USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=21 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 180:sc= -0.222 USER MOD Set 1.2: A 415 SER OG : rot 180:sc= 0.0937 USER MOD Set 2.1: A 115 CYS SG : rot 147:sc= -0.209 USER MOD Set 2.2: A 118 CYS SG : rot -60:sc= 0.247! USER MOD Set 2.3: A 120 ASN : amide:sc= 1.12 K(o=-4.1,f=-4.9) USER MOD Set 2.4: A 137 CYS SG : rot -136:sc= -5.21! USER MOD Set 3.1: A 87 CYS SG : rot 130:sc= 1.44 USER MOD Set 3.2: A 90 CYS SG : rot -53:sc= 0.168 USER MOD Set 3.3: A 109 HIS : no HD1:sc= 0.76 K(o=-3.5,f=-7.8) USER MOD Set 3.4: A 112 CYS SG : rot 150:sc= -5.88! USER MOD Set 4.1: A 88 SER OG : rot -110:sc= 1.01 USER MOD Set 4.2: A 106 ASN : amide:sc= -0.18! C(o=3.2!,f=1.9!) USER MOD Set 4.3: A 108 TYR OH : rot 81:sc= 1.11 USER MOD Set 4.4: A 130 TYR OH : rot 32:sc= 1.23 USER MOD Single : A 83 ASN : amide:sc= -0.338 K(o=-0.34,f=-4!) USER MOD Single : A 92 GLN : amide:sc= -0.883! C(o=-0.88!,f=-2.1!) USER MOD Single : A 93 SER OG : rot 180:sc= 0.168 USER MOD Single : A 97 SER OG : rot 180:sc= 0.0436 USER MOD Single : A 101 MET CE :methyl 153:sc= -0.441 (180deg=-0.969) USER MOD Single : A 104 GLN : amide:sc= 0.052 X(o=0.052,f=0) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 THR OG1 : rot -93:sc= 0.784 USER MOD Single : A 116 SER OG : rot 73:sc= 1.22 USER MOD Single : A 117 THR OG1 : rot 147:sc= 1.22 USER MOD Single : A 129 HIS : no HD1:sc= 1.1 K(o=1.1,f=-3.6!) USER MOD Single : A 132 ASN : amide:sc= 0.511 K(o=0.51,f=0) USER MOD Single : A 134 SER OG : rot 79:sc= 0.13 USER MOD Single : A 139 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 143 THR OG1 : rot 180:sc= 0.129 USER MOD Single : A 208 SER OG : rot 180:sc= 0 USER MOD Single : A 414 THR OG1 : rot -70:sc= 1.9 USER MOD ----------------------------------------------------------------- ATOM 61 N ARG A 79 -15.956 8.396 -2.374 1.00 0.00 N ATOM 62 CA ARG A 79 -15.413 7.625 -3.486 1.00 0.00 C ATOM 63 C ARG A 79 -15.881 6.182 -3.406 1.00 0.00 C ATOM 64 O ARG A 79 -16.109 5.526 -4.425 1.00 0.00 O ATOM 65 CB ARG A 79 -13.885 7.689 -3.491 1.00 0.00 C ATOM 66 CG ARG A 79 -13.322 8.341 -4.739 1.00 0.00 C ATOM 67 CD ARG A 79 -11.922 7.837 -5.058 1.00 0.00 C ATOM 68 NE ARG A 79 -11.930 6.487 -5.628 1.00 0.00 N ATOM 69 CZ ARG A 79 -12.298 6.205 -6.876 1.00 0.00 C ATOM 70 NH1 ARG A 79 -12.673 7.181 -7.695 1.00 0.00 N ATOM 71 NH2 ARG A 79 -12.282 4.951 -7.307 1.00 0.00 N ATOM 0 HA ARG A 79 -15.778 8.060 -4.417 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -13.547 8.243 -2.615 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -13.485 6.679 -3.403 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -13.982 8.140 -5.583 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -13.297 9.422 -4.604 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -11.443 8.521 -5.759 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -11.322 7.841 -4.148 1.00 0.00 H new ATOM 0 HE ARG A 79 -11.635 5.715 -5.031 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -12.679 8.147 -7.368 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -12.955 6.964 -8.651 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -11.987 4.201 -6.682 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -12.564 4.737 -8.263 1.00 0.00 H new ATOM 85 N LEU A 80 -16.050 5.708 -2.186 1.00 0.00 N ATOM 86 CA LEU A 80 -16.503 4.353 -1.941 1.00 0.00 C ATOM 87 C LEU A 80 -18.000 4.359 -1.649 1.00 0.00 C ATOM 88 O LEU A 80 -18.541 5.373 -1.208 1.00 0.00 O ATOM 89 CB LEU A 80 -15.722 3.731 -0.783 1.00 0.00 C ATOM 90 CG LEU A 80 -16.181 4.116 0.620 1.00 0.00 C ATOM 91 CD1 LEU A 80 -15.812 3.018 1.595 1.00 0.00 C ATOM 92 CD2 LEU A 80 -15.563 5.440 1.041 1.00 0.00 C ATOM 0 H LEU A 80 -15.878 6.250 -1.339 1.00 0.00 H new ATOM 0 HA LEU A 80 -16.323 3.747 -2.829 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -15.776 2.646 -0.876 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -14.673 4.008 -0.889 1.00 0.00 H new ATOM 0 HG LEU A 80 -17.264 4.238 0.619 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -16.141 3.295 2.597 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -16.298 2.089 1.298 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -14.731 2.878 1.594 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -15.903 5.697 2.044 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -14.477 5.352 1.037 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -15.866 6.221 0.344 1.00 0.00 H new ATOM 104 N PHE A 81 -18.664 3.236 -1.897 1.00 0.00 N ATOM 105 CA PHE A 81 -20.113 3.148 -1.716 1.00 0.00 C ATOM 106 C PHE A 81 -20.479 3.113 -0.239 1.00 0.00 C ATOM 107 O PHE A 81 -20.903 4.120 0.331 1.00 0.00 O ATOM 108 CB PHE A 81 -20.668 1.911 -2.427 1.00 0.00 C ATOM 109 CG PHE A 81 -21.089 2.184 -3.840 1.00 0.00 C ATOM 110 CD1 PHE A 81 -22.307 2.790 -4.108 1.00 0.00 C ATOM 111 CD2 PHE A 81 -20.263 1.848 -4.899 1.00 0.00 C ATOM 112 CE1 PHE A 81 -22.696 3.049 -5.407 1.00 0.00 C ATOM 113 CE2 PHE A 81 -20.648 2.103 -6.201 1.00 0.00 C ATOM 114 CZ PHE A 81 -21.865 2.708 -6.455 1.00 0.00 C ATOM 0 H PHE A 81 -18.226 2.375 -2.223 1.00 0.00 H new ATOM 0 HA PHE A 81 -20.561 4.038 -2.158 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -19.910 1.128 -2.425 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -21.522 1.530 -1.867 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -22.959 3.063 -3.291 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -19.308 1.382 -4.705 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -23.649 3.518 -5.603 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -19.999 1.830 -7.020 1.00 0.00 H new ATOM 0 HZ PHE A 81 -22.165 2.913 -7.472 1.00 0.00 H new ATOM 124 N GLY A 82 -20.330 1.949 0.373 1.00 0.00 N ATOM 125 CA GLY A 82 -20.555 1.835 1.797 1.00 0.00 C ATOM 126 C GLY A 82 -19.386 2.386 2.580 1.00 0.00 C ATOM 127 O GLY A 82 -18.390 1.689 2.770 1.00 0.00 O ATOM 0 H GLY A 82 -20.058 1.082 -0.091 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -21.464 2.372 2.069 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -20.712 0.789 2.061 1.00 0.00 H new ATOM 131 N ASN A 83 -19.504 3.641 3.007 1.00 0.00 N ATOM 132 CA ASN A 83 -18.417 4.348 3.683 1.00 0.00 C ATOM 133 C ASN A 83 -17.932 3.595 4.923 1.00 0.00 C ATOM 134 O ASN A 83 -18.569 3.623 5.977 1.00 0.00 O ATOM 135 CB ASN A 83 -18.863 5.758 4.074 1.00 0.00 C ATOM 136 CG ASN A 83 -17.723 6.573 4.650 1.00 0.00 C ATOM 137 OD1 ASN A 83 -16.589 6.483 4.181 1.00 0.00 O ATOM 138 ND2 ASN A 83 -18.010 7.369 5.669 1.00 0.00 N ATOM 0 H ASN A 83 -20.353 4.196 2.895 1.00 0.00 H new ATOM 0 HA ASN A 83 -17.584 4.411 2.982 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -19.267 6.267 3.199 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -19.669 5.694 4.805 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -17.277 7.937 6.095 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -18.964 7.414 6.028 1.00 0.00 H new ATOM 145 N SER A 84 -16.816 2.892 4.776 1.00 0.00 N ATOM 146 CA SER A 84 -16.177 2.200 5.885 1.00 0.00 C ATOM 147 C SER A 84 -14.681 2.050 5.606 1.00 0.00 C ATOM 148 O SER A 84 -13.846 2.598 6.326 1.00 0.00 O ATOM 149 CB SER A 84 -16.817 0.820 6.113 1.00 0.00 C ATOM 150 OG SER A 84 -18.234 0.886 6.059 1.00 0.00 O ATOM 0 H SER A 84 -16.330 2.786 3.885 1.00 0.00 H new ATOM 0 HA SER A 84 -16.317 2.791 6.790 1.00 0.00 H new ATOM 0 HB2 SER A 84 -16.456 0.122 5.358 1.00 0.00 H new ATOM 0 HB3 SER A 84 -16.507 0.430 7.083 1.00 0.00 H new ATOM 0 HG SER A 84 -18.609 -0.007 6.206 1.00 0.00 H new ATOM 156 N GLY A 85 -14.353 1.327 4.535 1.00 0.00 N ATOM 157 CA GLY A 85 -12.962 1.124 4.175 1.00 0.00 C ATOM 158 C GLY A 85 -12.734 1.155 2.676 1.00 0.00 C ATOM 159 O GLY A 85 -13.278 0.332 1.935 1.00 0.00 O ATOM 0 H GLY A 85 -15.026 0.880 3.913 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -12.353 1.895 4.647 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -12.625 0.165 4.570 1.00 0.00 H new ATOM 163 N ALA A 86 -11.929 2.106 2.226 1.00 0.00 N ATOM 164 CA ALA A 86 -11.612 2.236 0.815 1.00 0.00 C ATOM 165 C ALA A 86 -10.122 2.486 0.626 1.00 0.00 C ATOM 166 O ALA A 86 -9.467 3.079 1.488 1.00 0.00 O ATOM 167 CB ALA A 86 -12.426 3.356 0.174 1.00 0.00 C ATOM 0 H ALA A 86 -11.482 2.802 2.823 1.00 0.00 H new ATOM 0 HA ALA A 86 -11.874 1.301 0.321 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -12.170 3.433 -0.883 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -13.489 3.137 0.275 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -12.201 4.300 0.671 1.00 0.00 H new ATOM 173 N CYS A 87 -9.605 2.012 -0.496 1.00 0.00 N ATOM 174 CA CYS A 87 -8.211 2.209 -0.869 1.00 0.00 C ATOM 175 C CYS A 87 -7.858 3.688 -0.923 1.00 0.00 C ATOM 176 O CYS A 87 -8.682 4.528 -1.280 1.00 0.00 O ATOM 177 CB CYS A 87 -7.963 1.589 -2.238 1.00 0.00 C ATOM 178 SG CYS A 87 -6.258 1.054 -2.581 1.00 0.00 S ATOM 0 H CYS A 87 -10.142 1.477 -1.178 1.00 0.00 H new ATOM 0 HA CYS A 87 -7.586 1.731 -0.115 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -8.621 0.727 -2.348 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -8.255 2.312 -3.000 1.00 0.00 H new ATOM 0 HG CYS A 87 -6.269 -0.164 -3.037 1.00 0.00 H new ATOM 183 N SER A 88 -6.632 3.996 -0.559 1.00 0.00 N ATOM 184 CA SER A 88 -6.123 5.342 -0.717 1.00 0.00 C ATOM 185 C SER A 88 -5.262 5.427 -1.977 1.00 0.00 C ATOM 186 O SER A 88 -4.756 6.494 -2.327 1.00 0.00 O ATOM 187 CB SER A 88 -5.327 5.752 0.519 1.00 0.00 C ATOM 188 OG SER A 88 -6.043 5.425 1.703 1.00 0.00 O ATOM 0 H SER A 88 -5.970 3.335 -0.153 1.00 0.00 H new ATOM 0 HA SER A 88 -6.959 6.033 -0.825 1.00 0.00 H new ATOM 0 HB2 SER A 88 -4.361 5.248 0.520 1.00 0.00 H new ATOM 0 HB3 SER A 88 -5.128 6.823 0.492 1.00 0.00 H new ATOM 0 HG SER A 88 -6.351 6.248 2.137 1.00 0.00 H new ATOM 194 N ALA A 89 -5.115 4.289 -2.660 1.00 0.00 N ATOM 195 CA ALA A 89 -4.337 4.227 -3.888 1.00 0.00 C ATOM 196 C ALA A 89 -5.249 4.205 -5.114 1.00 0.00 C ATOM 197 O ALA A 89 -5.167 5.098 -5.959 1.00 0.00 O ATOM 198 CB ALA A 89 -3.413 3.020 -3.879 1.00 0.00 C ATOM 0 H ALA A 89 -5.527 3.400 -2.378 1.00 0.00 H new ATOM 0 HA ALA A 89 -3.723 5.126 -3.944 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -2.841 2.993 -4.806 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -2.730 3.091 -3.033 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -4.005 2.109 -3.791 1.00 0.00 H new ATOM 204 N CYS A 90 -6.127 3.204 -5.213 1.00 0.00 N ATOM 205 CA CYS A 90 -7.072 3.161 -6.326 1.00 0.00 C ATOM 206 C CYS A 90 -8.387 3.811 -5.914 1.00 0.00 C ATOM 207 O CYS A 90 -9.092 4.401 -6.734 1.00 0.00 O ATOM 208 CB CYS A 90 -7.305 1.731 -6.848 1.00 0.00 C ATOM 209 SG CYS A 90 -8.123 0.578 -5.692 1.00 0.00 S ATOM 0 H CYS A 90 -6.202 2.431 -4.552 1.00 0.00 H new ATOM 0 HA CYS A 90 -6.635 3.723 -7.151 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -7.906 1.791 -7.756 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -6.341 1.307 -7.131 1.00 0.00 H new ATOM 0 HG CYS A 90 -7.481 0.569 -4.561 1.00 0.00 H new ATOM 214 N GLY A 91 -8.706 3.687 -4.632 1.00 0.00 N ATOM 215 CA GLY A 91 -9.847 4.381 -4.067 1.00 0.00 C ATOM 216 C GLY A 91 -11.108 3.551 -4.083 1.00 0.00 C ATOM 217 O GLY A 91 -12.204 4.082 -3.902 1.00 0.00 O ATOM 0 H GLY A 91 -8.189 3.112 -3.967 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -9.620 4.667 -3.040 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -10.018 5.302 -4.624 1.00 0.00 H new ATOM 221 N GLN A 92 -10.965 2.257 -4.312 1.00 0.00 N ATOM 222 CA GLN A 92 -12.110 1.362 -4.325 1.00 0.00 C ATOM 223 C GLN A 92 -12.377 0.806 -2.931 1.00 0.00 C ATOM 224 O GLN A 92 -11.448 0.604 -2.147 1.00 0.00 O ATOM 225 CB GLN A 92 -11.882 0.214 -5.312 1.00 0.00 C ATOM 226 CG GLN A 92 -12.673 0.343 -6.608 1.00 0.00 C ATOM 227 CD GLN A 92 -13.828 1.325 -6.508 1.00 0.00 C ATOM 228 OE1 GLN A 92 -13.716 2.476 -6.918 1.00 0.00 O ATOM 229 NE2 GLN A 92 -14.945 0.878 -5.952 1.00 0.00 N ATOM 0 H GLN A 92 -10.069 1.803 -4.491 1.00 0.00 H new ATOM 0 HA GLN A 92 -12.982 1.933 -4.644 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -10.820 0.160 -5.551 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -12.148 -0.726 -4.828 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -12.002 0.661 -7.406 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -13.060 -0.636 -6.889 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -15.001 -0.086 -5.623 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -15.749 1.498 -5.853 1.00 0.00 H new ATOM 238 N SER A 93 -13.649 0.577 -2.627 1.00 0.00 N ATOM 239 CA SER A 93 -14.049 -0.014 -1.355 1.00 0.00 C ATOM 240 C SER A 93 -13.550 -1.453 -1.255 1.00 0.00 C ATOM 241 O SER A 93 -13.579 -2.195 -2.237 1.00 0.00 O ATOM 242 CB SER A 93 -15.569 0.032 -1.231 1.00 0.00 C ATOM 243 OG SER A 93 -16.156 0.537 -2.421 1.00 0.00 O ATOM 0 H SER A 93 -14.427 0.794 -3.250 1.00 0.00 H new ATOM 0 HA SER A 93 -13.605 0.557 -0.539 1.00 0.00 H new ATOM 0 HB2 SER A 93 -15.952 -0.968 -1.027 1.00 0.00 H new ATOM 0 HB3 SER A 93 -15.851 0.660 -0.386 1.00 0.00 H new ATOM 0 HG SER A 93 -17.131 0.557 -2.322 1.00 0.00 H new ATOM 249 N ILE A 94 -13.090 -1.845 -0.073 1.00 0.00 N ATOM 250 CA ILE A 94 -12.482 -3.156 0.104 1.00 0.00 C ATOM 251 C ILE A 94 -13.348 -4.085 0.951 1.00 0.00 C ATOM 252 O ILE A 94 -13.662 -3.782 2.105 1.00 0.00 O ATOM 253 CB ILE A 94 -11.090 -3.050 0.766 1.00 0.00 C ATOM 254 CG1 ILE A 94 -10.245 -1.977 0.078 1.00 0.00 C ATOM 255 CG2 ILE A 94 -10.376 -4.395 0.729 1.00 0.00 C ATOM 256 CD1 ILE A 94 -9.451 -1.127 1.047 1.00 0.00 C ATOM 0 H ILE A 94 -13.126 -1.276 0.773 1.00 0.00 H new ATOM 0 HA ILE A 94 -12.384 -3.575 -0.898 1.00 0.00 H new ATOM 0 HB ILE A 94 -11.229 -2.761 1.808 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -9.559 -2.457 -0.620 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -10.898 -1.332 -0.510 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -9.397 -4.301 1.200 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -10.967 -5.136 1.267 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -10.251 -4.712 -0.306 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -8.874 -0.386 0.493 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -10.133 -0.620 1.729 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -8.773 -1.762 1.617 1.00 0.00 H new ATOM 268 N PRO A 95 -13.773 -5.219 0.372 1.00 0.00 N ATOM 269 CA PRO A 95 -14.373 -6.315 1.122 1.00 0.00 C ATOM 270 C PRO A 95 -13.295 -7.139 1.827 1.00 0.00 C ATOM 271 O PRO A 95 -12.147 -7.167 1.387 1.00 0.00 O ATOM 272 CB PRO A 95 -15.076 -7.164 0.047 1.00 0.00 C ATOM 273 CG PRO A 95 -14.875 -6.445 -1.253 1.00 0.00 C ATOM 274 CD PRO A 95 -13.704 -5.526 -1.060 1.00 0.00 C ATOM 0 HA PRO A 95 -15.054 -5.966 1.898 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -14.653 -8.168 0.006 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -16.137 -7.274 0.271 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -14.684 -7.152 -2.061 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -15.768 -5.882 -1.526 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -12.763 -6.007 -1.327 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -13.788 -4.628 -1.672 1.00 0.00 H new ATOM 282 N ALA A 96 -13.659 -7.824 2.905 1.00 0.00 N ATOM 283 CA ALA A 96 -12.702 -8.651 3.644 1.00 0.00 C ATOM 284 C ALA A 96 -12.266 -9.859 2.818 1.00 0.00 C ATOM 285 O ALA A 96 -11.275 -10.516 3.132 1.00 0.00 O ATOM 286 CB ALA A 96 -13.299 -9.108 4.964 1.00 0.00 C ATOM 0 H ALA A 96 -14.604 -7.826 3.288 1.00 0.00 H new ATOM 0 HA ALA A 96 -11.822 -8.041 3.848 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -12.573 -9.721 5.499 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -13.554 -8.238 5.569 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -14.198 -9.694 4.773 1.00 0.00 H new ATOM 292 N SER A 97 -13.016 -10.142 1.759 1.00 0.00 N ATOM 293 CA SER A 97 -12.696 -11.239 0.862 1.00 0.00 C ATOM 294 C SER A 97 -11.577 -10.838 -0.103 1.00 0.00 C ATOM 295 O SER A 97 -11.078 -11.657 -0.876 1.00 0.00 O ATOM 296 CB SER A 97 -13.957 -11.647 0.104 1.00 0.00 C ATOM 297 OG SER A 97 -15.117 -11.158 0.768 1.00 0.00 O ATOM 0 H SER A 97 -13.855 -9.621 1.502 1.00 0.00 H new ATOM 0 HA SER A 97 -12.338 -12.091 1.440 1.00 0.00 H new ATOM 0 HB2 SER A 97 -13.920 -11.255 -0.913 1.00 0.00 H new ATOM 0 HB3 SER A 97 -14.006 -12.733 0.026 1.00 0.00 H new ATOM 0 HG SER A 97 -15.917 -11.426 0.269 1.00 0.00 H new ATOM 303 N GLU A 98 -11.181 -9.572 -0.040 1.00 0.00 N ATOM 304 CA GLU A 98 -10.099 -9.061 -0.864 1.00 0.00 C ATOM 305 C GLU A 98 -8.900 -8.729 0.014 1.00 0.00 C ATOM 306 O GLU A 98 -8.996 -7.919 0.938 1.00 0.00 O ATOM 307 CB GLU A 98 -10.558 -7.823 -1.647 1.00 0.00 C ATOM 308 CG GLU A 98 -9.499 -7.265 -2.589 1.00 0.00 C ATOM 309 CD GLU A 98 -10.090 -6.484 -3.747 1.00 0.00 C ATOM 310 OE1 GLU A 98 -10.562 -5.347 -3.527 1.00 0.00 O ATOM 311 OE2 GLU A 98 -10.061 -6.990 -4.887 1.00 0.00 O ATOM 0 H GLU A 98 -11.599 -8.878 0.580 1.00 0.00 H new ATOM 0 HA GLU A 98 -9.808 -9.826 -1.584 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -11.447 -8.078 -2.224 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -10.849 -7.045 -0.941 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -8.825 -6.618 -2.027 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -8.899 -8.087 -2.980 1.00 0.00 H new ATOM 318 N LEU A 99 -7.779 -9.378 -0.255 1.00 0.00 N ATOM 319 CA LEU A 99 -6.582 -9.174 0.542 1.00 0.00 C ATOM 320 C LEU A 99 -5.916 -7.851 0.188 1.00 0.00 C ATOM 321 O LEU A 99 -5.657 -7.564 -0.984 1.00 0.00 O ATOM 322 CB LEU A 99 -5.599 -10.327 0.336 1.00 0.00 C ATOM 323 CG LEU A 99 -5.154 -11.034 1.618 1.00 0.00 C ATOM 324 CD1 LEU A 99 -6.354 -11.524 2.414 1.00 0.00 C ATOM 325 CD2 LEU A 99 -4.236 -12.193 1.285 1.00 0.00 C ATOM 0 H LEU A 99 -7.673 -10.048 -1.017 1.00 0.00 H new ATOM 0 HA LEU A 99 -6.875 -9.144 1.591 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -6.058 -11.062 -0.326 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -4.716 -9.945 -0.176 1.00 0.00 H new ATOM 0 HG LEU A 99 -4.610 -10.316 2.232 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -6.010 -12.023 3.320 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -6.983 -10.676 2.683 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -6.930 -12.225 1.810 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -3.926 -12.688 2.205 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -4.764 -12.905 0.650 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -3.357 -11.821 0.759 1.00 0.00 H new ATOM 337 N VAL A 100 -5.639 -7.051 1.202 1.00 0.00 N ATOM 338 CA VAL A 100 -5.023 -5.755 1.003 1.00 0.00 C ATOM 339 C VAL A 100 -3.655 -5.713 1.665 1.00 0.00 C ATOM 340 O VAL A 100 -3.466 -6.241 2.760 1.00 0.00 O ATOM 341 CB VAL A 100 -5.890 -4.607 1.571 1.00 0.00 C ATOM 342 CG1 VAL A 100 -6.855 -4.079 0.520 1.00 0.00 C ATOM 343 CG2 VAL A 100 -6.649 -5.055 2.814 1.00 0.00 C ATOM 0 H VAL A 100 -5.833 -7.280 2.177 1.00 0.00 H new ATOM 0 HA VAL A 100 -4.925 -5.612 -0.073 1.00 0.00 H new ATOM 0 HB VAL A 100 -5.218 -3.797 1.856 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -7.452 -3.273 0.946 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -6.292 -3.701 -0.334 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -7.513 -4.884 0.193 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -7.250 -4.228 3.191 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -7.301 -5.891 2.561 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -5.940 -5.367 3.580 1.00 0.00 H new ATOM 353 N MET A 101 -2.706 -5.092 0.996 1.00 0.00 N ATOM 354 CA MET A 101 -1.370 -4.929 1.534 1.00 0.00 C ATOM 355 C MET A 101 -1.342 -3.710 2.439 1.00 0.00 C ATOM 356 O MET A 101 -1.511 -2.580 1.979 1.00 0.00 O ATOM 357 CB MET A 101 -0.355 -4.781 0.399 1.00 0.00 C ATOM 358 CG MET A 101 0.614 -5.946 0.296 1.00 0.00 C ATOM 359 SD MET A 101 0.386 -6.924 -1.203 1.00 0.00 S ATOM 360 CE MET A 101 1.955 -6.672 -2.032 1.00 0.00 C ATOM 0 H MET A 101 -2.837 -4.688 0.069 1.00 0.00 H new ATOM 0 HA MET A 101 -1.101 -5.812 2.114 1.00 0.00 H new ATOM 0 HB2 MET A 101 -0.890 -4.679 -0.545 1.00 0.00 H new ATOM 0 HB3 MET A 101 0.210 -3.861 0.546 1.00 0.00 H new ATOM 0 HG2 MET A 101 1.635 -5.565 0.323 1.00 0.00 H new ATOM 0 HG3 MET A 101 0.491 -6.591 1.166 1.00 0.00 H new ATOM 0 HE1 MET A 101 2.169 -7.527 -2.674 1.00 0.00 H new ATOM 0 HE2 MET A 101 1.905 -5.767 -2.638 1.00 0.00 H new ATOM 0 HE3 MET A 101 2.746 -6.569 -1.290 1.00 0.00 H new ATOM 370 N ARG A 102 -1.157 -3.942 3.729 1.00 0.00 N ATOM 371 CA ARG A 102 -1.194 -2.866 4.706 1.00 0.00 C ATOM 372 C ARG A 102 0.178 -2.237 4.882 1.00 0.00 C ATOM 373 O ARG A 102 1.204 -2.894 4.698 1.00 0.00 O ATOM 374 CB ARG A 102 -1.706 -3.380 6.051 1.00 0.00 C ATOM 375 CG ARG A 102 -2.634 -2.409 6.759 1.00 0.00 C ATOM 376 CD ARG A 102 -3.955 -3.069 7.106 1.00 0.00 C ATOM 377 NE ARG A 102 -4.606 -2.427 8.244 1.00 0.00 N ATOM 378 CZ ARG A 102 -4.637 -2.936 9.475 1.00 0.00 C ATOM 379 NH1 ARG A 102 -4.029 -4.088 9.743 1.00 0.00 N ATOM 380 NH2 ARG A 102 -5.272 -2.279 10.441 1.00 0.00 N ATOM 0 H ARG A 102 -0.980 -4.866 4.124 1.00 0.00 H new ATOM 0 HA ARG A 102 -1.877 -2.103 4.333 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -2.231 -4.323 5.895 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -0.854 -3.593 6.697 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -2.157 -2.043 7.668 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -2.813 -1.543 6.122 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -4.617 -3.031 6.241 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -3.786 -4.122 7.332 1.00 0.00 H new ATOM 0 HE ARG A 102 -5.067 -1.531 8.087 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -3.535 -4.588 9.004 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -4.057 -4.472 10.688 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -5.731 -1.391 10.237 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -5.300 -2.663 11.386 1.00 0.00 H new ATOM 394 N ALA A 103 0.184 -0.960 5.221 1.00 0.00 N ATOM 395 CA ALA A 103 1.418 -0.248 5.501 1.00 0.00 C ATOM 396 C ALA A 103 1.305 0.511 6.823 1.00 0.00 C ATOM 397 O ALA A 103 0.812 -0.028 7.815 1.00 0.00 O ATOM 398 CB ALA A 103 1.758 0.693 4.354 1.00 0.00 C ATOM 0 H ALA A 103 -0.658 -0.392 5.309 1.00 0.00 H new ATOM 0 HA ALA A 103 2.229 -0.971 5.595 1.00 0.00 H new ATOM 0 HB1 ALA A 103 2.686 1.220 4.578 1.00 0.00 H new ATOM 0 HB2 ALA A 103 1.880 0.118 3.436 1.00 0.00 H new ATOM 0 HB3 ALA A 103 0.952 1.416 4.225 1.00 0.00 H new ATOM 404 N GLN A 104 1.746 1.762 6.831 1.00 0.00 N ATOM 405 CA GLN A 104 1.699 2.591 8.031 1.00 0.00 C ATOM 406 C GLN A 104 0.277 3.097 8.279 1.00 0.00 C ATOM 407 O GLN A 104 -0.017 4.282 8.104 1.00 0.00 O ATOM 408 CB GLN A 104 2.676 3.761 7.883 1.00 0.00 C ATOM 409 CG GLN A 104 2.826 4.625 9.127 1.00 0.00 C ATOM 410 CD GLN A 104 3.002 6.093 8.781 1.00 0.00 C ATOM 411 OE1 GLN A 104 4.041 6.694 9.066 1.00 0.00 O ATOM 412 NE2 GLN A 104 1.992 6.677 8.153 1.00 0.00 N ATOM 0 H GLN A 104 2.143 2.228 6.015 1.00 0.00 H new ATOM 0 HA GLN A 104 1.994 1.992 8.892 1.00 0.00 H new ATOM 0 HB2 GLN A 104 3.655 3.367 7.611 1.00 0.00 H new ATOM 0 HB3 GLN A 104 2.345 4.391 7.057 1.00 0.00 H new ATOM 0 HG2 GLN A 104 1.947 4.504 9.760 1.00 0.00 H new ATOM 0 HG3 GLN A 104 3.685 4.283 9.705 1.00 0.00 H new ATOM 0 HE21 GLN A 104 1.150 6.144 7.936 1.00 0.00 H new ATOM 0 HE22 GLN A 104 2.057 7.660 7.887 1.00 0.00 H new ATOM 421 N GLY A 105 -0.609 2.179 8.655 1.00 0.00 N ATOM 422 CA GLY A 105 -1.990 2.532 8.931 1.00 0.00 C ATOM 423 C GLY A 105 -2.846 2.547 7.677 1.00 0.00 C ATOM 424 O GLY A 105 -4.061 2.347 7.741 1.00 0.00 O ATOM 0 H GLY A 105 -0.392 1.189 8.774 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -2.408 1.822 9.644 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -2.024 3.514 9.402 1.00 0.00 H new ATOM 428 N ASN A 106 -2.209 2.775 6.539 1.00 0.00 N ATOM 429 CA ASN A 106 -2.908 2.881 5.270 1.00 0.00 C ATOM 430 C ASN A 106 -3.038 1.519 4.602 1.00 0.00 C ATOM 431 O ASN A 106 -2.246 0.608 4.866 1.00 0.00 O ATOM 432 CB ASN A 106 -2.166 3.850 4.351 1.00 0.00 C ATOM 433 CG ASN A 106 -3.084 4.490 3.327 1.00 0.00 C ATOM 434 OD1 ASN A 106 -2.711 4.663 2.170 1.00 0.00 O ATOM 435 ND2 ASN A 106 -4.287 4.857 3.751 1.00 0.00 N ATOM 0 H ASN A 106 -1.198 2.891 6.470 1.00 0.00 H new ATOM 0 HA ASN A 106 -3.912 3.261 5.460 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -1.696 4.629 4.951 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -1.366 3.318 3.836 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -4.941 5.301 3.107 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -4.557 4.695 4.721 1.00 0.00 H new ATOM 442 N VAL A 107 -4.037 1.394 3.736 1.00 0.00 N ATOM 443 CA VAL A 107 -4.332 0.137 3.063 1.00 0.00 C ATOM 444 C VAL A 107 -4.185 0.284 1.555 1.00 0.00 C ATOM 445 O VAL A 107 -4.670 1.251 0.964 1.00 0.00 O ATOM 446 CB VAL A 107 -5.761 -0.368 3.375 1.00 0.00 C ATOM 447 CG1 VAL A 107 -5.737 -1.372 4.517 1.00 0.00 C ATOM 448 CG2 VAL A 107 -6.696 0.790 3.695 1.00 0.00 C ATOM 0 H VAL A 107 -4.662 2.159 3.482 1.00 0.00 H new ATOM 0 HA VAL A 107 -3.614 -0.592 3.439 1.00 0.00 H new ATOM 0 HB VAL A 107 -6.142 -0.868 2.485 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -6.751 -1.715 4.721 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -5.115 -2.223 4.240 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -5.328 -0.898 5.409 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -7.693 0.404 3.910 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -6.321 1.331 4.564 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -6.745 1.465 2.841 1.00 0.00 H new ATOM 458 N TYR A 108 -3.489 -0.666 0.952 1.00 0.00 N ATOM 459 CA TYR A 108 -3.324 -0.709 -0.492 1.00 0.00 C ATOM 460 C TYR A 108 -3.713 -2.090 -1.003 1.00 0.00 C ATOM 461 O TYR A 108 -3.935 -3.003 -0.215 1.00 0.00 O ATOM 462 CB TYR A 108 -1.874 -0.402 -0.889 1.00 0.00 C ATOM 463 CG TYR A 108 -1.314 0.864 -0.280 1.00 0.00 C ATOM 464 CD1 TYR A 108 -1.454 2.087 -0.925 1.00 0.00 C ATOM 465 CD2 TYR A 108 -0.646 0.836 0.937 1.00 0.00 C ATOM 466 CE1 TYR A 108 -0.943 3.246 -0.371 1.00 0.00 C ATOM 467 CE2 TYR A 108 -0.134 1.988 1.498 1.00 0.00 C ATOM 468 CZ TYR A 108 -0.284 3.190 0.841 1.00 0.00 C ATOM 469 OH TYR A 108 0.227 4.341 1.399 1.00 0.00 O ATOM 0 H TYR A 108 -3.024 -1.427 1.448 1.00 0.00 H new ATOM 0 HA TYR A 108 -3.968 0.048 -0.938 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -1.244 -1.242 -0.595 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -1.816 -0.325 -1.975 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -1.970 2.133 -1.873 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -0.525 -0.105 1.454 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -1.059 4.190 -0.883 1.00 0.00 H new ATOM 0 HE2 TYR A 108 0.381 1.948 2.446 1.00 0.00 H new ATOM 0 HH TYR A 