USER MOD reduce.3.24.130724 H: found=0, std=0, add=486, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 486 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 8 CYS SG : rot 79:sc= 0.918 USER MOD Set 1.2: A 65 MET CE :methyl -166:sc= -0.0197 (180deg=-0.251) USER MOD Single : A 1 SER N :NH3+ -170:sc= 0 (180deg=-0.119) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot -55:sc= 0.894 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc=-0.00705 K(o=-0.0071,f=-1.3!) USER MOD Single : A 32 THR OG1 : rot 157:sc= 0.597 USER MOD Single : A 35 GLN : amide:sc= -0.049 X(o=-0.049,f=-0.14) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.43 USER MOD Single : A 48 SER OG : rot -73:sc= 0.835 USER MOD Single : A 50 THR OG1 : rot 171:sc= 0.871 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -0.182 K(o=-0.18,f=-1) USER MOD Single : A 63 LYS NZ :NH3+ -172:sc= 0.627 (180deg=0.537) USER MOD Single : A 64 MET CE :methyl -144:sc= -0.0886 (180deg=-0.665) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -16.449 0.775 5.612 1.00 0.00 N ATOM 2 CA SER A 1 -15.213 0.147 5.161 1.00 0.00 C ATOM 3 C SER A 1 -14.008 1.035 5.445 1.00 0.00 C ATOM 4 O SER A 1 -12.948 0.551 5.844 1.00 0.00 O ATOM 5 CB SER A 1 -15.298 -0.169 3.680 1.00 0.00 C ATOM 6 OG SER A 1 -16.349 -1.048 3.389 1.00 0.00 O ATOM 0 H1 SER A 1 -17.226 0.086 5.563 1.00 0.00 H new ATOM 0 H2 SER A 1 -16.335 1.100 6.593 1.00 0.00 H new ATOM 0 H3 SER A 1 -16.668 1.588 5.002 1.00 0.00 H new ATOM 0 HA SER A 1 -15.083 -0.782 5.716 1.00 0.00 H new ATOM 0 HB2 SER A 1 -15.434 0.756 3.119 1.00 0.00 H new ATOM 0 HB3 SER A 1 -14.357 -0.607 3.349 1.00 0.00 H new ATOM 0 HG SER A 1 -16.370 -1.225 2.425 1.00 0.00 H new ATOM 14 N GLU A 2 -14.176 2.336 5.238 1.00 0.00 N ATOM 15 CA GLU A 2 -13.080 3.285 5.393 1.00 0.00 C ATOM 16 C GLU A 2 -12.588 3.329 6.834 1.00 0.00 C ATOM 17 O GLU A 2 -11.412 3.586 7.091 1.00 0.00 O ATOM 18 CB GLU A 2 -13.513 4.682 4.942 1.00 0.00 C ATOM 19 CG GLU A 2 -13.707 4.826 3.440 1.00 0.00 C ATOM 20 CD GLU A 2 -14.245 6.184 3.086 1.00 0.00 C ATOM 21 OE1 GLU A 2 -14.516 6.948 3.982 1.00 0.00 O ATOM 22 OE2 GLU A 2 -14.281 6.503 1.920 1.00 0.00 O ATOM 0 H GLU A 2 -15.062 2.758 4.962 1.00 0.00 H new ATOM 0 HA GLU A 2 -12.257 2.949 4.763 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -14.446 4.939 5.443 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -12.766 5.404 5.270 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -12.756 4.665 2.931 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -14.393 4.057 3.084 1.00 0.00 H new ATOM 29 N GLU A 3 -13.495 3.075 7.770 1.00 0.00 N ATOM 30 CA GLU A 3 -13.147 3.043 9.186 1.00 0.00 C ATOM 31 C GLU A 3 -12.188 1.899 9.491 1.00 0.00 C ATOM 32 O GLU A 3 -11.286 2.037 10.318 1.00 0.00 O ATOM 33 CB GLU A 3 -14.406 2.917 10.046 1.00 0.00 C ATOM 34 CG GLU A 3 -15.284 4.160 10.061 1.00 0.00 C ATOM 35 CD GLU A 3 -16.557 3.920 10.823 1.00 0.00 C ATOM 36 OE1 GLU A 3 -16.770 2.813 11.255 1.00 0.00 O ATOM 37 OE2 GLU A 3 -17.265 4.868 11.072 1.00 0.00 O ATOM 0 H GLU A 3 -14.478 2.888 7.574 1.00 0.00 H new ATOM 0 HA GLU A 3 -12.647 3.981 9.427 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -14.996 2.075 9.684 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -14.111 2.683 11.069 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -14.738 4.988 10.513 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -15.520 4.454 9.038 1.00 0.00 H new ATOM 44 N GLU A 4 -12.388 0.771 8.819 1.00 0.00 N ATOM 45 CA GLU A 4 -11.504 -0.379 8.972 1.00 0.00 C ATOM 46 C GLU A 4 -10.248 -0.224 8.123 1.00 0.00 C ATOM 47 O GLU A 4 -9.193 -0.764 8.456 1.00 0.00 O ATOM 48 CB GLU A 4 -12.235 -1.669 8.598 1.00 0.00 C ATOM 49 CG GLU A 4 -13.388 -2.030 9.523 1.00 0.00 C ATOM 50 CD GLU A 4 -14.101 -3.267 9.052 1.00 0.00 C ATOM 51 OE1 GLU A 4 -13.699 -3.818 8.056 1.00 0.00 O ATOM 52 OE2 GLU A 4 -14.974 -3.726 9.750 1.00 0.00 O ATOM 0 H GLU A 4 -13.155 0.628 8.162 1.00 0.00 H new ATOM 0 HA GLU A 4 -11.204 -0.433 10.019 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -12.617 -1.574 7.582 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -11.518 -2.490 8.594 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -13.010 -2.188 10.533 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -14.091 -1.199 9.572 1.00 0.00 H new ATOM 59 N LEU A 5 -10.368 0.517 7.028 1.00 0.00 N ATOM 60 CA LEU A 5 -9.230 0.785 6.155 1.00 0.00 C ATOM 61 C LEU A 5 -8.210 1.684 6.841 1.00 0.00 C ATOM 62 O LEU A 5 -7.007 1.570 6.602 1.00 0.00 O ATOM 63 CB LEU A 5 -9.706 1.421 4.843 1.00 0.00 C ATOM 64 CG LEU A 5 -9.936 0.439 3.687 1.00 0.00 C ATOM 65 CD1 LEU A 5 -10.231 -0.951 4.233 1.00 0.00 C ATOM 66 CD2 LEU A 5 -11.085 0.934 2.821 1.00 0.00 C ATOM 0 H LEU A 5 -11.243 0.944 6.723 1.00 0.00 H new ATOM 0 HA LEU A 5 -8.744 -0.165 5.931 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -10.636 1.957 5.034 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -8.970 2.161 4.529 1.00 0.00 H new ATOM 0 HG LEU A 5 -9.036 0.380 3.075 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -10.393 -1.641 3.404 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -9.387 -1.294 4.831 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -11.125 -0.915 4.855 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -11.248 0.236 2.000 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -11.991 1.004 3.423 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -10.840 1.917 2.419 1.00 0.00 H new ATOM 78 N SER A 6 -8.697 2.579 7.694 1.00 0.00 N ATOM 79 CA SER A 6 -7.823 3.439 8.483 1.00 0.00 C ATOM 80 C SER A 6 -7.057 2.637 9.527 1.00 0.00 C ATOM 81 O SER A 6 -5.945 3.001 9.911 1.00 0.00 O ATOM 82 CB SER A 6 -8.632 4.535 9.149 1.00 0.00 C ATOM 83 OG SER A 6 -9.413 4.046 10.204 1.00 0.00 O ATOM 0 H SER A 6 -9.693 2.728 7.857 1.00 0.00 H new ATOM 0 HA SER A 6 -7.096 3.893 7.810 1.00 0.00 H new ATOM 0 HB2 SER A 6 -7.958 5.305 9.524 1.00 0.00 H new ATOM 0 HB3 SER A 6 -9.278 5.009 8.410 1.00 0.00 H new ATOM 0 HG SER A 6 -9.980 3.316 9.880 1.00 0.00 H new ATOM 89 N GLU A 7 -7.657 1.543 9.983 1.00 0.00 N ATOM 90 CA GLU A 7 -6.986 0.625 10.897 1.00 0.00 C ATOM 91 C GLU A 7 -5.920 -0.189 10.175 1.00 0.00 C ATOM 92 O GLU A 7 -4.815 -0.372 10.685 1.00 0.00 O ATOM 93 CB GLU A 7 -8.001 -0.308 11.560 1.00 0.00 C ATOM 94 CG GLU A 7 -8.944 0.380 12.537 1.00 0.00 C ATOM 95 CD GLU A 7 -9.998 -0.567 13.039 1.00 0.00 C ATOM 96 OE1 GLU A 7 -10.031 -1.684 12.581 1.00 0.00 O ATOM 97 OE2 GLU A 7 -10.697 -0.213 13.959 1.00 0.00 O ATOM 0 H GLU A 7 -8.608 1.270 9.735 1.00 0.00 H new ATOM 0 HA GLU A 7 -6.496 1.220 11.668 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -8.593 -0.792 10.783 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -7.462 -1.095 12.087 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -8.375 0.773 13.379 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -9.419 1.231 12.049 1.00 0.00 H new ATOM 104 N CYS A 8 -6.258 -0.675 8.985 1.00 0.00 N ATOM 105 CA CYS A 8 -5.304 -1.401 8.155 1.00 0.00 C ATOM 106 C CYS A 8 -4.130 -0.514 7.761 1.00 0.00 C ATOM 107 O CYS A 8 -2.992 -0.977 7.674 1.00 0.00 O ATOM 108 CB CYS A 8 -6.138 -1.768 6.927 1.00 0.00 C ATOM 109 SG CYS A 8 -7.456 -2.964 7.245 1.00 0.00 S ATOM 0 H CYS A 8 -7.186 -0.579 8.574 1.00 0.00 H new ATOM 0 HA CYS A 8 -4.865 -2.262 8.659 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -6.580 -0.859 6.519 