USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 709 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 177:sc= -5.2! (180deg=-5.22!) USER MOD Single : A 1 MET N :NH3+ 145:sc= 0.0146 (180deg=0) USER MOD Single : A 3 MET CE :methyl -128:sc= -1.41 (180deg=-3.92!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 MET CE :methyl -155:sc= -1.17 (180deg=-2.3) USER MOD Single : A 25 GLN : amide:sc= -0.387 K(o=-0.39,f=-0.91) USER MOD Single : A 28 LYS NZ :NH3+ 142:sc= -2.21! (180deg=-4.69!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.147 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -0.0073 X(o=-0.0073,f=0) USER MOD Single : A 47 THR OG1 : rot -108:sc= 0.628 USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 LYS NZ :NH3+ -136:sc= -0.823 (180deg=-2.67!) USER MOD Single : A 59 LYS NZ :NH3+ -147:sc= 0.522 (180deg=-0.448) USER MOD Single : A 66 LYS NZ :NH3+ 168:sc= -0.0033 (180deg=-0.135) USER MOD Single : A 69 ASN : amide:sc= -0.372 X(o=-0.37,f=-0.085) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot -120:sc= -1.02 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 HIS : +bothHN:sc= -0.632 K(o=-0.63,f=-3.5!) USER MOD Single : A 81 HIS :FLIP no HD1:sc= -0.352 F(o=-1.8!,f=-0.35) USER MOD Single : A 82 HIS : no HD1:sc= -0.0692 X(o=-0.069,f=-0.069) USER MOD Single : A 83 HIS : no HD1:sc= -0.171 X(o=-0.17,f=-0.17) USER MOD Single : A 84 HIS : no HD1:sc= -0.409 X(o=-0.41,f=-0.33) USER MOD Single : A 85 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.016 14.429 6.114 1.00 75.54 N ATOM 2 CA MET A 1 -2.880 13.245 5.851 1.00 34.13 C ATOM 3 C MET A 1 -2.069 11.939 5.923 1.00 64.12 C ATOM 4 O MET A 1 -0.885 11.913 5.579 1.00 33.32 O ATOM 5 CB MET A 1 -3.537 13.373 4.469 1.00 43.42 C ATOM 6 CG MET A 1 -4.555 12.279 4.158 1.00 61.03 C ATOM 7 SD MET A 1 -5.184 12.381 2.472 1.00 33.14 S ATOM 8 CE MET A 1 -3.663 12.191 1.543 1.00 34.23 C ATOM 0 H1 MET A 1 -2.336 15.228 5.531 1.00 75.54 H new ATOM 0 H2 MET A 1 -2.078 14.687 7.119 1.00 75.54 H new ATOM 0 H3 MET A 1 -1.030 14.199 5.876 1.00 75.54 H new ATOM 0 HA MET A 1 -3.652 13.211 6.620 1.00 34.13 H new ATOM 0 HB2 MET A 1 -4.030 14.343 4.402 1.00 43.42 H new ATOM 0 HB3 MET A 1 -2.759 13.357 3.706 1.00 43.42 H new ATOM 0 HG2 MET A 1 -4.094 11.303 4.312 1.00 61.03 H new ATOM 0 HG3 MET A 1 -5.387 12.352 4.858 1.00 61.03 H new ATOM 0 HE1 MET A 1 -3.887 12.178 0.476 1.00 34.23 H new ATOM 0 HE2 MET A 1 -2.995 13.024 1.764 1.00 34.23 H new ATOM 0 HE3 MET A 1 -3.180 11.255 1.823 1.00 34.23 H new ATOM 20 N GLU A 2 -2.713 10.857 6.367 1.00 4.44 N ATOM 21 CA GLU A 2 -2.064 9.539 6.442 1.00 35.30 C ATOM 22 C GLU A 2 -2.951 8.443 5.832 1.00 2.43 C ATOM 23 O GLU A 2 -4.177 8.457 5.988 1.00 33.34 O ATOM 24 CB GLU A 2 -1.738 9.175 7.900 1.00 41.23 C ATOM 25 CG GLU A 2 -0.797 10.152 8.595 1.00 3.45 C ATOM 26 CD GLU A 2 -0.373 9.667 9.971 1.00 75.52 C ATOM 27 OE1 GLU A 2 0.595 8.880 10.055 1.00 70.30 O ATOM 28 OE2 GLU A 2 -1.010 10.039 10.976 1.00 30.22 O ATOM 0 H GLU A 2 -3.683 10.864 6.681 1.00 4.44 H new ATOM 0 HA GLU A 2 -1.139 9.601 5.869 1.00 35.30 H new ATOM 0 HB2 GLU A 2 -2.668 9.120 8.465 1.00 41.23 H new ATOM 0 HB3 GLU A 2 -1.292 8.181 7.923 1.00 41.23 H new ATOM 0 HG2 GLU A 2 0.088 10.302 7.977 1.00 3.45 H new ATOM 0 HG3 GLU A 2 -1.288 11.121 8.689 1.00 3.45 H new ATOM 35 N MET A 3 -2.327 7.488 5.145 1.00 35.23 N ATOM 36 CA MET A 3 -3.058 6.369 4.542 1.00 21.31 C ATOM 37 C MET A 3 -2.374 5.025 4.848 1.00 62.43 C ATOM 38 O MET A 3 -1.220 4.795 4.479 1.00 30.31 O ATOM 39 CB MET A 3 -3.209 6.576 3.024 1.00 64.21 C ATOM 40 CG MET A 3 -1.895 6.757 2.275 1.00 22.40 C ATOM 41 SD MET A 3 -2.141 7.124 0.527 1.00 74.21 S ATOM 42 CE MET A 3 -3.096 5.698 0.005 1.00 73.54 C ATOM 0 H MET A 3 -1.319 7.464 4.991 1.00 35.23 H new ATOM 0 HA MET A 3 -4.054 6.341 4.985 1.00 21.31 H new ATOM 0 HB2 MET A 3 -3.736 5.719 2.604 1.00 64.21 H new ATOM 0 HB3 MET A 3 -3.835 7.452 2.850 1.00 64.21 H new ATOM 0 HG2 MET A 3 -1.326 7.565 2.736 1.00 22.40 H new ATOM 0 HG3 MET A 3 -1.297 5.851 2.372 1.00 22.40 H new ATOM 0 HE1 MET A 3 -2.627 5.246 -0.869 1.00 73.54 H new ATOM 0 HE2 MET A 3 -3.134 4.969 0.815 1.00 73.54 H new ATOM 0 HE3 MET A 3 -4.109 6.011 -0.249 1.00 73.54 H new ATOM 52 N ASP A 4 -3.099 4.153 5.538 1.00 42.54 N ATOM 53 CA ASP A 4 -2.590 2.837 5.936 1.00 40.10 C ATOM 54 C ASP A 4 -3.119 1.738 4.995 1.00 11.12 C ATOM 55 O ASP A 4 -4.320 1.473 4.945 1.00 51.12 O ATOM 56 CB ASP A 4 -3.019 2.560 7.382 1.00 50.22 C ATOM 57 CG ASP A 4 -2.413 1.294 7.956 1.00 13.31 C ATOM 58 OD1 ASP A 4 -3.019 0.214 7.801 1.00 72.10 O ATOM 59 OD2 ASP A 4 -1.346 1.382 8.598 1.00 15.10 O ATOM 0 H ASP A 4 -4.057 4.334 5.840 1.00 42.54 H new ATOM 0 HA ASP A 4 -1.502 2.833 5.868 1.00 40.10 H new ATOM 0 HB2 ASP A 4 -2.734 3.407 8.007 1.00 50.22 H new ATOM 0 HB3 ASP A 4 -4.106 2.485 7.423 1.00 50.22 H new ATOM 64 N ILE A 5 -2.224 1.108 4.242 1.00 22.33 N ATOM 65 CA ILE A 5 -2.615 0.065 3.288 1.00 3.32 C ATOM 66 C ILE A 5 -2.224 -1.335 3.796 1.00 23.52 C ATOM 67 O ILE A 5 -1.049 -1.628 4.022 1.00 31.11 O ATOM 68 CB ILE A 5 -1.983 0.315 1.896 1.00 51.55 C ATOM 69 CG1 ILE A 5 -2.312 1.740 1.411 1.00 74.41 C ATOM 70 CG2 ILE A 5 -2.479 -0.721 0.888 1.00 3.23 C ATOM 71 CD1 ILE A 5 -1.732 2.078 0.053 1.00 31.05 C ATOM 0 H ILE A 5 -1.222 1.298 4.270 1.00 22.33 H new ATOM 0 HA ILE A 5 -3.700 0.108 3.192 1.00 3.32 H new ATOM 0 HB ILE A 5 -0.901 0.217 1.983 1.00 51.55 H new ATOM 0 HG12 ILE A 5 -3.395 1.858 1.372 1.00 74.41 H new ATOM 0 HG13 ILE A 5 -1.939 2.457 2.143 1.00 74.41 H new ATOM 0 HG21 ILE A 5 -2.024 -0.530 -0.084 1.00 3.23 H new ATOM 0 HG22 ILE A 5 -2.203 -1.720 1.227 1.00 3.23 H new ATOM 0 HG23 ILE A 5 -3.563 -0.654 0.801 1.00 3.23 H new ATOM 0 HD11 ILE A 5 -2.008 3.097 -0.217 1.00 31.05 H new ATOM 0 HD12 ILE A 5 -0.646 1.994 0.090 1.00 31.05 H new ATOM 0 HD13 ILE A 5 -2.124 1.386 -0.693 1.00 31.05 H new ATOM 83 N ARG A 6 -3.222 -2.198 3.956 1.00 60.44 N ATOM 84 CA ARG A 6 -3.027 -3.531 4.540 1.00 33.01 C ATOM 85 C ARG A 6 -3.036 -4.631 3.465 1.00 65.42 C ATOM 86 O ARG A 6 -4.090 -4.981 2.930 1.00 61.22 O ATOM 87 CB ARG A 6 -4.131 -3.788 5.578 1.00 40.44 C ATOM 88 CG ARG A 6 -4.105 -2.802 6.747 1.00 72.14 C ATOM 89 CD ARG A 6 -5.472 -2.664 7.416 1.00 11.33 C ATOM 90 NE ARG A 6 -5.992 -3.940 7.909 1.00 33.42 N ATOM 91 CZ ARG A 6 -7.258 -4.273 7.882 1.00 13.34 C ATOM 92 NH1 ARG A 6 -8.131 -3.501 7.318 1.00 21.53 N ATOM 93 NH2 ARG A 6 -7.648 -5.392 8.393 1.00 34.34 N ATOM 0 H ARG A 6 -4.186 -2.000 3.688 1.00 60.44 H new ATOM 0 HA ARG A 6 -2.049 -3.560 5.021 1.00 33.01 H new ATOM 0 HB2 ARG A 6 -5.102 -3.732 5.086 1.00 40.44 H new ATOM 0 HB3 ARG A 6 -4.027 -4.802 5.965 1.00 40.44 H new ATOM 0 HG2 ARG A 6 -3.374 -3.134 7.484 1.00 72.14 H new ATOM 0 HG3 ARG A 6 -3.777 -1.826 6.390 1.00 72.14 H new ATOM 0 HD2 ARG A 6 -5.396 -1.962 8.247 1.00 11.33 H new ATOM 0 HD3 ARG A 6 -6.179 -2.239 6.704 1.00 11.33 H new ATOM 0 HE ARG A 6 -5.328 -4.610 8.297 1.00 33.42 H new ATOM 0 HH11 ARG A 6 -7.835 -2.624 6.889 1.00 21.53 H new ATOM 0 HH12 ARG A 6 -9.115 -3.770 7.302 1.00 21.53 H new ATOM 0 HH21 ARG A 6 -6.969 -6.022 8.820 1.00 34.34 H new ATOM 0 HH22 ARG A 6 -8.635 -5.647 8.369 1.00 34.34 H new ATOM 107 N PHE A 7 -1.857 -5.164 3.146 1.00 42.25 N ATOM 108 CA PHE A 7 -1.730 -6.258 2.171 1.00 33.03 C ATOM 109 C PHE A 7 -1.739 -7.640 2.851 1.00 74.23 C ATOM 110 O PHE A 7 -1.258 -7.801 3.971 1.00 25.01 O ATOM 111 CB PHE A 7 -0.429 -6.115 1.365 1.00 1.22 C ATOM 112 CG PHE A 7 -0.401 -4.941 0.415 1.00 5.23 C ATOM 113 CD1 PHE A 7 -0.913 -5.058 -0.870 1.00 54.22 C ATOM 114 CD2 PHE A 7 0.154 -3.727 0.800 1.00 64.24 C ATOM 115 CE1 PHE A 7 -0.875 -3.993 -1.750 1.00 4.04 C ATOM 116 CE2 PHE A 7 0.193 -2.658 -0.077 1.00 71.04 C ATOM 117 CZ PHE A 7 -0.322 -2.792 -1.353 1.00 20.42 C ATOM 0 H PHE A 7 -0.971 -4.858 3.548 1.00 42.25 H new ATOM 0 HA PHE A 7 -2.592 -6.189 1.508 1.00 33.03 H new ATOM 0 HB2 PHE A 7 0.405 -6.022 2.061 1.00 1.22 H new ATOM 0 HB3 PHE A 7 -0.268 -7.030 0.795 1.00 1.22 H new ATOM 0 HD1 PHE A 7 -1.347 -5.995 -1.187 1.00 54.22 H new ATOM 0 HD2 PHE A 7 0.559 -3.617 1.795 1.00 64.24 H new ATOM 0 HE1 PHE A 7 -1.277 -4.100 -2.747 1.00 4.04 H new ATOM 0 HE2 PHE A 7 0.626 -1.719 0.235 1.00 71.04 H new ATOM 0 HZ PHE A 7 -0.292 -1.958 -2.038 1.00 20.42 H new ATOM 127 N ARG A 8 -2.294 -8.633 2.161 1.00 63.14 N ATOM 128 CA ARG A 8 -2.224 -10.034 2.597 1.00 21.10 C ATOM 129 C ARG A 8 -2.067 -10.971 1.389 1.00 64.34 C ATOM 130 O ARG A 8 -2.920 -11.004 0.499 1.00 32.34 O ATOM 131 CB ARG A 8 -3.468 -10.433 3.414 1.00 60.51 C ATOM 132 CG ARG A 8 -3.590 -11.941 3.626 1.00 33.12 C ATOM 133 CD ARG A 8 -4.761 -12.317 4.528 1.00 71.15 C ATOM 134 NE ARG A 8 -4.495 -12.022 5.935 1.00 22.41 N ATOM 135 CZ ARG A 8 -4.927 -12.751 6.932 1.00 4.35 C ATOM 136 NH1 ARG A 8 -5.630 -13.816 6.717 1.00 60.42 N ATOM 137 NH2 ARG A 8 -4.626 -12.425 8.145 1.00 5.45 N ATOM 0 H ARG A 8 -2.803 -8.496 1.288 1.00 63.14 H new ATOM 0 HA ARG A 8 -1.349 -10.133 3.239 1.00 21.10 H new ATOM 0 HB2 ARG A 8 -3.432 -9.938 4.384 1.00 60.51 H new ATOM 0 HB3 ARG A 8 -4.361 -10.071 2.905 1.00 60.51 H new ATOM 0 HG2 ARG A 8 -3.709 -12.431 2.660 1.00 33.12 H new ATOM 0 HG3 ARG A 8 -2.665 -12.318 4.062 1.00 33.12 H new ATOM 0 HD2 ARG A 8 -5.652 -11.776 4.208 1.00 71.15 H new ATOM 0 HD3 ARG A 8 -4.976 -13.380 4.416 1.00 71.15 H new ATOM 0 HE ARG A 8 -3.938 -11.196 6.153 1.00 22.41 H new ATOM 0 HH11 ARG A 8 -5.853 -14.096 5.762 1.00 60.42 H new ATOM 0 HH12 ARG A 8 -5.961 -14.376 7.503 1.00 60.42 H new ATOM 0 HH21 ARG A 8 -4.053 -11.601 8.324 1.00 5.45 H new ATOM 0 HH22 ARG A 8 -4.962 -12.992 8.924 1.00 5.45 H new ATOM 151 N GLY A 9 -0.983 -11.738 1.372 1.00 41.14 N ATOM 152 CA GLY A 9 -0.737 -12.657 0.268 1.00 63.52 C ATOM 153 C GLY A 9 0.290 -13.727 0.605 1.00 32.43 C ATOM 154 O GLY A 9 1.114 -13.548 1.503 1.00 5.44 O ATOM 0 H GLY A 9 -0.269 -11.743 2.100 1.00 41.14 H new ATOM 0 HA2 GLY A 9 -1.674 -13.137 -0.014 1.00 63.52 H new ATOM 0 HA3 GLY A 9 -0.394 -12.092 -0.599 1.00 63.52 H new ATOM 158 N ASP A 10 