108 -0.489 4.828 1.858 1.00 0.00 H new ATOM 479 N HIS A 109 -3.791 -2.247 -2.313 1.00 0.00 N ATOM 480 CA HIS A 109 -4.095 -3.542 -2.906 1.00 0.00 C ATOM 481 C HIS A 109 -2.817 -4.188 -3.419 1.00 0.00 C ATOM 482 O HIS A 109 -1.744 -3.599 -3.323 1.00 0.00 O ATOM 483 CB HIS A 109 -5.097 -3.395 -4.053 1.00 0.00 C ATOM 484 CG HIS A 109 -6.515 -3.261 -3.600 1.00 0.00 C ATOM 485 ND1 HIS A 109 -7.199 -2.072 -3.681 1.00 0.00 N ATOM 486 CD2 HIS A 109 -7.344 -4.207 -3.096 1.00 0.00 C ATOM 487 CE1 HIS A 109 -8.416 -2.314 -3.228 1.00 0.00 C ATOM 488 NE2 HIS A 109 -8.554 -3.601 -2.855 1.00 0.00 N ATOM 0 H HIS A 109 -3.648 -1.496 -2.988 1.00 0.00 H new ATOM 0 HA HIS A 109 -4.540 -4.175 -2.138 1.00 0.00 H new ATOM 0 HB2 HIS A 109 -4.830 -2.520 -4.646 1.00 0.00 H new ATOM 0 HB3 HIS A 109 -5.015 -4.262 -4.709 1.00 0.00 H new ATOM 0 HD2 HIS A 109 -7.100 -5.244 -2.917 1.00 0.00 H new ATOM 0 HE1 HIS A 109 -9.200 -1.574 -3.165 1.00 0.00 H new ATOM 0 HE2 HIS A 109 -9.391 -4.039 -2.470 1.00 0.00 H new ATOM 496 N LEU A 110 -2.933 -5.389 -3.976 1.00 0.00 N ATOM 497 CA LEU A 110 -1.781 -6.085 -4.547 1.00 0.00 C ATOM 498 C LEU A 110 -1.192 -5.289 -5.714 1.00 0.00 C ATOM 499 O LEU A 110 0.003 -5.370 -6.004 1.00 0.00 O ATOM 500 CB LEU A 110 -2.184 -7.487 -5.013 1.00 0.00 C ATOM 501 CG LEU A 110 -2.299 -8.527 -3.896 1.00 0.00 C ATOM 502 CD1 LEU A 110 -3.422 -9.507 -4.193 1.00 0.00 C ATOM 503 CD2 LEU A 110 -0.975 -9.260 -3.710 1.00 0.00 C ATOM 0 H LEU A 110 -3.812 -5.902 -4.045 1.00 0.00 H new ATOM 0 HA LEU A 110 -1.019 -6.177 -3.773 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -3.142 -7.422 -5.529 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -1.453 -7.837 -5.742 1.00 0.00 H new ATOM 0 HG LEU A 110 -2.536 -8.010 -2.966 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -3.489 -10.239 -3.388 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -4.365 -8.967 -4.271 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -3.219 -10.019 -5.133 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -1.075 -9.996 -2.912 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -0.705 -9.765 -4.637 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -0.196 -8.544 -3.448 1.00 0.00 H new ATOM 515 N LYS A 111 -2.046 -4.524 -6.382 1.00 0.00 N ATOM 516 CA LYS A 111 -1.618 -3.659 -7.475 1.00 0.00 C ATOM 517 C LYS A 111 -1.239 -2.282 -6.942 1.00 0.00 C ATOM 518 O LYS A 111 -0.320 -1.633 -7.441 1.00 0.00 O ATOM 519 CB LYS A 111 -2.735 -3.517 -8.518 1.00 0.00 C ATOM 520 CG LYS A 111 -4.076 -4.082 -8.068 1.00 0.00 C ATOM 521 CD LYS A 111 -5.192 -3.057 -8.202 1.00 0.00 C ATOM 522 CE LYS A 111 -6.140 -3.406 -9.340 1.00 0.00 C ATOM 523 NZ LYS A 111 -6.816 -2.203 -9.890 1.00 0.00 N ATOM 0 H LYS A 111 -3.046 -4.485 -6.184 1.00 0.00 H new ATOM 0 HA LYS A 111 -0.747 -4.113 -7.948 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -2.860 -2.462 -8.761 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -2.429 -4.021 -9.435 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -4.318 -4.963 -8.663 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -4.004 -4.408 -7.030 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -5.750 -3.001 -7.267 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -4.762 -2.071 -8.376 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -5.585 -3.905 -10.134 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -6.890 -4.112 -8.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -7.452 -2.485 -10.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -7.367 -1.741 -9.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -6.102 -1.540 -10.254 1.00 0.00 H new ATOM 537 N CYS A 112 -1.955 -1.857 -5.910 1.00 0.00 N ATOM 538 CA CYS A 112 -1.790 -0.533 -5.329 1.00 0.00 C ATOM 539 C CYS A 112 -0.565 -0.462 -4.411 1.00 0.00 C ATOM 540 O CYS A 112 -0.202 0.610 -3.923 1.00 0.00 O ATOM 541 CB CYS A 112 -3.086 -0.179 -4.598 1.00 0.00 C ATOM 542 SG CYS A 112 -4.555 -0.699 -5.548 1.00 0.00 S ATOM 0 H CYS A 112 -2.669 -2.423 -5.451 1.00 0.00 H new ATOM 0 HA CYS A 112 -1.603 0.199 -6.114 1.00 0.00 H new ATOM 0 HB2 CYS A 112 -3.096 -0.659 -3.620 1.00 0.00 H new ATOM 0 HB3 CYS A 112 -3.125 0.897 -4.425 1.00 0.00 H new ATOM 0 HG CYS A 112 -5.522 -0.987 -4.728 1.00 0.00 H new ATOM 547 N PHE A 113 0.070 -1.606 -4.194 1.00 0.00 N ATOM 548 CA PHE A 113 1.332 -1.660 -3.471 1.00 0.00 C ATOM 549 C PHE A 113 2.487 -1.676 -4.466 1.00 0.00 C ATOM 550 O PHE A 113 3.207 -2.669 -4.589 1.00 0.00 O ATOM 551 CB PHE A 113 1.391 -2.899 -2.573 1.00 0.00 C ATOM 552 CG PHE A 113 2.015 -2.646 -1.227 1.00 0.00 C ATOM 553 CD1 PHE A 113 1.632 -1.552 -0.468 1.00 0.00 C ATOM 554 CD2 PHE A 113 2.978 -3.506 -0.717 1.00 0.00 C ATOM 555 CE1 PHE A 113 2.192 -1.319 0.772 1.00 0.00 C ATOM 556 CE2 PHE A 113 3.542 -3.276 0.523 1.00 0.00 C ATOM 557 CZ PHE A 113 3.148 -2.182 1.268 1.00 0.00 C ATOM 0 H PHE A 113 -0.271 -2.514 -4.511 1.00 0.00 H new ATOM 0 HA PHE A 113 1.412 -0.778 -2.836 1.00 0.00 H new ATOM 0 HB2 PHE A 113 0.380 -3.280 -2.428 1.00 0.00 H new ATOM 0 HB3 PHE A 113 1.955 -3.679 -3.084 1.00 0.00 H new ATOM 0 HD1 PHE A 113 0.885 -0.872 -0.852 1.00 0.00 H new ATOM 0 HD2 PHE A 113 3.289 -4.363 -1.295 1.00 0.00 H new ATOM 0 HE1 PHE A 113 1.883 -0.463 1.353 1.00 0.00 H new ATOM 0 HE2 PHE A 113 4.291 -3.952 0.910 1.00 0.00 H new ATOM 0 HZ PHE A 113 3.588 -2.002 2.238 1.00 0.00 H new ATOM 567 N THR A 114 2.646 -0.579 -5.190 1.00 0.00 N ATOM 568 CA THR A 114 3.692 -0.465 -6.192 1.00 0.00 C ATOM 569 C THR A 114 4.633 0.692 -5.863 1.00 0.00 C ATOM 570 O THR A 114 4.268 1.601 -5.115 1.00 0.00 O ATOM 571 CB THR A 114 3.091 -0.242 -7.599 1.00 0.00 C ATOM 572 OG1 THR A 114 1.787 0.348 -7.494 1.00 0.00 O ATOM 573 CG2 THR A 114 2.983 -1.547 -8.370 1.00 0.00 C ATOM 0 H THR A 114 2.059 0.250 -5.100 1.00 0.00 H new ATOM 0 HA THR A 114 4.251 -1.400 -6.186 1.00 0.00 H new ATOM 0 HB THR A 114 3.760 0.428 -8.138 1.00 0.00 H new ATOM 0 HG1 THR A 114 1.107 -0.358 -7.497 1.00 0.00 H new ATOM 0 HG21 THR A 114 2.557 -1.354 -9.354 1.00 0.00 H new ATOM 0 HG22 THR A 114 3.974 -1.986 -8.484 1.00 0.00 H new ATOM 0 HG23 THR A 114 2.340 -2.239 -7.826 1.00 0.00 H new ATOM 581 N CYS A 115 5.845 0.637 -6.404 1.00 0.00 N ATOM 582 CA CYS A 115 6.795 1.730 -6.280 1.00 0.00 C ATOM 583 C CYS A 115 6.248 2.985 -6.952 1.00 0.00 C ATOM 584 O CYS A 115 5.466 2.905 -7.901 1.00 0.00 O ATOM 585 CB CYS A 115 8.129 1.340 -6.914 1.00 0.00 C ATOM 586 SG CYS A 115 9.564 2.305 -6.337 1.00 0.00 S ATOM 0 H CYS A 115 6.192 -0.161 -6.936 1.00 0.00 H new ATOM 0 HA CYS A 115 6.951 1.937 -5.221 1.00 0.00 H new ATOM 0 HB2 CYS A 115 8.315 0.285 -6.714 1.00 0.00 H new ATOM 0 HB3 CYS A 115 8.047 1.450 -7.995 1.00 0.00 H new ATOM 0 HG CYS A 115 10.621 1.548 -6.329 1.00 0.00 H new ATOM 591 N SER A 116 6.674 4.138 -6.474 1.00 0.00 N ATOM 592 CA SER A 116 6.165 5.399 -6.988 1.00 0.00 C ATOM 593 C SER A 116 6.957 5.877 -8.206 1.00 0.00 C ATOM 594 O SER A 116 6.395 6.491 -9.114 1.00 0.00 O ATOM 595 CB SER A 116 6.183 6.459 -5.883 1.00 0.00 C ATOM 596 OG SER A 116 5.693 5.922 -4.663 1.00 0.00 O ATOM 0 H SER A 116 7.369 4.230 -5.733 1.00 0.00 H new ATOM 0 HA SER A 116 5.137 5.239 -7.314 1.00 0.00 H new ATOM 0 HB2 SER A 116 7.199 6.827 -5.742 1.00 0.00 H new ATOM 0 HB3 SER A 116 5.574 7.312 -6.181 1.00 0.00 H new ATOM 0 HG SER A 116 6.361 5.316 -4.281 1.00 0.00 H new ATOM 602 N THR A 117 8.251 5.584 -8.243 1.00 0.00 N ATOM 603 CA THR A 117 9.101 6.112 -9.300 1.00 0.00 C ATOM 604 C THR A 117 9.348 5.103 -10.423 1.00 0.00 C ATOM 605 O THR A 117 9.154 5.422 -11.602 1.00 0.00 O ATOM 606 CB THR A 117 10.445 6.577 -8.732 1.00 0.00 C ATOM 607 OG1 THR A 117 10.502 6.291 -7.329 1.00 0.00 O ATOM 608 CG2 THR A 117 10.638 8.065 -8.959 1.00 0.00 C ATOM 0 H THR A 117 8.729 4.992 -7.563 1.00 0.00 H new ATOM 0 HA THR A 117 8.565 6.959 -9.728 1.00 0.00 H new ATOM 0 HB THR A 117 11.243 6.041 -9.247 1.00 0.00 H new ATOM 0 HG1 THR A 117 11.423 6.071 -7.077 1.00 0.00 H new ATOM 0 HG21 THR A 117 11.599 8.374 -8.548 1.00 0.00 H new ATOM 0 HG22 THR A 117 10.616 8.276 -10.028 1.00 0.00 H new ATOM 0 HG23 THR A 117 9.838 8.615 -8.464 1.00 0.00 H new ATOM 616 N CYS A 118 9.780 3.894 -10.076 1.00 0.00 N ATOM 617 CA CYS A 118 10.009 2.865 -11.085 1.00 0.00 C ATOM 618 C CYS A 118 8.742 2.051 -11.299 1.00 0.00 C ATOM 619 O CYS A 118 8.579 1.391 -12.330 1.00 0.00 O ATOM 620 CB CYS A 118 11.180 1.955 -10.696 1.00 0.00 C ATOM 621 SG CYS A 118 10.770 0.660 -9.485 1.00 0.00 S ATOM 0 H CYS A 118 9.976 3.605 -9.118 1.00 0.00 H new ATOM 0 HA CYS A 118 10.272 3.358 -12.021 1.00 0.00 H new ATOM 0 HB2 CYS A 118 11.568 1.480 -11.597 1.00 0.00 H new ATOM 0 HB3 CYS A 118 11.982 2.572 -10.290 1.00 0.00 H new ATOM 0 HG CYS A 118 10.351 1.212 -8.385 1.00 0.00 H new ATOM 626 N ARG A 119 7.859 2.109 -10.306 1.00 0.00 N ATOM 627 CA ARG A 119 6.545 1.481 -10.369 1.00 0.00 C ATOM 628 C ARG A 119 6.641 -0.040 -10.334 1.00 0.00 C ATOM 629 O ARG A 119 5.748 -0.739 -10.823 1.00 0.00 O