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 115 CYS SG : rot 26:sc= 2.3 USER MOD Set 1.2: A 118 CYS SG : rot 56:sc= -1.46! USER MOD Set 1.3: A 120 ASN : amide:sc= 0.999 K(o=0.24,f=-0.56) USER MOD Set 1.4: A 137 CYS SG : rot 42:sc= -1.6! USER MOD Set 1.5: A 139 HIS : no HD1:sc= 0 X(o=0.24,f=0.18) USER MOD Set 2.1: A 108 TYR OH : rot 180:sc= 0.642 USER MOD Set 2.2: A 130 TYR OH : rot 19:sc= 0.703 USER MOD Set 3.1: A 87 CYS SG : rot -161:sc= 1.26 USER MOD Set 3.2: A 90 CYS SG : rot -56:sc= 1.15! USER MOD Set 3.3: A 109 HIS : no HD1:sc= -1.72 X(o=-5,f=-4.6) USER MOD Set 3.4: A 112 CYS SG : rot -153:sc= -5.66! USER MOD Set 4.1: A 88 SER OG : rot -95:sc= 0.86 USER MOD Set 4.2: A 106 ASN : amide:sc= 0.901 X(o=1.8,f=2.1) USER MOD Single : A 83 ASN : amide:sc=-0.00338 K(o=-0.0034,f=-1.6) USER MOD Single : A 84 SER OG : rot 15:sc= 1.14 USER MOD Single : A 92 GLN : amide:sc= -0.177 K(o=-0.18,f=-1.9!) USER MOD Single : A 93 SER OG : rot 92:sc= 1.18 USER MOD Single : A 97 SER OG : rot 180:sc= 0.077 USER MOD Single : A 101 MET CE :methyl 149:sc= -0.125 (180deg=-1.96!) USER MOD Single : A 104 GLN : amide:sc= -0.0529 K(o=-0.053,f=-1.7!) USER MOD Single : A 111 LYS NZ :NH3+ -147:sc= 1.12 (180deg=-0.96) USER MOD Single : A 114 THR OG1 : rot -90:sc= 1.09 USER MOD Single : A 116 SER OG : rot -155:sc= 0.478 USER MOD Single : A 117 THR OG1 : rot 170:sc= 0 USER MOD Single : A 129 HIS : no HD1:sc= -1.91 K(o=-1.9,f=-3.2!) USER MOD Single : A 132 ASN : amide:sc= 0 X(o=0,f=-0.025) USER MOD Single : A 134 SER OG : rot 79:sc= 0.146 USER MOD Single : A 143 THR OG1 : rot 180:sc= 0.152 USER MOD Single : A 208 SER OG : rot 91:sc= 1.14 USER MOD Single : A 414 THR OG1 : rot 180:sc= -0.0103 USER MOD Single : A 415 SER OG : rot -62:sc= 1.25 USER MOD ----------------------------------------------------------------- ATOM 61 N ARG A 79 -15.632 7.321 -2.460 1.00 0.00 N ATOM 62 CA ARG A 79 -14.580 6.389 -2.848 1.00 0.00 C ATOM 63 C ARG A 79 -14.754 5.060 -2.121 1.00 0.00 C ATOM 64 O ARG A 79 -13.805 4.297 -1.962 1.00 0.00 O ATOM 65 CB ARG A 79 -13.198 6.975 -2.541 1.00 0.00 C ATOM 66 CG ARG A 79 -12.257 6.967 -3.733 1.00 0.00 C ATOM 67 CD ARG A 79 -10.940 7.659 -3.409 1.00 0.00 C ATOM 68 NE ARG A 79 -9.859 7.224 -4.295 1.00 0.00 N ATOM 69 CZ ARG A 79 -8.721 7.896 -4.477 1.00 0.00 C ATOM 70 NH1 ARG A 79 -8.504 9.040 -3.830 1.00 0.00 N ATOM 71 NH2 ARG A 79 -7.801 7.422 -5.304 1.00 0.00 N ATOM 0 HA ARG A 79 -14.656 6.218 -3.922 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -13.317 8.000 -2.189 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -12.745 6.409 -1.727 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -12.063 5.939 -4.038 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -12.733 7.466 -4.577 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -11.067 8.738 -3.495 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -10.666 7.452 -2.374 1.00 0.00 H new ATOM 0 HE ARG