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -5.476 -2.172 6.161 1.00 0.00 H new ATOM 0 HG CYS A 8 -8.470 -2.358 7.788 1.00 0.00 H new ATOM 115 N PHE A 9 -4.411 0.762 7.525 1.00 0.00 N ATOM 116 CA PHE A 9 -3.369 1.732 7.210 1.00 0.00 C ATOM 117 C PHE A 9 -2.389 1.881 8.367 1.00 0.00 C ATOM 118 O PHE A 9 -1.173 1.846 8.172 1.00 0.00 O ATOM 119 CB PHE A 9 -3.987 3.089 6.867 1.00 0.00 C ATOM 120 CG PHE A 9 -2.979 4.131 6.474 1.00 0.00 C ATOM 121 CD1 PHE A 9 -2.350 4.078 5.239 1.00 0.00 C ATOM 122 CD2 PHE A 9 -2.657 5.167 7.339 1.00 0.00 C ATOM 123 CE1 PHE A 9 -1.423 5.037 4.876 1.00 0.00 C ATOM 124 CE2 PHE A 9 -1.731 6.127 6.979 1.00 0.00 C ATOM 125 CZ PHE A 9 -1.113 6.061 5.746 1.00 0.00 C ATOM 0 H PHE A 9 -5.354 1.150 7.546 1.00 0.00 H new ATOM 0 HA PHE A 9 -2.821 1.363 6.343 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -4.698 2.958 6.051 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -4.551 3.449 7.727 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -2.587 3.278 4.553 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -3.136 5.224 8.305 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -0.941 4.984 3.911 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -1.491 6.929 7.662 1.00 0.00 H new ATOM 0 HZ PHE A 9 -0.388 6.810 5.463 1.00 0.00 H new ATOM 135 N ARG A 10 -2.923 2.046 9.572 1.00 0.00 N ATOM 136 CA ARG A 10 -2.096 2.205 10.762 1.00 0.00 C ATOM 137 C ARG A 10 -1.294 0.942 11.048 1.00 0.00 C ATOM 138 O ARG A 10 -0.159 1.011 11.519 1.00 0.00 O ATOM 139 CB ARG A 10 -2.911 2.634 11.974 1.00 0.00 C ATOM 140 CG ARG A 10 -3.409 4.069 11.935 1.00 0.00 C ATOM 141 CD ARG A 10 -4.249 4.458 13.096 1.00 0.00 C ATOM 142 NE ARG A 10 -4.698 5.842 13.078 1.00 0.00 N ATOM 143 CZ ARG A 10 -5.488 6.401 14.015 1.00 0.00 C ATOM 144 NH1 ARG A 10 -5.951 5.693 15.021 1.00 0.00 N ATOM 145 NH2 ARG A 10 -5.807 7.677 13.882 1.00 0.00 N ATOM 0 H ARG A 10 -3.927 2.073 9.751 1.00 0.00 H new ATOM 0 HA ARG A 10 -1.390 3.010 10.556 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -3.770 1.969 12.070 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -2.303 2.500 12.869 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -2.550 4.738 11.883 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -3.983 4.217 11.021 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -5.122 3.806 13.132 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -3.684 4.284 14.012 1.00 0.00 H new ATOM 0 HE ARG A 10 -4.393 6.430 12.302 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -5.713 4.704 15.101 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -6.548 6.132 15.722 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -5.457 8.210 13.086 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -6.404 8.128 14.575 1.00 0.00 H new ATOM 159 N ILE A 11 -1.890 -0.209 10.760 1.00 0.00 N ATOM 160 CA ILE A 11 -1.225 -1.490 10.970 1.00 0.00 C ATOM 161 C ILE A 11 -0.087 -1.689 9.978 1.00 0.00 C ATOM 162 O ILE A 11 1.028 -2.042 10.361 1.00 0.00 O ATOM 163 CB ILE A 11 -2.212 -2.666 10.847 1.00 0.00 C ATOM 164 CG1 ILE A 11 -3.202 -2.656 12.015 1.00 0.00 C ATOM 165 CG2 ILE A 11 -1.461 -3.987 10.793 1.00 0.00 C ATOM 166 CD1 ILE A 11 -4.382 -3.581 11.822 1.00 0.00 C ATOM 0 H ILE A 11 -2.834 -0.282 10.380 1.00 0.00 H new ATOM 0 HA ILE A 11 -0.821 -1.472 11.982 1.00 0.00 H new ATOM 0 HB ILE A 11 -2.773 -2.553 9.919 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -2.676 -2.938 12.927 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -3.569 -1.640 12.160 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -2.173 -4.807 10.706 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -0.795 -3.992 9.930 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.875 -4.110 11.704 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -5.039 -3.519 12.690 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -4.933 -3.287 10.929 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -4.027 -4.605 11.708 1.00 0.00 H new ATOM 178 N PHE A 12 -0.374 -1.460 8.702 1.00 0.00 N ATOM 179 CA PHE A 12 0.580 -1.749 7.638 1.00 0.00 C ATOM 180 C PHE A 12 1.746 -0.769 7.662 1.00 0.00 C ATOM 181 O PHE A 12 2.875 -1.124 7.322 1.00 0.00 O ATOM 182 CB PHE A 12 -0.111 -1.709 6.273 1.00 0.00 C ATOM 183 CG PHE A 12 -1.081 -2.835 6.053 1.00 0.00 C ATOM 184 CD1 PHE A 12 -1.025 -3.981 6.832 1.00 0.00 C ATOM 185 CD2 PHE A 12 -2.050 -2.751 5.065 1.00 0.00 C ATOM 186 CE1 PHE A 12 -1.915 -5.018 6.630 1.00 0.00 C ATOM 187 CE2 PHE A 12 -2.943 -3.785 4.861 1.00 0.00 C ATOM 188 CZ PHE A 12 -2.876 -4.920 5.645 1.00 0.00 C ATOM 0 H PHE A 12 -1.261 -1.074 8.379 1.00 0.00 H new ATOM 0 HA PHE A 12 0.973 -2.751 7.807 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -0.639 -0.761 6.171 1.00 0.00 H new ATOM 0 HB3 PHE A 12 0.648 -1.737 5.491 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -0.276 -4.064 7.606 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -2.107 -1.867 4.448 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -1.859 -5.905 7.243 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -3.694 -3.706 4.088 1.00 0.00 H new ATOM 0 HZ PHE A 12 -3.574 -5.729 5.487 1.00 0.00 H new ATOM 198 N ASP A 13 1.467 0.465 8.067 1.00 0.00 N ATOM 199 CA ASP A 13 2.514 1.457 8.284 1.00 0.00 C ATOM 200 C ASP A 13 3.112 1.331 9.678 1.00 0.00 C ATOM 201 O ASP A 13 2.849 2.156 10.553 1.00 0.00 O ATOM 202 CB ASP A 13 1.967 2.870 8.071 1.00 0.00 C ATOM 203 CG ASP A 13 3.026 3.965 8.089 1.00 0.00 C ATOM 204 OD1 ASP A 13 4.175 3.648 8.286 1.00 0.00 O ATOM 205 OD2 ASP A 13 2.705 5.079 7.752 1.00 0.00 O ATOM 0 H ASP A 13 0.523 0.803 8.252 1.00 0.00 H new ATOM 0 HA ASP A 13 3.304 1.271 7.557 1.00 0.00 H new ATOM 0 HB2 ASP A 13 1.444 2.903 7.115 1.00 0.00 H new ATOM 0 HB3 ASP A 13 1.230 3.082 8.846 1.00 0.00 H new ATOM 210 N LYS A 14 3.919 0.295 9.879 1.00 0.00 N ATOM 211 CA LYS A 14 4.444 -0.021 11.202 1.00 0.00 C ATOM 212 C LYS A 14 5.450 1.028 11.660 1.00 0.00 C ATOM 213 O LYS A 14 5.593 1.285 12.856 1.00 0.00 O ATOM 214 CB LYS A 14 5.093 -1.407 11.204 1.00 0.00 C ATOM 215 CG LYS A 14 4.111 -2.561 11.054 1.00 0.00 C ATOM 216 CD LYS A 14 4.830 -3.901 11.047 1.00 0.00 C ATOM 217 CE LYS A 14 3.852 -5.054 10.873 1.00 0.00 C ATOM 218 NZ LYS A 14 4.546 -6.370 10.817 1.00 0.00 N ATOM 0 H LYS A 14 4.224 -0.341 9.142 1.00 0.00 H new ATOM 0 HA LYS A 14 3.608 -0.020 11.901 1.00 0.00 H new ATOM 0 HB2 LYS A 14 5.819 -1.456 10.393 1.00 0.00 H new ATOM 0 HB3 LYS A 14 5.646 -1.535 12.135 1.00 0.00 H new ATOM 0 HG2 LYS A 14 3.390 -2.537 11.872 1.00 0.00 H new ATOM 0 HG3 LYS A 14 3.547 -2.444 10.129 1.00 0.00 H new ATOM 0 HD2 LYS A 14 5.563 -3.918 10.240 1.00 0.00 H new ATOM 0 HD3 LYS A 14 5.380 -4.026 11.980 1.00 0.00 H new ATOM 0 HE2 LYS A 14 3.141 -5.054 11.699 1.00 0.00 H new ATOM 0 HE3 LYS A 14 3.278 -4.908 9.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 3.844 -7.128 10.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 5.206 -6.380 10.