USER MOD reduce.3.24.130724 H: found=0, std=0, add=502, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 501 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 51 ASN : amide:sc= -0.0731 K(o=-0.073,f=-2.9!) USER MOD Single : A 55 LYS NZ :NH3+ -162:sc= -0.0336 (180deg=-0.28) USER MOD Single : A 56 THR OG1 : rot 79:sc= 1.23 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= 1.35 K(o=1.4,f=0) USER MOD Single : A 73 GLN : amide:sc= -0.353 X(o=-0.35,f=-0.28) USER MOD Single : A 74 ASN : amide:sc= -0.135 K(o=-0.14,f=-0.71) USER MOD Single : A 77 ASN : amide:sc= -0.0781 X(o=-0.078,f=0) USER MOD Single : A 78 ASN : amide:sc= -0.122 X(o=-0.12,f=-0.38) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= -0.784 K(o=-0.78,f=-1.7) USER MOD Single : A 85 ASN : amide:sc= -0.601 K(o=-0.6,f=-1.5) USER MOD Single : A 87 ASN : amide:sc= -0.417 X(o=-0.42,f=0) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HE2:sc= 0.285 K(o=0.28,f=-1.6!) USER MOD Single : A 93 TYR OH : rot 30:sc= 0 USER MOD Single : A 94 TYR OH : rot 165:sc= -0.0402 USER MOD Single : A 96 HIS : no HD1:sc= -0.401 X(o=-0.4,f=-0.27) USER MOD Single : A 97 LYS NZ :NH3+ 168:sc=-0.00922 (180deg=-0.257) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ -175:sc= 0.898 (180deg=0.885) USER MOD Single : A 107 GLN : amide:sc= 0 K(o=0,f=-1!) USER MOD Single : A 110 SER OG : rot -47:sc= 0.85 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 47 -1.863 14.780 -5.951 1.00 0.00 N ATOM 2 CA GLY A 47 -1.035 14.007 -5.010 1.00 0.00 C ATOM 3 C GLY A 47 -0.376 12.819 -5.684 1.00 0.00 C ATOM 4 O GLY A 47 -0.598 12.591 -6.873 1.00 0.00 O ATOM 0 HA2 GLY A 47 -0.269 14.654 -4.584 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -1.654 13.659 -4.183 1.00 0.00 H new ATOM 8 N GLU A 48 0.437 12.060 -4.940 1.00 0.00 N ATOM 9 CA GLU A 48 1.131 10.891 -5.476 1.00 0.00 C ATOM 10 C GLU A 48 1.280 9.806 -4.426 1.00 0.00 C ATOM 11 O GLU A 48 0.680 8.754 -4.597 1.00 0.00 O ATOM 12 CB GLU A 48 2.504 11.297 -5.990 1.00 0.00 C ATOM 13 CG GLU A 48 3.188 10.193 -6.810 1.00 0.00 C ATOM 14 CD GLU A 48 3.244 10.538 -8.301 1.00 0.00 C ATOM 15 OE1 GLU A 48 3.549 11.705 -8.649 1.00 0.00 O ATOM 16 OE2 GLU A 48 2.876 9.650 -9.109 1.00 0.00 O ATOM 0 H GLU A 48 0.629 12.240 -3.955 1.00 0.00 H new ATOM 0 HA GLU A 48 0.533 10.491 -6.295 1.00 0.00 H new ATOM 0 HB2 GLU A 48 2.406 12.191 -6.606 1.00 0.00 H new ATOM 0 HB3 GLU A 48 3.139 11.560 -5.144 1.00 0.00 H new ATOM 0 HG2 GLU A 48 4.200 10.037 -6.436 1.00 0.00 H new ATOM 0 HG3 GLU A 48 2.650 9.255 -6.675 1.00 0.00 H new ATOM 23 N VAL A 49 2.013 10.059 -3.334 1.00 0.00 N ATOM 24 CA VAL A 49 2.215 9.094 -2.254 1.00 0.00 C ATOM 25 C VAL A 49 0.865 8.506 -1.847 1.00 0.00 C ATOM 26 O VAL A 49 0.691 7.297 -1.822 1.00 0.00 O ATOM 27 CB VAL A 49 3.012 9.721 -1.090 1.00 0.00 C ATOM 28 CG1 VAL A 49 2.482 11.096 -0.658 1.00 0.00 C ATOM 29 CG2 VAL A 49 3.079 8.790 0.129 1.00 0.00 C ATOM 0 H VAL A 49 2.486 10.949 -3.177 1.00 0.00 H new ATOM 0 HA VAL A 49 2.831 8.263 -2.598 1.00 0.00 H new ATOM 0 HB VAL A 49 4.018 9.865 -1.485 1.00 0.00 H new ATOM 0 HG11 VAL A 49 3.088 11.478 0.163 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.534 11.787 -1.499 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.447 11.000 -0.331 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.649 9.271 0.924 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.069 8.580 0.482 1.00 0.00 H new ATOM 0 HG23 VAL A 49 3.566 7.856 -0.152 1.00 0.00 H new ATOM 39 N ARG A 50 -0.136 9.347 -1.605 1.00 0.00 N ATOM 40 CA ARG A 50 -1.461 8.900 -1.215 1.00 0.00 C ATOM 41 C ARG A 50 -2.142 8.046 -2.285 1.00 0.00 C ATOM 42 O ARG A 50 -2.861 7.111 -1.943 1.00 0.00 O ATOM 43 CB ARG A 50 -2.231 10.143 -0.791 1.00 0.00 C ATOM 44 CG ARG A 50 -3.201 9.880 0.358 1.00 0.00 C ATOM 45 CD ARG A 50 -3.577 11.176 1.063 1.00 0.00 C ATOM 46 NE ARG A 50 -4.318 12.108 0.201 1.00 0.00 N ATOM 47 CZ ARG A 50 -4.708 13.334 0.564 1.00 0.00 C ATOM 48 NH1 ARG A 50 -4.344 13.803 1.750 1.00 0.00 N ATOM 49 NH2 ARG A 50 -5.450 14.087 -0.245 1.00 0.00 N ATOM 0 H ARG A 50 -0.046 10.361 -1.675 1.00 0.00 H new ATOM 0 HA ARG A 50 -1.414 8.209 -0.373 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -1.524 10.917 -0.493 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -2.785 10.530 -1.646 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -4.100 9.396 -0.024 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -2.747 9.192 1.072 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -4.181 10.943 1.940 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -2.670 11.664 1.421 1.00 0.00 H new ATOM 0 HE ARG A 50 -4.551 11.797 -0.742 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -3.774 13.230 2.372 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -4.634 14.737 2.040 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -5.730 13.731 -1.159 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -5.738 15.020 0.049 1.00 0.00 H new ATOM 63 N ASN A 51 -1.906 8.347 -3.561 1.00 0.00 N ATOM 64 CA ASN A 51 -2.460 7.635 -4.708 1.00 0.00 C ATOM 65 C ASN A 51 -1.846 6.239 -4.775 1.00 0.00 C ATOM 66 O ASN A 51 -2.568 5.245 -4.807 1.00 0.00 O ATOM 67 CB ASN A 51 -2.175 8.376 -6.031 1.00 0.00 C ATOM 68 CG ASN A 51 -2.693 9.807 -6.100 1.00 0.00 C ATOM 69 OD1 ASN A 51 -2.464 10.615 -5.200 1.00 0.00 O ATOM 70 ND2 ASN A 51 -3.361 10.176 -7.173 1.00 0.00 N ATOM 0 H ASN A 51 -1.301 9.122 -3.833 1.00 0.00 H new ATOM 0 HA ASN A 51 -3.541 7.575 -4.579 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -1.098 8.389 -6.197 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -2.617 7.807 -6.849 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -3.692 11.137 -7.262 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -3.547 9.501 -7.915 1.00 0.00 H new ATOM 77 N ILE A 52 -0.509 6.152 -4.809 1.00 0.00 N ATOM 78 CA ILE A 52 0.195 4.876 -4.876 1.00 0.00 C ATOM 79 C ILE A 52 -0.097 4.046 -3.630 1.00 0.00 C ATOM 80 O ILE A 52 -0.215 2.835 -3.761 1.00 0.00 O ATOM 81 CB ILE A 52 1.715 5.059 -5.105 1.00 0.00 C ATOM 82 CG1 ILE A 52 2.413 3.713 -5.360 1.00 0.00 C ATOM 83 CG2 ILE A 52 2.406 5.708 -3.906 1.00 0.00 C ATOM 84 CD1 ILE A 52 3.723 3.874 -6.135 1.00 0.00 C ATOM 0 H ILE A 52 0.108 6.964 -4.791 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.179 4.332 -5.743 1.00 0.00 H new ATOM 0 HB ILE A 52 1.801 5.707 -5.977 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.615 3.225 -4.407 1.00 0.00 H new ATOM 0 HG13 ILE A 52 1.742 3.059 -5.917 1.00 0.00 H new ATOM 0 HG21 ILE A 52 3.471 5.816 -4.114 1.00 0.00 H new ATOM 0 HG22 ILE A 52 1.971 6.691 -3.723 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.270 5.081 -3.025 1.00 0.00 H new ATOM 0 HD11 ILE A 52 4.177 2.895 -6.289 1.00 0.00 H new ATOM 0 HD12 ILE A 52 3.520 4.336 -7.101 1.00 0.00 H new ATOM 0 HD13 ILE A 52 4.406 4.505 -5.567 1.00 0.00 H new ATOM 96 N VAL A 53 -0.227 4.668 -2.454 1.00 0.00 N ATOM 97 CA VAL A 53 -0.510 4.006 -1.196 1.00 0.00 C ATOM 98 C VAL A 53 -1.844 3.295 -1.361 1.00 0.00 C ATOM 99 O VAL A 53 -1.891 2.065 -1.282 1.00 0.00 O ATOM 100 CB VAL A 53 -0.477 5.069 -0.068 1.00 0.00 C ATOM 101 CG1 VAL A 53 -1.243 4.762 1.216 1.00 0.00 C ATOM 102 CG2 VAL A 53 0.968 5.346 0.365 1.00 0.00 C ATOM 0 H VAL A 53 -0.133 5.679 -2.358 1.00 0.00 H new ATOM 0 HA VAL A 53 0.227 3.253 -0.918 1.00 0.00 H new ATOM 0 HB VAL A 53 -0.978 5.913 -0.541 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.131 5.592 1.914 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -2.299 4.622 0.985 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -0.847 