USER MOD reduce.3.24.130724 H: found=0, std=0, add=626, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 626 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 61 ASN : amide:sc= 1.48 K(o=1.6,f=-7.6!) USER MOD Set 1.2: A 64 THR OG1 : rot -57:sc= 0.162 USER MOD Set 2.1: A 9 TYR OH : rot -156:sc= 0.452 USER MOD Set 2.2: A 57 MET CE :methyl 158:sc=-0.00912 (180deg=-0.88) USER MOD Set 3.1: A 50 CYS SG : rot 32:sc= 0.821 USER MOD Set 3.2: A 53 SER OG : rot 128:sc= 1.41 USER MOD Single : A 1 MET CE :methyl -158:sc= -0.128 (180deg=-0.768) USER MOD Single : A 1 MET N :NH3+ -134:sc= -1.49! (180deg=-2.94!) USER MOD Single : A 8 GLN : amide:sc= -0.0153 X(o=-0.015,f=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 GLN : amide:sc= -0.5 K(o=-0.5,f=-1.2) USER MOD Single : A 66 GLN : amide:sc= -0.767 X(o=-0.77,f=-1) USER MOD Single : A 73 THR OG1 : rot -31:sc= 0.383 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.558 5.290 20.971 1.00 74.23 N ATOM 2 CA MET A 1 -4.265 4.598 22.082 1.00 42.10 C ATOM 3 C MET A 1 -4.096 3.074 21.983 1.00 35.34 C ATOM 4 O MET A 1 -3.779 2.412 22.972 1.00 30.01 O ATOM 5 CB MET A 1 -5.757 4.967 22.073 1.00 13.34 C ATOM 6 CG MET A 1 -6.555 4.350 23.217 1.00 23.12 C ATOM 7 SD MET A 1 -8.278 4.891 23.239 1.00 23.53 S ATOM 8 CE MET A 1 -8.085 6.653 23.506 1.00 32.12 C ATOM 0 H1 MET A 1 -3.016 6.092 21.351 1.00 74.23 H new ATOM 0 H2 MET A 1 -2.910 4.624 20.504 1.00 74.23 H new ATOM 0 H3 MET A 1 -4.253 5.638 20.281 1.00 74.23 H new ATOM 0 HA MET A 1 -3.822 4.928 23.022 1.00 42.10 H new ATOM 0 HB2 MET A 1 -5.853 6.052 22.120 1.00 13.34 H new ATOM 0 HB3 MET A 1 -6.194 4.649 21.126 1.00 13.34 H new ATOM 0 HG2 MET A 1 -6.521 3.264 23.133 1.00 23.12 H new ATOM 0 HG3 MET A 1 -6.085 4.612 24.165 1.00 23.12 H new ATOM 0 HE1 MET A 1 -9.005 7.060 23.925 1.00 32.12 H new ATOM 0 HE2 MET A 1 -7.262 6.828 24.199 1.00 32.12 H new ATOM 0 HE3 MET A 1 -7.870 7.143 22.557 1.00 32.12 H new ATOM 20 N ALA A 2 -4.316 2.520 20.793 1.00 64.41 N ATOM 21 CA ALA A 2 -4.172 1.077 20.569 1.00 51.41 C ATOM 22 C ALA A 2 -2.701 0.682 20.362 1.00 74.23 C ATOM 23 O ALA A 2 -2.158 -0.147 21.097 1.00 2.14 O ATOM 24 CB ALA A 2 -5.013 0.642 19.371 1.00 22.12 C ATOM 0 H ALA A 2 -4.595 3.047 19.965 1.00 64.41 H new ATOM 0 HA ALA A 2 -4.531 0.563 21.461 1.00 51.41 H new ATOM 0 HB1 ALA A 2 -4.897 -0.431 19.216 1.00 22.12 H new ATOM 0 HB2 ALA A 2 -6.062 0.870 19.561 1.00 22.12 H new ATOM 0 HB3 ALA A 2 -4.681 1.176 18.480 1.00 22.12 H new ATOM 30 N GLY A 3 -2.062 1.286 19.360 1.00 34.52 N ATOM 31 CA GLY A 3 -0.664 0.987 19.059 1.00 55.13 C ATOM 32 C GLY A 3 -0.363 0.990 17.563 1.00 43.32 C ATOM 33 O GLY A 3 -1.235 1.303 16.751 1.00 44.21 O ATOM 0 H GLY A 3 -2.488 1.981 18.747 1.00 34.52 H new ATOM 0 HA2 GLY A 3 -0.027 1.720 19.554 1.00 55.13 H new ATOM 0 HA3 GLY A 3 -0.409 0.012 19.473 1.00 55.13 H new ATOM 37 N PRO A 4 0.874 0.635 17.162 1.00 74.21 N ATOM 38 CA PRO A 4 1.277 0.581 15.740 1.00 21.21 C ATOM 39 C PRO A 4 0.706 -0.646 14.996 1.00 74.03 C ATOM 40 O PRO A 4 1.420 -1.330 14.260 1.00 14.35 O ATOM 41 CB PRO A 4 2.809 0.508 15.829 1.00 3.24 C ATOM 42 CG PRO A 4 3.078 -0.177 17.129 1.00 72.30 C ATOM 43 CD PRO A 4 1.984 0.265 18.067 1.00 22.25 C ATOM 0 HA PRO A 4 0.902 1.432 15.172 1.00 21.21 H new ATOM 0 HB2 PRO A 4 3.229 -0.050 14.992 1.00 3.24 H new ATOM 0 HB3 PRO A 4 3.255 1.502 15.805 1.00 3.24 H new ATOM 0 HG2 PRO A 4 3.073 -1.260 17.007 1.00 72.30 H new ATOM 0 HG3 PRO A 4 4.059 0.096 17.518 1.00 72.30 H new ATOM 0 HD2 PRO A 4 1.695 -0.534 18.750 1.00 22.25 H new ATOM 0 HD3 PRO A 4 2.299 1.109 18.680 1.00 22.25 H new ATOM 51 N GLU A 5 -0.595 -0.893 15.164 1.00 14.41 N ATOM 52 CA GLU A 5 -1.269 -2.042 14.541 1.00 43.54 C ATOM 53 C GLU A 5 -1.127 -2.024 13.007 1.00 64.02 C ATOM 54 O GLU A 5 -1.051 -3.072 12.358 1.00 1.41 O ATOM 55 CB GLU A 5 -2.758 -2.038 14.918 1.00 63.14 C ATOM 56 CG GLU A 5 -3.023 -2.011 16.423 1.00 31.24 C ATOM 57 CD GLU A 5 -2.468 -3.229 17.143 1.00 22.53 C ATOM 58 OE1 GLU A 5 -3.055 -4.323 17.006 1.00 24.31 O ATOM 59 OE2 GLU A 5 -1.448 -3.106 17.849 1.00 32.20 O ATOM 0 H GLU A 5 -1.210 -0.309 15.731 1.00 14.41 H new ATOM 0 HA GLU A 5 -0.792 -2.949 14.913 1.00 43.54 H new ATOM 0 HB2 GLU A 5 -3.235 -1.171 14.461 1.00 63.14 H new ATOM 0 HB3 GLU A 5 -3.231 -2.923 14.493 1.00 63.14 H new ATOM 0 HG2 GLU A 5 -2.580 -1.111 16.849 1.00 31.24 H new ATOM 0 HG3 GLU A 5 -4.097 -1.951 16.597 1.00 31.24 H new ATOM 66 N GLY A 6 -1.095 -0.826 12.435 1.00 60.31 N ATOM 67 CA GLY A 6 -0.968 -0.680 10.993 1.00 71.32 C ATOM 68 C GLY A 6 -0.585 0.732 10.570 1.00 33.13 C ATOM 69 O GLY A 6 -0.741 1.684 11.338 1.00 1.41 O ATOM 0 H GLY A 6 -1.155 0.054 12.947 1.00 60.31 H new ATOM 0 HA2 GLY A 6 -0.216 -1.380 10.627 1.00 71.32 H new ATOM 0 HA3 GLY A 6 -1.912 -0.951 10.521 1.00 71.32 H new ATOM 73 N PHE A 7 -0.079 0.870 9.350 1.00 44.31 N ATOM 74 CA PHE A 7 0.321 2.173 8.810 1.00 53.41 C ATOM 75 C PHE A 7 -0.631 2.626 7.693 1.00 64.51 C ATOM 76 O PHE A 7 -1.267 1.803 7.031 1.00 43.01 O ATOM 77 CB PHE A 7 1.765 2.109 8.293 1.00 34.10 C ATOM 78 CG PHE A 7 2.777 1.822 9.375 1.00 71.54 C ATOM 79 CD1 PHE A 7 3.071 0.517 9.746 1.00 64.24 C ATOM 80 CD2 PHE A 7 3.431 2.858 10.027 1.00 71.13 C ATOM 81 CE1 PHE A 7 3.995 0.252 10.738 1.00 1.11 C ATOM 82 CE2 PHE A 7 4.355 2.598 11.021 1.00 33.41 C ATOM 83 CZ PHE A 7 4.638 1.295 11.376 1.00 25.45 C ATOM 0 H PHE A 7 0.067 0.091 8.708 1.00 44.31 H new ATOM 0 HA PHE A 7 0.266 2.907 9.614 1.00 53.41 H new ATOM 0 HB2 PHE A 7 1.835 1.337 7.527 1.00 34.10 H new ATOM 0 HB3 PHE A 7 2.014 3.056 7.815 1.00 34.10 H new ATOM 0 HD1 PHE A 7 2.570 -0.303 9.252 1.00 64.24 H new ATOM 0 HD2 PHE A 7 3.215 3.880 9.754 1.00 71.13 H new ATOM 0 HE1 PHE A 7 4.214 -0.769 11.014 1.00 1.11 H new ATOM 0 HE2 PHE A 7 4.856 3.415 11.520 1.00 33.41 H new ATOM 0 HZ PHE A 7 5.361 1.091 12.152 1.00 25.45 H new ATOM 93 N GLN A 8 -0.736 3.937 7.500 1.00 30.55 N ATOM 94 CA GLN A 8 -1.640 4.506 6.496 1.00 64.40 C ATOM 95 C GLN A 8 -0.867 5.260 5.402 1.00 51.24 C ATOM 96 O GLN A 8 -0.050 6.143 5.689 1.00 33.43 O ATOM 97 CB GLN A 8 -2.650 5.443 7.174 1.00 12.53 C ATOM 98 CG GLN A 8 -3.536 4.742 8.201 1.00 31.22 C ATOM 99 CD GLN A 8 -4.443 5.699 8.954 1.00 10.31 C ATOM 100 OE1 GLN A 8 -5.568 5.961 8.546 1.00 1.11 O ATOM 101 NE2 GLN A 8 -3.956 6.231 10.057 1.00 61.10 N ATOM 0 H GLN A 8 -0.205 4.631 8.026 1.00 30.55 H new ATOM 0 HA GLN A 8 -2.173 3.684 6.018 1.00 64.40 H new ATOM 0 HB2 GLN A 8 -2.110 6.253 7.664 1.00 12.53 H new ATOM 0 HB3 GLN A 8 -3.282 5.897 6.411 1.00 12.53 H new ATOM 0 HG2 GLN A 8 -4.146 3.994 7.696 1.00 31.22 H new ATOM 0 HG3 GLN A 8 -2.906 4.211 8.914 1.00 31.22 H new ATOM 0 HE21 GLN A 8 -3.015 5.990 10.367 1.00 61.10 H new ATOM 0 HE22 GLN A 8 -4.520 6.884 10.601 1.00 61.10 H new ATOM 110 N TYR A 9 -1.132 4.900 4.151 1.00 13.11 N ATOM 111 CA TYR A 9 -0.493 5.532 2.994 1.00 53.51 C ATOM 112 C TYR A 9 -1.514 6.348 2.188 1.00 43.33 C ATOM 113 O TYR A 9 -2.720 6.231 2.397 1.00 12.02 O ATOM 114 CB TYR A 9 0.138 4.463 2.088 1.00 41.34 C ATOM 115 CG TYR A 9 1.072 3.516 2.814 1.00 25.42 C ATOM 116 CD1 TYR A 9 0.571 2.429 3.518 1.00 13.42 C ATOM 117 CD2 TYR A 9 2.452 3.699 2.788 1.00 64.55 C ATOM 118 CE1 TYR A 9 1.410 1.556 4.177 1.00 64.33 C ATOM 119 CE2 TYR A 9 3.299 2.828 3.448 1.00 34.14 C ATOM 120 CZ TYR A 9 2.770 1.754 4.139 1.00 34.11 C ATOM 121 OH TYR A 9 3.598 0.870 4.789 1.00 1.14 O ATOM 0 H TYR A 9 -1.794 4.164 3.907 1.00 13.11 H new ATOM 0 HA TYR A 9 0.285 6.203 3.360 1.00 53.51 H new ATOM 0 HB2 TYR A 9 -0.657 3.884 1.618 1.00 41.34 H new ATOM 0 HB3 TYR A 9 0.688 4.958 1.288 1.00 41.34 H new ATOM 0 HD1 TYR A 9 -0.496 2.264 3.550 1.00 13.42 H new ATOM 0 HD2 TYR A 9 2.867 4.534 2.244 1.00 64.55 H new ATOM 0 HE1 TYR A 9 1.000 0.719 4.722 1.00 64.33 H new ATOM 0 HE2 TYR A 9 4.367 2.986 3.424 1.00 34.14 H new ATOM 0 HH TYR A 9 4.446 1.313 5.003 1.00 1.14 H new ATOM 131 N ARG A 10 -1.031 7.163 1.258 1.00 54.42 N ATOM 132 CA ARG A 10 -1.907 7.987 0.414 1.00 70.35 C ATOM 133 C ARG A 10 -1.651 7.719 -1.076 1.00 32.44 C ATOM 134 O ARG A 10 -0.540 7.925 -1.567 1.00 32.24 O ATOM 135 CB ARG A 10 -1.697 9.476 0.739 1.00 11.53 C ATOM 136 CG ARG A 10 -2.473 10.439 -0.160 1.00 44.51 C ATOM 137 CD ARG A 10 -2.317 11.886 0.303 1.00 33.34 C ATOM 138 NE ARG A 10 -2.836 12.840 -0.676 1.00 51.14 N ATOM 139 CZ ARG A 10 -3.907 13.566 -0.508 1.00 62.33 C ATOM 140 NH1 ARG A 10 -4.626 13.457 0.562 1.00 35.54 N ATOM 141 NH2 ARG A 10 -4.254 14.416 -1.418 1.00 54.51 N ATOM 0 H ARG A 10 -0.036 7.276 1.064 1.00 54.42 H new ATOM 0 HA ARG A 10 -2.942 7.719 0.627 1.00 70.35 H new ATOM 0 HB2 ARG A 10 -1.987 9.653 1.775 1.00 11.53 H new ATOM 0 HB3 ARG A 10 -0.634 9.705 0.662 1.00 11.53 H new ATOM 0 HG2 ARG A 10 -2.120 10.344 -1.187 1.00 44.51 H new ATOM 0 HG3 ARG A 10 -3.529 10.168 -0.160 1.00 44.51 H new ATOM 0 HD2 ARG A 10 -2.839 12.020 1.250 1.00 33.34 H new ATOM 0 HD3 ARG A 10 -1.263 12.095 0.487 1.00 33.34 H new ATOM 0 