USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 593 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 84 SER OG : rot -89:sc= 1.25 USER MOD Set 1.2: A 415 SER OG : rot 180:sc= 0.989 USER MOD Set 2.1: A 115 CYS SG : rot 160:sc= 3.09 USER MOD Set 2.2: A 117 THR OG1 : rot 86:sc= 1.29 USER MOD Set 2.3: A 118 CYS SG : rot -49:sc= -0.254! USER MOD Set 2.4: A 120 ASN : amide:sc= 1.25 K(o=0.89,f=-0.14) USER MOD Set 2.5: A 137 CYS SG : rot -145:sc= -4.49! USER MOD Set 3.1: A 87 CYS SG : rot -168:sc= 2.32 USER MOD Set 3.2: A 90 CYS SG : rot 130:sc= 1.8 USER MOD Set 3.3: A 109 HIS : no HD1:sc= -1.62! K(o=-2.8!,f=-3.5) USER MOD Set 3.4: A 111 LYS NZ :NH3+ -151:sc= 1.03 (180deg=0) USER MOD Set 3.5: A 112 CYS SG : rot -172:sc= -6.37! USER MOD Set 4.1: A 108 TYR OH : rot 174:sc= 0.876 USER MOD Set 4.2: A 130 TYR OH : rot 180:sc= 0.765 USER MOD Set 5.1: A 92 GLN : amide:sc= -2.51! C(o=-3!,f=-7.4!) USER MOD Set 5.2: A 93 SER OG : rot 110:sc= -0.474 USER MOD Set 6.1: A 88 SER OG : rot -58:sc= 0.929 USER MOD Set 6.2: A 106 ASN : amide:sc= 1.08 X(o=2,f=1.8) USER MOD Single : A 83 ASN : amide:sc= 0.36 X(o=0.36,f=0) USER MOD Single : A 97 SER OG : rot 180:sc= 0.0665 USER MOD Single : A 101 MET CE :methyl -121:sc= -0.134 (180deg=-0.197) USER MOD Single : A 104 GLN : amide:sc= -0.972 X(o=-0.97,f=-1.5) USER MOD Single : A 114 THR OG1 : rot -96:sc= 0.612 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 129 HIS : no HD1:sc= 0.304 K(o=0.3,f=-5.6!) USER MOD Single : A 132 ASN : amide:sc= -0.087 K(o=-0.087,f=-0.65) USER MOD Single : A 134 SER OG : rot 72:sc= 1.3 USER MOD Single : A 139 HIS : no HD1:sc= -0.242 X(o=-0.24,f=-0.031) USER MOD Single : A 143 THR OG1 : rot 180:sc= 0.14 USER MOD Single : A 208 SER OG : rot 180:sc= 0.0393 USER MOD Single : A 414 THR OG1 : rot 180:sc= 0.124 USER MOD ----------------------------------------------------------------- ATOM 61 N ARG A 79 -18.040 6.568 -2.002 1.00 0.00 N ATOM 62 CA ARG A 79 -17.021 6.220 -2.983 1.00 0.00 C ATOM 63 C ARG A 79 -16.335 4.946 -2.535 1.00 0.00 C ATOM 64 O ARG A 79 -15.920 4.121 -3.343 1.00 0.00 O ATOM 65 CB ARG A 79 -15.991 7.348 -3.131 1.00 0.00 C ATOM 66 CG ARG A 79 -15.566 7.602 -4.570 1.00 0.00 C ATOM 67 CD ARG A 79 -14.061 7.456 -4.752 1.00 0.00 C ATOM 68 NE ARG A 79 -13.678 6.111 -5.194 1.00 0.00 N ATOM 69 CZ ARG A 79 -13.751 5.693 -6.460 1.00 0.00 C ATOM 70 NH1 ARG A 79 -14.083 6.535 -7.430 1.00 0.00 N ATOM 71 NH2 ARG A 79 -13.451 4.441 -6.766 1.00 0.00 N ATOM 0 HA ARG A 79 -17.493 6.072 -3.954 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -16.408 8.266 -2.717 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -15.109 7.103 -2.539 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -16.081 6.903 -5.229 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -15.872 8.605 -4.867 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -13.714 8.188 -5.481 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -13.560 7.682 -3.810 1.00 0.00 H new ATOM 0 HE ARG A 79 -13.335 5.455 -4.492 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -14.285 7.511 -7.212 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -14.136 6.207 -8.394 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -13.163 3.792 -6.034 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -13.508 4.125 -7.734 1.00 0.00 H new ATOM 85 N LEU A 80 -16.238 4.794 -1.224 1.00 0.00 N ATOM 86 CA LEU A 80 -15.670 3.599 -0.626 1.00 0.00 C ATOM 87 C LEU A 80 -16.780 2.623 -0.242 1.00 0.00 C ATOM 88 O LEU A 80 -16.631 1.834 0.690 1.00 0.00 O ATOM 89 CB LEU A 80 -14.818 3.965 0.595 1.00 0.00 C ATOM 90 CG LEU A 80 -15.572 4.568 1.783 1.00 0.00 C ATOM 91 CD1 LEU A 80 -14.870 4.209 3.084 1.00 0.00 C ATOM 92 CD2 LEU A 80 -15.686 6.079 1.644 1.00 0.00 C ATOM 0 H LEU A 80 -16.549 5.492 -0.549 1.00 0.00 H new ATOM 0 HA LEU A 80 -15.024 3.113 -1.357 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -14.302 3.067 0.935 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -14.052 4.673 0.279 1.00 0.00 H new ATOM 0 HG LEU A 80 -16.579 4.152 1.797 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -15.414 4.643 3.923 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -14.839 3.125 3.193 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -13.853 4.602 3.069 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -16.226 6.483 2.500 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -14.689 6.517 1.604 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -16.225 6.320 0.728 1.00 0.00 H new ATOM 104 N PHE A 81 -17.885 2.685 -0.991 1.00 0.00 N ATOM 105 CA PHE A 81 -19.050 1.829 -0.764 1.00 0.00 C ATOM 106 C PHE A 81 -19.513 1.909 0.690 1.00 0.00 C ATOM 107 O PHE A 81 -19.305 0.989 1.478 1.00 0.00 O ATOM 108 CB PHE A 81 -18.741 0.383 -1.165 1.00 0.00 C ATOM 109 CG PHE A 81 -19.773 -0.207 -2.081 1.00 0.00 C ATOM 110 CD1 PHE A 81 -19.717 0.037 -3.440 1.00 0.00 C ATOM 111 CD2 PHE A 81 -20.800 -0.994 -1.587 1.00 0.00 C ATOM 112 CE1 PHE A 81 -20.662 -0.493 -4.295 1.00 0.00 C ATOM 113 CE2 PHE A 81 -21.750 -1.528 -2.438 1.00 0.00 C ATOM 114 CZ PHE A 81 -21.681 -1.274 -3.796 1.00 0.00 C ATOM 0 H PHE A 81 -17.996 3.331 -1.772 1.00 0.00 H new ATOM 0 HA PHE A 81 -19.865 2.189 -1.392 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -17.767 0.348 -1.654 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -18.669 -0.230 -0.266 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -18.923 0.651 -3.839 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -20.859 -1.192 -0.527 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -20.603 -0.295 -5.355 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -22.545 -2.143 -2.043 1.00 0.00 H new ATOM 0 HZ PHE A 81 -22.424 -1.687 -4.463 1.00 0.00 H new ATOM 124 N GLY A 82 -20.151 3.016 1.033 1.00 0.00 N ATOM 125 CA GLY A 82 -20.511 3.261 2.412 1.00 0.00 C ATOM 126 C GLY A 82 -19.439 4.056 3.125 1.00 0.00 C ATOM 127 O GLY A 82 -19.041 5.124 2.658 1.00 0.00 O ATOM 0 H GLY A 82 -20.426 3.750 0.380 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -21.456 3.802 2.453 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -20.665 2.311 2.925 1.00 0.00 H new ATOM 131 N ASN A 83 -18.959 3.532 4.243 1.00 0.00 N ATOM 132 CA ASN A 83 -17.908 4.196 5.002 1.00 0.00 C ATOM 133 C ASN A 83 -17.242 3.215 5.956 1.00 0.00 C ATOM 134 O ASN A 83 -17.363 3.329 7.177 1.00 0.00 O ATOM 135 CB ASN A 83 -18.472 5.396 5.779 1.00 0.00 C ATOM 136 CG ASN A 83 -17.410 6.419 6.155 1.00 0.00 C ATOM 137 OD1 ASN A 83 -17.384 7.532 5.624 1.00 0.00 O ATOM 138 ND2 ASN A 83 -16.533 6.060 7.079 1.00 0.00 N ATOM 0 H ASN A 83 -19.279 2.651 4.645 1.00 0.00 H new ATOM 0 HA ASN A 83 -17.160 4.563 4.299 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -19.239 5.883 5.177 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -18.959 5.037 6.686 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -15.806 6.712 7.373 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -16.584 5.131 7.497 1.00 0.00 H new ATOM 145 N SER A 84 -16.550 2.242 5.393 1.00 0.00 N ATOM 146 CA SER A 84 -15.847 1.256 6.193 1.00 0.00 C ATOM 147 C SER A 84 -14.335 1.372 6.003 1.00 0.00 C ATOM 148 O SER A 84 -13.622 1.839 6.891 1.00 0.00 O ATOM 149 CB SER A 84 -16.332 -0.142 5.818 1.00 0.00 C ATOM 150 OG SER A 84 -17.369 -0.071 4.852 1.00 0.00 O ATOM 0 H SER A 84 -16.460 2.113 4.385 1.00 0.00 H new ATOM 0 HA SER A 84 -16.061 1.439 7.246 1.00 0.00 H new ATOM 0 HB2 SER A 84 -15.501 -0.727 5.424 1.00 0.00 H new ATOM 0 HB3 SER A 84 -16.692 -0.658 6.708 1.00 0.00 H new ATOM 0 HG SER A 84 -18.235 -0.001 5.306 1.00 0.00 H new ATOM 156 N GLY A 85 -13.856 0.952 4.840 1.00 0.00 N ATOM 157 CA GLY A 85 -12.440 1.028 4.540 1.00 0.00 C ATOM 158 C GLY A 85 -12.188 1.410 3.098 1.00 0.00 C ATOM 159 O GLY A 85 -12.922 0.983 2.206 1.00 0.00 O ATOM 0 H GLY A 85 -14.428 0.557 4.094 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -11.969 1.759 5.197 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -11.973 0.065 4.747 1.00 0.00 H new ATOM 163 N ALA A 86 -11.155 2.209 2.869 1.00 0.00 N ATOM 164 CA ALA A 86 -10.834 2.680 1.533 1.00 0.00 C ATOM 165 C ALA A 86 -9.334 2.626 1.284 1.00 0.00 C ATOM 166 O ALA A 86 -8.536 2.588 2.223 1.00 0.00 O ATOM 167 CB ALA A 86 -11.355 4.095 1.333 1.00 0.00 C ATOM 0 H ALA A 86 -10.524 2.545 3.596 1.00 0.00 H new ATOM 0 HA ALA A 86 -11.321 2.022 0.813 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -11.107 4.435 0.328 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -12.437 4.106 1.464 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -10.894 4.759 2.064 1.00 0.00 H new ATOM 173 N CYS A 87 -8.966 2.606 0.012 1.00 0.00 N ATOM 174 CA CYS A 87 -7.571 2.600 -0.396 1.00 0.00 C ATOM 175 C CYS A 87 -7.035 4.022 -0.469 1.00 0.00 C ATOM 176 O CYS A 87 -7.750 4.947 -0.858 1.00 0.00 O ATOM 177 CB CYS A 87 -7.433 1.925 -1.762 1.00 0.00 C ATOM 178 SG CYS A 87 -5.761 1.968 -2.484 1.00 0.00 S ATOM 0 H CYS A 87 -9.626 2.593 -0.765 1.00 