0.231 -14.846 -0.105 1.00 22.13 N ATOM 159 CA ASP A 10 1.168 -15.951 0.106 1.00 43.20 C ATOM 160 C ASP A 10 2.426 -15.795 -0.766 1.00 22.41 C ATOM 161 O ASP A 10 3.514 -16.235 -0.389 1.00 0.24 O ATOM 162 CB ASP A 10 0.470 -17.284 -0.191 1.00 74.23 C ATOM 163 CG ASP A 10 1.393 -18.475 -0.013 1.00 13.12 C ATOM 164 OD1 ASP A 10 1.784 -18.762 1.138 1.00 35.23 O ATOM 165 OD2 ASP A 10 1.728 -19.134 -1.019 1.00 42.25 O ATOM 0 H ASP A 10 -0.459 -15.017 -0.837 1.00 22.13 H new ATOM 0 HA ASP A 10 1.488 -15.936 1.148 1.00 43.20 H new ATOM 0 HB2 ASP A 10 -0.391 -17.394 0.468 1.00 74.23 H new ATOM 0 HB3 ASP A 10 0.090 -17.272 -1.213 1.00 74.23 H new ATOM 170 N ASP A 11 2.269 -15.169 -1.927 1.00 51.40 N ATOM 171 CA ASP A 11 3.385 -14.947 -2.852 1.00 61.12 C ATOM 172 C ASP A 11 4.437 -13.988 -2.260 1.00 2.12 C ATOM 173 O ASP A 11 4.137 -12.833 -1.945 1.00 0.42 O ATOM 174 CB ASP A 11 2.856 -14.402 -4.181 1.00 4.15 C ATOM 175 CG ASP A 11 1.936 -15.392 -4.874 1.00 53.32 C ATOM 176 OD1 ASP A 11 0.751 -15.480 -4.492 1.00 15.42 O ATOM 177 OD2 ASP A 11 2.399 -16.093 -5.799 1.00 62.44 O ATOM 0 H ASP A 11 1.376 -14.803 -2.255 1.00 51.40 H new ATOM 0 HA ASP A 11 3.877 -15.905 -3.022 1.00 61.12 H new ATOM 0 HB2 ASP A 11 2.319 -13.470 -4.003 1.00 4.15 H new ATOM 0 HB3 ASP A 11 3.695 -14.166 -4.836 1.00 4.15 H new ATOM 182 N LEU A 12 5.671 -14.472 -2.128 1.00 32.31 N ATOM 183 CA LEU A 12 6.766 -13.680 -1.552 1.00 10.10 C ATOM 184 C LEU A 12 7.084 -12.452 -2.420 1.00 54.02 C ATOM 185 O LEU A 12 7.318 -11.355 -1.907 1.00 3.02 O ATOM 186 CB LEU A 12 8.019 -14.552 -1.396 1.00 5.45 C ATOM 187 CG LEU A 12 9.215 -13.874 -0.707 1.00 32.04 C ATOM 188 CD1 LEU A 12 8.882 -13.523 0.743 1.00 52.02 C ATOM 189 CD2 LEU A 12 10.453 -14.764 -0.784 1.00 54.14 C ATOM 0 H LEU A 12 5.942 -15.413 -2.413 1.00 32.31 H new ATOM 0 HA LEU A 12 6.447 -13.326 -0.571 1.00 10.10 H new ATOM 0 HB2 LEU A 12 7.752 -15.443 -0.828 1.00 5.45 H new ATOM 0 HB3 LEU A 12 8.333 -14.886 -2.385 1.00 5.45 H new ATOM 0 HG LEU A 12 9.431 -12.945 -1.234 1.00 32.04 H new ATOM 0 HD11 LEU A 12 9.744 -13.045 1.209 1.00 52.02 H new ATOM 0 HD12 LEU A 12 8.032 -12.841 0.766 1.00 52.02 H new ATOM 0 HD13 LEU A 12 8.633 -14.433 1.289 1.00 52.02 H new ATOM 0 HD21 LEU A 12 11.289 -14.268 -0.291 1.00 54.14 H new ATOM 0 HD22 LEU A 12 10.250 -15.713 -0.287 1.00 54.14 H new ATOM 0 HD23 LEU A 12 10.705 -14.948 -1.829 1.00 54.14 H new ATOM 201 N GLU A 13 7.082 -12.648 -3.739 1.00 73.41 N ATOM 202 CA GLU A 13 7.324 -11.555 -4.690 1.00 43.33 C ATOM 203 C GLU A 13 6.314 -10.410 -4.487 1.00 31.14 C ATOM 204 O GLU A 13 6.659 -9.235 -4.600 1.00 53.11 O ATOM 205 CB GLU A 13 7.245 -12.081 -6.133 1.00 72.32 C ATOM 206 CG GLU A 13 7.605 -11.049 -7.205 1.00 14.05 C ATOM 207 CD GLU A 13 9.082 -10.674 -7.204 1.00 74.14 C ATOM 208 OE1 GLU A 13 9.883 -11.405 -7.825 1.00 54.21 O ATOM 209 OE2 GLU A 13 9.448 -9.653 -6.588 1.00 63.55 O ATOM 0 H GLU A 13 6.915 -13.554 -4.177 1.00 73.41 H new ATOM 0 HA GLU A 13 8.324 -11.162 -4.508 1.00 43.33 H new ATOM 0 HB2 GLU A 13 7.913 -12.937 -6.232 1.00 72.32 H new ATOM 0 HB3 GLU A 13 6.234 -12.443 -6.320 1.00 72.32 H new ATOM 0 HG2 GLU A 13 7.338 -11.444 -8.185 1.00 14.05 H new ATOM 0 HG3 GLU A 13 7.008 -10.150 -7.050 1.00 14.05 H new ATOM 216 N ALA A 14 5.068 -10.769 -4.164 1.00 20.41 N ATOM 217 CA ALA A 14 4.014 -9.780 -3.907 1.00 23.24 C ATOM 218 C ALA A 14 4.398 -8.837 -2.758 1.00 74.44 C ATOM 219 O ALA A 14 4.155 -7.632 -2.825 1.00 75.41 O ATOM 220 CB ALA A 14 2.698 -10.486 -3.599 1.00 55.53 C ATOM 0 H ALA A 14 4.763 -11.738 -4.074 1.00 20.41 H new ATOM 0 HA ALA A 14 3.892 -9.175 -4.805 1.00 23.24 H new ATOM 0 HB1 ALA A 14 1.923 -9.744 -3.410 1.00 55.53 H new ATOM 0 HB2 ALA A 14 2.409 -11.104 -4.449 1.00 55.53 H new ATOM 0 HB3 ALA A 14 2.820 -11.116 -2.718 1.00 55.53 H new ATOM 226 N PHE A 15 5.004 -9.400 -1.712 1.00 2.42 N ATOM 227 CA PHE A 15 5.488 -8.617 -0.568 1.00 31.21 C ATOM 228 C PHE A 15 6.417 -7.474 -1.012 1.00 31.11 C ATOM 229 O PHE A 15 6.149 -6.297 -0.748 1.00 12.14 O ATOM 230 CB PHE A 15 6.221 -9.540 0.427 1.00 72.34 C ATOM 231 CG PHE A 15 7.175 -8.822 1.356 1.00 24.15 C ATOM 232 CD1 PHE A 15 6.702 -7.978 2.349 1.00 3.03 C ATOM 233 CD2 PHE A 15 8.550 -8.989 1.224 1.00 30.00 C ATOM 234 CE1 PHE A 15 7.579 -7.317 3.191 1.00 40.13 C ATOM 235 CE2 PHE A 15 9.427 -8.330 2.062 1.00 33.41 C ATOM 236 CZ PHE A 15 8.941 -7.493 3.048 1.00 62.03 C ATOM 0 H PHE A 15 5.173 -10.403 -1.631 1.00 2.42 H new ATOM 0 HA PHE A 15 4.623 -8.168 -0.080 1.00 31.21 H new ATOM 0 HB2 PHE A 15 5.480 -10.071 1.025 1.00 72.34 H new ATOM 0 HB3 PHE A 15 6.776 -10.292 -0.134 1.00 72.34 H new ATOM 0 HD1 PHE A 15 5.638 -7.835 2.467 1.00 3.03 H new ATOM 0 HD2 PHE A 15 8.936 -9.643 0.456 1.00 30.00 H new ATOM 0 HE1 PHE A 15 7.198 -6.663 3.961 1.00 40.13 H new ATOM 0 HE2 PHE A 15 10.492 -8.469 1.947 1.00 33.41 H new ATOM 0 HZ PHE A 15 9.625 -6.977 3.706 1.00 62.03 H new ATOM 246 N GLU A 16 7.508 -7.827 -1.690 1.00 23.32 N ATOM 247 CA GLU A 16 8.513 -6.840 -2.085 1.00 51.53 C ATOM 248 C GLU A 16 8.001 -5.910 -3.193 1.00 43.22 C ATOM 249 O GLU A 16 8.254 -4.711 -3.160 1.00 1.15 O ATOM 250 CB GLU A 16 9.808 -7.533 -2.529 1.00 72.22 C ATOM 251 CG GLU A 16 10.922 -6.558 -2.896 1.00 14.12 C ATOM 252 CD GLU A 16 12.261 -7.239 -3.118 1.00 3.05 C ATOM 253 OE1 GLU A 16 12.535 -7.678 -4.251 1.00 1.21 O ATOM 254 OE2 GLU A 16 13.050 -7.330 -2.157 1.00 34.44 O ATOM 0 H GLU A 16 7.718 -8.783 -1.976 1.00 23.32 H new ATOM 0 HA GLU A 16 8.722 -6.225 -1.209 1.00 51.53 H new ATOM 0 HB2 GLU A 16 10.155 -8.185 -1.728 1.00 72.22 H new ATOM 0 HB3 GLU A 16 9.595 -8.169 -3.388 1.00 72.22 H new ATOM 0 HG2 GLU A 16 10.641 -6.019 -3.801 1.00 14.12 H new ATOM 0 HG3 GLU A 16 11.025 -5.818 -2.103 1.00 14.12 H new ATOM 261 N LYS A 17 7.278 -6.458 -4.169 1.00 52.13 N ATOM 262 CA LYS A 17 6.755 -5.656 -5.286 1.00 12.51 C ATOM 263 C LYS A 17 5.761 -4.585 -4.821 1.00 65.24 C ATOM 264 O LYS A 17 5.853 -3.426 -5.228 1.00 43.41 O ATOM 265 CB LYS A 17 6.109 -6.562 -6.342 1.00 64.14 C ATOM 266 CG LYS A 17 7.125 -7.296 -7.208 1.00 21.40 C ATOM 267 CD LYS A 17 7.952 -6.320 -8.042 1.00 15.00 C ATOM 268 CE LYS A 17 9.087 -7.011 -8.782 1.00 10.43 C ATOM 269 NZ LYS A 17 9.819 -6.066 -9.666 1.00 23.31 N ATOM 0 H LYS A 17 7.039 -7.449 -4.213 1.00 52.13 H new ATOM 0 HA LYS A 17 7.604 -5.136 -5.731 1.00 12.51 H new ATOM 0 HB2 LYS A 17 5.472 -7.292 -5.843 1.00 64.14 H new ATOM 0 HB3 LYS A 17 5.464 -5.960 -6.982 1.00 64.14 H new ATOM 0 HG2 LYS A 17 7.786 -7.887 -6.574 1.00 21.40 H new ATOM 0 HG3 LYS A 17 6.608 -7.993 -7.867 1.00 21.40 H new ATOM 0 HD2 LYS A 17 7.303 -5.820 -8.761 1.00 15.00 H new ATOM 0 HD3 LYS A 17 8.362 -5.547 -7.392 1.00 15.00 H new ATOM 0 HE2 LYS A 17 9.779 -7.447 -8.062 1.00 10.43 H new ATOM 0 HE3 LYS A 17 8.687 -7.832 -9.377 1.00 10.43 H new ATOM 0 HZ1 LYS A 17 10.586 -6.571 -10.155 1.00 23.31 H new ATOM 0 HZ2 LYS A 17 9.163 -5.669 -10.369 1.00 23.31 H new ATOM 0 HZ3 LYS A 17 10.221 -5.296 -9.094 1.00 23.31 H new ATOM 283 N ALA A 18 4.816 -4.968 -3.967 1.00 44.54 N ATOM 284 CA ALA A 18 3.839 -4.013 -3.438 1.00 31.14 C ATOM 285 C ALA A 18 4.533 -2.890 -2.651 1.00 52.44 C ATOM 286 O ALA A 18 4.279 -1.707 -2.880 1.00 33.13 O ATOM 287 CB ALA A 18 2.811 -4.734 -2.575 1.00 2.24 C ATOM 0 H ALA A 18 4.704 -5.923 -3.627 1.00 44.54 H new ATOM 0 HA ALA A 18 3.320 -3.551 -4.278 1.00 31.14 H new ATOM 0 HB1 ALA A 18 2.091 -4.013 -2.188 1.00 2.24 H new ATOM 0 HB2 ALA A 18 2.291 -5.480 -3.176 1.00 2.24 H new ATOM 0 HB3 ALA A 18 3.315 -5.226 -1.743 1.00 2.24 H new ATOM 293 N LEU A 19 5.427 -3.272 -1.742 1.00 52.31 N ATOM 294 CA LEU A 19 6.218 -2.304 -0.975 1.00 40.42 C ATOM 295 C LEU A 19 7.097 -1.442 -1.904 1.00 2.25 C ATOM 296 O LEU A 19 7.223 -0.229 -1.718 1.00 21.31 O ATOM 297 CB LEU A 19 7.098 -3.042 0.044 1.00 21.24 C ATOM 298 CG LEU A 19 7.979 -2.147 0.936 1.00 35.14 C ATOM 299 CD1 LEU A 19 7.121 -1.250 1.830 1.00 3.21 C ATOM 300 CD2 LEU A 19 8.929 -3.000 1.773 1.00 65.31 C ATOM 0 H LEU A 19 5.624 -4.247 -1.516 1.00 52.31 H new ATOM 0 HA LEU A 19 5.530 -1.641 -0.449 1.00 40.42 H new ATOM 0 HB2 LEU A 19 6.453 -3.642 0.686 1.00 21.24 H new ATOM 0 HB3 LEU A 19 7.744 -3.735 -0.495 1.00 21.24 H new ATOM 0 HG LEU A 19 8.574 -1.502 0.290 1.00 35.14 H new ATOM 0 HD11 LEU A 19 7.768 -0.628 2.449 1.00 3.21 H new ATOM 0 HD12 LEU A 19 6.492 -0.613 1.209 1.00 3.21 H new ATOM 0 HD13 LEU A 19 6.492 -1.869 2.469 1.00 3.21 H new ATOM 0 HD21 LEU A 19 9.545 -2.353 2.398 1.00 65.31 H new ATOM 0 HD22 LEU A 19 8.351 -3.673 2.407 1.00 65.31 H new ATOM 0 HD23 LEU A 19 9.570 -3.584 1.113 1.00 65.31 H new ATOM 312 N LYS A 20 7.685 -2.088 -2.907 1.00 74.33 N ATOM 313 CA LYS A 20 8.576 -1.425 -3.866 1.00 54.33 C ATOM 314 C LYS A 20 7.867 -0.284 -4.608 1.00 1.51 C ATOM 315 O LYS A 20 8.337 0.852 -4.604 1.00 33.14 O ATOM 316 CB LYS A 20 9.099 -2.453 -4.882 1.00 54.34 C ATOM 317 CG LYS A 20 9.975 -1.873 -5.990 1.00 55.53 C ATOM 318 CD LYS A 20 11.256 -1.254 -5.443 1.00 52.12 C ATOM 319 CE LYS A 20 12.155 -0.749 -6.565 1.00 33.43 C ATOM 320 NZ LYS A 20 13.408 -0.134 -6.050 1.00 22.25 N ATOM 0 H LYS A 20 7.560 -3.085 -3.081 1.00 74.33 H new ATOM 0 HA LYS A 20 9.407 -0.995 -3.306 1.00 54.33 H new ATOM 0 HB2 LYS A 20 9.670 -3.212 -4.348 1.00 54.34 H new ATOM 0 HB3 LYS A 20 8.247 -2.957 -5.339 1.00 54.34 H new ATOM 0 HG2 LYS A 20 10.228 -2.660 -6.701 1.00 55.53 H new ATOM 0 HG3 LYS A 20 9.413 -1.117 -6.538 1.00 55.53 H new ATOM 0 HD2 LYS A 20 11.007 -0.429 -4.776 1.00 52.12 H new ATOM 0 HD3 LYS A 20 11.794 -1.993 -4.849 1.00 52.12 H new ATOM 0 HE2 LYS A 20 12.405 -1.577 -7.228 1.00 33.43 H new ATOM 0 HE3 LYS A 20 11.611 -0.016 -7.161 1.00 33.43 H new ATOM 0 HZ1 LYS A 20 13.987 0.195 -6.849 1.00 22.25 H new ATOM 0 HZ2 LYS A 20 13.172 0.673 -5.438 1.00 22.25 H new ATOM 0 HZ3 LYS A 20 13.941 -0.839 -5.503 1.00 22.25 H new ATOM 334 N GLU A 21 6.736 -0.598 -5.238 1.00 2.31 N ATOM 335 CA GLU A 21 6.003 0.382 -6.047 1.00 1.45 C ATOM 336 C GLU A 21 5.471 1.552 -5.202 1.00 30.15 C ATOM 337 O GLU A 21 5.575 2.711 -5.606 1.00 