HE ARG A 10 -2.325 12.945 -1.552 1.00 51.14 H new ATOM 0 HH11 ARG A 10 -4.359 12.795 1.291 1.00 35.54 H new ATOM 0 HH12 ARG A 10 -5.460 14.033 0.677 1.00 35.54 H new ATOM 0 HH21 ARG A 10 -3.691 14.517 -2.263 1.00 54.51 H new ATOM 0 HH22 ARG A 10 -5.090 14.986 -1.291 1.00 54.51 H new ATOM 155 N ALA A 11 -2.677 7.247 -1.782 1.00 22.34 N ATOM 156 CA ALA A 11 -2.569 6.969 -3.218 1.00 65.14 C ATOM 157 C ALA A 11 -2.400 8.259 -4.031 1.00 72.13 C ATOM 158 O ALA A 11 -3.274 9.125 -4.034 1.00 4.02 O ATOM 159 CB ALA A 11 -3.786 6.188 -3.699 1.00 54.41 C ATOM 0 H ALA A 11 -3.595 7.048 -1.385 1.00 22.34 H new ATOM 0 HA ALA A 11 -1.677 6.363 -3.374 1.00 65.14 H new ATOM 0 HB1 ALA A 11 -3.692 5.989 -4.767 1.00 54.41 H new ATOM 0 HB2 ALA A 11 -3.850 5.244 -3.158 1.00 54.41 H new ATOM 0 HB3 ALA A 11 -4.688 6.772 -3.517 1.00 54.41 H new ATOM 165 N LEU A 12 -1.270 8.381 -4.718 1.00 15.02 N ATOM 166 CA LEU A 12 -0.956 9.590 -5.488 1.00 13.41 C ATOM 167 C LEU A 12 -1.474 9.495 -6.931 1.00 3.15 C ATOM 168 O LEU A 12 -1.997 10.465 -7.483 1.00 33.51 O ATOM 169 CB LEU A 12 0.561 9.821 -5.487 1.00 73.12 C ATOM 170 CG LEU A 12 1.213 9.842 -4.095 1.00 21.30 C ATOM 171 CD1 LEU A 12 2.706 10.147 -4.196 1.00 42.14 C ATOM 172 CD2 LEU A 12 0.509 10.852 -3.191 1.00 12.40 C ATOM 0 H LEU A 12 -0.551 7.658 -4.761 1.00 15.02 H new ATOM 0 HA LEU A 12 -1.458 10.433 -5.013 1.00 13.41 H new ATOM 0 HB2 LEU A 12 1.033 9.039 -6.081 1.00 73.12 H new ATOM 0 HB3 LEU A 12 0.770 10.768 -5.984 1.00 73.12 H new ATOM 0 HG LEU A 12 1.105 8.852 -3.651 1.00 21.30 H new ATOM 0 HD11 LEU A 12 3.144 10.156 -3.198 1.00 42.14 H new ATOM 0 HD12 LEU A 12 3.194 9.381 -4.799 1.00 42.14 H new ATOM 0 HD13 LEU A 12 2.847 11.122 -4.663 1.00 42.14 H new ATOM 0 HD21 LEU A 12 0.983 10.854 -2.209 1.00 12.40 H new ATOM 0 HD22 LEU A 12 0.581 11.847 -3.631 1.00 12.40 H new ATOM 0 HD23 LEU A 12 -0.541 10.577 -3.086 1.00 12.40 H new ATOM 184 N TYR A 13 -1.321 8.320 -7.535 1.00 10.30 N ATOM 185 CA TYR A 13 -1.774 8.079 -8.911 1.00 43.51 C ATOM 186 C TYR A 13 -2.665 6.828 -8.990 1.00 64.13 C ATOM 187 O TYR A 13 -2.503 5.892 -8.205 1.00 42.45 O ATOM 188 CB TYR A 13 -0.566 7.941 -9.852 1.00 3.32 C ATOM 189 CG TYR A 13 0.210 9.235 -10.020 1.00 1.25 C ATOM 190 CD1 TYR A 13 1.223 9.583 -9.132 1.00 14.30 C ATOM 191 CD2 TYR A 13 -0.083 10.113 -11.059 1.00 50.33 C ATOM 192 CE1 TYR A 13 1.920 10.765 -9.275 1.00 60.14 C ATOM 193 CE2 TYR A 13 0.611 11.298 -11.207 1.00 32.10 C ATOM 194 CZ TYR A 13 1.612 11.617 -10.314 1.00 43.32 C ATOM 195 OH TYR A 13 2.301 12.801 -10.452 1.00 74.02 O ATOM 0 H TYR A 13 -0.884 7.511 -7.093 1.00 10.30 H new ATOM 0 HA TYR A 13 -2.370 8.935 -9.228 1.00 43.51 H new ATOM 0 HB2 TYR A 13 0.102 7.172 -9.465 1.00 3.32 H new ATOM 0 HB3 TYR A 13 -0.911 7.602 -10.829 1.00 3.32 H new ATOM 0 HD1 TYR A 13 1.468 8.917 -8.318 1.00 14.30 H new ATOM 0 HD2 TYR A 13 -0.865 9.864 -11.761 1.00 50.33 H new ATOM 0 HE1 TYR A 13 2.703 11.021 -8.577 1.00 60.14 H new ATOM 0 HE2 TYR A 13 0.371 11.971 -12.017 1.00 32.10 H new ATOM 0 HH TYR A 13 1.964 13.286 -11.234 1.00 74.02 H new ATOM 205 N PRO A 14 -3.628 6.804 -9.936 1.00 24.33 N ATOM 206 CA PRO A 14 -4.561 5.675 -10.087 1.00 34.05 C ATOM 207 C PRO A 14 -3.908 4.416 -10.684 1.00 13.53 C ATOM 208 O PRO A 14 -2.935 4.495 -11.437 1.00 23.21 O ATOM 209 CB PRO A 14 -5.635 6.231 -11.034 1.00 32.32 C ATOM 210 CG PRO A 14 -4.925 7.266 -11.841 1.00 50.33 C ATOM 211 CD PRO A 14 -3.889 7.872 -10.926 1.00 60.15 C ATOM 0 HA PRO A 14 -4.945 5.343 -9.122 1.00 34.05 H new ATOM 0 HB2 PRO A 14 -6.048 5.447 -11.669 1.00 32.32 H new ATOM 0 HB3 PRO A 14 -6.468 6.663 -10.479 1.00 32.32 H new ATOM 0 HG2 PRO A 14 -4.457 6.822 -12.720 1.00 50.33 H new ATOM 0 HG3 PRO A 14 -5.620 8.025 -12.200 1.00 50.33 H new ATOM 0 HD2 PRO A 14 -2.984 8.144 -11.470 1.00 60.15 H new ATOM 0 HD3 PRO A 14 -4.258 8.779 -10.448 1.00 60.15 H new ATOM 219 N PHE A 15 -4.460 3.253 -10.349 1.00 63.12 N ATOM 220 CA PHE A 15 -3.960 1.971 -10.856 1.00 41.13 C ATOM 221 C PHE A 15 -5.128 1.003 -11.115 1.00 44.40 C ATOM 222 O PHE A 15 -5.987 0.816 -10.254 1.00 61.31 O ATOM 223 CB PHE A 15 -2.972 1.359 -9.851 1.00 44.41 C ATOM 224 CG PHE A 15 -2.320 0.079 -10.322 1.00 25.42 C ATOM 225 CD1 PHE A 15 -1.264 0.115 -11.221 1.00 32.30 C ATOM 226 CD2 PHE A 15 -2.762 -1.156 -9.864 1.00 62.35 C ATOM 227 CE1 PHE A 15 -0.664 -1.053 -11.653 1.00 42.54 C ATOM 228 CE2 PHE A 15 -2.165 -2.326 -10.293 1.00 73.34 C ATOM 229 CZ PHE A 15 -1.113 -2.274 -11.189 1.00 71.14 C ATOM 0 H PHE A 15 -5.261 3.169 -9.723 1.00 63.12 H new ATOM 0 HA PHE A 15 -3.442 2.145 -11.799 1.00 41.13 H new ATOM 0 HB2 PHE A 15 -2.194 2.090 -9.632 1.00 44.41 H new ATOM 0 HB3 PHE A 15 -3.497 1.163 -8.916 1.00 44.41 H new ATOM 0 HD1 PHE A 15 -0.907 1.066 -11.587 1.00 32.30 H new ATOM 0 HD2 PHE A 15 -3.583 -1.202 -9.164 1.00 62.35 H new ATOM 0 HE1 PHE A 15 0.157 -1.011 -12.354 1.00 42.54 H new ATOM 0 HE2 PHE A 15 -2.519 -3.279 -9.929 1.00 73.34 H new ATOM 0 HZ PHE A 15 -0.643 -3.186 -11.525 1.00 71.14 H new ATOM 239 N ARG A 16 -5.161 0.401 -12.304 1.00 2.13 N ATOM 240 CA ARG A 16 -6.253 -0.510 -12.682 1.00 20.32 C ATOM 241 C ARG A 16 -5.824 -1.989 -12.619 1.00 51.32 C ATOM 242 O ARG A 16 -4.632 -2.309 -12.661 1.00 61.21 O ATOM 243 CB ARG A 16 -6.756 -0.169 -14.090 1.00 25.24 C ATOM 244 CG ARG A 16 -7.221 1.275 -14.235 1.00 64.53 C ATOM 245 CD ARG A 16 -7.783 1.554 -15.624 1.00 1.12 C ATOM 246 NE ARG A 16 -8.160 2.956 -15.790 1.00 21.34 N ATOM 247 CZ ARG A 16 -9.156 3.371 -16.528 1.00 44.52 C ATOM 248 NH1 ARG A 16 -9.906 2.523 -17.157 1.00 3.35 N ATOM 249 NH2 ARG A 16 -9.395 4.636 -16.631 1.00 31.21 N ATOM 0 H ARG A 16 -4.448 0.524 -13.023 1.00 2.13 H new ATOM 0 HA ARG A 16 -7.058 -0.373 -11.960 1.00 20.32 H new ATOM 0 HB2 ARG A 16 -5.959 -0.360 -14.808 1.00 25.24 H new ATOM 0 HB3 ARG A 16 -7.580 -0.835 -14.344 1.00 25.24 H new ATOM 0 HG2 ARG A 16 -7.983 1.488 -13.485 1.00 64.53 H new ATOM 0 HG3 ARG A 16 -6.385 1.947 -14.040 1.00 64.53 H new ATOM 0 HD2 ARG A 16 -7.041 1.287 -16.376 1.00 1.12 H new ATOM 0 HD3 ARG A 16 -8.654 0.921 -15.797 1.00 1.12 H new ATOM 0 HE ARG A 16 -7.609 3.658 -15.297 1.00 21.34 H new ATOM 0 HH11 ARG A 16 -9.722 1.523 -17.079 1.00 3.35 H new ATOM 0 HH12 ARG A 16 -10.681 2.855 -17.731 1.00 3.35 H new ATOM 0 HH21 ARG A 16 -8.807 5.308 -16.137 1.00 31.21 H new ATOM 0 HH22 ARG A 16 -10.171 4.963 -17.206 1.00 31.21 H new ATOM 263 N ARG A 17 -6.812 -2.885 -12.537 1.00 51.45 N ATOM 264 CA ARG A 17 -6.561 -4.325 -12.378 1.00 1.53 C ATOM 265 C ARG A 17 -6.632 -5.087 -13.710 1.00 22.34 C ATOM 266 O ARG A 17 -7.616 -4.988 -14.445 1.00 43.24 O ATOM 267 CB ARG A 17 -7.594 -4.934 -11.418 1.00 54.44 C ATOM 268 CG ARG A 17 -7.498 -4.422 -9.989 1.00 75.10 C ATOM 269 CD ARG A 17 -8.614 -4.991 -9.113 1.00 53.43 C ATOM 270 NE ARG A 17 -9.934 -4.552 -9.555 1.00 23.45 N ATOM 271 CZ ARG A 17 -10.993 -5.304 -9.594 1.00 21.33 C ATOM 272 NH1 ARG A 17 -10.943 -6.545 -9.226 1.00 64.21 N ATOM 273 NH2 ARG A 17 -12.110 -4.803 -10.002 1.00 5.30 N ATOM 0 H ARG A 17 -7.801 -2.638 -12.578 1.00 51.45 H new ATOM 0 HA ARG A 17 -5.551 -4.424 -11.980 1.00 1.53 H new ATOM 0 HB2 ARG A 17 -8.594 -4.727 -11.799 1.00 54.44 H new ATOM 0 HB3 ARG A 17 -7.473 -6.017 -11.412 1.00 54.44 H new ATOM 0 HG2 ARG A 17 -6.530 -4.694 -9.568 1.00 75.10 H new ATOM 0 HG3 ARG A 17 -7.552 -3.333 -9.987 1.00 75.10 H new ATOM 0 HD2 ARG A 17 -8.569 -6.080 -9.131 1.00 53.43 H new ATOM 0 HD3 ARG A 17 -8.457 -4.682 -8.079 1.00 53.43 H new ATOM 0 HE ARG A 17 -10.033 -3.582 -9.856 1.00 23.45 H new ATOM 0 HH11 ARG A 17 -10.063 -6.945 -8.900 1.00 64.21 H new ATOM 0 HH12 ARG A 17 -11.783 -7.122 -9.263 1.00 64.21 H new ATOM 0 HH21 ARG A 17 -12.156 -3.826 -10.290 1.00 5.30 H new ATOM 0 HH22 ARG A 17 -12.947 -5.384 -10.037 1.00 5.30 H new ATOM 287 N GLU A 18 -5.592 -5.866 -14.006 1.00 23.24 N ATOM 288 CA GLU A 18 -5.636 -6.817 -15.123 1.00 4.12 C ATOM 289 C GLU A 18 -6.232 -8.160 -14.659 1.00 11.13 C ATOM 290 O GLU A 18 -6.692 -8.971 -15.466 1.00 52.23 O ATOM 291 CB GLU A 18 -4.229 -7.039 -15.702 1.00 3.35 C ATOM 292 CG GLU A 18 -3.241 -7.650 -14.711 1.00 31.44 C ATOM 293 CD GLU A 18 -1.937 -8.077 -15.368 1.00 60.23 C ATOM 294 OE1 GLU A 18 -1.926 -9.132 -16.039 1.00 54.53 O ATOM 295 OE2 GLU A 18 -0.921 -7.364 -15.219 1.00 62.41 O ATOM 0 H GLU A 18 -4.711 -5.860 -13.492 1.00 23.24 H new ATOM 0 HA GLU A 18 -6.271 -6.398 -15.903 1.00 4.12 H new ATOM 0 HB2 GLU A 18 -4.304 -7.690 -16.573 1.00 3.35 H new ATOM 0 HB3 GLU A 18 -3.835 -6.084 -16.050 1.00 3.35 H new ATOM 0 HG2 GLU A 18 -3.027 -6.926 -13.925 1.00 31.44 H new ATOM 0 HG3 GLU A 18 -3.701 -8.514 -14.232 1.00 31.44 H new ATOM 302 N ARG A 19 -6.214 -8.380 -13.340 1.00 62.23 N ATOM 303 CA ARG A 19 -6.723 -9.619 -12.733 1.00 51.10 C ATOM 304 C ARG A 19 -7.640 -9.313 -11.532 1.00 52.12 C ATOM 305 O ARG A 19 -7.502 -8.271 -10.891 1.00 71.30 O ATOM 306 CB ARG A 19 -5.547 -10.493 -12.262 1.00 70.52 C ATOM 307 CG ARG A 19 -4.538 -10.818 -13.357 