USER MOD reduce.3.24.130724 H: found=0, std=0, add=744, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 754 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 121 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 122 ASN : amide:sc= 0.52 K(o=0.52,f=-3.6!) USER MOD Set 2.1: A 82 MET CE :methyl -174:sc= -1.38 (180deg=-2.01) USER MOD Set 2.2: A 96 MET CE :methyl -159:sc= -0.772 (180deg=-2.19) USER MOD Set 3.1: A 75 ASN : amide:sc= -0.394 K(o=0.39,f=-4.9!) USER MOD Set 3.2: A 78 SER OG : rot -156:sc= 0.786 USER MOD Set 4.1: A 52 ASN : amide:sc= 1.01 K(o=4.1,f=3) USER MOD Set 4.2: A 63 CYS SG : rot 82:sc= 1.7 USER MOD Set 4.3: A 90 CYS SG : rot -96:sc= 1.36 USER MOD Set 5.1: A 32 THR OG1 : rot 120:sc= 0.116 USER MOD Set 5.2: A 50 THR OG1 : rot 180:sc= 0.117 USER MOD Single : A 26 GLN : amide:sc= -0.343! X(o=-0.34!,f=-0.13) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 1.06 K(o=1.1,f=-6.3!) USER MOD Single : A 41 ASN : amide:sc= -0.647 K(o=-0.65,f=0) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 MET CE :methyl -160:sc= -0.482 (180deg=-1.24) USER MOD Single : A 46 THR OG1 : rot -111:sc= 0.154 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.131 USER MOD Single : A 56 SER OG : rot 60:sc= 1.24 USER MOD Single : A 58 GLN : amide:sc= -0.644 K(o=-0.64,f=-4.1!) USER MOD Single : A 65 THR OG1 : rot 110:sc= 0.736 USER MOD Single : A 68 GLN : amide:sc= -1.3 X(o=-1.3,f=-1.6!) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl 164:sc= -0.0308 (180deg=-0.399) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 ASN : amide:sc= -0.506 K(o=-0.51,f=0.032) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc=-0.00873 X(o=-0.0087,f=0) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 HIS : no HD1:sc= -2.78 K(o=-2.8,f=-0.53) USER MOD Single : A 108 GLN : amide:sc= -0.04 X(o=-0.04,f=-0.21) USER MOD Single : A 109 GLN : amide:sc= 0.874 K(o=0.87,f=-0.0021) USER MOD Single : A 112 ASN : amide:sc= 0.637 K(o=0.64,f=-4.4!) USER MOD Single : A 114 THR OG1 : rot 180:sc= -0.0871 USER MOD Single : A 117 GLN : amide:sc= -0.115 X(o=-0.11,f=-0.11) USER MOD Single : A 120 MET CE :methyl 173:sc= -0.015 (180deg=-0.0501) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 25 -6.099 -12.288 -13.284 1.00 0.00 N ATOM 2 CA GLY A 25 -6.797 -13.534 -12.962 1.00 0.00 C ATOM 3 C GLY A 25 -6.871 -13.668 -11.457 1.00 0.00 C ATOM 4 O GLY A 25 -5.846 -13.632 -10.788 1.00 0.00 O ATOM 0 HA2 GLY A 25 -7.799 -13.529 -13.391 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -6.270 -14.385 -13.393 1.00 0.00 H new ATOM 8 N GLN A 26 -8.078 -13.784 -10.910 1.00 0.00 N ATOM 9 CA GLN A 26 -8.303 -13.840 -9.476 1.00 0.00 C ATOM 10 C GLN A 26 -7.815 -15.178 -8.936 1.00 0.00 C ATOM 11 O GLN A 26 -8.304 -16.226 -9.366 1.00 0.00 O ATOM 12 CB GLN A 26 -9.802 -13.670 -9.184 1.00 0.00 C ATOM 13 CG GLN A 26 -10.144 -12.441 -8.339 1.00 0.00 C ATOM 14 CD GLN A 26 -10.037 -12.787 -6.857 1.00 0.00 C ATOM 15 OE1 GLN A 26 -11.052 -12.961 -6.190 1.00 0.00 O ATOM 16 NE2 GLN A 26 -8.849 -12.962 -6.299 1.00 0.00 N ATOM 0 H GLN A 26 -8.935 -13.842 -11.460 1.00 0.00 H new ATOM 0 HA GLN A 26 -7.752 -13.036 -8.988 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -10.340 -13.607 -10.130 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -10.164 -14.561 -8.671 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -9.466 -11.622 -8.581 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -11.153 -12.099 -8.570 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -8.002 -12.819 -6.848 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -8.781 -13.240 -5.320 1.00 0.00 H new ATOM 25 N GLU A 27 -6.904 -15.161 -7.963 1.00 0.00 N ATOM 26 CA GLU A 27 -6.336 -16.386 -7.420 1.00 0.00 C ATOM 27 C GLU A 27 -5.989 -16.319 -5.921 1.00 0.00 C ATOM 28 O GLU A 27 -5.282 -17.186 -5.410 1.00 0.00 O ATOM 29 CB GLU A 27 -5.198 -16.876 -8.330 1.00 0.00 C ATOM 30 CG GLU A 27 -4.105 -15.842 -8.640 1.00 0.00 C ATOM 31 CD GLU A 27 -3.094 -16.462 -9.612 1.00 0.00 C ATOM 32 OE1 GLU A 27 -3.487 -16.790 -10.762 1.00 0.00 O ATOM 33 OE2 GLU A 27 -1.952 -16.809 -9.219 1.00 0.00 O ATOM 0 H GLU A 27 -6.545 -14.307 -7.536 1.00 0.00 H new ATOM 0 HA GLU A 27 -7.113 -17.151 -7.431 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -4.731 -17.743 -7.863 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -5.630 -17.215 -9.272 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -4.547 -14.946 -9.077 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -3.605 -15.535 -7.721 1.00 0.00 H new ATOM 41 N LEU A 28 -6.569 -15.357 -5.198 1.00 0.00 N ATOM 42 CA LEU A 28 -6.680 -15.348 -3.737 1.00 0.00 C ATOM 43 C LEU A 28 -8.019 -14.701 -3.347 1.00 0.00 C ATOM 44 O LEU A 28 -8.229 -13.540 -3.702 1.00 0.00 O ATOM 45 CB LEU A 28 -5.532 -14.548 -3.093 1.00 0.00 C ATOM 46 CG LEU A 28 -4.196 -15.284 -2.894 1.00 0.00 C ATOM 47 CD1 LEU A 28 -3.196 -14.349 -2.199 1.00 0.00 C ATOM 48 CD2 LEU A 28 -4.355 -16.511 -1.994 1.00 0.00 C ATOM 0 H LEU A 28 -6.989 -14.534 -5.629 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.625 -16.376 -3.379 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -5.346 -13.667 -3.708 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -5.871 -14.192 -2.120 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.849 -15.593 -3.880 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.249 -14.870 -2.057 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.035 -13.465 -2.816 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.593 -14.048 -1.230 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.390 -17.004 -1.877 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.724 -16.200 -1.017 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.064 -17.204 -2.446 1.00 0.00 H new ATOM 60 N PRO A 29 -8.926 -15.387 -2.629 1.00 0.00 N ATOM 61 CA PRO A 29 -10.143 -14.772 -2.106 1.00 0.00 C ATOM 62 C PRO A 29 -9.759 -13.784 -0.992 1.00 0.00 C ATOM 63 O PRO A 29 -8.672 -13.939 -0.433 1.00 0.00 O ATOM 64 CB PRO A 29 -10.984 -15.945 -1.602 1.00 0.00 C ATOM 65 CG PRO A 29 -9.944 -16.980 -1.162 1.00 0.00 C ATOM 66 CD PRO A 29 -8.740 -16.712 -2.062 1.00 0.00 C ATOM 0 HA PRO A 29 -10.706 -14.196 -2.841 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -11.628 -15.649 -0.774 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -11.632 -16.338 -2.385 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -9.687 -16.863 -0.109 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -10.316 -17.997 -1.288 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -7.812 -16.762 -1.492 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -8.671 -17.463 -2.849 1.00 0.00 H new ATOM 74 N PRO A 30 -10.593 -12.785 -0.651 1.00 0.00 N ATOM 75 CA PRO A 30 -10.221 -11.687 0.237 1.00 0.00 C ATOM 76 C PRO A 30 -10.043 -12.137 1.705 1.00 0.00 C ATOM 77 O PRO A 30 -10.321 -13.292 2.039 1.00 0.00 O ATOM 78 CB PRO A 30 -11.289 -10.619 0.005 1.00 0.00 C ATOM 79 CG PRO A 30 -12.531 -11.398 -0.425 1.00 0.00 C ATOM 80 CD PRO A 30 -11.972 -12.655 -1.085 1.00 0.00 C ATOM 0 HA PRO A 30 -9.234 -11.282 0.014 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -11.477 -10.044 0.912 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -10.980 -9.911 -0.764 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -13.163 -11.643 0.429 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -13.143 -10.822 -1.119 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -12.551 -13.532 -0.797 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -12.029 -12.578 -2.171 1.00 0.00 H new ATOM 88 N GLY A 31 -9.536 -11.276 2.598 1.00 0.00 N ATOM 89 CA GLY A 31 -9.119 -11.727 3.927 1.00 0.00 C ATOM 90 C GLY A 31 -8.267 -10.691 4.659 1.00 0.00 C ATOM 91 O GLY A 31 -8.529 -9.491 4.554 1.00 0.00 O ATOM 0 H GLY A 31 -9.407 -10.279 2.426 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -10.003 -11.952 4.524 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -8.554 -12.654 3.831 1.00 0.00 H new ATOM 95 N THR A 32 -7.273 -11.139 5.428 1.00 0.00 N ATOM 96 CA THR A 32 -6.202 -10.302 5.972 1.00 0.00 C ATOM 97 C THR A 32 -4.922 -11.142 6.038 1.00 0.00 C ATOM 98 O THR A 32 -5.011 -12.357 6.238 1.00 0.00 O ATOM 99 CB THR A 32 -6.631 -9.697 7.319 1.00 0.00 C ATOM 100 OG1 THR A 32 -5.654 -8.784 7.758 1.00 0.00 O ATOM 101 CG2 THR A 32 -6.861 -10.742 8.412 1.00 0.00 C ATOM 0 H THR A 32 -7.188 -12.119 5.697 1.00 0.00 H new ATOM 0 HA THR A 32 -5.996 -9.447 5.328 1.00 0.00 H new ATOM 0 HB THR A 32 -7.586 -9.201 7.144 1.00 0.00 H new ATOM 0 HG1 THR A 32 -6.055 -7.895 7.850 1.00 0.00 H new ATOM 0 HG21 THR A 32 -7.161 -10.244 9.334 1.00 0.00 H new ATOM 0 HG22 THR A 32 -7.647 -11.429 8.099 1.00 0.00 H new ATOM 0 HG23 THR A 32 -5.939 -11.298 8.583 1.00 0.00 H new ATOM 109 N TYR A 33 -3.747 -10.554 5.790 1.00 0.00 N ATOM 110 CA TYR A 33 -2.478 -11.281 5.757 1.00 0.00 C ATOM 111 C TYR A 33 -1.421 -10.526 6.565 1.00 0.00 C ATOM 112 O TYR A 33 -1.237 -9.323 6.388 1.00 0.00 O ATOM 113 CB TYR A 33 -2.026 -11.589 4.314 1.00 0.00 C ATOM 114 CG TYR A 33 -2.287 -10.549 3.229 1.00 0.00 C ATOM 115 CD1 TYR A 33 -1.742 -9.259 3.295 1.00 0.00 C ATOM 116 CD2 TYR A 33 -3.006 -10.903 2.075 1.00 0.00 C ATOM 117 CE1 TYR A 33 -1.962 -8.341 2.264 1.00 0.00 C ATOM 118 CE2 TYR A 33 -3.273 -9.958 1.064 1.00 0.00 C ATOM 119 CZ TYR A 33 -2.755 -8.658 1.161 1.00 0.00 C ATOM 120 OH TYR A 33 -2.931 -7.708 0.206 1.00 0.00 O ATOM 0 H TYR A 33 -3.651 -9.555 5.606 1.00 0.00 H new ATOM 0 HA TYR A 33 -2.621 -12.253 6.229 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -0.953 -11.781 4.337 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -2.509 -12.516 4.007 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -1.147 -8.972 4.150 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -3.360 -11.917 1.961 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -1.507 -7.363 2.323 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -3.878 -10.235 0.213 1.00 0.00 H new ATOM 0 HH TYR A 33 -3.504 -8.062 -0.506 1.00 0.00 H new ATOM 130 N ARG A 34 -0.734 -11.203 7.487 1.00 0.00 N ATOM 131 CA ARG A 34 0.371 -10.637 8.257 1.00 0.00 C ATOM 132 C ARG A 34 1.617 -10.597 7.379 1.00 0.00 C ATOM 133 O ARG A 34 2.116 -11.664 7.024 1.00 0.00 O ATOM 134 CB ARG A 34 0.579 -11.483 9.522 1.00 0.00 C ATOM 135 CG ARG A 34 1.877 -11.185 10.283 1.00 0.00 C ATOM 136 CD ARG A 34 2.081 -9.716 10.673 1.00 0.00 C ATOM 137 NE ARG A 34 3.446 -9.526 11.173 1.00 0.00 N ATOM 138 CZ ARG A 34 3.907 -9.918 12.364 1.00 0.00 C ATOM 139 NH1 ARG A 34 3.089 -10.376 13.308 1.00 0.00 N ATOM 140 NH2 ARG A 34 5.215 -9.866 12.583 1.00 0.00 N ATOM 0 H ARG A 34 -0.934 -12.175 7.722 1.00 0.00 H new ATOM 0 HA ARG A 34 0.151 -9.616 8.570 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -0.265 -11.323 10.193 1.00 0.00 H new ATOM 0 HB3 ARG A 34 0.570 -12.537 9.244 1.00 0.00 H new ATOM 0 HG2 ARG A 34 1.896 -11.791 11.189 1.00 0.00 H new ATOM 0 HG3 ARG A 34 2.720 -11.502 9.670 1.00 0.00 H new ATOM 0 HD2 ARG A 34 1.906 -9.072 9.811 1.00 0.00 H new ATOM 0 HD3 ARG A 34 1.359 -9.428 11.438 1.00 0.00 H new ATOM 0 HE ARG A 34 4.104 -9.051 10.555 1.00 0.00 H new ATOM 0 HH11 