3.853 1.668 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.973 6.094 1.157 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.421 4.425 0.733 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.539 5.716 -0.487 1.00 0.00 H new ATOM 112 N ASP A 54 -2.910 4.055 -1.609 1.00 0.00 N ATOM 113 CA ASP A 54 -4.278 3.567 -1.779 1.00 0.00 C ATOM 114 C ASP A 54 -4.343 2.406 -2.775 1.00 0.00 C ATOM 115 O ASP A 54 -4.851 1.330 -2.454 1.00 0.00 O ATOM 116 CB ASP A 54 -5.150 4.757 -2.192 1.00 0.00 C ATOM 117 CG ASP A 54 -6.602 4.382 -2.465 1.00 0.00 C ATOM 118 OD1 ASP A 54 -6.906 4.078 -3.636 1.00 0.00 O ATOM 119 OD2 ASP A 54 -7.432 4.523 -1.537 1.00 0.00 O ATOM 0 H ASP A 54 -2.841 5.069 -1.701 1.00 0.00 H new ATOM 0 HA ASP A 54 -4.655 3.157 -0.842 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -5.120 5.510 -1.404 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -4.727 5.214 -3.087 1.00 0.00 H new ATOM 124 N LYS A 55 -3.750 2.581 -3.956 1.00 0.00 N ATOM 125 CA LYS A 55 -3.732 1.564 -4.996 1.00 0.00 C ATOM 126 C LYS A 55 -2.920 0.349 -4.592 1.00 0.00 C ATOM 127 O LYS A 55 -3.374 -0.778 -4.808 1.00 0.00 O ATOM 128 CB LYS A 55 -3.189 2.180 -6.278 1.00 0.00 C ATOM 129 CG LYS A 55 -4.310 2.961 -6.963 1.00 0.00 C ATOM 130 CD LYS A 55 -3.720 3.703 -8.170 1.00 0.00 C ATOM 131 CE LYS A 55 -4.769 4.039 -9.226 1.00 0.00 C ATOM 132 NZ LYS A 55 -5.325 2.831 -9.873 1.00 0.00 N ATOM 0 H LYS A 55 -3.266 3.441 -4.215 1.00 0.00 H new ATOM 0 HA LYS A 55 -4.751 1.214 -5.157 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -2.351 2.840 -6.054 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -2.812 1.401 -6.941 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -5.101 2.284 -7.285 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -4.759 3.669 -6.266 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -3.246 4.623 -7.829 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -2.939 3.091 -8.621 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -5.578 4.605 -8.764 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -4.323 4.682 -9.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -5.787 3.097 -10.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -4.557 2.157 -10.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -6.022 2.388 -9.241 1.00 0.00 H new ATOM 146 N THR A 56 -1.724 0.539 -4.037 1.00 0.00 N ATOM 147 CA THR A 56 -0.913 -0.589 -3.612 1.00 0.00 C ATOM 148 C THR A 56 -1.699 -1.396 -2.572 1.00 0.00 C ATOM 149 O THR A 56 -1.685 -2.626 -2.637 1.00 0.00 O ATOM 150 CB THR A 56 0.461 -0.107 -3.123 1.00 0.00 C ATOM 151 OG1 THR A 56 1.105 0.547 -4.196 1.00 0.00 O ATOM 152 CG2 THR A 56 1.327 -1.287 -2.660 1.00 0.00 C ATOM 0 H THR A 56 -1.303 1.454 -3.875 1.00 0.00 H new ATOM 0 HA THR A 56 -0.704 -1.258 -4.447 1.00 0.00 H new ATOM 0 HB THR A 56 0.324 0.567 -2.277 1.00 0.00 H new ATOM 0 HG1 THR A 56 0.742 1.452 -4.292 1.00 0.00 H new ATOM 0 HG21 THR A 56 2.294 -0.917 -2.319 1.00 0.00 H new ATOM 0 HG22 THR A 56 0.828 -1.806 -1.841 1.00 0.00 H new ATOM 0 HG23 THR A 56 1.475 -1.978 -3.490 1.00 0.00 H new ATOM 160 N ALA A 57 -2.419 -0.726 -1.659 1.00 0.00 N ATOM 161 CA ALA A 57 -3.196 -1.429 -0.649 1.00 0.00 C ATOM 162 C ALA A 57 -4.269 -2.285 -1.298 1.00 0.00 C ATOM 163 O ALA A 57 -4.467 -3.398 -0.836 1.00 0.00 O ATOM 164 CB ALA A 57 -3.825 -0.479 0.361 1.00 0.00 C ATOM 0 H ALA A 57 -2.474 0.291 -1.606 1.00 0.00 H new ATOM 0 HA ALA A 57 -2.503 -2.072 -0.107 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -4.394 -1.051 1.093 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -3.041 0.083 0.869 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -4.491 0.213 -0.156 1.00 0.00 H new ATOM 170 N SER A 58 -4.928 -1.805 -2.353 1.00 0.00 N ATOM 171 CA SER A 58 -5.958 -2.550 -3.058 1.00 0.00 C ATOM 172 C SER A 58 -5.391 -3.893 -3.530 1.00 0.00 C ATOM 173 O SER A 58 -5.926 -4.942 -3.184 1.00 0.00 O ATOM 174 CB SER A 58 -6.487 -1.714 -4.235 1.00 0.00 C ATOM 175 OG SER A 58 -7.443 -2.439 -4.986 1.00 0.00 O ATOM 0 H SER A 58 -4.756 -0.878 -2.742 1.00 0.00 H new ATOM 0 HA SER A 58 -6.794 -2.754 -2.389 1.00 0.00 H new ATOM 0 HB2 SER A 58 -6.936 -0.795 -3.859 1.00 0.00 H new ATOM 0 HB3 SER A 58 -5.658 -1.423 -4.880 1.00 0.00 H new ATOM 0 HG SER A 58 -7.765 -1.885 -5.727 1.00 0.00 H new ATOM 181 N PHE A 59 -4.279 -3.906 -4.269 1.00 0.00 N ATOM 182 CA PHE A 59 -3.746 -5.179 -4.748 1.00 0.00 C ATOM 183 C PHE A 59 -3.299 -6.100 -3.612 1.00 0.00 C ATOM 184 O PHE A 59 -3.493 -7.316 -3.692 1.00 0.00 O ATOM 185 CB PHE A 59 -2.631 -4.959 -5.764 1.00 0.00 C ATOM 186 CG PHE A 59 -2.497 -6.110 -6.738 1.00 0.00 C ATOM 187 CD1 PHE A 59 -3.577 -6.441 -7.581 1.00 0.00 C ATOM 188 CD2 PHE A 59 -1.315 -6.872 -6.787 1.00 0.00 C ATOM 189 CE1 PHE A 59 -3.477 -7.526 -8.464 1.00 0.00 C ATOM 190 CE2 PHE A 59 -1.205 -7.940 -7.694 1.00 0.00 C ATOM 191 CZ PHE A 59 -2.285 -8.264 -8.535 1.00 0.00 C ATOM 0 H PHE A 59 -3.747 -3.079 -4.540 1.00 0.00 H new ATOM 0 HA PHE A 59 -4.565 -5.693 -5.251 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -2.825 -4.040 -6.317 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -1.687 -4.821 -5.238 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -4.485 -5.857 -7.547 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -0.493 -6.636 -6.128 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -4.316 -7.794 -9.089 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -0.291 -8.512 -7.745 1.00 0.00 H new ATOM 0 HZ PHE A 59 -2.197 -9.081 -9.236 1.00 0.00 H new ATOM 201 N VAL A 60 -2.702 -5.541 -2.559 1.00 0.00 N ATOM 202 CA VAL A 60 -2.256 -6.311 -1.403 1.00 0.00 C ATOM 203 C VAL A 60 -3.499 -6.868 -0.689 1.00 0.00 C ATOM 204 O VAL A 60 -3.477 -7.984 -0.191 1.00 0.00 O ATOM 205 CB VAL A 60 -1.386 -5.400 -0.516 1.00 0.00 C ATOM 206 CG1 VAL A 60 -1.059 -6.018 0.845 1.00 0.00 C ATOM 207 CG2 VAL A 60 -0.056 -5.105 -1.232 1.00 0.00 C ATOM 0 H VAL A 60 -2.515 -4.541 -2.486 1.00 0.00 H new ATOM 0 HA VAL A 60 -1.637 -7.164 -1.682 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.965 -4.493 -0.345 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.444 -5.326 1.420 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.984 -6.217 1.386 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.515 -6.952 0.700 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.560 -4.460 -0.605 1.00 0.00 H new ATOM 0 HG22 VAL A 60 0.472 -6.040 -1.419 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.256 -4.605 -2.180 1.00 0.00 H new ATOM 217 N ALA A 61 -4.607 -6.131 -0.656 1.00 0.00 N ATOM 218 CA ALA A 61 -5.855 -6.544 -0.041 1.00 0.00 C ATOM 219 C ALA A 61 -6.483 -7.682 -0.844 1.00 0.00 C ATOM 220 O ALA A 61 -7.130 -8.571 -0.289 1.00 0.00 O ATOM 221 CB ALA A 61 -6.791 -5.325 0.002 1.00 0.00 C ATOM 0 H ALA A 61 -4.657 -5.201 -1.071 1.00 0.00 H new ATOM 0 HA ALA A 61 -5.679 -6.909 0.971 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -7.738 -5.609 0.461 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -6.328 -4.531 0.588 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -6.972 -4.969 -1.012 1.00 0.00 H new ATOM 227 N ARG A 62 -6.275 -7.673 -2.159 1.00 0.00 N ATOM 228 CA ARG A 62 -6.809 -8.683 -3.049 1.00 0.00 C ATOM 229 C ARG A 62 -6.044 -9.985 -2.925 1.00 0.00 C ATOM 230 O ARG A 62 -6.637 -11.039 -2.695 1.00 0.00 O ATOM 231 CB ARG A 62 -6.794 -8.157 -4.488 1.00 0.00 C ATOM 232 CG ARG A 62 -7.904 -7.119 -4.589 1.00 0.00 C ATOM 233 CD ARG A 62 -8.013 -6.492 -5.974 1.00 0.00 C ATOM 234 NE ARG A 62 -8.818 -5.254 -5.968 1.00 0.00 N ATOM 235 CZ ARG A 62 -10.052 -5.063 -5.483 1.00 0.00 C ATOM 236 