1.00 42.43 C ATOM 308 CD ARG A 19 -3.295 -11.498 -12.797 1.00 75.12 C ATOM 309 NE ARG A 19 -2.269 -11.680 -13.819 1.00 71.43 N ATOM 310 CZ ARG A 19 -1.000 -11.817 -13.564 1.00 24.42 C ATOM 311 NH1 ARG A 19 -0.564 -11.797 -12.347 1.00 24.21 N ATOM 312 NH2 ARG A 19 -0.164 -11.965 -14.535 1.00 20.13 N ATOM 0 H ARG A 19 -5.848 -7.709 -12.664 1.00 62.23 H new ATOM 0 HA ARG A 19 -7.302 -10.150 -13.488 1.00 51.10 H new ATOM 0 HB2 ARG A 19 -5.032 -9.983 -11.448 1.00 70.52 H new ATOM 0 HB3 ARG A 19 -5.940 -11.425 -11.856 1.00 70.52 H new ATOM 0 HG2 ARG A 19 -5.004 -11.466 -14.100 1.00 42.43 H new ATOM 0 HG3 ARG A 19 -4.250 -9.900 -13.870 1.00 42.43 H new ATOM 0 HD2 ARG A 19 -2.891 -10.901 -11.979 1.00 75.12 H new ATOM 0 HD3 ARG A 19 -3.568 -12.467 -12.379 1.00 75.12 H new ATOM 0 HE ARG A 19 -2.565 -11.701 -14.795 1.00 71.43 H new ATOM 0 HH11 ARG A 19 -1.217 -11.673 -11.573 1.00 24.21 H new ATOM 0 HH12 ARG A 19 0.433 -11.905 -12.161 1.00 24.21 H new ATOM 0 HH21 ARG A 19 -0.498 -11.974 -15.499 1.00 20.13 H new ATOM 0 HH22 ARG A 19 0.831 -12.073 -14.339 1.00 20.13 H new ATOM 326 N PRO A 20 -8.593 -10.212 -11.211 1.00 2.14 N ATOM 327 CA PRO A 20 -9.457 -10.060 -10.021 1.00 63.14 C ATOM 328 C PRO A 20 -8.659 -10.045 -8.700 1.00 50.53 C ATOM 329 O PRO A 20 -9.085 -9.445 -7.712 1.00 34.43 O ATOM 330 CB PRO A 20 -10.378 -11.291 -10.083 1.00 31.23 C ATOM 331 CG PRO A 20 -10.321 -11.749 -11.503 1.00 40.21 C ATOM 332 CD PRO A 20 -8.931 -11.426 -11.980 1.00 71.43 C ATOM 0 HA PRO A 20 -9.992 -9.110 -10.032 1.00 63.14 H new ATOM 0 HB2 PRO A 20 -10.038 -12.072 -9.403 1.00 31.23 H new ATOM 0 HB3 PRO A 20 -11.397 -11.036 -9.792 1.00 31.23 H new ATOM 0 HG2 PRO A 20 -10.522 -12.818 -11.578 1.00 40.21 H new ATOM 0 HG3 PRO A 20 -11.071 -11.240 -12.109 1.00 40.21 H new ATOM 0 HD2 PRO A 20 -8.235 -12.240 -11.777 1.00 71.43 H new ATOM 0 HD3 PRO A 20 -8.904 -11.244 -13.054 1.00 71.43 H new ATOM 340 N GLU A 21 -7.502 -10.711 -8.701 1.00 52.02 N ATOM 341 CA GLU A 21 -6.612 -10.761 -7.525 1.00 0.24 C ATOM 342 C GLU A 21 -5.782 -9.472 -7.360 1.00 60.33 C ATOM 343 O GLU A 21 -5.062 -9.308 -6.374 1.00 21.33 O ATOM 344 CB GLU A 21 -5.663 -11.969 -7.640 1.00 2.12 C ATOM 345 CG GLU A 21 -6.335 -13.332 -7.468 1.00 60.12 C ATOM 346 CD GLU A 21 -7.501 -13.563 -8.420 1.00 22.51 C ATOM 347 OE1 GLU A 21 -7.290 -13.541 -9.653 1.00 20.34 O ATOM 348 OE2 GLU A 21 -8.636 -13.776 -7.935 1.00 42.03 O ATOM 0 H GLU A 21 -7.152 -11.229 -9.507 1.00 52.02 H new ATOM 0 HA GLU A 21 -7.247 -10.860 -6.644 1.00 0.24 H new ATOM 0 HB2 GLU A 21 -5.177 -11.940 -8.615 1.00 2.12 H new ATOM 0 HB3 GLU A 21 -4.878 -11.869 -6.890 1.00 2.12 H new ATOM 0 HG2 GLU A 21 -5.592 -14.115 -7.620 1.00 60.12 H new ATOM 0 HG3 GLU A 21 -6.691 -13.425 -6.442 1.00 60.12 H new ATOM 355 N ASP A 22 -5.883 -8.571 -8.334 1.00 3.43 N ATOM 356 CA ASP A 22 -5.123 -7.315 -8.322 1.00 43.21 C ATOM 357 C ASP A 22 -5.876 -6.244 -7.492 1.00 24.24 C ATOM 358 O ASP A 22 -6.985 -6.494 -7.011 1.00 61.22 O ATOM 359 CB ASP A 22 -4.921 -6.859 -9.780 1.00 61.24 C ATOM 360 CG ASP A 22 -3.620 -6.113 -10.021 1.00 42.02 C ATOM 361 OD1 ASP A 22 -3.202 -5.329 -9.150 1.00 43.20 O ATOM 362 OD2 ASP A 22 -3.023 -6.301 -11.104 1.00 0.34 O ATOM 0 H ASP A 22 -6.487 -8.685 -9.148 1.00 3.43 H new ATOM 0 HA ASP A 22 -4.149 -7.462 -7.854 1.00 43.21 H new ATOM 0 HB2 ASP A 22 -4.952 -7.733 -10.431 1.00 61.24 H new ATOM 0 HB3 ASP A 22 -5.754 -6.218 -10.068 1.00 61.24 H new ATOM 367 N LEU A 23 -5.295 -5.053 -7.333 1.00 65.23 N ATOM 368 CA LEU A 23 -5.914 -3.989 -6.517 1.00 73.50 C ATOM 369 C LEU A 23 -5.980 -2.638 -7.264 1.00 73.20 C ATOM 370 O LEU A 23 -4.970 -2.138 -7.755 1.00 63.43 O ATOM 371 CB LEU A 23 -5.132 -3.824 -5.202 1.00 51.23 C ATOM 372 CG LEU A 23 -5.627 -2.703 -4.271 1.00 23.33 C ATOM 373 CD1 LEU A 23 -7.107 -2.879 -3.951 1.00 51.25 C ATOM 374 CD2 LEU A 23 -4.801 -2.663 -2.986 1.00 21.35 C ATOM 0 H LEU A 23 -4.402 -4.795 -7.753 1.00 65.23 H new ATOM 0 HA LEU A 23 -6.940 -4.292 -6.307 1.00 73.50 H new ATOM 0 HB2 LEU A 23 -5.169 -4.767 -4.657 1.00 51.23 H new ATOM 0 HB3 LEU A 23 -4.086 -3.636 -5.443 1.00 51.23 H new ATOM 0 HG LEU A 23 -5.501 -1.752 -4.789 1.00 23.33 H new ATOM 0 HD11 LEU A 23 -7.435 -2.075 -3.292 1.00 51.25 H new ATOM 0 HD12 LEU A 23 -7.685 -2.849 -4.875 1.00 51.25 H new ATOM 0 HD13 LEU A 23 -7.261 -3.839 -3.458 1.00 51.25 H new ATOM 0 HD21 LEU A 23 -5.168 -1.863 -2.342 1.00 21.35 H new ATOM 0 HD22 LEU A 23 -4.890 -3.617 -2.466 1.00 21.35 H new ATOM 0 HD23 LEU A 23 -3.755 -2.480 -3.231 1.00 21.35 H new ATOM 386 N GLU A 24 -7.186 -2.053 -7.343 1.00 45.14 N ATOM 387 CA GLU A 24 -7.374 -0.724 -7.958 1.00 4.12 C ATOM 388 C GLU A 24 -7.156 0.406 -6.939 1.00 4.12 C ATOM 389 O GLU A 24 -7.710 0.385 -5.837 1.00 25.21 O ATOM 390 CB GLU A 24 -8.779 -0.593 -8.575 1.00 2.23 C ATOM 391 CG GLU A 24 -8.958 -1.368 -9.873 1.00 23.21 C ATOM 392 CD GLU A 24 -10.361 -1.262 -10.455 1.00 51.43 C ATOM 393 OE1 GLU A 24 -11.249 -2.026 -10.017 1.00 31.24 O ATOM 394 OE2 GLU A 24 -10.571 -0.436 -11.366 1.00 22.14 O ATOM 0 H GLU A 24 -8.045 -2.476 -6.991 1.00 45.14 H new ATOM 0 HA GLU A 24 -6.627 -0.631 -8.746 1.00 4.12 H new ATOM 0 HB2 GLU A 24 -9.517 -0.940 -7.851 1.00 2.23 H new ATOM 0 HB3 GLU A 24 -8.987 0.461 -8.761 1.00 2.23 H new ATOM 0 HG2 GLU A 24 -8.240 -1.002 -10.607 1.00 23.21 H new ATOM 0 HG3 GLU A 24 -8.725 -2.418 -9.695 1.00 23.21 H new ATOM 401 N LEU A 25 -6.353 1.391 -7.330 1.00 35.42 N ATOM 402 CA LEU A 25 -6.055 2.553 -6.482 1.00 42.43 C ATOM 403 C LEU A 25 -6.505 3.852 -7.160 1.00 23.03 C ATOM 404 O LEU A 25 -6.326 4.020 -8.366 1.00 52.42 O ATOM 405 CB LEU A 25 -4.544 2.626 -6.200 1.00 2.32 C ATOM 406 CG LEU A 25 -3.917 1.357 -5.600 1.00 54.14 C ATOM 407 CD1 LEU A 25 -2.424 1.550 -5.354 1.00 74.40 C ATOM 408 CD2 LEU A 25 -4.634 0.949 -4.314 1.00 33.20 C ATOM 0 H LEU A 25 -5.890 1.412 -8.238 1.00 35.42 H new ATOM 0 HA LEU A 25 -6.599 2.437 -5.545 1.00 42.43 H new ATOM 0 HB2 LEU A 25 -4.030 2.857 -7.133 1.00 2.32 H new ATOM 0 HB3 LEU A 25 -4.360 3.457 -5.519 1.00 2.32 H new ATOM 0 HG LEU A 25 -4.037 0.550 -6.322 1.00 54.14 H new ATOM 0 HD11 LEU A 25 -2.004 0.638 -4.929 1.00 74.40 H new ATOM 0 HD12 LEU A 25 -1.926 1.774 -6.297 1.00 74.40 H new ATOM 0 HD13 LEU A 25 -2.274 2.376 -4.659 1.00 74.40 H new ATOM 0 HD21 LEU A 25 -4.171 0.049 -3.909 1.00 33.20 H new ATOM 0 HD22 LEU A 25 -4.559 1.755 -3.584 1.00 33.20 H new ATOM 0 HD23 LEU A 25 -5.684 0.752 -4.530 1.00 33.20 H new ATOM 420 N LEU A 26 -7.103 4.761 -6.394 1.00 33.11 N ATOM 421 CA LEU A 26 -7.482 6.084 -6.907 1.00 3.53 C ATOM 422 C LEU A 26 -6.744 7.200 -6.143 1.00 71.53 C ATOM 423 O LEU A 26 -6.491 7.083 -4.941 1.00 41.40 O ATOM 424 CB LEU A 26 -9.007 6.291 -6.817 1.00 13.01 C ATOM 425 CG LEU A 26 -9.858 5.555 -7.877 1.00 12.20 C ATOM 426 CD1 LEU A 26 -9.409 5.926 -9.289 1.00 71.11 C ATOM 427 CD2 LEU A 26 -9.813 4.040 -7.676 1.00 3.12 C ATOM 0 H LEU A 26 -7.338 4.609 -5.413 1.00 33.11 H new ATOM 0 HA LEU A 26 -7.189 6.133 -7.956 1.00 3.53 H new ATOM 0 HB2 LEU A 26 -9.339 5.972 -5.829 1.00 13.01 H new ATOM 0 HB3 LEU A 26 -9.213 7.359 -6.893 1.00 13.01 H new ATOM 0 HG LEU A 26 -10.892 5.877 -7.750 1.00 12.20 H new ATOM 0 HD11 LEU A 26 -10.023 5.396 -10.017 1.00 71.11 H new ATOM 0 HD12 LEU A 26 -9.519 7.000 -9.435 1.00 71.11 H new ATOM 0 HD13 LEU A 26 -8.364 5.647 -9.424 1.00 71.11 H new ATOM 0 HD21 LEU A 26 -10.422 3.554 -8.438 1.00 3.12 H new ATOM 0 HD22 LEU A 26 -8.783 3.693 -7.758 1.00 3.12 H new ATOM 0 HD23 LEU A 26 -10.202 3.792 -6.688 1.00 3.12 H new ATOM 439 N PRO A 27 -6.389 8.307 -6.829 1.00 54.22 N ATOM 440 CA PRO A 27 -5.611 9.398 -6.216 1.00 25.41 C ATOM 441 C PRO A 27 -6.355 10.098 -5.061 1.00 3.32 C ATOM 442 O PRO A 27 -7.297 10.864 -5.282 1.00 72.44 O ATOM 443 CB PRO A 27 -5.370 10.369 -7.384 1.00 1.41 C ATOM 444 CG PRO A 27 -6.455 10.066 -8.366 1.00 2.45 C ATOM 445 CD PRO A 27 -6.720 8.589 -8.239 1.00 71.03 C ATOM 0 HA PRO A 27 -4.694 9.027 -5.758 1.00 25.41 H new ATOM 0 HB2 PRO A 27 -5.416 11.406 -7.052 1.00 1.41 H new ATOM 0 HB3 PRO A 27 -4.385 10.219 -7.825 1.00 1.41 H new ATOM 0 HG2 PRO A 27 -7.353 10.645 -8.148 1.00 2.45 H new ATOM 0 HG3 PRO A 27 -6.148 10.323 -9.380 1.00 2.45 H new ATOM 0 HD2 PRO A 27 -7.758 8.345 -8.465 1.00 71.03 H new ATOM 0 HD3 PRO A 27 -6.100 8.008 -8.922 1.00 71.03 H new ATOM 453 N GLY A 28 -5.924 9.828 -3.830 1.00 54.21 N ATOM 454 CA GLY A 28 -6.560 10.422 -2.654 1.00 61.14 C ATOM 455 C GLY A 28 -6.881 9.402 -1.562 1.00 12.02 C ATOM 456 O GLY A 28 -7.041 9.765 -0.393 1.00 1.31 O ATOM 0 H GLY A 28 -5.143 9.206 -3.621 1.00 54.21 H new ATOM 0 HA2 GLY A 28 -5.904 11.190 -2.243 1.00 61.14 H new ATOM 0 HA3 GLY A 28 -7.481 10.919 -2.959 1.00 61.14 H new ATOM 460 N ASP A 29 -6.973 8.125 -1.938 1.00 44.41 N ATOM 461 CA ASP A 29 -7.316 7.058 -0.987 1.00 54.44 C ATOM 462 C ASP A 29 -6.260 6.890 0.116 1.00 24.32 C ATOM 463 O ASP A 29 -5.055 7.002 -0.131 1.00 23.31 O ATOM 464 CB ASP A 29 -7.490 5.722 -1.714 1.00 