ARG A 34 2.086 -10.434 13.130 1.00 0.00 H new ATOM 0 HH12 ARG A 34 3.465 -10.670 14.210 1.00 0.00 H new ATOM 0 HH21 ARG A 34 5.842 -9.533 11.851 1.00 0.00 H new ATOM 0 HH22 ARG A 34 5.593 -10.159 13.484 1.00 0.00 H new ATOM 154 N VAL A 35 2.118 -9.410 7.034 1.00 0.00 N ATOM 155 CA VAL A 35 3.297 -9.226 6.182 1.00 0.00 C ATOM 156 C VAL A 35 3.992 -7.897 6.496 1.00 0.00 C ATOM 157 O VAL A 35 3.483 -7.092 7.283 1.00 0.00 O ATOM 158 CB VAL A 35 2.881 -9.312 4.693 1.00 0.00 C ATOM 159 CG1 VAL A 35 2.481 -10.722 4.249 1.00 0.00 C ATOM 160 CG2 VAL A 35 1.723 -8.363 4.354 1.00 0.00 C ATOM 0 H VAL A 35 1.707 -8.530 7.345 1.00 0.00 H new ATOM 0 HA VAL A 35 4.014 -10.021 6.385 1.00 0.00 H new ATOM 0 HB VAL A 35 3.779 -9.015 4.151 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.202 -10.706 3.195 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.322 -11.401 4.391 1.00 0.00 H new ATOM 0 HG13 VAL A 35 1.634 -11.064 4.844 1.00 0.00 H new ATOM 0 HG21 VAL A 35 1.469 -8.461 3.299 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.854 -8.617 4.961 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.022 -7.335 4.561 1.00 0.00 H new ATOM 170 N ASP A 36 5.151 -7.669 5.865 1.00 0.00 N ATOM 171 CA ASP A 36 5.953 -6.453 6.011 1.00 0.00 C ATOM 172 C ASP A 36 5.757 -5.632 4.742 1.00 0.00 C ATOM 173 O ASP A 36 5.970 -6.127 3.635 1.00 0.00 O ATOM 174 CB ASP A 36 7.454 -6.699 6.263 1.00 0.00 C ATOM 175 CG ASP A 36 7.815 -8.021 6.931 1.00 0.00 C ATOM 176 OD1 ASP A 36 7.592 -8.187 8.156 1.00 0.00 O ATOM 177 OD2 ASP A 36 8.337 -8.911 6.230 1.00 0.00 O ATOM 0 H ASP A 36 5.565 -8.344 5.223 1.00 0.00 H new ATOM 0 HA ASP A 36 5.608 -5.929 6.903 1.00 0.00 H new ATOM 0 HB2 ASP A 36 7.976 -6.644 5.308 1.00 0.00 H new ATOM 0 HB3 ASP A 36 7.835 -5.887 6.882 1.00 0.00 H new ATOM 183 N ILE A 37 5.288 -4.400 4.892 1.00 0.00 N ATOM 184 CA ILE A 37 4.962 -3.437 3.854 1.00 0.00 C ATOM 185 C ILE A 37 6.287 -2.807 3.405 1.00 0.00 C ATOM 186 O ILE A 37 6.986 -2.192 4.219 1.00 0.00 O ATOM 187 CB ILE A 37 3.920 -2.434 4.415 1.00 0.00 C ATOM 188 CG1 ILE A 37 2.614 -3.144 4.868 1.00 0.00 C ATOM 189 CG2 ILE A 37 3.592 -1.320 3.399 1.00 0.00 C ATOM 190 CD1 ILE A 37 2.599 -3.621 6.326 1.00 0.00 C ATOM 0 H ILE A 37 5.112 -4.019 5.822 1.00 0.00 H new ATOM 0 HA ILE A 37 4.495 -3.880 2.974 1.00 0.00 H new ATOM 0 HB ILE A 37 4.378 -1.975 5.291 1.00 0.00 H new ATOM 0 HG12 ILE A 37 1.778 -2.461 4.718 1.00 0.00 H new ATOM 0 HG13 ILE A 37 2.444 -4.004 4.220 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.859 -0.639 3.830 1.00 0.00 H new ATOM 0 HG22 ILE A 37 4.501 -0.769 3.157 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.184 -1.764 2.491 1.00 0.00 H new ATOM 0 HD11 ILE A 37 1.645 -4.102 6.542 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.409 -4.333 6.484 1.00 0.00 H new ATOM 0 HD13 ILE A 37 2.732 -2.767 6.990 1.00 0.00 H new ATOM 202 N TYR A 38 6.656 -2.997 2.134 1.00 0.00 N ATOM 203 CA TYR A 38 7.969 -2.662 1.580 1.00 0.00 C ATOM 204 C TYR A 38 7.758 -1.646 0.477 1.00 0.00 C ATOM 205 O TYR A 38 7.114 -1.962 -0.511 1.00 0.00 O ATOM 206 CB TYR A 38 8.681 -3.915 1.038 1.00 0.00 C ATOM 207 CG TYR A 38 9.842 -4.356 1.897 1.00 0.00 C ATOM 208 CD1 TYR A 38 9.628 -5.083 3.084 1.00 0.00 C ATOM 209 CD2 TYR A 38 11.146 -4.000 1.517 1.00 0.00 C ATOM 210 CE1 TYR A 38 10.716 -5.400 3.918 1.00 0.00 C ATOM 211 CE2 TYR A 38 12.233 -4.301 2.348 1.00 0.00 C ATOM 212 CZ TYR A 38 12.019 -4.977 3.569 1.00 0.00 C ATOM 213 OH TYR A 38 13.062 -5.199 4.415 1.00 0.00 O ATOM 0 H TYR A 38 6.027 -3.402 1.441 1.00 0.00 H new ATOM 0 HA TYR A 38 8.607 -2.248 2.361 1.00 0.00 H new ATOM 0 HB2 TYR A 38 7.962 -4.731 0.964 1.00 0.00 H new ATOM 0 HB3 TYR A 38 9.040 -3.713 0.029 1.00 0.00 H new ATOM 0 HD1 TYR A 38 8.630 -5.397 3.354 1.00 0.00 H new ATOM 0 HD2 TYR A 38 11.312 -3.491 0.579 1.00 0.00 H new ATOM 0 HE1 TYR A 38 10.556 -5.966 4.824 1.00 0.00 H new ATOM 0 HE2 TYR A 38 13.233 -4.016 2.055 1.00 0.00 H new ATOM 0 HH TYR A 38 13.886 -4.845 4.019 1.00 0.00 H new ATOM 223 N LEU A 39 8.188 -0.401 0.656 1.00 0.00 N ATOM 224 CA LEU A 39 8.027 0.685 -0.295 1.00 0.00 C ATOM 225 C LEU A 39 9.363 0.976 -0.959 1.00 0.00 C ATOM 226 O LEU A 39 10.344 1.241 -0.262 1.00 0.00 O ATOM 227 CB LEU A 39 7.579 1.948 0.446 1.00 0.00 C ATOM 228 CG LEU A 39 7.145 3.031 -0.552 1.00 0.00 C ATOM 229 CD1 LEU A 39 5.717 2.746 -1.018 1.00 0.00 C ATOM 230 CD2 LEU A 39 7.214 4.389 0.120 1.00 0.00 C ATOM 0 H LEU A 39 8.678 -0.113 1.503 1.00 0.00 H new ATOM 0 HA LEU A 39 7.286 0.399 -1.041 1.00 0.00 H new ATOM 0 HB2 LEU A 39 6.753 1.710 1.116 1.00 0.00 H new ATOM 0 HB3 LEU A 39 8.394 2.322 1.066 1.00 0.00 H new ATOM 0 HG LEU A 39 7.809 3.027 -1.416 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.406 3.513 -1.727 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.680 1.769 -1.501 1.00 0.00 H new ATOM 0 HD13 LEU A 39 5.046 2.752 -0.159 1.00 0.00 H new ATOM 0 HD21 LEU A 39 6.906 5.160 -0.586 1.00 0.00 H new ATOM 0 HD22 LEU A 39 6.549 4.402 0.984 1.00 0.00 H new ATOM 0 HD23 LEU A 39 8.236 4.582 0.446 1.00 0.00 H new ATOM 242 N ASN A 40 9.386 1.009 -2.294 1.00 0.00 N ATOM 243 CA ASN A 40 10.537 1.417 -3.110 1.00 0.00 C ATOM 244 C ASN A 40 11.802 0.713 -2.641 1.00 0.00 C ATOM 245 O ASN A 40 12.871 1.315 -2.525 1.00 0.00 O ATOM 246 CB ASN A 40 10.686 2.954 -3.171 1.00 0.00 C ATOM 247 CG ASN A 40 9.458 3.686 -3.694 1.00 0.00 C ATOM 248 OD1 ASN A 40 8.549 3.079 -4.252 1.00 0.00 O ATOM 249 ND2 ASN A 40 9.381 4.990 -3.486 1.00 0.00 N ATOM 0 H ASN A 40 8.578 0.744 -2.857 1.00 0.00 H new ATOM 0 HA ASN A 40 10.358 1.100 -4.137 1.00 0.00 H new ATOM 0 HB2 ASN A 40 10.916 3.324 -2.172 1.00 0.00 H new ATOM 0 HB3 ASN A 40 11.538 3.199 -3.806 1.00 0.00 H new ATOM 0 HD21 ASN A 40 8.556 5.507 -3.791 1.00 0.00 H new ATOM 0 HD22 ASN A 40 10.146 5.478 -3.021 1.00 0.00 H new ATOM 256 N ASN A 41 11.660 -0.586 -2.373 1.00 0.00 N ATOM 257 CA ASN A 41 12.700 -1.500 -1.943 1.00 0.00 C ATOM 258 C ASN A 41 13.127 -1.173 -0.500 1.00 0.00 C ATOM 259 O ASN A 41 14.326 -1.143 -0.196 1.00 0.00 O ATOM 260 CB ASN A 41 13.886 -1.529 -2.936 1.00 0.00 C ATOM 261 CG ASN A 41 13.615 -1.830 -4.412 1.00 0.00 C ATOM 262 OD1 ASN A 41 14.564 -1.950 -5.182 1.00 0.00 O ATOM 263 ND2 ASN A 41 12.387 -1.978 -4.882 1.00 0.00 N ATOM 0 H ASN A 41 10.755 -1.049 -2.458 1.00 0.00 H new ATOM 0 HA ASN A 41 12.298 -2.513 -1.941 1.00 0.00 H new ATOM 0 HB2 ASN A 41 14.381 -0.559 -2.884 1.00 0.00 H new ATOM 0 HB3 ASN A 41 14.598 -2.271 -2.575 1.00 0.00 H new ATOM 0 HD21 ASN A 41 12.241 -2.188 -5.869 1.00 0.00 H new ATOM 0 HD22 ASN A 41 11.587 -1.882 -4.257 1.00 0.00 H new ATOM 270 N GLY A 42 12.183 -0.924 0.421 1.00 0.00 N ATOM 271 CA GLY A 42 12.505 -0.695 1.828 1.00 0.00 C ATOM 272 C GLY A 42 11.304 -0.900 2.736 1.00 0.00 C ATOM 273 O GLY A 42 10.227 -0.416 2.413 1.00 0.00 O ATOM 0 H GLY A 42 11.186 -0.877 0.209 1.00 0.00 H new ATOM 0 HA2 GLY A 42 13.305 -1.371 2.130 1.00 0.00 H new ATOM 0 HA3 GLY A 42 12.882 0.320 1.951 1.00 0.00 H new ATOM 277 N TYR A 43 11.482 -1.583 3.867 1.00 0.00 N ATOM 278 CA TYR A 43 10.461 -1.742 4.901 1.00 0.00 C ATOM 279 C TYR A 43 9.938 -0.366 5.338 1.00 0.00 C ATOM 280 O TYR A 43 10.716 0.587 5.421 1.00 0.00 O ATOM 281 CB TYR A 43 11.104 -2.464 6.094 1.00 0.00 C ATOM 282 CG TYR A 43 10.444 -2.188 7.428 1.00 0.00 C ATOM 283 CD1 TYR A 43 10.868 -1.087 8.197 1.00 0.00 C ATOM 284 CD2 TYR A 43 9.389 -3.002 7.882 1.00 0.00 C ATOM 285 CE1 TYR A 43 10.253 -0.809 9.427 1.00 0.00 C ATOM 286 CE2 TYR A 43 8.796 -2.740 9.125 1.00 0.00 C ATOM 287 CZ TYR A 43 9.238 -1.656 9.908 1.00 0.00 C ATOM 288 OH TYR A 43 8.735 -1.445 11.147 1.00 0.00 O ATOM 0 H TYR A 43 12.359 -2.051 4.094 1.00 0.00 H new ATOM 0 HA TYR A 43 9.621 -2.321 4.518 1.00 0.00 H new ATOM 0 HB2 TYR A 43 11.081 -3.538 5.907 1.00 0.00 H new ATOM 0 HB3 TYR A 43 12.153 -2.173 6.155 1.00 0.00 H new ATOM 0 HD1 TYR A 43 11.668 -0.456 7.839 1.00 0.00 H new ATOM 0 HD2 TYR A 43 9.038 -3.824 7.276 1.00 0.00 H new ATOM 0 HE1 TYR A 43 10.558 0.052 10.003 1.00 0.00 H new ATOM 0 HE2 TYR A 43 7.997 -3.372 9.484 1.00 0.00 H new ATOM 0 HH TYR A 43 8.041 -2.111 11.336 1.00 0.00 H new ATOM 298 N MET A 44 8.650 -0.305 5.691 1.00 0.00 N ATOM 299 CA MET A 44 7.995 0.845 6.313 1.00 0.00 C ATOM 300 C MET A 44 7.209 0.415 7.559 1.00 0.00 C ATOM 301 O MET A 44 7.361 0.996 8.635 1.00 0.00 O ATOM 302 CB MET A 44 7.078 1.522 5.273 1.00 0.00 C ATOM 303 CG MET A 44 7.909 2.085 4.121 1.00 0.00 C ATOM 304 SD MET A 44 9.016 3.420 4.635 1.00 0.00 S ATOM 305 CE MET A 44 9.899 3.625 3.088 1.00 0.00 C ATOM 0 H MET A 44 8.012 -1.087 5.545 1.00 0.00 H new ATOM 0 HA MET A 44 8.747 1.562 6.641 1.00 0.00 H new ATOM 0 HB2 MET A 44 6.355 0.801 4.891 1.00 0.00 H new ATOM 0 HB3 MET A 44 6.509 2.323 5.746 1.00 0.00 H new ATOM 0 HG2 MET A 44 8.498 1.282 3.679 1.00 0.00 H new ATOM 0 HG3 MET A 44 7.240 2.454 3.344 1.00 0.00 H new ATOM 0 HE1 MET A 44 10.845 4.133 3.274 1.00 0.00 H new ATOM 0 HE2 MET A 44 10.093 2.647 2.647 1.00 0.00 H new ATOM 0 HE3 MET A 44 9.296 4.219 2.401 1.00 0.00 H new ATOM 315 N ALA A 45 6.352 -0.599 7.418 1.00 0.00 N ATOM 316 CA ALA A 45 5.402 -1.064 8.422 1.00 0.00 C ATOM 317 C ALA A 45 5.309 -2.580 8.337 1.00 0.00 C ATOM 318 O ALA A 45 5.690 -3.171 7.327 1.00 0.00 O ATOM 319 CB ALA A 45 4.046 -0.398 8.166 1.00 0.00 C ATOM 0 H ALA A 45 6.302 -1.143 6.556 1.00 0.00 H new ATOM 0 HA ALA A 45 5.727 -0.796 9.427 1.00 0.00 H new ATOM 0 HB1 ALA A 45 3.327 -0.738 8.911 1.00 0.00 H new ATOM 0 HB2 ALA A 45 4.154 0.685 8.234 1.00 0.00 H new ATOM 0 HB3 ALA A 45 3.691 -0.666 7.171 1.00 0.00 H new ATOM 325 N THR A 46 4.719 -3.197 9.351 1.00 0.00 N ATOM 326 CA THR A 46 4.446 -4.620 9.420 1.00 0.00 C ATOM 327 C THR A 46 3.139 -4.759 10.168 1.00 0.00 C ATOM 328 O THR A 46 2.983 -4.140 11.221 1.00 0.00 O ATOM 329 CB THR A 46 5.591 -5.328 10.155 1.00 0.00 C ATOM 330 OG1 THR A 46 6.695 -5.383 9.281 1.00 0.00 O ATOM 331 CG2 THR A 46 5.246 -6.758 10.565 1.00 0.00 C ATOM 0 H THR A 46 4.405 -2.695 10.182 1.00 0.00 H new ATOM 0 HA THR A 46 4.371 -5.076 8.433 1.00 0.00 H new ATOM 0 HB THR A 46 5.798 -4.765 11.065 1.00 0.00 H new ATOM 0 HG1 THR A 46 6.857 -6.313 9.016 1.00 0.00 H new ATOM 0 HG21 THR A 46 6.097 -7.204 11.080 1.00 0.00 H new ATOM 0 HG22 THR A 46 4.383 -6.747 11.231 1.00 0.00 H new ATOM 0 HG23 THR A 46 5.012 -7.345 9.677 1.00 0.00 H new ATOM 339 N ARG A 47 2.204 -5.549 9.627 1.00 0.00 N ATOM 340 CA ARG A 47 0.919 -5.829 10.259 1.00 0.00 C ATOM 341 C ARG A 47 0.083 -6.790 9.422 1.00 0.00 C ATOM 342 O ARG A 47 0.483 -7.168 8.320 1.00 0.00 O ATOM 343 CB ARG A 47 0.144 -4.545 10.628 1.00 0.00 C ATOM 344 CG ARG A 47 0.291 -3.342 9.674 1.00 0.00 C ATOM 345 CD ARG A 47 -1.080 -2.791 9.281 1.00 0.00 C ATOM 346 NE ARG A 47 -1.762 -2.253 10.470 1.00 0.00 N ATOM 347 CZ ARG A 47 -3.056 -2.015 10.691 1.00 0.00 C ATOM 348 NH1 ARG A 47 -3.979 -2.228 9.759 1.00 0.00 N ATOM 349 NH2 ARG A 47 -3.421 -1.527 11.863 1.00 0.00 N ATOM 0 H ARG A 47 2.324 -6.015 8.728 1.00 0.00 H new ATOM 0 HA ARG A 47 1.135 -6.328 11.204 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -0.915 -4.796 10.697 1.00 0.00 H new ATOM 0 HB3 ARG A 47 0.462 -4.231 11.622 