NH1 ARG A 62 -10.810 -6.081 -5.096 1.00 0.00 N ATOM 237 NH2 ARG A 62 -10.529 -3.830 -5.384 1.00 0.00 N ATOM 0 H ARG A 62 -5.726 -6.956 -2.633 1.00 0.00 H new ATOM 0 HA ARG A 62 -7.840 -8.895 -2.766 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -5.827 -7.714 -4.727 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -6.957 -8.968 -5.198 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -8.855 -7.587 -4.333 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -7.727 -6.334 -3.854 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -7.014 -6.271 -6.350 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -8.460 -7.210 -6.661 1.00 0.00 H new ATOM 0 HE ARG A 62 -8.376 -4.437 -6.389 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -10.456 -7.035 -5.164 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -11.746 -5.909 -4.730 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -9.958 -3.037 -5.676 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -11.467 -3.674 -5.016 1.00 0.00 H new ATOM 251 N ASN A 63 -4.732 -9.914 -3.084 1.00 0.00 N ATOM 252 CA ASN A 63 -3.882 -11.097 -3.028 1.00 0.00 C ATOM 253 C ASN A 63 -3.601 -11.579 -1.609 1.00 0.00 C ATOM 254 O ASN A 63 -3.717 -12.772 -1.339 1.00 0.00 O ATOM 255 CB ASN A 63 -2.562 -10.832 -3.750 1.00 0.00 C ATOM 256 CG ASN A 63 -2.742 -10.610 -5.243 1.00 0.00 C ATOM 257 OD1 ASN A 63 -2.534 -11.514 -6.047 1.00 0.00 O ATOM 258 ND2 ASN A 63 -3.166 -9.421 -5.645 1.00 0.00 N ATOM 0 H ASN A 63 -4.228 -9.044 -3.254 1.00 0.00 H new ATOM 0 HA ASN A 63 -4.435 -11.892 -3.527 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -2.083 -9.956 -3.312 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -1.890 -11.676 -3.591 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -3.325 -9.245 -6.637 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -3.334 -8.682 -4.962 1.00 0.00 H new ATOM 265 N GLY A 64 -3.273 -10.684 -0.681 1.00 0.00 N ATOM 266 CA GLY A 64 -2.972 -11.006 0.705 1.00 0.00 C ATOM 267 C GLY A 64 -1.798 -10.185 1.242 1.00 0.00 C ATOM 268 O GLY A 64 -1.064 -9.560 0.468 1.00 0.00 O ATOM 0 H GLY A 64 -3.208 -9.686 -0.882 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.854 -10.823 1.319 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -2.740 -12.068 0.788 1.00 0.00 H new ATOM 272 N PRO A 65 -1.566 -10.221 2.568 1.00 0.00 N ATOM 273 CA PRO A 65 -0.489 -9.477 3.218 1.00 0.00 C ATOM 274 C PRO A 65 0.902 -9.885 2.735 1.00 0.00 C ATOM 275 O PRO A 65 1.836 -9.103 2.880 1.00 0.00 O ATOM 276 CB PRO A 65 -0.681 -9.692 4.721 1.00 0.00 C ATOM 277 CG PRO A 65 -1.499 -10.976 4.819 1.00 0.00 C ATOM 278 CD PRO A 65 -2.360 -10.939 3.557 1.00 0.00 C ATOM 0 HA PRO A 65 -0.544 -8.419 2.963 1.00 0.00 H new ATOM 0 HB2 PRO A 65 0.276 -9.790 5.234 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -1.203 -8.852 5.179 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -0.861 -11.859 4.845 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -2.109 -10.997 5.722 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -2.598 -11.946 3.214 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -3.308 -10.433 3.742 1.00 0.00 H new ATOM 286 N GLU A 66 1.060 -11.059 2.120 1.00 0.00 N ATOM 287 CA GLU A 66 2.352 -11.491 1.600 1.00 0.00 C ATOM 288 C GLU A 66 2.853 -10.502 0.542 1.00 0.00 C ATOM 289 O GLU A 66 4.053 -10.250 0.447 1.00 0.00 O ATOM 290 CB GLU A 66 2.248 -12.907 1.026 1.00 0.00 C ATOM 291 CG GLU A 66 1.160 -13.050 -0.053 1.00 0.00 C ATOM 292 CD GLU A 66 1.180 -14.436 -0.676 1.00 0.00 C ATOM 293 OE1 GLU A 66 1.916 -14.626 -1.670 1.00 0.00 O ATOM 294 OE2 GLU A 66 0.446 -15.331 -0.204 1.00 0.00 O ATOM 0 H GLU A 66 0.304 -11.727 1.971 1.00 0.00 H new ATOM 0 HA GLU A 66 3.074 -11.511 2.416 1.00 0.00 H new ATOM 0 HB2 GLU A 66 3.211 -13.190 0.601 1.00 0.00 H new ATOM 0 HB3 GLU A 66 2.040 -13.605 1.837 1.00 0.00 H new ATOM 0 HG2 GLU A 66 0.181 -12.861 0.387 1.00 0.00 H new ATOM 0 HG3 GLU A 66 1.312 -12.298 -0.828 1.00 0.00 H new ATOM 301 N PHE A 67 1.944 -9.910 -0.246 1.00 0.00 N ATOM 302 CA PHE A 67 2.325 -8.949 -1.270 1.00 0.00 C ATOM 303 C PHE A 67 2.889 -7.694 -0.629 1.00 0.00 C ATOM 304 O PHE A 67 3.716 -7.016 -1.231 1.00 0.00 O ATOM 305 CB PHE A 67 1.170 -8.637 -2.221 1.00 0.00 C ATOM 306 CG PHE A 67 1.231 -9.464 -3.481 1.00 0.00 C ATOM 307 CD1 PHE A 67 0.629 -10.730 -3.531 1.00 0.00 C ATOM 308 CD2 PHE A 67 1.925 -8.965 -4.597 1.00 0.00 C ATOM 309 CE1 PHE A 67 0.662 -11.465 -4.730 1.00 0.00 C ATOM 310 CE2 PHE A 67 1.961 -9.700 -5.793 1.00 0.00 C ATOM 311 CZ PHE A 67 1.306 -10.940 -5.866 1.00 0.00 C ATOM 0 H PHE A 67 0.941 -10.086 -0.187 1.00 0.00 H new ATOM 0 HA PHE A 67 3.108 -9.398 -1.881 1.00 0.00 H new ATOM 0 HB2 PHE A 67 0.223 -8.821 -1.713 1.00 0.00 H new ATOM 0 HB3 PHE A 67 1.192 -7.579 -2.481 1.00 0.00 H new ATOM 0 HD1 PHE A 67 0.144 -11.137 -2.656 1.00 0.00 H new ATOM 0 HD2 PHE A 67 2.432 -8.013 -4.534 1.00 0.00 H new ATOM 0 HE1 PHE A 67 0.191 -12.436 -4.779 1.00 0.00 H new ATOM 0 HE2 PHE A 67 2.490 -9.314 -6.652 1.00 0.00 H new ATOM 0 HZ PHE A 67 1.296 -11.491 -6.795 1.00 0.00 H new ATOM 321 N GLU A 68 2.456 -7.375 0.586 1.00 0.00 N ATOM 322 CA GLU A 68 2.941 -6.209 1.289 1.00 0.00 C ATOM 323 C GLU A 68 4.418 -6.376 1.614 1.00 0.00 C ATOM 324 O GLU A 68 5.146 -5.388 1.688 1.00 0.00 O ATOM 325 CB GLU A 68 2.161 -6.071 2.598 1.00 0.00 C ATOM 326 CG GLU A 68 2.299 -4.669 3.184 1.00 0.00 C ATOM 327 CD GLU A 68 1.392 -4.449 4.396 1.00 0.00 C ATOM 328 OE1 GLU A 68 0.438 -5.226 4.618 1.00 0.00 O ATOM 329 OE2 GLU A 68 1.647 -3.478 5.151 1.00 0.00 O ATOM 0 H GLU A 68 1.764 -7.918 1.102 1.00 0.00 H new ATOM 0 HA GLU A 68 2.807 -5.325 0.666 1.00 0.00 H new ATOM 0 HB2 GLU A 68 1.108 -6.291 2.421 1.00 0.00 H new ATOM 0 HB3 GLU A 68 2.523 -6.805 3.318 1.00 0.00 H new ATOM 0 HG2 GLU A 68 3.336 -4.501 3.475 1.00 0.00 H new ATOM 0 HG3 GLU A 68 2.060 -3.933 2.417 1.00 0.00 H new ATOM 336 N ALA A 69 4.852 -7.614 1.857 1.00 0.00 N ATOM 337 CA ALA A 69 6.232 -7.915 2.169 1.00 0.00 C ATOM 338 C ALA A 69 7.036 -8.098 0.883 1.00 0.00 C ATOM 339 O ALA A 69 8.181 -7.655 0.813 1.00 0.00 O ATOM 340 CB ALA A 69 6.298 -9.189 3.005 1.00 0.00 C ATOM 0 H ALA A 69 4.245 -8.434 1.840 1.00 0.00 H new ATOM 0 HA ALA A 69 6.659 -7.086 2.734 1.00 0.00 H new ATOM 0 HB1 ALA A 69 7.338 -9.416 3.240 1.00 0.00 H new ATOM 0 HB2 ALA A 69 5.739 -9.047 3.930 1.00 0.00 H new ATOM 0 HB3 ALA A 69 5.864 -10.016 2.443 1.00 0.00 H new ATOM 346 N ARG A 70 6.454 -8.756 -0.129 1.00 0.00 N ATOM 347 CA ARG A 70 7.093 -8.997 -1.416 1.00 0.00 C ATOM 348 C ARG A 70 7.433 -7.667 -2.065 1.00 0.00 C ATOM 349 O ARG A 70 8.606 -7.362 -2.249 1.00 0.00 O ATOM 350 CB ARG A 70 6.159 -9.795 -2.331 1.00 0.00 C ATOM 351 CG ARG A 70 6.080 -11.282 -1.976 1.00 0.00 C ATOM 352 CD ARG A 70 4.744 -11.841 -2.464 1.00 0.00 C ATOM 353 NE ARG A 70 4.440 -13.249 -2.139 1.00 0.00 N ATOM 354 CZ ARG A 70 5.198 -14.353 -2.167 1.00 0.00 C ATOM 355 NH1 ARG A 70 6.526 -14.332 -2.244 1.00 0.00 N ATOM 356 NH2 ARG A 70 4.555 -15.509 -2.099 1.00 0.00 N ATOM 0 H ARG A 70 5.511 -9.139 -0.068 1.00 0.00 H new ATOM 0 HA ARG A 70 8.005 -9.573 -1.260 1.00 0.00 H new ATOM 0 HB2 ARG A 70 5.159 -9.364 -2.281 1.00 0.00 H new ATOM 0 HB3 ARG A 70 6.499 -9.693 -3.362 1.00 0.00 H new ATOM 0 HG2 ARG A 70 6.906 -11.823 -2.438 1.00 0.00 H new ATOM 0 HG3 ARG A 70 6.173 -11.417 -0.898 1.00 0.00 H new ATOM 0 HD2 ARG A 70 3.948 -11.220 -2.052 1.00 0.00 H new ATOM 0 HD3 ARG A 70 4.707 -11.729 -3.548 1.00 0.00 H new ATOM 0 HE ARG A 70 3.479 -13.410 -1.839 1.00 0.00 H new ATOM 0 HH11 ARG A 70 7.020 -13.441 -2.285 1.00 0.00 H new ATOM 0 HH12 ARG A 