0.00 H new ATOM 0 HA CYS A 87 -6.993 2.044 0.342 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -7.744 0.885 -1.668 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -8.124 2.403 -2.457 1.00 0.00 H new ATOM 0 HG CYS A 87 -5.817 1.600 -3.730 1.00 0.00 H new ATOM 183 N SER A 88 -5.773 4.186 -0.117 1.00 0.00 N ATOM 184 CA SER A 88 -5.146 5.495 -0.143 1.00 0.00 C ATOM 185 C SER A 88 -4.627 5.824 -1.546 1.00 0.00 C ATOM 186 O SER A 88 -4.134 6.924 -1.794 1.00 0.00 O ATOM 187 CB SER A 88 -4.008 5.545 0.879 1.00 0.00 C ATOM 188 OG SER A 88 -4.216 4.590 1.912 1.00 0.00 O ATOM 0 H SER A 88 -5.162 3.429 0.190 1.00 0.00 H new ATOM 0 HA SER A 88 -5.892 6.245 0.121 1.00 0.00 H new ATOM 0 HB2 SER A 88 -3.058 5.349 0.382 1.00 0.00 H new ATOM 0 HB3 SER A 88 -3.943 6.544 1.309 1.00 0.00 H new ATOM 0 HG SER A 88 -5.075 4.764 2.350 1.00 0.00 H new ATOM 194 N ALA A 89 -4.748 4.868 -2.464 1.00 0.00 N ATOM 195 CA ALA A 89 -4.284 5.066 -3.832 1.00 0.00 C ATOM 196 C ALA A 89 -5.438 4.995 -4.830 1.00 0.00 C ATOM 197 O ALA A 89 -5.565 5.852 -5.703 1.00 0.00 O ATOM 198 CB ALA A 89 -3.215 4.043 -4.184 1.00 0.00 C ATOM 0 H ALA A 89 -5.162 3.953 -2.285 1.00 0.00 H new ATOM 0 HA ALA A 89 -3.851 6.064 -3.894 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -2.880 4.205 -5.208 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -2.370 4.151 -3.504 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -3.628 3.039 -4.092 1.00 0.00 H new ATOM 204 N CYS A 90 -6.278 3.971 -4.702 1.00 0.00 N ATOM 205 CA CYS A 90 -7.405 3.797 -5.610 1.00 0.00 C ATOM 206 C CYS A 90 -8.592 4.653 -5.188 1.00 0.00 C ATOM 207 O CYS A 90 -9.271 5.247 -6.025 1.00 0.00 O ATOM 208 CB CYS A 90 -7.834 2.327 -5.665 1.00 0.00 C ATOM 209 SG CYS A 90 -6.491 1.166 -6.076 1.00 0.00 S ATOM 0 H CYS A 90 -6.199 3.253 -3.982 1.00 0.00 H new ATOM 0 HA CYS A 90 -7.077 4.115 -6.600 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -8.256 2.048 -4.700 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -8.629 2.220 -6.403 1.00 0.00 H new ATOM 0 HG CYS A 90 -6.478 0.194 -5.213 1.00 0.00 H new ATOM 214 N GLY A 91 -8.831 4.709 -3.885 1.00 0.00 N ATOM 215 CA GLY A 91 -10.023 5.355 -3.376 1.00 0.00 C ATOM 216 C GLY A 91 -11.192 4.394 -3.364 1.00 0.00 C ATOM 217 O GLY A 91 -12.339 4.784 -3.140 1.00 0.00 O ATOM 0 H GLY A 91 -8.218 4.317 -3.170 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -9.839 5.724 -2.367 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -10.264 6.221 -3.993 1.00 0.00 H new ATOM 221 N GLN A 92 -10.890 3.128 -3.624 1.00 0.00 N ATOM 222 CA GLN A 92 -11.896 2.079 -3.634 1.00 0.00 C ATOM 223 C GLN A 92 -11.960 1.408 -2.270 1.00 0.00 C ATOM 224 O GLN A 92 -11.055 1.564 -1.450 1.00 0.00 O ATOM 225 CB GLN A 92 -11.570 1.039 -4.709 1.00 0.00 C ATOM 226 CG GLN A 92 -12.683 0.805 -5.723 1.00 0.00 C ATOM 227 CD GLN A 92 -14.065 1.159 -5.202 1.00 0.00 C ATOM 228 OE1 GLN A 92 -14.550 2.262 -5.417 1.00 0.00 O ATOM 229 NE2 GLN A 92 -14.708 0.228 -4.515 1.00 0.00 N ATOM 0 H GLN A 92 -9.946 2.803 -3.832 1.00 0.00 H new ATOM 0 HA GLN A 92 -12.864 2.526 -3.860 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -10.672 1.354 -5.241 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -11.336 0.093 -4.221 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -12.479 1.395 -6.617 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -12.675 -0.243 -6.024 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -14.272 -0.680 -4.355 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -15.639 0.419 -4.145 1.00 0.00 H new ATOM 238 N SER A 93 -13.022 0.664 -2.035 1.00 0.00 N ATOM 239 CA SER A 93 -13.207 -0.027 -0.774 1.00 0.00 C ATOM 240 C SER A 93 -12.434 -1.340 -0.746 1.00 0.00 C ATOM 241 O SER A 93 -11.885 -1.780 -1.765 1.00 0.00 O ATOM 242 CB SER A 93 -14.689 -0.302 -0.559 1.00 0.00 C ATOM 243 OG SER A 93 -15.453 0.177 -1.655 1.00 0.00 O ATOM 0 H SER A 93 -13.776 0.522 -2.707 1.00 0.00 H new ATOM 0 HA SER A 93 -12.826 0.609 0.025 1.00 0.00 H new ATOM 0 HB2 SER A 93 -14.851 -1.373 -0.437 1.00 0.00 H new ATOM 0 HB3 SER A 93 -15.023 0.178 0.361 1.00 0.00 H new ATOM 0 HG SER A 93 -15.807 -0.582 -2.164 1.00 0.00 H new ATOM 249 N ILE A 94 -12.392 -1.958 0.424 1.00 0.00 N ATOM 250 CA ILE A 94 -11.770 -3.262 0.577 1.00 0.00 C ATOM 251 C ILE A 94 -12.818 -4.311 0.956 1.00 0.00 C ATOM 252 O ILE A 94 -13.322 -4.320 2.082 1.00 0.00 O ATOM 253 CB ILE A 94 -10.644 -3.236 1.638 1.00 0.00 C ATOM 254 CG1 ILE A 94 -9.477 -2.380 1.154 1.00 0.00 C ATOM 255 CG2 ILE A 94 -10.156 -4.644 1.948 1.00 0.00 C ATOM 256 CD1 ILE A 94 -9.329 -1.077 1.903 1.00 0.00 C ATOM 0 H ILE A 94 -12.783 -1.575 1.284 1.00 0.00 H new ATOM 0 HA ILE A 94 -11.324 -3.527 -0.382 1.00 0.00 H new ATOM 0 HB ILE A 94 -11.052 -2.801 2.550 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -8.554 -2.952 1.251 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -9.610 -2.166 0.093 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -9.365 -4.598 2.696 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -10.984 -5.240 2.331 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -9.769 -5.103 1.038 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -8.480 -0.523 1.504 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -10.236 -0.485 1.785 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -9.164 -1.282 2.961 1.00 0.00 H new ATOM 268 N PRO A 95 -13.200 -5.173 0.001 1.00 0.00 N ATOM 269 CA PRO A 95 -14.149 -6.259 0.248 1.00 0.00 C ATOM 270 C PRO A 95 -13.525 -7.393 1.052 1.00 0.00 C ATOM 271 O PRO A 95 -12.305 -7.551 1.082 1.00 0.00 O ATOM 272 CB PRO A 95 -14.529 -6.749 -1.160 1.00 0.00 C ATOM 273 CG PRO A 95 -13.954 -5.746 -2.107 1.00 0.00 C ATOM 274 CD PRO A 95 -12.771 -5.144 -1.402 1.00 0.00 C ATOM 0 HA PRO A 95 -15.004 -5.921 0.834 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -14.125 -7.743 -1.351 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -15.611 -6.817 -1.272 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -13.652 -6.219 -3.041 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -14.689 -4.981 -2.360 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -11.863 -5.725 -1.562 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -12.566 -4.130 -1.744 1.00 0.00 H new ATOM 282 N ALA A 96 -14.367 -8.196 1.686 1.00 0.00 N ATOM 283 CA ALA A 96 -13.895 -9.301 2.511 1.00 0.00 C ATOM 284 C ALA A 96 -13.330 -10.428 1.650 1.00 0.00 C ATOM 285 O ALA A 96 -12.667 -11.337 2.151 1.00 0.00 O ATOM 286 CB ALA A 96 -15.024 -9.820 3.387 1.00 0.00 C ATOM 0 H ALA A 96 -15.382 -8.104 1.645 1.00 0.00 H new ATOM 0 HA ALA A 96 -13.093 -8.931 3.149 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -14.660 -10.645 3.999 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -15.381 -9.018 4.034 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -15.842 -10.169 2.757 1.00 0.00 H new ATOM 292 N SER A 97 -13.596 -10.358 0.355 1.00 0.00 N ATOM 293 CA SER A 97 -13.129 -11.362 -0.584 1.00 0.00 C ATOM 294 C SER A 97 -11.837 -10.912 -1.267 1.00 0.00 C ATOM 295 O SER A 97 -11.400 -11.508 -2.253 1.00 0.00 O ATOM 296 CB SER A 97 -14.218 -11.618 -1.625 1.00 0.00 C ATOM 297 OG SER A 97 -15.208 -10.597 -1.574 1.00 0.00 O ATOM 0 H SER A 97 -14.139 -9.607 -0.072 1.00 0.00 H new ATOM 0 HA SER A 97 -12.916 -12.283 -0.042 1.00 0.00 H new ATOM 0 HB2 SER A 97 -13.776 -11.654 -2.621 1.00 0.00 H new ATOM 0 HB3 SER A 97 -14.679 -12.589 -1.446 1.00 0.00 H new ATOM 0 HG SER A 97 -15.897 -10.775 -2.248 1.00 0.00 H new ATOM 303 N GLU A 98 -11.228 -9.857 -0.742 1.00 0.00 N ATOM 304 CA GLU A 98 -10.001 -9.334 -1.317 1.00 0.00 C ATOM 305 C GLU A 98 -8.894 -9.304 -0.282 1.00 0.00 C ATOM 306 O GLU A 98 -9.147 -9.278 0.922 1.00 0.00 O ATOM 307 CB GLU A 98 -10.225 -7.935 -1.886 1.00 0.00 C ATOM 308 CG GLU A 98 -11.065 -7.942 -3.148 1.00 0.00 C ATOM 309 CD GLU A 98 -10.244 -7.757 -4.405 1.00 0.00 C ATOM 310 OE1 GLU A 98 -9.677 -6.665 -4.597 1.00 0.00 O ATOM 311 OE2 GLU A 98 -10.173 -8.706 -5.211 1.00 0.00 O ATOM 0 H GLU A 98 -11.563 -9.350 0.077 1.00 0.00 H new ATOM 0 HA GLU A 98 -9.701 -9.996 -2.129 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -10.713 -7.315 -1.134 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -9.260 -7.476 -2.100 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -11.608 -8.885 -3.211 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -11.810 -7.148 -3.087 1.00 0.00 H new ATOM 318 N LEU A 99 -7.671 -9.309 -0.767 1.00 0.00 N ATOM 319 CA LEU A 99 -6.504 -9.270 0.091 1.00 0.00 C ATOM 320 C LEU A 99 -5.755 -7.965 -0.137 1.00 0.00 C ATOM 321 O LEU A 99 -5.481 -7.594 -1.278 1.00 0.00 O ATOM 322 CB LEU A 99 -5.591 -10.464 -0.196 1.00 0.00 C ATOM 323 CG LEU A 99 -6.278 -11.833 -0.178 1.00 0.00 C ATOM 324 CD1 LEU A 99 -5.765 -12.704 -1.314 1.00 0.00 C ATOM 325 CD2 LEU A 99 -6.061 -12.517 1.160 1.00 0.00 C ATOM 0 H LEU A 99 -7.457 -9.340 -1.764 1.00 0.00 H new ATOM 0 HA LEU A 99 -6.821 -9.326 1.132 