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.878 -2.560 10.155 1.00 0.00 H new ATOM 0 HG3 ARG A 47 0.836 -3.645 8.780 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -0.966 -2.008 8.531 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -1.683 -3.579 8.830 1.00 0.00 H new ATOM 0 HE ARG A 47 -1.146 -2.026 11.250 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -3.706 -2.584 8.843 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -4.960 -2.036 9.960 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -2.719 -1.339 12.578 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -4.405 -1.338 12.053 1.00 0.00 H new ATOM 363 N ASP A 48 -1.056 -7.211 9.967 1.00 0.00 N ATOM 364 CA ASP A 48 -2.122 -7.919 9.280 1.00 0.00 C ATOM 365 C ASP A 48 -2.824 -6.895 8.400 1.00 0.00 C ATOM 366 O ASP A 48 -3.609 -6.065 8.872 1.00 0.00 O ATOM 367 CB ASP A 48 -3.093 -8.613 10.241 1.00 0.00 C ATOM 368 CG ASP A 48 -2.503 -9.842 10.933 1.00 0.00 C ATOM 369 OD1 ASP A 48 -2.983 -10.956 10.612 1.00 0.00 O ATOM 370 OD2 ASP A 48 -1.617 -9.681 11.808 1.00 0.00 O ATOM 0 H ASP A 48 -1.267 -7.057 10.953 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.708 -8.730 8.681 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.412 -7.898 11.000 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.985 -8.911 9.689 1.00 0.00 H new ATOM 376 N VAL A 49 -2.447 -6.876 7.127 1.00 0.00 N ATOM 377 CA VAL A 49 -2.984 -5.986 6.121 1.00 0.00 C ATOM 378 C VAL A 49 -4.239 -6.660 5.575 1.00 0.00 C ATOM 379 O VAL A 49 -4.171 -7.591 4.775 1.00 0.00 O ATOM 380 CB VAL A 49 -1.929 -5.643 5.045 1.00 0.00 C ATOM 381 CG1 VAL A 49 -2.248 -4.284 4.409 1.00 0.00 C ATOM 382 CG2 VAL A 49 -0.503 -5.544 5.601 1.00 0.00 C ATOM 0 H VAL A 49 -1.733 -7.505 6.760 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.253 -5.015 6.538 1.00 0.00 H new ATOM 0 HB VAL A 49 -1.973 -6.459 4.324 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.499 -4.052 3.652 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -3.233 -4.322 3.944 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -2.239 -3.511 5.178 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.187 -5.301 4.793 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.462 -4.763 6.360 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.219 -6.498 6.046 1.00 0.00 H new ATOM 392 N THR A 50 -5.395 -6.215 6.045 1.00 0.00 N ATOM 393 CA THR A 50 -6.694 -6.587 5.518 1.00 0.00 C ATOM 394 C THR A 50 -6.747 -6.191 4.044 1.00 0.00 C ATOM 395 O THR A 50 -6.430 -5.050 3.728 1.00 0.00 O ATOM 396 CB THR A 50 -7.745 -5.881 6.386 1.00 0.00 C ATOM 397 OG1 THR A 50 -7.515 -6.239 7.737 1.00 0.00 O ATOM 398 CG2 THR A 50 -9.174 -6.257 6.013 1.00 0.00 C ATOM 0 H THR A 50 -5.453 -5.565 6.829 1.00 0.00 H new ATOM 0 HA THR A 50 -6.888 -7.659 5.558 1.00 0.00 H new ATOM 0 HB THR A 50 -7.644 -4.808 6.225 1.00 0.00 H new ATOM 0 HG1 THR A 50 -8.176 -5.797 8.310 1.00 0.00 H new ATOM 0 HG21 THR A 50 -9.871 -5.726 6.661 1.00 0.00 H new ATOM 0 HG22 THR A 50 -9.363 -5.983 4.975 1.00 0.00 H new ATOM 0 HG23 THR A 50 -9.311 -7.331 6.135 1.00 0.00 H new ATOM 406 N PHE A 51 -7.091 -7.101 3.135 1.00 0.00 N ATOM 407 CA PHE A 51 -7.329 -6.860 1.730 1.00 0.00 C ATOM 408 C PHE A 51 -8.773 -7.177 1.333 1.00 0.00 C ATOM 409 O PHE A 51 -9.478 -7.921 2.024 1.00 0.00 O ATOM 410 CB PHE A 51 -6.344 -7.746 0.973 1.00 0.00 C ATOM 411 CG PHE A 51 -6.415 -9.215 1.353 1.00 0.00 C ATOM 412 CD1 PHE A 51 -5.793 -9.698 2.519 1.00 0.00 C ATOM 413 CD2 PHE A 51 -7.042 -10.127 0.499 1.00 0.00 C ATOM 414 CE1 PHE A 51 -5.769 -11.076 2.789 1.00 0.00 C ATOM 415 CE2 PHE A 51 -6.933 -11.504 0.737 1.00 0.00 C ATOM 416 CZ PHE A 51 -6.314 -11.988 1.891 1.00 0.00 C ATOM 0 H PHE A 51 -7.216 -8.082 3.384 1.00 0.00 H new ATOM 0 HA PHE A 51 -7.182 -5.807 1.491 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -6.531 -7.649 -0.096 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -5.332 -7.383 1.154 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -5.332 -9.006 3.209 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -7.612 -9.770 -0.346 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -5.322 -11.432 3.705 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -7.334 -12.201 0.016 1.00 0.00 H new ATOM 0 HZ PHE A 51 -6.259 -13.049 2.083 1.00 0.00 H new ATOM 426 N ASN A 52 -9.195 -6.622 0.195 1.00 0.00 N ATOM 427 CA ASN A 52 -10.533 -6.699 -0.381 1.00 0.00 C ATOM 428 C ASN A 52 -10.418 -7.244 -1.802 1.00 0.00 C ATOM 429 O ASN A 52 -9.321 -7.287 -2.362 1.00 0.00 O ATOM 430 CB ASN A 52 -11.234 -5.320 -0.437 1.00 0.00 C ATOM 431 CG ASN A 52 -10.563 -4.167 0.294 1.00 0.00 C ATOM 432 OD1 ASN A 52 -10.133 -3.192 -0.306 1.00 0.00 O ATOM 433 ND2 ASN A 52 -10.476 -4.203 1.613 1.00 0.00 N ATOM 0 H ASN A 52 -8.565 -6.069 -0.386 1.00 0.00 H new ATOM 0 HA ASN A 52 -11.133 -7.351 0.255 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -11.342 -5.038 -1.484 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -12.240 -5.436 -0.033 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -10.054 -3.423 2.118 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -10.831 -5.010 2.126 1.00 0.00 H new ATOM 440 N THR A 53 -11.552 -7.613 -2.401 1.00 0.00 N ATOM 441 CA THR A 53 -11.672 -7.948 -3.813 1.00 0.00 C ATOM 442 C THR A 53 -11.129 -6.769 -4.633 1.00 0.00 C ATOM 443 O THR A 53 -11.490 -5.616 -4.372 1.00 0.00 O ATOM 444 CB THR A 53 -13.151 -8.246 -4.169 1.00 0.00 C ATOM 445 OG1 THR A 53 -13.969 -8.456 -3.023 1.00 0.00 O ATOM 446 CG2 THR A 53 -13.289 -9.504 -5.021 1.00 0.00 C ATOM 0 H THR A 53 -12.436 -7.688 -1.898 1.00 0.00 H new ATOM 0 HA THR A 53 -11.096 -8.844 -4.042 1.00 0.00 H new ATOM 0 HB THR A 53 -13.480 -7.359 -4.711 1.00 0.00 H new ATOM 0 HG1 THR A 53 -14.889 -8.638 -3.307 1.00 0.00 H new ATOM 0 HG21 THR A 53 -14.341 -9.676 -5.248 1.00 0.00 H new ATOM 0 HG22 THR A 53 -12.734 -9.377 -5.950 1.00 0.00 H new ATOM 0 HG23 THR A 53 -12.891 -10.359 -4.475 1.00 0.00 H new ATOM 454 N GLY A 54 -10.248 -7.029 -5.599 1.00 0.00 N ATOM 455 CA GLY A 54 -9.664 -5.969 -6.398 1.00 0.00 C ATOM 456 C GLY A 54 -8.904 -6.531 -7.568 1.00 0.00 C ATOM 457 O GLY A 54 -9.312 -7.518 -8.181 1.00 0.00 O ATOM 0 H GLY A 54 -9.928 -7.966 -5.842 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -10.450 -5.304 -6.756 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -8.996 -5.369 -5.780 1.00 0.00 H new ATOM 461 N ASP A 55 -7.821 -5.845 -7.904 1.00 0.00 N ATOM 462 CA ASP A 55 -7.096 -6.012 -9.142 1.00 0.00 C ATOM 463 C ASP A 55 -5.632 -5.949 -8.777 1.00 0.00 C ATOM 464 O ASP A 55 -5.167 -4.941 -8.243 1.00 0.00 O ATOM 465 CB ASP A 55 -7.424 -4.909 -10.148 1.00 0.00 C ATOM 466 CG ASP A 55 -8.887 -4.482 -10.136 1.00 0.00 C ATOM 467 OD1 ASP A 55 -9.735 -5.226 -10.686 1.00 0.00 O ATOM 468 OD2 ASP A 55 -9.219 -3.463 -9.494 1.00 0.00 O ATOM 0 H ASP A 55 -7.414 -5.134 -7.297 1.00 0.00 H new ATOM 0 HA ASP A 55 -7.368 -6.956 -9.615 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -6.800 -4.041 -9.938 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -7.164 -5.254 -11.149 1.00 0.00 H new ATOM 474 N SER A 56 -4.932 -7.051 -9.002 1.00 0.00 N ATOM 475 CA SER A 56 -3.496 -7.239 -8.922 1.00 0.00 C ATOM 476 C SER A 56 -3.231 -8.672 -9.412 1.00 0.00 C ATOM 477 O SER A 56 -4.189 -9.361 -9.786 1.00 0.00 O ATOM 478 CB SER A 56 -3.006 -7.043 -7.476 1.00 0.00 C ATOM 479 OG SER A 56 -2.916 -5.666 -7.182 1.00 0.00 O ATOM 0 H SER A 56 -5.402 -7.916 -9.270 1.00 0.00 H new ATOM 0 HA SER A 56 -2.958 -6.512 -9.531 1.00 0.00 H new ATOM 0 HB2 SER A 56 -3.692 -7.528 -6.781 1.00 0.00 H new ATOM 0 HB3 SER A 56 -2.033 -7.516 -7.345 1.00 0.00 H new ATOM 0 HG SER A 56 -3.798 -5.251 -7.285 1.00 0.00 H new ATOM 485 N GLU A 57 -1.984 -9.153 -9.332 1.00 0.00 N ATOM 486 CA GLU A 57 -1.623 -10.544 -9.654 1.00 0.00 C ATOM 487 C GLU A 57 -2.587 -11.530 -9.001 1.00 0.00 C ATOM 488 O GLU A 57 -3.099 -12.430 -9.660 1.00 0.00 O ATOM 489 CB GLU A 57 -0.215 -10.881 -9.138 1.00 0.00 C ATOM 490 CG GLU A 57 0.907 -10.173 -9.884 1.00 0.00 C ATOM 491 CD GLU A 57 0.972 -10.554 -11.352 1.00 0.00 C ATOM 492 OE1 GLU A 57 1.225 -11.738 -11.671 1.00 0.00 O ATOM 493 OE2 GLU A 57 0.808 -9.643 -12.191 1.00 0.00 O ATOM 0 H GLU A 57 -1.189 -8.585 -9.040 1.00 0.00 H new ATOM 0 HA GLU A 57 -1.666 -10.631 -10.740 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -0.155 -10.620 -8.081 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -0.062 -11.958 -9.210 1.00 0.00 H new ATOM 0 HG2 GLU A 57 0.769 -9.095 -9.799 1.00 0.00 H new ATOM 0 HG3 GLU A 57 1.859 -10.411 -9.409 1.00 0.00 H new ATOM 501 N GLN A 58 -2.839 -11.334 -7.705 1.00 0.00 N ATOM 502 CA GLN A 58 -3.599 -12.280 -6.909 1.00 0.00 C ATOM 503 C GLN A 58 -5.113 -11.998 -6.973 1.00 0.00 C ATOM 504 O GLN A 58 -5.915 -12.834 -6.556 1.00 0.00 O ATOM 505 CB GLN A 58 -3.086 -12.303 -5.457 1.00 0.00 C ATOM 506 CG GLN A 58 -1.609 -11.909 -5.200 1.00 0.00 C ATOM 507 CD GLN A 58 -1.476 -10.409 -4.981 1.00 0.00 C ATOM 508 OE1 GLN A 58 -1.162 -9.633 -5.884 1.00 0.00 O ATOM 509 NE2 GLN A 58 -1.786 -9.972 -3.775 1.00 0.00 N ATOM 0 H GLN A 58 -2.520 -10.516 -7.186 1.00 0.00 H new ATOM 0 HA GLN A 58 -3.447 -13.272 -7.336 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -3.717 -11.636 -4.870 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -3.236 -13.309 -5.066 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -1.233 -12.443 -4.327 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -0.995 -12.212 -6.048 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -2.043 -10.634 -3.043 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -1.769 -8.972 -3.575 1.00 0.00 H new ATOM 518 N GLY A 59 -5.546 -10.843 -7.494 1.00 0.00 N ATOM 519 CA GLY A 59 -6.972 -10.544 -7.644 1.00 0.00 C ATOM 520 C GLY A 59 -7.602 -9.754 -6.480 1.00 0.00 C ATOM 521 O GLY A 59 -8.821 -9.758 -6.317 1.00 0.00 O ATOM 0 H GLY A 59 -4.927 -10.101 -7.819 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -7.113 -9.978 -8.565 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -7.514 -11.483 -7.760 1.00 0.00 H new ATOM 525 N ILE A 60 -6.790 -9.133 -5.623 1.00 0.00 N ATOM 526 CA ILE A 60 -7.173 -8.521 -4.342 1.00 0.00 C ATOM 527 C ILE A 60 -6.240 -7.334 -4.090 1.00 0.00 C ATOM 528 O ILE A 60 -5.104 -7.369 -4.575 1.00 0.00 O ATOM 529 CB ILE A 60 -7.039 -9.552 -3.183 1.00 0.00 C ATOM 530 CG1 ILE A 60 -5.827 -10.491 -3.404 1.00 0.00 C ATOM 531 CG2 ILE A 60 -8.313 -10.408 -3.092 1.00 0.00 C ATOM 532 CD1 ILE A 60 -5.428 -11.273 -2.162 1.00 0.00 C ATOM 0 H ILE A 60 -5.792 -9.036 -5.811 1.00 0.00 H new ATOM 0 HA ILE A 60 -8.211 -8.192 -4.383 1.00 0.00 H new ATOM 0 HB ILE A 60 -6.891 -8.993 -2.259 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -6.063 -11.192 -4.205 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -4.976 -9.899 -3.739 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -8.211 -11.127 -2.279 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -9.171 -9.764 -2.902 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -8.461 -10.941 -4.031 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -4.573 -11.909 -2.392 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -5.160 -10.579 -1.365 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -6.264 -11.892 -1.838 1.00 0.00 H new ATOM 544 N VAL A 61 -6.636 -6.352 -3.273 1.00 0.00 N ATOM 545 CA VAL A 61 -5.751 -5.257 -2.850 1.00 0.00 C ATOM 546 C VAL A 61 -5.872 -4.978 -1.340 1.00 0.00 C ATOM 547 O VAL A 61 -6.959 -5.149 -0.785 1.00 0.00 O ATOM 548 CB VAL A 61 -6.007 -3.976 -3.671 1.00 0.00 C ATOM 549 CG1 VAL A 61 -5.659 -4.183 -5.151 1.00 0.00 C ATOM 550 CG2 VAL A 61 -7.443 -3.454 -3.536 1.00 0.00 C ATOM 0 H VAL A 61 -7.578 -6.292 -2.886 1.00 0.00 H new ATOM 0 HA VAL A 61 -4.728 -5.579 -3.044 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.347 -3.217 -3.252 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -5.850 -3.262 -5.702 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -4.606 -4.449 -5.243 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.273 -4.985 -5.560 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -7.560 -2.552 -4.136 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -8.141 -4.215 -3.885 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -7.650 -3.224 -2.491 1.00 0.00 H new ATOM 560 N PRO A 62 -4.789 -4.539 -0.666 1.00 0.00 N ATOM 561 CA PRO A 62 -4.766 -4.192 0.758 1.00 0.00 C ATOM 562 C PRO A 62 -5.505 -2.891 1.075 1.00 0.00 C ATOM 563 O PRO A 62 -5.613 -1.972 0.267 1.00 0.00 O ATOM 564 CB PRO A 62 -3.281 -4.080 1.116 1.00 0.00 C ATOM 565 CG PRO A 62 -2.611 -3.709 -0.199 1.00 0.00 C ATOM 566 CD PRO A 62 -3.459 -4.414 -1.243 1.00 0.00 C ATOM 0 HA PRO A 62 -5.286 -4.950 1.344 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -3.111 -3.320 1.879 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -2.894 -5.020 1.510 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -2.600 -2.630 -0.353 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -1.575 -4.046 -0.230 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -3.489 -3.843 -2.171 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -3.045 -5.393 -1.484 1.00 0.00 H new ATOM 574 N CYS A 63 -5.924 -2.785 2.332 1.00 0.00 N ATOM 575 CA CYS A 63 -6.510 -1.636 2.991 1.00 0.00 C ATOM 576 C CYS A 63 -5.401 -0.713 3.471 1.00 0.00 C ATOM 577 O CYS A 63 -5.141 -0.563 4.667 1.00 0.00 O ATOM 578 CB CYS A 63 -7.350 -2.101 4.192 1.00 0.00 C ATOM 579 SG CYS A 63 -8.888 -2.983 3.897 1.00 0.00 S ATOM 0 H CYS A 63 -5.853 -3.578 2.969 1.00 0.00 H new ATOM 0 HA CYS A 63 -7.152 -1.102 2.290 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -6.717 -2.741 4.807 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -7.586 -1.220 4.788 1.00 0.00 H new ATOM 0 HG CYS A 63 -8.632 -4.236 3.665 1.00 0.00 H new ATOM 585 N LEU A 64 -4.750 -0.079 2.512 1.00 0.00 N ATOM 586 CA LEU A 64 -3.844 1.026 2.759 1.00 0.00 C ATOM 587 C LEU A 64 -4.741 2.238 2.951 1.00 0.00 C ATOM 588 O LEU A 64 -5.623 2.468 2.126 1.00 0.00 O ATOM 589 CB LEU A 64 -2.875 1.250 1.584 1.00 0.00 C ATOM 590 CG LEU A 64 -2.720 0.086 0.584 1.00 0.00 C ATOM 591 CD1 LEU A 64 -3.715 0.245 -0.572 1.00 0.00 C ATOM 592 CD2 LEU A 64 -1.310 0.023 0.015 1.00 0.00 C ATOM 0 H LEU A 64 -4.838 -0.322 1.525 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.214 0.831 3.627 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.206 2.130 1.033 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.891 1.481 1.993 1.00 0.00 H new ATOM 0 HG LEU A 64 -2.920 -0.838 1.126 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.596 -0.583 -1.271 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.732 0.245 -0.179 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.526 1.186 -1.088 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.237 -0.809 -0.686 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.085 0.955 -0.504 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.596 -0.122 0.826 1.00 0.00 H new ATOM 604 N THR A 65 -4.566 3.000 4.020 1.00 0.00 N ATOM 605 CA THR A 65 -5.415 4.144 4.338 1.00 0.00 C ATOM 606 C THR A 65 -4.561 5.404 4.384 1.00 0.00 C ATOM 607 O THR A 65 -3.336 5.319 4.248 1.00 0.00 O ATOM 608 CB THR A 65 -6.163 3.878 5.647 1.00 0.00 C ATOM 609 OG1 THR A 65 -5.241 3.754 6.698 1.00 0.00 O ATOM 610 CG2 THR A 65 -6.944 2.553 5.549 1.00 0.00 C ATOM 0 H THR A 65 -3.823 2.842 4.700 1.00 0.00 H new ATOM 0 HA THR A 65 -6.171 4.294 3.567 1.00 0.00 H new ATOM 0 HB THR A 65 -6.847 4.707 5.829 1.00 0.00 H new ATOM 0 HG1 THR A 65 -5.308 4.535 7.286 1.00 0.00 H new ATOM 0 HG21 THR A 65 -7.473 2.372 6.485 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.663 2.614 4.732 1.00 0.00 H new ATOM 0 HG23 THR A 65 -6.249 1.734 5.361 1.00 0.00 H new ATOM 618 N ARG A 66 -5.163 6.587 4.565 1.00 0.00 N ATOM 619 CA ARG A 66 -4.362 7.804 4.528 1.00 0.00 C ATOM 620 C ARG A 66 -3.242 7.772 5.550 1.00 0.00 C ATOM 621 O ARG A 66 -2.127 8.137 5.194 1.00 0.00 O ATOM 622 CB ARG A 66 -5.208 9.063 4.710 1.00 0.00 C ATOM 623 CG ARG A 66 -4.441 10.250 4.130 1.00 0.00 C ATOM 624 CD ARG A 66 -5.356 11.361 3.637 1.00 0.00 C ATOM 625 NE ARG A 66 -5.451 12.506 4.551 1.00 0.00 N ATOM 626 CZ ARG A 66 -6.150 12.641 5.682 1.00 0.00 C ATOM 627 NH1 ARG A 66 -6.942 11.678 6.141 1.00 0.00 N ATOM 628 NH2 ARG A 66 -6.057 13.784 6.336 1.00 0.00 N ATOM 0 H ARG A 66 -6.160 6.721 4.731 1.00 0.00 H new ATOM 0 HA ARG A 66 -3.918 7.843 3.533 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -6.168 8.950 4.207 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -5.419 9.228 5.767 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -3.770 10.649 4.890 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -3.818 9.906 3.304 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -4.997 11.711 2.669 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -6.354 10.952 3.478 1.00 0.00 H new ATOM 0 HE ARG A 66 -4.900 13.321 4.282 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -7.031 10.802 5.626 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -7.461 11.815 7.008 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -5.465 14.532 5.975 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -6.578 13.920 7.203 1.00 0.00 H new ATOM 642 N ALA A 67 -3.541 7.321 6.769 1.00 0.00 N ATOM 643 CA ALA A 67 -2.517 7.177 7.787 1.00 0.00 C ATOM 644 C ALA A 67 -1.429 6.224 7.306 1.00 0.00 C ATOM 645 O ALA A 67 -0.262 6.586 7.301 1.00 0.00 O ATOM 646 CB ALA A 67 -3.096 6.658 9.100 1.00 0.00 C ATOM 0 H ALA A 67 -4.479 7.053 7.067 1.00 0.00 H new ATOM 0 HA ALA A 67 -2.093 8.165 7.966 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -2.299 6.564 9.837 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -3.849 7.356 9.467 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -3.555 5.683 8.935 1.00 0.00 H new ATOM 652 N GLN A 68 -1.806 5.017 6.877 1.00 0.00 N ATOM 653 CA GLN A 68 -0.864 3.961 6.504 1.00 0.00 C ATOM 654 C GLN A 68 0.111 4.437 5.421 1.00 0.00 C ATOM 655 O GLN A 68 1.267 4.016 5.380 1.00 0.00 O ATOM 656 CB GLN A 68 -1.646 2.752 5.970 1.00 0.00 C ATOM 657 CG GLN A 68 -2.670 2.166 6.948 1.00 0.00 C ATOM 658 CD GLN A 68 -2.042 1.246 7.969 1.00 0.00 C ATOM 659 OE1 GLN A 68 -1.141 1.631 8.704 1.00 0.00 O ATOM 660 NE2 GLN A 68 -2.543 0.040 8.125 1.00 0.00 N ATOM 0 H GLN A 68 -2.784 4.743 6.778 1.00 0.00 H new ATOM 0 HA GLN A 68 -0.291 3.689 7.390 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -2.164 3.046 5.057 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -0.937 1.970 5.697 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -3.181 2.979 7.464 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -3.428 1.618 6.389 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -3.293 -0.283 7.514 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -2.181 -0.572 8.857 1.00 0.00 H new ATOM 669 N LEU A 69 -0.359 5.301 4.526 1.00 0.00 N ATOM 670 CA LEU A 69 0.430 5.807 3.416 1.00 0.00 C ATOM 671 C LEU A 69 1.263 7.007 3.842 1.00 0.00 C ATOM 672 O LEU A 69 2.462 7.060 3.582 1.00 0.00 O ATOM 673 CB LEU A 69 -0.492 6.160 2.255 1.00 0.00 C ATOM 674 CG LEU A 69 -1.265 4.945 1.740 1.00 0.00 C ATOM 675 CD1 LEU A 69 -2.317 5.441 0.748 1.00 0.00 C ATOM 676 CD2 LEU A 69 -0.348 3.905 1.091 1.00 0.00 C ATOM 0 H LEU A 69 -1.309 5.671 4.555 1.00 0.00 H new ATOM 0 HA LEU A 69 1.123 5.031 3.090 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.197 6.928 2.574 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.097 6.585 1.442 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.741 4.442 2.582 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -2.884 4.593 0.364 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -2.994 6.132 1.250 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -1.825 5.952 -0.079 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.944 3.062 0.742 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.173 4.356 0.246 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.381 3.556 1.822 1.00 0.00 H new ATOM 688 N ALA A 70 0.659 7.976 4.524 1.00 0.00 N ATOM 689 CA ALA A 70 1.400 9.097 5.080 1.00 0.00 C ATOM 690 C ALA A 70 2.486 8.595 6.041 1.00 0.00 C ATOM 691 O ALA A 70 3.509 9.265 6.190 1.00 0.00 O ATOM 692 CB ALA A 70 0.422 10.052 5.768 1.00 0.00 C ATOM 0 H ALA A 70 -0.345 8.005 4.704 1.00 0.00 H new ATOM 0 HA ALA A 70 1.907 9.642 4.283 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.971 10.895 6.187 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -0.303 10.417 5.040 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.100 9.525 6.567 1.00 0.00 H new ATOM 698 N SER A 71 2.313 7.406 6.628 1.00 0.00 N ATOM 699 CA SER A 71 3.284 6.736 7.476 1.00 0.00 C ATOM 700 C SER A 71 4.556 6.458 6.641 1.00 0.00 C ATOM 701 O SER A 71 5.585 7.089 6.891 1.00 0.00 O ATOM 702 CB SER A 71 2.605 5.508 8.104 1.00 0.00 C ATOM 703 OG SER A 71 3.361 4.866 9.106 1.00 0.00 O ATOM 0 H SER A 71 1.454 6.868 6.516 1.00 0.00 H new ATOM 0 HA SER A 71 3.622 7.344 8.316 1.00 0.00 H new ATOM 0 HB2 SER A 71 1.650 5.816 8.529 1.00 0.00 H new ATOM 0 HB3 SER A 71 2.386 4.788 7.316 1.00 0.00 H new ATOM 0 HG SER A 71 2.859 4.099 9.454 1.00 0.00 H new ATOM 709 N MET A 72 4.464 5.642 5.576 1.00 0.00 N ATOM 710 CA MET A 72 5.529 5.316 4.600 1.00 0.00 C ATOM 711 C MET A 72 6.012 6.522 3.765 1.00 0.00 C ATOM 712 O MET A 72 6.750 6.330 2.803 1.00 0.00 O ATOM 713 CB MET A 72 5.063 4.182 3.664 1.00 0.00 C ATOM 714 CG MET A 72 3.844 4.585 2.847 1.00 0.00 C ATOM 715 SD MET A 72 3.221 3.429 1.610 1.00 0.00 S ATOM 716 CE MET A 72 2.703 2.101 2.714 1.00 0.00 C ATOM 0 H MET A 72 3.592 5.161 5.357 1.00 0.00 H new ATOM 0 HA MET A 72 6.386 4.994 5.191 1.00 0.00 H new ATOM 0 HB2 MET A 72 5.876 3.909 2.992 1.00 0.00 H new ATOM 0 HB3 MET A 72 4.827 3.297 4.255 1.00 0.00 H new ATOM 0 HG2 MET A 72 3.032 4.796 3.543 1.00 0.00 H new ATOM 0 HG3 MET A 72 4.079 5.520 2.339 1.00 0.00 H new ATOM 0 HE1 MET A 72 2.040 1.421 2.179 1.00 0.00 H new ATOM 0 HE2 MET A 72 3.579 1.554 3.062 1.00 0.00 H new ATOM 0 HE3 MET A 72 2.176 2.524 3.569 1.00 0.00 H new ATOM 726 N GLY A 73 5.598 7.760 4.054 1.00 0.00 N ATOM 727 CA GLY A 73 6.144 8.941 3.395 1.00 0.00 C ATOM 728 C GLY A 73 5.466 9.295 2.069 1.00 0.00 C ATOM 729 O GLY A 73 5.979 10.140 1.324 1.00 0.00 O ATOM 0 H GLY A 73 4.879 7.966 4.748 1.00 0.00 H new