367 1.00 15.24 H new ATOM 0 HG11 VAL A 72 -5.709 -4.088 -2.748 1.00 61.24 H new ATOM 0 HG12 VAL A 72 -6.512 -5.656 -2.493 1.00 61.24 H new ATOM 0 HG13 VAL A 72 -7.042 -4.225 -1.577 1.00 61.24 H new ATOM 0 HG21 VAL A 72 -4.185 -3.162 -1.037 1.00 54.24 H new ATOM 0 HG22 VAL A 72 -5.430 -3.258 0.231 1.00 54.24 H new ATOM 0 HG23 VAL A 72 -3.858 -4.059 0.465 1.00 54.24 H new ATOM 1182 N THR A 73 -6.685 -4.741 2.067 1.00 20.44 N ATOM 1183 CA THR A 73 -7.621 -3.887 2.816 1.00 20.24 C ATOM 1184 C THR A 73 -6.889 -2.655 3.364 1.00 53.21 C ATOM 1185 O THR A 73 -5.848 -2.781 4.007 1.00 54.31 O ATOM 1186 CB THR A 73 -8.275 -4.643 4.004 1.00 3.02 C ATOM 1187 OG1 THR A 73 -7.273 -5.049 4.950 1.00 65.05 O ATOM 1188 CG2 THR A 73 -9.047 -5.869 3.525 1.00 22.21 C ATOM 0 H THR A 73 -5.805 -4.911 2.554 1.00 20.44 H new ATOM 0 HA THR A 73 -8.405 -3.588 2.121 1.00 20.24 H new ATOM 0 HB THR A 73 -8.975 -3.959 4.484 1.00 3.02 H new ATOM 0 HG1 THR A 73 -6.504 -4.445 4.891 1.00 65.05 H new ATOM 0 HG21 THR A 73 -9.493 -6.376 4.381 1.00 22.21 H new ATOM 0 HG22 THR A 73 -9.834 -5.558 2.838 1.00 22.21 H new ATOM 0 HG23 THR A 73 -8.367 -6.550 3.014 1.00 22.21 H new ATOM 1196 N TYR A 74 -7.422 -1.463 3.111 1.00 25.34 N ATOM 1197 CA TYR A 74 -6.746 -0.221 3.518 1.00 72.33 C ATOM 1198 C TYR A 74 -7.665 0.719 4.318 1.00 5.13 C ATOM 1199 O TYR A 74 -8.889 0.698 4.166 1.00 33.20 O ATOM 1200 CB TYR A 74 -6.195 0.517 2.284 1.00 71.13 C ATOM 1201 CG TYR A 74 -7.252 0.919 1.267 1.00 44.12 C ATOM 1202 CD1 TYR A 74 -7.613 0.064 0.230 1.00 23.24 C ATOM 1203 CD2 TYR A 74 -7.892 2.154 1.349 1.00 33.30 C ATOM 1204 CE1 TYR A 74 -8.573 0.429 -0.695 1.00 31.21 C ATOM 1205 CE2 TYR A 74 -8.853 2.523 0.428 1.00 64.12 C ATOM 1206 CZ TYR A 74 -9.193 1.657 -0.590 1.00 42.43 C ATOM 1207 OH TYR A 74 -10.151 2.026 -1.508 1.00 31.52 O ATOM 0 H TYR A 74 -8.311 -1.324 2.631 1.00 25.34 H new ATOM 0 HA TYR A 74 -5.925 -0.510 4.174 1.00 72.33 H new ATOM 0 HB2 TYR A 74 -5.669 1.412 2.616 1.00 71.13 H new ATOM 0 HB3 TYR A 74 -5.460 -0.121 1.793 1.00 71.13 H new ATOM 0 HD1 TYR A 74 -7.135 -0.901 0.147 1.00 23.24 H new ATOM 0 HD2 TYR A 74 -7.632 2.834 2.146 1.00 33.30 H new ATOM 0 HE1 TYR A 74 -8.837 -0.245 -1.497 1.00 31.21 H new ATOM 0 HE2 TYR A 74 -9.336 3.486 0.505 1.00 64.12 H new ATOM 0 HH TYR A 74 -10.487 2.920 -1.288 1.00 31.52 H new ATOM 1217 N THR A 75 -7.055 1.542 5.168 1.00 13.41 N ATOM 1218 CA THR A 75 -7.776 2.568 5.935 1.00 41.00 C ATOM 1219 C THR A 75 -7.126 3.944 5.746 1.00 24.10 C ATOM 1220 O THR A 75 -5.907 4.084 5.837 1.00 22.53 O ATOM 1221 CB THR A 75 -7.817 2.227 7.448 1.00 13.50 C ATOM 1222 OG1 THR A 75 -8.508 0.983 7.655 1.00 31.21 O ATOM 1223 CG2 THR A 75 -8.509 3.326 8.254 1.00 44.43 C ATOM 0 H THR A 75 -6.051 1.521 5.348 1.00 