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -5.129 -10.321 -1.173 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -4.786 -10.470 0.539 1.00 0.00 H new ATOM 0 HG LEU A 99 -7.348 -11.684 -0.319 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -6.265 -13.672 -1.284 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -5.972 -12.218 -2.267 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -4.690 -12.847 -1.206 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -6.555 -13.488 1.156 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -4.993 -12.654 1.330 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -6.479 -11.900 1.956 1.00 0.00 H new ATOM 337 N VAL A 100 -5.439 -7.272 0.947 1.00 0.00 N ATOM 338 CA VAL A 100 -4.803 -5.965 0.867 1.00 0.00 C ATOM 339 C VAL A 100 -3.572 -5.907 1.764 1.00 0.00 C ATOM 340 O VAL A 100 -3.364 -6.790 2.591 1.00 0.00 O ATOM 341 CB VAL A 100 -5.788 -4.846 1.268 1.00 0.00 C ATOM 342 CG1 VAL A 100 -6.843 -4.664 0.192 1.00 0.00 C ATOM 343 CG2 VAL A 100 -6.437 -5.146 2.612 1.00 0.00 C ATOM 0 H VAL A 100 -5.614 -7.596 1.898 1.00 0.00 H new ATOM 0 HA VAL A 100 -4.497 -5.810 -0.168 1.00 0.00 H new ATOM 0 HB VAL A 100 -5.228 -3.916 1.367 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -7.531 -3.872 0.487 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -6.361 -4.394 -0.748 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -7.395 -5.595 0.063 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -7.126 -4.342 2.871 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -6.984 -6.087 2.550 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -5.666 -5.224 3.379 1.00 0.00 H new ATOM 353 N MET A 101 -2.766 -4.869 1.603 1.00 0.00 N ATOM 354 CA MET A 101 -1.549 -4.717 2.388 1.00 0.00 C ATOM 355 C MET A 101 -1.686 -3.532 3.333 1.00 0.00 C ATOM 356 O MET A 101 -2.261 -2.505 2.973 1.00 0.00 O ATOM 357 CB MET A 101 -0.336 -4.524 1.471 1.00 0.00 C ATOM 358 CG MET A 101 -0.132 -5.658 0.479 1.00 0.00 C ATOM 359 SD MET A 101 1.454 -6.491 0.679 1.00 0.00 S ATOM 360 CE MET A 101 1.831 -6.901 -1.026 1.00 0.00 C ATOM 0 H MET A 101 -2.933 -4.117 0.934 1.00 0.00 H new ATOM 0 HA MET A 101 -1.397 -5.624 2.973 1.00 0.00 H new ATOM 0 HB2 MET A 101 -0.452 -3.590 0.922 1.00 0.00 H new ATOM 0 HB3 MET A 101 0.560 -4.424 2.084 1.00 0.00 H new ATOM 0 HG2 MET A 101 -0.936 -6.385 0.596 1.00 0.00 H new ATOM 0 HG3 MET A 101 -0.204 -5.264 -0.535 1.00 0.00 H new ATOM 0 HE1 MET A 101 1.944 -7.981 -1.124 1.00 0.00 H new ATOM 0 HE2 MET A 101 1.020 -6.561 -1.670 1.00 0.00 H new ATOM 0 HE3 MET A 101 2.759 -6.411 -1.321 1.00 0.00 H new ATOM 370 N ARG A 102 -1.169 -3.680 4.544 1.00 0.00 N ATOM 371 CA ARG A 102 -1.267 -2.630 5.551 1.00 0.00 C ATOM 372 C ARG A 102 0.101 -2.011 5.806 1.00 0.00 C ATOM 373 O ARG A 102 1.095 -2.724 5.920 1.00 0.00 O ATOM 374 CB ARG A 102 -1.826 -3.192 6.866 1.00 0.00 C ATOM 375 CG ARG A 102 -2.774 -4.371 6.693 1.00 0.00 C ATOM 376 CD ARG A 102 -3.642 -4.571 7.930 1.00 0.00 C ATOM 377 NE ARG A 102 -3.524 -5.919 8.486 1.00 0.00 N ATOM 378 CZ ARG A 102 -4.164 -6.337 9.577 1.00 0.00 C ATOM 379 NH1 ARG A 102 -4.959 -5.510 10.250 1.00 0.00 N ATOM 380 NH2 ARG A 102 -4.015 -7.589 9.985 1.00 0.00 N ATOM 0 H ARG A 102 -0.677 -4.517 4.855 1.00 0.00 H new ATOM 0 HA ARG A 102 -1.945 -1.864 5.175 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -0.993 -3.501 7.498 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -2.349 -2.395 7.394 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -3.410 -4.204 5.823 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -2.199 -5.277 6.499 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -3.359 -3.842 8.690 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -4.684 -4.377 7.674 1.00 0.00 H new ATOM 0 HE ARG A 102 -2.913 -6.581 8.008 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -5.082 -4.549 9.932 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -5.446 -5.837 11.085 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -3.413 -8.227 9.464 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -4.502 -7.915 10.820 1.00 0.00 H new ATOM 394 N ALA A 103 0.149 -0.688 5.896 1.00 0.00 N ATOM 395 CA ALA A 103 1.403 0.012 6.145 1.00 0.00 C ATOM 396 C ALA A 103 1.160 1.320 6.887 1.00 0.00 C ATOM 397 O ALA A 103 0.395 2.164 6.421 1.00 0.00 O ATOM 398 CB ALA A 103 2.130 0.280 4.833 1.00 0.00 C ATOM 0 H ALA A 103 -0.664 -0.079 5.801 1.00 0.00 H new ATOM 0 HA ALA A 103 2.027 -0.625 6.771 1.00 0.00 H new ATOM 0 HB1 ALA A 103 3.065 0.803 5.035 1.00 0.00 H new ATOM 0 HB2 ALA A 103 2.344 -0.666 4.336 1.00 0.00 H new ATOM 0 HB3 ALA A 103 1.502 0.895 4.188 1.00 0.00 H new ATOM 404 N GLN A 104 1.782 1.458 8.062 1.00 0.00 N ATOM 405 CA GLN A 104 1.718 2.688 8.867 1.00 0.00 C ATOM 406 C GLN A 104 0.331 2.897 9.471 1.00 0.00 C ATOM 407 O GLN A 104 0.110 3.839 10.233 1.00 0.00 O ATOM 408 CB GLN A 104 2.105 3.916 8.029 1.00 0.00 C ATOM 409 CG GLN A 104 3.252 4.727 8.614 1.00 0.00 C ATOM 410 CD GLN A 104 4.376 3.859 9.140 1.00 0.00 C ATOM 411 OE1 GLN A 104 5.237 3.408 8.387 1.00 0.00 O ATOM 412 NE2 GLN A 104 4.382 3.627 10.440 1.00 0.00 N ATOM 0 H GLN A 104 2.346 0.721 8.485 1.00 0.00 H new ATOM 0 HA GLN A 104 2.433 2.571 9.681 1.00 0.00 H new ATOM 0 HB2 GLN A 104 2.380 3.587 7.027 1.00 0.00 H new ATOM 0 HB3 GLN A 104 1.233 4.562 7.925 1.00 0.00 H new ATOM 0 HG2 GLN A 104 3.644 5.397 7.849 1.00 0.00 H new ATOM 0 HG3 GLN A 104 2.873 5.353 9.422 1.00 0.00 H new ATOM 0 HE21 GLN A 104 3.649 4.019 11.031 1.00 0.00 H new ATOM 0 HE22 GLN A 104 5.119 3.055 10.853 1.00 0.00 H new ATOM 421 N GLY A 105 -0.588 2.004 9.147 1.00 0.00 N ATOM 422 CA GLY A 105 -1.958 2.154 9.582 1.00 0.00 C ATOM 423 C GLY A 105 -2.885 2.342 8.402 1.00 0.00 C ATOM 424 O GLY A 105 -4.101 2.187 8.522 1.00 0.00 O ATOM 0 H GLY A 105 -0.407 1.172 8.586 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -2.261 1.275 10.150 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -2.039 3.010 10.252 1.00 0.00 H new ATOM 428 N ASN A 106 -2.297 2.669 7.257 1.00 0.00 N ATOM 429 CA ASN A 106 -3.053 2.852 6.024 1.00 0.00 C ATOM 430 C ASN A 106 -3.156 1.531 5.273 1.00 0.00 C ATOM 431 O ASN A 106 -2.415 0.584 5.560 1.00 0.00 O ATOM 432 CB ASN A 106 -2.392 3.914 5.137 1.00 0.00 C ATOM 433 CG ASN A 106 -2.951 5.303 5.373 1.00 0.00 C ATOM 434 OD1 ASN A 106 -2.792 5.870 6.453 1.00 0.00 O ATOM 435 ND2 ASN A 106 -3.611 5.865 4.371 1.00 0.00 N ATOM 0 H ASN A 106 -1.292 2.814 7.157 1.00 0.00 H new ATOM 0 HA ASN A 106 -4.056 3.193 6.281 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -1.318 3.922 5.325 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -2.530 3.644 4.090 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -4.007 6.798 4.481 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -3.723 5.364 3.489 1.00 0.00 H new ATOM 442 N VAL A 107 -4.076 1.464 4.321 1.00 0.00 N ATOM 443 CA VAL A 107 -4.310 0.238 3.574 1.00 0.00 C ATOM 444 C VAL A 107 -4.179 0.460 2.075 1.00 0.00 C ATOM 445 O VAL A 107 -4.607 1.487 1.545 1.00 0.00 O ATOM 446 CB VAL A 107 -5.706 -0.363 3.862 1.00 0.00 C ATOM 447 CG1 VAL A 107 -5.562 -1.696 4.575 1.00 0.00 C ATOM 448 CG2 VAL A 107 -6.570 0.601 4.671 1.00 0.00 C ATOM 0 H VAL A 107 -4.672 2.245 4.048 1.00 0.00 H new ATOM 0 HA VAL A 107 -3.545 -0.463 3.908 1.00 0.00 H new ATOM 0 HB VAL A 107 -6.211 -0.529 2.910 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -6.550 -2.111 4.773 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -4.998 -2.386 3.947 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -5.034 -1.549 5.517 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -7.544 0.149 4.856 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -6.083 0.816 5.622 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -6.701 1.528 4.113 1.00 0.00 H new ATOM 458 N TYR A 108 -3.576 -0.509 1.410 1.00 0.00 N ATOM 459 CA TYR A 108 -3.458 -0.508 -0.038 1.00 0.00 C ATOM 460 C TYR A 108 -3.897 -1.866 -0.566 1.00 0.00 C ATOM 461 O TYR A 108 -4.022 -2.816 0.199 1.00 0.00 O ATOM 462 CB TYR A 108 -2.011 -0.242 -0.475 1.00 0.00 C ATOM 463 CG TYR A 108 -1.456 1.102 -0.056 1.00 0.00 C ATOM 464 CD1 TYR A 108 -1.739 2.253 -0.781 1.00 0.00 C ATOM 465 CD2 TYR A 108 -0.629 1.215 1.055 1.00 0.00 C ATOM 466 CE1 TYR A 108 -1.216 3.478 -0.411 1.00 0.00 C ATOM 467 CE2 TYR A 108 -0.100 2.435 1.430 1.00 0.00 C ATOM 468 CZ TYR A 108 -0.397 3.562 0.696 1.00 0.00 C ATOM 469 OH TYR A 108 0.135 4.779 1.065 1.00 0.00 O ATOM 0 H TYR A 108 -3.153 -1.321 1.860 1.00 0.00 H new ATOM 0 HA TYR A 108 -4.089 0.285 -0.440 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -1.373 -1.026 -0.066 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -1.955 -0.320 -1.561 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -2.379 2.190 -1.649 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -0.396 0.334 1.635 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -1.447 4.363 -0.985 1.00 0.00 H new ATOM 0 HE2 TYR A 108 0.543 2.505 2.295 1.00 