44.02 O ATOM 338 CB GLU A 21 4.860 -0.299 -6.808 1.00 12.31 C ATOM 339 CG GLU A 21 5.337 -1.336 -7.825 1.00 40.21 C ATOM 340 CD GLU A 21 6.264 -0.746 -8.882 1.00 35.24 C ATOM 341 OE1 GLU A 21 5.772 -0.009 -9.766 1.00 72.01 O ATOM 342 OE2 GLU A 21 7.484 -1.015 -8.842 1.00 43.33 O ATOM 0 H GLU A 21 6.305 -1.522 -5.206 1.00 2.31 H new ATOM 0 HA GLU A 21 6.707 0.800 -6.766 1.00 1.45 H new ATOM 0 HB2 GLU A 21 4.195 -0.783 -6.092 1.00 12.31 H new ATOM 0 HB3 GLU A 21 4.274 0.461 -7.324 1.00 12.31 H new ATOM 0 HG2 GLU A 21 5.855 -2.139 -7.302 1.00 40.21 H new ATOM 0 HG3 GLU A 21 4.472 -1.782 -8.316 1.00 40.21 H new ATOM 349 N MET A 22 4.927 1.259 -4.019 1.00 73.30 N ATOM 350 CA MET A 22 4.413 2.318 -3.136 1.00 31.04 C ATOM 351 C MET A 22 5.512 3.339 -2.796 1.00 51.54 C ATOM 352 O MET A 22 5.305 4.548 -2.909 1.00 51.34 O ATOM 353 CB MET A 22 3.819 1.725 -1.852 1.00 64.03 C ATOM 354 CG MET A 22 2.659 0.768 -2.103 1.00 10.34 C ATOM 355 SD MET A 22 1.412 1.446 -3.218 1.00 53.24 S ATOM 356 CE MET A 22 0.888 2.910 -2.332 1.00 4.20 C ATOM 0 H MET A 22 4.830 0.313 -3.651 1.00 73.30 H new ATOM 0 HA MET A 22 3.619 2.837 -3.673 1.00 31.04 H new ATOM 0 HB2 MET A 22 4.603 1.198 -1.308 1.00 64.03 H new ATOM 0 HB3 MET A 22 3.477 2.537 -1.211 1.00 64.03 H new ATOM 0 HG2 MET A 22 3.046 -0.161 -2.522 1.00 10.34 H new ATOM 0 HG3 MET A 22 2.190 0.518 -1.152 1.00 10.34 H new ATOM 0 HE1 MET A 22 -0.126 3.174 -2.633 1.00 4.20 H new ATOM 0 HE2 MET A 22 0.908 2.713 -1.260 1.00 4.20 H new ATOM 0 HE3 MET A 22 1.562 3.735 -2.562 1.00 4.20 H new ATOM 366 N ILE A 23 6.685 2.847 -2.388 1.00 72.25 N ATOM 367 CA ILE A 23 7.838 3.719 -2.126 1.00 24.24 C ATOM 368 C ILE A 23 8.337 4.375 -3.428 1.00 64.33 C ATOM 369 O ILE A 23 8.715 5.547 -3.448 1.00 42.41 O ATOM 370 CB ILE A 23 9.005 2.932 -1.471 1.00 34.50 C ATOM 371 CG1 ILE A 23 8.544 2.294 -0.148 1.00 63.23 C ATOM 372 CG2 ILE A 23 10.217 3.840 -1.241 1.00 24.24 C ATOM 373 CD1 ILE A 23 9.618 1.487 0.555 1.00 74.51 C ATOM 0 H ILE A 23 6.863 1.855 -2.232 1.00 72.25 H new ATOM 0 HA ILE A 23 7.504 4.494 -1.436 1.00 24.24 H new ATOM 0 HB ILE A 23 9.307 2.137 -2.153 1.00 34.50 H new ATOM 0 HG12 ILE A 23 8.199 3.081 0.522 1.00 63.23 H new ATOM 0 HG13 ILE A 23 7.690 1.647 -0.347 1.00 63.23 H new ATOM 0 HG21 ILE A 23 11.021 3.265 -0.781 1.00 24.24 H new ATOM 0 HG22 ILE A 23 10.558 4.241 -2.196 1.00 24.24 H new ATOM 0 HG23 ILE A 23 9.936 4.662 -0.582 1.00 24.24 H new ATOM 0 HD11 ILE A 23 9.215 1.071 1.478 1.00 74.51 H new ATOM 0 HD12 ILE A 23 9.948 0.676 -0.095 1.00 74.51 H new ATOM 0 HD13 ILE A 23 10.465 2.133 0.788 1.00 74.51 H new ATOM 385 N ARG A 24 8.311 3.600 -4.510 1.00 63.34 N ATOM 386 CA ARG A 24 8.755 4.055 -5.835 1.00 63.44 C ATOM 387 C ARG A 24 8.028 5.342 -6.266 1.00 23.33 C ATOM 388 O ARG A 24 8.657 6.308 -6.702 1.00 35.33 O ATOM 389 CB ARG A 24 8.511 2.927 -6.849 1.00 22.13 C ATOM 390 CG ARG A 24 8.983 3.211 -8.268 1.00 0.33 C ATOM 391 CD ARG A 24 8.704 2.012 -9.171 1.00 63.33 C ATOM 392 NE ARG A 24 9.079 2.243 -10.561 1.00 44.52 N ATOM 393 CZ ARG A 24 8.827 1.407 -11.532 1.00 42.02 C ATOM 394 NH1 ARG A 24 8.216 0.285 -11.306 1.00 55.42 N ATOM 395 NH2 ARG A 24 9.192 1.701 -12.734 1.00 20.04 N ATOM 0 H ARG A 24 7.981 2.635 -4.497 1.00 63.34 H new ATOM 0 HA ARG A 24 9.818 4.292 -5.791 1.00 63.44 H new ATOM 0 HB2 ARG A 24 9.010 2.026 -6.492 1.00 22.13 H new ATOM 0 HB3 ARG A 24 7.443 2.710 -6.876 1.00 22.13 H new ATOM 0 HG2 ARG A 24 8.475 4.094 -8.657 1.00 0.33 H new ATOM 0 HG3 ARG A 24 10.050 3.432 -8.266 1.00 0.33 H new ATOM 0 HD2 ARG A 24 9.248 1.146 -8.793 1.00 63.33 H new ATOM 0 HD3 ARG A 24 7.643 1.768 -9.123 1.00 63.33 H new ATOM 0 HE ARG A 24 9.567 3.109 -10.788 1.00 44.52 H new ATOM 0 HH11 ARG A 24 7.925 0.045 -10.358 1.00 55.42 H new ATOM 0 HH12 ARG A 24 8.027 -0.357 -12.076 1.00 55.42 H new ATOM 0 HH21 ARG A 24 9.673 2.581 -12.920 1.00 20.04 H new ATOM 0 HH22 ARG A 24 8.999 1.054 -13.498 1.00 20.04 H new ATOM 409 N GLN A 25 6.700 5.352 -6.136 1.00 42.34 N ATOM 410 CA GLN A 25 5.908 6.559 -6.418 1.00 0.21 C ATOM 411 C GLN A 25 6.067 7.613 -5.307 1.00 32.50 C ATOM 412 O GLN A 25 6.189 8.808 -5.587 1.00 63.23 O ATOM 413 CB GLN A 25 4.415 6.215 -6.600 1.00 53.32 C ATOM 414 CG GLN A 25 4.063 5.589 -7.952 1.00 3.32 C ATOM 415 CD GLN A 25 4.558 4.162 -8.119 1.00 32.32 C ATOM 416 OE1 GLN A 25 3.867 3.209 -7.787 1.00 73.44 O ATOM 417 NE2 GLN A 25 5.754 4.003 -8.644 1.00 1.41 N ATOM 0 H GLN A 25 6.150 4.546 -5.840 1.00 42.34 H new ATOM 0 HA GLN A 25 6.289 6.979 -7.349 1.00 0.21 H new ATOM 0 HB2 GLN A 25 4.115 5.529 -5.808 1.00 53.32 H new ATOM 0 HB3 GLN A 25 3.828 7.125 -6.472 1.00 53.32 H new ATOM 0 HG2 GLN A 25 2.980 5.604 -8.077 1.00 3.32 H new ATOM 0 HG3 GLN A 25 4.485 6.204 -8.747 1.00 3.32 H new ATOM 0 HE21 GLN A 25 6.306 4.818 -8.911 1.00 1.41 H new ATOM 0 HE22 GLN A 25 6.129 3.065 -8.784 1.00 1.41 H new ATOM 426 N ALA A 26 6.080 7.164 -4.049 1.00 60.04 N ATOM 427 CA ALA A 26 6.171 8.068 -2.889 1.00 14.43 C ATOM 428 C ALA A 26 7.417 8.969 -2.930 1.00 74.42 C ATOM 429 O ALA A 26 7.393 10.089 -2.419 1.00 51.52 O ATOM 430 CB ALA A 26 6.150 7.263 -1.596 1.00 23.41 C ATOM 0 H ALA A 26 6.029 6.176 -3.803 1.00 60.04 H new ATOM 0 HA ALA A 26 5.303 8.726 -2.930 1.00 14.43 H new ATOM 0 HB1 ALA A 26 6.218 7.940 -0.745 1.00 23.41 H new ATOM 0 HB2 ALA A 26 5.221 6.696 -1.536 1.00 23.41 H new ATOM 0 HB3 ALA A 26 6.996 6.576 -1.581 1.00 23.41 H new ATOM 436 N ARG A 27 8.496 8.478 -3.541 1.00 12.44 N ATOM 437 CA ARG A 27 9.748 9.244 -3.668 1.00 35.14 C ATOM 438 C ARG A 27 9.539 10.594 -4.371 1.00 43.15 C ATOM 439 O ARG A 27 10.268 11.554 -4.117 1.00 31.13 O ATOM 440 CB ARG A 27 10.799 8.427 -4.434 1.00 74.24 C ATOM 441 CG ARG A 27 11.338 7.225 -3.665 1.00 62.21 C ATOM 442 CD ARG A 27 12.376 6.460 -4.480 1.00 52.04 C ATOM 443 NE ARG A 27 13.477 7.321 -4.914 1.00 64.42 N ATOM 444 CZ ARG A 27 14.589 6.888 -5.441 1.00 14.42 C ATOM 445 NH1 ARG A 27 14.800 5.618 -5.605 1.00 64.43 N ATOM 446 NH2 ARG A 27 15.491 7.737 -5.807 1.00 5.40 N ATOM 0 H ARG A 27 8.533 7.549 -3.960 1.00 12.44 H new ATOM 0 HA ARG A 27 10.099 9.445 -2.656 1.00 35.14 H new ATOM 0 HB2 ARG A 27 10.361 8.079 -5.370 1.00 74.24 H new ATOM 0 HB3 ARG A 27 11.632 9.080 -4.695 1.00 74.24 H new ATOM 0 HG2 ARG A 27 11.784 7.561 -2.729 1.00 62.21 H new ATOM 0 HG3 ARG A 27 10.515 6.559 -3.405 1.00 62.21 H new ATOM 0 HD2 ARG A 27 12.772 5.639 -3.883 1.00 52.04 H new ATOM 0 HD3 ARG A 27 11.897 6.017 -5.353 1.00 52.04 H new ATOM 0 HE ARG A 27 13.367 8.328 -4.796 1.00 64.42 H new ATOM 0 HH11 ARG A 27 14.091 4.942 -5.320 1.00 64.43 H new ATOM 0 HH12 ARG A 27 15.675 5.296 -6.019 1.00 64.43 H new ATOM 0 HH21 ARG A 27 15.331 8.737 -5.683 1.00 5.40 H new ATOM 0 HH22 ARG A 27 16.364 7.408 -6.220 1.00 5.40 H new ATOM 460 N LYS A 28 8.551 10.661 -5.264 1.00 11.45 N ATOM 461 CA LYS A 28 8.247 11.899 -5.996 1.00 24.52 C ATOM 462 C LYS A 28 7.522 12.923 -5.106 1.00 33.42 C ATOM 463 O LYS A 28 7.395 14.100 -5.462 1.00 62.33 O ATOM 464 CB LYS A 28 7.397 11.586 -7.238 1.00 72.24 C ATOM 465 CG LYS A 28 8.085 10.663 -8.243 1.00 21.15 C ATOM 466 CD LYS A 28 9.369 11.267 -8.826 1.00 60.11 C ATOM 467 CE LYS A 28 9.096 12.392 -9.828 1.00 12.02 C ATOM 468 NZ LYS A 28 8.449 13.577 -9.206 1.00 51.01 N ATOM 0 H LYS A 28 7.946 9.875 -5.500 1.00 11.45 H new ATOM 0 HA LYS A 28 9.194 12.339 -6.307 1.00 24.52 H new ATOM 0 HB2 LYS A 28 6.461 11.127 -6.919 1.00 72.24 H new ATOM 0 HB3 LYS A 28 7.140 12.521 -7.735 1.00 72.24 H new ATOM 0 HG2 LYS A 28 8.323 9.717 -7.756 1.00 21.15 H new ATOM 0 HG3 LYS A 28 7.394 10.439 -9.055 1.00 21.15 H new ATOM 0 HD2 LYS A 28 9.985 11.652 -8.013 1.00 60.11 H new ATOM 0 HD3 LYS A 28 9.944 10.482 -9.317 1.00 60.11 H new ATOM 0 HE2 LYS A 28 10.036 12.697 -10.288 1.00 12.02 H new ATOM 0 HE3 LYS A 28 8.458 12.013 -10.627 1.00 12.02 H new ATOM 0 HZ1 LYS A 28 8.834 14.445 -9.630 1.00 51.01 H new ATOM 0 HZ2 LYS A 28 7.423 13.538 -9.369 1.00 51.01 H new ATOM 0 HZ3 LYS A 28 8.637 13.578 -8.183 1.00 51.01 H new ATOM 482 N PHE A 29 7.043 12.467 -3.951 1.00 33.40 N ATOM 483 CA PHE A 29 6.291 13.319 -3.022 1.00 5.50 C ATOM 484 C PHE A 29 6.984 13.397 -1.650 1.00 12.11 C ATOM 485 O PHE A 29 8.013 12.764 -1.422 1.00 64.13 O ATOM 486 CB PHE A 29 4.865 12.770 -2.850 1.00 31.51 C ATOM 487 CG PHE A 29 4.188 12.418 -4.155 1.00 73.24 C ATOM 488 CD1 PHE A 29 3.694 13.410 -4.993 1.00 2.23 C ATOM 489 CD2 PHE A 29 4.055 11.090 -4.550 1.00 54.15 C ATOM 490 CE1 PHE A 29 3.083 13.086 -6.190 1.00 51.03 C ATOM 491 CE2 PHE A 29 3.443 10.765 -5.746 1.00 62.41 C ATOM 492 CZ PHE A 29 2.958 11.762 -6.567 1.00 13.01 C ATOM 0 H PHE A 29 7.162 11.506 -3.631 1.00 33.40 H new ATOM 0 HA PHE A 29 6.251 14.324 -3.442 1.00 5.50 H new ATOM 0 HB2 PHE A 29 4.901 11.882 -2.218 1.00 31.51 H new ATOM 0 HB3 PHE A 29 4.261 13.510 -2.326 1.00 31.51 H new ATOM 0 HD1 PHE A 29 3.788 14.447 -4.706 1.00 2.23 H new ATOM 0 HD2 PHE A 29 4.435 10.304 -3.914 1.00 54.15 H new ATOM 0 HE1 PHE A 29 2.703 13.868 -6.831 1.00 51.03 H new ATOM 0 HE2 PHE A 29 3.344 9.730 -6.038 1.00 62.41 H new ATOM 0 HZ PHE A 29 2.482 11.509 -7.502 1.00 13.01 H new ATOM 502 N ALA A 30 6.405 14.165 -0.731 1.00 1.21 N ATOM 503 CA ALA A 30 6.917 14.253 0.644 1.00 11.11 C ATOM 504 C ALA A 30 6.486 13.035 1.487 1.00 35.23 C ATOM 505 O ALA A 30 6.214 13.151 2.686 1.00 72.24 O ATOM 506 CB ALA A 30 6.427 15.546 1.289 1.00 15.15 C ATOM 0 H ALA A 30 5.580 14.738 -0.908 1.00 1.21 H new ATOM 0 HA ALA A 30 8.006 14.255 0.605 1.00 11.11 H new ATOM 0 HB1 ALA A 30 6.807 15.611 2.309 1.00 15.15 H new ATOM 0 HB2 ALA A 30 6.786 16.399 0.713 1.00 15.15 H new ATOM 0 HB3 ALA A 30 5.337 15.553 1.307 1.00 15.15 H new ATOM 512 N GLY A 31 6.474 11.856 0.863 1.00 61.40 N ATOM 513 CA GLY A 31 5.923 10.665 1.499 1.00 24.21 C ATOM 514 C GLY A 31 6.943 9.839 2.279 1.00 2.12 C ATOM 515 O GLY A 31 7.977 9.432 1.745 1.00 71.41 O ATOM 0 H GLY A 31 6.838 11.704 -0.077 1.00 61.40 H new ATOM 0 HA2 GLY A 31 5.123 10.966 2.176 1.00 24.21 H new ATOM 0 HA3 GLY A 31 5.472 10.034 0.733 1.00 24.21 H new ATOM 519 N THR A 32 