ATOM 0 HA2 GLY A 73 6.059 9.792 4.071 1.00 0.00 H new ATOM 0 HA3 GLY A 73 7.207 8.783 3.215 1.00 0.00 H new ATOM 733 N LEU A 74 4.321 8.676 1.755 1.00 0.00 N ATOM 734 CA LEU A 74 3.466 9.100 0.649 1.00 0.00 C ATOM 735 C LEU A 74 3.000 10.526 0.926 1.00 0.00 C ATOM 736 O LEU A 74 2.713 10.919 2.060 1.00 0.00 O ATOM 737 CB LEU A 74 2.305 8.102 0.465 1.00 0.00 C ATOM 738 CG LEU A 74 1.051 8.450 -0.370 1.00 0.00 C ATOM 739 CD1 LEU A 74 0.081 9.299 0.450 1.00 0.00 C ATOM 740 CD2 LEU A 74 1.279 9.008 -1.772 1.00 0.00 C ATOM 0 H LEU A 74 3.965 7.867 2.264 1.00 0.00 H new ATOM 0 HA LEU A 74 4.011 9.103 -0.295 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.733 7.199 0.029 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.955 7.839 1.463 1.00 0.00 H new ATOM 0 HG LEU A 74 0.599 7.483 -0.590 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -0.796 9.535 -0.153 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.227 8.745 1.337 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.573 10.224 0.752 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.317 9.208 -2.245 1.00 0.00 H new ATOM 0 HD22 LEU A 74 1.851 9.934 -1.707 1.00 0.00 H new ATOM 0 HD23 LEU A 74 1.832 8.281 -2.367 1.00 0.00 H new ATOM 752 N ASN A 75 2.929 11.301 -0.142 1.00 0.00 N ATOM 753 CA ASN A 75 2.467 12.674 -0.191 1.00 0.00 C ATOM 754 C ASN A 75 0.966 12.734 -0.456 1.00 0.00 C ATOM 755 O ASN A 75 0.536 12.714 -1.614 1.00 0.00 O ATOM 756 CB ASN A 75 3.215 13.375 -1.320 1.00 0.00 C ATOM 757 CG ASN A 75 3.158 14.875 -1.170 1.00 0.00 C ATOM 758 OD1 ASN A 75 2.183 15.433 -0.683 1.00 0.00 O ATOM 759 ND2 ASN A 75 4.233 15.536 -1.543 1.00 0.00 N ATOM 0 H ASN A 75 3.213 10.962 -1.061 1.00 0.00 H new ATOM 0 HA ASN A 75 2.657 13.161 0.765 1.00 0.00 H new ATOM 0 HB2 ASN A 75 4.255 13.048 -1.328 1.00 0.00 H new ATOM 0 HB3 ASN A 75 2.783 13.087 -2.278 1.00 0.00 H new ATOM 0 HD21 ASN A 75 4.274 16.549 -1.430 1.00 0.00 H new ATOM 0 HD22 ASN A 75 5.026 15.035 -1.945 1.00 0.00 H new ATOM 766 N THR A 76 0.139 12.782 0.585 1.00 0.00 N ATOM 767 CA THR A 76 -1.306 12.901 0.433 1.00 0.00 C ATOM 768 C THR A 76 -1.686 14.196 -0.299 1.00 0.00 C ATOM 769 O THR A 76 -2.678 14.231 -1.029 1.00 0.00 O ATOM 770 CB THR A 76 -1.961 12.779 1.808 1.00 0.00 C ATOM 771 OG1 THR A 76 -1.451 13.759 2.695 1.00 0.00 O ATOM 772 CG2 THR A 76 -1.683 11.415 2.438 1.00 0.00 C ATOM 0 H THR A 76 0.452 12.740 1.555 1.00 0.00 H new ATOM 0 HA THR A 76 -1.680 12.091 -0.193 1.00 0.00 H new ATOM 0 HB THR A 76 -3.032 12.913 1.655 1.00 0.00 H new ATOM 0 HG1 THR A 76 -1.884 13.666 3.569 1.00 0.00 H new ATOM 0 HG21 THR A 76 -2.163 11.361 3.415 1.00 0.00 H new ATOM 0 HG22 THR A 76 -2.080 10.629 1.795 1.00 0.00 H new ATOM 0 HG23 THR A 76 -0.608 11.280 2.554 1.00 0.00 H new ATOM 780 N ALA A 77 -0.867 15.243 -0.151 1.00 0.00 N ATOM 781 CA ALA A 77 -1.095 16.535 -0.766 1.00 0.00 C ATOM 782 C ALA A 77 -0.772 16.541 -2.260 1.00 0.00 C ATOM 783 O ALA A 77 -1.210 17.459 -2.944 1.00 0.00 O ATOM 784 CB ALA A 77 -0.243 17.587 -0.060 1.00 0.00 C ATOM 0 H ALA A 77 -0.016 15.206 0.410 1.00 0.00 H new ATOM 0 HA ALA A 77 -2.156 16.763 -0.662 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.412 18.561 -0.520 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -0.518 17.631 0.994 1.00 0.00 H new ATOM 0 HB3 ALA A 77 0.810 17.322 -0.149 1.00 0.00 H new ATOM 790 N SER A 78 -0.016 15.568 -2.781 1.00 0.00 N ATOM 791 CA SER A 78 0.202 15.466 -4.218 1.00 0.00 C ATOM 792 C SER A 78 -1.074 15.049 -4.960 1.00 0.00 C ATOM 793 O SER A 78 -1.094 15.193 -6.182 1.00 0.00 O ATOM 794 CB SER A 78 1.349 14.491 -4.540 1.00 0.00 C ATOM 795 OG SER A 78 2.616 15.004 -4.173 1.00 0.00 O ATOM 0 H SER A 78 0.450 14.848 -2.229 1.00 0.00 H new ATOM 0 HA SER A 78 0.483 16.460 -4.567 1.00 0.00 H new ATOM 0 HB2 SER A 78 1.177 13.549 -4.019 1.00 0.00 H new ATOM 0 HB3 SER A 78 1.345 14.271 -5.607 1.00 0.00 H new ATOM 0 HG SER A 78 3.312 14.576 -4.714 1.00 0.00 H new ATOM 801 N VAL A 79 -2.112 14.521 -4.289 1.00 0.00 N ATOM 802 CA VAL A 79 -3.207 13.858 -4.971 1.00 0.00 C ATOM 803 C VAL A 79 -4.508 14.547 -4.581 1.00 0.00 C ATOM 804 O VAL A 79 -5.024 14.352 -3.470 1.00 0.00 O ATOM 805 CB VAL A 79 -3.164 12.353 -4.641 1.00 0.00 C ATOM 806 CG1 VAL A 79 -4.104 11.528 -5.530 1.00 0.00 C ATOM 807 CG2 VAL A 79 -1.753 11.790 -4.839 1.00 0.00 C ATOM 0 H VAL A 79 -2.204 14.547 -3.274 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.125 13.935 -6.055 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.480 12.273 -3.601 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -4.034 10.476 -5.255 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -5.129 11.872 -5.393 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -3.817 11.650 -6.574 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -1.749 10.727 -4.600 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -1.448 11.930 -5.876 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -1.057 12.312 -4.182 1.00 0.00 H new ATOM 817 N ALA A 80 -5.053 15.330 -5.516 1.00 0.00 N ATOM 818 CA ALA A 80 -6.472 15.636 -5.559 1.00 0.00 C ATOM 819 C ALA A 80 -7.197 14.297 -5.498 1.00 0.00 C ATOM 820 O ALA A 80 -7.031 13.435 -6.370 1.00 0.00 O ATOM 821 CB ALA A 80 -6.838 16.392 -6.836 1.00 0.00 C ATOM 0 H ALA A 80 -4.514 15.767 -6.264 1.00 0.00 H new ATOM 0 HA ALA A 80 -6.756 16.281 -4.728 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -7.907 16.606 -6.838 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -6.280 17.328 -6.878 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -6.588 15.782 -7.704 1.00 0.00 H new ATOM 827 N GLY A 81 -7.917 14.083 -4.407 1.00 0.00 N ATOM 828 CA GLY A 81 -8.644 12.867 -4.141 1.00 0.00 C ATOM 829 C GLY A 81 -8.099 12.073 -2.959 1.00 0.00 C ATOM 830 O GLY A 81 -8.810 11.191 -2.492 1.00 0.00 O ATOM 0 H GLY A 81 -8.009 14.776 -3.665 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -9.689 13.113 -3.951 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -8.621 12.238 -5.031 1.00 0.00 H new ATOM 834 N MET A 82 -6.893 12.358 -2.436 1.00 0.00 N ATOM 835 CA MET A 82 -6.401 11.654 -1.245 1.00 0.00 C ATOM 836 C MET A 82 -6.514 12.486 0.015 1.00 0.00 C ATOM 837 O MET A 82 -6.808 11.971 1.088 1.00 0.00 O ATOM 838 CB MET A 82 -4.955 11.171 -1.395 1.00 0.00 C ATOM 839 CG MET A 82 -4.731 10.043 -0.375 1.00 0.00 C ATOM 840 SD MET A 82 -3.393 8.871 -0.677 1.00 0.00 S ATOM 841 CE MET A 82 -3.600 8.519 -2.445 1.00 0.00 C ATOM 0 H MET A 82 -6.254 13.058 -2.813 1.00 0.00 H new ATOM 0 HA MET A 82 -7.052 10.785 -1.151 1.00 0.00 H new ATOM 0 HB2 MET A 82 -4.775 10.812 -2.408 1.00 0.00 H new ATOM 0 HB3 MET A 82 -4.258 11.990 -1.219 1.00 0.00 H new ATOM 0 HG2 MET A 82 -4.556 10.504 0.597 1.00 0.00 H new ATOM 0 HG3 MET A 82 -5.659 9.476 -0.297 1.00 0.00 H new ATOM 0 HE1 MET A 82 -2.909 7.730 -2.742 1.00 0.00 H new ATOM 0 HE2 MET A 82 -4.623 8.195 -2.634 1.00 0.00 H new ATOM 0 HE3 MET A 82 -3.392 9.420 -3.022 1.00 0.00 H new ATOM 851 N ASN A 83 -6.281 13.785 -0.077 1.00 0.00 N ATOM 852 CA ASN A 83 -6.224 14.635 1.104 1.00 0.00 C ATOM 853 C ASN A 83 -7.601 14.961 1.701 1.00 0.00 C ATOM 854 O ASN A 83 -7.730 15.783 2.605 1.00 0.00 O ATOM 855 CB ASN A 83 -5.360 15.855 0.807 1.00 0.00 C ATOM 856 CG ASN A 83 -5.873 16.792 -0.274 1.00 0.00 C ATOM 857 OD1 ASN A 83 -6.386 17.866 0.010 1.00 0.00 O ATOM 858 ND2 ASN A 83 -5.743 16.447 -1.547 1.00 0.00 N ATOM 0 H ASN A 83 -6.128 14.276 -0.958 1.00 0.00 H new ATOM 0 HA ASN A 83 -5.744 14.077 1.907 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -5.244 16.426 1.728 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -4.367 15.510 0.519 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -6.069 17.075 -2.281 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -5.316 15.554 -1.792 1.00 0.00 H new ATOM 865 N LEU A 84 -8.644 14.280 1.236 1.00 0.00 N ATOM 866 CA LEU A 84 -10.053 14.449 1.563 1.00 0.00 C ATOM 867 C LEU A 84 -10.702 13.106 1.952 1.00 0.00 C ATOM 868 O LEU A 84 -11.919 13.055 2.109 1.00 0.00 O ATOM 869 CB LEU A 84 -10.830 15.187 0.451 1.00 0.00 C ATOM 870 CG LEU A 84 -10.505 14.785 -0.992 1.00 0.00 C ATOM 871 CD1 LEU A 84 -9.158 15.380 -1.421 1.00 0.00 C ATOM 872 CD2 LEU A 84 -10.551 13.263 -1.155 1.00 0.00 C ATOM 0 H LEU A 84 -8.510 13.528 0.560 1.00 0.00 H new ATOM 0 HA LEU A 84 -10.108 15.094 2.440 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -11.896 15.030 0.617 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -10.645 16.256 0.557 1.00 0.00 H new ATOM 0 HG LEU A 84 -11.266 15.196 -1.656 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -8.941 15.086 -2.448 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -9.203 16.467 -1.357 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -8.371 15.010 -0.764 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -10.317 13.000 -2.187 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -9.820 12.804 -0.489 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -11.548 12.900 -0.905 1.00 0.00 H new ATOM 884 N LEU A 85 -9.937 12.014 2.084 1.00 0.00 N ATOM 885 CA LEU A 85 -10.446 10.713 2.546 1.00 0.00 C ATOM 886 C LEU A 85 -9.991 10.376 3.938 1.00 0.00 C ATOM 887 O LEU A 85 -9.158 11.090 4.510 1.00 0.00 O ATOM 888 CB LEU A 85 -10.288 9.591 1.522 1.00 0.00 C ATOM 889 CG LEU A 85 -8.880 9.419 0.960 1.00 0.00 C ATOM 890 CD1 LEU A 85 -8.033 8.751 2.020 1.00 0.00 C ATOM 891 CD2 LEU A 85 -8.787 8.709 -0.380 1.00 0.00 C ATOM 0 H LEU A 85 -8.939 12.007 1.872 1.00 0.00 H new ATOM 0 HA LEU A 85 -11.527 10.820 2.630 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -10.595 8.653 1.984 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -10.972 9.777 0.694 1.00 0.00 H new ATOM 0 HG LEU A 85 -8.503 10.415 0.726 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -7.019 8.616 1.644 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -8.008 9.376 2.913 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -8.460 7.780 2.268 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -7.743 8.642 -0.684 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -9.204 7.706 -0.290 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -9.348 9.269 -1.128 1.00 0.00 H new ATOM 903 N ALA A 86 -10.557 9.300 4.483 1.00 0.00 N ATOM 904 CA ALA A 86 -10.330 9.009 5.870 1.00 0.00 C ATOM 905 C ALA A 86 -8.946 8.398 6.090 1.00 0.00 C ATOM 906 O ALA A 86 -8.375 7.742 5.213 1.00 0.00 O ATOM 907 CB ALA A 86 -11.420 8.106 6.447 1.00 0.00 C ATOM 0 H ALA A 86 -11.158 8.640 3.989 1.00 0.00 H new ATOM 0 HA ALA A 86 -10.371 9.957 6.406 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -11.211 7.910 7.499 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -12.388 8.599 6.355 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -11.440 7.164 5.899 1.00 0.00 H new ATOM 913 N ASP A 87 -8.437 8.556 7.305 1.00 0.00 N ATOM 914 CA ASP A 87 -7.205 7.916 7.751 1.00 0.00 C ATOM 915 C ASP A 87 -7.344 6.421 7.962 1.00 0.00 C ATOM 916 O ASP A 87 -6.321 5.755 8.078 1.00 0.00 O ATOM 917 CB ASP A 87 -6.638 8.625 8.991 1.00 0.00 C ATOM 918 CG ASP A 87 -6.870 7.854 10.296 1.00 0.00 C ATOM 919 OD1 ASP A 87 -5.885 7.618 11.023 1.00 0.00 O ATOM 920 OD2 ASP