0.00 H new ATOM 0 HH TYR A 108 0.608 4.684 1.918 1.00 0.00 H new ATOM 479 N HIS A 109 -4.098 -1.965 -1.869 1.00 0.00 N ATOM 480 CA HIS A 109 -4.448 -3.234 -2.496 1.00 0.00 C ATOM 481 C HIS A 109 -3.163 -3.915 -2.960 1.00 0.00 C ATOM 482 O HIS A 109 -2.080 -3.596 -2.472 1.00 0.00 O ATOM 483 CB HIS A 109 -5.398 -3.029 -3.695 1.00 0.00 C ATOM 484 CG HIS A 109 -6.737 -2.444 -3.353 1.00 0.00 C ATOM 485 ND1 HIS A 109 -7.006 -1.097 -3.486 1.00 0.00 N ATOM 486 CD2 HIS A 109 -7.862 -3.069 -2.918 1.00 0.00 C ATOM 487 CE1 HIS A 109 -8.271 -0.937 -3.140 1.00 0.00 C ATOM 488 NE2 HIS A 109 -8.835 -2.104 -2.785 1.00 0.00 N ATOM 0 H HIS A 109 -4.025 -1.181 -2.517 1.00 0.00 H new ATOM 0 HA HIS A 109 -4.969 -3.857 -1.769 1.00 0.00 H new ATOM 0 HB2 HIS A 109 -4.909 -2.378 -4.419 1.00 0.00 H new ATOM 0 HB3 HIS A 109 -5.553 -3.991 -4.184 1.00 0.00 H new ATOM 0 HD2 HIS A 109 -7.972 -4.124 -2.715 1.00 0.00 H new ATOM 0 HE1 HIS A 109 -8.787 0.012 -3.142 1.00 0.00 H new ATOM 0 HE2 HIS A 109 -9.797 -2.247 -2.477 1.00 0.00 H new ATOM 496 N LEU A 110 -3.274 -4.839 -3.903 1.00 0.00 N ATOM 497 CA LEU A 110 -2.103 -5.528 -4.437 1.00 0.00 C ATOM 498 C LEU A 110 -1.451 -4.726 -5.569 1.00 0.00 C ATOM 499 O LEU A 110 -0.274 -4.909 -5.879 1.00 0.00 O ATOM 500 CB LEU A 110 -2.491 -6.927 -4.934 1.00 0.00 C ATOM 501 CG LEU A 110 -2.134 -8.070 -3.983 1.00 0.00 C ATOM 502 CD1 LEU A 110 -2.754 -9.375 -4.451 1.00 0.00 C ATOM 503 CD2 LEU A 110 -0.624 -8.208 -3.868 1.00 0.00 C ATOM 0 H LEU A 110 -4.160 -5.130 -4.315 1.00 0.00 H new ATOM 0 HA LEU A 110 -1.375 -5.625 -3.632 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -3.566 -6.947 -5.116 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -2.002 -7.105 -5.892 1.00 0.00 H new ATOM 0 HG LEU A 110 -2.539 -7.837 -2.998 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -2.486 -10.174 -3.759 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -3.839 -9.271 -4.484 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -2.383 -9.618 -5.447 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -0.384 -9.025 -3.188 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -0.202 -8.418 -4.851 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -0.202 -7.280 -3.483 1.00 0.00 H new ATOM 515 N LYS A 111 -2.224 -3.842 -6.187 1.00 0.00 N ATOM 516 CA LYS A 111 -1.749 -3.073 -7.339 1.00 0.00 C ATOM 517 C LYS A 111 -1.111 -1.748 -6.913 1.00 0.00 C ATOM 518 O LYS A 111 -0.139 -1.291 -7.515 1.00 0.00 O ATOM 519 CB LYS A 111 -2.904 -2.814 -8.314 1.00 0.00 C ATOM 520 CG LYS A 111 -4.140 -2.210 -7.663 1.00 0.00 C ATOM 521 CD LYS A 111 -5.251 -1.987 -8.673 1.00 0.00 C ATOM 522 CE LYS A 111 -5.371 -0.519 -9.053 1.00 0.00 C ATOM 523 NZ LYS A 111 -6.729 0.022 -8.779 1.00 0.00 N ATOM 0 H LYS A 111 -3.185 -3.637 -5.912 1.00 0.00 H new ATOM 0 HA LYS A 111 -0.981 -3.665 -7.838 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -2.558 -2.145 -9.102 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -3.180 -3.754 -8.792 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -4.494 -2.870 -6.871 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -3.878 -1.262 -7.194 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -5.057 -2.581 -9.566 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -6.197 -2.335 -8.258 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -4.632 0.060 -8.499 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -5.141 -0.399 -10.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -6.938 0.790 -9.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -7.433 -0.735 -8.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -6.767 0.390 -7.807 1.00 0.00 H new ATOM 537 N CYS A 112 -1.666 -1.152 -5.872 1.00 0.00 N ATOM 538 CA CYS A 112 -1.250 0.157 -5.385 1.00 0.00 C ATOM 539 C CYS A 112 0.062 0.065 -4.601 1.00 0.00 C ATOM 540 O CYS A 112 0.742 1.069 -4.380 1.00 0.00 O ATOM 541 CB CYS A 112 -2.387 0.668 -4.517 1.00 0.00 C ATOM 542 SG CYS A 112 -3.661 -0.616 -4.310 1.00 0.00 S ATOM 0 H CYS A 112 -2.427 -1.566 -5.333 1.00 0.00 H new ATOM 0 HA CYS A 112 -1.055 0.842 -6.210 1.00 0.00 H new ATOM 0 HB2 CYS A 112 -2.002 0.966 -3.542 1.00 0.00 H new ATOM 0 HB3 CYS A 112 -2.828 1.556 -4.971 1.00 0.00 H new ATOM 0 HG CYS A 112 -4.692 -0.110 -3.702 1.00 0.00 H new ATOM 547 N PHE A 113 0.410 -1.153 -4.199 1.00 0.00 N ATOM 548 CA PHE A 113 1.655 -1.420 -3.489 1.00 0.00 C ATOM 549 C PHE A 113 2.817 -1.536 -4.476 1.00 0.00 C ATOM 550 O PHE A 113 3.421 -2.602 -4.632 1.00 0.00 O ATOM 551 CB PHE A 113 1.527 -2.711 -2.674 1.00 0.00 C ATOM 552 CG PHE A 113 1.964 -2.575 -1.238 1.00 0.00 C ATOM 553 CD1 PHE A 113 1.516 -1.520 -0.457 1.00 0.00 C ATOM 554 CD2 PHE A 113 2.817 -3.509 -0.667 1.00 0.00 C ATOM 555 CE1 PHE A 113 1.913 -1.399 0.863 1.00 0.00 C ATOM 556 CE2 PHE A 113 3.217 -3.389 0.651 1.00 0.00 C ATOM 557 CZ PHE A 113 2.765 -2.336 1.417 1.00 0.00 C ATOM 0 H PHE A 113 -0.163 -1.982 -4.356 1.00 0.00 H new ATOM 0 HA PHE A 113 1.855 -0.590 -2.811 1.00 0.00 H new ATOM 0 HB2 PHE A 113 0.489 -3.042 -2.697 1.00 0.00 H new ATOM 0 HB3 PHE A 113 2.121 -3.490 -3.152 1.00 0.00 H new ATOM 0 HD1 PHE A 113 0.850 -0.785 -0.884 1.00 0.00 H new ATOM 0 HD2 PHE A 113 3.173 -4.339 -1.259 1.00 0.00 H new ATOM 0 HE1 PHE A 113 1.557 -0.573 1.460 1.00 0.00 H new ATOM 0 HE2 PHE A 113 3.884 -4.121 1.081 1.00 0.00 H new ATOM 0 HZ PHE A 113 3.076 -2.243 2.447 1.00 0.00 H new ATOM 567 N THR A 114 3.113 -0.438 -5.153 1.00 0.00 N ATOM 568 CA THR A 114 4.191 -0.412 -6.129 1.00 0.00 C ATOM 569 C THR A 114 5.101 0.790 -5.898 1.00 0.00 C ATOM 570 O THR A 114 4.664 1.811 -5.362 1.00 0.00 O ATOM 571 CB THR A 114 3.636 -0.361 -7.569 1.00 0.00 C ATOM 572 OG1 THR A 114 2.332 0.243 -7.578 1.00 0.00 O ATOM 573 CG2 THR A 114 3.542 -1.754 -8.164 1.00 0.00 C ATOM 0 H THR A 114 2.621 0.449 -5.044 1.00 0.00 H new ATOM 0 HA THR A 114 4.766 -1.329 -6.003 1.00 0.00 H new ATOM 0 HB THR A 114 4.322 0.236 -8.170 1.00 0.00 H new ATOM 0 HG1 THR A 114 1.647 -0.457 -7.554 1.00 0.00 H new ATOM 0 HG21 THR A 114 3.148 -1.691 -9.178 1.00 0.00 H new ATOM 0 HG22 THR A 114 4.533 -2.207 -8.187 1.00 0.00 H new ATOM 0 HG23 THR A 114 2.877 -2.366 -7.554 1.00 0.00 H new ATOM 581 N CYS A 115 6.366 0.658 -6.290 1.00 0.00 N ATOM 582 CA CYS A 115 7.312 1.759 -6.209 1.00 0.00 C ATOM 583 C CYS A 115 6.864 2.878 -7.135 1.00 0.00 C ATOM 584 O CYS A 115 6.534 2.639 -8.296 1.00 0.00 O ATOM 585 CB CYS A 115 8.714 1.270 -6.585 1.00 0.00 C ATOM 586 SG CYS A 115 9.936 2.575 -6.965 1.00 0.00 S ATOM 0 H CYS A 115 6.757 -0.205 -6.668 1.00 0.00 H new ATOM 0 HA CYS A 115 7.346 2.141 -5.189 1.00 0.00 H new ATOM 0 HB2 CYS A 115 9.100 0.665 -5.764 1.00 0.00 H new ATOM 0 HB3 CYS A 115 8.629 0.614 -7.452 1.00 0.00 H new ATOM 0 HG CYS A 115 11.137 2.093 -6.844 1.00 0.00 H new ATOM 591 N SER A 116 6.854 4.093 -6.627 1.00 0.00 N ATOM 592 CA SER A 116 6.371 5.218 -7.400 1.00 0.00 C ATOM 593 C SER A 116 7.451 5.757 -8.345 1.00 0.00 C ATOM 594 O SER A 116 7.222 6.729 -9.059 1.00 0.00 O ATOM 595 CB SER A 116 5.877 6.319 -6.458 1.00 0.00 C ATOM 596 OG SER A 116 5.123 5.764 -5.390 1.00 0.00 O ATOM 0 H SER A 116 7.173 4.326 -5.687 1.00 0.00 H new ATOM 0 HA SER A 116 5.541 4.877 -8.018 1.00 0.00 H new ATOM 0 HB2 SER A 116 6.727 6.873 -6.060 1.00 0.00 H new ATOM 0 HB3 SER A 116 5.264 7.030 -7.012 1.00 0.00 H new ATOM 0 HG SER A 116 4.817 6.482 -4.798 1.00 0.00 H new ATOM 602 N THR A 117 8.614 5.115 -8.364 1.00 0.00 N ATOM 603 CA THR A 117 9.731 5.601 -9.168 1.00 0.00 C ATOM 604 C THR A 117 9.961 4.740 -10.419 1.00 0.00 C ATOM 605 O THR A 117 10.066 5.266 -11.529 1.00 0.00 O ATOM 606 CB THR A 117 11.021 5.663 -8.332 1.00 0.00 C ATOM 607 OG1 THR A 117 10.724 5.378 -6.955 1.00 0.00 O ATOM 608 CG2 THR A 117 11.665 7.037 -8.437 1.00 0.00 C ATOM 0 H THR A 117 8.808 4.264 -7.837 1.00 0.00 H new ATOM 0 HA THR A 117 9.468 6.606 -9.498 1.00 0.00 H new ATOM 0 HB THR A 117 11.717 4.919 -8.719 1.00 0.00 H new ATOM 0 HG1 THR A 117 10.743 4.409 -6.810 1.00 0.00 H new ATOM 0 HG21 THR A 117 12.576 7.059 -7.838 1.00 0.00 H new ATOM 0 HG22 THR A 117 11.910 7.245 -9.478 1.00 0.00 H new ATOM 0 HG23 THR A 117 10.971 7.793 -8.070 1.00 0.00 H new ATOM 616 N CYS A 118 10.025 3.421 -10.247 1.00 0.00 N ATOM 617 CA CYS A 118 10.232 2.521 -11.385 1.00 0.00 C ATOM 618 C CYS A 118 8.987 1.686 -11.642 1.00 0.00 C ATOM 619 O CYS A 118 8.842 1.068 -12.701 1.00 0.00 O ATOM 620 CB CYS A 118 11.435 1.608 -11.142 1.00 0.00 C ATOM 621 SG CYS A 118 11.217 0.412 -9.788 1.00 0.00 S ATOM 0 H CYS A 118 9.938 2.954 -9.344 1.00 0.00 H new ATOM 0 HA CYS A 118 10.431 3.132 -12.265 1.00 0.00 H new ATOM 0 HB2 CYS A 118 11.651 1.062 -12.060 1.00 0.00 H new ATOM 0 HB3 CYS A 118 12.306 2.227 -10.926 1.00 0.00 H new ATOM 0 HG CYS A 118 10.774 1.028 -8.732 1.00 0.00 H new ATOM 626 N ARG A 119 8.098 1.692 -10.658 1.00 0.00 N ATOM 627 CA ARG A 119 6.850 0.942 -10.697 1.00 0.00 C ATOM 628 C ARG A 119 7.095 -0.553 -10.500 1.00 0.00 C ATOM 629 O ARG A 119 6.289 -1.381 -10.926 1.00 0.00 