13.41 H new ATOM 0 HA THR A 75 -8.797 2.592 5.555 1.00 41.00 H new ATOM 0 HB THR A 75 -6.787 2.143 7.793 1.00 13.50 H new ATOM 0 HG1 THR A 75 -8.527 0.775 8.612 1.00 31.21 H new ATOM 0 HG21 THR A 75 -8.519 3.052 9.309 1.00 44.43 H new ATOM 0 HG22 THR A 75 -7.969 4.265 8.128 1.00 44.43 H new ATOM 0 HG23 THR A 75 -9.533 3.446 7.901 1.00 44.43 H new ATOM 1231 N ILE A 76 -7.938 4.961 5.472 1.00 21.42 N ATOM 1232 CA ILE A 76 -7.424 6.321 5.259 1.00 60.50 C ATOM 1233 C ILE A 76 -8.036 7.318 6.254 1.00 24.11 C ATOM 1234 O ILE A 76 -9.225 7.646 6.181 1.00 64.43 O ATOM 1235 CB ILE A 76 -7.685 6.809 3.811 1.00 32.41 C ATOM 1236 CG1 ILE A 76 -7.005 5.864 2.802 1.00 72.15 C ATOM 1237 CG2 ILE A 76 -7.190 8.245 3.627 1.00 71.43 C ATOM 1238 CD1 ILE A 76 -7.106 6.319 1.361 1.00 22.23 C ATOM 0 H ILE A 76 -8.951 4.876 5.391 1.00 21.42 H new ATOM 0 HA ILE A 76 -6.348 6.276 5.425 1.00 60.50 H new ATOM 0 HB ILE A 76 -8.759 6.797 3.628 1.00 32.41 H new ATOM 0 HG12 ILE A 76 -5.952 5.764 3.067 1.00 72.15 H new ATOM 0 HG13 ILE A 76 -7.451 4.874 2.891 1.00 72.15 H new ATOM 0 HG21 ILE A 76 -7.383 8.568 2.604 1.00 71.43 H new ATOM 0 HG22 ILE A 76 -7.715 8.902 4.320 1.00 71.43 H new ATOM 0 HG23 ILE A 76 -6.119 8.289 3.826 1.00 71.43 H new ATOM 0 HD11 ILE A 76 -6.602 5.599 0.716 1.00 22.23 H new ATOM 0 HD12 ILE A 76 -8.155 6.391 1.075 1.00 22.23 H new ATOM 0 HD13 ILE A 76 -6.633 7.295 1.254 1.00 22.23 H new ATOM 1250 N ARG A 77 -7.211 7.795 7.180 1.00 12.45 N ATOM 1251 CA ARG A 77 -7.657 8.734 8.210 1.00 2.03 C ATOM 1252 C ARG A 77 -7.409 10.190 7.785 1.00 32.32 C ATOM 1253 O ARG A 77 -6.408 10.503 7.135 1.00 15.12 O ATOM 1254 CB ARG A 77 -6.940 8.442 9.535 1.00 31.52 C ATOM 1255 CG ARG A 77 -5.430 8.673 9.493 1.00 3.34 C ATOM 1256 CD ARG A 77 -4.759 8.253 10.796 1.00 72.32 C ATOM 1257 NE ARG A 77 -5.350 8.913 11.962 1.00 23.53 N ATOM 1258 CZ ARG A 77 -6.000 8.285 12.905 1.00 63.51 C ATOM 1259 NH1 ARG A 77 -6.169 7.002 12.843 1.00 74.32 N ATOM 1260 NH2 ARG A 77 -6.490 8.945 13.905 1.00 23.35 N ATOM 0 H ARG A 77 -6.224 7.547 7.240 1.00 12.45 H new ATOM 0 HA ARG A 77 -8.730 8.601 8.345 1.00 2.03 H new ATOM 0 HB2 ARG A 77 -7.371 9.070 10.315 1.00 31.52 H new ATOM 0 HB3 ARG A 77 -7.130 7.407 9.818 1.00 31.52 H new ATOM 0 HG2 ARG A 77 -4.999 8.112 8.664 1.00 3.34 H new ATOM 0 HG3 ARG A 77 -5.228 9.727 9.303 1.00 3.34 H new ATOM 0 HD2 ARG A 77 -4.841 7.172 10.913 1.00 72.32 H new ATOM 0 HD3 ARG A 77 -3.696 8.489 10.747 1.00 72.32 H new ATOM 0 HE ARG A 77 -5.248 9.925 12.043 1.00 23.53 H new ATOM 0 HH11 ARG A 77 -5.793 6.476 12.054 1.00 74.32 H new ATOM 0 HH12 ARG A 77 -6.678 6.518 13.583 1.00 74.32 H new ATOM 0 HH21 ARG A 77 -6.369 9.956 13.957 1.00 23.35 H new ATOM 0 HH22 ARG A 77 -6.997 8.454 14.641 1.00 23.35 H new