A 87 -8.036 7.516 10.598 1.00 0.00 O ATOM 0 H ASP A 87 -8.874 9.140 8.018 1.00 0.00 H new ATOM 0 HA ASP A 87 -6.485 8.025 6.939 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -5.568 8.778 8.854 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -7.093 9.612 9.075 1.00 0.00 H new ATOM 926 N ASP A 88 -8.562 5.885 7.893 1.00 0.00 N ATOM 927 CA ASP A 88 -8.812 4.456 7.846 1.00 0.00 C ATOM 928 C ASP A 88 -9.809 4.150 6.720 1.00 0.00 C ATOM 929 O ASP A 88 -10.629 3.243 6.827 1.00 0.00 O ATOM 930 CB ASP A 88 -9.233 3.946 9.233 1.00 0.00 C ATOM 931 CG ASP A 88 -8.057 3.367 10.022 1.00 0.00 C ATOM 932 OD1 ASP A 88 -7.272 2.568 9.462 1.00 0.00 O ATOM 933 OD2 ASP A 88 -7.997 3.640 11.244 1.00 0.00 O ATOM 0 H ASP A 88 -9.413 6.446 7.868 1.00 0.00 H new ATOM 0 HA ASP A 88 -7.902 3.907 7.602 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -9.679 4.764 9.798 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -10.002 3.182 9.118 1.00 0.00 H new ATOM 939 N ALA A 89 -9.701 4.847 5.578 1.00 0.00 N ATOM 940 CA ALA A 89 -10.445 4.516 4.365 1.00 0.00 C ATOM 941 C ALA A 89 -9.495 3.969 3.323 1.00 0.00 C ATOM 942 O ALA A 89 -8.494 4.608 2.998 1.00 0.00 O ATOM 943 CB ALA A 89 -11.210 5.708 3.786 1.00 0.00 C ATOM 0 H ALA A 89 -9.091 5.658 5.476 1.00 0.00 H new ATOM 0 HA ALA A 89 -11.187 3.767 4.641 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -11.742 5.397 2.887 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -11.926 6.074 4.522 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -10.508 6.504 3.536 1.00 0.00 H new ATOM 949 N CYS A 90 -9.844 2.805 2.776 1.00 0.00 N ATOM 950 CA CYS A 90 -9.092 2.077 1.762 1.00 0.00 C ATOM 951 C CYS A 90 -8.831 3.000 0.574 1.00 0.00 C ATOM 952 O CYS A 90 -9.761 3.379 -0.141 1.00 0.00 O ATOM 953 CB CYS A 90 -9.884 0.834 1.327 1.00 0.00 C ATOM 954 SG CYS A 90 -10.445 -0.195 2.715 1.00 0.00 S ATOM 0 H CYS A 90 -10.702 2.323 3.043 1.00 0.00 H new ATOM 0 HA CYS A 90 -8.135 1.749 2.168 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -10.751 1.151 0.747 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -9.262 0.230 0.666 1.00 0.00 H new ATOM 0 HG CYS A 90 -9.601 -1.166 2.904 1.00 0.00 H new ATOM 960 N VAL A 91 -7.596 3.439 0.405 1.00 0.00 N ATOM 961 CA VAL A 91 -7.169 4.296 -0.688 1.00 0.00 C ATOM 962 C VAL A 91 -6.999 3.425 -1.941 1.00 0.00 C ATOM 963 O VAL A 91 -6.364 2.369 -1.856 1.00 0.00 O ATOM 964 CB VAL A 91 -5.857 5.001 -0.291 1.00 0.00 C ATOM 965 CG1 VAL A 91 -5.255 5.830 -1.433 1.00 0.00 C ATOM 966 CG2 VAL A 91 -6.103 5.963 0.882 1.00 0.00 C ATOM 0 H VAL A 91 -6.838 3.201 1.045 1.00 0.00 H new ATOM 0 HA VAL A 91 -7.907 5.069 -0.902 1.00 0.00 H new ATOM 0 HB VAL A 91 -5.162 4.205 -0.023 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.333 6.302 -1.093 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -5.038 5.179 -2.280 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -5.965 6.599 -1.738 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.168 6.454 1.152 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -6.836 6.714 0.589 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -6.480 5.404 1.738 1.00 0.00 H new ATOM 976 N PRO A 92 -7.471 3.872 -3.117 1.00 0.00 N ATOM 977 CA PRO A 92 -7.160 3.256 -4.405 1.00 0.00 C ATOM 978 C PRO A 92 -5.732 3.648 -4.820 1.00 0.00 C ATOM 979 O PRO A 92 -5.512 4.402 -5.775 1.00 0.00 O ATOM 980 CB PRO A 92 -8.242 3.788 -5.345 1.00 0.00 C ATOM 981 CG PRO A 92 -8.440 5.210 -4.828 1.00 0.00 C ATOM 982 CD PRO A 92 -8.283 5.067 -3.314 1.00 0.00 C ATOM 0 HA PRO A 92 -7.168 2.166 -4.402 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -7.921 3.774 -6.387 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -9.159 3.201 -5.286 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -7.701 5.895 -5.245 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -9.422 5.600 -5.094 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -7.800 5.945 -2.885 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -9.253 4.967 -2.827 1.00 0.00 H new ATOM 990 N LEU A 93 -4.750 3.184 -4.051 1.00 0.00 N ATOM 991 CA LEU A 93 -3.344 3.563 -4.141 1.00 0.00 C ATOM 992 C LEU A 93 -2.698 3.092 -5.443 1.00 0.00 C ATOM 993 O LEU A 93 -1.597 3.521 -5.730 1.00 0.00 O ATOM 994 CB LEU A 93 -2.627 3.009 -2.896 1.00 0.00 C ATOM 995 CG LEU A 93 -1.213 3.512 -2.541 1.00 0.00 C ATOM 996 CD1 LEU A 93 -0.085 2.602 -3.036 1.00 0.00 C ATOM 997 CD2 LEU A 93 -0.960 4.986 -2.877 1.00 0.00 C ATOM 0 H LEU A 93 -4.922 2.501 -3.313 1.00 0.00 H new ATOM 0 HA LEU A 93 -3.256 4.649 -4.162 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -3.268 3.206 -2.037 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -2.569 1.926 -3.009 1.00 0.00 H new ATOM 0 HG LEU A 93 -1.191 3.454 -1.453 1.00 0.00 H new ATOM 0 HD11 LEU A 93 0.877 3.025 -2.747 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -0.195 1.612 -2.592 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -0.134 2.520 -4.122 1.00 0.00 H new ATOM 0 HD21 LEU A 93 0.058 5.254 -2.594 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -1.093 5.143 -3.947 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -1.665 5.610 -2.329 1.00 0.00 H new ATOM 1009 N THR A 94 -3.365 2.269 -6.248 1.00 0.00 N ATOM 1010 CA THR A 94 -2.862 1.836 -7.546 1.00 0.00 C ATOM 1011 C THR A 94 -3.658 2.464 -8.708 1.00 0.00 C ATOM 1012 O THR A 94 -3.455 2.075 -9.860 1.00 0.00 O ATOM 1013 CB THR A 94 -2.774 0.298 -7.551 1.00 0.00 C ATOM 1014 OG1 THR A 94 -4.020 -0.312 -7.259 1.00 0.00 O ATOM 1015 CG2 THR A 94 -1.773 -0.213 -6.503 1.00 0.00 C ATOM 0 H THR A 94 -4.279 1.881 -6.014 1.00 0.00 H new ATOM 0 HA THR A 94 -1.851 2.206 -7.714 1.00 0.00 H new ATOM 0 HB THR A 94 -2.452 0.032 -8.558 1.00 0.00 H new ATOM 0 HG1 THR A 94 -3.919 -1.287 -7.274 1.00 0.00 H new ATOM 0 HG21 THR A 94 -1.737 -1.302 -6.535 1.00 0.00 H new ATOM 0 HG22 THR A 94 -0.783 0.189 -6.719 1.00 0.00 H new ATOM 0 HG23 THR A 94 -2.088 0.111 -5.511 1.00 0.00 H new ATOM 1023 N THR A 95 -4.554 3.429 -8.424 1.00 0.00 N ATOM 1024 CA THR A 95 -5.408 4.073 -9.423 1.00 0.00 C ATOM 1025 C THR A 95 -5.413 5.603 -9.283 1.00 0.00 C ATOM 1026 O THR A 95 -5.304 6.297 -10.294 1.00 0.00 O ATOM 1027 CB THR A 95 -6.802 3.429 -9.332 1.00 0.00 C ATOM 1028 OG1 THR A 95 -6.729 2.144 -9.910 1.00 0.00 O ATOM 1029 CG2 THR A 95 -7.907 4.196 -10.054 1.00 0.00 C ATOM 0 H THR A 95 -4.702 3.783 -7.479 1.00 0.00 H new ATOM 0 HA THR A 95 -5.015 3.908 -10.426 1.00 0.00 H new ATOM 0 HB THR A 95 -7.065 3.417 -8.274 1.00 0.00 H new ATOM 0 HG1 THR A 95 -7.608 1.713 -9.861 1.00 0.00 H new ATOM 0 HG21 THR A 95 -8.853 3.668 -9.936 1.00 0.00 H new ATOM 0 HG22 THR A 95 -7.994 5.196 -9.629 1.00 0.00 H new ATOM 0 HG23 THR A 95 -7.664 4.272 -11.114 1.00 0.00 H new ATOM 1037 N MET A 96 -5.504 6.161 -8.068 1.00 0.00 N ATOM 1038 CA MET A 96 -5.242 7.590 -7.856 1.00 0.00 C ATOM 1039 C MET A 96 -3.743 7.894 -7.823 1.00 0.00 C ATOM 1040 O MET A 96 -3.359 9.063 -7.750 1.00 0.00 O ATOM 1041 CB MET A 96 -5.853 8.076 -6.538 1.00 0.00 C ATOM 1042 CG MET A 96 -7.352 8.360 -6.627 1.00 0.00 C ATOM 1043 SD MET A 96 -8.015 9.397 -5.284 1.00 0.00 S ATOM 1044 CE MET A 96 -6.853 9.113 -3.912 1.00 0.00 C ATOM 0 H MET A 96 -5.755 5.648 -7.223 1.00 0.00 H new ATOM 0 HA MET A 96 -5.701 8.111 -8.696 1.00 0.00 H new ATOM 0 HB2 MET A 96 -5.679 7.325 -5.768 1.00 0.00 H new ATOM 0 HB3 MET A 96 -5.338 8.983 -6.221 1.00 0.00 H new ATOM 0 HG2 MET A 96 -7.559 8.848 -7.580 1.00 0.00 H new ATOM 0 HG3 MET A 96 -7.888 7.411 -6.632 1.00 0.00 H new ATOM 0 HE1 MET A 96 -7.334 9.372 -2.969 1.00 0.00 H new ATOM 0 HE2 MET A 96 -6.561 8.063 -3.894 1.00 0.00 H new ATOM 0 HE3 MET A 96 -5.968 9.734 -4.050 1.00 0.00 H new ATOM 1054 N VAL A 97 -2.905 6.862 -7.807 1.00 0.00 N ATOM 1055 CA VAL A 97 -1.470 6.968 -7.907 1.00 0.00 C ATOM 1056 C VAL A 97 -1.105 5.930 -8.958 1.00 0.00 C ATOM 1057 O VAL A 97 -1.108 4.728 -8.692 1.00 0.00 O ATOM 1058 CB VAL A 97 -0.790 6.763 -6.538 1.00 0.00 C ATOM 1059 CG1 VAL A 97 0.730 6.934 -6.646 1.00 0.00 C ATOM 1060 CG2 VAL A 97 -1.383 7.689 -5.458 1.00 0.00 C ATOM 0 H VAL A 97 -3.227 5.898 -7.721 1.00 0.00 H new ATOM 0 HA VAL A 97 -1.120 7.957 -8.203 1.00 0.00 H new ATOM 0 HB VAL A 97 -0.991 5.738 -6.226 1.00 0.00 H new ATOM 0 HG11 VAL A 97 1.184 6.784 -5.666 1.00 0.00 H new ATOM 0 HG12 VAL A 97 1.130 6.201 -7.347 1.00 0.00 H new ATOM 0 HG13 VAL A 97 0.959 7.939 -7.002 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -0.876 7.513 -4.509 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -1.246 8.729 -5.755 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -2.447 7.481 -5.345 1.00 0.00 H new ATOM 1070 N GLN A 98 -0.897 6.399 -10.183 1.00 0.00 N ATOM 1071 CA GLN A 98 -0.286 5.608 -11.239 1.00 0.00 C ATOM 1072 C GLN A 98 1.090 5.124 -10.761 1.00 0.00 C ATOM 1073 O GLN A 98 1.699 5.753 -9.892 1.00 0.00 O ATOM 1074 CB GLN A 98 -0.155 6.485 -12.498 1.00 0.00 C ATOM 1075 CG GLN A 98 -0.062 5.688 -13.805 1.00 0.00 C ATOM 1076 CD GLN A 98 -1.434 5.205 -14.261 1.00 0.00 C ATOM 1077 OE1 GLN A 98 -2.154 5.923 -14.949 1.00 0.00 O ATOM 1078 NE2 GLN A 98 -1.842 4.007 -13.891 1.00 0.00 N ATOM 0 H GLN A 98 -1.150 7.344 -10.471 1.00 0.00 H new ATOM 0 HA GLN A 98 -0.898 4.738 -11.479 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -1.013 7.155 -12.553 1.00 0.00 H new ATOM 0 HB3 GLN A 98 0.732 7.111 -12.402 1.00 0.00 H new ATOM 0 HG2 GLN A 98 0.383 6.310 -14.581 1.00 0.00 H new ATOM 0 HG3 GLN A 98 0.599 4.832 -13.665 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -1.238 3.416 -13.319 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -2.762 3.671 -14.176 1.00 0.00 H new ATOM 1087 N ASP A 99 1.605 4.040 -11.352 1.00 0.00 N ATOM 1088 CA ASP A 99 2.971 3.508 -11.193 1.00 0.00 C ATOM 1089 C ASP A 99 3.156 2.740 -9.888 1.00 0.00 C ATOM 1090 O ASP A 99 3.925 1.782 -9.819 1.00 0.00 O ATOM 1091 CB ASP A 99 4.030 4.625 -11.247 1.00 0.00 C ATOM 1092 CG ASP A 99 5.266 4.195 -12.012 1.00 0.00 C ATOM 1093 OD1 ASP A 99 5.438 4.672 -13.164 1.00 0.00 O ATOM 1094 OD2 ASP A 99 6.106 3.441 -11.477 1.00 0.00 O ATOM 0 H ASP A 99 1.049 3.474 -11.993 1.00 0.00 H new ATOM 0 HA ASP A 99 3.109 2.824 -12.030 1.00 0.00 H new ATOM 0 HB2 ASP A 99 3.601 5.510 -11.718 1.00 0.00 H new ATOM 0 HB3 ASP A 99 4.311 4.908 -10.233 1.00 0.00 H new ATOM 1100 N ALA A 100 2.450 3.171 -8.842 1.00 0.00 N ATOM 1101 CA ALA A 100 2.404 2.484 -7.576 1.00 0.00 C ATOM 1102 C ALA A 100 1.805 1.095 -7.751 1.00 0.00 C ATOM 1103 O ALA A 100 0.965 0.862 -8.619 1.00 0.00 O ATOM 1104 CB ALA A 100 1.582 3.301 -6.587 1.00 0.00 C ATOM 0 H ALA A 100 1.889 4.023 -8.864 1.00 0.00 H new ATOM 0 HA ALA A 100 3.417 2.371 -7.189 1.00 0.00 H new ATOM 0 HB1 ALA A 100 1.546 2.783 -5.629 1.00 0.00 H new ATOM 0 HB2 ALA A 100 2.042 4.280 -6.453 1.00 0.00 H new ATOM 0 HB3 ALA A 100 0.569 3.425 -6.971 1.00 0.00 H new ATOM 1110 N THR A 101 2.208 0.182 -6.878 1.00 0.00 N ATOM 1111 CA THR A 101 1.737 -1.199 -6.874 1.00 0.00 C ATOM 1112 C THR A 101 1.654 -1.668 -5.423 1.00 0.00 C ATOM 1113 O THR A 101 2.238 -1.023 -4.549 1.00 0.00 O ATOM 1114 CB THR A 101 2.648 -2.094 -7.740 1.00 0.00 C ATOM 1115 OG1 THR A 101 4.026 -1.867 -7.486 1.00 