6.648 9.604 3.557 1.00 32.31 N ATOM 520 CA THR A 32 7.422 8.677 4.392 1.00 41.45 C ATOM 521 C THR A 32 6.678 7.339 4.520 1.00 65.45 C ATOM 522 O THR A 32 5.563 7.289 5.039 1.00 0.20 O ATOM 523 CB THR A 32 7.667 9.251 5.811 1.00 34.40 C ATOM 524 OG1 THR A 32 8.355 10.512 5.728 1.00 41.33 O ATOM 525 CG2 THR A 32 8.487 8.285 6.664 1.00 21.35 C ATOM 0 H THR A 32 5.869 10.047 4.044 1.00 32.31 H new ATOM 0 HA THR A 32 8.386 8.529 3.906 1.00 41.45 H new ATOM 0 HB THR A 32 6.694 9.394 6.282 1.00 34.40 H new ATOM 0 HG1 THR A 32 8.502 10.864 6.631 1.00 41.33 H new ATOM 0 HG21 THR A 32 8.642 8.715 7.653 1.00 21.35 H new ATOM 0 HG22 THR A 32 7.952 7.340 6.759 1.00 21.35 H new ATOM 0 HG23 THR A 32 9.452 8.110 6.189 1.00 21.35 H new ATOM 533 N VAL A 33 7.289 6.262 4.033 1.00 63.43 N ATOM 534 CA VAL A 33 6.648 4.940 4.036 1.00 33.14 C ATOM 535 C VAL A 33 7.284 3.992 5.068 1.00 53.12 C ATOM 536 O VAL A 33 8.507 3.853 5.132 1.00 5.13 O ATOM 537 CB VAL A 33 6.721 4.286 2.631 1.00 14.43 C ATOM 538 CG1 VAL A 33 6.000 2.938 2.614 1.00 11.14 C ATOM 539 CG2 VAL A 33 6.148 5.221 1.562 1.00 55.42 C ATOM 0 H VAL A 33 8.226 6.274 3.631 1.00 63.43 H new ATOM 0 HA VAL A 33 5.606 5.100 4.312 1.00 33.14 H new ATOM 0 HB VAL A 33 7.771 4.109 2.400 1.00 14.43 H new ATOM 0 HG11 VAL A 33 6.067 2.502 1.617 1.00 11.14 H new ATOM 0 HG12 VAL A 33 6.466 2.267 3.336 1.00 11.14 H new ATOM 0 HG13 VAL A 33 4.952 3.082 2.877 1.00 11.14 H new ATOM 0 HG21 VAL A 33 6.211 4.740 0.586 1.00 55.42 H new ATOM 0 HG22 VAL A 33 5.105 5.441 1.792 1.00 55.42 H new ATOM 0 HG23 VAL A 33 6.720 6.149 1.546 1.00 55.42 H new ATOM 549 N THR A 34 6.443 3.350 5.876 1.00 35.24 N ATOM 550 CA THR A 34 6.897 2.326 6.828 1.00 74.32 C ATOM 551 C THR A 34 6.013 1.074 6.751 1.00 71.14 C ATOM 552 O THR A 34 4.885 1.130 6.255 1.00 5.52 O ATOM 553 CB THR A 34 6.912 2.846 8.284 1.00 1.22 C ATOM 554 OG1 THR A 34 7.395 1.818 9.166 1.00 13.14 O ATOM 555 CG2 THR A 34 5.523 3.298 8.730 1.00 70.32 C ATOM 0 H THR A 34 5.437 3.519 5.894 1.00 35.24 H new ATOM 0 HA THR A 34 7.918 2.073 6.543 1.00 74.32 H new ATOM 0 HB THR A 34 7.578 3.708 8.325 1.00 1.22 H new ATOM 0 HG1 THR A 34 7.404 2.154 10.086 1.00 13.14 H new ATOM 0 HG21 THR A 34 5.570 3.657 9.758 1.00 70.32 H new ATOM 0 HG22 THR A 34 5.176 4.101 8.080 1.00 70.32 H new ATOM 0 HG23 THR A 34 4.831 2.458 8.671 1.00 70.32 H new ATOM 563 N TYR A 35 6.515 -0.053 7.254 1.00 43.25 N ATOM 564 CA TYR A 35 5.803 -1.330 7.137 1.00 4.12 C ATOM 565 C TYR A 35 6.123 -2.293 8.294 1.00 4.21 C ATOM 566 O TYR A 35 7.197 -2.232 8.896 1.00 72.11 O ATOM 567 CB TYR A 35 6.137 -1.998 5.792 1.00 12.24 C ATOM 568 CG TYR A 35 7.618 -2.272 5.582 1.00 62.21 C ATOM 569 CD1 TYR A 35 8.491 -1.252 5.210 1.00 42.05 C ATOM 570 CD2 TYR A 35 8.141 -3.551 5.751 1.00 1.21 C ATOM 571 CE1 TYR A 35 9.837 -1.499 5.019 1.00 52.40 C ATOM 572 CE2 TYR A 35 9.486 -3.804 5.561 1.00 71.55 C ATOM 573 CZ TYR A 35 10.329 -2.776 5.194 1.00 63.22 C ATOM 574 OH TYR A 35 11.671 -3.023 4.998 1.00 61.15 O ATOM 0 H TYR A 35 7.407 -0.111 7.745 1.00 43.25 H new ATOM 0 HA TYR A 35 4.737 -1.108 7.187 1.00 4.12 H new ATOM 0 HB2 TYR A 35 5.591 -2.939 5.721 1.00 12.24 H new ATOM 0 HB3 TYR A 35 5.779 -1.360 4.984 1.00 12.24 H new ATOM 0 HD1 TYR A 35 8.109 -0.252 5.069 1.00 42.05 H new ATOM 0 HD2 TYR A 35 7.484 -4.360 6.036 1.00 1.21 H new ATOM 0 HE1 TYR A 35 10.501 -0.696 4.734 1.00 52.40 H new ATOM 0 HE2 TYR A 35 9.875 -4.802 5.699 1.00 71.55 H new ATOM 0 HH TYR A 35 11.857 -3.971 5.162 1.00 61.15 H new ATOM 584 N THR A 36 5.172 -3.177 8.593 1.00 3.11 N ATOM 585 CA THR A 36 5.357 -4.231 9.604 1.00 2.13 C ATOM 586 C THR A 36 4.792 -5.573 9.112 1.00 13.24 C ATOM 587 O THR A 36 3.691 -5.629 8.556 1.00 74.30 O ATOM 588 CB THR A 36 4.693 -3.861 10.956 1.00 74.42 C ATOM 589 OG1 THR A 36 4.732 -4.984 11.853 1.00 54.52 O ATOM 590 CG2 THR A 36 3.250 -3.406 10.768 1.00 23.14 C ATOM 0 H THR A 36 4.255 -3.188 8.147 1.00 3.11 H new ATOM 0 HA THR A 36 6.431 -4.326 9.762 1.00 2.13 H new ATOM 0 HB THR A 36 5.258 -3.032 11.383 1.00 74.42 H new ATOM 0 HG1 THR A 36 4.312 -4.738 12.703 1.00 54.52 H new ATOM 0 HG21 THR A 36 2.818 -3.155 11.737 1.00 23.14 H new ATOM 0 HG22 THR A 36 3.226 -2.528 10.122 1.00 23.14 H new ATOM 0 HG23 THR A 36 2.672 -4.209 10.310 1.00 23.14 H new ATOM 598 N LEU A 37 5.558 -6.649 9.303 1.00 2.22 N ATOM 599 CA LEU A 37 5.153 -7.991 8.853 1.00 20.23 C ATOM 600 C LEU A 37 4.565 -8.835 9.993 1.00 73.40 C ATOM 601 O LEU A 37 5.062 -8.820 11.123 1.00 45.34 O ATOM 602 CB LEU A 37 6.350 -8.740 8.237 1.00 13.10 C ATOM 603 CG LEU A 37 6.717 -8.353 6.795 1.00 70.33 C ATOM 604 CD1 LEU A 37 5.558 -8.651 5.848 1.00 3.31 C ATOM 605 CD2 LEU A 37 7.134 -6.888 6.707 1.00 0.11 C ATOM 0 H LEU A 37 6.466 -6.621 9.767 1.00 2.22 H new ATOM 0 HA LEU A 37 4.377 -7.847 8.101 1.00 20.23 H new ATOM 0 HB2 LEU A 37 7.222 -8.574 8.870 1.00 13.10 H new ATOM 0 HB3 LEU A 37 6.137 -9.809 8.262 1.00 13.10 H new ATOM 0 HG LEU A 37 7.571 -8.958 6.489 1.00 70.33 H new ATOM 0 HD11 LEU A 37 5.837 -8.370 4.832 1.00 3.31 H new ATOM 0 HD12 LEU A 37 5.327 -9.716 5.880 1.00 3.31 H new ATOM 0 HD13 LEU A 37 4.682 -8.080 6.155 1.00 3.31 H new ATOM 0 HD21 LEU A 37 7.388 -6.643 5.676 1.00 0.11 H new ATOM 0 HD22 LEU A 37 6.311 -6.255 7.038 1.00 0.11 H new ATOM 0 HD23 LEU A 37 8.002 -6.718 7.344 1.00 0.11 H new ATOM 617 N ASP A 38 3.512 -9.583 9.680 1.00 71.41 N ATOM 618 CA ASP A 38 2.924 -10.534 10.623 1.00 45.22 C ATOM 619 C ASP A 38 2.452 -11.801 9.888 1.00 75.30 C ATOM 620 O ASP A 38 1.295 -11.900 9.481 1.00 32.31 O ATOM 621 CB ASP A 38 1.757 -9.888 11.381 1.00 65.55 C ATOM 622 CG ASP A 38 1.225 -10.784 12.485 1.00 71.53 C ATOM 623 OD1 ASP A 38 1.831 -10.807 13.575 1.00 41.14 O ATOM 624 OD2 ASP A 38 0.206 -11.472 12.266 1.00 63.15 O ATOM 0 H ASP A 38 3.044 -9.550 8.774 1.00 71.41 H new ATOM 0 HA ASP A 38 3.689 -10.819 11.345 1.00 45.22 H new ATOM 0 HB2 ASP A 38 2.084 -8.941 11.810 1.00 65.55 H new ATOM 0 HB3 ASP A 38 0.953 -9.660 10.681 1.00 65.55 H new ATOM 629 N GLY A 39 3.367 -12.751 9.701 1.00 65.24 N ATOM 630 CA GLY A 39 3.049 -13.983 8.979 1.00 14.42 C ATOM 631 C GLY A 39 2.513 -13.741 7.568 1.00 62.54 C ATOM 632 O GLY A 39 3.279 -13.662 6.605 1.00 70.13 O ATOM 0 H GLY A 39 4.328 -12.693 10.037 1.00 65.24 H new ATOM 0 HA2 GLY A 39 3.945 -14.601 8.918 1.00 14.42 H new ATOM 0 HA3 GLY A 39 2.311 -14.548 9.548 1.00 14.42 H new ATOM 636 N ASN A 40 1.191 -13.607 7.456 1.00 42.13 N ATOM 637 CA ASN A 40 0.519 -13.423 6.163 1.00 44.12 C ATOM 638 C ASN A 40 0.270 -11.938 5.856 1.00 2.33 C ATOM 639 O ASN A 40 0.187 -11.540 4.692 1.00 53.20 O ATOM 640 CB ASN A 40 -0.822 -14.167 6.162 1.00 62.24 C ATOM 641 CG ASN A 40 -0.676 -15.629 6.534 1.00 41.14 C ATOM 642 OD1 ASN A 40 -0.471 -16.484 5.679 1.00 60.25 O ATOM 643 ND2 ASN A 40 -0.784 -15.929 7.815 1.00 13.40 N ATOM 0 H ASN A 40 0.555 -13.622 8.254 1.00 42.13 H new ATOM 0 HA ASN A 40 1.175 -13.827 5.392 1.00 44.12 H new ATOM 0 HB2 ASN A 40 -1.502 -13.683 6.863 1.00 62.24 H new ATOM 0 HB3 ASN A 40 -1.275 -14.091 5.174 1.00 62.24 H new ATOM 0 HD21 ASN A 40 -0.697 -16.898 8.121 1.00 13.40 H new ATOM 0 HD22 ASN A 40 -0.955 -15.192 8.499 1.00 13.40 H new ATOM 650 N ASP A 41 0.172 -11.120 6.904 1.00 32.44 N ATOM 651 CA ASP A 41 -0.238 -9.719 6.758 1.00 12.42 C ATOM 652 C ASP A 41 0.961 -8.762 6.607 1.00 24.41 C ATOM 653 O ASP A 41 2.037 -8.981 7.171 1.00 51.34 O ATOM 654 CB ASP A 41 -1.090 -9.301 7.960 1.00 41.42 C ATOM 655 CG ASP A 41 -2.319 -10.181 8.128 1.00 75.22 C ATOM 656 OD1 ASP A 41 -3.349 -9.912 7.478 1.00 74.31 O ATOM 657 OD2 ASP A 41 -2.263 -11.150 8.912 1.00 65.12 O ATOM 0 H ASP A 41 0.370 -11.401 7.864 1.00 32.44 H new ATOM 0 HA ASP A 41 -0.822 -9.648 5.841 1.00 12.42 H new ATOM 0 HB2 ASP A 41 -0.485 -9.348 8.866 1.00 41.42 H new ATOM 0 HB3 ASP A 41 -1.402 -8.264 7.839 1.00 41.42 H new ATOM 662 N LEU A 42 0.743 -7.699 5.836 1.00 32.23 N ATOM 663 CA LEU A 42 1.745 -6.654 5.595 1.00 64.40 C ATOM 664 C LEU A 42 1.102 -5.263 5.721 1.00 11.33 C ATOM 665 O LEU A 42 0.371 -4.823 4.833 1.00 34.54 O ATOM 666 CB LEU A 42 2.361 -6.824 4.194 1.00 71.14 C ATOM 667 CG LEU A 42 3.251 -5.662 3.709 1.00 52.10 C ATOM 668 CD1 LEU A 42 4.476 -5.492 4.604 1.00 70.34 C ATOM 669 CD2 LEU A 42 3.668 -5.875 2.255 1.00 34.21 C ATOM 0 H LEU A 42 -0.141 -7.534 5.355 1.00 32.23 H new ATOM 0 HA LEU A 42 2.534 -6.747 6.342 1.00 64.40 H new ATOM 0 HB2 LEU A 42 2.954 -7.739 4.186 1.00 71.14 H new ATOM 0 HB3 LEU A 42 1.552 -6.962 3.476 1.00 71.14 H new ATOM 0 HG LEU A 42 2.666 -4.744 3.769 1.00 52.10 H new ATOM 0 HD11 LEU A 42 5.083 -4.665 4.236 1.00 70.34 H new ATOM 0 HD12 LEU A 42 4.155 -5.281 5.624 1.00 70.34 H new ATOM 0 HD13 LEU A 42 5.066 -6.409 4.592 1.00 70.34 H new ATOM 0 HD21 LEU A 42 4.295 -5.045 1.931 1.00 34.21 H new ATOM 0 HD22 LEU A 42 4.227 -6.807 2.170 1.00 34.21 H new ATOM 0 HD23 LEU A 42 2.780 -5.926 1.625 1.00 34.21 H new ATOM 681 N GLU A 43 1.365 -4.583 6.831 1.00 62.23 N ATOM 682 CA GLU A 43 0.790 -3.257 7.080 1.00 33.40 C ATOM 683 C GLU A 43 1.751 -2.143 6.630 1.00 14.30 C ATOM 684 O GLU A 43 2.817 -1.955 7.220 1.00 43.12 O ATOM 685 CB GLU A 43 0.454 -3.117 8.574 1.00 65.40 C ATOM 686 CG GLU A 43 -0.186 -1.787 8.951 1.00 15.32 C ATOM 687 CD GLU A 43 -0.534 -1.701 10.431 1.00 43.11 C ATOM 688 OE1 GLU A 43 -1.640 -2.142 10.816 1.00 73.42 O ATOM 689 OE2 GLU A 43 0.295 -1.197 11.219 1.00 34.24 O ATOM 0 H GLU A 43 1.972 -4.924 7.576 1.00 62.23 H new ATOM 0 HA GLU A 43 -0.125 -3.155 6.496 1.00 33.40 H new ATOM 0 HB2 GLU A 43 -0.219 -3.925 8.860 1.00 65.40 H new ATOM 0 HB3 GLU A 43 1.368 -3.244 9.153 1.00 65.40 H new ATOM 0 HG2 GLU A 43 0.495 -0.975 8.694 1.00 15.32 H new ATOM 0 HG3 GLU A 43 -1.091 -1.643 8.360 1.00 15.32 H new ATOM 696 N ILE A 44 1.375 -1.427 5.569 1.00 15.34 N ATOM 697 CA ILE A 44 2.199 -0.341 5.015 1.00 12.12 C ATOM 698 C ILE A 44 1.526 1.028 5.211 1.00 44.21 C ATOM 699 O ILE A 44 0.524 1.336 4.564 1.00 5.33 O ATOM 700 CB ILE A 44 2.470 -0.555 3.502 1.00 70.12 C ATOM 701 CG1 ILE A 44 3.185 -1.895 3.266 1.00 64.22 C ATOM 702 CG2 ILE A 44 