ATOM 630 CB ARG A 119 5.782 1.943 -11.612 1.00 0.00 C ATOM 631 CG ARG A 119 4.522 2.725 -11.291 1.00 0.00 C ATOM 632 CD ARG A 119 3.309 2.119 -11.971 1.00 0.00 C ATOM 633 NE ARG A 119 3.118 2.657 -13.324 1.00 0.00 N ATOM 634 CZ ARG A 119 3.463 2.011 -14.439 1.00 0.00 C ATOM 635 NH1 ARG A 119 4.055 0.824 -14.359 1.00 0.00 N ATOM 636 NH2 ARG A 119 3.244 2.563 -15.627 1.00 0.00 N ATOM 0 H ARG A 119 8.038 2.597 -9.429 1.00 0.00 H new ATOM 0 HA ARG A 119 5.993 1.795 -9.484 1.00 0.00 H new ATOM 0 HB2 ARG A 119 6.439 2.562 -12.223 1.00 0.00 H new ATOM 0 HB3 ARG A 119 5.517 1.072 -12.211 1.00 0.00 H new ATOM 0 HG2 ARG A 119 4.367 2.741 -10.212 1.00 0.00 H new ATOM 0 HG3 ARG A 119 4.642 3.760 -11.611 1.00 0.00 H new ATOM 0 HD2 ARG A 119 3.424 1.036 -12.023 1.00 0.00 H new ATOM 0 HD3 ARG A 119 2.420 2.316 -11.372 1.00 0.00 H new ATOM 0 HE ARG A 119 2.696 3.581 -13.417 1.00 0.00 H new ATOM 0 HH11 ARG A 119 4.245 0.409 -13.447 1.00 0.00 H new ATOM 0 HH12 ARG A 119 4.320 0.328 -15.210 1.00 0.00 H new ATOM 0 HH21 ARG A 119 2.811 3.484 -15.689 1.00 0.00 H new ATOM 0 HH22 ARG A 119 3.509 2.066 -16.477 1.00 0.00 H new ATOM 650 N ASN A 120 7.720 -0.554 -9.754 1.00 0.00 N ATOM 651 CA ASN A 120 7.859 -1.990 -9.561 1.00 0.00 C ATOM 652 C ASN A 120 6.878 -2.468 -8.500 1.00 0.00 C ATOM 653 O ASN A 120 6.793 -1.891 -7.418 1.00 0.00 O ATOM 654 CB ASN A 120 9.288 -2.360 -9.147 1.00 0.00 C ATOM 655 CG ASN A 120 10.121 -2.859 -10.313 1.00 0.00 C ATOM 656 OD1 ASN A 120 10.007 -4.015 -10.732 1.00 0.00 O ATOM 657 ND2 ASN A 120 10.975 -1.995 -10.837 1.00 0.00 N ATOM 0 H ASN A 120 8.506 -0.001 -9.412 1.00 0.00 H new ATOM 0 HA ASN A 120 7.641 -2.480 -10.510 1.00 0.00 H new ATOM 0 HB2 ASN A 120 9.772 -1.489 -8.706 1.00 0.00 H new ATOM 0 HB3 ASN A 120 9.252 -3.129 -8.375 1.00 0.00 H new ATOM 0 HD21 ASN A 120 11.570 -2.275 -11.617 1.00 0.00 H new ATOM 0 HD22 ASN A 120 11.038 -1.049 -10.461 1.00 0.00 H new ATOM 664 N ARG A 121 6.105 -3.492 -8.829 1.00 0.00 N ATOM 665 CA ARG A 121 5.180 -4.082 -7.868 1.00 0.00 C ATOM 666 C ARG A 121 5.964 -4.733 -6.725 1.00 0.00 C ATOM 667 O ARG A 121 6.737 -5.668 -6.953 1.00 0.00 O ATOM 668 CB ARG A 121 4.277 -5.115 -8.566 1.00 0.00 C ATOM 669 CG ARG A 121 3.643 -6.129 -7.627 1.00 0.00 C ATOM 670 CD ARG A 121 2.236 -6.513 -8.069 1.00 0.00 C ATOM 671 NE ARG A 121 2.127 -6.697 -9.524 1.00 0.00 N ATOM 672 CZ ARG A 121 2.435 -7.831 -10.161 1.00 0.00 C ATOM 673 NH1 ARG A 121 2.930 -8.860 -9.487 1.00 0.00 N ATOM 674 NH2 ARG A 121 2.261 -7.929 -11.472 1.00 0.00 N ATOM 0 H ARG A 121 6.098 -3.931 -9.749 1.00 0.00 H new ATOM 0 HA ARG A 121 4.546 -3.298 -7.453 1.00 0.00 H new ATOM 0 HB2 ARG A 121 3.486 -4.587 -9.099 1.00 0.00 H new ATOM 0 HB3 ARG A 121 4.865 -5.648 -9.313 1.00 0.00 H new ATOM 0 HG2 ARG A 121 4.266 -7.022 -7.584 1.00 0.00 H new ATOM 0 HG3 ARG A 121 3.607 -5.716 -6.619 1.00 0.00 H new ATOM 0 HD2 ARG A 121 1.941 -7.435 -7.568 1.00 0.00 H new ATOM 0 HD3 ARG A 121 1.536 -5.740 -7.752 1.00 0.00 H new ATOM 0 HE ARG A 121 1.796 -5.910 -10.082 1.00 0.00 H new ATOM 0 HH11 ARG A 121 3.076 -8.787 -8.480 1.00 0.00 H new ATOM 0 HH12 ARG A 121 3.164 -9.724 -9.975 1.00 0.00 H new ATOM 0 HH21 ARG A 121 1.891 -7.137 -11.998 1.00 0.00 H new ATOM 0 HH22 ARG A 121 2.497 -8.796 -11.954 1.00 0.00 H new ATOM 688 N LEU A 122 5.780 -4.221 -5.510 1.00 0.00 N ATOM 689 CA LEU A 122 6.489 -4.737 -4.343 1.00 0.00 C ATOM 690 C LEU A 122 6.057 -6.170 -4.051 1.00 0.00 C ATOM 691 O LEU A 122 4.928 -6.561 -4.352 1.00 0.00 O ATOM 692 CB LEU A 122 6.242 -3.843 -3.125 1.00 0.00 C ATOM 693 CG LEU A 122 6.517 -2.354 -3.355 1.00 0.00 C ATOM 694 CD1 LEU A 122 5.907 -1.521 -2.245 1.00 0.00 C ATOM 695 CD2 LEU A 122 8.013 -2.085 -3.462 1.00 0.00 C ATOM 0 H LEU A 122 5.145 -3.448 -5.309 1.00 0.00 H new ATOM 0 HA LEU A 122 7.557 -4.734 -4.558 1.00 0.00 H new ATOM 0 HB2 LEU A 122 5.206 -3.962 -2.809 1.00 0.00 H new ATOM 0 HB3 LEU A 122 6.868 -4.191 -2.303 1.00 0.00 H new ATOM 0 HG LEU A 122 6.052 -2.068 -4.299 1.00 0.00 H new ATOM 0 HD11 LEU A 122 6.113 -0.466 -2.426 1.00 0.00 H new ATOM 0 HD12 LEU A 122 4.829 -1.681 -2.220 1.00 0.00 H new ATOM 0 HD13 LEU A 122 6.340 -1.816 -1.289 1.00 0.00 H new ATOM 0 HD21 LEU A 122 8.180 -1.020 -3.625 1.00 0.00 H new ATOM 0 HD22 LEU A 122 8.505 -2.392 -2.539 1.00 0.00 H new ATOM 0 HD23 LEU A 122 8.425 -2.649 -4.298 1.00 0.00 H new ATOM 707 N VAL A 123 6.944 -6.950 -3.450 1.00 0.00 N ATOM 708 CA VAL A 123 6.696 -8.373 -3.294 1.00 0.00 C ATOM 709 C VAL A 123 6.769 -8.772 -1.831 1.00 0.00 C ATOM 710 O VAL A 123 7.713 -8.403 -1.131 1.00 0.00 O ATOM 711 CB VAL A 123 7.719 -9.208 -4.099 1.00 0.00 C ATOM 712 CG1 VAL A 123 7.539 -10.699 -3.853 1.00 0.00 C ATOM 713 CG2 VAL A 123 7.607 -8.902 -5.583 1.00 0.00 C ATOM 0 H VAL A 123 7.832 -6.625 -3.067 1.00 0.00 H new ATOM 0 HA VAL A 123 5.695 -8.574 -3.676 1.00 0.00 H new ATOM 0 HB VAL A 123 8.715 -8.930 -3.755 1.00 0.00 H new ATOM 0 HG11 VAL A 123 8.274 -11.255 -4.434 1.00 0.00 H new ATOM 0 HG12 VAL A 123 7.678 -10.912 -2.793 1.00 0.00 H new ATOM 0 HG13 VAL A 123 6.536 -10.999 -4.155 1.00 0.00 H new ATOM 0 HG21 VAL A 123 8.334 -9.499 -6.133 1.00 0.00 H new ATOM 0 HG22 VAL A 123 6.602 -9.144 -5.930 1.00 0.00 H new ATOM 0 HG23 VAL A 123 7.804 -7.843 -5.752 1.00 0.00 H new ATOM 723 N PRO A 124 5.767 -9.517 -1.341 1.00 0.00 N ATOM 724 CA PRO A 124 5.818 -10.087 -0.002 1.00 0.00 C ATOM 725 C PRO A 124 6.938 -11.113 0.101 1.00 0.00 C ATOM 726 O PRO A 124 6.871 -12.186 -0.497 1.00 0.00 O ATOM 727 CB PRO A 124 4.446 -10.748 0.172 1.00 0.00 C ATOM 728 CG PRO A 124 3.926 -10.947 -1.211 1.00 0.00 C ATOM 729 CD PRO A 124 4.511 -9.837 -2.042 1.00 0.00 C ATOM 0 HA PRO A 124 6.021 -9.343 0.768 1.00 0.00 H new ATOM 0 HB2 PRO A 124 4.531 -11.698 0.700 1.00 0.00 H new ATOM 0 HB3 PRO A 124 3.777 -10.117 0.757 1.00 0.00 H new ATOM 0 HG2 PRO A 124 4.219 -11.922 -1.601 1.00 0.00 H new ATOM 0 HG3 PRO A 124 2.837 -10.912 -1.226 1.00 0.00 H new ATOM 0 HD2 PRO A 124 4.693 -10.155 -3.068 1.00 0.00 H new ATOM 0 HD3 PRO A 124 3.845 -8.975 -2.089 1.00 0.00 H new ATOM 737 N GLY A 125 7.967 -10.765 0.852 1.00 0.00 N ATOM 738 CA GLY A 125 9.149 -11.595 0.920 1.00 0.00 C ATOM 739 C GLY A 125 10.362 -10.875 0.372 1.00 0.00 C ATOM 740 O GLY A 125 11.497 -11.273 0.625 1.00 0.00 O ATOM 0 H GLY A 125 8.006 -9.918 1.419 1.00 0.00 H new ATOM 0 HA2 GLY A 125 9.333 -11.885 1.955 1.00 0.00 H new ATOM 0 HA3 GLY A 125 8.984 -12.513 0.356 1.00 0.00 H new ATOM 744 N ASP A 126 10.114 -9.808 -0.377 1.00 0.00 N ATOM 745 CA ASP A 126 11.186 -8.989 -0.922 1.00 0.00 C ATOM 746 C ASP A 126 11.110 -7.572 -0.363 1.00 0.00 C ATOM 747 O ASP A 126 10.451 -7.334 0.650 1.00 0.00 O ATOM 748 CB ASP A 126 11.140 -8.968 -2.454 1.00 0.00 C ATOM 749 CG ASP A 126 12.515 -8.780 -3.064 1.00 0.00 C ATOM 750 OD1 ASP A 126 13.321 -9.732 -3.039 1.00 0.00 O ATOM 751 OD2 ASP A 126 12.810 -7.672 -3.555 1.00 0.00 O ATOM 0 H ASP A 126 9.176 -9.490 -0.621 1.00 0.00 H new ATOM 0 HA ASP A 126 12.136 -9.431 -0.621 1.00 0.00 H new ATOM 0 HB2 ASP A 126 10.708 -9.901 -2.816 1.00 0.00 H new ATOM 0 HB3 ASP A 126 10.484 -8.163 -2.785 1.00 0.00 H new ATOM 756 N ARG A 127 11.756 -6.629 -1.035 1.00 0.00 N ATOM 757 CA ARG A 127 11.947 -5.297 -0.481 1.00 0.00 C ATOM 758 C ARG A 127 10.734 -4.399 -0.663 1.00 0.00 C ATOM 759 O ARG A 127 9.966 -4.536 -1.617 1.00 0.00 O ATOM 760 CB ARG A 127 13.162 -4.626 -1.110 1.00 0.00 C ATOM 761 CG ARG A 127 14.460 -5.347 -0.827 1.00 0.00 C ATOM 762 CD ARG A 127 15.146 -5.753 -2.119 1.00 0.00 C ATOM 763 NE ARG A 127 15.165 -7.198 -2.283 1.00 0.00 N ATOM 764 CZ ARG A 127 16.163 -7.975 -1.883 1.00 0.00 C ATOM 765 NH1 ARG A 127 17.224 -7.446 -1.274 1.00 0.00 N ATOM 766 NH2 ARG A 127 16.096 -9.288 -2.072 1.00 0.00 N ATOM 0 H ARG A 127 12.156 -6.762 -1.964 1.00 0.00 H new ATOM 0 HA ARG A 127 12.102 -5.433 0.589 1.00 0.00 H new ATOM 0 HB2 ARG A 127 13.016 -4.565 -2.189 1.00 0.00 H new ATOM 0 HB3 ARG A 127 13.235 -3.603 -0.740 1.00 0.00 H new ATOM 0 HG2 ARG A 127 15.120 -4.702 -0.247 1.00 0.00 H new ATOM 0 HG3 ARG A 127 14.265 -6.231 -0.220 1.00 0.00 H new ATOM 0 HD2 ARG A 127 14.631 -5.297 -2.964 1.00 0.00 H new ATOM 0 HD3 ARG A 127 16.167 -5.372 -2.125 1.00 0.00 H new ATOM 0 HE ARG A 127 14.363 -7.640 -2.732 1.00 0.00 H new ATOM 0 HH11 ARG A 127 17.271 -6.440 -1.114 1.00 0.00 H new ATOM 0 HH12 ARG A 127 17.989 -8.047 -0.968 1.00 0.00 H new ATOM 0 HH21 ARG A 127 15.278 -9.697 -2.524 1.00 0.00 H new ATOM 0 HH22 ARG A 127 16.862 -9.887 -1.765 1.00 0.00 H new ATOM 780 N PHE A 128 10.589 -3.486 0.283 1.00 0.00 N ATOM 781 CA PHE A 128 9.602 -2.425 0.222 1.00 0.00 C ATOM 782 C PHE A 128 10.066 -1.287 1.130 1.00 0.00 C ATOM 783 O PHE A 128 10.542 -1.536 2.233 1.00 0.00 O ATOM 784 CB PHE A 128 8.212 -2.955 0.636 1.00 0.00 C ATOM 785 CG PHE A 128 7.555 -2.212 1.772 1.00 0.00 C ATOM 786 CD1 PHE A 128 7.777 -2.592 3.086 1.00 0.00 C ATOM 787 CD2 PHE A 128 6.709 -1.141 1.522 1.00 0.00 C ATOM 788 CE1 PHE A 128 7.172 -1.916 4.128 1.00 0.00 