A 79 -9.984 6.350 -4.806 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -9.210 9.407 -3.191 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -7.632 9.549 -3.973 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -7.964 6.545 -5.800 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -6.930 7.934 -5.445 1.00 0.00 H new ATOM 85 N LEU A 80 -15.977 4.794 -1.674 1.00 0.00 N ATOM 86 CA LEU A 80 -16.270 3.577 -0.921 1.00 0.00 C ATOM 87 C LEU A 80 -17.620 2.999 -1.332 1.00 0.00 C ATOM 88 O LEU A 80 -18.619 3.716 -1.384 1.00 0.00 O ATOM 89 CB LEU A 80 -16.283 3.845 0.593 1.00 0.00 C ATOM 90 CG LEU A 80 -15.230 4.824 1.113 1.00 0.00 C ATOM 91 CD1 LEU A 80 -15.829 6.209 1.296 1.00 0.00 C ATOM 92 CD2 LEU A 80 -14.637 4.321 2.420 1.00 0.00 C ATOM 0 H LEU A 80 -16.782 5.404 -1.819 1.00 0.00 H new ATOM 0 HA LEU A 80 -15.480 2.861 -1.149 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -17.268 4.224 0.866 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -16.153 2.895 1.111 1.00 0.00 H new ATOM 0 HG LEU A 80 -14.431 4.893 0.375 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -15.063 6.890 1.667 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -16.206 6.572 0.340 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -16.648 6.159 2.013 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -13.889 5.029 2.777 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -15.427 4.222 3.164 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -14.169 3.350 2.257 1.00 0.00 H new ATOM 104 N PHE A 81 -17.645 1.703 -1.613 1.00 0.00 N ATOM 105 CA PHE A 81 -18.881 1.009 -1.948 1.00 0.00 C ATOM 106 C PHE A 81 -19.624 0.668 -0.663 1.00 0.00 C ATOM 107 O PHE A 81 -19.221 -0.224 0.080 1.00 0.00 O ATOM 108 CB PHE A 81 -18.584 -0.269 -2.751 1.00 0.00 C ATOM 109 CG PHE A 81 -18.122 -0.019 -4.163 1.00 0.00 C ATOM 110 CD1 PHE A 81 -16.996 0.749 -4.421 1.00 0.00 C ATOM 111 CD2 PHE A 81 -18.816 -0.559 -5.235 1.00 0.00 C ATOM 112 CE1 PHE A 81 -16.571 0.972 -5.717 1.00 0.00 C ATOM 113 CE2 PHE A 81 -18.394 -0.341 -6.535 1.00 0.00 C ATOM 114 CZ PHE A 81 -17.271 0.428 -6.776 1.00 0.00 C ATOM 0 H PHE A 81 -16.817 1.108 -1.615 1.00 0.00 H new ATOM 0 HA PHE A 81 -19.502 1.657 -2.566 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -17.820 -0.844 -2.227 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -19.483 -0.884 -2.779 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -16.444 1.178 -3.598 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -19.697 -1.157 -5.053 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -15.692 1.571 -5.902 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -18.942 -0.771 -7.360 1.00 0.00 H new ATOM 0 HZ PHE A 81 -16.942 0.603 -7.790 1.00 0.00 H new ATOM 124 N GLY A 82 -20.678 1.415 -0.373 1.00 0.00 N ATOM 125 CA GLY A 82 -21.409 1.207 0.861 1.00 0.00 C ATOM 126 C GLY A 82 -20.776 1.948 2.026 1.00 0.00 C ATOM 127 O GLY A 82 -21.209 1.806 