3.292 0.602 2.930 1.00 33.15 C ATOM 703 CD1 ILE A 44 3.455 -2.200 1.805 1.00 31.03 C ATOM 0 H ILE A 44 0.498 -1.578 5.070 1.00 15.34 H new ATOM 0 HA ILE A 44 3.145 -0.357 5.556 1.00 12.12 H new ATOM 0 HB ILE A 44 1.511 -0.581 2.984 1.00 70.12 H new ATOM 0 HG12 ILE A 44 4.131 -1.891 3.807 1.00 64.22 H new ATOM 0 HG13 ILE A 44 2.580 -2.697 3.689 1.00 64.22 H new ATOM 0 HG21 ILE A 44 3.470 0.432 1.868 1.00 33.15 H new ATOM 0 HG22 ILE A 44 2.746 1.536 3.061 1.00 33.15 H new ATOM 0 HG23 ILE A 44 4.246 0.664 3.453 1.00 33.15 H new ATOM 0 HD11 ILE A 44 3.962 -3.162 1.722 1.00 31.03 H new ATOM 0 HD12 ILE A 44 2.511 -2.239 1.261 1.00 31.03 H new ATOM 0 HD13 ILE A 44 4.087 -1.419 1.381 1.00 31.03 H new ATOM 715 N ARG A 45 2.088 1.853 6.088 1.00 4.14 N ATOM 716 CA ARG A 45 1.514 3.170 6.393 1.00 22.34 C ATOM 717 C ARG A 45 2.321 4.293 5.728 1.00 64.44 C ATOM 718 O ARG A 45 3.519 4.451 5.982 1.00 2.32 O ATOM 719 CB ARG A 45 1.457 3.369 7.915 1.00 74.54 C ATOM 720 CG ARG A 45 0.807 4.677 8.366 1.00 14.04 C ATOM 721 CD ARG A 45 0.581 4.688 9.875 1.00 1.13 C ATOM 722 NE ARG A 45 0.095 5.977 10.369 1.00 4.40 N ATOM 723 CZ ARG A 45 -0.520 6.135 11.512 1.00 2.31 C ATOM 724 NH1 ARG A 45 -0.767 5.120 12.272 1.00 33.30 N ATOM 725 NH2 ARG A 45 -0.888 7.312 11.898 1.00 72.22 N ATOM 0 H ARG A 45 2.941 1.638 6.604 1.00 4.14 H new ATOM 0 HA ARG A 45 0.502 3.211 5.990 1.00 22.34 H new ATOM 0 HB2 ARG A 45 0.909 2.536 8.356 1.00 74.54 H new ATOM 0 HB3 ARG A 45 2.472 3.328 8.311 1.00 74.54 H new ATOM 0 HG2 ARG A 45 1.441 5.518 8.084 1.00 14.04 H new ATOM 0 HG3 ARG A 45 -0.145 4.810 7.852 1.00 14.04 H new ATOM 0 HD2 ARG A 45 -0.137 3.911 10.135 1.00 1.13 H new ATOM 0 HD3 ARG A 45 1.515 4.440 10.379 1.00 1.13 H new ATOM 0 HE ARG A 45 0.245 6.801 9.787 1.00 4.40 H new ATOM 0 HH11 ARG A 45 -0.482 4.185 11.982 1.00 33.30 H new ATOM 0 HH12 ARG A 45 -1.247 5.254 13.162 1.00 33.30 H new ATOM 0 HH21 ARG A 45 -0.699 8.124 11.310 1.00 72.22 H new ATOM 0 HH22 ARG A 45 -1.367 7.429 12.791 1.00 72.22 H new ATOM 739 N ILE A 46 1.660 5.065 4.864 1.00 33.20 N ATOM 740 CA ILE A 46 2.306 6.174 4.154 1.00 31.11 C ATOM 741 C ILE A 46 1.852 7.534 4.711 1.00 61.14 C ATOM 742 O ILE A 46 0.653 7.826 4.775 1.00 50.40 O ATOM 743 CB ILE A 46 2.004 6.119 2.636 1.00 75.33 C ATOM 744 CG1 ILE A 46 2.384 4.744 2.061 1.00 74.01 C ATOM 745 CG2 ILE A 46 2.749 7.236 1.902 1.00 50.43 C ATOM 746 CD1 ILE A 46 2.091 4.593 0.582 1.00 53.03 C ATOM 0 H ILE A 46 0.673 4.943 4.637 1.00 33.20 H new ATOM 0 HA ILE A 46 3.380 6.067 4.309 1.00 31.11 H new ATOM 0 HB ILE A 46 0.934 6.267 2.490 1.00 75.33 H new ATOM 0 HG12 ILE A 46 3.447 4.572 2.230 1.00 74.01 H new ATOM 0 HG13 ILE A 46 1.845 3.971 2.609 1.00 74.01 H new ATOM 0 HG21 ILE A 46 2.526 7.183 0.836 1.00 50.43 H new ATOM 0 HG22 ILE A 46 2.431 8.203 2.292 1.00 50.43 H new ATOM 0 HG23 ILE A 46 3.822 7.119 2.054 1.00 50.43 H new ATOM 0 HD11 ILE A 46 2.387 3.597 0.252 1.00 53.03 H new ATOM 0 HD12 ILE A 46 1.024 4.731 0.406 1.00 53.03 H new ATOM 0 HD13 ILE A 46 2.651 5.342 0.022 1.00 53.03 H new ATOM 758 N THR A 47 2.816 8.365 5.098 1.00 34.43 N ATOM 759 CA THR A 47 2.527 9.674 5.701 1.00 4.03 C ATOM 760 C THR A 47 3.147 10.824 4.891 1.00 32.34 C ATOM 761 O THR A 47 4.295 10.738 4.461 1.00 4.11 O ATOM 762 CB THR A 47 3.078 9.742 7.148 1.00 12.52 C ATOM 763 OG1 THR A 47 2.524 8.679 7.940 1.00 1.44 O ATOM 764 CG2 THR A 47 2.765 11.085 7.802 1.00 22.32 C ATOM 0 H THR A 47 3.811 8.159 5.006 1.00 34.43 H new ATOM 0 HA THR A 47 1.443 9.786 5.705 1.00 4.03 H new ATOM 0 HB THR A 47 4.161 9.632 7.095 1.00 12.52 H new ATOM 0 HG1 THR A 47 1.877 9.048 8.577 1.00 1.44 H new ATOM 0 HG21 THR A 47 3.166 11.098 8.816 1.00 22.32 H new ATOM 0 HG22 THR A 47 3.220 11.887 7.221 1.00 22.32 H new ATOM 0 HG23 THR A 47 1.685 11.230 7.837 1.00 22.32 H new ATOM 772 N GLY A 48 2.389 11.905 4.687 1.00 71.24 N ATOM 773 CA GLY A 48 2.940 13.093 4.033 1.00 31.10 C ATOM 774 C GLY A 48 2.444 13.308 2.606 1.00 4.53 C ATOM 775 O GLY A 48 2.625 14.390 2.043 1.00 50.22 O ATOM 0 H GLY A 48 1.409 11.982 4.960 1.00 71.24 H new ATOM 0 HA2 GLY A 48 2.690 13.971 4.629 1.00 31.10 H new ATOM 0 HA3 GLY A 48 4.027 13.016 4.020 1.00 31.10 H new ATOM 779 N VAL A 49 1.822 12.290 2.017 1.00 50.33 N ATOM 780 CA VAL A 49 1.287 12.396 0.653 1.00 2.02 C ATOM 781 C VAL A 49 0.118 13.402 0.571 1.00 33.12 C ATOM 782 O VAL A 49 -0.739 13.446 1.458 1.00 1.43 O ATOM 783 CB VAL A 49 0.822 11.018 0.116 1.00 73.13 C ATOM 784 CG1 VAL A 49 2.019 10.097 -0.117 1.00 75.35 C ATOM 785 CG2 VAL A 49 -0.183 10.367 1.069 1.00 33.30 C ATOM 0 H VAL A 49 1.674 11.382 2.458 1.00 50.33 H new ATOM 0 HA VAL A 49 2.103 12.761 0.030 1.00 2.02 H new ATOM 0 HB VAL A 49 0.323 11.181 -0.839 1.00 73.13 H new ATOM 0 HG11 VAL A 49 1.670 9.135 -0.494 1.00 75.35 H new ATOM 0 HG12 VAL A 49 2.691 10.550 -0.846 1.00 75.35 H new ATOM 0 HG13 VAL A 49 2.551 9.947 0.822 1.00 75.35 H new ATOM 0 HG21 VAL A 49 -0.492 9.402 0.668 1.00 33.30 H new ATOM 0 HG22 VAL A 49 0.282 10.222 2.044 1.00 33.30 H new ATOM 0 HG23 VAL A 49 -1.055 11.012 1.175 1.00 33.30 H new ATOM 795 N PRO A 50 0.076 14.238 -0.489 1.00 15.41 N ATOM 796 CA PRO A 50 -0.998 15.231 -0.669 1.00 72.14 C ATOM 797 C PRO A 50 -2.371 14.598 -0.980 1.00 22.54 C ATOM 798 O PRO A 50 -2.461 13.513 -1.563 1.00 52.01 O ATOM 799 CB PRO A 50 -0.505 16.084 -1.848 1.00 32.11 C ATOM 800 CG PRO A 50 0.432 15.198 -2.598 1.00 21.54 C ATOM 801 CD PRO A 50 1.074 14.296 -1.574 1.00 11.12 C ATOM 0 HA PRO A 50 -1.171 15.801 0.244 1.00 72.14 H new ATOM 0 HB2 PRO A 50 -1.335 16.405 -2.478 1.00 32.11 H new ATOM 0 HB3 PRO A 50 -0.002 16.986 -1.500 1.00 32.11 H new ATOM 0 HG2 PRO A 50 -0.101 14.615 -3.349 1.00 21.54 H new ATOM 0 HG3 PRO A 50 1.184 15.785 -3.125 1.00 21.54 H new ATOM 0 HD2 PRO A 50 1.279 13.307 -1.983 1.00 11.12 H new ATOM 0 HD3 PRO A 50 2.024 14.699 -1.224 1.00 11.12 H new ATOM 809 N GLU A 51 -3.430 15.315 -0.602 1.00 74.45 N ATOM 810 CA GLU A 51 -4.827 14.854 -0.732 1.00 63.55 C ATOM 811 C GLU A 51 -5.148 14.215 -2.099 1.00 74.33 C ATOM 812 O GLU A 51 -5.814 13.182 -2.171 1.00 21.25 O ATOM 813 CB GLU A 51 -5.760 16.046 -0.480 1.00 31.51 C ATOM 814 CG GLU A 51 -5.454 17.256 -1.364 1.00 22.24 C ATOM 815 CD GLU A 51 -6.196 18.509 -0.938 1.00 51.20 C ATOM 816 OE1 GLU A 51 -5.796 19.124 0.072 1.00 40.15 O ATOM 817 OE2 GLU A 51 -7.175 18.893 -1.607 1.00 75.31 O ATOM 0 H GLU A 51 -3.349 16.245 -0.191 1.00 74.45 H new ATOM 0 HA GLU A 51 -4.978 14.067 0.007 1.00 63.55 H new ATOM 0 HB2 GLU A 51 -6.790 15.733 -0.649 1.00 31.51 H new ATOM 0 HB3 GLU A 51 -5.685 16.342 0.566 1.00 31.51 H new ATOM 0 HG2 GLU A 51 -4.382 17.451 -1.343 1.00 22.24 H new ATOM 0 HG3 GLU A 51 -5.715 17.020 -2.396 1.00 22.24 H new ATOM 824 N GLN A 52 -4.671 14.828 -3.177 1.00 43.13 N ATOM 825 CA GLN A 52 -4.970 14.360 -4.540 1.00 31.22 C ATOM 826 C GLN A 52 -4.374 12.968 -4.834 1.00 33.15 C ATOM 827 O GLN A 52 -5.004 12.143 -5.499 1.00 44.12 O ATOM 828 CB GLN A 52 -4.466 15.391 -5.561 1.00 45.42 C ATOM 829 CG GLN A 52 -2.986 15.732 -5.417 1.00 33.04 C ATOM 830 CD GLN A 52 -2.591 16.972 -6.201 1.00 70.40 C ATOM 831 OE1 GLN A 52 -2.648 18.084 -5.688 1.00 1.32 O ATOM 832 NE2 GLN A 52 -2.184 16.797 -7.440 1.00 52.32 N ATOM 0 H GLN A 52 -4.073 15.654 -3.140 1.00 43.13 H new ATOM 0 HA GLN A 52 -6.052 14.258 -4.623 1.00 31.22 H new ATOM 0 HB2 GLN A 52 -4.645 15.009 -6.566 1.00 45.42 H new ATOM 0 HB3 GLN A 52 -5.051 16.305 -5.458 1.00 45.42 H new ATOM 0 HG2 GLN A 52 -2.753 15.884 -4.363 1.00 33.04 H new ATOM 0 HG3 GLN A 52 -2.388 14.886 -5.757 1.00 33.04 H new ATOM 0 HE21 GLN A 52 -2.148 15.858 -7.837 1.00 52.32 H new ATOM 0 HE22 GLN A 52 -1.904 17.600 -8.003 1.00 52.32 H new ATOM 841 N VAL A 53 -3.172 12.709 -4.319 1.00 74.20 N ATOM 842 CA VAL A 53 -2.469 11.443 -4.578 1.00 44.02 C ATOM 843 C VAL A 53 -3.095 10.273 -3.795 1.00 73.33 C ATOM 844 O VAL A 53 -2.970 9.110 -4.183 1.00 41.24 O ATOM 845 CB VAL A 53 -0.965 11.575 -4.227 1.00 70.43 C ATOM 846 CG1 VAL A 53 -0.214 10.275 -4.502 1.00 65.43 C ATOM 847 CG2 VAL A 53 -0.336 12.729 -5.003 1.00 23.33 C ATOM 0 H VAL A 53 -2.661 13.357 -3.719 1.00 74.20 H new ATOM 0 HA VAL A 53 -2.570 11.225 -5.641 1.00 44.02 H new ATOM 0 HB VAL A 53 -0.888 11.786 -3.160 1.00 70.43 H new ATOM 0 HG11 VAL A 53 0.838 10.401 -4.245 1.00 65.43 H new ATOM 0 HG12 VAL A 53 -0.641 9.474 -3.899 1.00 65.43 H new ATOM 0 HG13 VAL A 53 -0.302 10.021 -5.558 1.00 65.43 H new ATOM 0 HG21 VAL A 53 0.720 12.808 -4.745 1.00 23.33 H new ATOM 0 HG22 VAL A 53 -0.435 12.545 -6.073 1.00 23.33 H new ATOM 0 HG23 VAL A 53 -0.843 13.659 -4.746 1.00 23.33 H new ATOM 857 N ARG A 54 -3.781 10.602 -2.702 1.00 34.04 N ATOM 858 CA ARG A 54 -4.508 9.615 -1.885 1.00 33.14 C ATOM 859 C ARG A 54 -5.352 8.667 -2.755 1.00 2.34 C ATOM 860 O ARG A 54 -5.282 7.441 -2.623 1.00 64.11 O ATOM 861 CB ARG A 54 -5.420 10.361 -0.905 1.00 72.34 C ATOM 862 CG ARG A 54 -6.297 9.468 -0.033 1.00 74.04 C ATOM 863 CD ARG A 54 -7.230 10.298 0.845 1.00 2.30 C ATOM 864 NE ARG A 54 -8.140 11.130 0.054 1.00 40.33 N ATOM 865 CZ ARG A 54 -8.320 12.414 0.233 1.00 72.21 C ATOM 866 NH1 ARG A 54 -7.618 13.067 1.102 1.00 72.30 N ATOM 867 NH2 ARG A 54 -9.194 13.055 -0.473 1.00 4.21 N ATOM 0 H ARG A 54 -3.852 11.558 -2.353 1.00 34.04 H new ATOM 0 HA ARG A 54 -3.779 9.009 -1.346 1.00 33.14 H new ATOM 0 HB2 ARG A 54 -4.801 10.981 -0.257 1.00 72.34 H new ATOM 0 HB3 ARG A 54 -6.063 11.034 -1.471 1.00 72.34 H new ATOM 0 HG2 ARG A 54 -6.885 8.802 -0.665 1.00 74.04 H new ATOM 0 HG3 ARG A 54 -5.668 8.838 0.595 1.00 74.04 H new ATOM 0 HD2 ARG A 54 -7.811 9.633 1.484 1.00 2.30 H new ATOM 0 HD3 ARG A 54 -6.637 10.934 1.502 1.00 2.30 H new ATOM 0 HE ARG A 54 -8.671 10.676 -0.689 1.00 40.33 H new ATOM 0 HH11 ARG A 54 -6.914 12.581 1.658 1.00 72.30 H new ATOM 0 HH12 ARG A 54 -7.769 14.067 1.231 1.00 72.30 H new ATOM 0 HH21 ARG A 54 -9.747 12.560 -1.173 1.00 4.21 H new ATOM 0 HH22 ARG A 54 -9.331 14.056 -0.330 1.00 4.21 H new ATOM 881 N LYS A 55 -6.142 9.263 -3.639 1.00 61.31 N ATOM 882 CA LYS A 55 -7.008 8.524 -4.563 1.00 