C ATOM 789 CE2 PHE A 128 6.100 -0.464 2.560 1.00 0.00 C ATOM 790 CZ PHE A 128 6.331 -0.852 3.864 1.00 0.00 C ATOM 0 H PHE A 128 11.163 -3.462 1.126 1.00 0.00 H new ATOM 0 HA PHE A 128 9.507 -2.053 -0.798 1.00 0.00 H new ATOM 0 HB2 PHE A 128 7.553 -2.917 -0.231 1.00 0.00 H new ATOM 0 HB3 PHE A 128 8.309 -4.004 0.917 1.00 0.00 H new ATOM 0 HD1 PHE A 128 8.430 -3.426 3.298 1.00 0.00 H new ATOM 0 HD2 PHE A 128 6.525 -0.833 0.503 1.00 0.00 H new ATOM 0 HE1 PHE A 128 7.356 -2.219 5.148 1.00 0.00 H new ATOM 0 HE2 PHE A 128 5.444 0.368 2.352 1.00 0.00 H new ATOM 0 HZ PHE A 128 5.855 -0.325 4.677 1.00 0.00 H new ATOM 800 N HIS A 129 9.967 -0.054 0.667 1.00 0.00 N ATOM 801 CA HIS A 129 10.413 1.080 1.464 1.00 0.00 C ATOM 802 C HIS A 129 9.297 2.110 1.602 1.00 0.00 C ATOM 803 O HIS A 129 8.698 2.526 0.615 1.00 0.00 O ATOM 804 CB HIS A 129 11.662 1.712 0.841 1.00 0.00 C ATOM 805 CG HIS A 129 12.913 0.908 1.067 1.00 0.00 C ATOM 806 ND1 HIS A 129 13.732 1.135 2.149 1.00 0.00 N ATOM 807 CD2 HIS A 129 13.428 -0.111 0.332 1.00 0.00 C ATOM 808 CE1 HIS A 129 14.718 0.256 2.051 1.00 0.00 C ATOM 809 NE2 HIS A 129 14.575 -0.518 0.965 1.00 0.00 N ATOM 0 H HIS A 129 9.586 0.189 -0.247 1.00 0.00 H new ATOM 0 HA HIS A 129 10.670 0.723 2.461 1.00 0.00 H new ATOM 0 HB2 HIS A 129 11.504 1.831 -0.231 1.00 0.00 H new ATOM 0 HB3 HIS A 129 11.801 2.710 1.256 1.00 0.00 H new ATOM 0 HD2 HIS A 129 13.014 -0.522 -0.577 1.00 0.00 H new ATOM 0 HE1 HIS A 129 15.533 0.173 2.755 1.00 0.00 H new ATOM 0 HE2 HIS A 129 15.200 -1.267 0.667 1.00 0.00 H new ATOM 817 N TYR A 130 9.018 2.509 2.833 1.00 0.00 N ATOM 818 CA TYR A 130 7.962 3.461 3.112 1.00 0.00 C ATOM 819 C TYR A 130 8.523 4.640 3.898 1.00 0.00 C ATOM 820 O TYR A 130 8.752 4.543 5.102 1.00 0.00 O ATOM 821 CB TYR A 130 6.853 2.775 3.915 1.00 0.00 C ATOM 822 CG TYR A 130 5.497 3.425 3.789 1.00 0.00 C ATOM 823 CD1 TYR A 130 4.773 3.348 2.608 1.00 0.00 C ATOM 824 CD2 TYR A 130 4.935 4.104 4.862 1.00 0.00 C ATOM 825 CE1 TYR A 130 3.529 3.936 2.497 1.00 0.00 C ATOM 826 CE2 TYR A 130 3.693 4.694 4.760 1.00 0.00 C ATOM 827 CZ TYR A 130 2.992 4.605 3.576 1.00 0.00 C ATOM 828 OH TYR A 130 1.756 5.190 3.472 1.00 0.00 O ATOM 0 H TYR A 130 9.516 2.182 3.661 1.00 0.00 H new ATOM 0 HA TYR A 130 7.549 3.828 2.173 1.00 0.00 H new ATOM 0 HB2 TYR A 130 6.776 1.737 3.591 1.00 0.00 H new ATOM 0 HB3 TYR A 130 7.139 2.761 4.967 1.00 0.00 H new ATOM 0 HD1 TYR A 130 5.189 2.820 1.763 1.00 0.00 H new ATOM 0 HD2 TYR A 130 5.480 4.171 5.792 1.00 0.00 H new ATOM 0 HE1 TYR A 130 2.979 3.872 1.570 1.00 0.00 H new ATOM 0 HE2 TYR A 130 3.272 5.223 5.602 1.00 0.00 H new ATOM 0 HH TYR A 130 1.198 4.669 2.858 1.00 0.00 H new ATOM 838 N ILE A 131 8.739 5.751 3.217 1.00 0.00 N ATOM 839 CA ILE A 131 9.278 6.943 3.855 1.00 0.00 C ATOM 840 C ILE A 131 8.435 8.150 3.476 1.00 0.00 C ATOM 841 O ILE A 131 8.125 8.344 2.302 1.00 0.00 O ATOM 842 CB ILE A 131 10.758 7.184 3.464 1.00 0.00 C ATOM 843 CG1 ILE A 131 11.639 6.051 4.002 1.00 0.00 C ATOM 844 CG2 ILE A 131 11.247 8.531 3.985 1.00 0.00 C ATOM 845 CD1 ILE A 131 12.251 5.200 2.916 1.00 0.00 C ATOM 0 H ILE A 131 8.550 5.855 2.220 1.00 0.00 H new ATOM 0 HA ILE A 131 9.243 6.793 4.934 1.00 0.00 H new ATOM 0 HB ILE A 131 10.827 7.197 2.376 1.00 0.00 H new ATOM 0 HG12 ILE A 131 12.436 6.478 4.611 1.00 0.00 H new ATOM 0 HG13 ILE A 131 11.042 5.417 4.657 1.00 0.00 H new ATOM 0 HG21 ILE A 131 12.288 8.676 3.697 1.00 0.00 H new ATOM 0 HG22 ILE A 131 10.638 9.329 3.559 1.00 0.00 H new ATOM 0 HG23 ILE A 131 11.164 8.553 5.072 1.00 0.00 H new ATOM 0 HD11 ILE A 131 12.862 4.418 3.367 1.00 0.00 H new ATOM 0 HD12 ILE A 131 11.459 4.744 2.321 1.00 0.00 H new ATOM 0 HD13 ILE A 131 12.875 5.822 2.274 1.00 0.00 H new ATOM 857 N ASN A 132 8.032 8.928 4.481 1.00 0.00 N ATOM 858 CA ASN A 132 7.203 10.116 4.268 1.00 0.00 C ATOM 859 C ASN A 132 5.878 9.726 3.624 1.00 0.00 C ATOM 860 O ASN A 132 5.302 10.486 2.845 1.00 0.00 O ATOM 861 CB ASN A 132 7.932 11.142 3.389 1.00 0.00 C ATOM 862 CG ASN A 132 7.664 12.576 3.808 1.00 0.00 C ATOM 863 OD1 ASN A 132 8.571 13.287 4.241 1.00 0.00 O ATOM 864 ND2 ASN A 132 6.425 13.020 3.666 1.00 0.00 N ATOM 0 H ASN A 132 8.268 8.755 5.458 1.00 0.00 H new ATOM 0 HA ASN A 132 7.007 10.572 5.239 1.00 0.00 H new ATOM 0 HB2 ASN A 132 9.004 10.951 3.430 1.00 0.00 H new ATOM 0 HB3 ASN A 132 7.624 11.008 2.352 1.00 0.00 H new ATOM 0 HD21 ASN A 132 6.196 13.981 3.919 1.00 0.00 H new ATOM 0 HD22 ASN A 132 5.700 12.401 3.304 1.00 0.00 H new ATOM 871 N GLY A 133 5.404 8.531 3.955 1.00 0.00 N ATOM 872 CA GLY A 133 4.180 8.023 3.368 1.00 0.00 C ATOM 873 C GLY A 133 4.304 7.793 1.873 1.00 0.00 C ATOM 874 O GLY A 133 3.358 8.028 1.125 1.00 0.00 O ATOM 0 H GLY A 133 5.849 7.902 4.623 1.00 0.00 H new ATOM 0 HA2 GLY A 133 3.909 7.086 3.855 1.00 0.00 H new ATOM 0 HA3 GLY A 133 3.370 8.727 3.558 1.00 0.00 H new ATOM 878 N SER A 134 5.473 7.352 1.426 1.00 0.00 N ATOM 879 CA SER A 134 5.694 7.120 0.010 1.00 0.00 C ATOM 880 C SER A 134 6.326 5.750 -0.198 1.00 0.00 C ATOM 881 O SER A 134 7.084 5.279 0.651 1.00 0.00 O ATOM 882 CB SER A 134 6.578 8.221 -0.580 1.00 0.00 C ATOM 883 OG SER A 134 6.353 9.466 0.071 1.00 0.00 O ATOM 0 H SER A 134 6.276 7.150 2.021 1.00 0.00 H new ATOM 0 HA SER A 134 4.735 7.143 -0.507 1.00 0.00 H new ATOM 0 HB2 SER A 134 7.627 7.941 -0.482 1.00 0.00 H new ATOM 0 HB3 SER A 134 6.374 8.323 -1.646 1.00 0.00 H new ATOM 0 HG SER A 134 6.825 9.476 0.930 1.00 0.00 H new ATOM 889 N LEU A 135 6.007 5.119 -1.319 1.00 0.00 N ATOM 890 CA LEU A 135 6.446 3.757 -1.581 1.00 0.00 C ATOM 891 C LEU A 135 7.637 3.732 -2.528 1.00 0.00 C ATOM 892 O LEU A 135 7.529 4.134 -3.687 1.00 0.00 O ATOM 893 CB LEU A 135 5.303 2.930 -2.180 1.00 0.00 C ATOM 894 CG LEU A 135 4.148 2.624 -1.224 1.00 0.00 C ATOM 895 CD1 LEU A 135 2.848 2.432 -1.992 1.00 0.00 C ATOM 896 CD2 LEU A 135 4.459 1.393 -0.390 1.00 0.00 C ATOM 0 H LEU A 135 5.444 5.531 -2.063 1.00 0.00 H new ATOM 0 HA LEU A 135 6.749 3.322 -0.628 1.00 0.00 H new ATOM 0 HB2 LEU A 135 4.906 3.462 -3.045 1.00 0.00 H new ATOM 0 HB3 LEU A 135 5.711 1.987 -2.545 1.00 0.00 H new ATOM 0 HG LEU A 135 4.026 3.475 -0.554 1.00 0.00 H new ATOM 0 HD11 LEU A 135 2.041 2.215 -1.292 1.00 0.00 H new ATOM 0 HD12 LEU A 135 2.615 3.342 -2.545 1.00 0.00 H new ATOM 0 HD13 LEU A 135 2.957 1.601 -2.689 1.00 0.00 H new ATOM 0 HD21 LEU A 135 3.627 1.190 0.284 1.00 0.00 H new ATOM 0 HD22 LEU A 135 4.610 0.537 -1.047 1.00 0.00 H new ATOM 0 HD23 LEU A 135 5.364 1.567 0.193 1.00 0.00 H new ATOM 908 N PHE A 136 8.771 3.273 -2.021 1.00 0.00 N ATOM 909 CA PHE A 136 9.960 3.080 -2.839 1.00 0.00 C ATOM 910 C PHE A 136 10.408 1.628 -2.757 1.00 0.00 C ATOM 911 O PHE A 136 9.863 0.844 -1.973 1.00 0.00 O ATOM 912 CB PHE A 136 11.103 4.000 -2.383 1.00 0.00 C ATOM 913 CG PHE A 136 10.687 5.421 -2.126 1.00 0.00 C ATOM 914 CD1 PHE A 136 10.366 6.264 -3.179 1.00 0.00 C ATOM 915 CD2 PHE A 136 10.626 5.919 -0.833 1.00 0.00 C ATOM 916 CE1 PHE A 136 9.992 7.573 -2.945 1.00 0.00 C ATOM 917 CE2 PHE A 136 10.255 7.228 -0.596 1.00 0.00 C ATOM 918 CZ PHE A 136 9.936 8.054 -1.653 1.00 0.00 C ATOM 0 H PHE A 136 8.894 3.025 -1.039 1.00 0.00 H new ATOM 0 HA PHE A 136 9.710 3.332 -3.870 1.00 0.00 H new ATOM 0 HB2 PHE A 136 11.541 3.592 -1.472 1.00 0.00 H new ATOM 0 HB3 PHE A 136 11.884 3.994 -3.143 1.00 0.00 H new ATOM 0 HD1 PHE A 136 10.409 5.893 -4.193 1.00 0.00 H new ATOM 0 HD2 PHE A 136 10.872 5.275 -0.001 1.00 0.00 H new ATOM 0 HE1 PHE A 136 9.743 8.220 -3.773 1.00 0.00 H new ATOM 0 HE2 PHE A 136 10.215 7.604 0.416 1.00 0.00 H new ATOM 0 HZ PHE A 136 9.642 9.077 -1.470 1.00 0.00 H new ATOM 928 N CYS A 137 11.396 1.274 -3.557 1.00 0.00 N ATOM 929 CA CYS A 137 11.948 -0.064 -3.541 1.00 0.00 C ATOM 930 C CYS A 137 13.427 -0.006 -3.167 1.00 0.00 C ATOM 931 O CYS A 137 13.904 1.021 -2.687 1.00 0.00 O ATOM 932 CB CYS A 137 11.765 -0.705 -4.915 1.00 0.00 C ATOM 933 SG CYS A 137 12.728 0.102 -6.233 1.00 0.00 S ATOM 0 H CYS A 137 11.835 1.902 -4.231 1.00 0.00 H new ATOM 0 HA CYS A 137 11.427 -0.669 -2.799 1.00 0.00 H new ATOM 0 HB2 CYS A 137 12.053 -1.755 -4.858 1.00 0.00 H new ATOM 0 HB3 CYS A 137 10.708 -0.678 -5.181 1.00 0.00 H new ATOM 0 HG CYS A 137 11.983 0.245 -7.289 1.00 0.00 H new ATOM 938 N GLU A 138 14.149 -1.100 -3.384 1.00 0.00 N ATOM 939 CA GLU A 138 15.590 -1.102 -3.158 1.00 0.00 C ATOM 940 C GLU A 138 16.290 -0.416 -4.327 1.00 0.00 C ATOM 941 O GLU A 138 17.378 0.142 -4.182 1.00 0.00 O ATOM 942 CB GLU A 138 16.131 -2.521 -2.985 1.00 0.00 C ATOM 943 CG GLU A 138 17.345 -2.591 -2.073 1.00 0.00 C ATOM 944 CD GLU A 138 17.021 -3.195 -0.725 1.00 0.00 C ATOM 945 OE1 GLU A 138 16.348 -2.519 0.085 1.00 0.00 O ATOM 946 OE2 GLU A 138 17.424 -4.357 -0.484 1.00 0.00 O ATOM 0 H GLU A 138 13.766 -1.987 -3.712 1.00 0.00 H new ATOM 0 HA GLU A 138 15.790 -0.557 -2.235 1.00 0.00 H new ATOM 0 HB2 GLU A 138 15.343 -3.157 -2.580 1.00 0.00 H new ATOM 0 HB3 GLU A 138 16.395 -2.924 -3.963 1.00 0.00 H new