3.169 1.00 0.00 O ATOM 0 H GLY A 82 -21.040 2.160 -0.968 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -22.438 1.542 0.734 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -21.446 0.141 1.086 1.00 0.00 H new ATOM 131 N ASN A 83 -19.747 2.742 1.717 1.00 0.00 N ATOM 132 CA ASN A 83 -19.037 3.550 2.715 1.00 0.00 C ATOM 133 C ASN A 83 -18.423 2.675 3.808 1.00 0.00 C ATOM 134 O ASN A 83 -18.694 2.856 4.996 1.00 0.00 O ATOM 135 CB ASN A 83 -19.972 4.602 3.334 1.00 0.00 C ATOM 136 CG ASN A 83 -19.219 5.772 3.946 1.00 0.00 C ATOM 137 OD1 ASN A 83 -18.005 5.717 4.140 1.00 0.00 O ATOM 138 ND2 ASN A 83 -19.938 6.840 4.260 1.00 0.00 N ATOM 0 H ASN A 83 -19.382 2.843 0.770 1.00 0.00 H new ATOM 0 HA ASN A 83 -18.226 4.066 2.201 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -20.651 4.974 2.567 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -20.586 4.130 4.101 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -19.487 7.654 4.678 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -20.943 6.848 4.084 1.00 0.00 H new ATOM 145 N SER A 84 -17.606 1.715 3.400 1.00 0.00 N ATOM 146 CA SER A 84 -16.880 0.873 4.342 1.00 0.00 C ATOM 147 C SER A 84 -15.653 0.258 3.671 1.00 0.00 C ATOM 148 O SER A 84 -15.776 -0.626 2.820 1.00 0.00 O ATOM 149 CB SER A 84 -17.786 -0.224 4.901 1.00 0.00 C ATOM 150 OG SER A 84 -18.715 0.309 5.835 1.00 0.00 O ATOM 0 H SER A 84 -17.428 1.499 2.419 1.00 0.00 H new ATOM 0 HA SER A 84 -16.549 1.498 5.171 1.00 0.00 H new ATOM 0 HB2 SER A 84 -18.323 -0.708 4.085 1.00 0.00 H new ATOM 0 HB3 SER A 84 -17.180 -0.991 5.383 1.00 0.00 H new ATOM 0 HG SER A 84 -18.736 1.285 5.755 1.00 0.00 H new ATOM 156 N GLY A 85 -14.480 0.758 4.044 1.00 0.00 N ATOM 157 CA GLY A 85 -13.234 0.235 3.511 1.00 0.00 C ATOM 158 C GLY A 85 -12.884 0.817 2.152 1.00 0.00 C ATOM 159 O GLY A 85 -13.735 0.895 1.268 1.00 0.00 O ATOM 0 H GLY A 85 -14.369 1.522 4.711 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -12.427 0.449 4.211 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -13.306 -0.850 3.429 1.00 0.00 H new ATOM 163 N ALA A 86 -11.633 1.236 1.989 1.00 0.00 N ATOM 164 CA ALA A 86 -11.151 1.757 0.714 1.00 0.00 C ATOM 165 C ALA A 86 -9.627 1.865 0.729 1.00 0.00 C ATOM 166 O ALA A 86 -9.026 2.052 1.788 1.00 0.00 O ATOM 167 CB ALA A 86 -11.775 3.117 0.414 1.00 0.00 C ATOM 0 H ALA A 86 -10.931 1.225 2.729 1.00 0.00 H new ATOM 0 HA ALA A 86 -11.447 1.064 -0.073 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -11.401 3.486 -0.541 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -12.859 3.017 0.365 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -11.511 3.821 1.203 1.00 0.00 H new ATOM 173 N CYS A 87 -9.007 1.733 -0.437 1.00 0.00 N ATOM 174 CA CYS A 87 -7.565 1.870 -0.551 1.00 0.00 C ATOM 175 C CYS A 87 -7.236 3.202 -1.209 1.00 0.00 C ATOM 176 O CYS A 87 -7.987 3.693 -2.058 1.00 0.00 O ATOM 177 CB CYS A 87 -6.973 0.677 -1.315 1.00 0.00 C ATOM 178 SG