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 5.073 -6.522 11.700 1.00 0.00 H new ATOM 232 N ASP A 15 6.145 1.631 10.702 1.00 0.00 N ATOM 233 CA ASP A 15 7.128 2.665 11.004 1.00 0.00 C ATOM 234 C ASP A 15 6.454 3.946 11.478 1.00 0.00 C ATOM 235 O ASP A 15 7.051 4.741 12.204 1.00 0.00 O ATOM 236 CB ASP A 15 8.000 2.951 9.779 1.00 0.00 C ATOM 237 CG ASP A 15 9.007 1.857 9.453 1.00 0.00 C ATOM 238 OD1 ASP A 15 9.212 1.000 10.281 1.00 0.00 O ATOM 239 OD2 ASP A 15 9.445 1.796 8.329 1.00 0.00 O ATOM 0 H ASP A 15 6.046 1.421 9.709 1.00 0.00 H new ATOM 0 HA ASP A 15 7.761 2.296 11.810 1.00 0.00 H new ATOM 0 HB2 ASP A 15 7.353 3.101 8.915 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.537 3.885 9.941 1.00 0.00 H new ATOM 244 N GLY A 16 5.207 4.140 11.063 1.00 0.00 N ATOM 245 CA GLY A 16 4.477 5.363 11.378 1.00 0.00 C ATOM 246 C GLY A 16 4.942 6.522 10.506 1.00 0.00 C ATOM 247 O GLY A 16 5.018 7.663 10.962 1.00 0.00 O ATOM 0 H GLY A 16 4.680 3.466 10.507 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.409 5.200 11.232 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.620 5.615 12.429 1.00 0.00 H new ATOM 251 N ASN A 17 5.252 6.223 9.249 1.00 0.00 N ATOM 252 CA ASN A 17 5.780 7.225 8.331 1.00 0.00 C ATOM 253 C ASN A 17 4.681 8.165 7.850 1.00 0.00 C ATOM 254 O ASN A 17 4.950 9.295 7.444 1.00 0.00 O ATOM 255 CB ASN A 17 6.476 6.582 7.146 1.00 0.00 C ATOM 256 CG ASN A 17 7.791 5.940 7.492 1.00 0.00 C ATOM 257 OD1 ASN A 17 8.425 6.280 8.498 1.00 0.00 O ATOM 258 ND2 ASN A 17 8.241 5.072 6.623 1.00 0.00 N ATOM 0 H ASN A 17 5.146 5.294 8.842 1.00 0.00 H new ATOM 0 HA ASN A 17 6.517 7.809 8.882 1.00 0.00 H new ATOM 0 HB2 ASN A 17 5.817 5.829 6.714 1.00 0.00 H new ATOM 0 HB3 ASN A 17 6.642 7.339 6.379 1.00 0.00 H new ATOM 0 HD21 ASN A 17 9.155 4.641 6.759 1.00 0.00 H new ATOM 0 HD22 ASN A 17 7.677 4.826 5.809 1.00 0.00 H new ATOM 265 N GLY A 18 3.441 7.689 7.897 1.00 0.00 N ATOM 266 CA GLY A 18 2.305 8.463 7.411 1.00 0.00 C ATOM 267 C GLY A 18 1.931 8.058 5.990 1.00 0.00 C ATOM 268 O GLY A 18 1.251 8.801 5.282 1.00 0.00 O ATOM 0 H GLY A 18 3.197 6.770 8.267 1.00 0.00 H new ATOM 0 HA2 GLY A 18 1.451 8.314 8.071 1.00 0.00 H new ATOM 0 HA3 GLY A 18 2.547 9.525 7.438 1.00 0.00 H new ATOM 272 N PHE A 19 2.379 6.877 5.579 1.00 0.00 N ATOM 273 CA PHE A 19 2.144 6.399 4.222 1.00 0.00 C ATOM 274 C PHE A 19 2.660 4.977 4.042 1.00 0.00 C ATOM 275 O PHE A 19 3.394 4.462 4.886 1.00 0.00 O ATOM 276 CB PHE A 19 2.804 7.331 3.205 1.00 0.00 C ATOM 277 CG PHE A 19 4.297 7.427 3.350 1.00 0.00 C ATOM 278 CD1 PHE A 19 5.126 6.475 2.777 1.00 0.00 C ATOM 279 CD2 PHE A 19 4.873 8.469 4.060 1.00 0.00 C ATOM 280 CE1 PHE A 19 6.499 6.562 2.910 1.00 0.00 C ATOM 281 CE2 PHE A 19 6.245 8.560 4.194 1.00 0.00 C ATOM 282 CZ PHE A 19 7.058 7.605 3.618 1.00 0.00 C ATOM 0 H PHE A 19 2.907 6.233 6.167 1.00 0.00 H new ATOM 0 HA PHE A 19 1.067 6.394 4.051 1.00 0.00 H new ATOM 0 HB2 PHE A 19 2.568 6.982 2.200 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.374 8.327 3.306 1.00 0.00 H new ATOM 0 HD1 PHE A 19 4.694 5.656 2.221 1.00 0.00 H new ATOM 0 HD2 PHE A 19 4.242 9.219 4.514 1.00 0.00 H new ATOM 0 HE1 PHE A 19 7.134 5.813 2.460 1.00 0.00 H new ATOM 0 HE2 PHE A 19 6.681 9.378 4.749 1.00 0.00 H new ATOM 0 HZ PHE A 19 8.131 7.674 3.722 1.00 0.00 H new ATOM 292 N ILE A 20 2.273 4.347 2.939 1.00 0.00 N ATOM 293 CA ILE A 20 2.766 3.017 2.602 1.00 0.00 C ATOM 294 C ILE A 20 3.837 3.084 1.522 1.00 0.00 C ATOM 295 O ILE A 20 3.588 3.561 0.415 1.00 0.00 O ATOM 296 CB ILE A 20 1.627 2.096 2.126 1.00 0.00 C ATOM 297 CG1 ILE A 20 0.529 2.011 3.189 1.00 0.00 C ATOM 298 CG2 ILE A 20 2.164 0.711 1.799 1.00 0.00 C ATOM 299 CD1 ILE A 20 1.005 1.467 4.516 1.00 0.00 C ATOM 0 H ILE A 20 1.618 4.737 2.261 1.00 0.00 H new ATOM 0 HA ILE A 20 3.199 2.603 3.513 1.00 0.00 H new ATOM 0 HB ILE A 20 1.195 2.519 1.219 1.00 0.00 H new ATOM 0 HG12 ILE A 20 0.109 3.005 3.344 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -0.277 1.379 2.816 1.00 0.00 H new ATOM 0 HG21 ILE A 20 1.346 0.073 1.464 1.00 0.00 H new ATOM 0 HG22 ILE A 20 2.911 0.788 1.009 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.621 0.278 2.689 1.00 0.00 H new ATOM 0 HD11 ILE A 20 0.171 1.437 5.217 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.398 0.460 4.376 1.00 0.00 H new ATOM 0 HD13 ILE A 20 1.790 2.111 4.913 1.00 0.00 H new ATOM 311 N ASP A 21 5.032 2.603 1.850 1.00 0.00 N ATOM 312 CA ASP A 21 6.116 2.517 0.880 1.00 0.00 C ATOM 313 C ASP A 21 6.176 1.135 0.243 1.00 0.00 C ATOM 314 O ASP A 21 5.331 0.280 0.509 1.00 0.00 O ATOM 315 CB ASP A 21 7.456 2.850 1.540 1.00 0.00 C ATOM 316 CG ASP A 21 7.913 1.836 2.581 1.00 0.00 C ATOM 317 OD1 ASP A 21 7.329 0.780 2.650 1.00 0.00 O ATOM 318 OD2 ASP A 21 8.934 2.056 3.187 1.00 0.00 O ATOM 0 H ASP A 21 5.274 2.266 2.782 1.00 0.00 H new ATOM 0 HA ASP A 21 5.918 3.247 0.095 1.00 0.00 H new ATOM 0 HB2 ASP A 21 8.219 2.927 0.766 1.00 0.00 H new ATOM 0 HB3 ASP A 21 7.381 3.829 2.013 1.00 0.00 H new ATOM 323 N ARG A 22 7.180 0.920 -0.601 1.00 0.00 N ATOM 324 CA ARG A 22 7.254 -0.288 -1.414 1.00 0.00 C ATOM 325 C ARG A 22 7.667 -1.491 -0.576 1.00 0.00 C ATOM 326 O ARG A 22 7.401 -2.636 -0.942 1.00 0.00 O ATOM 327 CB ARG A 22 8.161 -0.112 -2.622 1.00 0.00 C ATOM 328 CG ARG A 22 7.657 0.875 -3.663 1.00 0.00 C ATOM 329 CD ARG A 22 8.585 1.090 -4.803 1.00 0.00 C ATOM 330 NE ARG A 22 9.831 1.751 -4.451 1.00 0.00 N ATOM 331 CZ ARG A 22 10.821 2.030 -5.320 1.00 0.00 C ATOM 332 NH1 ARG A 22 10.733 1.677 -6.584 1.00 0.00 N ATOM 333 NH2 ARG A 22 11.896 2.650 -4.865 1.00 0.00 N ATOM 0 H ARG A 22 7.955 1.568 -0.740 1.00 0.00 H new ATOM 0 HA ARG A 22 6.252 -0.478 -1.799 1.00 0.00 H new ATOM 0 HB2 ARG A 22 9.142 0.215 -2.277 1.00 0.00 H new ATOM 0 HB3 ARG A 22 8.299 -1.082 -3.099 1.00 0.00 H new ATOM 0 HG2 ARG A 22 6.701 0.521 -4.050 1.00 0.00 H new ATOM 0 HG3 ARG A 22 7.469 1.833 -3.177 1.00 0.00 H new ATOM 0 HD2 ARG A 22 8.815 0.125 -5.254 1.00 0.00 H new ATOM 0 HD3 ARG A 22 8.076 1.683 -5.562 1.00 0.00 H new ATOM 0 HE ARG A 22 9.965 2.023 -3.477 1.00 0.00 H new ATOM 0 HH11 ARG A 22 9.905 1.184 -6.919 1.00 0.00 H new ATOM 0 HH12 ARG A 22 11.492 1.896 -7.229 1.00 0.00 H new ATOM 0 HH21 ARG A 22 11.959 2.904 -3.879 1.00 0.00 H new ATOM 0 HH22 ARG A 22 12.662 2.874 -5.500 1.00 0.00 H new ATOM 347 N GLU A 23 8.318 -1.225 0.551 1.00 0.00 N ATOM 348 CA GLU A 23 8.773 -2.286 1.442 1.00 0.00 C ATOM 349 C GLU A 23 7.614 -2.863 2.246 1.00 0.00 C ATOM 350 O GLU A 23 7.530 -4.074 2.451 1.00 0.00 O ATOM 351 CB GLU A 23 9.858 -1.765 2.386 1.00 0.00 C ATOM 352 CG GLU A 23 11.177 -1.429 1.702 1.00 0.00 C ATOM 353 CD GLU A 23 12.172 -0.868 2.679 1.00 0.00 C ATOM 354 OE1 GLU A 23 11.819 -0.690 3.821 1.00 0.00 O ATOM 355 OE2 GLU A 23 13.315 -0.724 2.316 1.00 0.00 O ATOM 0 H GLU A 23 8.543 -0.282 0.870 1.00 0.00 H new ATOM 0 HA GLU A 23 9.192 -3.082 0.826 1.00 0.00 H new ATOM 0 HB2 GLU A 23 9.486 -0.873 2.890 1.00 0.00 H new ATOM 0 HB3 GLU A 23 10.042 -2.513 3.157 1.00 0.00 H new ATOM 0 HG2 GLU A 23 11.587 -2.326 1.237 1.00 0.00 H new ATOM 0 HG3 GLU A 23 11.002 -0.708 0.904 1.00 0.00 H new ATOM 362 N GLU A 24 6.722 -1.988 2.700 1.00 0.00 N ATOM 363 CA GLU A 24 5.545 -2.412 3.449 1.00 0.00 C ATOM 364 C GLU A 24 4.503 -3.036 2.530 1.00 0.00 C ATOM 365 O GLU A 24 3.807 -3.977 2.913 1.00 0.00 O ATOM 366 CB GLU A 24 4.939 -1.231 4.208 1.00 0.00 C ATOM 367 CG GLU A 24 5.811 -0.689 5.330 1.00 0.00 C ATOM 368 CD GLU A 24 6.170 -1.769 6.313 1.00 0.00 C ATOM 369 OE1 GLU A 24 5.283 -2.444 6.776 1.00 0.00 O ATOM 370 OE2 GLU A 24 7.340 -1.994 6.516 1.00 0.00 O ATOM 0 H GLU A 24 6.792 -0.980 2.562 1.00 0.00 H new ATOM 0 HA GLU A 24 5.861 -3.168 4.167 1.00 0.00 H new ATOM 0 HB2 GLU A 24 4.736 -0.426 3.501 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.980 -1.537 4.626 1.00 0.00 H new ATOM 0 HG2 GLU A 24 6.721 -0.259 4.911 1.00 0.00 H new ATOM 0 HG3 GLU A 24 5.286 