70.22 C ATOM 883 C LYS A 55 -6.207 7.578 -5.472 1.00 63.40 C ATOM 884 O LYS A 55 -6.577 6.420 -5.670 1.00 53.43 O ATOM 885 CB LYS A 55 -7.789 9.523 -5.425 1.00 65.15 C ATOM 886 CG LYS A 55 -8.775 10.387 -4.646 1.00 52.33 C ATOM 887 CD LYS A 55 -9.266 11.595 -5.455 1.00 41.43 C ATOM 888 CE LYS A 55 -9.810 11.211 -6.835 1.00 32.42 C ATOM 889 NZ LYS A 55 -8.726 10.992 -7.832 1.00 4.13 N ATOM 0 H LYS A 55 -6.204 10.276 -3.740 1.00 61.31 H new ATOM 0 HA LYS A 55 -7.689 7.913 -3.971 1.00 70.22 H new ATOM 0 HB2 LYS A 55 -7.081 10.173 -5.939 1.00 65.15 H new ATOM 0 HB3 LYS A 55 -8.333 8.974 -6.194 1.00 65.15 H new ATOM 0 HG2 LYS A 55 -9.631 9.780 -4.351 1.00 52.33 H new ATOM 0 HG3 LYS A 55 -8.301 10.737 -3.729 1.00 52.33 H new ATOM 0 HD2 LYS A 55 -10.046 12.109 -4.893 1.00 41.43 H new ATOM 0 HD3 LYS A 55 -8.445 12.301 -5.578 1.00 41.43 H new ATOM 0 HE2 LYS A 55 -10.408 10.304 -6.747 1.00 32.42 H new ATOM 0 HE3 LYS A 55 -10.475 11.997 -7.192 1.00 32.42 H new ATOM 0 HZ1 LYS A 55 -8.982 11.451 -8.730 1.00 4.13 H new ATOM 0 HZ2 LYS A 55 -7.839 11.400 -7.475 1.00 4.13 H new ATOM 0 HZ3 LYS A 55 -8.599 9.972 -7.989 1.00 4.13 H new ATOM 903 N GLU A 56 -5.104 8.083 -6.011 1.00 12.03 N ATOM 904 CA GLU A 56 -4.297 7.337 -6.980 1.00 10.44 C ATOM 905 C GLU A 56 -3.589 6.141 -6.327 1.00 64.52 C ATOM 906 O GLU A 56 -3.650 5.025 -6.836 1.00 33.41 O ATOM 907 CB GLU A 56 -3.278 8.275 -7.643 1.00 33.55 C ATOM 908 CG GLU A 56 -3.896 9.562 -8.192 1.00 63.43 C ATOM 909 CD GLU A 56 -4.996 9.311 -9.216 1.00 4.05 C ATOM 910 OE1 GLU A 56 -4.679 9.184 -10.420 1.00 11.21 O ATOM 911 OE2 GLU A 56 -6.184 9.249 -8.829 1.00 62.50 O ATOM 0 H GLU A 56 -4.743 9.012 -5.794 1.00 12.03 H new ATOM 0 HA GLU A 56 -4.966 6.939 -7.743 1.00 10.44 H new ATOM 0 HB2 GLU A 56 -2.508 8.533 -6.916 1.00 33.55 H new ATOM 0 HB3 GLU A 56 -2.783 7.744 -8.456 1.00 33.55 H new ATOM 0 HG2 GLU A 56 -4.304 10.143 -7.365 1.00 63.43 H new ATOM 0 HG3 GLU A 56 -3.113 10.167 -8.650 1.00 63.43 H new ATOM 918 N LEU A 57 -2.932 6.372 -5.188 1.00 23.04 N ATOM 919 CA LEU A 57 -2.230 5.295 -4.474 1.00 52.32 C ATOM 920 C LEU A 57 -3.192 4.168 -4.067 1.00 13.31 C ATOM 921 O LEU A 57 -2.810 2.996 -4.043 1.00 72.32 O ATOM 922 CB LEU A 57 -1.503 5.844 -3.240 1.00 5.12 C ATOM 923 CG LEU A 57 -0.354 6.821 -3.534 1.00 15.24 C ATOM 924 CD1 LEU A 57 0.280 7.314 -2.235 1.00 42.20 C ATOM 925 CD2 LEU A 57 0.696 6.172 -4.438 1.00 32.41 C ATOM 0 H LEU A 57 -2.870 7.286 -4.741 1.00 23.04 H new ATOM 0 HA LEU A 57 -1.492 4.877 -5.158 1.00 52.32 H new ATOM 0 HB2 LEU A 57 -2.231 6.347 -2.604 1.00 5.12 H new ATOM 0 HB3 LEU A 57 -1.107 5.004 -2.669 1.00 5.12 H new ATOM 0 HG LEU A 57 -0.767 7.682 -4.061 1.00 15.24 H new ATOM 0 HD11 LEU A 57 1.091 8.005 -2.465 1.00 42.20 H new ATOM 0 HD12 LEU A 57 -0.472 7.825 -1.634 1.00 42.20 H new ATOM 0 HD13 LEU A 57 0.674 6.465 -1.677 1.00 42.20 H new ATOM 0 HD21 LEU A 57 1.499 6.883 -4.632 1.00 32.41 H new ATOM 0 HD22 LEU A 57 1.104 5.289 -3.946 1.00 32.41 H new ATOM 0 HD23 LEU A 57 0.234 5.881 -5.381 1.00 32.41 H new ATOM 937 N ALA A 58 -4.437 4.521 -3.743 1.00 20.31 N ATOM 938 CA ALA A 58 -5.471 3.517 -3.466 1.00 33.35 C ATOM 939 C ALA A 58 -5.723 2.644 -4.706 1.00 14.22 C ATOM 940 O ALA A 58 -5.757 1.415 -4.625 1.00 61.31 O ATOM 941 CB ALA A 58 -6.761 4.193 -3.011 1.00 61.10 C ATOM 0 H ALA A 58 -4.755 5.487 -3.666 1.00 20.31 H new ATOM 0 HA ALA A 58 -5.119 2.871 -2.661 1.00 33.35 H new ATOM 0 HB1 ALA A 58 -7.518 3.435 -2.810 1.00 61.10 H new ATOM 0 HB2 ALA A 58 -6.571 4.766 -2.103 1.00 61.10 H new ATOM 0 HB3 ALA A 58 -7.117 4.862 -3.794 1.00 61.10 H new ATOM 947 N LYS A 59 -5.880 3.302 -5.856 1.00 33.41 N ATOM 948 CA LYS A 59 -6.020 2.619 -7.148 1.00 71.43 C ATOM 949 C LYS A 59 -4.809 1.705 -7.431 1.00 22.31 C ATOM 950 O LYS A 59 -4.965 0.556 -7.852 1.00 21.12 O ATOM 951 CB LYS A 59 -6.178 3.671 -8.261 1.00 61.54 C ATOM 952 CG LYS A 59 -6.125 3.112 -9.680 1.00 72.40 C ATOM 953 CD LYS A 59 -6.379 4.201 -10.724 1.00 15.32 C ATOM 954 CE LYS A 59 -5.405 5.374 -10.593 1.00 54.12 C ATOM 955 NZ LYS A 59 -3.994 4.962 -10.811 1.00 3.41 N ATOM 0 H LYS A 59 -5.914 4.319 -5.921 1.00 33.41 H new ATOM 0 HA LYS A 59 -6.906 1.985 -7.118 1.00 71.43 H new ATOM 0 HB2 LYS A 59 -7.129 4.186 -8.123 1.00 61.54 H new ATOM 0 HB3 LYS A 59 -5.392 4.418 -8.150 1.00 61.54 H new ATOM 0 HG2 LYS A 59 -5.150 2.658 -9.857 1.00 72.40 H new ATOM 0 HG3 LYS A 59 -6.869 2.322 -9.789 1.00 72.40 H new ATOM 0 HD2 LYS A 59 -6.293 3.771 -11.722 1.00 15.32 H new ATOM 0 HD3 LYS A 59 -7.400 4.567 -10.622 1.00 15.32 H new ATOM 0 HE2 LYS A 59 -5.671 6.147 -11.314 1.00 54.12 H new ATOM 0 HE3 LYS A 59 -5.503 5.816 -9.601 1.00 54.12 H new ATOM 0 HZ1 LYS A 59 -3.368 5.539 -10.215 1.00 3.41 H new ATOM 0 HZ2 LYS A 59 -3.883 3.959 -10.560 1.00 3.41 H new ATOM 0 HZ3 LYS A 59 -3.743 5.099 -11.811 1.00 3.41 H new ATOM 969 N GLU A 60 -3.604 2.224 -7.194 1.00 13.20 N ATOM 970 CA GLU A 60 -2.370 1.446 -7.363 1.00 52.23 C ATOM 971 C GLU A 60 -2.336 0.223 -6.436 1.00 12.20 C ATOM 972 O GLU A 60 -1.924 -0.863 -6.847 1.00 24.23 O ATOM 973 CB GLU A 60 -1.139 2.343 -7.126 1.00 74.34 C ATOM 974 CG GLU A 60 -0.597 3.013 -8.393 1.00 21.05 C ATOM 975 CD GLU A 60 -1.665 3.726 -9.211 1.00 14.04 C ATOM 976 OE1 GLU A 60 -2.359 3.054 -10.005 1.00 15.11 O ATOM 977 OE2 GLU A 60 -1.808 4.960 -9.088 1.00 71.53 O ATOM 0 H GLU A 60 -3.453 3.184 -6.883 1.00 13.20 H new ATOM 0 HA GLU A 60 -2.347 1.076 -8.388 1.00 52.23 H new ATOM 0 HB2 GLU A 60 -1.400 3.116 -6.403 1.00 74.34 H new ATOM 0 HB3 GLU A 60 -0.347 1.743 -6.679 1.00 74.34 H new ATOM 0 HG2 GLU A 60 0.174 3.731 -8.113 1.00 21.05 H new ATOM 0 HG3 GLU A 60 -0.118 2.258 -9.016 1.00 21.05 H new ATOM 984 N ALA A 61 -2.782 0.399 -5.191 1.00 45.33 N ATOM 985 CA ALA A 61 -2.848 -0.706 -4.227 1.00 10.10 C ATOM 986 C ALA A 61 -3.732 -1.850 -4.749 1.00 41.04 C ATOM 987 O ALA A 61 -3.386 -3.029 -4.629 1.00 25.20 O ATOM 988 CB ALA A 61 -3.364 -0.204 -2.882 1.00 24.10 C ATOM 0 H ALA A 61 -3.103 1.295 -4.825 1.00 45.33 H new ATOM 0 HA ALA A 61 -1.840 -1.098 -4.094 1.00 10.10 H new ATOM 0 HB1 ALA A 61 -3.408 -1.034 -2.177 1.00 24.10 H new ATOM 0 HB2 ALA A 61 -2.692 0.564 -2.498 1.00 24.10 H new ATOM 0 HB3 ALA A 61 -4.361 0.217 -3.009 1.00 24.10 H new ATOM 994 N GLU A 62 -4.872 -1.491 -5.340 1.00 2.24 N ATOM 995 CA GLU A 62 -5.788 -2.480 -5.919 1.00 12.34 C ATOM 996 C GLU A 62 -5.146 -3.205 -7.115 1.00 23.12 C ATOM 997 O GLU A 62 -5.272 -4.424 -7.259 1.00 45.20 O ATOM 998 CB GLU A 62 -7.099 -1.809 -6.351 1.00 74.24 C ATOM 999 CG GLU A 62 -7.879 -1.175 -5.203 1.00 21.32 C ATOM 1000 CD GLU A 62 -9.255 -0.686 -5.628 1.00 54.12 C ATOM 1001 OE1 GLU A 62 -10.183 -1.521 -5.720 1.00 51.33 O ATOM 1002 OE2 GLU A 62 -9.423 0.524 -5.873 1.00 41.31 O ATOM 0 H GLU A 62 -5.185 -0.524 -5.431 1.00 2.24 H new ATOM 0 HA GLU A 62 -6.005 -3.221 -5.150 1.00 12.34 H new ATOM 0 HB2 GLU A 62 -6.875 -1.042 -7.092 1.00 74.24 H new ATOM 0 HB3 GLU A 62 -7.731 -2.550 -6.840 1.00 74.24 H new ATOM 0 HG2 GLU A 62 -7.989 -1.902 -4.399 1.00 21.32 H new ATOM 0 HG3 GLU A 62 -7.309 -0.338 -4.800 1.00 21.32 H new ATOM 1009 N ARG A 63 -4.455 -2.451 -7.970 1.00 51.13 N ATOM 1010 CA ARG A 63 -3.751 -3.040 -9.115 1.00 10.14 C ATOM 1011 C ARG A 63 -2.610 -3.964 -8.650 1.00 21.31 C ATOM 1012 O ARG A 63 -2.376 -5.022 -9.239 1.00 2.43 O ATOM 1013 CB ARG A 63 -3.231 -1.940 -10.055 1.00 14.10 C ATOM 1014 CG ARG A 63 -2.385 -2.462 -11.219 1.00 22.53 C ATOM 1015 CD ARG A 63 -2.342 -1.478 -12.387 1.00 52.11 C ATOM 1016 NE ARG A 63 -1.994 -0.119 -11.973 1.00 14.22 N ATOM 1017 CZ ARG A 63 -1.870 0.887 -12.802 1.00 10.44 C ATOM 1018 NH1 ARG A 63 -1.989 0.711 -14.079 1.00 24.54 N ATOM 1019 NH2 ARG A 63 -1.618 2.070 -12.355 1.00 31.10 N ATOM 0 H ARG A 63 -4.366 -1.438 -7.895 1.00 51.13 H new ATOM 0 HA ARG A 63 -4.460 -3.652 -9.672 1.00 10.14 H new ATOM 0 HB2 ARG A 63 -4.081 -1.388 -10.456 1.00 14.10 H new ATOM 0 HB3 ARG A 63 -2.637 -1.233 -9.476 1.00 14.10 H new ATOM 0 HG2 ARG A 63 -1.370 -2.655 -10.871 1.00 22.53 H new ATOM 0 HG3 ARG A 63 -2.790 -3.414 -11.563 1.00 22.53 H new ATOM 0 HD2 ARG A 63 -1.616 -1.826 -13.122 1.00 52.11 H new ATOM 0 HD3 ARG A 63 -3.314 -1.465 -12.880 1.00 52.11 H new ATOM 0 HE ARG A 63 -1.839 0.055 -10.980 1.00 14.22 H new ATOM 0 HH11 ARG A 63 -2.182 -0.219 -14.450 1.00 24.54 H new ATOM 0 HH12 ARG A 63 -1.890 1.503 -14.714 1.00 24.54 H new ATOM 0 HH21 ARG A 63 -1.514 2.225 -11.352 1.00 31.10 H new ATOM 0 HH22 ARG A 63 -1.522 2.851 -13.004 1.00 31.10 H new ATOM 1033 N LEU A 64 -1.918 -3.568 -7.581 1.00 55.14 N ATOM 1034 CA LEU A 64 -0.915 -4.431 -6.939 1.00 1.35 C ATOM 1035 C LEU A 64 -1.546 -5.761 -6.500 1.00 41.21 C ATOM 1036 O LEU A 64 -0.967 -6.832 -6.694 1.00 11.21 O ATOM 1037 CB LEU A 64 -0.296 -3.719 -5.721 1.00 65.35 C ATOM 1038 CG LEU A 64 0.698 -2.590 -6.046 1.00 21.32 C ATOM 1039 CD1 LEU A 64 1.059 -1.805 -4.786 1.00 52.13 C ATOM 1040 CD2 LEU A 64 1.957 -3.161 -6.696 1.00 41.11 C ATOM 0 H LEU A 64 -2.031 -2.656 -7.138 1.00 55.14 H new ATOM 0 HA LEU A 64 -0.130 -4.639 -7.666 1.00 1.35 H new ATOM 0 HB2 LEU A 64 -1.103 -3.306 -5.116 1.00 65.35 H new ATOM 0 HB3 LEU A 64 0.214 -4.462 -5.108 1.00 65.35 H new ATOM 0 HG LEU A 64 0.221 -1.907 -6.749 1.00 21.32 H new ATOM 0 HD11 LEU A 64 1.763 -1.012 -5.040 1.00 52.13 H new ATOM 0 HD12 LEU A 64 0.157 -1.366 -4.360 1.00 52.13 H new ATOM 0 HD13 LEU A 64 1.515 -2.476 -4.058 1.00 52.13 H new ATOM 0 HD21 LEU A 64 2.650 -2.350 -6.920 1.00 41.11 H new ATOM 0 HD22 LEU A 64 2.431 -3.866 -6.013 1.00 41.11 H new ATOM 0 HD23 LEU A 64 1.689 -3.675 -7.619 1.00 41.11 H new ATOM 1052 N ALA A 65 -2.740 -5.678 -5.918 1.00 33.20 N ATOM 1053 CA ALA A 65 -3.483 -6.867 -5.499 1.00 11.23 C ATOM 1054 C ALA A 65 -3.787 -7.795 -6.683 1.00 52.24 C ATOM 1055 O ALA A 65 -3.500 -8.990 -6.635 1.00 23.12 O ATOM 1056 CB ALA A 65 -4.775 -6.461 -4.802 1.00 74.35 C ATOM 0 H ALA A 65 -3.216 -4.797 -5.725 1.00 33.20 H new ATOM 0 HA ALA A 65 -2.856 -7.420 -4.800 1.00 11.23 H new ATOM 0 HB1 ALA A 65 -5.319 -7.354 -4.495 1.00 74.35 H new ATOM 0 HB2 ALA A 65 -4.541 -5.859 -3.924 1.00 74.35 H new ATOM 0 HB3 ALA A 65 -5.391 -5.879 -5.488 1.00 74.35 H new ATOM 1062 N LYS A 66 -4.362 -7.243 -7.751 1.00 72.03 N ATOM 1063 CA LYS A 66 -4.710 -8.035 -8.938 1.00 63.21 C ATOM 1064 C LYS A 66 -3.463 -8.545 -9.684 1.00 54.21 C ATOM 1065 O LYS A 66 -3.521 -9.568 -10.368 1.00 50.14 O ATOM 1066 CB LYS A 66 -5.598 -7.217 -9.891 1.00 10.31 C ATOM 1067 CG LYS A 66 -6.998 -6.945 -9.348 1.00 45.01 C ATOM 1068 CD LYS A 66 -7.716 -8.241 -8.973 1.00 71.21 C ATOM 1069 CE LYS A 66 -9.172 -8.002 -8.596 1.00 71.02 C ATOM 1070 NZ LYS A 66 -9.987 -7.576 -9.764 1.00 21.35 N ATOM 0 H LYS A 66 -4.598 -6.253 -7.822 1.00 72.03 H new ATOM 0 HA LYS A 66 -5.263 -8.907 -8.589 1.00 63.21 H new ATOM 0 HB2 LYS A 66 -5.109 -6.266 -10.101 1.00 10.31 H new ATOM 0 HB3 LYS A 66 -5.683 -7.748 -10.839 1.00 10.31 H new ATOM 0 HG2 LYS A 66 -6.930 -6.299 -8.473 1.00 45.01 H new ATOM 0 HG3 LYS A 66 -7.581 -6.408 -10.096 1.00 45.01 H new ATOM 0 HD2 LYS A 66 -7.669 -8.936 -9.811 1.00 71.21 H new ATOM 0 HD3 LYS A 66 -7.199 -8.713 -8.138 1.00 71.21 H new ATOM 0 HE2 LYS A 66 -9.592 -8.915 -8.175 1.00 71.02 H new ATOM 0 HE3 LYS A 66 -9.225 -7.239 -7.819 1.00 71.02 H new ATOM 0 HZ1 LYS A 66 -10.996 -7.620 -9.518 1.00 21.35 H new ATOM 0 HZ2 LYS A 66 -9.737 -6.601 -10.025 1.00 21.35 H new ATOM 0 HZ3 LYS A 66 -9.799 -8.209 -10.568 1.00 21.35 H new ATOM 1084 N GLU A 67 -2.347 -7.831 -9.548 1.00 53.42 N ATOM 1085 CA GLU A 67 -1.084 -8.233 -10.183 1.00 32.11 C ATOM 1086 C GLU A 67 -0.648 -9.641 -9.738 1.00 64.41 C ATOM 1087 O GLU A 67 -0.342 -10.501 -10.566 1.00 43.24 O ATOM 1088 CB GLU A 67 0.016 -7.207 -9.858 1.00 30.32 C ATOM 1089 CG GLU A 67 1.394 -7.560 -10.421 1.00 1.11 C ATOM 1090 CD GLU A 67 1.435 -7.605 -11.944 1.00 3.12 C ATOM 1091 OE1 GLU A 67 1.175 -8.680 -12.522 1.00 32.24 O ATOM 1092 OE2 GLU A 67 1.746 -6.565 -12.568 1.00 21.41 O ATOM 0 H GLU A 67 -2.287 -6.970 -9.004 1.00 53.42 H new ATOM 0 HA GLU A 67 -1.244 -8.263 -11.261 1.00 32.11 H new ATOM 0 HB2 GLU A 67 -0.284 -6.234 -10.248 1.00 30.32 H new ATOM 0 HB3 GLU A 67 0.094 -7.106 -8.775 1.00 30.32 H new ATOM 0 HG2 GLU A 67 2.121 -6.828 -10.067 1.00 1.11 H new ATOM 0 HG3 GLU A 67 1.701 -8.529 -10.028 1.00 1.11 H new ATOM 1099 N PHE A 68 -0.623 -9.876 -8.427 1.00 63.13 N ATOM 1100 CA PHE A 68 -0.235 -11.187 -7.880 1.00 72.34 C ATOM 1101 C PHE A 68 -1.434 -11.948 -7.292 1.00 64.10 C ATOM 1102 O PHE A 68 -1.264 -13.002 -6.683 1.00 71.03 O ATOM 1103 CB PHE A 68 0.852 -11.017 -6.811 1.00 53.32 C ATOM 1104 CG PHE A 68 2.160 -10.516 -7.366 1.00 14.23 C ATOM 1105 CD1 PHE A 68 3.086 -11.401 -7.901 1.00 32.34 C ATOM 1106 CD2 PHE A 68 2.462 -9.161 -7.358 1.00 61.33 C ATOM 1107 CE1 PHE A 68 4.284 -10.943 -8.414 1.00 4.34 C ATOM 1108 CE2 PHE A 68 3.659 -8.702 -7.870 1.00 74.20 C ATOM 1109 CZ PHE A 68 4.570 -9.591 -8.398 1.00 41.31 C ATOM 0 H PHE A 68 -0.865 -9.181 -7.721 1.00 63.13 H new ATOM 0 HA PHE A 68 0.157 -11.778 -8.708 1.00 72.34 H new ATOM 0 HB2 PHE A 68 0.498 -10.322 -6.050 1.00 53.32 H new ATOM 0 HB3 PHE A 68 1.018 -11.974 -6.316 1.00 53.32 H new ATOM 0 HD1 PHE A 68 2.868 -12.459 -7.916 1.00 32.34 H new ATOM 0 HD2 PHE A 68 1.753 -8.458 -6.947 1.00 61.33 H new ATOM 0 HE1 PHE A 68 4.997 -11.641 -8.827 1.00 4.34 H new ATOM 0 HE2 PHE A 68 3.882 -7.645 -7.857 1.00 74.20 H new ATOM 0 HZ PHE A 68 5.506 -9.232 -8.799 1.00 41.31 H new ATOM 1119 N ASN A 69 -2.638 -11.412 -7.486 1.00 70.12 N ATOM 1120 CA ASN A 69 -3.872 -12.031 -6.976 1.00 11.13 C ATOM 1121 C ASN A 69 -3.827 -12.193 -5.442 1.00 52.40 C ATOM 1122 O ASN A 69 -3.775 -13.308 -4.916 1.00 34.13 O ATOM 1123 CB ASN A 69 -4.125 -13.383 -7.669 1.00 0.13 C ATOM 1124 CG ASN A 69 -5.482 -13.978 -7.332 1.00 74.43 C ATOM 1125 OD1 ASN A 69 -6.480 -13.678 -7.975 1.00 40.12 O ATOM 1126 ND2 ASN A 69 -5.532 -14.824 -6.324 1.00 44.14 N ATOM 0 H ASN A 69 -2.791 -10.543 -7.997 1.00 70.12 H new ATOM 0 HA ASN A 69 -4.704 -11.366 -7.210 1.00 11.13 H new ATOM 0 HB2 ASN A 69 -4.050 -13.251 -8.748 1.00 0.13 H new ATOM 0 HB3 ASN A 69 -3.344 -14.086 -7.379 1.00 0.13 H new ATOM 0 HD21 ASN A 69 -6.420 -15.250 -6.059 1.00 44.14 H new ATOM 0 HD22 ASN A 69 -4.683 -15.053 -5.808 1.00 44.14 H new ATOM 1133 N ILE A 70 -3.827 -11.066 -4.732 1.00 25.13 N ATOM 1134 CA ILE A 70 -3.791 -11.060 -3.261 1.00 23.10 C ATOM 1135 C ILE A 70 -4.884 -10.143 -2.680 1.00 13.34 C ATOM 1136 O ILE A 70 -5.560 -9.417 -3.416 1.00 21.21 O ATOM 1137 CB ILE A 70 -2.402 -10.608 -2.727 1.00 70.13 C ATOM 1138 CG1 ILE A 70 -2.090 -9.167 -3.166 1.00 25.45 C ATOM 1139 CG2 ILE A 70 -1.305 -11.563 -3.199 1.00 54.33 C ATOM 1140 CD1 ILE A 70 -0.756 -8.641 -2.672 1.00 34.44 C ATOM 0 H ILE A 70 -3.852 -10.136 -5.151 1.00 25.13 H new ATOM 0 HA ILE A 70 -3.976 -12.084 -2.937 1.00 23.10 H new ATOM 0 HB ILE A 70 -2.434 -10.633 -1.638 1.00 70.13 H new ATOM 0 HG12 ILE A 70 -2.106 -9.119 -4.255 1.00 25.45 H new ATOM 0 HG13 ILE A 70 -2.882 -8.510 -2.807 1.00 25.45 H new ATOM 0 HG21 ILE A 70 -0.341 -11.229 -2.814 1.00 54.33 H new ATOM 0 HG22 ILE A 70 -1.514 -12.567 -2.831 1.00 54.33 H new ATOM 0 HG23 ILE A 70 -1.277 -11.574 -4.289 1.00 54.33 H new ATOM 0 HD11 ILE A 70 -0.614 -7.620 -3.026 1.00 34.44 H new ATOM 0 HD12 ILE A 70 -0.741 -8.653 -1.582 1.00 34.44 H new ATOM 0 HD13 ILE A 70 0.047 -9.272 -3.053 1.00 34.44 H new ATOM 1152 N THR A 71 -5.053 -10.180 -1.361 1.00 61.44 N ATOM 1153 CA THR A 71 -6.070 -9.359 -0.684 1.00 22.12 C ATOM 1154 C THR A 71 -5.464 -8.058 -0.137 1.00 3.54 C ATOM 1155 O THR A 71 -4.389 -8.070 0.460 1.00 74.23 O ATOM 1156 CB THR A 71 -6.735 -10.128 0.490 1.00 23.41 C ATOM 1157 OG1 THR A 71 -7.328 -11.350 0.018 1.00 14.15 O ATOM 1158 CG2 THR A 71 -7.806 -9.276 1.170 1.00 2.51 C ATOM 0 H THR A 71 -4.503 -10.767 -0.734 1.00 61.44 H new ATOM 0 HA THR A 71 -6.825 -9.122 -1.433 1.00 22.12 H new ATOM 0 HB THR A 71 -5.956 -10.359 1.217 1.00 23.41 H new ATOM 0 HG1 THR A 71 -7.742 -11.824 0.769 1.00 14.15 H new ATOM 0 HG21 THR A 71 -8.254 -9.840 1.988 1.00 2.51 H new ATOM 0 HG22 THR A 71 -7.352 -8.366 1.563 1.00 2.51 H new ATOM 0 HG23 THR A 71 -8.577 -9.013 0.445 1.00 2.51 H new ATOM 1166 N VAL A 72 -6.156 -6.936 -0.337 1.00 14.24 N ATOM 1167 CA VAL A 72 -5.675 -5.641 0.162 1.00 4.14 C ATOM 1168 C VAL A 72 -6.828 -4.736 0.630 1.00 22.03 C ATOM 1169 O VAL A 72 -7.884 -4.669 -0.003 1.00 54.12 O ATOM 1170 CB VAL A 72 -4.850 -4.884 -0.915 1.00 60.22 C ATOM 1171 CG1 VAL A 72 -5.714 -4.525 -2.125 1.00 11.20 C ATOM 1172 CG2 VAL A 72 -4.199 -3.635 -0.321 1.00 4.11 C ATOM 0 H VAL A 72 -7.044 -6.894 -0.836 1.00 14.24 H new ATOM 0 HA VAL A 72 -5.036 -5.868 1.015 1.00 4.14 H new ATOM 0 HB VAL A 72 -4.059 -5.551 -1.258 1.00 60.22 H new ATOM 0 HG11 VAL A 72 -5.108 -3.996 -2.861 1.00 11.20 H new ATOM 0 HG12 VAL A 72 -6.113 -5.436 -2.571 1.00 11.20 H new ATOM 0 HG13 VAL A 72 -6.538 -3.886 -1.807 1.00 11.20 H new ATOM 0 HG21 VAL A 72 -3.627 -3.121 -1.093 1.00 4.11 H new ATOM 0 HG22 VAL A 72 -4.972 -2.969 0.062 1.00 4.11 H new ATOM 0 HG23 VAL A 72 -3.533 -3.924 0.493 1.00 4.11 H new ATOM 1182 N THR A 73 -6.615 -4.053 1.753 1.00 53.04 N ATOM 1183 CA THR A 73 -7.550 -3.031 2.248 1.00 45.51 C ATOM 1184 C THR A 73 -6.794 -1.724 2.517 1.00 50.45 C ATOM 1185 O THR A 73 -5.565 -1.689 2.444 1.00 63.24 O ATOM 1186 CB THR A 73 -8.265 -3.466 3.554 1.00 31.23 C ATOM 1187 OG1 THR A 73 -7.317 -3.559 4.630 1.00 41.51 O ATOM 1188 CG2 THR A 73 -8.978 -4.808 3.384 1.00 35.04 C ATOM 0 H THR A 73 -5.796 -4.187 2.346 1.00 53.04 H new ATOM 0 HA THR A 73 -8.307 -2.892 1.476 1.00 45.51 H new ATOM 0 HB THR A 73 -9.013 -2.709 3.788 1.00 31.23 H new ATOM 0 HG1 THR A 73 -7.309 -4.474 4.980 1.00 41.51 H new ATOM 0 HG21 THR A 73 -9.468 -5.081 4.319 1.00 35.04 H new ATOM 0 HG22 THR A 73 -9.724 -4.726 2.594 1.00 35.04 H new ATOM 0 HG23 THR A 73 -8.251 -5.575 3.118 1.00 35.04 H new ATOM 1196 N TYR A 74 -7.512 -0.651 2.832 1.00 61.11 N ATOM 1197 CA TYR A 74 -6.860 0.632 3.117 1.00 24.34 C ATOM 1198 C TYR A 74 -7.605 1.444 4.191 1.00 35.41 C ATOM 1199 O TYR A 74 -8.755 1.846 4.008 1.00 3.20 O ATOM 1200 CB TYR A 74 -6.688 1.456 1.824 1.00 51.31 C ATOM 1201 CG TYR A 74 -7.951 1.608 0.985 1.00 24.50 C ATOM 1202 CD1 TYR A 74 -8.302 0.651 0.036 1.00 4.12 C ATOM 1203 CD2 TYR A 74 -8.781 2.715 1.131 1.00 40.23 C ATOM 1204 CE1 TYR A 74 -9.442 0.789 -0.734 1.00 4.44 C ATOM 1205 CE2 TYR A 74 -9.922 2.861 0.365 1.00 31.14 C ATOM 1206 CZ TYR A 74 -10.248 1.895 -0.568 1.00 42.03 C ATOM 1207 OH TYR A 74 -11.385 2.036 -1.337 1.00 70.11 O ATOM 0 H TYR A 74 -8.530 -0.638 2.897 1.00 61.11 H new ATOM 0 HA TYR A 74 -5.873 0.406 3.521 1.00 24.34 H new ATOM 0 HB2 TYR A 74 -6.324 2.449 2.089 1.00 51.31 H new ATOM 0 HB3 TYR A 74 -5.917 0.987 1.212 1.00 51.31 H new ATOM 0 HD1 TYR A 74 -7.672 -0.215 -0.101 1.00 4.12 H new ATOM 0 HD2 TYR A 74 -8.529 3.474 1.856 1.00 40.23 H new ATOM 0 HE1 TYR A 74 -9.700 0.034 -1.462 1.00 4.44 H new ATOM 0 HE2 TYR A 74 -10.556 3.726 0.495 1.00 31.14 H new ATOM 0 HH TYR A 74 -11.842 2.869 -1.096 1.00 70.11 H new ATOM 1217 N THR A 75 -6.935 1.656 5.323 1.00 43.32 N ATOM 1218 CA THR A 75 -7.440 2.526 6.391 1.00 61.50 C ATOM 1219 C THR A 75 -6.894 3.948 6.216 1.00 53.21 C ATOM 1220 O THR A 75 -5.728 4.219 6.502 1.00 2.42 O ATOM 1221 CB THR A 75 -7.037 1.998 7.793 1.00 54.22 C ATOM 1222 OG1 THR A 75 -7.588 0.686 8.008 1.00 1.13 O ATOM 1223 CG2 THR A 75 -7.516 2.934 8.899 1.00 64.32 C ATOM 0 H THR A 75 -6.030 1.233 5.528 1.00 43.32 H new ATOM 0 HA THR A 75 -8.528 2.533 6.321 1.00 61.50 H new ATOM 0 HB THR A 75 -5.949 1.950 7.827 1.00 54.22 H new ATOM 0 HG1 THR A 75 -7.326 0.362 8.895 1.00 1.13 H new ATOM 0 HG21 THR A 75 -7.217 2.535 9.868 1.00 64.32 H new ATOM 0 HG22 THR A 75 -7.071 3.919 8.760 1.00 64.32 H new ATOM 0 HG23 THR A 75 -8.602 3.017 8.860 1.00 64.32 H new ATOM 1231 N ILE A 76 -7.736 4.858 5.743 1.00 21.55 N ATOM 1232 CA ILE A 76 -7.297 6.226 5.444 1.00 5.33 C ATOM 1233 C ILE A 76 -7.918 7.247 6.406 1.00 25.04 C ATOM 1234 O ILE A 76 -9.135 7.274 6.603 1.00 54.23 O ATOM 1235 CB ILE A 76 -7.637 6.623 3.984 1.00 41.21 C ATOM 1236 CG1 ILE A 76 -6.987 5.634 2.999 1.00 