CYS A 87 -5.911 1.083 -2.744 1.00 0.00 S ATOM 0 H CYS A 87 -9.483 1.531 -1.316 1.00 0.00 H new ATOM 0 HA CYS A 87 -7.110 1.865 0.440 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -6.392 0.076 -0.615 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -7.795 0.052 -1.665 1.00 0.00 H new ATOM 0 HG CYS A 87 -5.807 0.043 -3.517 1.00 0.00 H new ATOM 183 N SER A 88 -6.128 3.792 -0.790 1.00 0.00 N ATOM 184 CA SER A 88 -5.783 5.148 -1.179 1.00 0.00 C ATOM 185 C SER A 88 -5.123 5.200 -2.554 1.00 0.00 C ATOM 186 O SER A 88 -4.950 6.276 -3.125 1.00 0.00 O ATOM 187 CB SER A 88 -4.850 5.751 -0.135 1.00 0.00 C ATOM 188 OG SER A 88 -4.814 4.944 1.036 1.00 0.00 O ATOM 0 H SER A 88 -5.447 3.347 -0.175 1.00 0.00 H new ATOM 0 HA SER A 88 -6.706 5.725 -1.238 1.00 0.00 H new ATOM 0 HB2 SER A 88 -3.846 5.845 -0.549 1.00 0.00 H new ATOM 0 HB3 SER A 88 -5.184 6.756 0.121 1.00 0.00 H new ATOM 0 HG SER A 88 -5.456 5.290 1.691 1.00 0.00 H new ATOM 194 N ALA A 89 -4.760 4.044 -3.088 1.00 0.00 N ATOM 195 CA ALA A 89 -4.050 4.004 -4.354 1.00 0.00 C ATOM 196 C ALA A 89 -5.016 4.040 -5.526 1.00 0.00 C ATOM 197 O ALA A 89 -4.827 4.810 -6.470 1.00 0.00 O ATOM 198 CB ALA A 89 -3.159 2.780 -4.430 1.00 0.00 C ATOM 0 H ALA A 89 -4.943 3.132 -2.670 1.00 0.00 H new ATOM 0 HA ALA A 89 -3.420 4.891 -4.413 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -2.636 2.769 -5.386 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -2.431 2.809 -3.619 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -3.768 1.881 -4.339 1.00 0.00 H new ATOM 204 N CYS A 90 -6.059 3.223 -5.470 1.00 0.00 N ATOM 205 CA CYS A 90 -7.021 3.172 -6.558 1.00 0.00 C ATOM 206 C CYS A 90 -8.298 3.929 -6.192 1.00 0.00 C ATOM 207 O CYS A 90 -8.499 5.070 -6.612 1.00 0.00 O ATOM 208 CB CYS A 90 -7.322 1.713 -6.951 1.00 0.00 C ATOM 209 SG CYS A 90 -8.170 0.707 -5.684 1.00 0.00 S ATOM 0 H CYS A 90 -6.258 2.594 -4.692 1.00 0.00 H new ATOM 0 HA CYS A 90 -6.584 3.666 -7.426 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -7.934 1.718 -7.853 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -6.382 1.224 -7.207 1.00 0.00 H new ATOM 0 HG CYS A 90 -7.478 0.721 -4.584 1.00 0.00 H new ATOM 214 N GLY A 91 -9.128 3.302 -5.379 1.00 0.00 N ATOM 215 CA GLY A 91 -10.401 3.874 -5.000 1.00 0.00 C ATOM 216 C GLY A 91 -11.454 2.806 -4.783 1.00 0.00 C ATOM 217 O GLY A 91 -12.599 3.109 -4.446 1.00 0.00 O ATOM 0 H GLY A 91 -8.938 2.389 -4.967 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -10.280 4.457 -4.087 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -10.736 4.563 -5.776 1.00 0.00 H new ATOM 221 N GLN A 92 -11.071 1.551 -4.989 1.00 0.00 N ATOM 222 CA GLN A 92 -11.972 0.435 -4.760 1.00 0.00 C ATOM 223 C GLN A 92 -11.973 0.054 -3.283 1.00 0.00 C ATOM 224 O GLN A 92 -10.954 0.169 -2.599 1.00 0.00 O ATOM 225 CB GLN A 92 -11.555 -0.768 -5.613 1.00 0.00 C ATOM 226 CG GLN A 92 -12.505 -1.956 -5.512 1.00 0.00 C ATOM 227 CD GLN A 92 -13.431 -2.088 -6.707 1.00 0.00 C ATOM 228 OE1 GLN A 92 -13.139 -1.594 -7.797 1.00 0.00 O ATOM 229 NE2 GLN A 92 -14.553 -2.763 -6.510 1.00 0.00 N ATOM 0 H GLN A 92 -10.142 1.284 -5.314 1.00 0.00 H new ATOM 0 HA GLN A 92 -12.980 0.736 -5.047 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -11.488 -0.456 -6.655 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -10.557 -1.087 -5.311 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -11.922 -2.871 -5.411 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -13.104 -1.858 -4.606 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -14.757 -3.156 -5.591 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -15.213 -2.890 -7.277 1.00 0.00 H new ATOM 238 N SER A 93 -13.122 -0.382 -2.797 1.00 0.00 N ATOM 239 CA SER A 93 -13.248 -0.843 -1.424 1.00 0.00 C ATOM 240 C SER A 93 -12.655 -2.241 -1.255 1.00 0.00 C ATOM 241 O SER A 93 -12.334 -2.915 -2.236 1.00 0.00 O ATOM 242 CB SER A 93 -14.718 -0.827 -1.031 1.00 0.00 C ATOM 243 OG SER A 93 -15.369 0.272 -1.645 1.00 0.00 O ATOM 0 H SER A 93 -13.987 -0.427 -3.336 1.00 0.00 H new ATOM 0 HA SER A 93 -12.689 -0.175 -0.769 1.00 0.00 H new ATOM 0 HB2 SER A 93 -15.195 -1.759 -1.334 1.00 0.00 H new ATOM 0 HB3 SER A 93 -14.813 -0.758 0.053 1.00 0.00 H new ATOM 0 HG SER A 93 -15.745 -0.010 -2.505 1.00 0.00 H new ATOM 249 N ILE A 94 -12.509 -2.675 -0.014 1.00 0.00 N ATOM 250 CA ILE A 94 -11.888 -3.959 0.272 1.00 0.00 C ATOM 251 C ILE A 94 -12.907 -4.957 0.820 1.00 0.00 C ATOM 252 O ILE A 94 -13.348 -4.842 1.962 1.00 0.00 O ATOM 253 CB ILE A 94 -10.734 -3.811 1.288 1.00 0.00 C ATOM 254 CG1 ILE A 94 -9.844 -2.622 0.924 1.00 0.00 C ATOM 255 CG2 ILE A 94 -9.909 -5.090 1.343 1.00 0.00 C ATOM 256 CD1 ILE A 94 -9.476 -1.748 2.104 1.00 0.00 C ATOM 0 H ILE A 94 -12.812 -2.158 0.811 1.00 0.00 H new ATOM 0 HA ILE A 94 -11.489 -4.333 -0.671 1.00 0.00 H new ATOM 0 HB ILE A 94 -11.165 -3.630 2.273 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -8.930 -2.993 0.460 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -10.355 -2.013 0.178 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -9.100 -4.970 2.063 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -10.546 -5.921 1.647 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -9.490 -5.296 0.358 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -8.844 -0.927 1.766 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -10.383 -1.346 2.556 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -8.936 -2.341 2.842 1.00 0.00 H new ATOM 268 N PRO A 95 -13.333 -5.920 -0.008 1.00 0.00 N ATOM 269 CA PRO A 95 -14.189 -7.021 0.430 1.00 0.00 C ATOM 270 C PRO A 95 -13.388 -8.061 1.206 1.00 0.00 C ATOM 271 O PRO A 95 -12.158 -8.034 1.194 1.00 0.00 O ATOM 272 CB PRO A 95 -14.730 -7.618 -0.885 1.00 0.00 C ATOM 273 CG PRO A 95 -14.254 -6.708 -1.975 1.00 0.00 C ATOM 274 CD PRO A 95 -13.040 -6.006 -1.437 1.00 0.00 C ATOM 0 HA PRO A 95 -14.982 -6.691 1.101 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -14.361 -8.633 -1.034 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -15.818 -7.674 -0.870 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -14.010 -7.273 -2.875 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -15.028 -5.991 -2.249 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -12.127 -6.568 -1.631 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -12.909 -5.021 -1.885 1.00 0.00 H new ATOM 282 N ALA A 96 -14.080 -8.980 1.872 1.00 0.00 N ATOM 283 CA ALA A 96 -13.412 -10.010 2.671 1.00 0.00 C ATOM 284 C ALA A 96 -12.672 -11.007 1.780 1.00 0.00 C ATOM 285 O ALA A 96 -11.920 -11.852 2.262 1.00 0.00 O ATOM 286 CB ALA A 96 -14.418 -10.730 3.557 1.00 0.00 C ATOM 0 H ALA A 96 -15.098 -9.036 1.877 1.00 0.00 H new ATOM 0 HA ALA A 96 -12.675 -9.519 3.307 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -13.906 -11.492 4.144 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -14.891 -10.013 4.227 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -15.179 -11.202 2.935 1.00 0.00 H new ATOM 292 N SER A 97 -12.902 -10.898 0.479 1.00 0.00 N ATOM 293 CA SER A 97 -12.245 -11.751 -0.499 1.00 0.00 C ATOM 294 C SER A 97 -10.976 -11.088 -1.035 1.00 0.00 C ATOM 295 O SER A 97 -10.174 -11.727 -1.720 1.00 0.00 O ATOM 296 CB SER A 97 -13.218 -12.045 -1.641 1.00 0.00 C ATOM 297 OG SER A 97 -14.436 -11.343 -1.447 1.00 0.00 O ATOM 0 H SER A 97 -13.546 -10.219 0.074 1.00 0.00 H new ATOM 0 HA SER A 97 -11.954 -12.685 -0.019 1.00 0.00 H new ATOM 0 HB2 SER A 97 -12.771 -11.755 -2.592 1.00 0.00 H new ATOM 0 HB3 SER A 97 -13.413 -13.116 -1.694 1.00 0.00 H new ATOM 0 HG SER A 97 -15.048 -11.540 -2.187 1.00 0.00 H new ATOM 303 N GLU A 98 -10.800 -9.809 -0.719 1.00 0.00 N ATOM 304 CA GLU A 98 -9.639 -9.060 -1.180 1.00 0.00 C ATOM 305 C GLU A 98 -8.613 -8.928 -0.065 1.00 0.00 C ATOM 306 O GLU A 98 -8.925 -9.142 1.108 1.00 0.00 O ATOM 307 CB GLU A 98 -10.051 -7.670 -1.666 1.00 0.00 C ATOM 308 CG GLU A 98 -10.010 -7.507 -3.176 1.00 0.00 C ATOM 309 CD GLU A 98 -8.606 -7.627 -3.746 1.00 0.00 C ATOM 310 OE1 GLU A 98 -7.635 -7.320 -3.029 1.00 0.00 O ATOM 311 OE2 GLU A 98 -8.475 -8.027 -4.925 1.00 0.00 O ATOM 0 H GLU A 98 -11.448 -9.270 -0.145 1.00 0.00 H new ATOM 0 HA GLU A 98 -9.194 -9.607 -2.011 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -11.061 -7.458 -1.315 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -9.394 -6.928 -1.213 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -10.649 -8.261 -3.635 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -10.423 -6.534 -3.443 1.00 0.00 H new ATOM 318 N LEU A 99 -7.391 -8.584 -0.436 1.00 0.00 N ATOM 319 CA LEU A 99 -6.311 -8.459 0.526 1.00 0.00 C ATOM 320 C LEU A 99 -5.550 -7.159 0.308 1.00 0.00 C ATOM 321 O LEU A 99 -5.201 -6.810 -0.824 1.00 0.00 O ATOM 322 CB LEU A 99 -5.359 -9.652 0.426 1.00 0.00 C ATOM 323 CG LEU A 99 -6.012 -11.026 0.616 