70 7.050 -15.207 -2.262 1.00 0.00 H new ATOM 0 HH21 ARG A 70 3.537 -15.523 -2.030 1.00 0.00 H new ATOM 0 HH22 ARG A 70 5.077 -16.385 -2.116 1.00 0.00 H new ATOM 370 N ILE A 71 6.410 -6.868 -2.378 1.00 0.00 N ATOM 371 CA ILE A 71 6.555 -5.572 -3.033 1.00 0.00 C ATOM 372 C ILE A 71 7.573 -4.719 -2.276 1.00 0.00 C ATOM 373 O ILE A 71 8.453 -4.128 -2.902 1.00 0.00 O ATOM 374 CB ILE A 71 5.188 -4.854 -3.161 1.00 0.00 C ATOM 375 CG1 ILE A 71 4.151 -5.660 -3.980 1.00 0.00 C ATOM 376 CG2 ILE A 71 5.366 -3.481 -3.834 1.00 0.00 C ATOM 377 CD1 ILE A 71 2.721 -5.148 -3.745 1.00 0.00 C ATOM 0 H ILE A 71 5.440 -7.111 -2.178 1.00 0.00 H new ATOM 0 HA ILE A 71 6.926 -5.729 -4.046 1.00 0.00 H new ATOM 0 HB ILE A 71 4.811 -4.748 -2.144 1.00 0.00 H new ATOM 0 HG12 ILE A 71 4.392 -5.592 -5.041 1.00 0.00 H new ATOM 0 HG13 ILE A 71 4.210 -6.713 -3.706 1.00 0.00 H new ATOM 0 HG21 ILE A 71 4.397 -2.988 -3.917 1.00 0.00 H new ATOM 0 HG22 ILE A 71 6.036 -2.866 -3.233 1.00 0.00 H new ATOM 0 HG23 ILE A 71 5.791 -3.616 -4.829 1.00 0.00 H new ATOM 0 HD11 ILE A 71 2.021 -5.738 -4.337 1.00 0.00 H new ATOM 0 HD12 ILE A 71 2.471 -5.240 -2.688 1.00 0.00 H new ATOM 0 HD13 ILE A 71 2.656 -4.102 -4.043 1.00 0.00 H new ATOM 389 N ARG A 72 7.451 -4.655 -0.946 1.00 0.00 N ATOM 390 CA ARG A 72 8.343 -3.875 -0.105 1.00 0.00 C ATOM 391 C ARG A 72 9.778 -4.324 -0.268 1.00 0.00 C ATOM 392 O ARG A 72 10.616 -3.506 -0.622 1.00 0.00 O ATOM 393 CB ARG A 72 7.893 -3.964 1.352 1.00 0.00 C ATOM 394 CG ARG A 72 8.667 -3.007 2.262 1.00 0.00 C ATOM 395 CD ARG A 72 8.022 -3.004 3.647 1.00 0.00 C ATOM 396 NE ARG A 72 8.573 -4.024 4.541 1.00 0.00 N ATOM 397 CZ ARG A 72 8.234 -4.145 5.826 1.00 0.00 C ATOM 398 NH1 ARG A 72 7.267 -3.390 6.360 1.00 0.00 N ATOM 399 NH2 ARG A 72 8.878 -5.015 6.589 1.00 0.00 N ATOM 0 H ARG A 72 6.724 -5.148 -0.427 1.00 0.00 H new ATOM 0 HA ARG A 72 8.296 -2.832 -0.418 1.00 0.00 H new ATOM 0 HB2 ARG A 72 6.828 -3.739 1.415 1.00 0.00 H new ATOM 0 HB3 ARG A 72 8.025 -4.986 1.708 1.00 0.00 H new ATOM 0 HG2 ARG A 72 9.710 -3.316 2.333 1.00 0.00 H new ATOM 0 HG3 ARG A 72 8.661 -2.001 1.842 1.00 0.00 H new ATOM 0 HD2 ARG A 72 8.155 -2.022 4.101 1.00 0.00 H new ATOM 0 HD3 ARG A 72 6.949 -3.164 3.542 1.00 0.00 H new ATOM 0 HE ARG A 72 9.255 -4.680 4.160 1.00 0.00 H new ATOM 0 HH11 ARG A 72 6.775 -2.708 5.783 1.00 0.00 H new ATOM 0 HH12 ARG A 72 7.022 -3.497 7.344 1.00 0.00 H new ATOM 0 HH21 ARG A 72 9.626 -5.585 6.193 1.00 0.00 H new ATOM 0 HH22 ARG A 72 8.626 -5.115 7.572 1.00 0.00 H new ATOM 413 N GLN A 73 10.066 -5.602 -0.029 1.00 0.00 N ATOM 414 CA GLN A 73 11.421 -6.103 -0.147 1.00 0.00 C ATOM 415 C GLN A 73 11.967 -5.932 -1.559 1.00 0.00 C ATOM 416 O GLN A 73 13.141 -5.606 -1.720 1.00 0.00 O ATOM 417 CB GLN A 73 11.478 -7.576 0.282 1.00 0.00 C ATOM 418 CG GLN A 73 12.890 -8.018 0.683 1.00 0.00 C ATOM 419 CD GLN A 73 13.408 -7.220 1.875 1.00 0.00 C ATOM 420 OE1 GLN A 73 13.031 -7.472 3.016 1.00 0.00 O ATOM 421 NE2 GLN A 73 14.265 -6.235 1.652 1.00 0.00 N ATOM 0 H GLN A 73 9.377 -6.302 0.246 1.00 0.00 H new ATOM 0 HA GLN A 73 12.054 -5.514 0.517 1.00 0.00 H new ATOM 0 HB2 GLN A 73 10.800 -7.733 1.121 1.00 0.00 H new ATOM 0 HB3 GLN A 73 11.123 -8.203 -0.536 1.00 0.00 H new ATOM 0 HG2 GLN A 73 12.884 -9.080 0.930 1.00 0.00 H new ATOM 0 HG3 GLN A 73 13.566 -7.891 -0.163 1.00 0.00 H new ATOM 0 HE21 GLN A 73 14.573 -6.032 0.701 1.00 0.00 H new ATOM 0 HE22 GLN A 73 14.617 -5.679 2.431 1.00 0.00 H new ATOM 430 N ASN A 74 11.124 -6.126 -2.571 1.00 0.00 N ATOM 431 CA ASN A 74 11.520 -6.012 -3.962 1.00 0.00 C ATOM 432 C ASN A 74 11.905 -4.578 -4.322 1.00 0.00 C ATOM 433 O ASN A 74 12.859 -4.381 -5.076 1.00 0.00 O ATOM 434 CB ASN A 74 10.393 -6.489 -4.897 1.00 0.00 C ATOM 435 CG ASN A 74 10.087 -7.981 -4.775 1.00 0.00 C ATOM 436 OD1 ASN A 74 10.937 -8.786 -4.404 1.00 0.00 O ATOM 437 ND2 ASN A 74 8.866 -8.388 -5.065 1.00 0.00 N ATOM 0 H ASN A 74 10.142 -6.368 -2.442 1.00 0.00 H new ATOM 0 HA ASN A 74 12.393 -6.650 -4.097 1.00 0.00 H new ATOM 0 HB2 ASN A 74 9.488 -5.922 -4.680 1.00 0.00 H new ATOM 0 HB3 ASN A 74 10.669 -6.266 -5.928 1.00 0.00 H new ATOM 0 HD21 ASN A 74 8.624 -9.375 -4.981 1.00 0.00 H new ATOM 0 HD22 ASN A 74 8.164 -7.715 -5.373 1.00 0.00 H new ATOM 444 N GLU A 75 11.206 -3.574 -3.783 1.00 0.00 N ATOM 445 CA GLU A 75 11.441 -2.154 -4.052 1.00 0.00 C ATOM 446 C GLU A 75 11.941 -1.378 -2.835 1.00 0.00 C ATOM 447 O GLU A 75 11.711 -0.176 -2.688 1.00 0.00 O ATOM 448 CB GLU A 75 10.219 -1.529 -4.733 1.00 0.00 C ATOM 449 CG GLU A 75 10.030 -2.053 -6.161 1.00 0.00 C ATOM 450 CD GLU A 75 11.003 -1.379 -7.137 1.00 0.00 C ATOM 451 OE1 GLU A 75 12.212 -1.708 -7.146 1.00 0.00 O ATOM 452 OE2 GLU A 75 10.548 -0.517 -7.919 1.00 0.00 O ATOM 0 H GLU A 75 10.439 -3.733 -3.129 1.00 0.00 H new ATOM 0 HA GLU A 75 12.270 -2.083 -4.756 1.00 0.00 H new ATOM 0 HB2 GLU A 75 9.326 -1.745 -4.146 1.00 0.00 H new ATOM 0 HB3 GLU A 75 10.331 -0.445 -4.756 1.00 0.00 H new ATOM 0 HG2 GLU A 75 10.184 -3.132 -6.178 1.00 0.00 H new ATOM 0 HG3 GLU A 75 9.005 -1.872 -6.484 1.00 0.00 H new ATOM 459 N ILE A 76 12.713 -2.047 -1.986 1.00 0.00 N ATOM 460 CA ILE A 76 13.307 -1.480 -0.777 1.00 0.00 C ATOM 461 C ILE A 76 14.419 -0.460 -1.118 1.00 0.00 C ATOM 462 O ILE A 76 15.054 0.138 -0.244 1.00 0.00 O ATOM 463 CB ILE A 76 13.801 -2.670 0.066 1.00 0.00 C ATOM 464 CG1 ILE A 76 14.002 -2.299 1.542 1.00 0.00 C ATOM 465 CG2 ILE A 76 15.049 -3.323 -0.560 1.00 0.00 C ATOM 466 CD1 ILE A 76 12.681 -2.123 2.297 1.00 0.00 C ATOM 0 H ILE A 76 12.951 -3.029 -2.123 1.00 0.00 H new ATOM 0 HA ILE A 76 12.581 -0.905 -0.203 1.00 0.00 H new ATOM 0 HB ILE A 76 13.012 -3.422 0.056 1.00 0.00 H new ATOM 0 HG12 ILE A 76 14.593 -3.075 2.029 1.00 0.00 H new ATOM 0 HG13 ILE A 76 14.576 -1.375 1.604 1.00 0.00 H new ATOM 0 HG21 ILE A 76 15.372 -4.159 0.060 1.00 0.00 H new ATOM 0 HG22 ILE A 76 14.808 -3.684 -1.560 1.00 0.00 H new ATOM 0 HG23 ILE A 76 15.851 -2.588 -0.623 1.00 0.00 H new ATOM 0 HD11 ILE A 76 12.887 -1.862 3.335 1.00 0.00 H new ATOM 0 HD12 ILE A 76 12.099 -1.328 1.831 1.00 0.00 H new ATOM 0 HD13 ILE A 76 12.116 -3.054 2.263 1.00 0.00 H new ATOM 478 N ASN A 77 14.691 -0.286 -2.410 1.00 0.00 N ATOM 479 CA ASN A 77 15.681 0.611 -2.986 1.00 0.00 C ATOM 480 C ASN A 77 15.034 1.740 -3.794 1.00 0.00 C ATOM 481 O ASN A 77 15.742 2.412 -4.541 1.00 0.00 O ATOM 482 CB ASN A 77 16.703 -0.179 -3.830 1.00 0.00 C ATOM 483 CG ASN A 77 17.658 -0.994 -2.983 1.00 0.00 C ATOM 484 OD1 ASN A 77 17.743 -2.212 -3.127 1.00 0.00 O ATOM 485 ND2 ASN A 77 18.383 -0.352 -2.087 1.00 0.00 N ATOM 0 H ASN A 77 14.188 -0.806 -3.129 1.00 0.00 H new ATOM 0 HA ASN A 77 16.215 1.086 -2.163 1.00 0.00 H new ATOM 0 HB2 ASN A 77 16.170 -0.844 -4.510 1.00 0.00 H new ATOM 0 HB3 ASN A 77 17.273 0.516 -4.446 1.00 0.00 H new ATOM 0 HD21 ASN A 77 19.033 -0.867 -1.493 1.00 0.00 H new ATOM 0 HD22 ASN A 77 18.293 0.659 -1.988 1.00 0.00 H new ATOM 492 N ASN A 78 13.711 1.943 -3.715 1.00 0.00 N ATOM 493 CA ASN A 78 13.041 3.018 -4.446 1.00 0.00 C ATOM 494 C ASN A 78 12.153 3.792 -3.470 1.00 0.00 C ATOM 495 O ASN A 78 11.320 3.179 -2.796 1.00 0.00 O ATOM 496 CB ASN A 78 12.240 2.488 -5.645 1.00 0.00 C ATOM 497 CG ASN A 78 12.391 3.408 -6.850 1.00 0.00 C ATOM 498 OD1 ASN A 78 13.494 3.759 -7.240 1.00 0.00 O ATOM 499 ND2 ASN A 78 11.311 3.857 -7.474 1.00 0.00 N ATOM 0 H ASN A 78 13.085 1.371 -3.148 1.00 0.00 H new ATOM 0 HA ASN A 78 13.793 3.688 -4.863 1.00 0.00 H new ATOM 0 HB2 ASN A 78 12.583 1.486 -5.902 1.00 0.00 H new ATOM 0 HB3 ASN A 78 11.187 2.405 -5.376 1.00 0.00 H new ATOM 0 HD21 ASN A 78 11.407 4.488 -8.270 1.00 