0.115 5.846 1.00 0.00 H new ATOM 377 N PHE A 25 4.399 -2.506 1.316 1.00 0.00 N ATOM 378 CA PHE A 25 3.484 -3.048 0.318 1.00 0.00 C ATOM 379 C PHE A 25 3.814 -4.501 0.001 1.00 0.00 C ATOM 380 O PHE A 25 2.919 -5.337 -0.129 1.00 0.00 O ATOM 381 CB PHE A 25 3.527 -2.208 -0.959 1.00 0.00 C ATOM 382 CG PHE A 25 2.594 -2.691 -2.033 1.00 0.00 C ATOM 383 CD1 PHE A 25 1.243 -2.381 -1.990 1.00 0.00 C ATOM 384 CD2 PHE A 25 3.066 -3.456 -3.089 1.00 0.00 C ATOM 385 CE1 PHE A 25 0.384 -2.824 -2.978 1.00 0.00 C ATOM 386 CE2 PHE A 25 2.210 -3.900 -4.078 1.00 0.00 C ATOM 387 CZ PHE A 25 0.868 -3.584 -4.021 1.00 0.00 C ATOM 0 H PHE A 25 4.938 -1.700 0.999 1.00 0.00 H new ATOM 0 HA PHE A 25 2.477 -3.010 0.733 1.00 0.00 H new ATOM 0 HB2 PHE A 25 3.279 -1.176 -0.712 1.00 0.00 H new ATOM 0 HB3 PHE A 25 4.545 -2.207 -1.348 1.00 0.00 H new ATOM 0 HD1 PHE A 25 0.858 -1.786 -1.175 1.00 0.00 H new ATOM 0 HD2 PHE A 25 4.115 -3.708 -3.139 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -0.666 -2.575 -2.933 1.00 0.00 H new ATOM 0 HE2 PHE A 25 2.591 -4.494 -4.895 1.00 0.00 H new ATOM 0 HZ PHE A 25 0.198 -3.932 -4.793 1.00 0.00 H new ATOM 397 N GLY A 26 5.103 -4.796 -0.123 1.00 0.00 N ATOM 398 CA GLY A 26 5.560 -6.168 -0.315 1.00 0.00 C ATOM 399 C GLY A 26 5.040 -7.081 0.788 1.00 0.00 C ATOM 400 O GLY A 26 4.647 -8.220 0.531 1.00 0.00 O ATOM 0 H GLY A 26 5.851 -4.103 -0.094 1.00 0.00 H new ATOM 0 HA2 GLY A 26 5.221 -6.535 -1.284 1.00 0.00 H new ATOM 0 HA3 GLY A 26 6.650 -6.193 -0.328 1.00 0.00 H new ATOM 404 N ASP A 27 5.041 -6.577 2.017 1.00 0.00 N ATOM 405 CA ASP A 27 4.528 -7.330 3.155 1.00 0.00 C ATOM 406 C ASP A 27 3.014 -7.476 3.082 1.00 0.00 C ATOM 407 O ASP A 27 2.462 -8.514 3.448 1.00 0.00 O ATOM 408 CB ASP A 27 4.928 -6.655 4.469 1.00 0.00 C ATOM 409 CG ASP A 27 6.401 -6.798 4.827 1.00 0.00 C ATOM 410 OD1 ASP A 27 7.066 -7.600 4.215 1.00 0.00 O ATOM 411 OD2 ASP A 27 6.886 -6.001 5.594 1.00 0.00 O ATOM 0 H ASP A 27 5.392 -5.648 2.251 1.00 0.00 H new ATOM 0 HA ASP A 27 4.969 -8.326 3.120 1.00 0.00 H new ATOM 0 HB2 ASP A 27 4.683 -5.595 4.408 1.00 0.00 H new ATOM 0 HB3 ASP A 27 4.328 -7.075 5.276 1.00 0.00 H new ATOM 416 N ILE A 28 2.346 -6.431 2.606 1.00 0.00 N ATOM 417 CA ILE A 28 0.893 -6.442 2.478 1.00 0.00 C ATOM 418 C ILE A 28 0.433 -7.544 1.532 1.00 0.00 C ATOM 419 O ILE A 28 -0.508 -8.280 1.831 1.00 0.00 O ATOM 420 CB ILE A 28 0.359 -5.090 1.976 1.00 0.00 C ATOM 421 CG1 ILE A 28 0.559 -4.008 3.041 1.00 0.00 C ATOM 422 CG2 ILE A 28 -1.110 -5.205 1.599 1.00 0.00 C ATOM 423 CD1 ILE A 28 0.284 -2.607 2.547 1.00 0.00 C ATOM 0 H ILE A 28 2.788 -5.564 2.302 1.00 0.00 H new ATOM 0 HA ILE A 28 0.491 -6.631 3.473 1.00 0.00 H new ATOM 0 HB ILE A 28 0.920 -4.805 1.086 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -0.094 -4.219 3.887 1.00 0.00 H new ATOM 0 HG13 ILE A 28 1.584 -4.059 3.409 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -1.472 -4.239 1.246 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.226 -5.947 0.809 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -1.687 -5.511 2.472 1.00 0.00 H new ATOM 0 HD11 ILE A 28 0.447 -1.897 3.358 1.00 0.00 H new ATOM 0 HD12 ILE A 28 0.955 -2.374 1.720 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -0.749 -2.538 2.206 1.00 0.00 H new ATOM 435 N ILE A 29 1.101 -7.652 0.388 1.00 0.00 N ATOM 436 CA ILE A 29 0.768 -8.671 -0.600 1.00 0.00 C ATOM 437 C ILE A 29 1.362 -10.022 -0.217 1.00 0.00 C ATOM 438 O ILE A 29 0.918 -11.064 -0.700 1.00 0.00 O ATOM 439 CB ILE A 29 1.267 -8.281 -2.004 1.00 0.00 C ATOM 440 CG1 ILE A 29 2.795 -8.199 -2.024 1.00 0.00 C ATOM 441 CG2 ILE A 29 0.654 -6.958 -2.436 1.00 0.00 C ATOM 442 CD1 ILE A 29 3.375 -7.965 -3.400 1.00 0.00 C ATOM 0 H ILE A 29 1.877 -7.045 0.122 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.319 -8.747 -0.620 1.00 0.00 H new ATOM 0 HB ILE A 29 0.955 -9.051 -2.710 1.00 0.00 H new ATOM 0 HG12 ILE A 29 3.115 -7.393 -1.363 1.00 0.00 H new ATOM 0 HG13 ILE A 29 3.205 -9.125 -1.620 1.00 0.00 H new ATOM 0 HG21 ILE A 29 1.017 -6.696 -3.430 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -0.432 -7.050 -2.458 1.00 0.00 H new ATOM 0 HG23 ILE A 29 0.937 -6.178 -1.730 1.00 0.00 H new ATOM 0 HD11 ILE A 29 4.462 -7.919 -3.334 1.00 0.00 H new ATOM 0 HD12 ILE A 29 3.086 -8.783 -4.060 1.00 0.00 H new ATOM 0 HD13 ILE A 29 2.995 -7.025 -3.800 1.00 0.00 H new ATOM 454 N ARG A 30 2.366 -9.997 0.652 1.00 0.00 N ATOM 455 CA ARG A 30 2.898 -11.219 1.244 1.00 0.00 C ATOM 456 C ARG A 30 1.859 -11.899 2.127 1.00 0.00 C ATOM 457 O ARG A 30 1.800 -13.127 2.197 1.00 0.00 O ATOM 458 CB ARG A 30 4.195 -10.973 2.000 1.00 0.00 C ATOM 459 CG ARG A 30 4.832 -12.217 2.598 1.00 0.00 C ATOM 460 CD ARG A 30 6.151 -11.982 3.239 1.00 0.00 C ATOM 461 NE ARG A 30 6.733 -13.157 3.867 1.00 0.00 N ATOM 462 CZ ARG A 30 7.868 -13.152 4.595 1.00 0.00 C ATOM 463 NH1 ARG A 30 8.565 -12.048 4.756 1.00 0.00 N ATOM 464 NH2 ARG A 30 8.276 -14.293 5.122 1.00 0.00 N ATOM 0 H ARG A 30 2.829 -9.143 0.963 1.00 0.00 H new ATOM 0 HA ARG A 30 3.136 -11.896 0.424 1.00 0.00 H new ATOM 0 HB2 ARG A 30 4.910 -10.506 1.323 1.00 0.00 H new ATOM 0 HB3 ARG A 30 4.002 -10.260 2.802 1.00 0.00 H new ATOM 0 HG2 ARG A 30 4.152 -12.639 3.338 1.00 0.00 H new ATOM 0 HG3 ARG A 30 4.951 -12.963 1.812 1.00 0.00 H new ATOM 0 HD2 ARG A 30 6.845 -11.606 2.487 1.00 0.00 H new ATOM 0 HD3 ARG A 30 6.042 -11.200 3.991 1.00 0.00 H new ATOM 0 HE ARG A 30 6.249 -14.047 3.749 1.00 0.00 H new ATOM 0 HH11 ARG A 30 8.249 -11.178 4.327 1.00 0.00 H new ATOM 0 HH12 ARG A 30 9.421 -12.062 5.310 1.00 0.00 H new ATOM 0 HH21 ARG A 30 7.736 -15.145 4.973 1.00 0.00 H new ATOM 0 HH22 ARG A 30 9.131 -14.321 5.678 1.00 0.00 H new ATOM 478 N LEU A 31 1.041 -11.095 2.798 1.00 0.00 N ATOM 479 CA LEU A 31 0.014 -11.619 3.690 1.00 0.00 C ATOM 480 C LEU A 31 -1.160 -12.188 2.903 1.00 0.00 C ATOM 481 O LEU A 31 -1.881 -13.060 3.389 1.00 0.00 O ATOM 482 CB LEU A 31 -0.468 -10.521 4.646 1.00 0.00 C ATOM 483 CG LEU A 31 0.581 -10.021 5.647 1.00 0.00 C ATOM 484 CD1 LEU A 31 0.039 -8.824 6.417 1.00 0.00 C ATOM 485 CD2 LEU A 31 0.955 -11.149 6.598 1.00 0.00 C ATOM 0 H LEU A 31 1.070 -10.077 2.741 1.00 0.00 H new ATOM 0 HA LEU A 31 0.453 -12.429 4.273 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.816 -9.674 4.055 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.327 -10.897 5.202 1.00 0.00 H new ATOM 0 HG LEU A 31 1.475 -9.705 5.109 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.791 -8.476 7.125 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.202 -8.021 5.720 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.861 -9.117 6.958 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.701 -10.793 7.309 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.067 -11.479 7.138 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.365 -11.983 6.029 1.00 0.00 H new ATOM 497 N THR A 32 -1.345 -11.693 1.684 1.00 0.00 N ATOM 498 CA THR A 32 -2.488 -12.080 0.865 1.00 0.00 C ATOM 499 C THR A 32 -2.132 -13.236 -0.062 1.00 0.00 C ATOM 500 O THR A 32 -3.015 -13.912 -0.592 1.00 0.00 O ATOM 501 CB THR A 32 -3.005 -10.900 0.022 1.00 0.00 C ATOM 502 OG1 THR A 32 -1.971 -10.452 -0.864 1.00 0.00 O ATOM 503 CG2 THR A 32 -3.431 -9.749 0.921 1.00 0.00 C ATOM 0 H THR A 32 -0.717 -11.022 1.241 1.00 0.00 H new ATOM 0 HA THR A 32 -3.274 -12.395 1.551 1.00 0.00 H new ATOM 0 HB THR A 32 -3.867 -11.236 -0.555 1.00 0.00 H new ATOM 0 HG1 