1.00 0.00 C ATOM 324 CD1 LEU A 99 -5.211 -12.098 -0.100 1.00 0.00 C ATOM 325 CD2 LEU A 99 -6.146 -11.354 2.096 1.00 0.00 C ATOM 0 H LEU A 99 -7.122 -8.386 -1.400 1.00 0.00 H new ATOM 0 HA LEU A 99 -6.745 -8.445 1.526 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -4.875 -9.629 -0.550 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -4.574 -9.534 1.173 1.00 0.00 H new ATOM 0 HG LEU A 99 -7.011 -10.996 0.181 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -5.689 -13.067 0.045 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -5.169 -11.870 -1.165 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -4.199 -12.128 0.305 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -6.612 -12.333 2.211 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -5.158 -11.365 2.557 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -6.764 -10.599 2.581 1.00 0.00 H new ATOM 337 N VAL A 100 -5.291 -6.449 1.394 1.00 0.00 N ATOM 338 CA VAL A 100 -4.567 -5.194 1.324 1.00 0.00 C ATOM 339 C VAL A 100 -3.269 -5.275 2.108 1.00 0.00 C ATOM 340 O VAL A 100 -3.169 -5.999 3.097 1.00 0.00 O ATOM 341 CB VAL A 100 -5.400 -4.010 1.858 1.00 0.00 C ATOM 342 CG1 VAL A 100 -6.367 -3.511 0.799 1.00 0.00 C ATOM 343 CG2 VAL A 100 -6.146 -4.394 3.128 1.00 0.00 C ATOM 0 H VAL A 100 -5.573 -6.723 2.335 1.00 0.00 H new ATOM 0 HA VAL A 100 -4.354 -5.019 0.270 1.00 0.00 H new ATOM 0 HB VAL A 100 -4.712 -3.201 2.103 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -6.944 -2.676 1.197 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -5.809 -3.181 -0.077 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -7.044 -4.317 0.515 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -6.725 -3.541 3.482 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -6.818 -5.226 2.918 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -5.430 -4.690 3.895 1.00 0.00 H new ATOM 353 N MET A 101 -2.279 -4.541 1.651 1.00 0.00 N ATOM 354 CA MET A 101 -1.012 -4.448 2.343 1.00 0.00 C ATOM 355 C MET A 101 -1.019 -3.210 3.221 1.00 0.00 C ATOM 356 O MET A 101 -1.240 -2.096 2.743 1.00 0.00 O ATOM 357 CB MET A 101 0.139 -4.401 1.341 1.00 0.00 C ATOM 358 CG MET A 101 0.808 -5.748 1.129 1.00 0.00 C ATOM 359 SD MET A 101 0.157 -6.632 -0.303 1.00 0.00 S ATOM 360 CE MET A 101 1.616 -6.728 -1.335 1.00 0.00 C ATOM 0 H MET A 101 -2.329 -3.993 0.792 1.00 0.00 H new ATOM 0 HA MET A 101 -0.870 -5.329 2.969 1.00 0.00 H new ATOM 0 HB2 MET A 101 -0.236 -4.035 0.385 1.00 0.00 H new ATOM 0 HB3 MET A 101 0.884 -3.684 1.687 1.00 0.00 H new ATOM 0 HG2 MET A 101 1.881 -5.600 1.003 1.00 0.00 H new ATOM 0 HG3 MET A 101 0.673 -6.360 2.021 1.00 0.00 H new ATOM 0 HE1 MET A 101 1.580 -7.639 -1.933 1.00 0.00 H new ATOM 0 HE2 MET A 101 1.652 -5.862 -1.995 1.00 0.00 H new ATOM 0 HE3 MET A 101 2.506 -6.742 -0.706 1.00 0.00 H new ATOM 370 N ARG A 102 -0.814 -3.418 4.509 1.00 0.00 N ATOM 371 CA ARG A 102 -0.894 -2.337 5.481 1.00 0.00 C ATOM 