61.42 C ATOM 465 CG ASP A 29 -8.599 5.755 -2.746 1.00 1.11 C ATOM 466 OD1 ASP A 29 -9.626 6.424 -2.498 1.00 63.23 O ATOM 467 OD2 ASP A 29 -8.458 5.082 -3.787 1.00 31.12 O ATOM 0 H ASP A 29 -6.816 7.802 -2.892 1.00 44.41 H new ATOM 0 HA ASP A 29 -8.254 7.356 -0.518 1.00 54.44 H new ATOM 0 HB2 ASP A 29 -6.553 5.455 -2.203 1.00 61.42 H new ATOM 0 HB3 ASP A 29 -7.703 4.941 -0.984 1.00 61.42 H new ATOM 472 N VAL A 30 -6.728 6.611 1.329 1.00 62.25 N ATOM 473 CA VAL A 30 -5.848 6.301 2.456 1.00 40.51 C ATOM 474 C VAL A 30 -5.692 4.776 2.616 1.00 2.12 C ATOM 475 O VAL A 30 -6.560 4.107 3.177 1.00 43.35 O ATOM 476 CB VAL A 30 -6.393 6.912 3.773 1.00 75.14 C ATOM 477 CG1 VAL A 30 -5.516 6.526 4.960 1.00 23.42 C ATOM 478 CG2 VAL A 30 -6.506 8.432 3.658 1.00 52.34 C ATOM 0 H VAL A 30 -7.721 6.593 1.560 1.00 62.25 H new ATOM 0 HA VAL A 30 -4.873 6.740 2.247 1.00 40.51 H new ATOM 0 HB VAL A 30 -7.390 6.506 3.944 1.00 75.14 H new ATOM 0 HG11 VAL A 30 -5.921 6.968 5.870 1.00 23.42 H new ATOM 0 HG12 VAL A 30 -5.497 5.441 5.061 1.00 23.42 H new ATOM 0 HG13 VAL A 30 -4.503 6.893 4.798 1.00 23.42 H new ATOM 0 HG21 VAL A 30 -6.890 8.840 4.593 1.00 52.34 H new ATOM 0 HG22 VAL A 30 -5.523 8.856 3.454 1.00 52.34 H new ATOM 0 HG23 VAL A 30 -7.186 8.686 2.845 1.00 52.34 H new ATOM 488 N LEU A 31 -4.593 4.233 2.100 1.00 32.14 N ATOM 489 CA LEU A 31 -4.366 2.782 2.105 1.00 34.52 C ATOM 490 C LEU A 31 -3.887 2.285 3.477 1.00 5.31 C ATOM 491 O LEU A 31 -2.807 2.652 3.941 1.00 51.20 O ATOM 492 CB LEU A 31 -3.348 2.385 1.022 1.00 20.45 C ATOM 493 CG LEU A 31 -3.836 2.513 -0.434 1.00 22.34 C ATOM 494 CD1 LEU A 31 -4.097 3.968 -0.813 1.00 61.32 C ATOM 495 CD2 LEU A 31 -2.830 1.880 -1.390 1.00 72.55 C ATOM 0 H LEU A 31 -3.841 4.773 1.671 1.00 32.14 H new ATOM 0 HA LEU A 31 -5.323 2.307 1.888 1.00 34.52 H new ATOM 0 HB2 LEU A 31 -2.458 3.002 1.143 1.00 20.45 H new ATOM 0 HB3 LEU A 31 -3.046 1.352 1.195 1.00 20.45 H new ATOM 0 HG LEU A 31 -4.782 1.978 -0.516 1.00 22.34 H new ATOM 0 HD11 LEU A 31 -4.440 4.019 -1.847 1.00 61.32 H new ATOM 0 HD12 LEU A 31 -4.861 4.384 -0.156 1.00 61.32 H new ATOM 0 HD13 LEU A 31 -3.177 4.542 -0.707 1.00 61.32 H new ATOM 0 HD21 LEU A 31 -3.190 1.979 -2.414 1.00 72.55 H new ATOM 0 HD22 LEU A 31 -1.869 2.384 -1.293 1.00 72.55 H new ATOM 0 HD23 LEU A 31 -2.712 0.824 -1.147 1.00 72.55 H new ATOM 507 N VAL A 32 -4.691 1.441 4.111 1.00 60.14 N ATOM 508 CA VAL A 32 -4.363 0.902 5.433 1.00 5.13 C ATOM 509 C VAL A 32 -3.659 -0.463 5.327 1.00 11.25 C ATOM 510 O VAL A 32 -4.230 -1.433 4.827 1.00 52.45 O ATOM 511 CB VAL A 32 -5.635 0.761 6.306 1.00 2.45 C ATOM 512 CG1 VAL A 32 -5.291 0.188 7.679 1.00 45.45 C ATOM 513 CG2 VAL A 32 -6.348 2.109 6.435 1.00 65.41 C ATOM 0 H VAL A 32 -5.579 1.111 3.733 1.00 60.14 H new ATOM 0 HA VAL A 32 -3.681 1.609 5.906 1.00 5.13 H new ATOM 0 HB VAL A 32 -6.314 0.063 5.815 1.00 2.45 H new ATOM 0 HG11 VAL A 32 -6.200 0.098 8.274 1.00 45.45 H new ATOM 0 HG12 VAL A 32 -4.837 -0.796 7.559 1.00 45.45 H new ATOM 0 HG13 VAL A 32 -4.590 0.852 8.185 1.00 45.45 H new ATOM 0 HG21 VAL A 32 -7.239 1.992 7.051 1.00 65.41 H new ATOM 0 HG22 VAL A 32 -5.678 2.832 6.900 1.00 65.41 H new ATOM 0 HG23 VAL A 32 -6.635 2.465 5.446 1.00 65.41 H new ATOM 523 N VAL A 33 -2.413 -0.523 5.797 1.00 72.44 N ATOM 524 CA VAL A 33 -1.629 -1.765 5.790 1.00 41.20 C ATOM 525 C VAL A 33 -1.309 -2.226 7.220 1.00 25.35 C ATOM 526 O VAL A 33 -0.722 -1.480 8.004 1.00 31.24 O ATOM 527 CB VAL A 33 -0.300 -1.588 5.007 1.00 50.14 C ATOM 528 CG1 VAL A 33 0.563 -2.850 5.081 1.00 1.14 C ATOM 529 CG2 VAL A 33 -0.577 -1.206 3.554 1.00 44.24 C ATOM 0 H VAL A 33 -1.919 0.278 6.191 1.00 72.44 H new ATOM 0 HA VAL A 33 -2.238 -2.522 5.295 1.00 41.20 H new ATOM 0 HB VAL A 33 0.258 -0.777 5.476 1.00 50.14 H new ATOM 0 HG11 VAL A 33 1.486 -2.693 4.523 1.00 1.14 H new ATOM 0 HG12 VAL A 33 0.801 -3.067 6.122 1.00 1.14 H new ATOM 0 HG13 VAL A 33 0.017 -3.690 4.651 1.00 1.14 H new ATOM 0 HG21 VAL A 33 0.367 -1.087 3.023 1.00 44.24 H new ATOM 0 HG22 VAL A 33 -1.165 -1.990 3.077 1.00 44.24 H new ATOM 0 HG23 VAL A 33 -1.131 -0.268 3.524 1.00 44.24 H new ATOM 539 N SER A 34 -1.704 -3.452 7.559 1.00 31.11 N ATOM 540 CA SER A 34 -1.393 -4.029 8.876 1.00 30.31 C ATOM 541 C SER A 34 0.120 -4.256 9.030 1.00 43.42 C ATOM 542 O SER A 34 0.754 -4.845 8.153 1.00 1.45 O ATOM 543 CB SER A 34 -2.139 -5.358 9.069 1.00 34.21 C ATOM 544 OG SER A 34 -3.545 -5.193 8.929 1.00 12.44 O ATOM 0 H SER A 34 -2.239 -4.067 6.946 1.00 31.11 H new ATOM 0 HA SER A 34 -1.720 -3.322 9.639 1.00 30.31 H new ATOM 0 HB2 SER A 34 -1.783 -6.085 8.340 1.00 34.21 H new ATOM 0 HB3 SER A 34 -1.916 -5.761 10.057 1.00 34.21 H new ATOM 0 HG SER A 34 -3.990 -6.057 9.056 1.00 12.44 H new ATOM 550 N ARG A 35 0.691 -3.805 10.150 1.00 63.04 N ATOM 551 CA ARG A 35 2.142 -3.893 10.376 1.00 24.45 C ATOM 552 C ARG A 35 2.663 -5.334 10.220 1.00 51.24 C ATOM 553 O ARG A 35 3.784 -5.554 9.754 1.00 34.25 O ATOM 554 CB ARG A 35 2.502 -3.341 11.764 1.00 1.41 C ATOM 555 CG ARG A 35 4.001 -3.342 12.055 1.00 35.24 C ATOM 556 CD ARG A 35 4.325 -2.724 13.410 1.00 13.34 C ATOM 557 NE ARG A 35 3.684 -3.441 14.508 1.00 61.21 N ATOM 558 CZ ARG A 35 4.092 -3.405 15.746 1.00 45.31 C ATOM 559 NH1 ARG A 35 5.149 -2.732 16.072 1.00 74.21 N ATOM 560 NH2 ARG A 35 3.448 -4.059 16.653 1.00 5.01 N ATOM 0 H ARG A 35 0.173 -3.375 10.916 1.00 63.04 H new ATOM 0 HA ARG A 35 2.629 -3.285 9.613 1.00 24.45 H new ATOM 0 HB2 ARG A 35 2.125 -2.322 11.849 1.00 1.41 H new ATOM 0 HB3 ARG A 35 1.993 -3.933 12.524 1.00 1.41 H new ATOM 0 HG2 ARG A 35 4.374 -4.366 12.026 1.00 35.24 H new ATOM 0 HG3 ARG A 35 4.522 -2.790 11.272 1.00 35.24 H new ATOM 0 HD2 ARG A 35 5.405 -2.724 13.559 1.00 13.34 H new ATOM 0 HD3 ARG A 35 4.002 -1.683 13.420 1.00 13.34 H new ATOM 0 HE ARG A 35 2.863 -4.007 14.293 1.00 61.21 H new ATOM 0 HH11 ARG A 35 5.670 -2.224 15.358 1.00 74.21 H new ATOM 0 HH12 ARG A 35 5.460 -2.710 17.043 1.00 74.21 H new ATOM 0 HH21 ARG A 35 2.622 -4.602 16.401 1.00 5.01 H new ATOM 0 HH22 ARG A 35 3.765 -4.033 17.622 1.00 5.01 H new ATOM 574 N ALA A 36 1.842 -6.311 10.602 1.00 62.03 N ATOM 575 CA ALA A 36 2.192 -7.726 10.434 1.00 34.14 C ATOM 576 C ALA A 36 2.529 -8.064 8.967 1.00 21.31 C ATOM 577 O ALA A 36 3.420 -8.870 8.692 1.00 54.51 O ATOM 578 CB ALA A 36 1.056 -8.609 10.941 1.00 2.32 C ATOM 0 H ALA A 36 0.930 -6.152 11.030 1.00 62.03 H new ATOM 0 HA ALA A 36 3.087 -7.921 11.024 1.00 34.14 H new ATOM 0 HB1 ALA A 36 1.325 -9.657 10.812 1.00 2.32 H new ATOM 0 HB2 ALA A 36 0.881 -8.406 11.998 1.00 2.32 H new ATOM 0 HB3 ALA A 36 0.149 -8.395 10.376 1.00 2.32 H new ATOM 584 N ALA A 37 1.826 -7.427 8.030 1.00 12.54 N ATOM 585 CA ALA A 37 2.057 -7.653 6.598 1.00 63.11 C ATOM 586 C ALA A 37 3.465 -7.202 6.171 1.00 72.43 C ATOM 587 O ALA A 37 4.091 -7.820 5.309 1.00 43.20 O ATOM 588 CB ALA A 37 0.997 -6.933 5.777 1.00 14.12 C ATOM 0 H ALA A 37 1.091 -6.750 8.234 1.00 12.54 H new ATOM 0 HA ALA A 37 1.986 -8.725 6.413 1.00 63.11 H new ATOM 0 HB1 ALA A 37 1.178 -7.107 4.716 1.00 14.12 H new ATOM 0 HB2 ALA A 37 0.010 -7.312 6.044 1.00 14.12 H new ATOM 0 HB3 ALA A 37 1.042 -5.863 5.982 1.00 14.12 H new ATOM 594 N LEU A 38 3.959 -6.129 6.787 1.00 53.10 N ATOM 595 CA LEU A 38 5.307 -5.616 6.504 1.00 34.32 C ATOM 596 C LEU A 38 6.381 -6.668 6.835 1.00 51.34 C ATOM 597 O LEU A 38 7.328 -6.872 6.069 1.00 24.13 O ATOM 598 CB LEU A 38 5.557 -4.326 7.297 1.00 1.14 C ATOM 599 CG LEU A 38 4.587 -3.172 6.983 1.00 12.24 C ATOM 600 CD1 LEU A 38 4.869 -1.973 7.879 1.00 53.00 C ATOM 601 CD2 LEU A 38 4.670 -2.778 5.507 1.00 30.42 C ATOM 0 H LEU A 38 3.447 -5.594 7.488 1.00 53.10 H new ATOM 0 HA LEU A 38 5.372 -5.395 5.439 1.00 34.32 H new ATOM 0 HB2 LEU A 38 5.495 -4.554 8.361 1.00 1.14 H new ATOM 0 HB3 LEU A 38 6.575 -3.989 7.102 1.00 1.14 H new ATOM 0 HG LEU A 38 3.573 -3.517 7.184 1.00 12.24 H new ATOM 0 HD11 LEU A 38 4.173 -1.169 7.641 1.00 53.00 H new ATOM 0 HD12 LEU A 38 4.746 -2.262 8.923 1.00 53.00 H new ATOM 0 HD13 LEU A 38 5.890 -1.629 7.716 1.00 53.00 H new ATOM 0 HD21 LEU A 38 3.976 -1.961 5.309 1.00 30.42 H new ATOM 0 HD22 LEU A 38 5.685 -2.457 5.273 1.00 30.42 H new ATOM 0 HD23 LEU A 38 4.408 -3.635 4.886 1.00 30.42 H new ATOM 613 N GLN A 39 6.222 -7.343 7.973 1.00 51.41 N ATOM 614 CA GLN A 39 7.115 -8.449 8.341 1.00 4.54 C ATOM 615 C GLN A 39 6.924 -9.648 7.395 1.00 60.24 C ATOM 616 O GLN A 39 7.882 -10.348 7.064 1.00 45.23 O ATOM 617 CB GLN A 39 6.888 -8.874 9.801 1.00 14.11 C ATOM 618 CG GLN A 39 7.361 -7.841 10.821 1.00 53.42 C ATOM 619 CD GLN A 39 7.240 -8.331 12.257 1.00 22.32 C ATOM 620 OE1 GLN A 39 8.152 -8.956 12.794 1.00 24.25 O ATOM 621 NE2 GLN A 39 6.121 -8.045 12.894 1.00 61.23 N ATOM 0 H GLN A 39 5.489 -7.148 8.655 1.00 51.41 H new ATOM 0 HA GLN A 39 8.142 -8.096 8.243 1.00 4.54 H new ATOM 0 HB2 GLN A 39 5.825 -9.063 9.954 1.00 14.11 H new ATOM 0 HB3 GLN A 39 7.408 -9.815 9.982 1.00 14.11 H new ATOM 0 HG2 GLN A 39 8.400 -7.584 10.616 