O ATOM 630 CB ARG A 119 6.068 1.200 -11.995 1.00 0.00 C ATOM 631 CG ARG A 119 4.630 1.640 -11.759 1.00 0.00 C ATOM 632 CD ARG A 119 3.809 0.543 -11.101 1.00 0.00 C ATOM 633 NE ARG A 119 2.370 0.787 -11.204 1.00 0.00 N ATOM 634 CZ ARG A 119 1.664 0.671 -12.331 1.00 0.00 C ATOM 635 NH1 ARG A 119 2.253 0.311 -13.467 1.00 0.00 N ATOM 636 NH2 ARG A 119 0.355 0.897 -12.312 1.00 0.00 N ATOM 0 H ARG A 119 8.225 2.226 -9.798 1.00 0.00 H new ATOM 0 HA ARG A 119 6.238 1.298 -9.868 1.00 0.00 H new ATOM 0 HB2 ARG A 119 6.584 1.966 -12.575 1.00 0.00 H new ATOM 0 HB3 ARG A 119 6.068 0.291 -12.597 1.00 0.00 H new ATOM 0 HG2 ARG A 119 4.620 2.530 -11.129 1.00 0.00 H new ATOM 0 HG3 ARG A 119 4.173 1.917 -12.709 1.00 0.00 H new ATOM 0 HD2 ARG A 119 4.047 -0.414 -11.566 1.00 0.00 H new ATOM 0 HD3 ARG A 119 4.087 0.465 -10.050 1.00 0.00 H new ATOM 0 HE ARG A 119 1.873 1.064 -10.358 1.00 0.00 H new ATOM 0 HH11 ARG A 119 3.255 0.120 -13.484 1.00 0.00 H new ATOM 0 HH12 ARG A 119 1.703 0.226 -14.322 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -0.105 1.158 -11.440 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -0.190 0.810 -13.170 1.00 0.00 H new ATOM 650 N ASN A 120 8.208 -0.906 -9.864 1.00 0.00 N ATOM 651 CA ASN A 120 8.422 -2.288 -9.460 1.00 0.00 C ATOM 652 C ASN A 120 7.400 -2.670 -8.401 1.00 0.00 C ATOM 653 O ASN A 120 7.137 -1.904 -7.469 1.00 0.00 O ATOM 654 CB ASN A 120 9.837 -2.494 -8.913 1.00 0.00 C ATOM 655 CG ASN A 120 10.741 -3.204 -9.902 1.00 0.00 C ATOM 656 OD1 ASN A 120 10.630 -4.413 -10.114 1.00 0.00 O ATOM 657 ND2 ASN A 120 11.641 -2.456 -10.519 1.00 0.00 N ATOM 0 H ASN A 120 8.963 -0.265 -9.621 1.00 0.00 H new ATOM 0 HA ASN A 120 8.303 -2.925 -10.337 1.00 0.00 H new ATOM 0 HB2 ASN A 120 10.270 -1.526 -8.659 1.00 0.00 H new ATOM 0 HB3 ASN A 120 9.786 -3.073 -7.991 1.00 0.00 H new ATOM 0 HD21 ASN A 120 12.275 -2.877 -11.198 1.00 0.00 H new ATOM 0 HD22 ASN A 120 11.701 -1.458 -10.316 1.00 0.00 H new ATOM 664 N ARG A 121 6.789 -3.829 -8.565 1.00 0.00 N ATOM 665 CA ARG A 121 5.806 -4.299 -7.611 1.00 0.00 C ATOM 666 C ARG A 121 6.494 -4.797 -6.348 1.00 0.00 C ATOM 667 O ARG A 121 7.312 -5.715 -6.407 1.00 0.00 O ATOM 668 CB ARG A 121 4.959 -5.417 -8.228 1.00 0.00 C ATOM 669 CG ARG A 121 3.895 -5.972 -7.292 1.00 0.00 C ATOM 670 CD ARG A 121 2.571 -5.230 -7.426 1.00 0.00 C ATOM 671 NE ARG A 121 2.195 -4.997 -8.825 1.00 0.00 N ATOM 672 CZ ARG A 121 1.646 -5.918 -9.620 1.00 0.00 C ATOM 673 NH1 ARG A 121 1.381 -7.136 -9.161 1.00 0.00 N ATOM 674 NH2 ARG A 121 1.345 -5.609 -10.875 1.00 0.00 N ATOM 0 H ARG A 121 6.957 -4.460 -9.349 1.00 0.00 H new ATOM 0 HA ARG A 121 5.151 -3.469 -7.348 1.00 0.00 H new ATOM 0 HB2 ARG A 121 4.475 -5.038 -9.128 1.00 0.00 H new ATOM 0 HB3 ARG A 121 5.617 -6.229 -8.537 1.00 0.00 H new ATOM 0 HG2 ARG A 121 3.741 -7.030 -7.506 1.00 0.00 H new ATOM 0 HG3 ARG A 121 4.246 -5.903 -6.263 1.00 0.00 H new ATOM 0 HD2 ARG A 121 1.786 -5.803 -6.933 1.00 0.00 H new ATOM 0 HD3 ARG A 121 2.640 -4.273 -6.908 1.00 0.00 H new ATOM 0 HE ARG A 121 2.364 -4.070 -9.216 1.00 0.00 H new ATOM 0 HH11 ARG A 121 1.597 -7.374 -8.193 1.00 0.00 H new ATOM 0 HH12 ARG A 121 0.961 -7.833 -9.776 1.00 0.00 H new ATOM 0 HH21 ARG A 121 1.533 -4.671 -11.228 1.00 0.00 H new ATOM 0 HH22 ARG A 121 0.925 -6.310 -11.486 1.00 0.00 H new ATOM 688 N LEU A 122 6.179 -4.172 -5.218 1.00 0.00 N ATOM 689 CA LEU A 122 6.704 -4.613 -3.933 1.00 0.00 C ATOM 690 C LEU A 122 6.282 -6.055 -3.695 1.00 0.00 C ATOM 691 O LEU A 122 5.134 -6.423 -3.954 1.00 0.00 O ATOM 692 CB LEU A 122 6.211 -3.705 -2.803 1.00 0.00 C ATOM 693 CG LEU A 122 6.340 -2.206 -3.078 1.00 0.00 C ATOM 694 CD1 LEU A 122 5.687 -1.406 -1.968 1.00 0.00 C ATOM 695 CD2 LEU A 122 7.799 -1.804 -3.239 1.00 0.00 C ATOM 0 H LEU A 122 5.564 -3.360 -5.167 1.00 0.00 H new ATOM 0 HA LEU A 122 7.792 -4.554 -3.947 1.00 0.00 H new ATOM 0 HB2 LEU A 122 5.164 -3.934 -2.603 1.00 0.00 H new ATOM 0 HB3 LEU A 122 6.768 -3.942 -1.897 1.00 0.00 H new ATOM 0 HG LEU A 122 5.825 -1.988 -4.014 1.00 0.00 H new ATOM 0 HD11 LEU A 122 5.788 -0.341 -2.179 1.00 0.00 H new ATOM 0 HD12 LEU A 122 4.630 -1.665 -1.906 1.00 0.00 H new ATOM 0 HD13 LEU A 122 6.173 -1.635 -1.020 1.00 0.00 H new ATOM 0 HD21 LEU A 122 7.862 -0.733 -3.434 1.00 0.00 H new ATOM 0 HD22 LEU A 122 8.344 -2.039 -2.325 1.00 0.00 H new ATOM 0 HD23 LEU A 122 8.237 -2.351 -4.074 1.00 0.00 H new ATOM 707 N VAL A 123 7.195 -6.873 -3.202 1.00 0.00 N ATOM 708 CA VAL A 123 6.987 -8.305 -3.226 1.00 0.00 C ATOM 709 C VAL A 123 6.880 -8.869 -1.825 1.00 0.00 C ATOM 710 O VAL A 123 7.688 -8.553 -0.949 1.00 0.00 O ATOM 711 CB VAL A 123 8.113 -9.047 -3.987 1.00 0.00 C ATOM 712 CG1 VAL A 123 7.580 -9.636 -5.286 1.00 0.00 C ATOM 713 CG2 VAL A 123 9.296 -8.125 -4.262 1.00 0.00 C ATOM 0 H VAL A 123 8.076 -6.573 -2.786 1.00 0.00 H new ATOM 0 HA VAL A 123 6.048 -8.467 -3.755 1.00 0.00 H new ATOM 0 HB VAL A 123 8.465 -9.861 -3.354 1.00 0.00 H new ATOM 0 HG11 VAL A 123 8.385 -10.154 -5.808 1.00 0.00 H new ATOM 0 HG12 VAL A 123 6.779 -10.341 -5.064 1.00 0.00 H new ATOM 0 HG13 VAL A 123 7.194 -8.835 -5.917 1.00 0.00 H new ATOM 0 HG21 VAL A 123 10.070 -8.676 -4.797 1.00 0.00 H new ATOM 0 HG22 VAL A 123 8.966 -7.281 -4.868 1.00 0.00 H new ATOM 0 HG23 VAL A 123 9.699 -7.759 -3.318 1.00 0.00 H new ATOM 723 N PRO A 124 5.864 -9.701 -1.595 1.00 0.00 N ATOM 724 CA PRO A 124 5.691 -10.396 -0.330 1.00 0.00 C ATOM 725 C PRO A 124 6.883 -11.300 -0.036 1.00 0.00 C ATOM 726 O PRO A 124 7.120 -12.288 -0.735 1.00 0.00 O ATOM 727 CB PRO A 124 4.412 -11.218 -0.535 1.00 0.00 C ATOM 728 CG PRO A 124 4.229 -11.299 -2.013 1.00 0.00 C ATOM 729 CD PRO A 124 4.802 -10.027 -2.561 1.00 0.00 C ATOM 0 HA PRO A 124 5.621 -9.715 0.518 1.00 0.00 H new ATOM 0 HB2 PRO A 124 4.508 -12.211 -0.096 1.00 0.00 H new ATOM 0 HB3 PRO A 124 3.556 -10.740 -0.058 1.00 0.00 H new ATOM 0 HG2 PRO A 124 4.741 -12.169 -2.424 1.00 0.00 H new ATOM 0 HG3 PRO A 124 3.175 -11.398 -2.273 1.00 0.00 H new ATOM 0 HD2 PRO A 124 5.199 -10.163 -3.567 1.00 0.00 H new ATOM 0 HD3 PRO A 124 4.052 -9.238 -2.618 1.00 0.00 H new ATOM 737 N GLY A 125 7.651 -10.940 0.977 1.00 0.00 N ATOM 738 CA GLY A 125 8.828 -11.707 1.317 1.00 0.00 C ATOM 739 C GLY A 125 10.107 -10.955 1.005 1.00 0.00 C ATOM 740 O GLY A 125 11.202 -11.428 1.301 1.00 0.00 O ATOM 0 H GLY A 125 7.480 -10.129 1.571 1.00 0.00 H new ATOM 0 HA2 GLY A 125 8.804 -11.956 2.378 1.00 0.00 H new ATOM 0 HA3 GLY A 125 8.818 -12.648 0.768 1.00 0.00 H new ATOM 744 N ASP A 126 9.970 -9.781 0.398 1.00 0.00 N ATOM 745 CA ASP A 126 11.121 -8.939 0.101 1.00 0.00 C ATOM 746 C ASP A 126 10.931 -7.556 0.709 1.00 0.00 C ATOM 747 O ASP A 126 9.922 -7.296 1.366 1.00 0.00 O ATOM 748 CB ASP A 126 11.353 -8.827 -1.407 1.00 0.00 C ATOM 749 CG ASP A 126 12.829 -8.876 -1.759 1.00 0.00 C ATOM 750 OD1 ASP A 126 13.574 -7.962 -1.351 1.00 0.00 O ATOM 751 OD2 ASP A 126 13.252 -9.835 -2.436 1.00 0.00 O ATOM 0 H ASP A 126 9.074 -9.392 0.103 1.00 0.00 H new ATOM 0 HA ASP A 126 12.002 -9.405 0.543 1.00 0.00 H new ATOM 0 HB2 ASP A 126 10.832 -9.638 -1.916 1.00 0.00 H new ATOM 0 HB3 ASP A 126 10.924 -7.894 -1.772 1.00 0.00 H new ATOM 756 N ARG A 127 11.888 -6.676 0.473 1.00 0.00 N ATOM 757 CA ARG A 127 11.913 -5.376 1.131 1.00 0.00 C ATOM 758 C ARG A 127 11.170 -4.308 0.334 1.00 0.00 C ATOM 759 O ARG A 127 11.102 -4.356 -0.896 1.00 0.00 O ATOM 760 CB ARG A 127 13.354 -4.920 1.362 1.00 0.00 C ATOM 761 CG ARG A 127 14.346 -6.059 1.540 1.00 0.00 C ATOM 762 CD ARG A 127 15.532 -5.907 0.608 1.00 0.00 C ATOM 763 NE ARG A 127 15.826 -7.147 -0.102 1.00 0.00 N ATOM 764 CZ ARG A 127 16.954 -7.832 0.045 1.00 0.00 C ATOM 765 NH1 ARG A 127 17.916 -7.368 0.834 1.00 0.00 N ATOM 766 NH2 ARG A 127 17.132 -8.966 -0.620 1.00 0.00 N ATOM 0 H ARG A 127 12.662 -6.836 -0.172 1.00 0.00 H new ATOM 0 HA ARG A 127 11.404 -5.499 2.087 1.00 0.00 H new ATOM 0 HB2 ARG A 127 13.669 -4.307 0.518 1.00 0.00 H new ATOM 0 HB3 ARG A 127 13.385 -4.284 2.247 1.00 0.00 H new ATOM 0 HG2 ARG A 127 14.693 -6.084 2.573 1.00 0.00 H new ATOM 0 HG3 ARG A 127 13.849 -7.010 1.348 1.00 0.00 H new ATOM 0 HD2 ARG A 127 15.329 -5.115 -0.113 1.00 0.00 H new ATOM 0 HD3 ARG A 127 16.407 -5.600 1.181 1.00 0.00 H new ATOM 0 HE ARG A 127 15.125 -7.509 -0.748 1.00 0.00 H new ATOM 0 HH11 ARG A 127 17.789 -6.485 1.328 1.00 0.00 H new ATOM 0 HH12 ARG A 127 18.782 -7.895 0.946 1.00 0.00 H new ATOM 0 HH21 ARG A 127 16.403 -9.311 -1.244 1.00 0.00 H new ATOM 0 HH22 ARG A 127 17.998 -9.493 -0.508 1.00 0.00 H new ATOM 780 N PHE A 128 10.613 -3.354 1.063 1.00 0.00 N ATOM 781 CA PHE A 128 10.006 -2.160 0.493 1.00 0.00 C ATOM 782 C PHE A 128 10.264 -0.986 1.435 1.00 0.00 C ATOM 783 O PHE A 128 10.335 -1.174 2.650 1.00 0.00 O ATOM 784 CB PHE A 128 8.497 -2.369 0.278 1.00 0.00 C ATOM 785 CG PHE A 128 7.641 -2.066 1.481 1.00 0.00 C ATOM 786 CD1 PHE A 128 7.504 -2.993 2.504 1.00 0.00 C ATOM 787 CD2 PHE A 128 6.970 -0.857 1.585 1.00 0.00 C ATOM 788 CE1 PHE A 128 6.716 -2.720 3.604 1.00 