0.00 H new ATOM 0 HD22 ASN A 78 10.384 3.572 -7.158 1.00 0.00 H new ATOM 506 N PRO A 79 12.255 5.129 -3.427 1.00 0.00 N ATOM 507 CA PRO A 79 11.491 5.962 -2.508 1.00 0.00 C ATOM 508 C PRO A 79 9.982 5.884 -2.725 1.00 0.00 C ATOM 509 O PRO A 79 9.215 5.987 -1.762 1.00 0.00 O ATOM 510 CB PRO A 79 12.064 7.375 -2.640 1.00 0.00 C ATOM 511 CG PRO A 79 12.756 7.370 -3.999 1.00 0.00 C ATOM 512 CD PRO A 79 13.185 5.929 -4.197 1.00 0.00 C ATOM 0 HA PRO A 79 11.598 5.604 -1.484 1.00 0.00 H new ATOM 0 HB2 PRO A 79 11.279 8.129 -2.595 1.00 0.00 H new ATOM 0 HB3 PRO A 79 12.766 7.597 -1.836 1.00 0.00 H new ATOM 0 HG2 PRO A 79 12.081 7.696 -4.790 1.00 0.00 H new ATOM 0 HG3 PRO A 79 13.612 8.045 -4.012 1.00 0.00 H new ATOM 0 HD2 PRO A 79 13.157 5.654 -5.251 1.00 0.00 H new ATOM 0 HD3 PRO A 79 14.209 5.776 -3.855 1.00 0.00 H new ATOM 520 N LYS A 80 9.543 5.608 -3.958 1.00 0.00 N ATOM 521 CA LYS A 80 8.125 5.494 -4.272 1.00 0.00 C ATOM 522 C LYS A 80 7.429 4.435 -3.432 1.00 0.00 C ATOM 523 O LYS A 80 6.248 4.616 -3.158 1.00 0.00 O ATOM 524 CB LYS A 80 7.901 5.177 -5.759 1.00 0.00 C ATOM 525 CG LYS A 80 7.820 6.456 -6.596 1.00 0.00 C ATOM 526 CD LYS A 80 7.138 6.170 -7.938 1.00 0.00 C ATOM 527 CE LYS A 80 6.872 7.493 -8.650 1.00 0.00 C ATOM 528 NZ LYS A 80 6.370 7.288 -10.020 1.00 0.00 N ATOM 0 H LYS A 80 10.160 5.459 -4.757 1.00 0.00 H new ATOM 0 HA LYS A 80 7.689 6.465 -4.037 1.00 0.00 H new ATOM 0 HB2 LYS A 80 8.715 4.551 -6.126 1.00 0.00 H new ATOM 0 HB3 LYS A 80 6.981 4.605 -5.876 1.00 0.00 H new ATOM 0 HG2 LYS A 80 7.263 7.220 -6.053 1.00 0.00 H new ATOM 0 HG3 LYS A 80 8.821 6.852 -6.766 1.00 0.00 H new ATOM 0 HD2 LYS A 80 7.771 5.531 -8.554 1.00 0.00 H new ATOM 0 HD3 LYS A 80 6.203 5.633 -7.779 1.00 0.00 H new ATOM 0 HE2 LYS A 80 6.146 8.072 -8.080 1.00 0.00 H new ATOM 0 HE3 LYS A 80 7.791 8.078 -8.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 6.202 8.211 -10.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 7.074 6.757 -10.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 5.480 6.751 -9.987 1.00 0.00 H new ATOM 542 N PHE A 81 8.124 3.372 -3.027 1.00 0.00 N ATOM 543 CA PHE A 81 7.585 2.270 -2.236 1.00 0.00 C ATOM 544 C PHE A 81 7.958 2.365 -0.765 1.00 0.00 C ATOM 545 O PHE A 81 7.640 1.450 -0.003 1.00 0.00 O ATOM 546 CB PHE A 81 8.142 0.967 -2.803 1.00 0.00 C ATOM 547 CG PHE A 81 7.659 0.659 -4.205 1.00 0.00 C ATOM 548 CD1 PHE A 81 8.311 1.217 -5.318 1.00 0.00 C ATOM 549 CD2 PHE A 81 6.561 -0.199 -4.402 1.00 0.00 C ATOM 550 CE1 PHE A 81 7.893 0.896 -6.617 1.00 0.00 C ATOM 551 CE2 PHE A 81 6.152 -0.532 -5.704 1.00 0.00 C ATOM 552 CZ PHE A 81 6.819 0.016 -6.811 1.00 0.00 C ATOM 0 H PHE A 81 9.112 3.252 -3.249 1.00 0.00 H new ATOM 0 HA PHE A 81 6.497 2.310 -2.296 1.00 0.00 H new ATOM 0 HB2 PHE A 81 9.231 1.018 -2.806 1.00 0.00 H new ATOM 0 HB3 PHE A 81 7.863 0.145 -2.143 1.00 0.00 H new ATOM 0 HD1 PHE A 81 9.138 1.896 -5.172 1.00 0.00 H new ATOM 0 HD2 PHE A 81 6.032 -0.602 -3.551 1.00 0.00 H new ATOM 0 HE1 PHE A 81 8.399 1.327 -7.469 1.00 0.00 H new ATOM 0 HE2 PHE A 81 5.324 -1.210 -5.853 1.00 0.00 H new ATOM 0 HZ PHE A 81 6.505 -0.240 -7.812 1.00 0.00 H new ATOM 562 N ASN A 82 8.632 3.432 -0.336 1.00 0.00 N ATOM 563 CA ASN A 82 9.027 3.567 1.059 1.00 0.00 C ATOM 564 C ASN A 82 7.819 3.554 1.998 1.00 0.00 C ATOM 565 O ASN A 82 7.986 3.155 3.149 1.00 0.00 O ATOM 566 CB ASN A 82 9.877 4.822 1.278 1.00 0.00 C ATOM 567 CG ASN A 82 11.351 4.653 0.929 1.00 0.00 C ATOM 568 OD1 ASN A 82 11.819 3.591 0.528 1.00 0.00 O ATOM 569 ND2 ASN A 82 12.126 5.709 1.080 1.00 0.00 N ATOM 0 H ASN A 82 8.913 4.210 -0.933 1.00 0.00 H new ATOM 0 HA ASN A 82 9.639 2.698 1.303 1.00 0.00 H new ATOM 0 HB2 ASN A 82 9.465 5.634 0.679 1.00 0.00 H new ATOM 0 HB3 ASN A 82 9.796 5.123 2.322 1.00 0.00 H new ATOM 0 HD21 ASN A 82 13.121 5.647 0.863 1.00 0.00 H new ATOM 0 HD22 ASN A 82 11.731 6.588 1.414 1.00 0.00 H new ATOM 576 N PHE A 83 6.615 3.908 1.522 1.00 0.00 N ATOM 577 CA PHE A 83 5.380 3.932 2.312 1.00 0.00 C ATOM 578 C PHE A 83 5.042 2.571 2.932 1.00 0.00 C ATOM 579 O PHE A 83 4.326 2.504 3.934 1.00 0.00 O ATOM 580 CB PHE A 83 4.203 4.445 1.465 1.00 0.00 C ATOM 581 CG PHE A 83 3.782 3.548 0.308 1.00 0.00 C ATOM 582 CD1 PHE A 83 2.982 2.410 0.534 1.00 0.00 C ATOM 583 CD2 PHE A 83 4.178 3.846 -1.008 1.00 0.00 C ATOM 584 CE1 PHE A 83 2.655 1.554 -0.532 1.00 0.00 C ATOM 585 CE2 PHE A 83 3.896 2.963 -2.056 1.00 0.00 C ATOM 586 CZ PHE A 83 3.150 1.809 -1.819 1.00 0.00 C ATOM 0 H PHE A 83 6.473 4.192 0.553 1.00 0.00 H new ATOM 0 HA PHE A 83 5.553 4.621 3.139 1.00 0.00 H new ATOM 0 HB2 PHE A 83 3.344 4.590 2.120 1.00 0.00 H new ATOM 0 HB3 PHE A 83 4.467 5.424 1.065 1.00 0.00 H new ATOM 0 HD1 PHE A 83 2.619 2.195 1.528 1.00 0.00 H new ATOM 0 HD2 PHE A 83 4.705 4.766 -1.212 1.00 0.00 H new ATOM 0 HE1 PHE A 83 2.021 0.697 -0.359 1.00 0.00 H new ATOM 0 HE2 PHE A 83 4.257 3.176 -3.051 1.00 0.00 H new ATOM 0 HZ PHE A 83 2.954 1.115 -2.623 1.00 0.00 H new ATOM 596 N LEU A 84 5.540 1.481 2.339 1.00 0.00 N ATOM 597 CA LEU A 84 5.308 0.124 2.819 1.00 0.00 C ATOM 598 C LEU A 84 6.076 -0.173 4.110 1.00 0.00 C ATOM 599 O LEU A 84 5.842 -1.193 4.764 1.00 0.00 O ATOM 600 CB LEU A 84 5.734 -0.876 1.734 1.00 0.00 C ATOM 601 CG LEU A 84 4.802 -0.913 0.517 1.00 0.00 C ATOM 602 CD1 LEU A 84 5.423 -1.742 -0.605 1.00 0.00 C ATOM 603 CD2 LEU A 84 3.440 -1.505 0.890 1.00 0.00 C ATOM 0 H LEU A 84 6.122 1.522 1.502 1.00 0.00 H new ATOM 0 HA LEU A 84 4.245 0.027 3.037 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.741 -0.626 1.400 1.00 0.00 H new ATOM 0 HB3 LEU A 84 5.782 -1.873 2.172 1.00 0.00 H new ATOM 0 HG LEU A 84 4.660 0.112 0.174 1.00 0.00 H new ATOM 0 HD11 LEU A 84 4.749 -1.758 -1.461 1.00 0.00 H new ATOM 0 HD12 LEU A 84 6.374 -1.300 -0.900 1.00 0.00 H new ATOM 0 HD13 LEU A 84 5.590 -2.761 -0.255 1.00 0.00 H new ATOM 0 HD21 LEU A 84 2.797 -1.521 0.010 1.00 0.00 H new ATOM 0 HD22 LEU A 84 3.574 -2.522 1.260 1.00 0.00 H new ATOM 0 HD23 LEU A 84 2.978 -0.895 1.666 1.00 0.00 H new ATOM 615 N ASN A 85 7.019 0.690 4.469 1.00 0.00 N ATOM 616 CA ASN A 85 7.852 0.559 5.653 1.00 0.00 C ATOM 617 C ASN A 85 7.376 1.512 6.741 1.00 0.00 C ATOM 618 O ASN A 85 6.902 2.609 6.440 1.00 0.00 O ATOM 619 CB ASN A 85 9.307 0.909 5.327 1.00 0.00 C ATOM 620 CG ASN A 85 9.878 0.083 4.189 1.00 0.00 C ATOM 621 OD1 ASN A 85 10.348 -1.027 4.405 1.00 0.00 O ATOM 622 ND2 ASN A 85 9.800 0.594 2.977 1.00 0.00 N ATOM 0 H ASN A 85 7.230 1.526 3.925 1.00 0.00 H new ATOM 0 HA ASN A 85 7.782 -0.474 5.995 1.00 0.00 H new ATOM 0 HB2 ASN A 85 9.371 1.966 5.068 1.00 0.00 H new ATOM 0 HB3 ASN A 85 9.918 0.761 6.217 1.00 0.00 H new ATOM 0 HD21 ASN A 85 10.138 0.061 2.176 1.00 0.00 H new ATOM 0 HD22 ASN A 85 9.401 1.523 2.840 1.00 0.00 H new ATOM 629 N PRO A 86 7.603 1.172 8.019 1.00 0.00 N ATOM 630 CA PRO A 86 7.203 2.013 9.141 1.00 0.00 C ATOM 631 C PRO A 86 7.976 3.335 9.211 1.00 0.00 C ATOM 632 O PRO A 86 7.605 4.211 9.990 1.00 0.00 O ATOM 633 CB PRO A 86 7.444 1.167 10.391 1.00 0.00 C ATOM 634 CG PRO A 86 8.525 0.187 9.945 1.00 0.00 C ATOM 635 CD PRO A 86 8.159 -0.083 8.495 1.00 0.00 C ATOM 0 HA PRO A 86 6.160 2.311 9.036 1.00 0.00 H new ATOM 0 HB2 PRO A 86 7.775 1.776 11.232 1.00 0.00 H new ATOM 0 HB3 PRO A 86 6.538 0.650 10.709 1.00 0.00 H new ATOM 0 HG2 PRO A 86 9.523 0.616 10.037 1.00 0.00 H new ATOM 0 HG3 PRO A 86 8.514 -0.725 10.541 1.00 0.00 H new ATOM 0 HD2 PRO A 86 9.033 -0.376 7.913 1.00 0.00 H new ATOM 0 HD3 PRO A 86 7.435 -0.894 8.413 1.00 0.00 H new ATOM 643 N ASN A 87 9.058 3.486 8.447 1.00 0.00 N ATOM 644 CA ASN A 87 9.866 4.706 8.412 1.00 0.00 C ATOM 