1.00 53.42 H new ATOM 0 HG3 GLN A 39 6.778 -6.928 10.703 1.00 53.42 H new ATOM 0 HE21 GLN A 39 5.383 -7.525 12.420 1.00 61.23 H new ATOM 0 HE22 GLN A 39 5.994 -8.344 13.861 1.00 61.23 H new ATOM 630 N ALA A 40 5.684 -9.873 6.956 1.00 51.42 N ATOM 631 CA ALA A 40 5.386 -10.918 5.965 1.00 23.30 C ATOM 632 C ALA A 40 6.114 -10.657 4.634 1.00 12.41 C ATOM 633 O ALA A 40 6.516 -11.591 3.936 1.00 62.44 O ATOM 634 CB ALA A 40 3.880 -11.020 5.739 1.00 23.32 C ATOM 0 H ALA A 40 4.868 -9.348 7.269 1.00 51.42 H new ATOM 0 HA ALA A 40 5.749 -11.867 6.360 1.00 23.30 H new ATOM 0 HB1 ALA A 40 3.674 -11.797 5.003 1.00 23.32 H new ATOM 0 HB2 ALA A 40 3.387 -11.270 6.679 1.00 23.32 H new ATOM 0 HB3 ALA A 40 3.501 -10.065 5.374 1.00 23.32 H new ATOM 640 N LEU A 41 6.276 -9.381 4.286 1.00 34.14 N ATOM 641 CA LEU A 41 7.025 -8.987 3.084 1.00 73.13 C ATOM 642 C LEU A 41 8.539 -9.135 3.282 1.00 64.43 C ATOM 643 O LEU A 41 9.283 -9.366 2.326 1.00 62.22 O ATOM 644 CB LEU A 41 6.722 -7.526 2.726 1.00 51.24 C ATOM 645 CG LEU A 41 5.266 -7.217 2.361 1.00 63.04 C ATOM 646 CD1 LEU A 41 5.078 -5.714 2.158 1.00 25.20 C ATOM 647 CD2 LEU A 41 4.851 -7.994 1.112 1.00 63.42 C ATOM 0 H LEU A 41 5.899 -8.597 4.819 1.00 34.14 H new ATOM 0 HA LEU A 41 6.709 -9.650 2.279 1.00 73.13 H new ATOM 0 HB2 LEU A 41 7.006 -6.898 3.571 1.00 51.24 H new ATOM 0 HB3 LEU A 41 7.356 -7.238 1.887 1.00 51.24 H new ATOM 0 HG LEU A 41 4.624 -7.533 3.183 1.00 63.04 H new ATOM 0 HD11 LEU A 41 4.039 -5.509 1.899 1.00 25.20 H new ATOM 0 HD12 LEU A 41 5.333 -5.188 3.078 1.00 25.20 H new ATOM 0 HD13 LEU A 41 5.727 -5.372 1.352 1.00 25.20 H new ATOM 0 HD21 LEU A 41 3.814 -7.763 0.867 1.00 63.42 H new ATOM 0 HD22 LEU A 41 5.493 -7.711 0.278 1.00 63.42 H new ATOM 0 HD23 LEU A 41 4.950 -9.063 1.299 1.00 63.42 H new ATOM 659 N GLY A 42 8.988 -8.995 4.527 1.00 23.11 N ATOM 660 CA GLY A 42 10.417 -8.986 4.816 1.00 63.31 C ATOM 661 C GLY A 42 11.014 -7.584 4.734 1.00 54.15 C ATOM 662 O GLY A 42 12.156 -7.402 4.299 1.00 3.31 O ATOM 0 H GLY A 42 8.388 -8.887 5.345 1.00 23.11 H new ATOM 0 HA2 GLY A 42 10.587 -9.393 5.813 1.00 63.31 H new ATOM 0 HA3 GLY A 42 10.932 -9.640 4.112 1.00 63.31 H new ATOM 666 N VAL A 43 10.227 -6.584 5.141 1.00 41.02 N ATOM 667 CA VAL A 43 10.669 -5.187 5.129 1.00 13.34 C ATOM 668 C VAL A 43 11.636 -4.901 6.287 1.00 34.52 C ATOM 669 O VAL A 43 11.325 -5.170 7.447 1.00 42.52 O ATOM 670 CB VAL A 43 9.467 -4.210 5.224 1.00 45.13 C ATOM 671 CG1 VAL A 43 9.936 -2.755 5.175 1.00 23.54 C ATOM 672 CG2 VAL A 43 8.451 -4.491 4.115 1.00 50.33 C ATOM 0 H VAL A 43 9.276 -6.717 5.484 1.00 41.02 H new ATOM 0 HA VAL A 43 11.183 -5.029 4.181 1.00 13.34 H new ATOM 0 HB VAL A 43 8.977 -4.372 6.184 1.00 45.13 H new ATOM 0 HG11 VAL A 43 9.073 -2.092 5.243 1.00 23.54 H new ATOM 0 HG12 VAL A 43 10.609 -2.561 6.010 1.00 23.54 H new ATOM 0 HG13 VAL A 43 10.460 -2.573 4.237 1.00 23.54 H new ATOM 0 HG21 VAL A 43 7.617 -3.795 4.201 1.00 50.33 H new ATOM 0 HG22 VAL A 43 8.929 -4.367 3.143 1.00 50.33 H new ATOM 0 HG23 VAL A 43 8.082 -5.512 4.210 1.00 50.33 H new ATOM 682 N ALA A 44 12.800 -4.339 5.968 1.00 32.42 N ATOM 683 CA ALA A 44 13.802 -4.020 6.987 1.00 41.24 C ATOM 684 C ALA A 44 13.302 -2.919 7.933 1.00 32.41 C ATOM 685 O ALA A 44 12.557 -2.020 7.526 1.00 21.14 O ATOM 686 CB ALA A 44 15.113 -3.603 6.327 1.00 35.40 C ATOM 0 H ALA A 44 13.074 -4.095 5.016 1.00 32.42 H new ATOM 0 HA ALA A 44 13.977 -4.917 7.582 1.00 41.24 H new ATOM 0 HB1 ALA A 44 15.849 -3.369 7.096 1.00 35.40 H new ATOM 0 HB2 ALA A 44 15.484 -4.419 5.707 1.00 35.40 H new ATOM 0 HB3 ALA A 44 14.944 -2.723 5.706 1.00 35.40 H new ATOM 692 N GLU A 45 13.703 -3.003 9.199 1.00 3.11 N ATOM 693 CA GLU A 45 13.286 -2.033 10.217 1.00 74.31 C ATOM 694 C GLU A 45 13.729 -0.608 9.843 1.00 4.10 C ATOM 695 O GLU A 45 14.914 -0.340 9.651 1.00 64.14 O ATOM 696 CB GLU A 45 13.854 -2.434 11.586 1.00 2.15 C ATOM 697 CG GLU A 45 13.344 -3.786 12.082 1.00 41.40 C ATOM 698 CD GLU A 45 13.998 -4.235 13.381 1.00 10.33 C ATOM 699 OE1 GLU A 45 13.518 -3.842 14.465 1.00 44.23 O ATOM 700 OE2 GLU A 45 14.984 -4.996 13.324 1.00 63.10 O ATOM 0 H GLU A 45 14.320 -3.736 9.549 1.00 3.11 H new ATOM 0 HA GLU A 45 12.197 -2.037 10.270 1.00 74.31 H new ATOM 0 HB2 GLU A 45 14.942 -2.465 11.525 1.00 2.15 H new ATOM 0 HB3 GLU A 45 13.597 -1.667 12.317 1.00 2.15 H new ATOM 0 HG2 GLU A 45 12.265 -3.729 12.227 1.00 41.40 H new ATOM 0 HG3 GLU A 45 13.523 -4.538 11.314 1.00 41.40 H new ATOM 707 N GLY A 46 12.763 0.300 9.730 1.00 73.01 N ATOM 708 CA GLY A 46 13.054 1.662 9.291 1.00 52.02 C ATOM 709 C GLY A 46 12.767 1.878 7.804 1.00 51.02 C ATOM 710 O GLY A 46 12.667 3.014 7.342 1.00 2.41 O ATOM 0 H GLY A 46 11.780 0.120 9.934 1.00 73.01 H new ATOM 0 HA2 GLY A 46 12.459 2.363 9.877 1.00 52.02 H new ATOM 0 HA3 GLY A 46 14.101 1.888 9.491 1.00 52.02 H new ATOM 714 N GLY A 47 12.625 0.779 7.059 1.00 44.40 N ATOM 715 CA GLY A 47 12.318 0.855 5.628 1.00 75.02 C ATOM 716 C GLY A 47 10.993 1.555 5.328 1.00 33.13 C ATOM 717 O GLY A 47 10.752 1.986 4.200 1.00 71.42 O ATOM 0 H GLY A 47 12.717 -0.170 7.421 1.00 44.40 H new ATOM 0 HA2 GLY A 47 13.123 1.384 5.119 1.00 75.02 H new ATOM 0 HA3 GLY A 47 12.289 -0.154 5.216 1.00 75.02 H new ATOM 721 N GLU A 48 10.144 1.676 6.350 1.00 34.44 N ATOM 722 CA GLU A 48 8.867 2.404 6.253 1.00 12.10 C ATOM 723 C GLU A 48 9.071 3.841 5.727 1.00 42.20 C ATOM 724 O GLU A 48 8.152 4.470 5.205 1.00 63.14 O ATOM 725 CB GLU A 48 8.203 2.437 7.641 1.00 4.15 C ATOM 726 CG GLU A 48 6.830 3.099 7.674 1.00 74.53 C ATOM 727 CD GLU A 48 5.801 2.367 6.826 1.00 21.00 C ATOM 728 OE1 GLU A 48 5.289 1.326 7.282 1.00 35.21 O ATOM 729 OE2 GLU A 48 5.505 2.830 5.707 1.00 0.12 O ATOM 0 H GLU A 48 10.318 1.274 7.271 1.00 34.44 H new ATOM 0 HA GLU A 48 8.224 1.885 5.542 1.00 12.10 H new ATOM 0 HB2 GLU A 48 8.108 1.415 8.008 1.00 4.15 H new ATOM 0 HB3 GLU A 48 8.862 2.963 8.332 1.00 4.15 H new ATOM 0 HG2 GLU A 48 6.478 3.144 8.705 1.00 74.53 H new ATOM 0 HG3 GLU A 48 6.919 4.127 7.322 1.00 74.53 H new ATOM 736 N ARG A 49 10.296 4.350 5.858 1.00 41.43 N ATOM 737 CA ARG A 49 10.641 5.699 5.389 1.00 33.22 C ATOM 738 C ARG A 49 10.510 5.844 3.858 1.00 25.45 C ATOM 739 O ARG A 49 10.575 6.957 3.329 1.00 75.11 O ATOM 740 CB ARG A 49 12.069 6.046 5.831 1.00 52.31 C ATOM 741 CG ARG A 49 13.148 5.180 5.183 1.00 50.04 C ATOM 742 CD ARG A 49 14.503 5.357 5.862 1.00 42.02 C ATOM 743 NE ARG A 49 14.948 6.750 5.871 1.00 32.13 N ATOM 744 CZ ARG A 49 15.707 7.271 6.798 1.00 52.44 C ATOM 745 NH1 ARG A 49 16.131 6.552 7.789 1.00 14.40 N ATOM 746 NH2 ARG A 49 16.045 8.516 6.724 1.00 43.35 N ATOM 0 H ARG A 49 11.073 3.847 6.287 1.00 41.43 H new ATOM 0 HA ARG A 49 9.931 6.394 5.836 1.00 33.22 H new ATOM 0 HB2 ARG A 49 12.267 7.092 5.596 1.00 52.31 H new ATOM 0 HB3 ARG A 49 12.138 5.944 6.914 1.00 52.31 H new ATOM 0 HG2 ARG A 49 12.851 4.132 5.233 1.00 50.04 H new ATOM 0 HG3 ARG A 49 13.235 5.437 4.127 1.00 50.04 H new ATOM 0 HD2 ARG A 49 14.442 4.992 6.887 1.00 42.02 H new ATOM 0 HD3 ARG A 49 15.245 4.745 5.349 1.00 42.02 H new ATOM 0 HE ARG A 49 14.647 7.353 5.105 1.00 32.13 H new ATOM 0 HH11 ARG A 49 15.873 5.567 7.852 1.00 14.40 H new ATOM 0 HH12 ARG A 49 16.723 6.971 8.506 1.00 14.40 H new ATOM 0 HH21 ARG A 49 15.719 9.087 5.944 1.00 43.35 H new ATOM 0 HH22 ARG A 49 16.637 8.927 7.445 1.00 43.35 H new ATOM 760 N CYS A 50 10.342 4.723 3.148 1.00 2.54 N ATOM 761 CA CYS A 50 10.169 4.747 1.688 1.00 45.55 C ATOM 762 C CYS A 50 9.539 3.442 1.158 1.00 70.33 C ATOM 763 O CYS A 50 10.246 2.484 0.842 1.00 25.21 O ATOM 764 CB CYS A 50 11.516 4.999 0.987 1.00 64.31 C ATOM 765 SG CYS A 50 12.790 3.764 1.344 1.00 52.41 S ATOM 0 H CYS A 50 10.322 3.789 3.558 1.00 2.54 H new ATOM 0 HA CYS A 50 9.485 5.565 1.461 1.00 45.55 H new ATOM 0 HB2 CYS A 50 11.350 5.031 -0.090 1.00 64.31 H new ATOM 0 HB3 CYS A 50 11.887 5.981 1.282 1.00 64.31 H new ATOM 0 HG CYS A 50 12.230 2.609 1.546 1.00 52.41 H new ATOM 771 N PRO A 51 8.191 3.389 1.044 1.00 10.13 N ATOM 772 CA PRO A 51 7.473 2.210 0.508 1.00 61.21 C ATOM 773 C PRO A 51 7.964 1.793 -0.891 1.00 5.44 C ATOM 774 O PRO A 51 7.825 0.635 -1.293 1.00 33.51 O ATOM 775 CB PRO A 51 6.000 2.669 0.458 1.00 25.32 C ATOM 776 CG PRO A 51 6.042 4.156 0.605 1.00 74.12 C ATOM 777 CD PRO A 51 7.251 4.451 1.448 1.00 33.01 C ATOM 0 HA PRO A 51 7.634 1.328 1.128 1.00 61.21 H new ATOM 0 HB2 PRO A 51 5.530 2.380 -0.482 1.00 25.32 H new ATOM 0 HB3 PRO A 51 5.419 2.211 1.258 1.00 25.32 H new ATOM 0 HG2 PRO A 51 6.115 4.643 -0.367 1.00 74.12 H new ATOM 0 HG3 PRO A 51 5.134 4.528 1.080 1.00 74.12 H new ATOM 0 HD2 PRO A 51 7.652 5.445 1.248 1.00 33.01 H new ATOM 0 HD3 PRO A 51 7.023 4.407 2.513 1.00 33.01 H new ATOM 785 N GLN A 52 8.549 2.740 -1.624 1.00 4.14 N ATOM 786 CA GLN A 52 9.111 2.470 -2.955 1.00 72.24 C ATOM 787 C GLN A 52 10.136 1.318 -2.893 1.00 24.53 C ATOM 788 O GLN A 52 10.119 0.414 -3.730 1.00 64.01 O ATOM 789 CB GLN A 52 9.758 3.760 -3.505 