0.00 C ATOM 789 CE2 PHE A 128 6.181 -0.580 2.685 1.00 0.00 C ATOM 790 CZ PHE A 128 6.053 -1.512 3.695 1.00 0.00 C ATOM 0 H PHE A 128 10.569 -3.387 2.082 1.00 0.00 H new ATOM 0 HA PHE A 128 10.449 -1.950 -0.481 1.00 0.00 H new ATOM 0 HB2 PHE A 128 8.171 -1.740 -0.550 1.00 0.00 H new ATOM 0 HB3 PHE A 128 8.326 -3.403 -0.021 1.00 0.00 H new ATOM 0 HD1 PHE A 128 8.020 -3.940 2.439 1.00 0.00 H new ATOM 0 HD2 PHE A 128 7.065 -0.124 0.798 1.00 0.00 H new ATOM 0 HE1 PHE A 128 6.618 -3.451 4.393 1.00 0.00 H new ATOM 0 HE2 PHE A 128 5.664 0.366 2.754 1.00 0.00 H new ATOM 0 HZ PHE A 128 5.436 -1.297 4.555 1.00 0.00 H new ATOM 800 N HIS A 129 10.419 0.212 0.892 1.00 0.00 N ATOM 801 CA HIS A 129 10.742 1.367 1.720 1.00 0.00 C ATOM 802 C HIS A 129 9.586 2.359 1.747 1.00 0.00 C ATOM 803 O HIS A 129 9.236 2.957 0.728 1.00 0.00 O ATOM 804 CB HIS A 129 12.012 2.057 1.212 1.00 0.00 C ATOM 805 CG HIS A 129 13.279 1.334 1.563 1.00 0.00 C ATOM 806 ND1 HIS A 129 13.834 1.409 2.822 1.00 0.00 N ATOM 807 CD2 HIS A 129 14.054 0.544 0.786 1.00 0.00 C ATOM 808 CE1 HIS A 129 14.928 0.661 2.779 1.00 0.00 C ATOM 809 NE2 HIS A 129 15.098 0.121 1.566 1.00 0.00 N ATOM 0 H HIS A 129 10.328 0.410 -0.104 1.00 0.00 H new ATOM 0 HA HIS A 129 10.916 1.011 2.735 1.00 0.00 H new ATOM 0 HB2 HIS A 129 11.951 2.157 0.128 1.00 0.00 H new ATOM 0 HB3 HIS A 129 12.055 3.066 1.623 1.00 0.00 H new ATOM 0 HD2 HIS A 129 13.883 0.294 -0.251 1.00 0.00 H new ATOM 0 HE1 HIS A 129 15.595 0.507 3.614 1.00 0.00 H new ATOM 0 HE2 HIS A 129 15.861 -0.491 1.277 1.00 0.00 H new ATOM 817 N TYR A 130 8.984 2.516 2.916 1.00 0.00 N ATOM 818 CA TYR A 130 7.936 3.499 3.110 1.00 0.00 C ATOM 819 C TYR A 130 8.562 4.789 3.616 1.00 0.00 C ATOM 820 O TYR A 130 8.882 4.914 4.797 1.00 0.00 O ATOM 821 CB TYR A 130 6.908 2.968 4.118 1.00 0.00 C ATOM 822 CG TYR A 130 5.508 3.507 3.936 1.00 0.00 C ATOM 823 CD1 TYR A 130 4.826 3.352 2.736 1.00 0.00 C ATOM 824 CD2 TYR A 130 4.860 4.164 4.977 1.00 0.00 C ATOM 825 CE1 TYR A 130 3.541 3.834 2.577 1.00 0.00 C ATOM 826 CE2 TYR A 130 3.573 4.644 4.825 1.00 0.00 C ATOM 827 CZ TYR A 130 2.920 4.480 3.623 1.00 0.00 C ATOM 828 OH TYR A 130 1.639 4.961 3.468 1.00 0.00 O ATOM 0 H TYR A 130 9.207 1.970 3.748 1.00 0.00 H new ATOM 0 HA TYR A 130 7.424 3.692 2.167 1.00 0.00 H new ATOM 0 HB2 TYR A 130 6.876 1.881 4.045 1.00 0.00 H new ATOM 0 HB3 TYR A 130 7.248 3.210 5.125 1.00 0.00 H new ATOM 0 HD1 TYR A 130 5.309 2.846 1.913 1.00 0.00 H new ATOM 0 HD2 TYR A 130 5.371 4.301 5.919 1.00 0.00 H new ATOM 0 HE1 TYR A 130 3.026 3.705 1.637 1.00 0.00 H new ATOM 0 HE2 TYR A 130 3.081 5.146 5.645 1.00 0.00 H new ATOM 0 HH TYR A 130 1.347 5.389 4.300 1.00 0.00 H new ATOM 838 N ILE A 131 8.734 5.747 2.717 1.00 0.00 N ATOM 839 CA ILE A 131 9.382 7.003 3.064 1.00 0.00 C ATOM 840 C ILE A 131 8.379 8.138 2.997 1.00 0.00 C ATOM 841 O ILE A 131 7.847 8.435 1.930 1.00 0.00 O ATOM 842 CB ILE A 131 10.574 7.316 2.131 1.00 0.00 C ATOM 843 CG1 ILE A 131 11.539 6.123 2.066 1.00 0.00 C ATOM 844 CG2 ILE A 131 11.299 8.577 2.594 1.00 0.00 C ATOM 845 CD1 ILE A 131 12.247 5.827 3.375 1.00 0.00 C ATOM 0 H ILE A 131 8.435 5.679 1.744 1.00 0.00 H new ATOM 0 HA ILE A 131 9.766 6.902 4.079 1.00 0.00 H new ATOM 0 HB ILE A 131 10.188 7.494 1.127 1.00 0.00 H new ATOM 0 HG12 ILE A 131 10.984 5.237 1.757 1.00 0.00 H new ATOM 0 HG13 ILE A 131 12.287 6.316 1.296 1.00 0.00 H new ATOM 0 HG21 ILE A 131 12.135 8.782 1.926 1.00 0.00 H new ATOM 0 HG22 ILE A 131 10.608 9.420 2.580 1.00 0.00 H new ATOM 0 HG23 ILE A 131 11.672 8.431 3.608 1.00 0.00 H new ATOM 0 HD11 ILE A 131 12.910 4.971 3.245 1.00 0.00 H new ATOM 0 HD12 ILE A 131 12.832 6.696 3.677 1.00 0.00 H new ATOM 0 HD13 ILE A 131 11.509 5.601 4.145 1.00 0.00 H new ATOM 857 N ASN A 132 8.105 8.744 4.154 1.00 0.00 N ATOM 858 CA ASN A 132 7.158 9.859 4.259 1.00 0.00 C ATOM 859 C ASN A 132 5.797 9.488 3.672 1.00 0.00 C ATOM 860 O ASN A 132 5.128 10.319 3.055 1.00 0.00 O ATOM 861 CB ASN A 132 7.707 11.112 3.564 1.00 0.00 C ATOM 862 CG ASN A 132 7.264 12.392 4.258 1.00 0.00 C ATOM 863 OD1 ASN A 132 7.273 12.478 5.487 1.00 0.00 O ATOM 864 ND2 ASN A 132 6.878 13.394 3.481 1.00 0.00 N ATOM 0 H ASN A 132 8.531 8.478 5.042 1.00 0.00 H new ATOM 0 HA ASN A 132 7.027 10.076 5.319 1.00 0.00 H new ATOM 0 HB2 ASN A 132 8.796 11.068 3.546 1.00 0.00 H new ATOM 0 HB3 ASN A 132 7.371 11.127 2.527 1.00 0.00 H new ATOM 0 HD21 ASN A 132 6.575 14.274 3.897 1.00 0.00 H new ATOM 0 HD22 ASN A 132 6.884 13.285 2.467 1.00 0.00 H new ATOM 871 N GLY A 133 5.402 8.229 3.850 1.00 0.00 N ATOM 872 CA GLY A 133 4.104 7.782 3.374 1.00 0.00 C ATOM 873 C GLY A 133 4.094 7.470 1.889 1.00 0.00 C ATOM 874 O GLY A 133 3.064 7.605 1.226 1.00 0.00 O ATOM 0 H GLY A 133 5.958 7.511 4.315 1.00 0.00 H new ATOM 0 HA2 GLY A 133 3.806 6.892 3.929 1.00 0.00 H new ATOM 0 HA3 GLY A 133 3.361 8.552 3.583 1.00 0.00 H new ATOM 878 N SER A 134 5.234 7.038 1.366 1.00 0.00 N ATOM 879 CA SER A 134 5.336 6.704 -0.045 1.00 0.00 C ATOM 880 C SER A 134 6.056 5.373 -0.210 1.00 0.00 C ATOM 881 O SER A 134 6.944 5.044 0.575 1.00 0.00 O ATOM 882 CB SER A 134 6.078 7.804 -0.812 1.00 0.00 C ATOM 883 OG SER A 134 6.121 9.017 -0.075 1.00 0.00 O ATOM 0 H SER A 134 6.096 6.912 1.896 1.00 0.00 H new ATOM 0 HA SER A 134 4.330 6.621 -0.456 1.00 0.00 H new ATOM 0 HB2 SER A 134 7.094 7.474 -1.031 1.00 0.00 H new ATOM 0 HB3 SER A 134 5.586 7.976 -1.769 1.00 0.00 H new ATOM 0 HG SER A 134 6.739 8.920 0.679 1.00 0.00 H new ATOM 889 N LEU A 135 5.671 4.612 -1.224 1.00 0.00 N ATOM 890 CA LEU A 135 6.251 3.298 -1.451 1.00 0.00 C ATOM 891 C LEU A 135 7.390 3.375 -2.460 1.00 0.00 C ATOM 892 O LEU A 135 7.196 3.798 -3.602 1.00 0.00 O ATOM 893 CB LEU A 135 5.175 2.324 -1.936 1.00 0.00 C ATOM 894 CG LEU A 135 3.914 2.286 -1.071 1.00 0.00 C ATOM 895 CD1 LEU A 135 2.676 2.052 -1.920 1.00 0.00 C ATOM 896 CD2 LEU A 135 4.038 1.215 -0.001 1.00 0.00 C ATOM 0 H LEU A 135 4.959 4.883 -1.902 1.00 0.00 H new ATOM 0 HA LEU A 135 6.657 2.934 -0.507 1.00 0.00 H new ATOM 0 HB2 LEU A 135 4.893 2.592 -2.954 1.00 0.00 H new ATOM 0 HB3 LEU A 135 5.602 1.322 -1.977 1.00 0.00 H new ATOM 0 HG LEU A 135 3.808 3.255 -0.583 1.00 0.00 H new ATOM 0 HD11 LEU A 135 1.794 2.030 -1.279 1.00 0.00 H new ATOM 0 HD12 LEU A 135 2.576 2.858 -2.647 1.00 0.00 H new ATOM 0 HD13 LEU A 135 2.768 1.100 -2.444 1.00 0.00 H new ATOM 0 HD21 LEU A 135 3.133 1.201 0.606 1.00 0.00 H new ATOM 0 HD22 LEU A 135 4.173 0.242 -0.474 1.00 0.00 H new ATOM 0 HD23 LEU A 135 4.897 1.433 0.634 1.00 0.00 H new ATOM 908 N PHE A 136 8.578 2.999 -2.015 1.00 0.00 N ATOM 909 CA PHE A 136 9.748 2.951 -2.877 1.00 0.00 C ATOM 910 C PHE A 136 10.398 1.579 -2.793 1.00 0.00 C ATOM 911 O PHE A 136 10.186 0.840 -1.826 1.00 0.00 O ATOM 912 CB PHE A 136 10.760 4.026 -2.471 1.00 0.00 C ATOM 913 CG PHE A 136 10.229 5.428 -2.577 1.00 0.00 C ATOM 914 CD1 PHE A 136 9.931 5.976 -3.815 1.00 0.00 C ATOM 915 CD2 PHE A 136 10.032 6.200 -1.441 1.00 0.00 C ATOM 916 CE1 PHE A 136 9.445 7.263 -3.921 1.00 0.00 C ATOM 917 CE2 PHE A 136 9.544 7.491 -1.540 1.00 0.00 C ATOM 918 CZ PHE A 136 9.250 8.023 -2.782 1.00 0.00 C ATOM 0 H PHE A 136 8.758 2.720 -1.051 1.00 0.00 H new ATOM 0 HA PHE A 136 9.429 3.139 -3.902 1.00 0.00 H new ATOM 0 HB2 PHE A 136 11.077 3.844 -1.444 1.00 0.00 H new ATOM 0 HB3 PHE A 136 11.646 3.934 -3.100 1.00 0.00 H new ATOM 0 HD1 PHE A 136 10.081 5.388 -4.708 1.00 0.00 H new ATOM 0 HD2 PHE A 136 10.262 5.789 -0.469 1.00 0.00 H new ATOM 0 HE1 PHE A 136 9.217 7.676 -4.892 1.00 0.00 H new ATOM 0 HE2 PHE A 136 9.393 8.082 -0.649 1.00 0.00 H new ATOM 0 HZ PHE A 136 8.869 9.030 -2.863 1.00 0.00 H new ATOM 928 N CYS A 137 11.192 1.244 -3.795 1.00 0.00 N ATOM 929 CA CYS A 137 11.854 -0.044 -3.844 1.00 0.00 C ATOM 930 C CYS A 137 13.314 0.089 -3.409 1.00 0.00 C ATOM 931 O CYS A 137 13.828 1.202 -3.264 1.00 0.00 O ATOM 932 CB CYS A 137 11.782 -0.596 -5.267 1.00 0.00 C ATOM 933 SG CYS A 137 12.934 0.224 -6.416 1.00 0.00 S ATOM 0 H CYS A 137 11.393 1.852 -4.589 1.00 0.00 H new ATOM 0 HA CYS A 137 11.352 -0.729 -3.161 1.00 0.00 H new ATOM 0 HB2 CYS A 137 11.999 -1.664 -5.247 1.00 0.00 H new ATOM 0 HB3 CYS A 137 10.765 -0.484 -5.642 1.00 0.00 H new ATOM 0 HG CYS A 137 12.386 0.310 -7.592 1.00 0.00 H new ATOM 938 N GLU A 138 13.973 -1.046 -3.211 1.00 0.00 N ATOM 939 CA GLU A 138 15.401 -1.063 -2.901 1.00 0.00 C ATOM 940 C GLU A 138 16.220 -0.836 -4.169 1.00 0.00 C ATOM 941 O GLU A 138 17.400 -0.484 -4.114 1.00 0.00 O ATOM 942 CB GLU A 138 15.797 -2.390 -2.253 1.00 0.00 C ATOM 943 CG GLU A 138 15.482 -2.458 -0.768 1.00 0.00 C ATOM 944 CD GLU A 138 16.721 -2.357 0.101 1.00 0.00 C ATOM 945 OE1 GLU A 138 17.097 -1.225 0.472 1.00 0.00 O ATOM 946 OE2 GLU A 138 17.310 -3.410 0.417 1.00 0.00 O ATOM 0 H GLU A 138 13.542 -1.969 -3.259 1.00 0.00 H new ATOM 0 HA GLU A 138 15.608 -0.258 -2.196 1.00 0.00 H new ATOM 0 HB2 GLU A 138 15.280 -3.203 -2.763 1.00 0.00 H new ATOM 0 HB3 GLU A 138 16.865 -2.551 -2.397 1.00 0.00 H new ATOM 0 HG2 GLU