0.00 O ATOM 1116 CG2 THR A 101 2.414 -1.890 -9.239 1.00 0.00 C ATOM 0 H THR A 101 2.883 0.382 -6.140 1.00 0.00 H new ATOM 0 HA THR A 101 0.745 -1.268 -7.320 1.00 0.00 H new ATOM 0 HB THR A 101 2.382 -3.114 -7.461 1.00 0.00 H new ATOM 0 HG1 THR A 101 4.565 -2.456 -8.055 1.00 0.00 H new ATOM 0 HG21 THR A 101 3.080 -2.543 -9.803 1.00 0.00 H new ATOM 0 HG22 THR A 101 1.379 -2.130 -9.482 1.00 0.00 H new ATOM 0 HG23 THR A 101 2.617 -0.852 -9.501 1.00 0.00 H new ATOM 1124 N ALA A 102 0.932 -2.761 -5.159 1.00 0.00 N ATOM 1125 CA ALA A 102 0.719 -3.346 -3.842 1.00 0.00 C ATOM 1126 C ALA A 102 0.533 -4.862 -3.996 1.00 0.00 C ATOM 1127 O ALA A 102 -0.595 -5.352 -4.006 1.00 0.00 O ATOM 1128 CB ALA A 102 -0.500 -2.678 -3.177 1.00 0.00 C ATOM 0 H ALA A 102 0.460 -3.283 -5.897 1.00 0.00 H new ATOM 0 HA ALA A 102 1.581 -3.174 -3.197 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -0.661 -3.114 -2.191 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -0.318 -1.608 -3.075 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -1.384 -2.838 -3.794 1.00 0.00 H new ATOM 1134 N HIS A 103 1.629 -5.613 -4.102 1.00 0.00 N ATOM 1135 CA HIS A 103 1.674 -7.068 -4.303 1.00 0.00 C ATOM 1136 C HIS A 103 1.952 -7.747 -2.961 1.00 0.00 C ATOM 1137 O HIS A 103 3.002 -7.532 -2.361 1.00 0.00 O ATOM 1138 CB HIS A 103 2.774 -7.419 -5.329 1.00 0.00 C ATOM 1139 CG HIS A 103 3.043 -8.898 -5.561 1.00 0.00 C ATOM 1140 ND1 HIS A 103 3.157 -9.539 -6.775 1.00 0.00 N ATOM 1141 CD2 HIS A 103 3.354 -9.832 -4.612 1.00 0.00 C ATOM 1142 CE1 HIS A 103 3.488 -10.820 -6.528 1.00 0.00 C ATOM 1143 NE2 HIS A 103 3.633 -11.046 -5.220 1.00 0.00 N ATOM 0 H HIS A 103 2.562 -5.204 -4.047 1.00 0.00 H new ATOM 0 HA HIS A 103 0.718 -7.421 -4.690 1.00 0.00 H new ATOM 0 HB2 HIS A 103 2.505 -6.968 -6.284 1.00 0.00 H new ATOM 0 HB3 HIS A 103 3.703 -6.950 -5.005 1.00 0.00 H new ATOM 0 HD2 HIS A 103 3.379 -9.651 -3.548 1.00 0.00 H new ATOM 0 HE1 HIS A 103 3.620 -11.571 -7.292 1.00 0.00 H new ATOM 0 HE2 HIS A 103 3.893 -11.922 -4.767 1.00 0.00 H new ATOM 1152 N LEU A 104 1.049 -8.604 -2.485 1.00 0.00 N ATOM 1153 CA LEU A 104 1.289 -9.464 -1.325 1.00 0.00 C ATOM 1154 C LEU A 104 2.101 -10.674 -1.781 1.00 0.00 C ATOM 1155 O LEU A 104 1.605 -11.486 -2.556 1.00 0.00 O ATOM 1156 CB LEU A 104 -0.053 -9.851 -0.679 1.00 0.00 C ATOM 1157 CG LEU A 104 -0.094 -11.207 0.049 1.00 0.00 C ATOM 1158 CD1 LEU A 104 0.384 -11.090 1.490 1.00 0.00 C ATOM 1159 CD2 LEU A 104 -1.356 -12.012 -0.303 1.00 0.00 C ATOM 0 H LEU A 104 0.123 -8.722 -2.896 1.00 0.00 H new ATOM 0 HA LEU A 104 1.864 -8.943 -0.559 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -0.327 -9.072 0.033 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -0.818 -9.857 -1.456 1.00 0.00 H new ATOM 0 HG LEU A 104 0.662 -11.891 -0.336 1.00 0.00 H new ATOM 0 HD11 LEU A 104 0.340 -12.068 1.969 1.00 0.00 H new ATOM 0 HD12 LEU A 104 1.411 -10.725 1.504 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -0.256 -10.393 2.030 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -1.343 -12.961 0.233 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -2.241 -11.445 -0.016 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -1.379 -12.201 -1.376 1.00 0.00 H new ATOM 1171 N ASP A 105 3.329 -10.796 -1.288 1.00 0.00 N ATOM 1172 CA ASP A 105 4.143 -12.002 -1.366 1.00 0.00 C ATOM 1173 C ASP A 105 3.883 -12.778 -0.078 1.00 0.00 C ATOM 1174 O ASP A 105 4.507 -12.511 0.950 1.00 0.00 O ATOM 1175 CB ASP A 105 5.637 -11.645 -1.483 1.00 0.00 C ATOM 1176 CG ASP A 105 6.499 -12.815 -1.945 1.00 0.00 C ATOM 1177 OD1 ASP A 105 7.435 -12.578 -2.749 1.00 0.00 O ATOM 1178 OD2 ASP A 105 6.292 -13.955 -1.481 1.00 0.00 O ATOM 0 H ASP A 105 3.801 -10.030 -0.806 1.00 0.00 H new ATOM 0 HA ASP A 105 3.885 -12.592 -2.246 1.00 0.00 H new ATOM 0 HB2 ASP A 105 5.753 -10.818 -2.183 1.00 0.00 H new ATOM 0 HB3 ASP A 105 5.998 -11.296 -0.515 1.00 0.00 H new ATOM 1184 N VAL A 106 2.915 -13.686 -0.061 1.00 0.00 N ATOM 1185 CA VAL A 106 2.698 -14.578 1.063 1.00 0.00 C ATOM 1186 C VAL A 106 3.945 -15.425 1.326 1.00 0.00 C ATOM 1187 O VAL A 106 4.257 -15.722 2.483 1.00 0.00 O ATOM 1188 CB VAL A 106 1.502 -15.497 0.765 1.00 0.00 C ATOM 1189 CG1 VAL A 106 1.011 -16.042 2.094 1.00 0.00 C ATOM 1190 CG2 VAL A 106 0.308 -14.785 0.126 1.00 0.00 C ATOM 0 H VAL A 106 2.259 -13.822 -0.830 1.00 0.00 H new ATOM 0 HA VAL A 106 2.490 -13.980 1.950 1.00 0.00 H new ATOM 0 HB VAL A 106 1.853 -16.254 0.064 1.00 0.00 H new ATOM 0 HG11 VAL A 106 0.160 -16.701 1.925 1.00 0.00 H new ATOM 0 HG12 VAL A 106 1.813 -16.601 2.576 1.00 0.00 H new ATOM 0 HG13 VAL A 106 0.708 -15.215 2.737 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -0.492 -15.504 -0.051 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -0.049 -14.002 0.795 1.00 0.00 H new ATOM 0 HG23 VAL A 106 0.614 -14.341 -0.821 1.00 0.00 H new ATOM 1200 N GLY A 107 4.659 -15.787 0.253 1.00 0.00 N ATOM 1201 CA GLY A 107 5.835 -16.631 0.282 1.00 0.00 C ATOM 1202 C GLY A 107 6.864 -16.106 1.269 1.00 0.00 C ATOM 1203 O GLY A 107 7.216 -16.819 2.215 1.00 0.00 O ATOM 0 H GLY A 107 4.415 -15.483 -0.689 1.00 0.00 H new ATOM 0 HA2 GLY A 107 5.550 -17.647 0.556 1.00 0.00 H new ATOM 0 HA3 GLY A 107 6.275 -16.681 -0.714 1.00 0.00 H new ATOM 1207 N GLN A 108 7.318 -14.867 1.067 1.00 0.00 N ATOM 1208 CA GLN A 108 8.301 -14.213 1.929 1.00 0.00 C ATOM 1209 C GLN A 108 7.630 -13.350 3.009 1.00 0.00 C ATOM 1210 O GLN A 108 8.318 -12.669 3.770 1.00 0.00 O ATOM 1211 CB GLN A 108 9.304 -13.428 1.054 1.00 0.00 C ATOM 1212 CG GLN A 108 10.589 -12.932 1.758 1.00 0.00 C ATOM 1213 CD GLN A 108 11.298 -13.983 2.620 1.00 0.00 C ATOM 1214 OE1 GLN A 108 12.295 -14.577 2.222 1.00 0.00 O ATOM 1215 NE2 GLN A 108 10.821 -14.230 3.830 1.00 0.00 N ATOM 0 H GLN A 108 7.008 -14.284 0.290 1.00 0.00 H new ATOM 0 HA GLN A 108 8.860 -14.969 2.480 1.00 0.00 H new ATOM 0 HB2 GLN A 108 9.596 -14.062 0.217 1.00 0.00 H new ATOM 0 HB3 GLN A 108 8.789 -12.564 0.635 1.00 0.00 H new ATOM 0 HG2 GLN A 108 11.286 -12.574 1.000 1.00 0.00 H new ATOM 0 HG3 GLN A 108 10.335 -12.078 2.387 1.00 0.00 H new ATOM 0 HE21 GLN A 108 9.992 -13.737 4.162 1.00 0.00 H new ATOM 0 HE22 GLN A 108 11.282 -14.914 4.430 1.00 0.00 H new ATOM 1224 N GLN A 109 6.298 -13.384 3.095 1.00 0.00 N ATOM 1225 CA GLN A 109 5.472 -12.527 3.933 1.00 0.00 C ATOM 1226 C GLN A 109 5.829 -11.050 3.758 1.00 0.00 C ATOM 1227 O GLN A 109 6.098 -10.327 4.717 1.00 0.00 O ATOM 1228 CB GLN A 109 5.488 -12.992 5.390 1.00 0.00 C ATOM 1229 CG GLN A 109 4.816 -14.362 5.541 1.00 0.00 C ATOM 1230 CD GLN A 109 4.480 -14.685 6.994 1.00 0.00 C ATOM 1231 OE1 GLN A 109 5.131 -15.512 7.636 1.00 0.00 O ATOM 1232 NE2 GLN A 109 3.472 -14.044 7.554 1.00 0.00 N ATOM 0 H GLN A 109 5.743 -14.046 2.552 1.00 0.00 H new ATOM 0 HA GLN A 109 4.439 -12.620 3.599 1.00 0.00 H new ATOM 0 HB2 GLN A 109 6.517 -13.047 5.746 1.00 0.00 H new ATOM 0 HB3 GLN A 109 4.974 -12.261 6.014 1.00 0.00 H new ATOM 0 HG2 GLN A 109 3.903 -14.384 4.946 1.00 0.00 H new ATOM 0 HG3 GLN A 109 5.475 -15.133 5.143 1.00 0.00 H new ATOM 0 HE21 GLN A 109 2.939 -13.361 7.015 1.00 0.00 H new ATOM 0 HE22 GLN A 109 3.226 -14.231 8.526 1.00 0.00 H new ATOM 1241 N ARG A 110 5.808 -10.594 2.508 1.00 0.00 N ATOM 1242 CA ARG A 110 6.278 -9.288 2.095 1.00 0.00 C ATOM 1243 C ARG A 110 5.220 -8.633 1.239 1.00 0.00 C ATOM 1244 O ARG A 110 4.997 -9.049 0.108 1.00 0.00 O ATOM 1245 CB ARG A 110 7.618 -9.461 1.385 1.00 0.00 C ATOM 1246 CG ARG A 110 8.294 -8.116 1.095 1.00 0.00 C ATOM 1247 CD ARG A 110 9.466 -8.345 0.135 1.00 0.00 C ATOM 1248 NE ARG A 110 10.616 -7.503 0.467 1.00 0.00 N ATOM 1249 CZ ARG A 110 11.421 -6.875 -0.393 1.00 0.00 C ATOM 1250 NH1 ARG A 110 11.077 -6.678 -1.661 1.00 0.00 N ATOM 1251 NH2 ARG A 110 12.596 -6.436 0.030 1.00 0.00 N ATOM 0 H ARG A 110 5.449 -11.150 1.732 1.00 0.00 H new ATOM 0 HA ARG A 110 6.445 -8.626 2.945 1.00 0.00 H new ATOM 0 HB2 ARG A 110 8.278 -10.073 2.000 1.00 0.00 H new ATOM 0 HB3 ARG A 110 7.465 -9.999 0.449 1.00 0.00 H new ATOM 0 HG2 ARG A 110 7.578 -7.421 0.656 1.00 0.00 H new ATOM 0 HG3 ARG A 110 8.649 -7.665 2.022 1.00 0.00 H new ATOM 0 HD2 ARG A 110 9.762 -9.393 0.167 1.00 0.00 H new ATOM 0 HD3 ARG A 110 9.145 -8.136 -0.886 1.00 0.00 H new ATOM 0 HE ARG A 110 10.824 -7.384 1.458 1.00 0.00 H new ATOM 0 HH11 ARG A 110 10.175 -7.010 -2.002 1.00 0.00 H new ATOM 0 HH12 ARG A 110 11.715 -6.194 -2.293 1.00 0.00 H new ATOM 0 HH21 ARG A 110 12.875 -6.580 1.001 1.00 0.00 H new ATOM 0 HH22 ARG A 110 13.223 -5.954 -0.615 1.00 0.00 H new ATOM 1265 N LEU A 111 4.559 -7.602 1.754 1.00 0.00 N ATOM 1266 CA LEU A 111 3.695 -6.783 0.931 1.00 0.00 C ATOM 1267 C LEU A 111 4.612 -5.827 0.167 1.00 0.00 C ATOM 1268 O LEU A 111 4.906 -4.718 0.616 1.00 0.00 O ATOM 1269 CB LEU A 111 2.612 -6.097 1.771 1.00 0.00 C ATOM 1270 CG LEU A 111 1.677 -5.212 0.940 1.00 0.00 C ATOM 1271 CD1 LEU A 111 0.790 -5.993 -0.027 1.00 0.00 C ATOM 1272 CD2 LEU A 111 0.782 -4.377 1.855 1.00 0.00 C ATOM 0 H LEU A 111 4.608 -7.319 2.733 1.00 0.00 H new ATOM 0 HA LEU A 111 3.125 -7.373 0.213 1.00 0.00 H new ATOM 0 HB2 LEU A 111 2.022 -6.857 2.284 1.00 0.00 H new ATOM 0 HB3 LEU A 111 3.088 -5.490 2.541 1.00 0.00 H new ATOM 0 HG LEU A 111 2.330 -4.575 0.344 1.00 0.00 H new ATOM 0 HD11 LEU A 111 0.156 -5.300 -0.580 1.00 0.00 H new ATOM 0 HD12 LEU A 111 1.415 -6.549 -0.726 1.00 0.00 H new ATOM 0 HD13 LEU A 111 0.165 -6.688 0.533 1.00 0.00 H new ATOM 0 HD21 LEU A 111 0.124 -3.754 1.250 1.00 0.00 H new ATOM 0 HD22 LEU A 111 0.182 -5.039 2.480 1.00 0.00 H new ATOM 0 HD23 LEU A 111 1.401 -3.742 2.489 1.00 0.00 H new ATOM 1284 N ASN A 112 5.108 -6.312 -0.969 1.00 0.00 N ATOM 1285 CA ASN A 112 5.834 -5.547 -1.962 1.00 0.00 C ATOM 1286 C ASN A 112 4.942 -4.392 -2.391 1.00 0.00 C ATOM 1287 O ASN A 112 3.774 -4.581 -2.724 1.00 0.00 O ATOM 1288 CB ASN A 112 6.184 -6.425 -3.178 1.00 0.00 C ATOM 1289 CG ASN A 112 7.462 -7.222 -2.977 1.00 0.00 C ATOM 1290 OD1 ASN A 112 8.543 -6.647 -2.907 1.00 0.00 O ATOM 1291 ND2 ASN A 112 7.394 -8.537 -2.874 1.00 0.00 N ATOM 0 H ASN A 112 5.007 -7.293 -1.227 1.00 0.00 H new ATOM 0 HA ASN A 112 6.770 -5.178 -1.542 1.00 0.00 H new ATOM 0 HB2 ASN A 112 5.360 -7.111 -3.375 1.00 0.00 H new ATOM 0 HB3 ASN A 112 6.290 -5.792 -4.059 1.00 0.00 H new ATOM 0 HD21 ASN A 112 8.245 -9.082 -2.735 1.00 0.00 H new ATOM 0 HD22 ASN A 112 6.491 -9.007 -2.933 1.00 0.00 H new ATOM 1298 N LEU A 113 5.479 -3.186 -2.366 1.00 0.00 N ATOM 1299 CA LEU A 113 4.773 -1.953 -2.647 1.00 0.00 C ATOM 1300 C LEU A 113 5.726 -1.023 -3.400 1.00 0.00 C ATOM 1301 O LEU A 113 6.951 -1.190 -3.364 1.00 0.00 O ATOM 1302 CB LEU A 113 4.322 -1.321 -1.313 1.00 0.00 C ATOM 1303 CG LEU A 113 2.821 -1.036 -1.192 1.00 0.00 C ATOM 1304 CD1 LEU A 113 2.047 -2.065 -0.387 1.00 0.00 C ATOM 1305 CD2 LEU A 113 2.519 0.387 -0.753 1.00 0.00 C ATOM 0 H LEU A 113 6.462 -3.034 -2.139 1.00 0.00 H new ATOM 0 HA LEU A 113 3.889 -2.132 -3.259 1.00 0.00 H new ATOM 0 HB2 LEU A 113 4.615 -1.985 -0.499 1.00 0.00 H new ATOM 0 HB3 LEU A 113 4.864 -0.386 -1.172 1.00 0.00 H new ATOM 0 HG LEU A 113 2.448 -1.136 -2.211 1.00 0.00 H new ATOM 0 HD11 LEU A 113 0.994 -1.784 -0.353 1.00 