1.00 33.41 C ATOM 790 CG GLN A 52 10.051 3.769 -5.011 1.00 25.23 C ATOM 791 CD GLN A 52 11.289 2.973 -5.408 1.00 10.30 C ATOM 792 OE1 GLN A 52 11.213 1.797 -5.742 1.00 2.22 O ATOM 793 NE2 GLN A 52 12.440 3.613 -5.374 1.00 53.53 N ATOM 0 H GLN A 52 8.648 3.708 -1.319 1.00 4.14 H new ATOM 0 HA GLN A 52 8.312 2.159 -3.628 1.00 72.24 H new ATOM 0 HB2 GLN A 52 9.101 4.599 -3.277 1.00 33.41 H new ATOM 0 HB3 GLN A 52 10.693 3.932 -2.971 1.00 33.41 H new ATOM 0 HG2 GLN A 52 9.188 3.366 -5.541 1.00 25.23 H new ATOM 0 HG3 GLN A 52 10.174 4.801 -5.340 1.00 25.23 H new ATOM 0 HE21 GLN A 52 12.471 4.593 -5.091 1.00 53.53 H new ATOM 0 HE22 GLN A 52 13.300 3.129 -5.630 1.00 53.53 H new ATOM 802 N SER A 53 10.994 1.339 -1.869 1.00 63.31 N ATOM 803 CA SER A 53 12.040 0.313 -1.694 1.00 24.22 C ATOM 804 C SER A 53 11.453 -1.078 -1.406 1.00 45.02 C ATOM 805 O SER A 53 12.153 -2.088 -1.508 1.00 21.22 O ATOM 806 CB SER A 53 12.994 0.708 -0.553 1.00 42.03 C ATOM 807 OG SER A 53 13.739 1.874 -0.877 1.00 23.40 O ATOM 0 H SER A 53 10.989 2.056 -1.143 1.00 63.31 H new ATOM 0 HA SER A 53 12.587 0.258 -2.635 1.00 24.22 H new ATOM 0 HB2 SER A 53 12.421 0.882 0.358 1.00 42.03 H new ATOM 0 HB3 SER A 53 13.677 -0.116 -0.347 1.00 42.03 H new ATOM 0 HG SER A 53 13.643 2.534 -0.158 1.00 23.40 H new ATOM 813 N VAL A 54 10.174 -1.131 -1.043 1.00 2.43 N ATOM 814 CA VAL A 54 9.510 -2.405 -0.739 1.00 70.44 C ATOM 815 C VAL A 54 8.975 -3.079 -2.016 1.00 4.23 C ATOM 816 O VAL A 54 8.907 -4.307 -2.105 1.00 54.30 O ATOM 817 CB VAL A 54 8.346 -2.203 0.267 1.00 71.31 C ATOM 818 CG1 VAL A 54 7.718 -3.542 0.657 1.00 13.13 C ATOM 819 CG2 VAL A 54 8.828 -1.447 1.505 1.00 33.34 C ATOM 0 H VAL A 54 9.574 -0.311 -0.951 1.00 2.43 H new ATOM 0 HA VAL A 54 10.260 -3.055 -0.288 1.00 70.44 H new ATOM 0 HB VAL A 54 7.578 -1.604 -0.222 1.00 71.31 H new ATOM 0 HG11 VAL A 54 6.905 -3.371 1.363 1.00 13.13 H new ATOM 0 HG12 VAL A 54 7.328 -4.034 -0.234 1.00 13.13 H new ATOM 0 HG13 VAL A 54 8.473 -4.177 1.120 1.00 13.13 H new ATOM 0 HG21 VAL A 54 7.997 -1.316 2.198 1.00 33.34 H new ATOM 0 HG22 VAL A 54 9.620 -2.015 1.993 1.00 33.34 H new ATOM 0 HG23 VAL A 54 9.211 -0.470 1.209 1.00 33.34 H new ATOM 829 N GLY A 55 8.604 -2.268 -3.006 1.00 40.34 N ATOM 830 CA GLY A 55 8.085 -2.800 -4.263 1.00 32.21 C ATOM 831 C GLY A 55 6.583 -3.063 -4.228 1.00 52.44 C ATOM 832 O GLY A 55 5.783 -2.172 -4.515 1.00 74.54 O ATOM 0 H GLY A 55 8.653 -1.250 -2.962 1.00 40.34 H new ATOM 0 HA2 GLY A 55 8.306 -2.097 -5.066 1.00 32.21 H new ATOM 0 HA3 GLY A 55 8.605 -3.728 -4.500 1.00 32.21 H new ATOM 836 N TRP A 56 6.195 -4.287 -3.874 1.00 43.31 N ATOM 837 CA TRP A 56 4.776 -4.664 -3.787 1.00 1.03 C ATOM 838 C TRP A 56 4.335 -4.845 -2.324 1.00 62.32 C ATOM 839 O TRP A 56 4.995 -5.534 -1.544 1.00 21.15 O ATOM 840 CB TRP A 56 4.509 -5.950 -4.580 1.00 33.32 C ATOM 841 CG TRP A 56 4.611 -5.780 -6.068 1.00 3.33 C ATOM 842 CD1 TRP A 56 4.086 -4.763 -6.813 1.00 0.14 C ATOM 843 CD2 TRP A 56 5.253 -6.666 -6.992 1.00 51.11 C ATOM 844 NE1 TRP A 56 4.378 -4.954 -8.141 1.00 64.33 N ATOM 845 CE2 TRP A 56 5.088 -6.118 -8.278 1.00 15.14 C ATOM 846 CE3 TRP A 56 5.953 -7.871 -6.855 1.00 70.55 C ATOM 847 CZ2 TRP A 56 5.600 -6.731 -9.418 1.00 45.34 C ATOM 848 CZ3 TRP A 56 6.459 -8.477 -7.989 1.00 54.33 C ATOM 849 CH2 TRP A 56 6.281 -7.907 -9.256 1.00 23.13 C ATOM 0 H TRP A 56 6.842 -5.040 -3.641 1.00 43.31 H new ATOM 0 HA TRP A 56 4.192 -3.853 -4.222 1.00 1.03 H new ATOM 0 HB2 TRP A 56 5.218 -6.715 -4.262 1.00 33.32 H new ATOM 0 HB3 TRP A 56 3.513 -6.317 -4.334 1.00 33.32 H new ATOM 0 HD1 TRP A 56 3.524 -3.931 -6.416 1.00 0.14 H new ATOM 0 HE1 TRP A 56 4.110 -4.330 -8.902 1.00 64.33 H new ATOM 0 HE3 TRP A 56 6.095 -8.318 -5.882 1.00 70.55 H new ATOM 0 HZ2 TRP A 56 5.465 -6.294 -10.396 1.00 45.34 H new ATOM 0 HZ3 TRP A 56 7.001 -9.406 -7.897 1.00 54.33 H new ATOM 0 HH2 TRP A 56 6.689 -8.406 -10.123 1.00 23.13 H new ATOM 860 N MET A 57 3.208 -4.232 -1.968 1.00 41.31 N ATOM 861 CA MET A 57 2.728 -4.203 -0.580 1.00 71.23 C ATOM 862 C MET A 57 1.226 -4.555 -0.508 1.00 11.20 C ATOM 863 O MET A 57 0.429 -4.030 -1.279 1.00 24.31 O ATOM 864 CB MET A 57 2.965 -2.798 0.002 1.00 74.31 C ATOM 865 CG MET A 57 4.396 -2.300 -0.178 1.00 42.50 C ATOM 866 SD MET A 57 4.609 -0.563 0.273 1.00 72.20 S ATOM 867 CE MET A 57 4.221 -0.613 2.021 1.00 34.42 C ATOM 0 H MET A 57 2.602 -3.743 -2.626 1.00 41.31 H new ATOM 0 HA MET A 57 3.277 -4.945 0.000 1.00 71.23 H new ATOM 0 HB2 MET A 57 2.281 -2.096 -0.475 1.00 74.31 H new ATOM 0 HB3 MET A 57 2.723 -2.808 1.065 1.00 74.31 H new ATOM 0 HG2 MET A 57 5.065 -2.911 0.428 1.00 42.50 H new ATOM 0 HG3 MET A 57 4.693 -2.438 -1.218 1.00 42.50 H new ATOM 0 HE1 MET A 57 4.667 0.249 2.518 1.00 34.42 H new ATOM 0 HE2 MET A 57 3.139 -0.589 2.154 1.00 34.42 H new ATOM 0 HE3 MET A 57 4.620 -1.529 2.456 1.00 34.42 H new ATOM 877 N PRO A 58 0.815 -5.457 0.405 1.00 62.31 N ATOM 878 CA PRO A 58 -0.598 -5.817 0.584 1.00 62.10 C ATOM 879 C PRO A 58 -1.334 -4.884 1.568 1.00 11.20 C ATOM 880 O PRO A 58 -0.983 -4.802 2.748 1.00 33.52 O ATOM 881 CB PRO A 58 -0.502 -7.239 1.143 1.00 25.12 C ATOM 882 CG PRO A 58 0.765 -7.247 1.942 1.00 65.22 C ATOM 883 CD PRO A 58 1.686 -6.218 1.318 1.00 21.32 C ATOM 0 HA PRO A 58 -1.172 -5.734 -0.339 1.00 62.10 H new ATOM 0 HB2 PRO A 58 -1.364 -7.479 1.765 1.00 25.12 H new ATOM 0 HB3 PRO A 58 -0.470 -7.978 0.343 1.00 25.12 H new ATOM 0 HG2 PRO A 58 0.565 -7.004 2.985 1.00 65.22 H new ATOM 0 HG3 PRO A 58 1.224 -8.235 1.928 1.00 65.22 H new ATOM 0 HD2 PRO A 58 2.131 -5.572 2.074 1.00 21.32 H new ATOM 0 HD3 PRO A 58 2.507 -6.693 0.781 1.00 21.32 H new ATOM 891 N GLY A 59 -2.355 -4.179 1.079 1.00 12.24 N ATOM 892 CA GLY A 59 -3.110 -3.263 1.933 1.00 1.12 C ATOM 893 C GLY A 59 -4.563 -3.085 1.501 1.00 22.22 C ATOM 894 O GLY A 59 -5.006 -3.670 0.511 1.00 11.32 O ATOM 0 H GLY A 59 -2.674 -4.223 0.111 1.00 12.24 H new ATOM 0 HA2 GLY A 59 -3.087 -3.633 2.958 1.00 1.12 H new ATOM 0 HA3 GLY A 59 -2.618 -2.290 1.933 1.00 1.12 H new ATOM 898 N LEU A 60 -5.306 -2.275 2.254 1.00 3.11 N ATOM 899 CA LEU A 60 -6.722 -2.013 1.969 1.00 54.32 C ATOM 900 C LEU A 60 -6.919 -0.626 1.329 1.00 55.44 C ATOM 901 O LEU A 60 -6.495 0.390 1.886 1.00 1.44 O ATOM 902 CB LEU A 60 -7.541 -2.108 3.267 1.00 42.11 C ATOM 903 CG LEU A 60 -9.048 -1.816 3.129 1.00 3.22 C ATOM 904 CD1 LEU A 60 -9.722 -2.824 2.203 1.00 44.44 C ATOM 905 CD2 LEU A 60 -9.722 -1.803 4.501 1.00 71.22 C ATOM 0 H LEU A 60 -4.950 -1.784 3.074 1.00 3.11 H new ATOM 0 HA LEU A 60 -7.068 -2.765 1.260 1.00 54.32 H new ATOM 0 HB2 LEU A 60 -7.420 -3.110 3.679 1.00 42.11 H new ATOM 0 HB3 LEU A 60 -7.120 -1.412 3.993 1.00 42.11 H new ATOM 0 HG LEU A 60 -9.160 -0.828 2.683 1.00 3.22 H new ATOM 0 HD11 LEU A 60 -10.784 -2.593 2.125 1.00 44.44 H new ATOM 0 HD12 LEU A 60 -9.266 -2.772 1.214 1.00 44.44 H new ATOM 0 HD13 LEU A 60 -9.598 -3.829 2.607 1.00 44.44 H new ATOM 0 HD21 LEU A 60 -10.785 -1.595 4.382 1.00 71.22 H new ATOM 0 HD22 LEU A 60 -9.593 -2.774 4.979 1.00 71.22 H new ATOM 0 HD23 LEU A 60 -9.269 -1.030 5.122 1.00 71.22 H new ATOM 917 N ASN A 61 -7.556 -0.594 0.156 1.00 63.53 N ATOM 918 CA ASN A 61 -7.887 0.668 -0.519 1.00 13.15 C ATOM 919 C ASN A 61 -9.245 1.209 -0.031 1.00 63.42 C ATOM 920 O ASN A 61 -10.130 0.439 0.324 1.00 55.34 O ATOM 921 CB ASN A 61 -7.908 0.456 -2.038 1.00 65.03 C ATOM 922 CG ASN A 61 -8.316 1.706 -2.789 1.00 44.44 C ATOM 923 OD1 ASN A 61 -9.490 1.927 -3.056 1.00 33.41 O ATOM 924 ND2 ASN A 61 -7.358 2.544 -3.122 1.00 45.31 N ATOM 0 H ASN A 61 -7.854 -1.429 -0.349 1.00 63.53 H new ATOM 0 HA ASN A 61 -7.123 1.406 -0.275 1.00 13.15 H new ATOM 0 HB2 ASN A 61 -6.919 0.141 -2.372 1.00 65.03 H new ATOM 0 HB3 ASN A 61 -8.599 -0.352 -2.280 1.00 65.03 H new ATOM 0 HD21 ASN A 61 -7.584 3.407 -3.617 1.00 45.31 H new ATOM 0 HD22 ASN A 61 -6.389 2.331 -2.885 1.00 45.31 H new ATOM 931 N GLU A 62 -9.403 2.535 -0.018 1.00 12.30 N ATOM 932 CA GLU A 62 -10.623 3.170 0.513 1.00 63.30 C ATOM 933 C GLU A 62 -11.703 3.425 -0.561 1.00 65.24 C ATOM 934 O GLU A 62 -12.894 3.440 -0.245 1.00 4.13 O ATOM 935 CB GLU A 62 -10.259 4.477 1.240 1.00 42.31 C ATOM 936 CG GLU A 62 -9.556 4.258 2.579 1.00 13.55 C ATOM 937 CD GLU A 62 -10.445 3.561 3.601 1.00 74.11 C ATOM 938 OE1 GLU A 62 -11.172 4.258 4.338 1.00 70.13 O ATOM 939 OE2 GLU A 62 -10.443 2.315 3.659 1.00 13.24 O ATOM 0 H GLU A 62 -8.706 3.193 -0.367 1.00 12.30 H new ATOM 0 HA GLU A 62 -11.064 2.465 1.218 1.00 63.30 H new ATOM 0 HB2 GLU A 62 -9.615 5.074 0.595 1.00 42.31 H new ATOM 0 HB3 GLU A 62 -11.168 5.055 1.407 1.00 42.31 H new ATOM 0 HG2 GLU A 62 -8.657 3.663 2.420 1.00 13.55 H new ATOM 0 HG3 GLU A 62 -9.235 5.220 2.978 1.00 13.55 H new ATOM 946 N ARG A 63 -11.302 3.626 -1.817 1.00 64.24 N ATOM 947 CA ARG A 63 -12.274 3.838 -2.906 1.00 71.14 C ATOM 948 C ARG A 63 -12.971 2.523 -3.278 1.00 50.13 C ATOM 949 O ARG A 63 -14.197 2.402 -3.218 1.00 62.43 O ATOM 950 CB ARG A 63 -11.569 4.409 -4.147 