A 138 14.796 -1.651 -0.510 1.00 0.00 H new ATOM 0 HG3 GLU A 138 14.968 -3.395 -0.553 1.00 0.00 H new ATOM 953 N HIS A 139 15.574 -1.033 -5.313 1.00 0.00 N ATOM 954 CA HIS A 139 16.213 -0.847 -6.610 1.00 0.00 C ATOM 955 C HIS A 139 16.344 0.642 -6.895 1.00 0.00 C ATOM 956 O HIS A 139 17.171 1.076 -7.701 1.00 0.00 O ATOM 957 CB HIS A 139 15.387 -1.547 -7.703 1.00 0.00 C ATOM 958 CG HIS A 139 16.206 -2.408 -8.622 1.00 0.00 C ATOM 959 ND1 HIS A 139 15.993 -2.422 -9.983 1.00 0.00 N ATOM 960 CD2 HIS A 139 17.209 -3.273 -8.326 1.00 0.00 C ATOM 961 CE1 HIS A 139 16.864 -3.286 -10.477 1.00 0.00 C ATOM 962 NE2 HIS A 139 17.621 -3.827 -9.513 1.00 0.00 N ATOM 0 H HIS A 139 14.598 -1.325 -5.367 1.00 0.00 H new ATOM 0 HA HIS A 139 17.209 -1.290 -6.601 1.00 0.00 H new ATOM 0 HB2 HIS A 139 14.622 -2.162 -7.229 1.00 0.00 H new ATOM 0 HB3 HIS A 139 14.868 -0.792 -8.294 1.00 0.00 H new ATOM 0 HD2 HIS A 139 17.607 -3.485 -7.345 1.00 0.00 H new ATOM 0 HE1 HIS A 139 16.954 -3.525 -11.526 1.00 0.00 H new ATOM 0 HE2 HIS A 139 18.361 -4.518 -9.637 1.00 0.00 H new ATOM 970 N ASP A 140 15.521 1.412 -6.201 1.00 0.00 N ATOM 971 CA ASP A 140 15.513 2.857 -6.308 1.00 0.00 C ATOM 972 C ASP A 140 16.190 3.473 -5.091 1.00 0.00 C ATOM 973 O ASP A 140 17.275 4.039 -5.205 1.00 0.00 O ATOM 974 CB ASP A 140 14.074 3.364 -6.428 1.00 0.00 C ATOM 975 CG ASP A 140 13.726 3.749 -7.848 1.00 0.00 C ATOM 976 OD1 ASP A 140 14.188 4.831 -8.296 1.00 0.00 O ATOM 977 OD2 ASP A 140 13.013 2.978 -8.543 1.00 0.00 O ATOM 0 H ASP A 140 14.834 1.045 -5.542 1.00 0.00 H new ATOM 0 HA ASP A 140 16.064 3.151 -7.201 1.00 0.00 H new ATOM 0 HB2 ASP A 140 13.387 2.591 -6.083 1.00 0.00 H new ATOM 0 HB3 ASP A 140 13.938 4.226 -5.775 1.00 0.00 H new ATOM 982 N ARG A 141 15.544 3.328 -3.928 1.00 0.00 N ATOM 983 CA ARG A 141 16.057 3.831 -2.650 1.00 0.00 C ATOM 984 C ARG A 141 16.430 5.314 -2.715 1.00 0.00 C ATOM 985 O ARG A 141 17.574 5.660 -3.014 1.00 0.00 O ATOM 986 CB ARG A 141 17.257 3.000 -2.201 1.00 0.00 C ATOM 987 CG ARG A 141 17.035 2.285 -0.880 1.00 0.00 C ATOM 988 CD ARG A 141 18.329 1.692 -0.343 1.00 0.00 C ATOM 989 NE ARG A 141 18.825 2.410 0.838 1.00 0.00 N ATOM 990 CZ ARG A 141 19.935 3.153 0.851 1.00 0.00 C ATOM 991 NH1 ARG A 141 20.701 3.234 -0.230 1.00 0.00 N ATOM 992 NH2 ARG A 141 20.299 3.788 1.961 1.00 0.00 N ATOM 0 H ARG A 141 14.644 2.855 -3.848 1.00 0.00 H new ATOM 0 HA ARG A 141 15.255 3.735 -1.918 1.00 0.00 H new ATOM 0 HB2 ARG A 141 17.487 2.263 -2.970 1.00 0.00 H new ATOM 0 HB3 ARG A 141 18.127 3.650 -2.112 1.00 0.00 H new ATOM 0 HG2 ARG A 141 16.624 2.984 -0.151 1.00 0.00 H new ATOM 0 HG3 ARG A 141 16.298 1.493 -1.013 1.00 0.00 H new ATOM 0 HD2 ARG A 141 18.167 0.645 -0.087 1.00 0.00 H new ATOM 0 HD3 ARG A 141 19.088 1.715 -1.125 1.00 0.00 H new ATOM 0 HE ARG A 141 18.288 2.337 1.702 1.00 0.00 H new ATOM 0 HH11 ARG A 141 20.443 2.727 -1.077 1.00 0.00 H new ATOM 0 HH12 ARG A 141 21.547 3.803 -0.214 1.00 0.00 H new ATOM 0 HH21 ARG A 141 19.730 3.708 2.804 1.00 0.00 H new ATOM 0 HH22 ARG A 141 21.147 4.355 1.969 1.00 0.00 H new ATOM 1006 N PRO A 142 15.465 6.207 -2.417 1.00 0.00 N ATOM 1007 CA PRO A 142 15.683 7.660 -2.440 1.00 0.00 C ATOM 1008 C PRO A 142 16.801 8.094 -1.502 1.00 0.00 C ATOM 1009 O PRO A 142 16.600 8.235 -0.295 1.00 0.00 O ATOM 1010 CB PRO A 142 14.342 8.241 -1.979 1.00 0.00 C ATOM 1011 CG PRO A 142 13.352 7.162 -2.245 1.00 0.00 C ATOM 1012 CD PRO A 142 14.084 5.870 -2.038 1.00 0.00 C ATOM 0 HA PRO A 142 15.989 8.004 -3.428 1.00 0.00 H new ATOM 0 HB2 PRO A 142 14.367 8.504 -0.921 1.00 0.00 H new ATOM 0 HB3 PRO A 142 14.094 9.150 -2.528 1.00 0.00 H new ATOM 0 HG2 PRO A 142 12.499 7.240 -1.571 1.00 0.00 H new ATOM 0 HG3 PRO A 142 12.962 7.231 -3.261 1.00 0.00 H new ATOM 0 HD2 PRO A 142 14.021 5.532 -1.004 1.00 0.00 H new ATOM 0 HD3 PRO A 142 13.678 5.072 -2.660 1.00 0.00 H new ATOM 1020 N THR A 143 17.976 8.313 -2.069 1.00 0.00 N ATOM 1021 CA THR A 143 19.160 8.657 -1.303 1.00 0.00 C ATOM 1022 C THR A 143 19.078 10.071 -0.728 1.00 0.00 C ATOM 1023 O THR A 143 19.682 10.365 0.304 1.00 0.00 O ATOM 1024 CB THR A 143 20.411 8.528 -2.189 1.00 0.00 C ATOM 1025 OG1 THR A 143 20.026 8.074 -3.498 1.00 0.00 O ATOM 1026 CG2 THR A 143 21.404 7.551 -1.578 1.00 0.00 C ATOM 0 H THR A 143 18.135 8.257 -3.075 1.00 0.00 H new ATOM 0 HA THR A 143 19.225 7.962 -0.466 1.00 0.00 H new ATOM 0 HB THR A 143 20.889 9.505 -2.264 1.00 0.00 H new ATOM 0 HG1 THR A 143 20.822 7.993 -4.064 1.00 0.00 H new ATOM 0 HG21 THR A 143 22.281 7.474 -2.220 1.00 0.00 H new ATOM 0 HG22 THR A 143 21.705 7.907 -0.593 1.00 0.00 H new ATOM 0 HG23 THR A 143 20.938 6.570 -1.482 1.00 0.00 H new ATOM 1034 N ALA A 144 18.316 10.933 -1.394 1.00 0.00 N ATOM 1035 CA ALA A 144 18.194 12.331 -0.992 1.00 0.00 C ATOM 1036 C ALA A 144 17.574 12.469 0.396 1.00 0.00 C ATOM 1037 O ALA A 144 17.992 13.311 1.192 1.00 0.00 O ATOM 1038 CB ALA A 144 17.370 13.102 -2.012 1.00 0.00 C ATOM 0 H ALA A 144 17.770 10.686 -2.220 1.00 0.00 H new ATOM 0 HA ALA A 144 19.199 12.750 -0.949 1.00 0.00 H new ATOM 0 HB1 ALA A 144 17.287 14.143 -1.700 1.00 0.00 H new ATOM 0 HB2 ALA A 144 17.857 13.053 -2.986 1.00 0.00 H new ATOM 0 HB3 ALA A 144 16.375 12.663 -2.082 1.00 0.00 H new ATOM 1044 N LEU A 145 16.574 11.643 0.681 1.00 0.00 N ATOM 1045 CA LEU A 145 15.885 11.688 1.963 1.00 0.00 C ATOM 1046 C LEU A 145 15.317 10.320 2.311 1.00 0.00 C ATOM 1047 O LEU A 145 14.190 9.994 1.945 1.00 0.00 O ATOM 1048 CB LEU A 145 14.765 12.734 1.937 1.00 0.00 C ATOM 1049 CG LEU A 145 15.059 14.021 2.712 1.00 0.00 C ATOM 1050 CD1 LEU A 145 13.905 15.000 2.574 1.00 0.00 C ATOM 1051 CD2 LEU A 145 15.332 13.722 4.180 1.00 0.00 C ATOM 0 H LEU A 145 16.222 10.933 0.039 1.00 0.00 H new ATOM 0 HA LEU A 145 16.607 11.971 2.729 1.00 0.00 H new ATOM 0 HB2 LEU A 145 14.555 12.993 0.899 1.00 0.00 H new ATOM 0 HB3 LEU A 145 13.859 12.283 2.342 1.00 0.00 H new ATOM 0 HG LEU A 145 15.954 14.476 2.287 1.00 0.00 H new ATOM 0 HD11 LEU A 145 14.131 15.909 3.131 1.00 0.00 H new ATOM 0 HD12 LEU A 145 13.760 15.246 1.522 1.00 0.00 H new ATOM 0 HD13 LEU A 145 12.995 14.548 2.970 1.00 0.00 H new ATOM 0 HD21 LEU A 145 15.538 14.653 4.709 1.00 0.00 H new ATOM 0 HD22 LEU A 145 14.460 13.239 4.621 1.00 0.00 H new ATOM 0 HD23 LEU A 145 16.194 13.060 4.262 1.00 0.00 H new ATOM 1063 N ILE A 146 16.105 9.522 3.014 1.00 0.00 N ATOM 1064 CA ILE A 146 15.678 8.185 3.408 1.00 0.00 C ATOM 1065 C ILE A 146 15.195 8.171 4.852 1.00 0.00 C ATOM 1066 O ILE A 146 15.566 7.294 5.631 1.00 0.00 O ATOM 1067 CB ILE A 146 16.809 7.139 3.251 1.00 0.00 C ATOM 1068 CG1 ILE A 146 18.110 7.802 2.788 1.00 0.00 C ATOM 1069 CG2 ILE A 146 16.395 6.053 2.270 1.00 0.00 C ATOM 1070 CD1 ILE A 146 19.271 7.587 3.729 1.00 0.00 C ATOM 0 H ILE A 146 17.043 9.775 3.324 1.00 0.00 H new ATOM 0 HA ILE A 146 14.860 7.916 2.740 1.00 0.00 H new ATOM 0 HB ILE A 146 16.986 6.685 4.226 1.00 0.00 H new ATOM 0 HG12 ILE A 146 18.375 7.414 1.804 1.00 0.00 H new ATOM 0 HG13 ILE A 146 17.941 8.873 2.673 1.00 0.00 H new ATOM 0 HG21 ILE A 146 17.201 5.326 2.171 1.00 0.00 H new ATOM 0 HG22 ILE A 146 15.499 5.553 2.637 1.00 0.00 H new ATOM 0 HG23 ILE A 146 16.188 6.500 1.298 1.00 0.00 H new ATOM 0 HD11 ILE A 146 20.156 8.086 3.334 1.00 0.00 H new ATOM 0 HD12 ILE A 146 19.028 8.001 4.708 1.00 0.00 H new ATOM 0 HD13 ILE A 146 19.468 6.519 3.825 1.00 0.00 H new ATOM 1146 N GLY A 207 15.873 -3.134 5.203 1.00 0.00 N ATOM 1147 CA GLY A 207 14.998 -4.002 4.455 1.00 0.00 C ATOM 1148 C GLY A 207 13.709 -4.307 5.189 1.00 0.00 C ATOM 1149 O GLY A 207 13.577 -5.361 5.813 1.00 0.00 O ATOM 0 HA2 GLY A 207 14.764 -3.537 3.497 1.00 0.00 H new ATOM 0 HA3 GLY A 207 15.517 -4.935 4.238 1.00 0.00 H new ATOM 1153 N SER A 208 12.765 -3.384 5.133 1.00 0.00 N ATOM 1154 CA SER A 208 11.446 -3.624 5.684 1.00 0.00 C ATOM 1155 C SER A 208 10.659 -4.534 4.744 1.00 0.00 C ATOM 1156 O SER A 208 10.422 -4.189 3.591 1.00 0.00 O ATOM 1157 CB SER A 208 10.731 -2.289 5.885 1.00 0.00 C ATOM 1158 OG SER A 208 11.675 -1.234 6.018 1.00 0.00 O ATOM 0 H SER A 208 12.888 -2.463 4.712 1.00 0.00 H new ATOM 0 HA SER A 208 11.528 -4.120 6.651 1.00 0.00 H new ATOM 0 HB2 SER A 208 10.073 -2.091 5.039 1.00 0.00 H new ATOM 0 HB3 SER A 208 10.102 -2.337 6.774 1.00 0.00 H new ATOM 0 HG SER A 208 11.201 -0.385 6.144 1.00 0.00 H new ATOM 1164 N ILE A 404 10.283 -5.703 5.231 1.00 0.00 N ATOM 1165 CA ILE A 404 9.635 -6.704 4.396 1.00 0.00 C ATOM 1166 C ILE A 404 8.150 -6.409 4.247 1.00 0.00 C ATOM 1167 O ILE A 404 7.492 -6.004 5.208 1.00 0.00 O ATOM 1168 CB ILE A 404 9.816 -8.117 4.998 1.00 0.00 C ATOM 1169 CG1 ILE A 404 11.286 -8.373 5.348 1.00 0.00 C ATOM 1170 CG2 ILE A 404 9.295 -9.186 4.047 1.00 0.00 C ATOM 1171 CD1 ILE A 404 12.219 -8.337 4.155 1.00 0.00 C ATOM 0 H ILE A 404 10.415 -5.985 6.202 1.00 0.00 H new ATOM 0 HA ILE A 404 10.105 -6.668 3.413 1.00 0.00 H new ATOM 0 HB ILE A 404 9.231 -8.169 5.916 1.00 0.00 H new ATOM 0 HG12 ILE A 404 11.611 -7.627 6.073 1.00 