14.52 C ATOM 1237 CG2 ILE A 76 -7.179 8.053 3.695 1.00 64.15 C ATOM 1238 CD1 ILE A 76 -7.221 5.968 1.537 1.00 65.43 C ATOM 0 H ILE A 76 -8.723 4.680 5.557 1.00 21.55 H new ATOM 0 HA ILE A 76 -6.215 6.239 5.574 1.00 5.33 H new ATOM 0 HB ILE A 76 -8.718 6.581 3.854 1.00 41.21 H new ATOM 0 HG12 ILE A 76 -5.914 5.605 3.186 1.00 14.52 H new ATOM 0 HG13 ILE A 76 -7.373 4.634 3.198 1.00 14.52 H new ATOM 0 HG21 ILE A 76 -7.426 8.313 2.666 1.00 64.15 H new ATOM 0 HG22 ILE A 76 -7.683 8.741 4.374 1.00 64.15 H new ATOM 0 HG23 ILE A 76 -6.101 8.126 3.839 1.00 64.15 H new ATOM 0 HD11 ILE A 76 -6.730 5.223 0.911 1.00 65.43 H new ATOM 0 HD12 ILE A 76 -8.291 5.968 1.331 1.00 65.43 H new ATOM 0 HD13 ILE A 76 -6.810 6.953 1.319 1.00 65.43 H new ATOM 1250 N ARG A 77 -7.072 8.095 6.992 1.00 52.22 N ATOM 1251 CA ARG A 77 -7.529 9.131 7.923 1.00 43.33 C ATOM 1252 C ARG A 77 -7.616 10.500 7.228 1.00 62.02 C ATOM 1253 O ARG A 77 -6.598 11.127 6.922 1.00 61.30 O ATOM 1254 CB ARG A 77 -6.594 9.203 9.142 1.00 60.25 C ATOM 1255 CG ARG A 77 -6.498 7.888 9.915 1.00 53.41 C ATOM 1256 CD ARG A 77 -7.862 7.422 10.419 1.00 12.13 C ATOM 1257 NE ARG A 77 -7.800 6.090 11.016 1.00 63.42 N ATOM 1258 CZ ARG A 77 -8.838 5.437 11.473 1.00 65.34 C ATOM 1259 NH1 ARG A 77 -10.020 5.963 11.451 1.00 52.32 N ATOM 1260 NH2 ARG A 77 -8.688 4.249 11.962 1.00 23.14 N ATOM 0 H ARG A 77 -6.064 8.086 6.839 1.00 52.22 H new ATOM 0 HA ARG A 77 -8.529 8.864 8.264 1.00 43.33 H new ATOM 0 HB2 ARG A 77 -5.597 9.493 8.809 1.00 60.25 H new ATOM 0 HB3 ARG A 77 -6.946 9.986 9.814 1.00 60.25 H new ATOM 0 HG2 ARG A 77 -6.067 7.120 9.273 1.00 53.41 H new ATOM 0 HG3 ARG A 77 -5.822 8.013 10.761 1.00 53.41 H new ATOM 0 HD2 ARG A 77 -8.238 8.132 11.156 1.00 12.13 H new ATOM 0 HD3 ARG A 77 -8.571 7.416 9.591 1.00 12.13 H new ATOM 0 HE ARG A 77 -6.887 5.639 11.081 1.00 63.42 H new ATOM 0 HH11 ARG A 77 -10.154 6.901 11.073 1.00 52.32 H new ATOM 0 HH12 ARG A 77 -10.818 5.440 11.811 1.00 52.32 H new ATOM 0 HH21 ARG A 77 -7.762 3.823 11.991 1.00 23.14 H new ATOM 0 HH22 ARG A 77 -9.496 3.739 12.319 1.00 23.14 H new ATOM 1274 N LEU A 78 -8.845 10.943 6.966 1.00 32.50 N ATOM 1275 CA LEU A 78 -9.095 12.234 6.317 1.00 64.22 C ATOM 1276 C LEU A 78 -10.341 12.890 6.932 1.00 11.12 C ATOM 1277 O LEU A 78 -11.460 12.410 6.748 1.00 40.11 O ATOM 1278 CB LEU A 78 -9.262 12.030 4.793 1.00 62.24 C ATOM 1279 CG LEU A 78 -9.252 13.306 3.918 1.00 23.10 C ATOM 1280 CD1 LEU A 78 -10.576 14.063 4.001 1.00 72.22 C ATOM 1281 CD2 LEU A 78 -8.087 14.216 4.304 1.00 62.04 C ATOM 0 H LEU A 78 -9.692 10.423 7.195 1.00 32.50 H new ATOM 0 HA LEU A 78 -8.246 12.898 6.479 1.00 64.22 H new ATOM 0 HB2 LEU A 78 -8.463 11.374 4.448 1.00 62.24 H new ATOM 0 HB3 LEU A 78 -10.202 11.506 4.620 1.00 62.24 H new ATOM 0 HG LEU A 78 -9.121 12.990 2.883 1.00 23.10 H new ATOM 0 HD11 LEU A 78 -10.527 14.952 3.372 1.00 72.22 H new ATOM 0 HD12 LEU A 78 -11.385 13.419 3.657 1.00 72.22 H new ATOM 0 HD13 LEU A 78 -10.762 14.359 5.034 1.00 72.22 H new ATOM 0 HD21 LEU A 78 -8.098 15.107 3.677 1.00 62.04 H new ATOM 0 HD22 LEU A 78 -8.184 14.507 5.350 1.00 62.04 H new ATOM 0 HD23 LEU A 78 -7.147 13.684 4.161 1.00 62.04 H new ATOM 1293 N GLU A 79 -10.137 13.978 7.671 1.00 24.31 N ATOM 1294 CA GLU A 79 -11.234 14.644 8.380 1.00 64.23 C ATOM 1295 C GLU A 79 -12.157 15.427 7.434 1.00 33.01 C ATOM 1296 O GLU A 79 -11.726 15.945 6.403 1.00 20.04 O ATOM 1297 CB GLU A 79 -10.680 15.589 9.454 1.00 62.34 C ATOM 1298 CG GLU A 79 -9.776 16.691 8.907 1.00 25.45 C ATOM 1299 CD GLU A 79 -9.482 17.772 9.932 1.00 2.41 C ATOM 1300 OE1 GLU A 79 -8.665 17.530 10.849 1.00 75.44 O ATOM 1301 OE2 GLU A 79 -10.078 18.864 9.837 1.00 65.23 O ATOM 0 H GLU A 79 -9.226 14.419 7.796 1.00 24.31 H new ATOM 0 HA GLU A 79 -11.829 13.859 8.847 1.00 64.23 H new ATOM 0 HB2 GLU A 79 -11.514 16.048 9.985 1.00 62.34 H new ATOM 0 HB3 GLU A 79 -10.121 15.004 10.184 1.00 62.34 H new ATOM 0 HG2 GLU A 79 -8.837 16.251 8.570 1.00 25.45 H new ATOM 0 HG3 GLU A 79 -10.248 17.142 8.034 1.00 25.45 H new ATOM 1308 N HIS A 80 -13.431 15.509 7.802 1.00 35.03 N ATOM 1309 CA HIS A 80 -14.424 16.272 7.044 1.00 74.33 C ATOM 1310 C HIS A 80 -15.177 17.252 7.963 1.00 75.23 C ATOM 1311 O HIS A 80 -16.287 16.973 8.421 1.00 13.12 O ATOM 1312 CB HIS A 80 -15.410 15.315 6.349 1.00 11.30 C ATOM 1313 CG HIS A 80 -16.555 16.003 5.664 1.00 42.01 C ATOM 1314 ND1 HIS A 80 -17.745 16.290 6.299 1.00 4.32 N ATOM 1315 CD2 HIS A 80 -16.689 16.470 4.401 1.00 3.43 C ATOM 1316 CE1 HIS A 80 -18.553 16.900 5.462 1.00 71.35 C ATOM 1317 NE2 HIS A 80 -17.940 17.024 4.304 1.00 33.04 N ATOM 0 H HIS A 80 -13.807 15.050 8.632 1.00 35.03 H new ATOM 0 HA HIS A 80 -13.906 16.854 6.282 1.00 74.33 H new ATOM 0 HB2 HIS A 80 -14.866 14.721 5.615 1.00 11.30 H new ATOM 0 HB3 HIS A 80 -15.808 14.621 7.089 1.00 11.30 H new ATOM 0 HD1 HIS A 80 -17.964 16.064 7.269 1.00 4.32 H new ATOM 0 HD2 HIS A 80 -15.949 16.416 3.616 1.00 3.43 H new ATOM 0 HE1 HIS A 80 -19.552 17.242 5.686 1.00 71.35 H new ATOM 0 HE2 HIS A 80 -18.332 17.461 3.470 1.00 33.04 H new ATOM 1326 N HIS A 81 -14.560 18.395 8.245 1.00 20.44 N ATOM 1327 CA HIS A 81 -15.165 19.394 9.134 1.00 61.15 C ATOM 1328 C HIS A 81 -15.859 20.517 8.350 1.00 33.31 C ATOM 1329 O HIS A 81 -15.211 21.411 7.803 1.00 65.22 O ATOM 1330 CB HIS A 81 -14.109 19.977 10.078 1.00 61.42 C ATOM 1331 CG HIS A 81 -13.641 19.008 11.122 1.00 74.01 C ATOM 1332 ND1 HIS A 81 -12.932 17.859 11.022 1.00 35.04 N flip ATOM 1333 CD2 HIS A 81 -13.889 19.179 12.467 1.00 12.41 C flip ATOM 1334 CE1 HIS A 81 -12.769 17.373 12.294 1.00 2.04 C flip ATOM 1335 NE2 HIS A 81 -13.354 18.185 13.146 1.00 73.11 N flip ATOM 0 H HIS A 81 -13.646 18.656 7.875 1.00 20.44 H new ATOM 0 HA HIS A 81 -15.929 18.886 9.722 1.00 61.15 H new ATOM 0 HB2 HIS A 81 -13.252 20.309 9.492 1.00 61.42 H new ATOM 0 HB3 HIS A 81 -14.520 20.859 10.570 1.00 61.42 H new ATOM 0 HD2 HIS A 81 -14.438 20.003 12.899 1.00 12.41 H new ATOM 0 HE1 HIS A 81 -12.243 16.466 12.554 1.00 2.04 H new ATOM 0 HE2 HIS A 81 -13.388 18.066 14.158 1.00 73.11 H new ATOM 1344 N HIS A 82 -17.184 20.440 8.286 1.00 40.25 N ATOM 1345 CA HIS A 82 -18.010 21.465 7.640 1.00 62.20 C ATOM 1346 C HIS A 82 -19.358 21.593 8.361 1.00 22.13 C ATOM 1347 O HIS A 82 -19.665 20.813 9.266 1.00 60.44 O ATOM 1348 CB HIS A 82 -18.249 21.124 6.158 1.00 14.05 C ATOM 1349 CG HIS A 82 -17.013 21.146 5.308 1.00 30.04 C ATOM 1350 ND1 HIS A 82 -16.469 22.308 4.803 1.00 44.30 N ATOM 1351 CD2 HIS A 82 -16.218 20.143 4.864 1.00 70.52 C ATOM 1352 CE1 HIS A 82 -15.402 22.018 4.089 1.00 73.30 C ATOM 1353 NE2 HIS A 82 -15.225 20.715 4.109 1.00 2.43 N ATOM 0 H HIS A 82 -17.720 19.666 8.679 1.00 40.25 H new ATOM 0 HA HIS A 82 -17.477 22.414 7.699 1.00 62.20 H new ATOM 0 HB2 HIS A 82 -18.701 20.134 6.094 1.00 14.05 H new ATOM 0 HB3 HIS A 82 -18.970 21.831 5.747 1.00 14.05 H new ATOM 0 HD2 HIS A 82 -16.342 19.089 5.066 1.00 70.52 H new ATOM 0 HE1 HIS A 82 -14.776 22.731 3.573 1.00 73.30 H new ATOM 0 HE2 HIS A 82 -14.472 20.212 3.640 1.00 2.43 H new ATOM 1362 N HIS A 83 -20.156 22.578 7.966 1.00 21.21 N ATOM 1363 CA HIS A 83 -21.501 22.755 8.525 1.00 24.51 C ATOM 1364 C HIS A 83 -22.522 23.067 7.413 1.00 42.22 C ATOM 1365 O HIS A 83 -23.646 23.503 7.681 1.00 14.34 O ATOM 1366 CB HIS A 83 -21.479 23.871 9.581 1.00 51.13 C ATOM 1367 CG HIS A 83 -22.707 23.920 10.439 1.00 10.13 C ATOM 1368 ND1 HIS A 83 -23.027 22.937 11.352 1.00 72.02 N ATOM 1369 CD2 HIS A 83 -23.701 24.835 10.518 1.00 42.11 C ATOM 1370 CE1 HIS A 83 -24.159 23.246 11.950 1.00 41.03 C ATOM 1371 NE2 HIS A 83 -24.590 24.393 11.467 1.00 54.32 N ATOM 0 H HIS A 83 -19.900 23.269 7.261 1.00 21.21 H new ATOM 0 HA HIS A 83 -21.810 21.825 9.003 1.00 24.51 H new ATOM 0 HB2 HIS A 83 -20.606 23.736 10.220 1.00 51.13 H new ATOM 0 HB3 HIS A 83 -21.360 24.831 9.078 1.00 51.13 H new ATOM 0 HD2 HIS A 83 -23.780 25.745 9.941 1.00 42.11 H new ATOM 0 HE1 HIS A 83 -24.652 22.657 12.710 1.00 41.03 H new ATOM 0 HE2 HIS A 83 -25.444 24.874 11.751 1.00 54.32 H new ATOM 1380 N HIS A 84 -22.125 22.819 6.167 1.00 65.34 N ATOM 1381 CA HIS A 84 -22.972 23.108 4.999 1.00 2.13 C ATOM 1382 C HIS A 84 -22.599 22.227 3.785 1.00 45.34 C ATOM 1383 O HIS A 84 -23.186 22.362 2.709 1.00 72.31 O ATOM 1384 CB HIS A 84 -22.851 24.601 4.646 1.00 60.55 C ATOM 1385 CG HIS A 84 -23.708 25.049 3.500 1.00 35.44 C ATOM 1386 ND1 HIS A 84 -25.059 25.289 3.617 1.00 45.40 N ATOM 1387 CD2 HIS A 84 -23.395 25.308 2.205 1.00 45.51 C ATOM 1388 CE1 HIS A 84 -25.539 25.672 2.450 1.00 73.12 C ATOM 1389 NE2 HIS A 84 -24.552 25.692 1.579 1.00 71.13 N ATOM 0 H HIS A 84 -21.217 22.416 5.934 1.00 65.34 H new ATOM 0 HA HIS A 84 -24.005 22.873 5.254 1.00 2.13 H new ATOM 0 HB2 HIS A 84 -23.109 25.190 5.526 1.00 60.55 H new ATOM 0 HB3 HIS A 84 -21.810 24.821 4.410 1.00 60.55 H new ATOM 0 HD2 HIS A 84 -22.418 25.227 1.753 1.00 45.51 H new ATOM 0 HE1 HIS A 84 -26.568 25.926 2.244 1.00 73.12 H new ATOM 0 HE2 HIS A 84 -24.635 25.952 0.596 1.00 71.13 H new ATOM 1398 N HIS A 85 -21.643 21.314 3.962 1.00 4.31 N ATOM 1399 CA HIS A 85 -21.195 20.434 2.868 1.00 4.51 C ATOM 1400 C HIS A 85 -20.348 19.257 3.396 1.00 11.45 C ATOM 1401 O HIS A 85 -19.110 19.403 3.509 1.00 38.46 O ATOM 1402 CB HIS A 85 -20.400 21.235 1.820 1.00 34.11 C ATOM 1403 CG HIS A 85 -19.915 20.403 0.665 1.00 61.02 C ATOM 1404 ND1 HIS A 85 -20.742 19.967 -0.346 1.00 0.00 N ATOM 1405 CD2 HIS A 85 -18.685 19.913 0.376 1.00 21.24 C ATOM 1406 CE1 HIS A 85 -20.048 19.244 -1.201 1.00 23.41 C ATOM 1407 NE2 HIS A 85 -18.799 19.198 -0.790 1.00 44.05 N ATOM 1408 OXT HIS A 85 -20.928 18.190 3.694 1.00 38.46 O ATOM 0 H HIS A 85 -21.162 21.160 4.848 1.00 4.31 H new ATOM 0 HA HIS A 85 -22.085 20.019 2.395 1.00 4.51 H new ATOM 0 HB2 HIS A 85 -21.028 22.040 1.438 1.00 34.11 H new ATOM 0 HB3 HIS A 85 -19.543 21.702 2.306 1.00 34.11 H new ATOM 0 HD2 HIS A 85 -17.784 20.058 0.954 1.00 21.24 H new ATOM 0 HE1 HIS A 85 -20.438 18.769 -2.089 1.00 23.41 H new ATOM 0 HE2 HIS A 85 -18.038 18.710 -1.262 1.00 44.05 H new TER 1417 HIS A 85