645 C ASN A 87 9.150 5.839 7.653 1.00 0.00 C ATOM 646 O ASN A 87 9.658 6.959 7.631 1.00 0.00 O ATOM 647 CB ASN A 87 11.239 4.429 7.760 1.00 0.00 C ATOM 648 CG ASN A 87 12.229 3.610 8.590 1.00 0.00 C ATOM 649 OD1 ASN A 87 13.386 3.464 8.215 1.00 0.00 O ATOM 650 ND2 ASN A 87 11.835 3.055 9.728 1.00 0.00 N ATOM 0 H ASN A 87 9.403 2.754 7.826 1.00 0.00 H new ATOM 0 HA ASN A 87 10.014 5.027 9.443 1.00 0.00 H new ATOM 0 HB2 ASN A 87 11.071 3.910 6.816 1.00 0.00 H new ATOM 0 HB3 ASN A 87 11.703 5.386 7.519 1.00 0.00 H new ATOM 0 HD21 ASN A 87 12.494 2.511 10.285 1.00 0.00 H new ATOM 0 HD22 ASN A 87 10.873 3.172 10.046 1.00 0.00 H new ATOM 657 N ASP A 88 8.010 5.582 6.997 1.00 0.00 N ATOM 658 CA ASP A 88 7.269 6.607 6.253 1.00 0.00 C ATOM 659 C ASP A 88 6.138 7.176 7.118 1.00 0.00 C ATOM 660 O ASP A 88 5.601 6.476 7.991 1.00 0.00 O ATOM 661 CB ASP A 88 6.755 6.055 4.909 1.00 0.00 C ATOM 662 CG ASP A 88 7.496 6.663 3.715 1.00 0.00 C ATOM 663 OD1 ASP A 88 8.734 6.808 3.794 1.00 0.00 O ATOM 664 OD2 ASP A 88 6.844 7.034 2.710 1.00 0.00 O ATOM 0 H ASP A 88 7.577 4.659 6.968 1.00 0.00 H new ATOM 0 HA ASP A 88 7.946 7.427 6.015 1.00 0.00 H new ATOM 0 HB2 ASP A 88 6.872 4.971 4.894 1.00 0.00 H new ATOM 0 HB3 ASP A 88 5.689 6.262 4.817 1.00 0.00 H new ATOM 669 N PRO A 89 5.733 8.435 6.868 1.00 0.00 N ATOM 670 CA PRO A 89 4.685 9.111 7.624 1.00 0.00 C ATOM 671 C PRO A 89 3.282 8.601 7.310 1.00 0.00 C ATOM 672 O PRO A 89 2.432 8.563 8.195 1.00 0.00 O ATOM 673 CB PRO A 89 4.807 10.591 7.244 1.00 0.00 C ATOM 674 CG PRO A 89 5.532 10.620 5.903 1.00 0.00 C ATOM 675 CD PRO A 89 6.304 9.313 5.856 1.00 0.00 C ATOM 0 HA PRO A 89 4.818 8.927 8.690 1.00 0.00 H new ATOM 0 HB2 PRO A 89 3.825 11.057 7.167 1.00 0.00 H new ATOM 0 HB3 PRO A 89 5.363 11.144 8.001 1.00 0.00 H new ATOM 0 HG2 PRO A 89 4.829 10.695 5.074 1.00 0.00 H new ATOM 0 HG3 PRO A 89 6.201 11.478 5.832 1.00 0.00 H new ATOM 0 HD2 PRO A 89 6.231 8.859 4.868 1.00 0.00 H new ATOM 0 HD3 PRO A 89 7.363 9.485 6.050 1.00 0.00 H new ATOM 683 N TYR A 90 3.047 8.207 6.059 1.00 0.00 N ATOM 684 CA TYR A 90 1.767 7.716 5.568 1.00 0.00 C ATOM 685 C TYR A 90 1.538 6.224 5.792 1.00 0.00 C ATOM 686 O TYR A 90 0.484 5.709 5.415 1.00 0.00 O ATOM 687 CB TYR A 90 1.691 7.989 4.072 1.00 0.00 C ATOM 688 CG TYR A 90 1.592 9.449 3.687 1.00 0.00 C ATOM 689 CD1 TYR A 90 0.334 10.064 3.545 1.00 0.00 C ATOM 690 CD2 TYR A 90 2.753 10.167 3.371 1.00 0.00 C ATOM 691 CE1 TYR A 90 0.225 11.329 2.945 1.00 0.00 C ATOM 692 CE2 TYR A 90 2.658 11.472 2.870 1.00 0.00 C ATOM 693 CZ TYR A 90 1.394 12.045 2.597 1.00 0.00 C ATOM 694 OH TYR A 90 1.318 13.250 1.963 1.00 0.00 O ATOM 0 H TYR A 90 3.769 8.223 5.338 1.00 0.00 H new ATOM 0 HA TYR A 90 0.996 8.239 6.134 1.00 0.00 H new ATOM 0 HB2 TYR A 90 2.574 7.564 3.596 1.00 0.00 H new ATOM 0 HB3 TYR A 90 0.826 7.464 3.667 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -0.553 9.560 3.900 1.00 0.00 H new ATOM 0 HD2 TYR A 90 3.723 9.714 3.514 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -0.749 11.754 2.750 1.00 0.00 H new ATOM 0 HE2 TYR A 90 3.556 12.044 2.691 1.00 0.00 H new ATOM 0 HH TYR A 90 2.222 13.594 1.805 1.00 0.00 H new ATOM 704 N HIS A 91 2.512 5.518 6.362 1.00 0.00 N ATOM 705 CA HIS A 91 2.398 4.090 6.606 1.00 0.00 C ATOM 706 C HIS A 91 1.136 3.763 7.414 1.00 0.00 C ATOM 707 O HIS A 91 0.417 2.831 7.073 1.00 0.00 O ATOM 708 CB HIS A 91 3.661 3.637 7.323 1.00 0.00 C ATOM 709 CG HIS A 91 3.723 2.152 7.560 1.00 0.00 C ATOM 710 ND1 HIS A 91 3.995 1.205 6.602 1.00 0.00 N ATOM 711 CD2 HIS A 91 3.554 1.506 8.755 1.00 0.00 C ATOM 712 CE1 HIS A 91 4.023 0.011 7.218 1.00 0.00 C ATOM 713 NE2 HIS A 91 3.764 0.142 8.531 1.00 0.00 N ATOM 0 H HIS A 91 3.398 5.922 6.665 1.00 0.00 H new ATOM 0 HA HIS A 91 2.300 3.554 5.662 1.00 0.00 H new ATOM 0 HB2 HIS A 91 4.529 3.939 6.737 1.00 0.00 H new ATOM 0 HB3 HIS A 91 3.729 4.152 8.281 1.00 0.00 H new ATOM 0 HD1 HIS A 91 4.147 1.377 5.608 1.00 0.00 H new ATOM 0 HD2 HIS A 91 3.304 1.966 9.699 1.00 0.00 H new ATOM 0 HE1 HIS A 91 4.226 -0.928 6.725 1.00 0.00 H new ATOM 721 N ALA A 92 0.828 4.545 8.452 1.00 0.00 N ATOM 722 CA ALA A 92 -0.349 4.332 9.292 1.00 0.00 C ATOM 723 C ALA A 92 -1.659 4.351 8.487 1.00 0.00 C ATOM 724 O ALA A 92 -2.580 3.606 8.826 1.00 0.00 O ATOM 725 CB ALA A 92 -0.341 5.373 10.414 1.00 0.00 C ATOM 0 H ALA A 92 1.392 5.347 8.733 1.00 0.00 H new ATOM 0 HA ALA A 92 -0.300 3.334 9.727 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -1.214 5.228 11.051 1.00 0.00 H new ATOM 0 HB2 ALA A 92 0.565 5.260 11.009 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -0.369 6.373 9.982 1.00 0.00 H new ATOM 731 N TYR A 93 -1.744 5.197 7.457 1.00 0.00 N ATOM 732 CA TYR A 93 -2.888 5.326 6.560 1.00 0.00 C ATOM 733 C TYR A 93 -2.849 4.131 5.606 1.00 0.00 C ATOM 734 O TYR A 93 -3.887 3.526 5.356 1.00 0.00 O ATOM 735 CB TYR A 93 -2.829 6.683 5.839 1.00 0.00 C ATOM 736 CG TYR A 93 -3.661 6.822 4.577 1.00 0.00 C ATOM 737 CD1 TYR A 93 -5.056 6.980 4.630 1.00 0.00 C ATOM 738 CD2 TYR A 93 -3.015 6.839 3.333 1.00 0.00 C ATOM 739 CE1 TYR A 93 -5.795 7.211 3.455 1.00 0.00 C ATOM 740 CE2 TYR A 93 -3.741 7.043 2.147 1.00 0.00 C ATOM 741 CZ TYR A 93 -5.135 7.268 2.205 1.00 0.00 C ATOM 742 OH TYR A 93 -5.809 7.629 1.075 1.00 0.00 O ATOM 0 H TYR A 93 -0.985 5.835 7.218 1.00 0.00 H new ATOM 0 HA TYR A 93 -3.837 5.312 7.095 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -3.144 7.455 6.541 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -1.789 6.888 5.585 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -5.566 6.924 5.581 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -1.946 6.693 3.285 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -6.865 7.345 3.507 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -3.235 7.028 1.193 1.00 0.00 H new ATOM 0 HH TYR A 93 -6.534 8.246 1.309 1.00 0.00 H new ATOM 752 N TYR A 94 -1.664 3.747 5.109 1.00 0.00 N ATOM 753 CA TYR A 94 -1.533 2.604 4.213 1.00 0.00 C ATOM 754 C TYR A 94 -2.108 1.354 4.891 1.00 0.00 C ATOM 755 O TYR A 94 -2.878 0.610 4.280 1.00 0.00 O ATOM 756 CB TYR A 94 -0.070 2.371 3.771 1.00 0.00 C ATOM 757 CG TYR A 94 0.081 1.112 2.932 1.00 0.00 C ATOM 758 CD1 TYR A 94 -0.086 1.114 1.535 1.00 0.00 C ATOM 759 CD2 TYR A 94 0.279 -0.110 3.588 1.00 0.00 C ATOM 760 CE1 TYR A 94 -0.132 -0.087 0.816 1.00 0.00 C ATOM 761 CE2 TYR A 94 0.241 -1.318 2.877 1.00 0.00 C ATOM 762 CZ TYR A 94 0.017 -1.311 1.490 1.00 0.00 C ATOM 763 OH TYR A 94 -0.058 -2.476 0.803 1.00 0.00 O ATOM 0 H TYR A 94 -0.783 4.218 5.317 1.00 0.00 H new ATOM 0 HA TYR A 94 -2.100 2.818 3.307 1.00 0.00 H new ATOM 0 HB2 TYR A 94 0.276 3.231 3.198 1.00 0.00 H new ATOM 0 HB3 TYR A 94 0.567 2.297 4.652 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -0.180 2.053 1.011 1.00 0.00 H new ATOM 0 HD2 TYR A 94 0.463 -0.122 4.652 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -0.282 -0.072 -0.253 1.00 0.00 H new ATOM 0 HE2 TYR A 94 0.384 -2.254 3.396 1.00 0.00 H new ATOM 0 HH TYR A 94 0.297 -3.204 1.354 1.00 0.00 H new ATOM 773 N ARG A 95 -1.750 1.139 6.163 1.00 0.00 N ATOM 774 CA ARG A 95 -2.215 -0.008 6.957 1.00 0.00 C ATOM 775 C ARG A 95 -3.743 -0.071 6.944 1.00 0.00 C ATOM 776 O ARG A 95 -4.297 -1.148 6.713 1.00 0.00 O ATOM 777 CB ARG A 95 -1.690 0.034 8.409 1.00 0.00 C ATOM 778 CG ARG A 95 -0.168 -0.133 8.599 1.00 0.00 C ATOM 779 CD ARG A 95 0.418 -1.431 8.035 1.00 0.00 C ATOM 780 NE ARG A 95 -0.165 -2.614 8.688 1.00 0.00 N ATOM 781 CZ ARG A 95 -0.692 -3.689 8.099 1.00 0.00 C ATOM 782 NH1 ARG A 95 -0.577 -3.881 6.796 1.00 0.00 N ATOM 783 NH2 ARG A 95 -1.345 -4.565 8.842 