ATOM 0 HG2 GLU A 138 18.124 -3.182 -2.555 1.00 0.00 H new ATOM 0 HG3 GLU A 138 17.747 -1.588 -1.931 1.00 0.00 H new ATOM 953 N HIS A 139 15.633 -0.450 -5.479 1.00 0.00 N ATOM 954 CA HIS A 139 16.123 0.215 -6.678 1.00 0.00 C ATOM 955 C HIS A 139 15.906 1.720 -6.528 1.00 0.00 C ATOM 956 O HIS A 139 16.609 2.534 -7.123 1.00 0.00 O ATOM 957 CB HIS A 139 15.375 -0.344 -7.906 1.00 0.00 C ATOM 958 CG HIS A 139 15.641 0.364 -9.203 1.00 0.00 C ATOM 959 ND1 HIS A 139 16.693 0.011 -10.016 1.00 0.00 N ATOM 960 CD2 HIS A 139 14.937 1.358 -9.798 1.00 0.00 C ATOM 961 CE1 HIS A 139 16.604 0.789 -11.079 1.00 0.00 C ATOM 962 NE2 HIS A 139 15.557 1.619 -10.990 1.00 0.00 N ATOM 0 H HIS A 139 14.747 -0.939 -5.608 1.00 0.00 H new ATOM 0 HA HIS A 139 17.188 0.032 -6.817 1.00 0.00 H new ATOM 0 HB2 HIS A 139 15.641 -1.394 -8.024 1.00 0.00 H new ATOM 0 HB3 HIS A 139 14.304 -0.307 -7.705 1.00 0.00 H new ATOM 0 HD2 HIS A 139 14.058 1.849 -9.407 1.00 0.00 H new ATOM 0 HE1 HIS A 139 17.288 0.760 -11.914 1.00 0.00 H new ATOM 0 HE2 HIS A 139 15.275 2.315 -11.680 1.00 0.00 H new ATOM 970 N ASP A 140 14.936 2.066 -5.691 1.00 0.00 N ATOM 971 CA ASP A 140 14.586 3.451 -5.420 1.00 0.00 C ATOM 972 C ASP A 140 14.904 3.808 -3.974 1.00 0.00 C ATOM 973 O ASP A 140 14.314 4.732 -3.412 1.00 0.00 O ATOM 974 CB ASP A 140 13.093 3.665 -5.679 1.00 0.00 C ATOM 975 CG ASP A 140 12.794 4.018 -7.119 1.00 0.00 C ATOM 976 OD1 ASP A 140 12.910 5.219 -7.474 1.00 0.00 O ATOM 977 OD2 ASP A 140 12.456 3.111 -7.907 1.00 0.00 O ATOM 0 H ASP A 140 14.369 1.390 -5.180 1.00 0.00 H new ATOM 0 HA ASP A 140 15.170 4.093 -6.079 1.00 0.00 H new ATOM 0 HB2 ASP A 140 12.549 2.759 -5.411 1.00 0.00 H new ATOM 0 HB3 ASP A 140 12.727 4.461 -5.031 1.00 0.00 H new ATOM 982 N ARG A 141 15.834 3.067 -3.378 1.00 0.00 N ATOM 983 CA ARG A 141 16.175 3.242 -1.966 1.00 0.00 C ATOM 984 C ARG A 141 16.746 4.635 -1.706 1.00 0.00 C ATOM 985 O ARG A 141 17.813 4.980 -2.215 1.00 0.00 O ATOM 986 CB ARG A 141 17.179 2.171 -1.518 1.00 0.00 C ATOM 987 CG ARG A 141 17.442 2.175 -0.021 1.00 0.00 C ATOM 988 CD ARG A 141 18.826 1.638 0.310 1.00 0.00 C ATOM 989 NE ARG A 141 19.203 1.904 1.698 1.00 0.00 N ATOM 990 CZ ARG A 141 19.968 2.935 2.077 1.00 0.00 C ATOM 991 NH1 ARG A 141 20.470 3.768 1.172 1.00 0.00 N ATOM 992 NH2 ARG A 141 20.246 3.121 3.362 1.00 0.00 N ATOM 0 H ARG A 141 16.367 2.337 -3.851 1.00 0.00 H new ATOM 0 HA ARG A 141 15.259 3.133 -1.386 1.00 0.00 H new ATOM 0 HB2 ARG A 141 16.806 1.190 -1.811 1.00 0.00 H new ATOM 0 HB3 ARG A 141 18.121 2.324 -2.045 1.00 0.00 H new ATOM 0 HG2 ARG A 141 17.345 3.191 0.363 1.00 0.00 H new ATOM 0 HG3 ARG A 141 16.687 1.571 0.482 1.00 0.00 H new ATOM 0 HD2 ARG A 141 18.850 0.564 0.128 1.00 0.00 H new ATOM 0 HD3 ARG A 141 19.559 2.091 -0.357 1.00 0.00 H new ATOM 0 HE ARG A 141 18.863 1.267 2.419 1.00 0.00 H new ATOM 0 HH11 ARG A 141 20.273 3.624 0.182 1.00 0.00 H new ATOM 0 HH12 ARG A 141 21.052 4.552 1.468 1.00 0.00 H new ATOM 0 HH21 ARG A 141 19.876 2.478 4.062 1.00 0.00 H new ATOM 0 HH22 ARG A 141 20.829 3.907 3.649 1.00 0.00 H new ATOM 1006 N PRO A 142 16.030 5.455 -0.913 1.00 0.00 N ATOM 1007 CA PRO A 142 16.455 6.821 -0.582 1.00 0.00 C ATOM 1008 C PRO A 142 17.840 6.866 0.069 1.00 0.00 C ATOM 1009 O PRO A 142 18.038 6.358 1.172 1.00 0.00 O ATOM 1010 CB PRO A 142 15.385 7.305 0.404 1.00 0.00 C ATOM 1011 CG PRO A 142 14.197 6.452 0.131 1.00 0.00 C ATOM 1012 CD PRO A 142 14.737 5.115 -0.287 1.00 0.00 C ATOM 0 HA PRO A 142 16.542 7.441 -1.474 1.00 0.00 H new ATOM 0 HB2 PRO A 142 15.720 7.196 1.435 1.00 0.00 H new ATOM 0 HB3 PRO A 142 15.157 8.360 0.253 1.00 0.00 H new ATOM 0 HG2 PRO A 142 13.570 6.360 1.018 1.00 0.00 H new ATOM 0 HG3 PRO A 142 13.577 6.885 -0.654 1.00 0.00 H new ATOM 0 HD2 PRO A 142 14.865 4.448 0.566 1.00 0.00 H new ATOM 0 HD3 PRO A 142 14.070 4.612 -0.988 1.00 0.00 H new ATOM 1020 N THR A 143 18.794 7.476 -0.622 1.00 0.00 N ATOM 1021 CA THR A 143 20.163 7.574 -0.132 1.00 0.00 C ATOM 1022 C THR A 143 20.306 8.657 0.938 1.00 0.00 C ATOM 1023 O THR A 143 21.274 8.669 1.703 1.00 0.00 O ATOM 1024 CB THR A 143 21.120 7.887 -1.294 1.00 0.00 C ATOM 1025 OG1 THR A 143 20.363 8.360 -2.419 1.00 0.00 O ATOM 1026 CG2 THR A 143 21.913 6.652 -1.696 1.00 0.00 C ATOM 0 H THR A 143 18.643 7.914 -1.531 1.00 0.00 H new ATOM 0 HA THR A 143 20.417 6.613 0.314 1.00 0.00 H new ATOM 0 HB THR A 143 21.823 8.654 -0.968 1.00 0.00 H new ATOM 0 HG1 THR A 143 20.971 8.562 -3.161 1.00 0.00 H new ATOM 0 HG21 THR A 143 22.582 6.901 -2.520 1.00 0.00 H new ATOM 0 HG22 THR A 143 22.499 6.303 -0.846 1.00 0.00 H new ATOM 0 HG23 THR A 143 21.227 5.866 -2.011 1.00 0.00 H new ATOM 1034 N ALA A 144 19.339 9.562 0.993 1.00 0.00 N ATOM 1035 CA ALA A 144 19.411 10.690 1.908 1.00 0.00 C ATOM 1036 C ALA A 144 18.586 10.434 3.169 1.00 0.00 C ATOM 1037 O ALA A 144 19.036 9.745 4.090 1.00 0.00 O ATOM 1038 CB ALA A 144 18.954 11.963 1.208 1.00 0.00 C ATOM 0 H ALA A 144 18.498 9.537 0.416 1.00 0.00 H new ATOM 0 HA ALA A 144 20.449 10.815 2.216 1.00 0.00 H new ATOM 0 HB1 ALA A 144 19.012 12.801 1.903 1.00 0.00 H new ATOM 0 HB2 ALA A 144 19.598 12.158 0.350 1.00 0.00 H new ATOM 0 HB3 ALA A 144 17.925 11.843 0.870 1.00 0.00 H new ATOM 1044 N LEU A 145 17.378 10.980 3.201 1.00 0.00 N ATOM 1045 CA LEU A 145 16.516 10.873 4.370 1.00 0.00 C ATOM 1046 C LEU A 145 15.730 9.562 4.363 1.00 0.00 C ATOM 1047 O LEU A 145 14.541 9.539 4.048 1.00 0.00 O ATOM 1048 CB LEU A 145 15.551 12.061 4.428 1.00 0.00 C ATOM 1049 CG LEU A 145 15.749 13.003 5.619 1.00 0.00 C ATOM 1050 CD1 LEU A 145 15.917 14.441 5.145 1.00 0.00 C ATOM 1051 CD2 LEU A 145 14.579 12.901 6.582 1.00 0.00 C ATOM 0 H LEU A 145 16.971 11.504 2.426 1.00 0.00 H new ATOM 0 HA LEU A 145 17.152 10.883 5.255 1.00 0.00 H new ATOM 0 HB2 LEU A 145 15.653 12.637 3.508 1.00 0.00 H new ATOM 0 HB3 LEU A 145 14.530 11.679 4.453 1.00 0.00 H new ATOM 0 HG LEU A 145 16.657 12.702 6.142 1.00 0.00 H new ATOM 0 HD11 LEU A 145 16.056 15.094 6.006 1.00 0.00 H new ATOM 0 HD12 LEU A 145 16.788 14.510 4.493 1.00 0.00 H new ATOM 0 HD13 LEU A 145 15.027 14.749 4.596 1.00 0.00 H new ATOM 0 HD21 LEU A 145 14.739 13.578 7.421 1.00 0.00 H new ATOM 0 HD22 LEU A 145 13.658 13.173 6.066 1.00 0.00 H new ATOM 0 HD23 LEU A 145 14.499 11.878 6.951 1.00 0.00 H new ATOM 1063 N ILE A 146 16.406 8.472 4.690 1.00 0.00 N ATOM 1064 CA ILE A 146 15.752 7.183 4.823 1.00 0.00 C ATOM 1065 C ILE A 146 15.445 6.913 6.291 1.00 0.00 C ATOM 1066 O ILE A 146 16.341 6.903 7.136 1.00 0.00 O ATOM 1067 CB ILE A 146 16.611 6.032 4.241 1.00 0.00 C ATOM 1068 CG1 ILE A 146 16.003 4.668 4.593 1.00 0.00 C ATOM 1069 CG2 ILE A 146 18.054 6.119 4.732 1.00 0.00 C ATOM 1070 CD1 ILE A 146 16.454 3.552 3.678 1.00 0.00 C ATOM 0 H ILE A 146 17.410 8.456 4.868 1.00 0.00 H new ATOM 0 HA ILE A 146 14.825 7.220 4.251 1.00 0.00 H new ATOM 0 HB ILE A 146 16.617 6.137 3.156 1.00 0.00 H new ATOM 0 HG12 ILE A 146 16.268 4.415 5.620 1.00 0.00 H new ATOM 0 HG13 ILE A 146 14.916 4.743 4.554 1.00 0.00 H new ATOM 0 HG21 ILE A 146 18.633 5.299 4.307 1.00 0.00 H new ATOM 0 HG22 ILE A 146 18.488 7.069 4.420 1.00 0.00 H new ATOM 0 HG23 ILE A 146 18.073 6.051 5.820 1.00 0.00 H new ATOM 0 HD11 ILE A 146 15.985 2.617 3.986 1.00 0.00 H new ATOM 0 HD12 ILE A 146 16.165 3.783 2.653 1.00 0.00 H new ATOM 0 HD13 ILE A 146 17.538 3.450 3.735 1.00 0.00 H new ATOM 1146 N GLY A 207 17.183 -2.372 5.223 1.00 0.00 N ATOM 1147 CA GLY A 207 16.367 -3.139 4.304 1.00 0.00 C ATOM 1148 C GLY A 207 15.037 -3.516 4.920 1.00 0.00 C ATOM 1149 O GLY A 207 14.992 -4.024 6.042 1.00 0.00 O ATOM 0 HA2 GLY A 207 16.197 -2.559 3.397 1.00 0.00 H new ATOM 0 HA3 GLY A 207 16.901 -4.042 4.009 1.00 0.00 H new ATOM 1153 N SER A 208 13.958 -3.255 4.203 1.00 0.00 N ATOM 1154 CA SER A 208 12.622 -3.549 4.699 1.00 0.00 C ATOM 1155 C SER A 208 11.886 -4.518 3.778 1.00 0.00 C ATOM 1156 O SER A 208 11.968 -4.414 2.554 1.00 0.00 O ATOM 1157 CB SER A 208 11.825 -2.253 4.853 1.00 0.00 C ATOM 1158 OG SER A 208 12.678 -1.120 4.788 1.00 0.00 O ATOM 0 H SER A 208 13.980 -2.839 3.272 1.00 0.00 H new ATOM 0 HA SER A 208 12.721 -4.028 5.673 1.00 0.00 H new ATOM 0 HB2 SER A 208 11.071 -2.190 4.068 1.00 0.00 H new ATOM 0 HB3 SER A 208 11.295 -2.259 5.805 1.00 0.00 H new ATOM 0 HG SER A 208 12.145 -0.303 4.887 1.00 0.00 H new ATOM 1164 N ILE A 404 11.180 -5.464 4.383 1.00 0.00 N ATOM 1165 CA ILE A 404 10.400 -6.450 3.644 1.00 0.00 C ATOM 1166 C ILE A 404 8.927 -6.058 3.655 1.00 0.00 C ATOM 1167 O ILE A 404 8.433 -5.540 4.658 1.00 0.00 O ATOM 1168 CB ILE A 404 10.556 -7.862 4.266 1.00 0.00 C ATOM 1169 CG1 ILE A 404 12.038 -8.228 4.411 1.00 0.00 C ATOM 1170 CG2 ILE A 404 9.827 -8.911 3.436 1.00 0.00 C ATOM 1171 CD1 ILE A 404 12.784 -8.338 3.095 1.00 0.00 C ATOM 0 H ILE A 404 11.131 -5.570 5.396 1.00 0.00 H new ATOM 0 HA ILE A 404 10.771 -6.476 2.619 1.00 0.00 H new ATOM 0 HB ILE A 404 10.105 -7.842 5.258 1.00 0.00 H new ATOM 0 HG12 ILE A 404 12.527 -7.477 5.031 1.00 0.00 H