0.00 H new ATOM 0 HG13 ILE A 404 11.369 -9.346 5.832 1.00 0.00 H new ATOM 0 HG21 ILE A 404 9.434 -10.170 4.494 1.00 0.00 H new ATOM 0 HG22 ILE A 404 8.234 -9.020 3.859 1.00 0.00 H new ATOM 0 HG23 ILE A 404 9.843 -9.134 3.106 1.00 0.00 H new ATOM 0 HD11 ILE A 404 13.240 -8.527 4.486 1.00 0.00 H new ATOM 0 HD12 ILE A 404 11.922 -9.102 3.437 1.00 0.00 H new ATOM 0 HD13 ILE A 404 12.167 -7.356 3.682 1.00 0.00 H new ATOM 1183 N ALA A 405 7.640 -6.593 3.033 1.00 0.00 N ATOM 1184 CA ALA A 405 6.221 -6.425 2.763 1.00 0.00 C ATOM 1185 C ALA A 405 5.397 -7.355 3.650 1.00 0.00 C ATOM 1186 O ALA A 405 5.656 -8.560 3.706 1.00 0.00 O ATOM 1187 CB ALA A 405 5.927 -6.674 1.290 1.00 0.00 C ATOM 0 H ALA A 405 8.194 -6.860 2.219 1.00 0.00 H new ATOM 0 HA ALA A 405 5.940 -5.398 2.995 1.00 0.00 H new ATOM 0 HB1 ALA A 405 4.861 -6.544 1.105 1.00 0.00 H new ATOM 0 HB2 ALA A 405 6.490 -5.966 0.682 1.00 0.00 H new ATOM 0 HB3 ALA A 405 6.220 -7.691 1.027 1.00 0.00 H new ATOM 1193 N PRO A 406 4.392 -6.798 4.349 1.00 0.00 N ATOM 1194 CA PRO A 406 3.589 -7.534 5.340 1.00 0.00 C ATOM 1195 C PRO A 406 2.715 -8.632 4.737 1.00 0.00 C ATOM 1196 O PRO A 406 2.063 -9.374 5.474 1.00 0.00 O ATOM 1197 CB PRO A 406 2.698 -6.451 5.951 1.00 0.00 C ATOM 1198 CG PRO A 406 2.632 -5.377 4.921 1.00 0.00 C ATOM 1199 CD PRO A 406 3.965 -5.390 4.234 1.00 0.00 C ATOM 0 HA PRO A 406 4.235 -8.052 6.049 1.00 0.00 H new ATOM 0 HB2 PRO A 406 1.706 -6.840 6.180 1.00 0.00 H new ATOM 0 HB3 PRO A 406 3.117 -6.076 6.885 1.00 0.00 H new ATOM 0 HG2 PRO A 406 1.825 -5.563 4.213 1.00 0.00 H new ATOM 0 HG3 PRO A 406 2.437 -4.407 5.379 1.00 0.00 H new ATOM 0 HD2 PRO A 406 3.884 -5.078 3.193 1.00 0.00 H new ATOM 0 HD3 PRO A 406 4.672 -4.714 4.715 1.00 0.00 H new ATOM 1207 N PHE A 407 2.704 -8.706 3.404 1.00 0.00 N ATOM 1208 CA PHE A 407 1.891 -9.673 2.657 1.00 0.00 C ATOM 1209 C PHE A 407 0.441 -9.203 2.605 1.00 0.00 C ATOM 1210 O PHE A 407 0.007 -8.415 3.445 1.00 0.00 O ATOM 1211 CB PHE A 407 1.939 -11.079 3.287 1.00 0.00 C ATOM 1212 CG PHE A 407 3.111 -11.930 2.887 1.00 0.00 C ATOM 1213 CD1 PHE A 407 4.379 -11.668 3.379 1.00 0.00 C ATOM 1214 CD2 PHE A 407 2.935 -13.009 2.035 1.00 0.00 C ATOM 1215 CE1 PHE A 407 5.451 -12.462 3.026 1.00 0.00 C ATOM 1216 CE2 PHE A 407 4.003 -13.810 1.680 1.00 0.00 C ATOM 1217 CZ PHE A 407 5.262 -13.537 2.176 1.00 0.00 C ATOM 0 H PHE A 407 3.261 -8.094 2.808 1.00 0.00 H new ATOM 0 HA PHE A 407 2.307 -9.735 1.651 1.00 0.00 H new ATOM 0 HB2 PHE A 407 1.944 -10.972 4.372 1.00 0.00 H new ATOM 0 HB3 PHE A 407 1.023 -11.607 3.023 1.00 0.00 H new ATOM 0 HD1 PHE A 407 4.530 -10.833 4.047 1.00 0.00 H new ATOM 0 HD2 PHE A 407 1.952 -13.226 1.644 1.00 0.00 H new ATOM 0 HE1 PHE A 407 6.436 -12.245 3.413 1.00 0.00 H new ATOM 0 HE2 PHE A 407 3.853 -14.648 1.016 1.00 0.00 H new ATOM 0 HZ PHE A 407 6.099 -14.162 1.901 1.00 0.00 H new ATOM 1227 N PRO A 408 -0.326 -9.661 1.611 1.00 0.00 N ATOM 1228 CA PRO A 408 -1.744 -9.333 1.502 1.00 0.00 C ATOM 1229 C PRO A 408 -2.601 -10.139 2.481 1.00 0.00 C ATOM 1230 O PRO A 408 -2.505 -11.367 2.544 1.00 0.00 O ATOM 1231 CB PRO A 408 -2.099 -9.704 0.054 1.00 0.00 C ATOM 1232 CG PRO A 408 -0.814 -10.092 -0.603 1.00 0.00 C ATOM 1233 CD PRO A 408 0.114 -10.507 0.500 1.00 0.00 C ATOM 0 HA PRO A 408 -1.934 -8.287 1.742 1.00 0.00 H new ATOM 0 HB2 PRO A 408 -2.814 -10.526 0.027 1.00 0.00 H new ATOM 0 HB3 PRO A 408 -2.561 -8.862 -0.462 1.00 0.00 H new ATOM 0 HG2 PRO A 408 -0.969 -10.908 -1.309 1.00 0.00 H new ATOM 0 HG3 PRO A 408 -0.398 -9.257 -1.168 1.00 0.00 H new ATOM 0 HD2 PRO A 408 0.020 -11.567 0.734 1.00 0.00 H new ATOM 0 HD3 PRO A 408 1.158 -10.329 0.242 1.00 0.00 H new ATOM 1241 N GLU A 409 -3.431 -9.434 3.240 1.00 0.00 N ATOM 1242 CA GLU A 409 -4.362 -10.055 4.177 1.00 0.00 C ATOM 1243 C GLU A 409 -5.693 -9.311 4.144 1.00 0.00 C ATOM 1244 O GLU A 409 -5.831 -8.317 3.431 1.00 0.00 O ATOM 1245 CB GLU A 409 -3.802 -10.063 5.608 1.00 0.00 C ATOM 1246 CG GLU A 409 -2.608 -9.151 5.820 1.00 0.00 C ATOM 1247 CD GLU A 409 -2.124 -9.173 7.251 1.00 0.00 C ATOM 1248 OE1 GLU A 409 -1.753 -10.263 7.746 1.00 0.00 O ATOM 1249 OE2 GLU A 409 -2.137 -8.110 7.904 1.00 0.00 O ATOM 0 H GLU A 409 -3.478 -8.415 3.224 1.00 0.00 H new ATOM 0 HA GLU A 409 -4.510 -11.091 3.872 1.00 0.00 H new ATOM 0 HB2 GLU A 409 -4.594 -9.770 6.297 1.00 0.00 H new ATOM 0 HB3 GLU A 409 -3.516 -11.082 5.867 1.00 0.00 H new ATOM 0 HG2 GLU A 409 -1.797 -9.456 5.159 1.00 0.00 H new ATOM 0 HG3 GLU A 409 -2.877 -8.131 5.544 1.00 0.00 H new ATOM 1256 N ALA A 410 -6.667 -9.788 4.900 1.00 0.00 N ATOM 1257 CA ALA A 410 -7.975 -9.151 4.924 1.00 0.00 C ATOM 1258 C ALA A 410 -8.009 -8.020 5.943 1.00 0.00 C ATOM 1259 O ALA A 410 -7.682 -8.217 7.116 1.00 0.00 O ATOM 1260 CB ALA A 410 -9.062 -10.166 5.232 1.00 0.00 C ATOM 0 H ALA A 410 -6.580 -10.607 5.501 1.00 0.00 H new ATOM 0 HA ALA A 410 -8.161 -8.731 3.935 1.00 0.00 H new ATOM 0 HB1 ALA A 410 -10.032 -9.668 5.245 1.00 0.00 H new ATOM 0 HB2 ALA A 410 -9.063 -10.942 4.466 1.00 0.00 H new ATOM 0 HB3 ALA A 410 -8.873 -10.617 6.206 1.00 0.00 H new ATOM 1266 N ALA A 411 -8.392 -6.836 5.490 1.00 0.00 N ATOM 1267 CA ALA A 411 -8.522 -5.688 6.372 1.00 0.00 C ATOM 1268 C ALA A 411 -9.950 -5.592 6.904 1.00 0.00 C ATOM 1269 O ALA A 411 -10.581 -6.610 7.180 1.00 0.00 O ATOM 1270 CB ALA A 411 -8.137 -4.413 5.639 1.00 0.00 C ATOM 0 H ALA A 411 -8.619 -6.646 4.514 1.00 0.00 H new ATOM 0 HA ALA A 411 -7.846 -5.816 7.217 1.00 0.00 H new ATOM 0 HB1 ALA A 411 -8.239 -3.562 6.312 1.00 0.00 H new ATOM 0 HB2 ALA A 411 -7.104 -4.486 5.300 1.00 0.00 H new ATOM 0 HB3 ALA A 411 -8.792 -4.276 4.779 1.00 0.00 H new ATOM 1276 N LEU A 412 -10.458 -4.372 7.048 1.00 0.00 N ATOM 1277 CA LEU A 412 -11.827 -4.169 7.486 1.00 0.00 C ATOM 1278 C LEU A 412 -12.766 -4.234 6.288 1.00 0.00 C ATOM 1279 O LEU A 412 -12.666 -3.417 5.371 1.00 0.00 O ATOM 1280 CB LEU A 412 -11.963 -2.822 8.196 1.00 0.00 C ATOM 1281 CG LEU A 412 -11.174 -2.694 9.503 1.00 0.00 C ATOM 1282 CD1 LEU A 412 -10.821 -1.241 9.778 1.00 0.00 C ATOM 1283 CD2 LEU A 412 -11.970 -3.276 10.657 1.00 0.00 C ATOM 0 H LEU A 412 -9.940 -3.512 6.867 1.00 0.00 H new ATOM 0 HA LEU A 412 -12.095 -4.957 8.190 1.00 0.00 H new ATOM 0 HB2 LEU A 412 -11.638 -2.035 7.515 1.00 0.00 H new ATOM 0 HB3 LEU A 412 -13.018 -2.645 8.407 1.00 0.00 H new ATOM 0 HG LEU A 412 -10.246 -3.256 9.402 1.00 0.00 H new ATOM 0 HD11 LEU A 412 -10.261 -1.173 10.711 1.00 0.00 H new ATOM 0 HD12 LEU A 412 -10.213 -0.853 8.961 1.00 0.00 H new ATOM 0 HD13 LEU A 412 -11.736 -0.654 9.860 1.00 0.00 H new ATOM 0 HD21 LEU A 412 -11.398 -3.179 11.580 1.00 0.00 H new ATOM 0 HD22 LEU A 412 -12.913 -2.738 10.756 1.00 0.00 H new ATOM 0 HD23 LEU A 412 -12.172 -4.330 10.465 1.00 0.00 H new ATOM 1295 N PRO A 413 -13.671 -5.227 6.273 1.00 0.00 N ATOM 1296 CA PRO A 413 -14.609 -5.428 5.169 1.00 0.00 C ATOM 1297 C PRO A 413 -15.581 -4.267 5.000 1.00 0.00 C ATOM 1298 O PRO A 413 -15.878 -3.535 5.952 1.00 0.00 O ATOM 1299 CB PRO A 413 -15.370 -6.700 5.555 1.00 0.00 C ATOM 1300 CG PRO A 413 -14.534 -7.353 6.601 1.00 0.00 C ATOM 1301 CD PRO A 413 -13.847 -6.237 7.326 1.00 0.00 C ATOM 0 HA PRO A 413 -14.084 -5.501 4.216 1.00 0.00 H new ATOM 0 HB2 PRO A 413 -16.364 -6.464 5.936 1.00 0.00 H new ATOM 0 HB3 PRO A 413 -15.506 -7.354 4.694 1.00 0.00 H new ATOM 0 HG2 PRO A 413 -15.148 -7.942 7.282 1.00 0.00 H new ATOM 0 HG3 PRO A 413 -13.810 -8.034 6.154 1.00 0.00 H new ATOM 0 HD2 PRO A 413 -14.449 -5.860 8.152 1.00 0.00 H new ATOM 0 HD3 PRO A 413 -12.893 -6.554 7.746 1.00 0.00 H new ATOM 1309 N THR A 414 -16.077 -4.120 3.782 1.00 0.00 N ATOM 1310 CA THR A 414 -17.020 -3.067 3.452 1.00 0.00 C ATOM 1311 C THR A 414 -18.376 -3.308 4.118 1.00 0.00 C ATOM 1312 O THR A 414 -18.725 -4.445 4.438 1.00 0.00 O ATOM 1313 CB THR A 414 -17.205 -2.983 1.930 1.00 0.00 C ATOM 1314 OG1 THR A 414 -16.128 -3.674 1.278 1.00 0.00 O ATOM 1315 CG2 THR A 414 -17.247 -1.536 1.466 1.00 0.00 C ATOM 0 H THR A 414 -15.837 -4.726 2.997 1.00 0.00 H new ATOM 0 HA THR A 414 -16.614 -2.127 3.825 1.00 0.00 H new ATOM 0 HB THR A 414 -18.154 -3.451 1.669 1.00 0.00 H new ATOM 0 HG1 THR A 414 -16.246 -3.622 0.307 1.00 0.00 H new ATOM 0 HG21 THR A 414 -17.379 -1.504 0.384 1.00 0.00 H new ATOM 0 HG22 THR A 414 -18.079 -1.023 1.948 1.00 0.00 H new ATOM 0 HG23 THR A 414 -16.313 -1.041 1.732 1.00 0.00 H new ATOM 1323 N SER A 415 -19.123 -2.234 4.338 1.00 0.00 N ATOM 1324 CA SER A 415 -20.434 -2.331 4.955 1.00 0.00 C ATOM 1325 C SER A 415 -21.438 -2.999 4.016 1.00 0.00 C ATOM 1326 O SER A 415 -21.446 -2.740 2.811 1.00 0.00 O ATOM 1327 CB SER A 415 -20.914 -0.936 5.354 1.00 0.00 C ATOM 1328 OG SER A 415 -19.877 -0.223 6.017 1.00 0.00 O ATOM 0 H SER A 415 -18.840 -1.284 4.097 1.00 0.00 H new ATOM 0 HA SER A 415 -20.356 -2.953 5.847 1.00 0.00 H new ATOM 0 HB2 SER A 415 -21.232 -0.387 4.468 1.00 0.00 H new ATOM 0 HB3 SER A 415 -21.783 -1.017 6.007 1.00 0.00 H new ATOM 0 HG SER A 415 -20.200 0.669 6.264 1.00 0.00 H new