1.00 0.00 N ATOM 0 H ARG A 95 -1.124 1.761 6.675 1.00 0.00 H new ATOM 0 HA ARG A 95 -1.811 -0.910 6.496 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -1.986 0.986 8.851 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -2.192 -0.750 8.975 1.00 0.00 H new ATOM 0 HG2 ARG A 95 0.336 0.710 8.127 1.00 0.00 H new ATOM 0 HG3 ARG A 95 0.057 -0.084 9.664 1.00 0.00 H new ATOM 0 HD2 ARG A 95 0.234 -1.479 6.962 1.00 0.00 H new ATOM 0 HD3 ARG A 95 1.499 -1.434 8.173 1.00 0.00 H new ATOM 0 HE ARG A 95 -0.166 -2.612 9.708 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -0.078 -3.201 6.222 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -0.987 -4.709 6.364 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -1.439 -4.413 9.846 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -1.755 -5.394 8.411 1.00 0.00 H new ATOM 797 N HIS A 96 -4.407 1.065 7.170 1.00 0.00 N ATOM 798 CA HIS A 96 -5.858 1.176 7.175 1.00 0.00 C ATOM 799 C HIS A 96 -6.425 0.785 5.824 1.00 0.00 C ATOM 800 O HIS A 96 -7.315 -0.056 5.759 1.00 0.00 O ATOM 801 CB HIS A 96 -6.271 2.617 7.528 1.00 0.00 C ATOM 802 CG HIS A 96 -7.731 2.936 7.299 1.00 0.00 C ATOM 803 ND1 HIS A 96 -8.805 2.362 7.934 1.00 0.00 N ATOM 804 CD2 HIS A 96 -8.229 3.818 6.375 1.00 0.00 C ATOM 805 CE1 HIS A 96 -9.918 2.922 7.442 1.00 0.00 C ATOM 806 NE2 HIS A 96 -9.627 3.810 6.471 1.00 0.00 N ATOM 0 H HIS A 96 -3.936 1.950 7.358 1.00 0.00 H new ATOM 0 HA HIS A 96 -6.259 0.496 7.927 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -6.034 2.801 8.576 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -5.667 3.307 6.939 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -7.645 4.416 5.691 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -10.918 2.692 7.779 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -10.286 4.361 5.921 1.00 0.00 H new ATOM 814 N LYS A 97 -5.915 1.375 4.741 1.00 0.00 N ATOM 815 CA LYS A 97 -6.410 1.083 3.405 1.00 0.00 C ATOM 816 C LYS A 97 -6.427 -0.408 3.114 1.00 0.00 C ATOM 817 O LYS A 97 -7.429 -0.865 2.582 1.00 0.00 O ATOM 818 CB LYS A 97 -5.562 1.797 2.365 1.00 0.00 C ATOM 819 CG LYS A 97 -5.619 3.332 2.392 1.00 0.00 C ATOM 820 CD LYS A 97 -7.040 3.888 2.379 1.00 0.00 C ATOM 821 CE LYS A 97 -7.811 3.348 1.177 1.00 0.00 C ATOM 822 NZ LYS A 97 -9.068 4.079 0.972 1.00 0.00 N ATOM 0 H LYS A 97 -5.158 2.058 4.769 1.00 0.00 H new ATOM 0 HA LYS A 97 -7.438 1.443 3.355 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -4.525 1.489 2.496 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -5.872 1.458 1.377 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -5.105 3.691 3.283 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -5.076 3.723 1.531 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -7.553 3.614 3.301 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -7.011 4.977 2.341 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -7.193 3.426 0.282 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -8.024 2.290 1.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -9.466 3.832 0.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -9.745 3.822 1.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -8.885 5.102 1.009 1.00 0.00 H new ATOM 836 N VAL A 98 -5.370 -1.158 3.430 1.00 0.00 N ATOM 837 CA VAL A 98 -5.328 -2.599 3.173 1.00 0.00 C ATOM 838 C VAL A 98 -6.559 -3.253 3.794 1.00 0.00 C ATOM 839 O VAL A 98 -7.337 -3.904 3.098 1.00 0.00 O ATOM 840 CB VAL A 98 -4.030 -3.191 3.743 1.00 0.00 C ATOM 841 CG1 VAL A 98 -3.992 -4.723 3.612 1.00 0.00 C ATOM 842 CG2 VAL A 98 -2.796 -2.629 3.043 1.00 0.00 C ATOM 0 H VAL A 98 -4.526 -0.788 3.867 1.00 0.00 H new ATOM 0 HA VAL A 98 -5.339 -2.790 2.100 1.00 0.00 H new ATOM 0 HB VAL A 98 -4.017 -2.912 4.797 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -3.058 -5.101 4.027 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -4.832 -5.156 4.156 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -4.060 -5.000 2.560 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -1.899 -3.073 3.475 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -2.842 -2.865 1.980 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -2.765 -1.547 3.173 1.00 0.00 H new ATOM 852 N SER A 99 -6.728 -3.061 5.100 1.00 0.00 N ATOM 853 CA SER A 99 -7.835 -3.595 5.858 1.00 0.00 C ATOM 854 C SER A 99 -9.174 -3.182 5.240 1.00 0.00 C ATOM 855 O SER A 99 -10.064 -4.016 5.111 1.00 0.00 O ATOM 856 CB SER A 99 -7.710 -3.052 7.273 1.00 0.00 C ATOM 857 OG SER A 99 -6.534 -3.504 7.917 1.00 0.00 O ATOM 0 H SER A 99 -6.078 -2.515 5.666 1.00 0.00 H new ATOM 0 HA SER A 99 -7.807 -4.685 5.856 1.00 0.00 H new ATOM 0 HB2 SER A 99 -7.710 -1.962 7.244 1.00 0.00 H new ATOM 0 HB3 SER A 99 -8.580 -3.355 7.855 1.00 0.00 H new ATOM 0 HG SER A 99 -6.492 -3.130 8.822 1.00 0.00 H new ATOM 863 N GLU A 100 -9.313 -1.937 4.799 1.00 0.00 N ATOM 864 CA GLU A 100 -10.521 -1.396 4.200 1.00 0.00 C ATOM 865 C GLU A 100 -10.848 -2.004 2.849 1.00 0.00 C ATOM 866 O GLU A 100 -12.012 -2.353 2.614 1.00 0.00 O ATOM 867 CB GLU A 100 -10.379 0.122 4.102 1.00 0.00 C ATOM 868 CG GLU A 100 -11.338 0.801 5.077 1.00 0.00 C ATOM 869 CD GLU A 100 -11.417 0.176 6.494 1.00 0.00 C ATOM 870 OE1 GLU A 100 -10.390 -0.062 7.166 1.00 0.00 O ATOM 871 OE2 GLU A 100 -12.553 -0.064 6.959 1.00 0.00 O ATOM 0 H GLU A 100 -8.558 -1.254 4.852 1.00 0.00 H new ATOM 0 HA GLU A 100 -11.361 -1.657 4.843 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -9.353 0.415 4.325 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -10.590 0.450 3.084 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -11.044 1.846 5.178 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -12.337 0.791 4.640 1.00 0.00 H new ATOM 878 N PHE A 101 -9.861 -2.122 1.956 1.00 0.00 N ATOM 879 CA PHE A 101 -10.105 -2.728 0.662 1.00 0.00 C ATOM 880 C PHE A 101 -10.489 -4.199 0.871 1.00 0.00 C ATOM 881 O PHE A 101 -11.285 -4.751 0.114 1.00 0.00 O ATOM 882 CB PHE A 101 -8.890 -2.568 -0.260 1.00 0.00 C ATOM 883 CG PHE A 101 -8.837 -1.272 -1.055 1.00 0.00 C ATOM 884 CD1 PHE A 101 -9.431 -1.193 -2.329 1.00 0.00 C ATOM 885 CD2 PHE A 101 -8.107 -0.171 -0.572 1.00 0.00 C ATOM 886 CE1 PHE A 101 -9.257 -0.040 -3.119 1.00 0.00 C ATOM 887 CE2 PHE A 101 -7.916 0.966 -1.371 1.00 0.00 C ATOM 888 CZ PHE A 101 -8.494 1.039 -2.645 1.00 0.00 C ATOM 0 H PHE A 101 -8.903 -1.809 2.110 1.00 0.00 H new ATOM 0 HA PHE A 101 -10.931 -2.221 0.164 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -7.986 -2.641 0.344 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -8.874 -3.404 -0.959 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -10.021 -2.018 -2.701 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -7.690 -0.201 0.424 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -9.714 0.014 -4.096 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -7.321 1.788 -1.002 1.00 0.00 H new ATOM 0 HZ PHE A 101 -8.354 1.918 -3.257 1.00 0.00 H new ATOM 898 N LYS A 102 -9.952 -4.841 1.914 1.00 0.00 N ATOM 899 CA LYS A 102 -10.263 -6.229 2.246 1.00 0.00 C ATOM 900 C LYS A 102 -11.707 -6.307 2.724 1.00 0.00 C ATOM 901 O LYS A 102 -12.400 -7.261 2.383 1.00 0.00 O ATOM 902 CB LYS A 102 -9.323 -6.725 3.345 1.00 0.00 C ATOM 903 CG LYS A 102 -7.979 -7.160 2.775 1.00 0.00 C ATOM 904 CD LYS A 102 -6.906 -7.398 3.838 1.00 0.00 C ATOM 905 CE LYS A 102 -6.608 -8.889 3.998 1.00 0.00 C ATOM 906 NZ LYS A 102 -6.824 -9.373 5.371 1.00 0.00 N ATOM 0 H LYS A 102 -9.286 -4.407 2.553 1.00 0.00 H new ATOM 0 HA LYS A 102 -10.131 -6.857 1.365 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -9.169 -5.934 4.079 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -9.785 -7.561 3.870 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -8.118 -8.076 2.201 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -7.626 -6.398 2.080 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -5.993 -6.870 3.562 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -7.237 -6.986 4.791 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -7.240 -9.456 3.315 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -5.575 -9.081 3.