THR A 32 -2.373 -9.983 -1.625 1.00 0.00 H new ATOM 0 HG21 THR A 32 -3.794 -8.924 0.308 1.00 0.00 H new ATOM 0 HG22 THR A 32 -4.226 -10.083 1.587 1.00 0.00 H new ATOM 0 HG23 THR A 32 -2.579 -9.415 1.512 1.00 0.00 H new ATOM 511 N GLY A 33 -0.837 -13.458 -0.254 1.00 0.00 N ATOM 512 CA GLY A 33 -0.363 -14.529 -1.122 1.00 0.00 C ATOM 513 C GLY A 33 -0.322 -14.081 -2.577 1.00 0.00 C ATOM 514 O GLY A 33 -0.507 -14.885 -3.490 1.00 0.00 O ATOM 0 H GLY A 33 -0.095 -12.909 0.181 1.00 0.00 H new ATOM 0 HA2 GLY A 33 0.632 -14.842 -0.807 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -1.016 -15.396 -1.024 1.00 0.00 H new ATOM 518 N GLU A 34 -0.077 -12.792 -2.787 1.00 0.00 N ATOM 519 CA GLU A 34 -0.045 -12.227 -4.130 1.00 0.00 C ATOM 520 C GLU A 34 1.383 -11.933 -4.571 1.00 0.00 C ATOM 521 O GLU A 34 2.063 -11.091 -3.984 1.00 0.00 O ATOM 522 CB GLU A 34 -0.888 -10.951 -4.196 1.00 0.00 C ATOM 523 CG GLU A 34 -2.385 -11.180 -4.048 1.00 0.00 C ATOM 524 CD GLU A 34 -3.141 -9.879 -4.065 1.00 0.00 C ATOM 525 OE1 GLU A 34 -2.951 -9.093 -3.168 1.00 0.00 O ATOM 526 OE2 GLU A 34 -3.821 -9.623 -5.030 1.00 0.00 O ATOM 0 H GLU A 34 0.103 -12.118 -2.043 1.00 0.00 H new ATOM 0 HA GLU A 34 -0.467 -12.966 -4.811 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -0.557 -10.270 -3.412 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.701 -10.455 -5.148 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -2.739 -11.819 -4.857 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -2.584 -11.707 -3.115 1.00 0.00 H new ATOM 533 N GLN A 35 1.833 -12.632 -5.608 1.00 0.00 N ATOM 534 CA GLN A 35 3.204 -12.495 -6.086 1.00 0.00 C ATOM 535 C GLN A 35 3.305 -11.432 -7.171 1.00 0.00 C ATOM 536 O GLN A 35 2.985 -11.684 -8.333 1.00 0.00 O ATOM 537 CB GLN A 35 3.719 -13.833 -6.624 1.00 0.00 C ATOM 538 CG GLN A 35 3.815 -14.929 -5.577 1.00 0.00 C ATOM 539 CD GLN A 35 4.843 -14.618 -4.505 1.00 0.00 C ATOM 540 OE1 GLN A 35 5.986 -14.262 -4.807 1.00 0.00 O ATOM 541 NE2 GLN A 35 4.444 -14.752 -3.247 1.00 0.00 N ATOM 0 H GLN A 35 1.268 -13.299 -6.133 1.00 0.00 H new ATOM 0 HA GLN A 35 3.820 -12.186 -5.242 1.00 0.00 H new ATOM 0 HB2 GLN A 35 3.060 -14.168 -7.425 1.00 0.00 H new ATOM 0 HB3 GLN A 35 4.704 -13.680 -7.065 1.00 0.00 H new ATOM 0 HG2 GLN A 35 2.840 -15.069 -5.111 1.00 0.00 H new ATOM 0 HG3 GLN A 35 4.074 -15.870 -6.063 1.00 0.00 H new ATOM 0 HE21 GLN A 35 3.490 -15.049 -3.044 1.00 0.00 H new ATOM 0 HE22 GLN A 35 5.092 -14.558 -2.483 1.00 0.00 H new ATOM 550 N LEU A 36 3.753 -10.241 -6.786 1.00 0.00 N ATOM 551 CA LEU A 36 3.937 -9.148 -7.734 1.00 0.00 C ATOM 552 C LEU A 36 5.415 -8.874 -7.977 1.00 0.00 C ATOM 553 O LEU A 36 6.249 -9.082 -7.095 1.00 0.00 O ATOM 554 CB LEU A 36 3.236 -7.883 -7.226 1.00 0.00 C ATOM 555 CG LEU A 36 1.728 -8.025 -6.979 1.00 0.00 C ATOM 556 CD1 LEU A 36 1.164 -6.723 -6.428 1.00 0.00 C ATOM 557 CD2 LEU A 36 1.035 -8.407 -8.278 1.00 0.00 C ATOM 0 H LEU A 36 3.995 -10.008 -5.823 1.00 0.00 H new ATOM 0 HA LEU A 36 3.490 -9.443 -8.683 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.712 -7.572 -6.296 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.396 -7.083 -7.949 1.00 0.00 H new ATOM 0 HG LEU A 36 1.552 -8.810 -6.243 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.093 -6.834 -6.256 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.659 -6.481 -5.488 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.335 -5.920 -7.145 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.036 -8.508 -8.103 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.209 -7.632 -9.025 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.435 -9.355 -8.638 1.00 0.00 H new ATOM 569 N THR A 37 5.735 -8.406 -9.179 1.00 0.00 N ATOM 570 CA THR A 37 7.111 -8.075 -9.531 1.00 0.00 C ATOM 571 C THR A 37 7.468 -6.663 -9.091 1.00 0.00 C ATOM 572 O THR A 37 6.601 -5.895 -8.673 1.00 0.00 O ATOM 573 CB THR A 37 7.352 -8.206 -11.047 1.00 0.00 C ATOM 574 OG1 THR A 37 6.594 -7.208 -11.743 1.00 0.00 O ATOM 575 CG2 THR A 37 6.938 -9.584 -11.537 1.00 0.00 C ATOM 0 H THR A 37 5.059 -8.247 -9.926 1.00 0.00 H new ATOM 0 HA THR A 37 7.749 -8.787 -9.007 1.00 0.00 H new ATOM 0 HB THR A 37 8.415 -8.067 -11.243 1.00 0.00 H new ATOM 0 HG1 THR A 37 6.750 -7.292 -12.707 1.00 0.00 H new ATOM 0 HG21 THR A 37 7.116 -9.657 -12.610 1.00 0.00 H new ATOM 0 HG22 THR A 37 7.522 -10.345 -11.020 1.00 0.00 H new ATOM 0 HG23 THR A 37 5.879 -9.739 -11.333 1.00 0.00 H new ATOM 583 N ASP A 38 8.749 -6.324 -9.186 1.00 0.00 N ATOM 584 CA ASP A 38 9.208 -4.971 -8.897 1.00 0.00 C ATOM 585 C ASP A 38 8.546 -3.956 -9.821 1.00 0.00 C ATOM 586 O ASP A 38 8.231 -2.840 -9.410 1.00 0.00 O ATOM 587 CB ASP A 38 10.731 -4.882 -9.024 1.00 0.00 C ATOM 588 CG ASP A 38 11.497 -5.559 -7.895 1.00 0.00 C ATOM 589 OD1 ASP A 38 10.887 -5.893 -6.908 1.00 0.00 O ATOM 590 OD2 ASP A 38 12.645 -5.878 -8.092 1.00 0.00 O ATOM 0 H ASP A 38 9.489 -6.969 -9.462 1.00 0.00 H new ATOM 0 HA ASP A 38 8.924 -4.735 -7.871 1.00 0.00 H new ATOM 0 HB2 ASP A 38 11.031 -5.331 -9.971 1.00 0.00 H new ATOM 0 HB3 ASP A 38 11.019 -3.832 -9.064 1.00 0.00 H new ATOM 595 N GLU A 39 8.338 -4.352 -11.073 1.00 0.00 N ATOM 596 CA GLU A 39 7.663 -3.498 -12.043 1.00 0.00 C ATOM 597 C GLU A 39 6.188 -3.333 -11.700 1.00 0.00 C ATOM 598 O GLU A 39 5.630 -2.242 -11.820 1.00 0.00 O ATOM 599 CB GLU A 39 7.814 -4.068 -13.455 1.00 0.00 C ATOM 600 CG GLU A 39 9.226 -3.989 -14.018 1.00 0.00 C ATOM 601 CD GLU A 39 9.323 -4.680 -15.350 1.00 0.00 C ATOM 602 OE1 GLU A 39 8.348 -5.253 -15.773 1.00 0.00 O ATOM 603 OE2 GLU A 39 10.335 -4.542 -15.996 1.00 0.00 O ATOM 0 H GLU A 39 8.627 -5.259 -11.439 1.00 0.00 H new ATOM 0 HA GLU A 39 8.133 -2.515 -12.006 1.00 0.00 H new ATOM 0 HB2 GLU A 39 7.496 -5.111 -13.448 1.00 0.00 H new ATOM 0 HB3 GLU A 39 7.139 -3.533 -14.123 1.00 0.00 H new ATOM 0 HG2 GLU A 39 9.519 -2.945 -14.126 1.00 0.00 H new ATOM 0 HG3 GLU A 39 9.925 -4.446 -13.317 1.00 0.00 H new ATOM 610 N ASP A 40 5.560 -4.424 -11.272 1.00 0.00 N ATOM 611 CA ASP A 40 4.170 -4.385 -10.834 1.00 0.00 C ATOM 612 C ASP A 40 3.973 -3.370 -9.716 1.00 0.00 C ATOM 613 O ASP A 40 3.034 -2.576 -9.743 1.00 0.00 O ATOM 614 CB ASP A 40 3.714 -5.772 -10.373 1.00 0.00 C ATOM 615 CG ASP A 40 3.540 -6.782 -11.498 1.00 0.00 C ATOM 616 OD1 ASP A 40 3.474 -6.375 -12.634 1.00 0.00 O ATOM 617 OD2 ASP A 40 3.632 -7.958 -11.233 1.00 0.00 O ATOM 0 H ASP A 40 5.993 -5.346 -11.219 1.00 0.00 H new ATOM 0 HA ASP A 40 3.561 -4.077 -11.684 1.00 0.00 H new ATOM 0 HB2 ASP A 40 4.441 -6.162 -9.660 1.00 0.00 H new ATOM 0 HB3 ASP A 40 2.768 -5.672 -9.841 1.00 0.00 H new ATOM 622 N VAL A 41 4.864 -3.402 -8.731 1.00 0.00 N ATOM 623 CA VAL A 41 4.791 -2.484 -7.601 1.00 0.00 C ATOM 624 C VAL A 41 5.018 -1.045 -8.044 1.00 0.00 C ATOM 625 O VAL A 41 4.318 -0.132 -7.605 1.00 0.00 O ATOM 626 CB VAL A 41 5.819 -2.845 -6.512 1.00 0.00 C ATOM 627 CG1 VAL A 41 5.833 -1.785 -5.421 1.00 0.00 C ATOM 628 CG2 VAL A 41 5.513 -4.211 -5.920 1.00 0.00 C ATOM 0 H VAL A 41 5.646 -4.055 -8.693 1.00 0.00 H new ATOM 0 HA VAL A 41 3.788 -2.578 -7.185 1.00 0.00 H new ATOM 0 HB VAL A 41 6.807 -2.882 -6.971 1.00 0.00 H new ATOM 0 HG11 VAL A 41 6.565 -2.056 -4.660 1.00 0.00 H new ATOM 0 HG12 VAL A 41 6.100 -0.821 -5.854 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.845 -1.718 -4.966 1.00 0.00 H new ATOM 0 HG21 VAL A 41 6.250 -4.448 -5.153 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.518 -4.200 -5.476 1.00 0.00 H new ATOM 0 HG23 VAL A 41 5.552 -4.965 -6.706 1.00 0.00 H new ATOM 638 N ASP A 42 6.000 -0.848 -8.917 1.00 0.00 N ATOM 639 CA ASP A 42 6.353 0.487 -9.385 1.00 0.00 C ATOM 640 C ASP A 42 5.216 1.107 -10.186 1.00 0.00 C ATOM 641 O ASP A 42 5.007 2.320 -10.148 1.00 0.00 O ATOM 642 CB ASP A 42 7.627 0.440 -10.231 1.00 0.00 C ATOM 643 CG ASP A 42 8.905 0.222 -9.433 1.00 0.00 C ATOM 644 OD1 ASP A 42 8.852 0.310 -8.229 1.00 0.00 O ATOM 645 OD2 ASP A 42 9.884 -0.183 -10.014 1.00 0.00 O ATOM 0 H ASP A 42 6.566 -1.597 -9.315 1.00 0.00 H new ATOM 0 HA ASP A 42 6.533 1.110 -8.509 1.00 0.00 H new ATOM 0 HB2 ASP A 42 7.531 -0.359 -10.966 1.00 0.00 H new ATOM 0 HB3 ASP A 42 7.715 1.374 -10.786 1.00 0.00 H new ATOM 650 N GLU A 43 4.483 0.269 -10.912 1.00 0.00 N ATOM 651 CA GLU A 43 3.331 0.726 -11.679 1.00 0.00 C ATOM 652 C GLU A 43 2.184 1.129 -10.762 1.00 0.00 C ATOM 653 O GLU A 43 1.539 2.158 -10.974 1.00 0.00 O ATOM 654 CB GLU A 43 2.869 -0.362 -12.651 1.00 0.00 C ATOM 655 CG GLU A 43 3.792 -0.573 -13.843 1.00 0.00 C ATOM 656 CD GLU A 43 3.371 -1.766 -14.655 1.00 0.00 C ATOM 657 OE1 GLU A 43 2.453 -2.441 -14.253 1.00 0.00 O ATOM 658 OE2 GLU A 43 3.891 -1.941 -15.732 1.00 0.00 O ATOM 0 H GLU A 43 4.667 -0.732 -10.985 1.00 0.00 H new ATOM 0 HA GLU A 43 3.637 1.604 -12.249 1.00 0.00 H new ATOM 0 HB2 GLU A 43 2.777 -1.302 -12.108 1.00 0.00 H new ATOM 0 HB3 GLU A 43 1.875 -0.107 -13.017 1.00 0.00 H new ATOM 0 HG2 GLU A 43 3.787 0.317 -14.472 1.00 0.00 H new ATOM 0 HG3 GLU A 43 4.815 -0.711 -13.494 1.00 0.00 H new ATOM 665 N ILE A 44 1.933 0.315 -9.743 1.00 0.00 N ATOM 666 CA ILE A 44 0.893 0.610 -8.764 1.00 0.00 C ATOM 667 C ILE A 44 1.190 1.904 -8.018 1.00 0.00 C ATOM 668 O ILE A 44 0.306 2.741 -7.830 1.00 0.00 O ATOM 669 CB ILE A 44 0.734 -0.535 -7.747 1.00 0.00 C ATOM 670 CG1 ILE A 44 0.155 -1.777 -8.427 1.00 0.00 C ATOM 671 CG2 ILE A 44 -0.150 -0.097 -6.588 1.00 0.00 C ATOM 672 CD1 ILE A 44 0.211 -3.023 -7.573 1.00 0.00 C ATOM 0 H ILE A 44 2.436 -0.556 -9.573 1.00 0.00 H new ATOM 0 HA ILE A 44 -0.039 0.721 -9.319 1.00 0.00 H new ATOM 0 HB ILE A 44 1.718 -0.787 -7.352 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -0.882 -1.581 -8.699 1.00 0.00 H new ATOM 0 HG13 ILE A 44 0.699 -1.959 -9.354 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -0.252 -0.918 -5.878 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.302 0.760 -6.089 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -1.134 0.181 -6.966 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -0.218 -3.861 -8.123 1.00 0.00 H new ATOM 0 HD12 ILE A 44 1.248 -3.246 -7.322 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -0.357 -2.862 -6.657 1.00 0.00 H new ATOM 684 N PHE A 45 2.439 2.063 -7.594 1.00 0.00 N ATOM 685 CA PHE A 45 2.857 3.259 -6.873 1.00 0.00 C ATOM 686 C PHE A 45 2.907 4.470 -7.795 1.00 0.00 C ATOM 687 O PHE A 45 2.520 5.574 -7.409 1.00 0.00 O ATOM 688 CB PHE A 45 4.222 3.040 -6.219 1.00 0.00 C ATOM 689 CG PHE A 45 4.150 2.380 -4.871 1.00 0.00 C ATOM 690 CD1 PHE A 45 3.704 1.073 -4.746 1.00 0.00 C ATOM 691 CD2 PHE A 45 4.526 3.065 -3.726 1.00 0.00 C ATOM 692 CE1 PHE A 45 3.636 0.465 -3.505 1.00 0.00 C ATOM 693 CE2 PHE A 45 4.461 2.461 -2.486 1.00 0.00 C ATOM 694 CZ PHE A 45 4.015 1.158 -2.376 1.00 0.00 C ATOM 0 H PHE A 45 3.180 1.377 -7.738 1.00 0.00 H new ATOM 0 HA PHE A 45 2.118 3.454 -6.095 1.00 0.00 H new ATOM 0 HB2 PHE A 45 4.837 2.429 -6.880 1.00 0.00 H new ATOM 0 HB3 PHE A 45 4.724 4.002 -6.116 1.00 0.00 H new ATOM 0 HD1 PHE A 45 3.406 0.524 -5.627 1.00 0.00 H new ATOM 0 HD2 PHE A 45 4.874 4.084 -3.805 1.00 0.00 H new ATOM 0 HE1 PHE A 45 3.286 -0.553 -3.421 1.00 0.00 H new ATOM 0 HE2 PHE A 45 4.759 3.007 -1.603 1.00 0.00 H new ATOM 0 HZ PHE A 45 3.964 0.684 -1.407 1.00 0.00 H new ATOM 704 N GLY A 46 3.384 4.257 -9.016 1.00 0.00 N ATOM 705 CA GLY A 46 3.494 5.334 -9.994 1.00 0.00 C ATOM 706 C GLY A 46 2.149 6.012 -10.221 1.00 0.00 C ATOM 707 O GLY A 46 2.068 7.237 -10.306 1.00 0.00 O ATOM 0 H GLY A 46 3.701 3.348 -9.353 1.00 0.00 H new ATOM 0 HA2 GLY A 46 4.221 6.069 -9.649 1.00 0.00 H new ATOM 0 HA3 GLY A 46 3.867 4.935 -10.937 1.00 0.00 H new ATOM 711 N ASP A 47 1.095 5.208 -10.317 1.00 0.00 N ATOM 712 CA ASP A 47 -0.246 5.728 -10.556 1.00 0.00 C ATOM 713 C ASP A 47 -0.767 6.484 -9.341 1.00 0.00 C ATOM 714 O ASP A 47 -1.486 7.475 -9.476 1.00 0.00 O ATOM 715 CB ASP A 47 -1.204 4.592 -10.921 1.00 0.00 C ATOM 716 CG ASP A 47 -1.002 4.022 -12.318 1.00 0.00 C ATOM 717 OD1 ASP A 47 -0.304 4.634 -13.093 1.00 0.00 O ATOM 718 OD2 ASP A 47 -1.414 2.911 -12.551 1.00 0.00 O ATOM 0 H ASP A 47 1.144 4.193 -10.233 1.00 0.00 H new ATOM 0 HA ASP A 47 -0.190 6.425 -11.392 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -1.089 3.788 -10.194 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -2.228 4.955 -10.835 1.00 0.00 H new ATOM 723 N SER A 48 -0.404 6.010 -8.154 1.00 0.00 N ATOM 724 CA SER A 48 -0.926 6.570 -6.913 1.00 0.00 C ATOM 725 C SER A 48 0.136 7.390 -6.191 1.00 0.00 C ATOM 726 O SER A 48 0.033 7.635 -4.989 1.00 0.00 O ATOM 727 CB SER A 48 -1.437 5.460 -6.015 1.00 0.00 C ATOM 728 OG SER A 48 -2.642 4.919 -6.482 1.00 0.00 O ATOM 0 H SER A 48 0.250 5.238 -8.025 1.00 0.00 H new ATOM 0 HA SER A 48 -1.753 7.236 -7.161 1.00 0.00 H new ATOM 0 HB2 SER A 48 -0.687 4.672 -5.950 1.00 0.00 H new ATOM 0 HB3 SER A 48 -1.580 5.847 -5.006 1.00 0.00 H new ATOM 0 HG SER A 48 -3.369 5.558 -6.328 1.00 0.00 H new ATOM 734 N ASP A 49 1.154 7.814 -6.931 1.00 0.00 N ATOM 735 CA ASP A 49 2.202 8.662 -6.378 1.00 0.00 C ATOM 736 C ASP A 49 1.763 10.121 -6.331 1.00 0.00 C ATOM 737 O ASP A 49 1.717 10.799 -7.357 1.00 0.00 O ATOM 738 CB ASP A 49 3.489 8.528 -7.195 1.00 0.00 C ATOM 739 CG ASP A 49 4.687 9.262 -6.608 1.00 0.00 C ATOM 740 OD1 ASP A 49 4.516 9.952 -5.631 1.00 0.00 O ATOM 741 OD2 ASP A 49 5.785 9.008 -7.041 1.00 0.00 O ATOM 0 H ASP A 49 1.275 7.584 -7.917 1.00 0.00 H new ATOM 0 HA ASP A 49 2.394 8.330 -5.358 1.00 0.00 H new ATOM 0 HB2 ASP A 49 3.737 7.471 -7.289 1.00 0.00 H new ATOM 0 HB3 ASP A 49 3.306 8.903 -8.202 1.00 0.00 H new ATOM 746 N THR A 50 1.439 10.597 -5.133 1.00 0.00 N ATOM 747 CA THR A 50 0.876 11.931 -4.966 1.00 0.00 C ATOM 748 C THR A 50 1.942 13.005 -5.139 1.00 0.00 C ATOM 749 O THR A 50 1.752 13.972 -5.876 1.00 0.00 O ATOM 750 CB THR A 50 0.214 12.097 -3.586 1.00 0.00 C ATOM 751 OG1 THR A 50 -0.867 11.165 -3.457 1.00 0.00 O ATOM 752 CG2 THR A 50 -0.318 13.512 -3.416 1.00 0.00 C ATOM 0 H THR A 50 1.557 10.078 -4.263 1.00 0.00 H new ATOM 0 HA THR A 50 0.117 12.049 -5.739 1.00 0.00 H new ATOM 0 HB THR A 50 0.961 11.906 -2.816 1.00 0.00 H new ATOM 0 HG1 THR A 50 -1.197 11.173 -2.534 1.00 0.00 H new ATOM 0 HG21 THR A 50 -0.782 13.611 -2.435 1.00 0.00 H new ATOM 0 HG22 THR A 50 0.504 14.223 -3.501 1.00 0.00 H new ATOM 0 HG23 THR A 50 -1.057 13.718 -4.190 1.00 0.00 H new ATOM 760 N ASP A 51 3.068 12.830 -4.455 1.00 0.00 N ATOM 761 CA ASP A 51 4.074 13.880 -4.349 1.00 0.00 C ATOM 762 C ASP A 51 5.351 13.496 -5.087 1.00 0.00 C ATOM 763 O ASP A 51 6.429 14.007 -4.787 1.00 0.00 O ATOM 764 CB ASP A 51 4.384 14.181 -2.882 1.00 0.00 C ATOM 765 CG ASP A 51 4.921 12.992 -2.095 1.00 0.00 C ATOM 766 OD1 ASP A 51 4.965 11.915 -2.642 1.00 0.00 O ATOM 767 OD2 ASP A 51 5.424 13.197 -1.017 1.00 0.00 O ATOM 0 H ASP A 51 3.307 11.968 -3.965 1.00 0.00 H new ATOM 0 HA ASP A 51 3.668 14.778 -4.815 1.00 0.00 H new ATOM 0 HB2 ASP A 51 5.113 14.990 -2.836 1.00 0.00 H new ATOM 0 HB3 ASP A 51 3.476 14.541 -2.398 1.00 0.00 H new ATOM 772 N LYS A 52 5.222 12.591 -6.052 1.00 0.00 N ATOM 773 CA LYS A 52 6.351 12.192 -6.882 1.00 0.00 C ATOM 774 C LYS A 52 7.510 11.690 -6.031 1.00 0.00 C ATOM 775 O LYS A 52 8.670 12.004 -6.297 1.00 0.00 O ATOM 776 CB LYS A 52 6.809 13.357 -7.760 1.00 0.00 C ATOM 777 CG LYS A 52 5.737 13.902 -8.694 1.00 0.00 C ATOM 778 CD LYS A 52 6.261 15.067 -9.519 1.00 0.00 C ATOM 779 CE LYS A 52 5.172 15.656 -10.403 1.00 0.00 C ATOM 780 NZ LYS A 52 5.651 16.842 -11.163 1.00 0.00 N ATOM 0 H LYS A 52 4.346 12.120 -6.278 1.00 0.00 H new ATOM 0 HA LYS A 52 6.020 11.375 -7.523 1.00 0.00 H new ATOM 0 HB2 LYS A 52 7.158 14.165 -7.117 1.00 0.00 H new ATOM 0 HB3 LYS A 52 7.662 13.033 -8.356 1.00 0.00 H new ATOM 0 HG2 LYS A 52 5.394 13.109 -9.358 1.00 0.00 H new ATOM 0 HG3 LYS A 52 4.875 14.226 -8.111 1.00 0.00 H new ATOM 0 HD2 LYS A 52 6.650 15.839 -8.855 1.00 0.00 H new ATOM 0 HD3 LYS A 52 7.092 14.731 -10.139 1.00 0.00 H new ATOM 0 HE2 LYS A 52 4.821 14.896 -11.101 1.00 0.00 H new ATOM 0 HE3 LYS A 52 4.319 15.941 -9.