1.00 11.41 C ATOM 951 CG ARG A 63 -12.509 4.855 -5.274 1.00 64.40 C ATOM 952 CD ARG A 63 -13.043 6.271 -5.065 1.00 74.42 C ATOM 953 NE ARG A 63 -13.953 6.373 -3.926 1.00 61.15 N ATOM 954 CZ ARG A 63 -13.662 6.973 -2.805 1.00 53.33 C ATOM 955 NH1 ARG A 63 -12.472 7.438 -2.593 1.00 3.42 N ATOM 956 NH2 ARG A 63 -14.563 7.077 -1.884 1.00 15.03 N ATOM 0 H ARG A 63 -10.325 3.648 -2.110 1.00 64.24 H new ATOM 0 HA ARG A 63 -13.022 4.548 -2.555 1.00 71.14 H new ATOM 0 HB2 ARG A 63 -10.961 5.261 -3.842 1.00 11.41 H new ATOM 0 HB3 ARG A 63 -10.887 3.655 -4.539 1.00 11.41 H new ATOM 0 HG2 ARG A 63 -11.979 4.807 -6.225 1.00 64.40 H new ATOM 0 HG3 ARG A 63 -13.346 4.161 -5.340 1.00 64.40 H new ATOM 0 HD2 ARG A 63 -12.205 6.952 -4.916 1.00 74.42 H new ATOM 0 HD3 ARG A 63 -13.561 6.596 -5.968 1.00 74.42 H new ATOM 0 HE ARG A 63 -14.876 5.947 -4.013 1.00 61.15 H new ATOM 0 HH11 ARG A 63 -11.750 7.337 -3.307 1.00 3.42 H new ATOM 0 HH12 ARG A 63 -12.256 7.905 -1.712 1.00 3.42 H new ATOM 0 HH21 ARG A 63 -15.495 6.691 -2.036 1.00 15.03 H new ATOM 0 HH22 ARG A 63 -14.342 7.545 -1.005 1.00 15.03 H new ATOM 970 N THR A 64 -12.168 1.541 -3.675 1.00 62.35 N ATOM 971 CA THR A 64 -12.673 0.223 -4.071 1.00 11.42 C ATOM 972 C THR A 64 -12.941 -0.669 -2.853 1.00 63.32 C ATOM 973 O THR A 64 -13.714 -1.627 -2.932 1.00 70.44 O ATOM 974 CB THR A 64 -11.667 -0.501 -4.994 1.00 35.14 C ATOM 975 OG1 THR A 64 -10.437 -0.739 -4.281 1.00 0.31 O ATOM 976 CG2 THR A 64 -11.387 0.323 -6.249 1.00 32.21 C ATOM 0 H THR A 64 -11.154 1.631 -3.733 1.00 62.35 H new ATOM 0 HA THR A 64 -13.608 0.395 -4.604 1.00 11.42 H new ATOM 0 HB THR A 64 -12.102 -1.453 -5.299 1.00 35.14 H new ATOM 0 HG1 THR A 64 -10.079 0.112 -3.953 1.00 0.31 H new ATOM 0 HG21 THR A 64 -10.676 -0.208 -6.882 1.00 32.21 H new ATOM 0 HG22 THR A 64 -12.316 0.478 -6.797 1.00 32.21 H new ATOM 0 HG23 THR A 64 -10.969 1.288 -5.965 1.00 32.21 H new ATOM 984 N ARG A 65 -12.294 -0.347 -1.729 1.00 60.41 N ATOM 985 CA ARG A 65 -12.425 -1.131 -0.493 1.00 33.21 C ATOM 986 C ARG A 65 -12.031 -2.600 -0.700 1.00 70.41 C ATOM 987 O ARG A 65 -12.552 -3.503 -0.038 1.00 64.42 O ATOM 988 CB ARG A 65 -13.848 -0.999 0.075 1.00 43.14 C ATOM 989 CG ARG A 65 -14.073 0.322 0.811 1.00 64.02 C ATOM 990 CD ARG A 65 -13.343 0.349 2.157 1.00 23.53 C ATOM 991 NE ARG A 65 -13.127 1.703 2.667 1.00 54.42 N ATOM 992 CZ ARG A 65 -14.075 2.521 3.051 1.00 21.30 C ATOM 993 NH1 ARG A 65 -15.324 2.178 2.980 1.00 41.34 N ATOM 994 NH2 ARG A 65 -13.766 3.684 3.524 1.00 21.33 N ATOM 0 H ARG A 65 -11.670 0.456 -1.648 1.00 60.41 H new ATOM 0 HA ARG A 65 -11.727 -0.724 0.238 1.00 33.21 H new ATOM 0 HB2 ARG A 65 -14.568 -1.083 -0.739 1.00 43.14 H new ATOM 0 HB3 ARG A 65 -14.040 -1.827 0.757 1.00 43.14 H new ATOM 0 HG2 ARG A 65 -13.725 1.148 0.191 1.00 64.02 H new ATOM 0 HG3 ARG A 65 -15.141 0.472 0.972 1.00 64.02 H new ATOM 0 HD2 ARG A 65 -13.919 -0.220 2.887 1.00 23.53 H new ATOM 0 HD3 ARG A 65 -12.380 -0.151 2.051 1.00 23.53 H new ATOM 0 HE ARG A 65 -12.165 2.035 2.728 1.00 54.42 H new ATOM 0 HH11 ARG A 65 -15.581 1.259 2.621 1.00 41.34 H new ATOM 0 HH12 ARG A 65 -16.049 2.828 3.284 1.00 41.34 H new ATOM 0 HH21 ARG A 65 -12.787 3.961 3.597 1.00 21.33 H new ATOM 0 HH22 ARG A 65 -14.501 4.324 3.824 1.00 21.33 H new ATOM 1008 N GLN A 66 -11.092 -2.824 -1.613 1.00 65.12 N ATOM 1009 CA GLN A 66 -10.509 -4.150 -1.825 1.00 72.33 C ATOM 1010 C GLN A 66 -9.167 -4.263 -1.085 1.00 3.20 C ATOM 1011 O GLN A 66 -8.355 -3.335 -1.112 1.00 64.22 O ATOM 1012 CB GLN A 66 -10.289 -4.404 -3.325 1.00 73.21 C ATOM 1013 CG GLN A 66 -11.556 -4.294 -4.168 1.00 32.24 C ATOM 1014 CD GLN A 66 -11.302 -4.533 -5.648 1.00 62.54 C ATOM 1015 OE1 GLN A 66 -11.015 -3.611 -6.403 1.00 34.13 O ATOM 1016 NE2 GLN A 66 -11.410 -5.774 -6.076 1.00 30.42 N ATOM 0 H GLN A 66 -10.714 -2.100 -2.224 1.00 65.12 H new ATOM 0 HA GLN A 66 -11.201 -4.896 -1.434 1.00 72.33 H new ATOM 0 HB2 GLN A 66 -9.554 -3.692 -3.699 1.00 73.21 H new ATOM 0 HB3 GLN A 66 -9.864 -5.399 -3.456 1.00 73.21 H new ATOM 0 HG2 GLN A 66 -12.290 -5.016 -3.809 1.00 32.24 H new ATOM 0 HG3 GLN A 66 -11.991 -3.304 -4.034 1.00 32.24 H new ATOM 0 HE21 GLN A 66 -11.650 -6.520 -5.423 1.00 30.42 H new ATOM 0 HE22 GLN A 66 -11.253 -5.989 -7.061 1.00 30.42 H new ATOM 1025 N ARG A 67 -8.944 -5.384 -0.404 1.00 62.23 N ATOM 1026 CA ARG A 67 -7.650 -5.648 0.234 1.00 25.33 C ATOM 1027 C ARG A 67 -6.791 -6.546 -0.672 1.00 14.53 C ATOM 1028 O ARG A 67 -7.193 -7.658 -1.026 1.00 32.01 O ATOM 1029 CB ARG A 67 -7.844 -6.293 1.621 1.00 55.11 C ATOM 1030 CG ARG A 67 -8.496 -7.676 1.593 1.00 23.44 C ATOM 1031 CD ARG A 67 -8.633 -8.269 2.996 1.00 64.15 C ATOM 1032 NE ARG A 67 -9.001 -9.686 2.963 1.00 10.54 N ATOM 1033 CZ ARG A 67 -9.591 -10.326 3.939 1.00 71.04 C ATOM 1034 NH1 ARG A 67 -9.943 -9.716 5.023 1.00 23.44 N ATOM 1035 NH2 ARG A 67 -9.845 -11.586 3.821 1.00 12.44 N ATOM 0 H ARG A 67 -9.636 -6.123 -0.278 1.00 62.23 H new ATOM 0 HA ARG A 67 -7.132 -4.700 0.378 1.00 25.33 H new ATOM 0 HB2 ARG A 67 -6.873 -6.373 2.109 1.00 55.11 H new ATOM 0 HB3 ARG A 67 -8.455 -5.630 2.234 1.00 55.11 H new ATOM 0 HG2 ARG A 67 -9.481 -7.604 1.131 1.00 23.44 H new ATOM 0 HG3 ARG A 67 -7.901 -8.346 0.972 1.00 23.44 H new ATOM 0 HD2 ARG A 67 -7.691 -8.152 3.532 1.00 64.15 H new ATOM 0 HD3 ARG A 67 -9.387 -7.712 3.552 1.00 64.15 H new ATOM 0 HE ARG A 67 -8.781 -10.212 2.117 1.00 10.54 H new ATOM 0 HH11 ARG A 67 -9.762 -8.718 5.128 1.00 23.44 H new ATOM 0 HH12 ARG A 67 -10.402 -10.233 5.773 1.00 23.44 H new ATOM 0 HH21 ARG A 67 -9.586 -12.081 2.968 1.00 12.44 H new ATOM 0 HH22 ARG A 67 -10.305 -12.087 4.581 1.00 12.44 H new ATOM 1049 N GLY A 68 -5.614 -6.064 -1.059 1.00 13.30 N ATOM 1050 CA GLY A 68 -4.762 -6.823 -1.971 1.00 52.51 C ATOM 1051 C GLY A 68 -3.360 -6.245 -2.118 1.00 21.41 C ATOM 1052 O GLY A 68 -2.981 -5.318 -1.402 1.00 25.20 O ATOM 0 H GLY A 68 -5.232 -5.166 -0.762 1.00 13.30 H new ATOM 0 HA2 GLY A 68 -4.687 -7.850 -1.615 1.00 52.51 H new ATOM 0 HA3 GLY A 68 -5.236 -6.860 -2.952 1.00 52.51 H new ATOM 1056 N ASP A 69 -2.593 -6.793 -3.053 1.00 54.05 N ATOM 1057 CA ASP A 69 -1.206 -6.378 -3.273 1.00 74.31 C ATOM 1058 C ASP A 69 -1.122 -5.228 -4.300 1.00 30.11 C ATOM 1059 O ASP A 69 -1.733 -5.289 -5.368 1.00 24.13 O ATOM 1060 CB ASP A 69 -0.397 -7.590 -3.744 1.00 25.50 C ATOM 1061 CG ASP A 69 1.087 -7.302 -3.866 1.00 21.31 C ATOM 1062 OD1 ASP A 69 1.783 -7.302 -2.828 1.00 24.44 O ATOM 1063 OD2 ASP A 69 1.562 -7.090 -5.000 1.00 71.03 O ATOM 0 H ASP A 69 -2.909 -7.534 -3.679 1.00 54.05 H new ATOM 0 HA ASP A 69 -0.791 -6.003 -2.337 1.00 74.31 H new ATOM 0 HB2 ASP A 69 -0.545 -8.413 -3.045 1.00 25.50 H new ATOM 0 HB3 ASP A 69 -0.778 -7.921 -4.710 1.00 25.50 H new ATOM 1068 N PHE A 70 -0.365 -4.181 -3.967 1.00 33.44 N ATOM 1069 CA PHE A 70 -0.226 -3.009 -4.842 1.00 2.10 C ATOM 1070 C PHE A 70 1.228 -2.508 -4.886 1.00 71.11 C ATOM 1071 O PHE A 70 1.977 -2.662 -3.920 1.00 63.11 O ATOM 1072 CB PHE A 70 -1.157 -1.877 -4.362 1.00 3.31 C ATOM 1073 CG PHE A 70 -0.837 -1.354 -2.975 1.00 5.31 C ATOM 1074 CD1 PHE A 70 0.099 -0.340 -2.793 1.00 34.15 C ATOM 1075 CD2 PHE A 70 -1.470 -1.877 -1.855 1.00 31.52 C ATOM 1076 CE1 PHE A 70 0.394 0.135 -1.528 1.00 53.21 C ATOM 1077 CE2 PHE A 70 -1.176 -1.402 -0.588 1.00 11.21 C ATOM 1078 CZ PHE A 70 -0.244 -0.397 -0.425 1.00 5.03 C ATOM 0 H PHE A 70 0.163 -4.118 -3.097 1.00 33.44 H new ATOM 0 HA PHE A 70 -0.509 -3.310 -5.851 1.00 2.10 H new ATOM 0 HB2 PHE A 70 -1.101 -1.051 -5.071 1.00 3.31 H new ATOM 0 HB3 PHE A 70 -2.185 -2.238 -4.373 1.00 3.31 H new ATOM 0 HD1 PHE A 70 0.602 0.081 -3.651 1.00 34.15 H new ATOM 0 HD2 PHE A 70 -2.200 -2.664 -1.974 1.00 31.52 H new ATOM 0 HE1 PHE A 70 1.123 0.922 -1.403 1.00 53.21 H new ATOM 0 HE2 PHE A 70 -1.677 -1.818 0.274 1.00 11.21 H new ATOM 0 HZ PHE A 70 -0.014 -0.027 0.563 1.00 5.03 H new ATOM 1088 N PRO A 71 1.655 -1.906 -6.013 1.00 63.25 N ATOM 1089 CA PRO A 71 2.988 -1.289 -6.116 1.00 54.11 C ATOM 1090 C PRO A 71 3.120 -0.024 -5.243 1.00 21.42 C ATOM 1091 O PRO A 71 2.524 1.018 -5.534 1.00 64.04 O ATOM 1092 CB PRO A 71 3.110 -0.951 -7.610 1.00 33.23 C ATOM 1093 CG PRO A 71 1.700 -0.834 -8.094 1.00 52.30 C ATOM 1094 CD PRO A 71 0.891 -1.803 -7.273 1.00 52.02 C ATOM 0 HA PRO A 71 3.777 -1.951 -5.758 1.00 54.11 H new ATOM 0 HB2 PRO A 71 3.658 -0.021 -7.761 1.00 33.23 H new ATOM 0 HB3 PRO A 71 3.649 -1.730 -8.149 1.00 33.23 H new ATOM 0 HG2 PRO A 71 1.330 0.184 -7.971 1.00 52.30 H new ATOM 0 HG3 PRO A 71 1.632 -1.072 -9.156 1.00 52.30 H new ATOM 0 HD2 PRO A 71 -0.121 -1.436 -7.100 1.00 52.02 H new ATOM 0 HD3 PRO A 71 0.800 -2.770 -7.768 1.00 52.02 H new ATOM 1102 N GLY A 72 3.919 -0.121 -4.179 1.00 24.22 N ATOM 1103 CA GLY A 72 4.051 0.967 -3.211 1.00 11.02 C ATOM 1104 C GLY A 72 4.624 2.266 -3.786 1.00 23.14 C ATOM 1105 O GLY A 72 4.580 3.307 -3.133 1.00 32.22 O ATOM 0 H GLY A 72 4.484 -0.943 -3.966 1.00 24.22 H new ATOM 0 HA2 GLY A 72 3.071 1.176 -2.783 1.00 11.02 H