new ATOM 0 HG13 ILE A 404 12.116 -9.178 4.940 1.00 0.00 H new ATOM 0 HG21 ILE A 404 9.954 -9.891 3.896 1.00 0.00 H new ATOM 0 HG22 ILE A 404 8.766 -8.666 3.390 1.00 0.00 H new ATOM 0 HG23 ILE A 404 10.239 -8.928 2.427 1.00 0.00 H new ATOM 0 HD11 ILE A 404 13.824 -8.600 3.287 1.00 0.00 H new ATOM 0 HD12 ILE A 404 12.323 -9.110 2.479 1.00 0.00 H new ATOM 0 HD13 ILE A 404 12.741 -7.383 2.571 1.00 0.00 H new ATOM 1183 N ALA A 405 8.235 -6.283 2.536 1.00 0.00 N ATOM 1184 CA ALA A 405 6.803 -5.998 2.440 1.00 0.00 C ATOM 1185 C ALA A 405 6.028 -6.669 3.575 1.00 0.00 C ATOM 1186 O ALA A 405 6.264 -7.836 3.896 1.00 0.00 O ATOM 1187 CB ALA A 405 6.265 -6.453 1.089 1.00 0.00 C ATOM 0 H ALA A 405 8.645 -6.662 1.682 1.00 0.00 H new ATOM 0 HA ALA A 405 6.666 -4.921 2.531 1.00 0.00 H new ATOM 0 HB1 ALA A 405 5.199 -6.235 1.030 1.00 0.00 H new ATOM 0 HB2 ALA A 405 6.788 -5.924 0.292 1.00 0.00 H new ATOM 0 HB3 ALA A 405 6.423 -7.526 0.977 1.00 0.00 H new ATOM 1193 N PRO A 406 5.079 -5.940 4.186 1.00 0.00 N ATOM 1194 CA PRO A 406 4.333 -6.403 5.364 1.00 0.00 C ATOM 1195 C PRO A 406 3.318 -7.501 5.045 1.00 0.00 C ATOM 1196 O PRO A 406 2.591 -7.945 5.937 1.00 0.00 O ATOM 1197 CB PRO A 406 3.599 -5.144 5.853 1.00 0.00 C ATOM 1198 CG PRO A 406 4.190 -4.009 5.084 1.00 0.00 C ATOM 1199 CD PRO A 406 4.658 -4.593 3.789 1.00 0.00 C ATOM 0 HA PRO A 406 5.006 -6.845 6.099 1.00 0.00 H new ATOM 0 HB2 PRO A 406 2.527 -5.222 5.675 1.00 0.00 H new ATOM 0 HB3 PRO A 406 3.734 -5.003 6.925 1.00 0.00 H new ATOM 0 HG2 PRO A 406 3.452 -3.225 4.915 1.00 0.00 H new ATOM 0 HG3 PRO A 406 5.017 -3.556 5.630 1.00 0.00 H new ATOM 0 HD2 PRO A 406 3.863 -4.619 3.044 1.00 0.00 H new ATOM 0 HD3 PRO A 406 5.480 -4.021 3.358 1.00 0.00 H new ATOM 1207 N PHE A 407 3.274 -7.920 3.774 1.00 0.00 N ATOM 1208 CA PHE A 407 2.373 -8.984 3.311 1.00 0.00 C ATOM 1209 C PHE A 407 0.923 -8.492 3.227 1.00 0.00 C ATOM 1210 O PHE A 407 0.551 -7.506 3.865 1.00 0.00 O ATOM 1211 CB PHE A 407 2.465 -10.217 4.227 1.00 0.00 C ATOM 1212 CG PHE A 407 3.486 -11.229 3.784 1.00 0.00 C ATOM 1213 CD1 PHE A 407 4.836 -11.045 4.058 1.00 0.00 C ATOM 1214 CD2 PHE A 407 3.094 -12.368 3.099 1.00 0.00 C ATOM 1215 CE1 PHE A 407 5.770 -11.978 3.654 1.00 0.00 C ATOM 1216 CE2 PHE A 407 4.028 -13.305 2.693 1.00 0.00 C ATOM 1217 CZ PHE A 407 5.366 -13.108 2.971 1.00 0.00 C ATOM 0 H PHE A 407 3.862 -7.531 3.037 1.00 0.00 H new ATOM 0 HA PHE A 407 2.692 -9.270 2.309 1.00 0.00 H new ATOM 0 HB2 PHE A 407 2.707 -9.889 5.238 1.00 0.00 H new ATOM 0 HB3 PHE A 407 1.488 -10.697 4.273 1.00 0.00 H new ATOM 0 HD1 PHE A 407 5.158 -10.163 4.592 1.00 0.00 H new ATOM 0 HD2 PHE A 407 2.048 -12.526 2.880 1.00 0.00 H new ATOM 0 HE1 PHE A 407 6.816 -11.824 3.872 1.00 0.00 H new ATOM 0 HE2 PHE A 407 3.711 -14.189 2.160 1.00 0.00 H new ATOM 0 HZ PHE A 407 6.097 -13.838 2.654 1.00 0.00 H new ATOM 1227 N PRO A 408 0.091 -9.152 2.403 1.00 0.00 N ATOM 1228 CA PRO A 408 -1.322 -8.818 2.271 1.00 0.00 C ATOM 1229 C PRO A 408 -2.171 -9.475 3.359 1.00 0.00 C ATOM 1230 O PRO A 408 -1.996 -10.655 3.674 1.00 0.00 O ATOM 1231 CB PRO A 408 -1.702 -9.371 0.883 1.00 0.00 C ATOM 1232 CG PRO A 408 -0.475 -10.053 0.347 1.00 0.00 C ATOM 1233 CD PRO A 408 0.452 -10.260 1.513 1.00 0.00 C ATOM 0 HA PRO A 408 -1.498 -7.747 2.374 1.00 0.00 H new ATOM 0 HB2 PRO A 408 -2.534 -10.071 0.959 1.00 0.00 H new ATOM 0 HB3 PRO A 408 -2.021 -8.568 0.219 1.00 0.00 H new ATOM 0 HG2 PRO A 408 -0.733 -11.006 -0.115 1.00 0.00 H new ATOM 0 HG3 PRO A 408 0.001 -9.444 -0.422 1.00 0.00 H new ATOM 0 HD2 PRO A 408 0.298 -11.229 1.988 1.00 0.00 H new ATOM 0 HD3 PRO A 408 1.499 -10.215 1.213 1.00 0.00 H new ATOM 1241 N GLU A 409 -3.087 -8.704 3.928 1.00 0.00 N ATOM 1242 CA GLU A 409 -3.980 -9.196 4.971 1.00 0.00 C ATOM 1243 C GLU A 409 -5.398 -8.679 4.737 1.00 0.00 C ATOM 1244 O GLU A 409 -5.641 -7.939 3.786 1.00 0.00 O ATOM 1245 CB GLU A 409 -3.479 -8.768 6.356 1.00 0.00 C ATOM 1246 CG GLU A 409 -3.100 -7.297 6.447 1.00 0.00 C ATOM 1247 CD GLU A 409 -3.358 -6.709 7.818 1.00 0.00 C ATOM 1248 OE1 GLU A 409 -4.239 -7.224 8.536 1.00 0.00 O ATOM 1249 OE2 GLU A 409 -2.687 -5.724 8.184 1.00 0.00 O ATOM 0 H GLU A 409 -3.233 -7.725 3.682 1.00 0.00 H new ATOM 0 HA GLU A 409 -3.992 -10.285 4.931 1.00 0.00 H new ATOM 0 HB2 GLU A 409 -4.253 -8.980 7.093 1.00 0.00 H new ATOM 0 HB3 GLU A 409 -2.612 -9.374 6.621 1.00 0.00 H new ATOM 0 HG2 GLU A 409 -2.045 -7.182 6.200 1.00 0.00 H new ATOM 0 HG3 GLU A 409 -3.664 -6.734 5.703 1.00 0.00 H new ATOM 1256 N ALA A 410 -6.335 -9.081 5.584 1.00 0.00 N ATOM 1257 CA ALA A 410 -7.716 -8.639 5.451 1.00 0.00 C ATOM 1258 C ALA A 410 -7.995 -7.464 6.379 1.00 0.00 C ATOM 1259 O ALA A 410 -7.736 -7.535 7.583 1.00 0.00 O ATOM 1260 CB ALA A 410 -8.678 -9.781 5.735 1.00 0.00 C ATOM 0 H ALA A 410 -6.165 -9.711 6.368 1.00 0.00 H new ATOM 0 HA ALA A 410 -7.869 -8.311 4.423 1.00 0.00 H new ATOM 0 HB1 ALA A 410 -9.704 -9.427 5.630 1.00 0.00 H new ATOM 0 HB2 ALA A 410 -8.499 -10.592 5.029 1.00 0.00 H new ATOM 0 HB3 ALA A 410 -8.522 -10.144 6.751 1.00 0.00 H new ATOM 1266 N ALA A 411 -8.510 -6.382 5.815 1.00 0.00 N ATOM 1267 CA ALA A 411 -8.858 -5.207 6.600 1.00 0.00 C ATOM 1268 C ALA A 411 -10.332 -5.243 6.984 1.00 0.00 C ATOM 1269 O ALA A 411 -10.994 -6.270 6.827 1.00 0.00 O ATOM 1270 CB ALA A 411 -8.533 -3.933 5.828 1.00 0.00 C ATOM 0 H ALA A 411 -8.696 -6.293 4.816 1.00 0.00 H new ATOM 0 HA ALA A 411 -8.265 -5.212 7.514 1.00 0.00 H new ATOM 0 HB1 ALA A 411 -8.800 -3.065 6.430 1.00 0.00 H new ATOM 0 HB2 ALA A 411 -7.467 -3.905 5.604 1.00 0.00 H new ATOM 0 HB3 ALA A 411 -9.100 -3.917 4.897 1.00 0.00 H new ATOM 1276 N LEU A 412 -10.836 -4.125 7.490 1.00 0.00 N ATOM 1277 CA LEU A 412 -12.231 -4.031 7.889 1.00 0.00 C ATOM 1278 C LEU A 412 -13.134 -4.002 6.661 1.00 0.00 C ATOM 1279 O LEU A 412 -12.919 -3.212 5.743 1.00 0.00 O ATOM 1280 CB LEU A 412 -12.461 -2.785 8.753 1.00 0.00 C ATOM 1281 CG LEU A 412 -12.164 -2.974 10.240 1.00 0.00 C ATOM 1282 CD1 LEU A 412 -11.168 -1.929 10.724 1.00 0.00 C ATOM 1283 CD2 LEU A 412 -13.451 -2.908 11.050 1.00 0.00 C ATOM 0 H LEU A 412 -10.298 -3.271 7.633 1.00 0.00 H new ATOM 0 HA LEU A 412 -12.480 -4.911 8.482 1.00 0.00 H new ATOM 0 HB2 LEU A 412 -11.838 -1.976 8.372 1.00 0.00 H new ATOM 0 HB3 LEU A 412 -13.498 -2.469 8.641 1.00 0.00 H new ATOM 0 HG LEU A 412 -11.719 -3.959 10.382 1.00 0.00 H new ATOM 0 HD11 LEU A 412 -10.969 -2.080 11.785 1.00 0.00 H new ATOM 0 HD12 LEU A 412 -10.238 -2.025 10.163 1.00 0.00 H new ATOM 0 HD13 LEU A 412 -11.583 -0.933 10.571 1.00 0.00 H new ATOM 0 HD21 LEU A 412 -13.223 -3.044 12.107 1.00 0.00 H new ATOM 0 HD22 LEU A 412 -13.924 -1.937 10.903 1.00 0.00 H new ATOM 0 HD23 LEU A 412 -14.129 -3.695 10.721 1.00 0.00 H new ATOM 1295 N PRO A 413 -14.149 -4.872 6.629 1.00 0.00 N ATOM 1296 CA PRO A 413 -15.040 -5.013 5.478 1.00 0.00 C ATOM 1297 C PRO A 413 -15.994 -3.830 5.325 1.00 0.00 C ATOM 1298 O PRO A 413 -16.657 -3.422 6.282 1.00 0.00 O ATOM 1299 CB PRO A 413 -15.838 -6.291 5.788 1.00 0.00 C ATOM 1300 CG PRO A 413 -15.165 -6.913 6.969 1.00 0.00 C ATOM 1301 CD PRO A 413 -14.512 -5.787 7.711 1.00 0.00 C ATOM 0 HA PRO A 413 -14.479 -5.055 4.545 1.00 0.00 H new ATOM 0 HB2 PRO A 413 -16.880 -6.058 6.009 1.00 0.00 H new ATOM 0 HB3 PRO A 413 -15.837 -6.969 4.935 1.00 0.00 H new ATOM 0 HG2 PRO A 413 -15.886 -7.431 7.601 1.00 0.00 H new ATOM 0 HG3 PRO A 413 -14.428 -7.652 6.654 1.00 0.00 H new ATOM 0 HD2 PRO A 413 -15.191 -5.323 8.426 1.00 0.00 H new ATOM 0 HD3 PRO A 413 -13.639 -6.121 8.272 1.00 0.00 H new ATOM 1309 N THR A 414 -16.061 -3.284 4.121 1.00 0.00 N ATOM 1310 CA THR A 414 -16.960 -2.178 3.833 1.00 0.00 C ATOM 1311 C THR A 414 -18.399 -2.676 3.617 1.00 0.00 C ATOM 1312 O THR A 414 -18.624 -3.867 3.378 1.00 0.00 O ATOM 1313 CB THR A 414 -16.442 -1.380 2.611 1.00 0.00 C ATOM 1314 OG1 THR A 414 -16.331 0.010 2.947 1.00 0.00 O ATOM 1315 CG2 THR A 414 -17.332 -1.542 1.383 1.00 0.00 C ATOM 0 H THR A 414 -15.501 -3.590 3.325 1.00 0.00 H new ATOM 0 HA THR A 414 -16.980 -1.509 4.693 1.00 0.00 H new ATOM 0 HB THR A 414 -15.463 -1.785 2.357 1.00 0.00 H new ATOM 0 HG1 THR A 414 -17.227 0.395 3.046 1.00 0.00 H new ATOM 0 HG21 THR A 414 -16.921 -0.961 0.557 1.00 0.00 H new ATOM 0 HG22 THR A 414 -17.375 -2.594 1.101 1.00 0.00 H new ATOM 0 HG23 THR A 414 -18.337 -1.187 1.612 1.00 0.00 H new ATOM 1323 N SER A 415 -19.361 -1.764 3.732 1.00 0.00 N ATOM 1324 CA SER A 415 -20.777 -2.092 3.584 1.00 0.00 C ATOM 1325 C SER A 415 -21.115 -2.607 2.178 1.00 0.00 C ATOM 1326 O SER A 415 -20.408 -2.323 1.209 1.00 0.00 O ATOM 1327 CB SER A 415 -21.604 -0.850 3.899 1.00 0.00 C ATOM 1328 OG SER A 415 -20.800 0.139 4.517 1.00 0.00 O ATOM 0 H SER A 415 -19.182 -0.779 3.930 1.00 0.00 H new ATOM 0 HA SER A 415 -21.014 -2.897 4.280 1.00 0.00 H new ATOM 0 HB2 SER A 415 -22.038 -0.453 2.981 1.00 0.00 H new ATOM 0 HB3 SER A 415 -22.433 -1.115 4.555 1.00 0.00 H new ATOM 0 HG SER A 415 -21.345 0.930 4.711 1.00 0.00 H new