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 4.878 17.212 -11.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 5.962 17.578 -10.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 6.448 16.566 -11.771 1.00 0.00 H new ATOM 794 N ASN A 53 7.189 10.906 -5.007 1.00 0.00 N ATOM 795 CA ASN A 53 8.192 10.434 -4.060 1.00 0.00 C ATOM 796 C ASN A 53 8.190 8.912 -3.968 1.00 0.00 C ATOM 797 O ASN A 53 8.815 8.334 -3.081 1.00 0.00 O ATOM 798 CB ASN A 53 7.988 11.042 -2.685 1.00 0.00 C ATOM 799 CG ASN A 53 9.214 10.996 -1.816 1.00 0.00 C ATOM 800 OD1 ASN A 53 10.349 11.071 -2.302 1.00 0.00 O ATOM 801 ND2 ASN A 53 8.995 10.793 -0.541 1.00 0.00 N ATOM 0 H ASN A 53 6.241 10.584 -4.812 1.00 0.00 H new ATOM 0 HA ASN A 53 9.164 10.757 -4.434 1.00 0.00 H new ATOM 0 HB2 ASN A 53 7.673 12.079 -2.799 1.00 0.00 H new ATOM 0 HB3 ASN A 53 7.177 10.516 -2.182 1.00 0.00 H new ATOM 0 HD21 ASN A 53 9.781 10.689 0.101 1.00 0.00 H new ATOM 0 HD22 ASN A 53 8.039 10.739 -0.190 1.00 0.00 H new ATOM 808 N GLY A 54 7.482 8.270 -4.892 1.00 0.00 N ATOM 809 CA GLY A 54 7.450 6.814 -4.957 1.00 0.00 C ATOM 810 C GLY A 54 6.771 6.223 -3.728 1.00 0.00 C ATOM 811 O GLY A 54 7.273 5.274 -3.126 1.00 0.00 O ATOM 0 H GLY A 54 6.923 8.736 -5.606 1.00 0.00 H new ATOM 0 HA2 GLY A 54 6.920 6.499 -5.856 1.00 0.00 H new ATOM 0 HA3 GLY A 54 8.466 6.428 -5.035 1.00 0.00 H new ATOM 815 N ARG A 55 5.627 6.791 -3.361 1.00 0.00 N ATOM 816 CA ARG A 55 4.901 6.351 -2.175 1.00 0.00 C ATOM 817 C ARG A 55 3.396 6.434 -2.389 1.00 0.00 C ATOM 818 O ARG A 55 2.923 7.140 -3.279 1.00 0.00 O ATOM 819 CB ARG A 55 5.330 7.109 -0.927 1.00 0.00 C ATOM 820 CG ARG A 55 4.982 8.589 -0.926 1.00 0.00 C ATOM 821 CD ARG A 55 5.440 9.326 0.279 1.00 0.00 C ATOM 822 NE ARG A 55 5.006 10.713 0.339 1.00 0.00 N ATOM 823 CZ ARG A 55 3.860 11.131 0.910 1.00 0.00 C ATOM 824 NH1 ARG A 55 3.013 10.274 1.436 1.00 0.00 N ATOM 825 NH2 ARG A 55 3.597 12.426 0.906 1.00 0.00 N ATOM 0 H ARG A 55 5.183 7.557 -3.868 1.00 0.00 H new ATOM 0 HA ARG A 55 5.157 5.304 -2.011 1.00 0.00 H new ATOM 0 HB2 ARG A 55 4.867 6.641 -0.058 1.00 0.00 H new ATOM 0 HB3 ARG A 55 6.408 7.004 -0.809 1.00 0.00 H new ATOM 0 HG2 ARG A 55 5.420 9.053 -1.809 1.00 0.00 H new ATOM 0 HG3 ARG A 55 3.901 8.696 -1.013 1.00 0.00 H new ATOM 0 HD2 ARG A 55 5.078 8.807 1.166 1.00 0.00 H new ATOM 0 HD3 ARG A 55 6.529 9.297 0.315 1.00 0.00 H new ATOM 0 HE ARG A 55 5.612 11.418 -0.081 1.00 0.00 H new ATOM 0 HH11 ARG A 55 3.219 9.275 1.416 1.00 0.00 H new ATOM 0 HH12 ARG A 55 2.150 10.608 1.864 1.00 0.00 H new ATOM 0 HH21 ARG A 55 4.254 13.079 0.478 1.00 0.00 H new ATOM 0 HH22 ARG A 55 2.737 12.773 1.331 1.00 0.00 H new ATOM 839 N ILE A 56 2.645 5.709 -1.565 1.00 0.00 N ATOM 840 CA ILE A 56 1.189 5.748 -1.621 1.00 0.00 C ATOM 841 C ILE A 56 0.602 6.250 -0.307 1.00 0.00 C ATOM 842 O ILE A 56 0.801 5.642 0.745 1.00 0.00 O ATOM 843 CB ILE A 56 0.598 4.364 -1.942 1.00 0.00 C ATOM 844 CG1 ILE A 56 1.032 3.909 -3.338 1.00 0.00 C ATOM 845 CG2 ILE A 56 -0.918 4.396 -1.836 1.00 0.00 C ATOM 846 CD1 ILE A 56 0.610 2.498 -3.679 1.00 0.00 C ATOM 0 H ILE A 56 3.022 5.087 -0.850 1.00 0.00 H new ATOM 0 HA ILE A 56 0.923 6.438 -2.421 1.00 0.00 H new ATOM 0 HB ILE A 56 0.977 3.647 -1.214 1.00 0.00 H new ATOM 0 HG12 ILE A 56 0.615 4.592 -4.078 1.00 0.00 H new ATOM 0 HG13 ILE A 56 2.117 3.982 -3.413 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -1.320 3.409 -2.066 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.206 4.678 -0.823 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -1.317 5.124 -2.543 1.00 0.00 H new ATOM 0 HD11 ILE A 56 0.953 2.248 -4.683 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.048 1.804 -2.962 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.477 2.423 -3.638 1.00 0.00 H new ATOM 858 N ASP A 57 -0.123 7.361 -0.375 1.00 0.00 N ATOM 859 CA ASP A 57 -0.737 7.948 0.810 1.00 0.00 C ATOM 860 C ASP A 57 -2.071 7.284 1.126 1.00 0.00 C ATOM 861 O ASP A 57 -2.491 6.353 0.437 1.00 0.00 O ATOM 862 CB ASP A 57 -0.932 9.454 0.623 1.00 0.00 C ATOM 863 CG ASP A 57 -1.928 9.830 -0.466 1.00 0.00 C ATOM 864 OD1 ASP A 57 -2.738 9.003 -0.814 1.00 0.00 O ATOM 865 OD2 ASP A 57 -1.975 10.981 -0.829 1.00 0.00 O ATOM 0 H ASP A 57 -0.300 7.873 -1.239 1.00 0.00 H new ATOM 0 HA ASP A 57 -0.064 7.780 1.651 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -1.265 9.885 1.567 1.00 0.00 H new ATOM 0 HB3 ASP A 57 0.032 9.906 0.389 1.00 0.00 H new ATOM 870 N PHE A 58 -2.735 7.767 2.171 1.00 0.00 N ATOM 871 CA PHE A 58 -3.960 7.143 2.656 1.00 0.00 C ATOM 872 C PHE A 58 -5.076 7.244 1.626 1.00 0.00 C ATOM 873 O PHE A 58 -5.831 6.295 1.418 1.00 0.00 O ATOM 874 CB PHE A 58 -4.400 7.784 3.973 1.00 0.00 C ATOM 875 CG PHE A 58 -5.709 7.261 4.494 1.00 0.00 C ATOM 876 CD1 PHE A 58 -5.809 5.967 4.986 1.00 0.00 C ATOM 877 CD2 PHE A 58 -6.842 8.060 4.493 1.00 0.00 C ATOM 878 CE1 PHE A 58 -7.012 5.486 5.465 1.00 0.00 C ATOM 879 CE2 PHE A 58 -8.045 7.581 4.974 1.00 0.00 C ATOM 880 CZ PHE A 58 -8.130 6.292 5.459 1.00 0.00 C ATOM 0 H PHE A 58 -2.444 8.590 2.699 1.00 0.00 H new ATOM 0 HA PHE A 58 -3.751 6.087 2.827 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -3.628 7.617 4.724 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -4.480 8.862 3.833 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -4.937 5.330 4.994 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -6.783 9.069 4.112 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -7.077 4.477 5.845 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -8.919 8.215 4.970 1.00 0.00 H new ATOM 0 HZ PHE A 58 -9.071 5.915 5.833 1.00 0.00 H new ATOM 890 N ASP A 59 -5.176 8.401 0.980 1.00 0.00 N ATOM 891 CA ASP A 59 -6.231 8.646 0.004 1.00 0.00 C ATOM 892 C ASP A 59 -6.203 7.609 -1.110 1.00 0.00 C ATOM 893 O ASP A 59 -7.248 7.173 -1.593 1.00 0.00 O ATOM 894 CB ASP A 59 -6.102 10.053 -0.584 1.00 0.00 C ATOM 895 CG ASP A 59 -6.501 11.173 0.368 1.00 0.00 C ATOM 896 OD1 ASP A 59 -7.085 10.882 1.385 1.00 0.00 O ATOM 897 OD2 ASP A 59 -6.084 12.285 0.153 1.00 0.00 O ATOM 0 H ASP A 59 -4.538 9.185 1.115 1.00 0.00 H new ATOM 0 HA ASP A 59 -7.187 8.565 0.521 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -5.070 10.209 -0.897 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -6.720 10.117 -1.480 1.00 0.00 H new ATOM 902 