new ATOM 0 HA3 GLY A 72 4.691 0.633 -2.394 1.00 11.02 H new ATOM 1109 N THR A 73 5.156 2.217 -5.008 1.00 74.44 N ATOM 1110 CA THR A 73 5.738 3.412 -5.644 1.00 41.40 C ATOM 1111 C THR A 73 4.661 4.423 -6.090 1.00 32.24 C ATOM 1112 O THR A 73 4.982 5.535 -6.512 1.00 74.21 O ATOM 1113 CB THR A 73 6.617 3.039 -6.868 1.00 62.15 C ATOM 1114 OG1 THR A 73 7.283 4.203 -7.382 1.00 23.24 O ATOM 1115 CG2 THR A 73 5.787 2.399 -7.979 1.00 74.51 C ATOM 0 H THR A 73 5.199 1.372 -5.578 1.00 74.44 H new ATOM 0 HA THR A 73 6.360 3.880 -4.881 1.00 41.40 H new ATOM 0 HB THR A 73 7.357 2.315 -6.528 1.00 62.15 H new ATOM 0 HG1 THR A 73 6.723 4.993 -7.233 1.00 23.24 H new ATOM 0 HG21 THR A 73 6.435 2.151 -8.820 1.00 74.51 H new ATOM 0 HG22 THR A 73 5.315 1.491 -7.604 1.00 74.51 H new ATOM 0 HG23 THR A 73 5.018 3.098 -8.307 1.00 74.51 H new ATOM 1123 N TYR A 74 3.388 4.030 -6.007 1.00 44.24 N ATOM 1124 CA TYR A 74 2.270 4.923 -6.362 1.00 4.55 C ATOM 1125 C TYR A 74 1.701 5.651 -5.135 1.00 61.23 C ATOM 1126 O TYR A 74 0.793 6.477 -5.263 1.00 22.52 O ATOM 1127 CB TYR A 74 1.140 4.130 -7.040 1.00 33.42 C ATOM 1128 CG TYR A 74 1.469 3.631 -8.435 1.00 25.10 C ATOM 1129 CD1 TYR A 74 2.364 2.588 -8.629 1.00 72.11 C ATOM 1130 CD2 TYR A 74 0.869 4.194 -9.559 1.00 4.43 C ATOM 1131 CE1 TYR A 74 2.655 2.120 -9.896 1.00 25.33 C ATOM 1132 CE2 TYR A 74 1.158 3.732 -10.830 1.00 31.51 C ATOM 1133 CZ TYR A 74 2.050 2.693 -10.991 1.00 75.04 C ATOM 1134 OH TYR A 74 2.339 2.221 -12.256 1.00 62.43 O ATOM 0 H TYR A 74 3.100 3.101 -5.698 1.00 44.24 H new ATOM 0 HA TYR A 74 2.669 5.668 -7.051 1.00 4.55 H new ATOM 0 HB2 TYR A 74 0.886 3.275 -6.413 1.00 33.42 H new ATOM 0 HB3 TYR A 74 0.253 4.761 -7.094 1.00 33.42 H new ATOM 0 HD1 TYR A 74 2.842 2.134 -7.774 1.00 72.11 H new ATOM 0 HD2 TYR A 74 0.166 5.005 -9.436 1.00 4.43 H new ATOM 0 HE1 TYR A 74 3.355 1.308 -10.026 1.00 25.33 H new ATOM 0 HE2 TYR A 74 0.688 4.182 -11.692 1.00 31.51 H new ATOM 0 HH TYR A 74 1.829 2.731 -12.920 1.00 62.43 H new ATOM 1144 N VAL A 75 2.227 5.349 -3.947 1.00 65.21 N ATOM 1145 CA VAL A 75 1.684 5.907 -2.701 1.00 23.23 C ATOM 1146 C VAL A 75 2.765 6.582 -1.840 1.00 32.02 C ATOM 1147 O VAL A 75 3.934 6.195 -1.868 1.00 21.32 O ATOM 1148 CB VAL A 75 0.981 4.811 -1.851 1.00 51.40 C ATOM 1149 CG1 VAL A 75 -0.109 4.109 -2.657 1.00 51.21 C ATOM 1150 CG2 VAL A 75 1.992 3.795 -1.314 1.00 63.41 C ATOM 0 H VAL A 75 3.024 4.725 -3.818 1.00 65.21 H new ATOM 0 HA VAL A 75 0.958 6.662 -3.003 1.00 23.23 H new ATOM 0 HB VAL A 75 0.512 5.304 -0.999 1.00 51.40 H new ATOM 0 HG11 VAL A 75 -0.585 3.347 -2.039 1.00 51.21 H new ATOM 0 HG12 VAL A 75 -0.855 4.838 -2.973 1.00 51.21 H new ATOM 0 HG13 VAL A 75 0.333 3.639 -3.536 1.00 51.21 H new ATOM 0 HG21 VAL A 75 1.471 3.041 -0.724 1.00 63.41 H new ATOM 0 HG22 VAL A 75 2.503 3.314 -2.148 1.00 63.41 H new ATOM 0 HG23 VAL A 75 2.723 4.306 -0.687 1.00 63.41 H new ATOM 1160 N GLU A 76 2.364 7.602 -1.078 1.00 64.30 N ATOM 1161 CA GLU A 76 3.257 8.240 -0.101 1.00 53.02 C ATOM 1162 C GLU A 76 2.896 7.797 1.326 1.00 20.23 C ATOM 1163 O GLU A 76 1.776 7.346 1.582 1.00 75.12 O ATOM 1164 CB GLU A 76 3.184 9.773 -0.206 1.00 34.14 C ATOM 1165 CG GLU A 76 1.851 10.369 0.239 1.00 74.41 C ATOM 1166 CD GLU A 76 1.891 11.889 0.337 1.00 21.40 C ATOM 1167 OE1 GLU A 76 2.529 12.409 1.277 1.00 1.42 O ATOM 1168 OE2 GLU A 76 1.279 12.571 -0.514 1.00 14.11 O ATOM 0 H GLU A 76 1.428 8.005 -1.117 1.00 64.30 H new ATOM 0 HA GLU A 76 4.277 7.926 -0.325 1.00 53.02 H new ATOM 0 HB2 GLU A 76 3.982 10.205 0.398 1.00 34.14 H new ATOM 0 HB3 GLU A 76 3.372 10.064 -1.239 1.00 34.14 H new ATOM 0 HG2 GLU A 76 1.073 10.075 -0.465 1.00 74.41 H new ATOM 0 HG3 GLU A 76 1.577 9.953 1.209 1.00 74.41 H new ATOM 1175 N PHE A 77 3.838 7.927 2.254 1.00 32.35 N ATOM 1176 CA PHE A 77 3.609 7.516 3.643 1.00 21.15 C ATOM 1177 C PHE A 77 3.023 8.663 4.487 1.00 33.13 C ATOM 1178 O PHE A 77 3.565 9.772 4.517 1.00 53.41 O ATOM 1179 CB PHE A 77 4.915 7.015 4.273 1.00 71.23 C ATOM 1180 CG PHE A 77 4.779 6.626 5.725 1.00 13.41 C ATOM 1181 CD1 PHE A 77 3.869 5.652 6.116 1.00 23.03 C ATOM 1182 CD2 PHE A 77 5.554 7.239 6.701 1.00 52.32 C ATOM 1183 CE1 PHE A 77 3.738 5.299 7.445 1.00 71.34 C ATOM 1184 CE2 PHE A 77 5.426 6.889 8.031 1.00 54.41 C ATOM 1185 CZ PHE A 77 4.519 5.918 8.402 1.00 64.33 C ATOM 0 H PHE A 77 4.766 8.312 2.075 1.00 32.35 H new ATOM 0 HA PHE A 77 2.881 6.705 3.630 1.00 21.15 H new ATOM 0 HB2 PHE A 77 5.274 6.155 3.708 1.00 71.23 H new ATOM 0 HB3 PHE A 77 5.673 7.793 4.184 1.00 71.23 H new ATOM 0 HD1 PHE A 77 3.256 5.165 5.372 1.00 23.03 H new ATOM 0 HD2 PHE A 77 6.266 7.999 6.416 1.00 52.32 H new ATOM 0 HE1 PHE A 77 3.026 4.540 7.736 1.00 71.34 H new ATOM 0 HE2 PHE A 77 6.035 7.375 8.779 1.00 54.41 H new ATOM 0 HZ PHE A 77 4.419 5.641 9.441 1.00 64.33 H new ATOM 1195 N LEU A 78 1.912 8.387 5.172 1.00 1.04 N ATOM 1196 CA LEU A 78 1.278 9.375 6.060 1.00 73.11 C ATOM 1197 C LEU A 78 1.673 9.130 7.528 1.00 30.53 C ATOM 1198 O LEU A 78 2.355 9.946 8.148 1.00 34.15 O ATOM 1199 CB LEU A 78 -0.252 9.320 5.916 1.00 71.41 C ATOM 1200 CG LEU A 78 -0.794 9.594 4.504 1.00 54.33 C ATOM 1201 CD1 LEU A 78 -2.314 9.458 4.475 1.00 74.24 C ATOM 1202 CD2 LEU A 78 -0.363 10.975 4.013 1.00 3.21 C ATOM 0 H LEU A 78 1.429 7.489 5.132 1.00 1.04 H new ATOM 0 HA LEU A 78 1.630 10.364 5.767 1.00 73.11 H new ATOM 0 HB2 LEU A 78 -0.594 8.335 6.233 1.00 71.41 H new ATOM 0 HB3 LEU A 78 -0.690 10.045 6.602 1.00 71.41 H new ATOM 0 HG LEU A 78 -0.372 8.850 3.828 1.00 54.33 H new ATOM 0 HD11 LEU A 78 -2.678 9.656 3.467 1.00 74.24 H new ATOM 0 HD12 LEU A 78 -2.595 8.447 4.770 1.00 74.24 H new ATOM 0 HD13 LEU A 78 -2.757 10.174 5.167 1.00 74.24 H new ATOM 0 HD21 LEU A 78 -0.759 11.145 3.012 1.00 3.21 H new ATOM 0 HD22 LEU A 78 -0.747 11.738 4.690 1.00 3.21 H new ATOM 0 HD23 LEU A 78 0.725 11.028 3.987 1.00 3.21 H new ATOM 1214 N GLY A 79 1.237 7.995 8.073 1.00 61.25 N ATOM 1215 CA GLY A 79 1.548 7.652 9.460 1.00 34.23 C ATOM 1216 C GLY A 79 0.749 6.456 9.972 1.00 35.12 C ATOM 1217 O GLY A 79 -0.188 6.006 9.312 1.00 2.43 O ATOM 0 H GLY A 79 0.672 7.303 7.581 1.00 61.25 H new ATOM 0 HA2 GLY A 79 2.613 7.434 9.545 1.00 34.23 H new ATOM 0 HA3 GLY A 79 1.348 8.515 10.096 1.00 34.23 H new ATOM 1221 N PRO A 80 1.103 5.910 11.151 1.00 65.43 N ATOM 1222 CA PRO A 80 0.379 4.775 11.753 1.00 21.34 C ATOM 1223 C PRO A 80 -0.957 5.188 12.398 1.00 42.31 C ATOM 1224 O PRO A 80 -1.186 6.363 12.696 1.00 43.40 O ATOM 1225 CB PRO A 80 1.360 4.273 12.819 1.00 74.23 C ATOM 1226 CG PRO A 80 2.113 5.494 13.232 1.00 44.23 C ATOM 1227 CD PRO A 80 2.238 6.348 11.992 1.00 63.33 C ATOM 0 HA PRO A 80 0.102 4.027 11.010 1.00 21.34 H new ATOM 0 HB2 PRO A 80 0.835 3.825 13.663 1.00 74.23 H new ATOM 0 HB3 PRO A 80 2.028 3.511 12.418 1.00 74.23 H new ATOM 0 HG2 PRO A 80 1.586 6.029 14.022 1.00 44.23 H new ATOM 0 HG3 PRO A 80 3.095 5.232 13.625 1.00 44.23 H new ATOM 0 HD2 PRO A 80 2.175 7.410 12.229 1.00 63.33 H new ATOM 0 HD3 PRO A 80 3.193 6.189 11.491 1.00 63.33 H new ATOM 1235 N LEU A 81 -1.845 4.213 12.609 1.00 72.53 N ATOM 1236 CA LEU A 81 -3.134 4.472 13.266 1.00 61.03 C ATOM 1237 C LEU A 81 -3.065 4.173 14.778 1.00 21.54 C ATOM 1238 O LEU A 81 -3.181 3.031 15.220 1.00 53.14 O ATOM 1239 CB LEU A 81 -4.267 3.682 12.567 1.00 44.43 C ATOM 1240 CG LEU A 81 -3.877 2.319 11.948 1.00 62.54 C ATOM 1241 CD1 LEU A 81 -3.669 1.246 13.016 1.00 40.21 C ATOM 1242 CD2 LEU A 81 -4.920 1.870 10.929 1.00 44.45 C ATOM 0 H LEU A 81 -1.699 3.241 12.337 1.00 72.53 H new ATOM 0 HA LEU A 81 -3.363 5.533 13.168 1.00 61.03 H new ATOM 0 HB2 LEU A 81 -5.063 3.512 13.293 1.00 44.43 H new ATOM 0 HB3 LEU A 81 -4.683 4.308 11.778 1.00 44.43 H new ATOM 0 HG LEU A 81 -2.925 2.456 11.435 1.00 62.54 H new ATOM 0 HD11 LEU A 81 -3.397 0.305 12.538 1.00 40.21 H new ATOM 0 HD12 LEU A 81 -2.871 1.555 13.691 1.00 40.21 H new ATOM 0 HD13 LEU A 81 -4.591 1.112 13.582 1.00 40.21 H new ATOM 0 HD21 LEU A 81 -4.626 0.909 10.506 1.00 44.45 H new ATOM 0 HD22 LEU A 81 -5.888 1.769 11.420 1.00 44.45 H new ATOM 0 HD23 LEU A 81 -4.992 2.610 10.132 1.00 44.45 H new ATOM 1254 N GLU A 82 -2.885 5.234 15.562 1.00 34.22 N ATOM 1255 CA GLU A 82 -2.682 5.131 17.017 1.00 21.54 C ATOM 1256 C GLU A 82 -4.015 5.231 17.794 1.00 72.21 C ATOM 1257 O GLU A 82 -4.672 6.296 17.732 1.00 38.93 O ATOM 1258 CB GLU A 82 -1.706 6.237 17.466 1.00 54.15 C ATOM 1259 CG GLU A 82 -1.350 6.215 18.953 1.00 50.04 C ATOM 1260 CD GLU A 82 -0.626 4.943 19.383 1.00 40.23 C ATOM 1261 OE1 GLU A 82 0.538 4.745 18.964 1.00 52.34 O ATOM 1262 OE2 GLU A 82 -1.207 4.158 20.168 1.00 60.25 O ATOM 0 H GLU A 82 -2.875 6.192 15.212 1.00 34.22 H new ATOM 0 HA GLU A 82 -2.260 4.151 17.240 1.00 21.54 H new ATOM 0 HB2 GLU A 82 -0.787 6.149 16.886 1.00 54.15 H new ATOM 0 HB3 GLU A 82 -2.143 7.206 17.226 1.00 54.15 H new ATOM 0 HG2 GLU A 82 -0.723 7.076 19.182 1.00 50.04 H new ATOM 0 HG3 GLU A 82 -2.263 6.321 19.539 1.00 50.04 H new TER 1269 GLU A 82