0.00 H new ATOM 0 HD12 LEU A 113 2.146 -3.044 -0.856 1.00 0.00 H new ATOM 0 HD13 LEU A 113 2.444 -2.107 0.627 1.00 0.00 H new ATOM 0 HD21 LEU A 113 1.440 0.526 -0.686 1.00 0.00 H new ATOM 0 HD22 LEU A 113 2.970 0.570 0.222 1.00 0.00 H new ATOM 0 HD23 LEU A 113 2.930 1.087 -1.480 1.00 0.00 H new ATOM 1317 N THR A 114 5.190 0.001 -4.052 1.00 0.00 N ATOM 1318 CA THR A 114 5.966 1.033 -4.736 1.00 0.00 C ATOM 1319 C THR A 114 5.119 2.296 -4.762 1.00 0.00 C ATOM 1320 O THR A 114 3.897 2.177 -4.845 1.00 0.00 O ATOM 1321 CB THR A 114 6.257 0.570 -6.178 1.00 0.00 C ATOM 1322 OG1 THR A 114 6.858 -0.710 -6.158 1.00 0.00 O ATOM 1323 CG2 THR A 114 7.150 1.516 -6.982 1.00 0.00 C ATOM 0 H THR A 114 4.182 0.142 -4.123 1.00 0.00 H new ATOM 0 HA THR A 114 6.912 1.218 -4.227 1.00 0.00 H new ATOM 0 HB THR A 114 5.289 0.554 -6.678 1.00 0.00 H new ATOM 0 HG1 THR A 114 7.040 -1.001 -7.076 1.00 0.00 H new ATOM 0 HG21 THR A 114 7.301 1.111 -7.983 1.00 0.00 H new ATOM 0 HG22 THR A 114 6.673 2.493 -7.054 1.00 0.00 H new ATOM 0 HG23 THR A 114 8.114 1.619 -6.483 1.00 0.00 H new ATOM 1331 N ILE A 115 5.751 3.470 -4.745 1.00 0.00 N ATOM 1332 CA ILE A 115 5.149 4.757 -5.055 1.00 0.00 C ATOM 1333 C ILE A 115 6.184 5.567 -5.842 1.00 0.00 C ATOM 1334 O ILE A 115 7.347 5.619 -5.432 1.00 0.00 O ATOM 1335 CB ILE A 115 4.695 5.463 -3.755 1.00 0.00 C ATOM 1336 CG1 ILE A 115 3.403 4.778 -3.247 1.00 0.00 C ATOM 1337 CG2 ILE A 115 4.449 6.971 -3.935 1.00 0.00 C ATOM 1338 CD1 ILE A 115 2.812 5.478 -2.037 1.00 0.00 C ATOM 0 H ILE A 115 6.739 3.548 -4.504 1.00 0.00 H new ATOM 0 HA ILE A 115 4.251 4.644 -5.663 1.00 0.00 H new ATOM 0 HB ILE A 115 5.503 5.369 -3.030 1.00 0.00 H new ATOM 0 HG12 ILE A 115 2.665 4.761 -4.049 1.00 0.00 H new ATOM 0 HG13 ILE A 115 3.621 3.741 -2.992 1.00 0.00 H new ATOM 0 HG21 ILE A 115 4.133 7.404 -2.986 1.00 0.00 H new ATOM 0 HG22 ILE A 115 5.369 7.453 -4.266 1.00 0.00 H new ATOM 0 HG23 ILE A 115 3.670 7.126 -4.681 1.00 0.00 H new ATOM 0 HD11 ILE A 115 1.908 4.958 -1.721 1.00 0.00 H new ATOM 0 HD12 ILE A 115 3.537 5.472 -1.223 1.00 0.00 H new ATOM 0 HD13 ILE A 115 2.566 6.508 -2.296 1.00 0.00 H new ATOM 1350 N PRO A 116 5.784 6.219 -6.942 1.00 0.00 N ATOM 1351 CA PRO A 116 6.667 7.079 -7.710 1.00 0.00 C ATOM 1352 C PRO A 116 7.001 8.369 -6.948 1.00 0.00 C ATOM 1353 O PRO A 116 6.194 8.872 -6.163 1.00 0.00 O ATOM 1354 CB PRO A 116 5.884 7.391 -8.979 1.00 0.00 C ATOM 1355 CG PRO A 116 4.427 7.312 -8.550 1.00 0.00 C ATOM 1356 CD PRO A 116 4.446 6.207 -7.513 1.00 0.00 C ATOM 0 HA PRO A 116 7.624 6.599 -7.914 1.00 0.00 H new ATOM 0 HB2 PRO A 116 6.132 8.379 -9.366 1.00 0.00 H new ATOM 0 HB3 PRO A 116 6.105 6.674 -9.770 1.00 0.00 H new ATOM 0 HG2 PRO A 116 4.076 8.255 -8.131 1.00 0.00 H new ATOM 0 HG3 PRO A 116 3.771 7.071 -9.386 1.00 0.00 H new ATOM 0 HD2 PRO A 116 3.692 6.379 -6.745 1.00 0.00 H new ATOM 0 HD3 PRO A 116 4.224 5.241 -7.967 1.00 0.00 H new ATOM 1364 N GLN A 117 8.154 8.966 -7.263 1.00 0.00 N ATOM 1365 CA GLN A 117 8.730 10.121 -6.569 1.00 0.00 C ATOM 1366 C GLN A 117 7.767 11.299 -6.447 1.00 0.00 C ATOM 1367 O GLN A 117 7.767 11.988 -5.426 1.00 0.00 O ATOM 1368 CB GLN A 117 10.005 10.591 -7.295 1.00 0.00 C ATOM 1369 CG GLN A 117 11.180 9.620 -7.154 1.00 0.00 C ATOM 1370 CD GLN A 117 11.612 9.467 -5.699 1.00 0.00 C ATOM 1371 OE1 GLN A 117 12.230 10.356 -5.122 1.00 0.00 O ATOM 1372 NE2 GLN A 117 11.327 8.335 -5.081 1.00 0.00 N ATOM 0 H GLN A 117 8.734 8.646 -8.038 1.00 0.00 H new ATOM 0 HA GLN A 117 8.960 9.784 -5.558 1.00 0.00 H new ATOM 0 HB2 GLN A 117 9.782 10.728 -8.353 1.00 0.00 H new ATOM 0 HB3 GLN A 117 10.299 11.565 -6.903 1.00 0.00 H new ATOM 0 HG2 GLN A 117 10.898 8.646 -7.554 1.00 0.00 H new ATOM 0 HG3 GLN A 117 12.021 9.977 -7.748 1.00 0.00 H new ATOM 0 HE21 GLN A 117 10.813 7.602 -5.570 1.00 0.00 H new ATOM 0 HE22 GLN A 117 11.621 8.193 -4.115 1.00 0.00 H new ATOM 1381 N ALA A 118 6.934 11.528 -7.462 1.00 0.00 N ATOM 1382 CA ALA A 118 5.984 12.629 -7.464 1.00 0.00 C ATOM 1383 C ALA A 118 4.970 12.552 -6.308 1.00 0.00 C ATOM 1384 O ALA A 118 4.386 13.568 -5.919 1.00 0.00 O ATOM 1385 CB ALA A 118 5.285 12.659 -8.827 1.00 0.00 C ATOM 0 H ALA A 118 6.902 10.953 -8.304 1.00 0.00 H new ATOM 0 HA ALA A 118 6.529 13.559 -7.302 1.00 0.00 H new ATOM 0 HB1 ALA A 118 4.567 13.479 -8.850 1.00 0.00 H new ATOM 0 HB2 ALA A 118 6.026 12.804 -9.613 1.00 0.00 H new ATOM 0 HB3 ALA A 118 4.764 11.716 -8.989 1.00 0.00 H new ATOM 1391 N PHE A 119 4.765 11.372 -5.711 1.00 0.00 N ATOM 1392 CA PHE A 119 3.761 11.162 -4.697 1.00 0.00 C ATOM 1393 C PHE A 119 4.497 10.854 -3.393 1.00 0.00 C ATOM 1394 O PHE A 119 4.010 10.106 -2.552 1.00 0.00 O ATOM 1395 CB PHE A 119 2.869 10.015 -5.204 1.00 0.00 C ATOM 1396 CG PHE A 119 2.077 10.310 -6.473 1.00 0.00 C ATOM 1397 CD1 PHE A 119 2.709 10.463 -7.721 1.00 0.00 C ATOM 1398 CD2 PHE A 119 0.677 10.358 -6.424 1.00 0.00 C ATOM 1399 CE1 PHE A 119 1.964 10.712 -8.884 1.00 0.00 C ATOM 1400 CE2 PHE A 119 -0.080 10.555 -7.594 1.00 0.00 C ATOM 1401 CZ PHE A 119 0.564 10.747 -8.824 1.00 0.00 C ATOM 0 H PHE A 119 5.305 10.535 -5.931 1.00 0.00 H new ATOM 0 HA PHE A 119 3.119 12.022 -4.504 1.00 0.00 H new ATOM 0 HB2 PHE A 119 3.497 9.142 -5.383 1.00 0.00 H new ATOM 0 HB3 PHE A 119 2.168 9.747 -4.413 1.00 0.00 H new ATOM 0 HD1 PHE A 119 3.784 10.388 -7.785 1.00 0.00 H new ATOM 0 HD2 PHE A 119 0.173 10.242 -5.476 1.00 0.00 H new ATOM 0 HE1 PHE A 119 2.469 10.877 -9.824 1.00 0.00 H new ATOM 0 HE2 PHE A 119 -1.159 10.558 -7.544 1.00 0.00 H new ATOM 0 HZ PHE A 119 -0.014 10.921 -9.719 1.00 0.00 H new ATOM 1411 N MET A 120 5.625 11.523 -3.150 1.00 0.00 N ATOM 1412 CA MET A 120 6.439 11.384 -1.951 1.00 0.00 C ATOM 1413 C MET A 120 6.682 12.790 -1.404 1.00 0.00 C ATOM 1414 O MET A 120 6.688 13.770 -2.157 1.00 0.00 O ATOM 1415 CB MET A 120 7.716 10.593 -2.282 1.00 0.00 C ATOM 1416 CG MET A 120 7.386 9.181 -2.791 1.00 0.00 C ATOM 1417 SD MET A 120 8.498 7.885 -2.187 1.00 0.00 S ATOM 1418 CE MET A 120 7.958 7.800 -0.454 1.00 0.00 C ATOM 0 H MET A 120 6.007 12.200 -3.810 1.00 0.00 H new ATOM 0 HA MET A 120 5.945 10.808 -1.169 1.00 0.00 H new ATOM 0 HB2 MET A 120 8.292 11.128 -3.037 1.00 0.00 H new ATOM 0 HB3 MET A 120 8.343 10.523 -1.393 1.00 0.00 H new ATOM 0 HG2 MET A 120 6.366 8.932 -2.498 1.00 0.00 H new ATOM 0 HG3 MET A 120 7.413 9.186 -3.881 1.00 0.00 H new ATOM 0 HE1 MET A 120 8.452 6.964 0.041 1.00 0.00 H new ATOM 0 HE2 MET A 120 8.219 8.728 0.054 1.00 0.00 H new ATOM 0 HE3 MET A 120 6.878 7.657 -0.416 1.00 0.00 H new ATOM 1428 N SER A 121 6.697 12.930 -0.078 1.00 0.00 N ATOM 1429 CA SER A 121 6.782 14.250 0.539 1.00 0.00 C ATOM 1430 C SER A 121 8.222 14.757 0.427 1.00 0.00 C ATOM 1431 O SER A 121 8.451 15.870 -0.048 1.00 0.00 O ATOM 1432 CB SER A 121 6.243 14.174 1.972 1.00 0.00 C ATOM 1433 OG SER A 121 6.415 15.383 2.684 1.00 0.00 O ATOM 0 H SER A 121 6.652 12.153 0.582 1.00 0.00 H new ATOM 0 HA SER A 121 6.159 14.981 0.024 1.00 0.00 H new ATOM 0 HB2 SER A 121 5.183 13.921 1.944 1.00 0.00 H new ATOM 0 HB3 SER A 121 6.749 13.369 2.504 1.00 0.00 H new ATOM 0 HG SER A 121 6.054 15.283 3.590 1.00 0.00 H new ATOM 1439 N ASN A 122 9.185 13.944 0.859 1.00 0.00 N ATOM 1440 CA ASN A 122 10.612 14.253 0.884 1.00 0.00 C ATOM 1441 C ASN A 122 11.342 13.002 1.296 1.00 0.00 C ATOM 1442 O ASN A 122 12.174 12.474 0.556 1.00 0.00 O ATOM 1443 CB ASN A 122 10.980 15.356 1.888 1.00 0.00 C ATOM 1444 CG ASN A 122 9.986 15.522 3.033 1.00 0.00 C ATOM 1445 OD1 ASN A 122 9.938 14.700 3.941 1.00 0.00 O ATOM 1446 ND2 ASN A 122 9.156 16.545 3.019 1.00 0.00 N ATOM 0 H ASN A 122 8.982 13.011 1.217 1.00 0.00 H new ATOM 0 HA ASN A 122 10.888 14.607 -0.109 1.00 0.00 H new ATOM 0 HB2 ASN A 122 11.963 15.138 2.305 1.00 0.00 H new ATOM 0 HB3 ASN A 122 11.063 16.303 1.355 1.00 0.00 H new ATOM 0 HD21 ASN A 122 8.470 16.655 3.766 1.00 0.00 H new ATOM 0 HD22 ASN A 122 9.199 17.227 2.261 1.00 0.00 H new ATOM 1453 N ARG A 123 11.026 12.532 2.502 1.00 0.00 N ATOM 1454 CA ARG A 123 11.549 11.303 3.029 1.00 0.00 C ATOM 1455 C ARG A 123 10.417 10.406 3.476 1.00 0.00 C ATOM 1456 O ARG A 123 9.315 10.856 3.804 1.00 0.00 O ATOM 1457 CB ARG A 123 12.599 11.550 4.123 1.00 0.00 C ATOM 1458 CG ARG A 123 13.879 12.118 3.478 1.00 0.00 C ATOM 1459 CD ARG A 123 15.177 11.608 4.106 1.00 0.00 C ATOM 1460 NE ARG A 123 16.305 11.836 3.187 1.00 0.00 N ATOM 1461 CZ ARG A 123 16.670 11.007 2.198 1.00 0.00 C ATOM 1462 NH1 ARG A 123 16.061 9.840 2.028 1.00 0.00 N ATOM 1463 NH2 ARG A 123 17.642 11.356 1.370 1.00 0.00 N ATOM 0 H ARG A 123 10.389 13.012 3.138 1.00 0.00 H new ATOM 0 HA ARG A 123 12.081 10.779 2.235 1.00 0.00 H new ATOM 0 HB2 ARG A 123 12.211 12.248 4.865 1.00 0.00 H new ATOM 0 HB3 ARG A 123 12.823 10.620 4.646 1.00 0.00 H new ATOM 0 HG2 ARG A 123 13.879 11.868 2.417 1.00 0.00 H new ATOM 0 HG3 ARG A 123 13.857 13.205 3.550 1.00 0.00 H new ATOM 0 HD2 ARG A 123 15.359 12.119 5.051 1.00 0.00 H new ATOM 0 HD3 ARG A 123 15.089 10.545 4.330 1.00 0.00 H new ATOM 0 HE ARG A 123 16.850 12.689 3.312 1.00 0.00 H new ATOM 0 HH11 ARG A 123 15.305 9.563 2.654 1.00 0.00 H new ATOM 0 HH12 ARG A 123 16.349 9.220 1.271 1.00 0.00 H new ATOM 0 HH21 ARG A 123 18.112 12.254 1.485 1.00 0.00 H new ATOM 0 HH22 ARG A 123 17.921 10.727 0.617 1.00 0.00 H new ATOM 1477 N ALA A 124 10.752 9.126 3.499 1.00 0.00 N ATOM 1478 CA ALA A 124 10.055 8.062 4.173 1.00 0.00 C ATOM 1479 C ALA A 124 11.029 7.604 5.246 1.00 0.00 C ATOM 1480 O ALA A 124 12.195 7.336 4.935 1.00 0.00 O ATOM 1481 CB ALA A 124 9.749 6.959 3.170 1.00 0.00 C ATOM 0 H ALA A 124 11.580 8.787 3.009 1.00 0.00 H new ATOM 0 HA ALA A 124 9.101 8.358 4.608 1.00 0.00 H new ATOM 0 HB1 ALA A 124 9.221 6.148 3.671 1.00 0.00 H new ATOM 0 HB2 ALA A 124 9.126 7.358 2.369 1.00 0.00 H new ATOM 0 HB3 ALA A 124 10.681 6.580 2.750 1.00 0.00 H new ATOM 1487 N ARG A 125 10.596 7.627 6.500 1.00 0.00 N ATOM 1488 CA ARG A 125 11.408 7.350 7.674 1.00 0.00 C ATOM 1489 C ARG A 125 10.594 6.479 8.620 1.00 0.00 C ATOM 1490 O ARG A 125 9.342 6.534 8.560 1.00 0.00 O ATOM 1491 CB ARG A 125 11.855 8.647 8.371 1.00 0.00 C ATOM 1492 CG ARG A 125 12.575 9.661 7.465 1.00 0.00 C ATOM 1493 CD ARG A 125 13.891 9.146 6.852 1.00 0.00 C ATOM 1494 NE ARG A 125 15.068 9.732 7.518 1.00 0.00 N ATOM 1495 CZ ARG A 125 15.807 9.176 8.483 1.00 0.00 C ATOM 1496 NH1 ARG A 125 15.602 7.925 8.884 1.00 0.00 N ATOM 1497 NH2 ARG A 125 16.769 9.903 9.040 1.00 0.00 N ATOM 0 H ARG A 125 9.628 7.849 6.735 1.00 0.00 H new ATOM 0 HA ARG A 125 12.316 6.828 7.372 1.00 0.00 H new ATOM 0 HB2 ARG A 125 10.978 9.129 8.804 1.00 0.00 H new ATOM 0 HB3 ARG A 125 12.517 8.387 9.197 1.00 0.00 H new ATOM 0 HG2 ARG A 125 11.902 9.951 6.658 1.00 0.00 H new ATOM 0 HG3 ARG A 125 12.786 10.561 8.043 1.00 0.00 H new ATOM 0 HD2 ARG A 125 13.930 8.060 6.933 1.00 0.00 H new ATOM 0 HD3 ARG A 125 13.916 9.387 5.789 1.00 0.00 H new ATOM 0 HE ARG A 125 15.349 10.663 7.209 1.00 0.00 H new ATOM 0 HH11 ARG A 125 14.866 7.365 8.453 1.00 0.00 H new ATOM 0 HH12 ARG A 125 16.181 7.525 9.623 1.00 0.00 H new ATOM 0 HH21 ARG A 125 16.929 10.861 8.729 1.00 0.00 H new ATOM 0 HH22 ARG A 125 17.348 9.503 9.779 1.00 0.00 H new TER 1511 ARG A 125