N GLU A 60 -5.001 7.216 -1.515 1.00 0.00 N ATOM 903 CA GLU A 60 -4.833 6.194 -2.542 1.00 0.00 C ATOM 904 C GLU A 60 -4.765 4.801 -1.927 1.00 0.00 C ATOM 905 O GLU A 60 -5.031 3.804 -2.597 1.00 0.00 O ATOM 906 CB GLU A 60 -3.574 6.465 -3.368 1.00 0.00 C ATOM 907 CG GLU A 60 -3.617 7.758 -4.171 1.00 0.00 C ATOM 908 CD GLU A 60 -4.722 7.732 -5.190 1.00 0.00 C ATOM 909 OE1 GLU A 60 -4.731 6.842 -6.006 1.00 0.00 O ATOM 910 OE2 GLU A 60 -5.619 8.535 -5.084 1.00 0.00 O ATOM 0 H GLU A 60 -4.126 7.590 -1.147 1.00 0.00 H new ATOM 0 HA GLU A 60 -5.702 6.236 -3.198 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -2.714 6.495 -2.699 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -3.416 5.631 -4.052 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.761 8.602 -3.497 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -2.661 7.909 -4.672 1.00 0.00 H new ATOM 917 N PHE A 61 -4.407 4.742 -0.649 1.00 0.00 N ATOM 918 CA PHE A 61 -4.436 3.488 0.096 1.00 0.00 C ATOM 919 C PHE A 61 -5.834 2.885 0.106 1.00 0.00 C ATOM 920 O PHE A 61 -5.995 1.664 0.082 1.00 0.00 O ATOM 921 CB PHE A 61 -3.947 3.707 1.529 1.00 0.00 C ATOM 922 CG PHE A 61 -3.946 2.461 2.367 1.00 0.00 C ATOM 923 CD1 PHE A 61 -2.926 1.528 2.246 1.00 0.00 C ATOM 924 CD2 PHE A 61 -4.965 2.217 3.276 1.00 0.00 C ATOM 925 CE1 PHE A 61 -2.925 0.380 3.016 1.00 0.00 C ATOM 926 CE2 PHE A 61 -4.964 1.071 4.047 1.00 0.00 C ATOM 927 CZ PHE A 61 -3.943 0.152 3.917 1.00 0.00 C ATOM 0 H PHE A 61 -4.093 5.547 -0.107 1.00 0.00 H new ATOM 0 HA PHE A 61 -3.767 2.787 -0.404 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -2.936 4.115 1.500 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -4.579 4.455 2.008 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -2.125 1.701 1.543 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -5.768 2.931 3.382 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -2.126 -0.339 2.912 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -5.763 0.894 4.752 1.00 0.00 H new ATOM 0 HZ PHE A 61 -3.941 -0.744 4.520 1.00 0.00 H new ATOM 937 N LEU A 62 -6.845 3.746 0.142 1.00 0.00 N ATOM 938 CA LEU A 62 -8.232 3.302 0.084 1.00 0.00 C ATOM 939 C LEU A 62 -8.496 2.482 -1.173 1.00 0.00 C ATOM 940 O LEU A 62 -9.389 1.636 -1.197 1.00 0.00 O ATOM 941 CB LEU A 62 -9.178 4.509 0.140 1.00 0.00 C ATOM 942 CG LEU A 62 -9.163 5.289 1.462 1.00 0.00 C ATOM 943 CD1 LEU A 62 -10.002 6.552 1.333 1.00 0.00 C ATOM 944 CD2 LEU A 62 -9.691 4.402 2.580 1.00 0.00 C ATOM 0 H LEU A 62 -6.729 4.757 0.211 1.00 0.00 H new ATOM 0 HA LEU A 62 -8.419 2.664 0.948 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -8.919 5.192 -0.669 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -10.194 4.163 -0.048 1.00 0.00 H new ATOM 0 HG LEU A 62 -8.141 5.583 1.700 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -9.985 7.098 2.276 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -9.594 7.181 0.542 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -11.029 6.283 1.088 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -9.681 4.955 3.519 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -10.712 4.096 2.350 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -9.059 3.518 2.672 1.00 0.00 H new ATOM 956 N LYS A 63 -7.712 2.738 -2.215 1.00 0.00 N ATOM 957 CA LYS A 63 -7.784 1.949 -3.439 1.00 0.00 C ATOM 958 C LYS A 63 -6.968 0.669 -3.317 1.00 0.00 C ATOM 959 O LYS A 63 -7.363 -0.381 -3.824 1.00 0.00 O ATOM 960 CB LYS A 63 -7.300 2.771 -4.635 1.00 0.00 C ATOM 961 CG LYS A 63 -8.092 4.047 -4.885 1.00 0.00 C ATOM 962 CD LYS A 63 -7.557 4.804 -6.090 1.00 0.00 C ATOM 963 CE LYS A 63 -8.118 6.217 -6.151 1.00 0.00 C ATOM 964 NZ LYS A 63 -7.429 7.046 -7.179 1.00 0.00 N ATOM 0 H LYS A 63 -7.019 3.486 -2.236 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.827 1.674 -3.598 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.253 3.032 -4.481 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.345 2.149 -5.529 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -9.142 3.800 -5.045 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -8.045 4.685 -4.002 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -6.469 4.845 -6.042 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -7.816 4.268 -7.003 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -9.184 6.175 -6.374 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -8.015 6.691 -5.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -7.744 8.034 -7.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -6.401 6.998 -7.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -7.660 6.686 -8.127 1.00 0.00 H new ATOM 978 N MET A 64 -5.827 0.762 -2.644 1.00 0.00 N ATOM 979 CA MET A 64 -4.978 -0.400 -2.409 1.00 0.00 C ATOM 980 C MET A 64 -5.766 -1.536 -1.770 1.00 0.00 C ATOM 981 O MET A 64 -5.658 -2.690 -2.189 1.00 0.00 O ATOM 982 CB MET A 64 -3.791 -0.017 -1.526 1.00 0.00 C ATOM 983 CG MET A 64 -2.795 -1.143 -1.289 1.00 0.00 C ATOM 984 SD MET A 64 -1.516 -0.699 -0.097 1.00 0.00 S ATOM 985 CE MET A 64 -0.715 0.658 -0.948 1.00 0.00 C ATOM 0 H MET A 64 -5.468 1.632 -2.251 1.00 0.00 H new ATOM 0 HA MET A 64 -4.606 -0.748 -3.373 1.00 0.00 H new ATOM 0 HB2 MET A 64 -3.269 0.823 -1.984 1.00 0.00 H new ATOM 0 HB3 MET A 64 -4.167 0.328 -0.563 1.00 0.00 H new ATOM 0 HG2 MET A 64 -3.327 -2.025 -0.933 1.00 0.00 H new ATOM 0 HG3 MET A 64 -2.326 -1.414 -2.235 1.00 0.00 H new ATOM 0 HE1 MET A 64 0.356 0.631 -0.748 1.00 0.00 H new ATOM 0 HE2 MET A 64 -0.886 0.567 -2.021 1.00 0.00 H new ATOM 0 HE3 MET A 64 -1.127 1.603 -0.594 1.00 0.00 H new ATOM 995 N MET A 65 -6.557 -1.205 -0.756 1.00 0.00 N ATOM 996 CA MET A 65 -7.239 -2.214 0.045 1.00 0.00 C ATOM 997 C MET A 65 -8.307 -2.932 -0.768 1.00 0.00 C ATOM 998 O MET A 65 -8.741 -4.028 -0.412 1.00 0.00 O ATOM 999 CB MET A 65 -7.861 -1.572 1.284 1.00 0.00 C ATOM 1000 CG MET A 65 -6.853 -1.115 2.329 1.00 0.00 C ATOM 1001 SD MET A 65 -5.738 -2.436 2.845 1.00 0.00 S ATOM 1002 CE MET A 65 -6.891 -3.568 3.616 1.00 0.00 C ATOM 0 H MET A 65 -6.742 -0.244 -0.469 1.00 0.00 H new ATOM 0 HA MET A 65 -6.501 -2.952 0.359 1.00 0.00 H new ATOM 0 HB2 MET A 65 -8.458 -0.714 0.973 1.00 0.00 H new ATOM 0 HB3 MET A 65 -8.544 -2.286 1.744 1.00 0.00 H new ATOM 0 HG2 MET A 65 -6.268 -0.288 1.926 1.00 0.00 H new ATOM 0 HG3 MET A 65 -7.386 -0.734 3.200 1.00 0.00 H new ATOM 0 HE1 MET A 65 -6.341 -4.307 4.199 1.00 0.00 H new ATOM 0 HE2 MET A 65 -7.561 -3.013 4.273 1.00 0.00 H new ATOM 0 HE3 MET A 65 -7.474 -4.074 2.846 1.00 0.00 H new ATOM 1012 N GLU A 66 -8.729 -2.310 -1.864 1.00 0.00 N ATOM 1013 CA GLU A 66 -9.644 -2.947 -2.803 1.00 0.00 C ATOM 1014 C GLU A 66 -8.971 -4.105 -3.529 1.00 0.00 C ATOM 1015 O GLU A 66 -9.626 -5.075 -3.910 1.00 0.00 O ATOM 1016 CB GLU A 66 -10.169 -1.927 -3.815 1.00 0.00 C ATOM 1017 CG GLU A 66 -11.094 -0.873 -3.224 1.00 0.00 C ATOM 1018 CD GLU A 66 -11.497 0.142 -4.257 1.00 0.00 C ATOM 1019 OE1 GLU A 66 -11.015 0.062 -5.361 1.00 0.00 O ATOM 1020 OE2 GLU A 66 -12.371 0.929 -3.979 1.00 0.00 O ATOM 0 H GLU A 66 -8.451 -1.364 -2.124 1.00 0.00 H new ATOM 0 HA GLU A 66 -10.483 -3.344 -2.232 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -9.320 -1.427 -4.282 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -10.701 -2.458 -4.605 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -11.984 -1.354 -2.817 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -10.595 -0.372 -2.394 1.00 0.00 H new