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -6.607 -10.389 5.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -6.202 -8.854 6.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -7.816 -9.218 5.642 1.00 0.00 H new ATOM 920 N GLU A 103 -12.183 -5.322 3.490 1.00 0.00 N ATOM 921 CA GLU A 103 -13.566 -5.326 3.967 1.00 0.00 C ATOM 922 C GLU A 103 -14.532 -5.057 2.807 1.00 0.00 C ATOM 923 O GLU A 103 -15.744 -5.196 2.956 1.00 0.00 O ATOM 924 CB GLU A 103 -13.820 -4.229 5.013 1.00 0.00 C ATOM 925 CG GLU A 103 -12.815 -4.200 6.170 1.00 0.00 C ATOM 926 CD GLU A 103 -13.346 -4.243 7.600 1.00 0.00 C ATOM 927 OE1 GLU A 103 -14.502 -3.836 7.874 1.00 0.00 O ATOM 928 OE2 GLU A 103 -12.561 -4.734 8.447 1.00 0.00 O ATOM 0 H GLU A 103 -11.634 -4.517 3.791 1.00 0.00 H new ATOM 0 HA GLU A 103 -13.731 -6.308 4.410 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -13.806 -3.260 4.514 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -14.821 -4.362 5.423 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -12.139 -5.045 6.042 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -12.217 -3.295 6.066 1.00 0.00 H new ATOM 935 N GLY A 104 -14.001 -4.618 1.667 1.00 0.00 N ATOM 936 CA GLY A 104 -14.744 -4.297 0.469 1.00 0.00 C ATOM 937 C GLY A 104 -15.599 -3.064 0.715 1.00 0.00 C ATOM 938 O GLY A 104 -16.775 -3.063 0.343 1.00 0.00 O ATOM 0 H GLY A 104 -12.997 -4.473 1.558 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -14.058 -4.117 -0.359 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -15.375 -5.139 0.184 1.00 0.00 H new ATOM 942 N LYS A 105 -15.053 -2.037 1.387 1.00 0.00 N ATOM 943 CA LYS A 105 -15.803 -0.813 1.683 1.00 0.00 C ATOM 944 C LYS A 105 -15.159 0.477 1.194 1.00 0.00 C ATOM 945 O LYS A 105 -15.900 1.436 0.973 1.00 0.00 O ATOM 946 CB LYS A 105 -16.136 -0.744 3.184 1.00 0.00 C ATOM 947 CG LYS A 105 -15.003 -0.161 4.040 1.00 0.00 C ATOM 948 CD LYS A 105 -15.405 -0.015 5.507 1.00 0.00 C ATOM 949 CE LYS A 105 -15.113 -1.264 6.339 1.00 0.00 C ATOM 950 NZ LYS A 105 -16.225 -2.237 6.412 1.00 0.00 N ATOM 0 H LYS A 105 -14.094 -2.034 1.734 1.00 0.00 H new ATOM 0 HA LYS A 105 -16.723 -0.886 1.104 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -17.032 -0.138 3.321 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -16.371 -1.746 3.542 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -14.127 -0.805 3.967 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -14.716 0.813 3.645 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -14.875 0.834 5.939 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -16.470 0.211 5.564 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -14.239 -1.764 5.923 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -14.852 -0.956 7.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -15.970 -3.007 7.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -17.081 -1.760 6.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -16.406 -2.629 5.466 1.00 0.00 H new ATOM 964 N ALA A 106 -13.828 0.556 1.074 1.00 0.00 N ATOM 965 CA ALA A 106 -13.204 1.794 0.621 1.00 0.00 C ATOM 966 C ALA A 106 -13.648 2.186 -0.785 1.00 0.00 C ATOM 967 O ALA A 106 -14.050 1.358 -1.602 1.00 0.00 O ATOM 968 CB ALA A 106 -11.679 1.715 0.663 1.00 0.00 C ATOM 0 H ALA A 106 -13.180 -0.205 1.280 1.00 0.00 H new ATOM 0 HA ALA A 106 -13.538 2.563 1.318 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -11.256 2.658 0.317 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -11.353 1.524 1.685 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -11.339 0.906 0.016 1.00 0.00 H new ATOM 974 N GLN A 107 -13.536 3.482 -1.045 1.00 0.00 N ATOM 975 CA GLN A 107 -13.880 4.104 -2.314 1.00 0.00 C ATOM 976 C GLN A 107 -12.599 4.130 -3.145 1.00 0.00 C ATOM 977 O GLN A 107 -11.737 4.985 -2.914 1.00 0.00 O ATOM 978 CB GLN A 107 -14.414 5.525 -2.100 1.00 0.00 C ATOM 979 CG GLN A 107 -15.604 5.644 -1.140 1.00 0.00 C ATOM 980 CD GLN A 107 -15.990 7.113 -0.938 1.00 0.00 C ATOM 981 OE1 GLN A 107 -15.380 8.019 -1.505 1.00 0.00 O ATOM 982 NE2 GLN A 107 -16.978 7.398 -0.110 1.00 0.00 N ATOM 0 H GLN A 107 -13.192 4.150 -0.355 1.00 0.00 H new ATOM 0 HA GLN A 107 -14.667 3.545 -2.820 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -13.602 6.147 -1.724 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -14.707 5.934 -3.067 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -16.455 5.090 -1.537 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -15.350 5.194 -0.180 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -17.483 6.646 0.359 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -17.236 8.370 0.060 1.00 0.00 H new ATOM 991 N GLU A 108 -12.434 3.159 -4.032 1.00 0.00 N ATOM 992 CA GLU A 108 -11.279 3.028 -4.913 1.00 0.00 C ATOM 993 C GLU A 108 -11.257 4.163 -5.964 1.00 0.00 C ATOM 994 O GLU A 108 -12.290 4.808 -6.176 1.00 0.00 O ATOM 995 CB GLU A 108 -11.352 1.626 -5.547 1.00 0.00 C ATOM 996 CG GLU A 108 -12.363 1.534 -6.699 1.00 0.00 C ATOM 997 CD GLU A 108 -12.746 0.102 -7.063 1.00 0.00 C ATOM 998 OE1 GLU A 108 -11.995 -0.855 -6.757 1.00 0.00 O ATOM 999 OE2 GLU A 108 -13.851 -0.081 -7.623 1.00 0.00 O ATOM 0 H GLU A 108 -13.121 2.417 -4.164 1.00 0.00 H new ATOM 0 HA GLU A 108 -10.344 3.126 -4.361 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -10.364 1.350 -5.916 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -11.620 0.901 -4.779 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -13.264 2.084 -6.426 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -11.945 2.024 -7.578 1.00 0.00 H new ATOM 1006 N PRO A 109 -10.122 4.424 -6.635 1.00 0.00 N ATOM 1007 CA PRO A 109 -9.993 5.458 -7.660 1.00 0.00 C ATOM 1008 C PRO A 109 -10.556 4.964 -9.005 1.00 0.00 C ATOM 1009 O PRO A 109 -11.249 3.948 -9.070 1.00 0.00 O ATOM 1010 CB PRO A 109 -8.490 5.741 -7.723 1.00 0.00 C ATOM 1011 CG PRO A 109 -7.872 4.377 -7.430 1.00 0.00 C ATOM 1012 CD PRO A 109 -8.852 3.737 -6.454 1.00 0.00 C ATOM 0 HA PRO A 109 -10.558 6.361 -7.431 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -8.191 6.118 -8.701 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -8.189 6.487 -6.988 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -7.765 3.783 -8.337 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -6.878 4.473 -6.993 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -8.956 2.670 -6.652 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -8.499 3.838 -5.428 1.00 0.00 H new ATOM 1020 N SER A 110 -10.345 5.724 -10.081 1.00 0.00 N ATOM 1021 CA SER A 110 -10.788 5.390 -11.425 1.00 0.00 C ATOM 1022 C SER A 110 -9.860 6.102 -12.406 1.00 0.00 C ATOM 1023 O SER A 110 -10.325 6.442 -13.518 1.00 0.00 O ATOM 1024 CB SER A 110 -12.268 5.764 -11.599 1.00 0.00 C ATOM 1025 OG SER A 110 -12.690 5.351 -12.883 1.00 0.00 O ATOM 0 H SER A 110 -9.847 6.613 -10.034 1.00 0.00 H new ATOM 0 HA SER A 110 -10.730 4.319 -11.617 1.00 0.00 H new ATOM 0 HB2 SER A 110 -12.872 5.284 -10.830 1.00 0.00 H new ATOM 0 HB3 SER A 110 -12.402 6.840 -11.485 1.00 0.00 H new ATOM 0 HG SER A 110 -12.031 5.634 -13.551 1.00 0.00 H new TER 1031 SER A 110