372 C ARG A 102 0.450 -1.637 5.649 1.00 0.00 C ATOM 373 O ARG A 102 1.473 -2.287 5.865 1.00 0.00 O ATOM 374 CB ARG A 102 -1.365 -2.885 6.828 1.00 0.00 C ATOM 375 CG ARG A 102 -1.905 -1.817 7.764 1.00 0.00 C ATOM 376 CD ARG A 102 -1.957 -2.306 9.204 1.00 0.00 C ATOM 377 NE ARG A 102 -2.575 -1.319 10.094 1.00 0.00 N ATOM 378 CZ ARG A 102 -3.708 -1.525 10.772 1.00 0.00 C ATOM 379 NH1 ARG A 102 -4.307 -2.713 10.731 1.00 0.00 N ATOM 380 NH2 ARG A 102 -4.234 -0.552 11.507 1.00 0.00 N ATOM 0 H ARG A 102 -0.590 -4.329 4.910 1.00 0.00 H new ATOM 0 HA ARG A 102 -1.611 -1.604 5.111 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -2.141 -3.631 6.656 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -0.533 -3.395 7.314 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -1.277 -0.928 7.704 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -2.904 -1.523 7.443 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -2.519 -3.239 9.251 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -0.947 -2.525 9.550 1.00 0.00 H new ATOM 0 HE ARG A 102 -2.111 -0.417 10.203 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -3.901 -3.470 10.181 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -5.172 -2.866 11.250 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -3.773 0.357 11.555 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -5.099 -0.713 12.023 1.00 0.00 H new ATOM 394 N ALA A 103 0.437 -0.316 5.547 1.00 0.00 N ATOM 395 CA ALA A 103 1.625 0.484 5.796 1.00 0.00 C ATOM 396 C ALA A 103 1.428 1.314 7.061 1.00 0.00 C ATOM 397 O ALA A 103 0.728 0.885 7.983 1.00 0.00 O ATOM 398 CB ALA A 103 1.932 1.371 4.595 1.00 0.00 C ATOM 0 H ALA A 103 -0.389 0.226 5.292 1.00 0.00 H new ATOM 0 HA ALA A 103 2.479 -0.176 5.945 1.00 0.00 H new ATOM 0 HB1 ALA A 103 2.824 1.963 4.799 1.00 0.00 H new ATOM 0 HB2 ALA A 103 2.102 0.748 3.717 1.00 0.00 H new ATOM 0 HB3 ALA A 103 1.089 2.037 4.410 1.00 0.00 H new ATOM 404 N GLN A 104 2.023 2.498 7.103 1.00 0.00 N ATOM 405 CA GLN A 104 1.885 3.386 8.250 1.00 0.00 C ATOM 406 C GLN A 104 0.515 4.055 8.253 1.00 0.00 C ATOM 407 O GLN A 104 0.376 5.215 7.863 1.00 0.00 O ATOM 408 CB GLN A 104 2.983 4.446 8.236 1.00 0.00 C ATOM 409 CG GLN A 104 3.944 4.343 9.406 1.00 0.00 C ATOM 410 CD GLN A 104 5.055 3.344 9.161 1.00 0.00 C ATOM 411 OE1 GLN A 104 5.211 2.823 8.057 1.00 0.00 O ATOM 412 NE2 GLN A 104 5.838 3.070 10.193 1.00 0.00 N ATOM 0 H GLN A 104 2.608 2.867 6.353 1.00 0.00 H new ATOM 0 HA GLN A 104 1.981 2.788 9.156 1.00 0.00 H new ATOM 0 HB2 GLN A 104 3.546 4.362 7.306 1.00 0.00 H new ATOM 0 HB3 GLN A 104 2.522 5.434 8.241 1.00 0.00 H new ATOM 0 HG2 GLN A 104 4.379 5.323 9.602 1.00 0.00 H new ATOM 0 HG3 GLN A 104 3.392 4.055 10.301 1.00 0.00 H new ATOM 0 HE21 GLN A 104 5.675 3.524 11.092 1.00 0.00 H new ATOM 0 HE22 GLN A 104 6.604 2.405 10.089 1.00 0.00 H new ATOM 421 N GLY A 105 -0.492 3.306 8.672 1.00 0.00 N ATOM 422 CA GLY A 105 -1.832 3.846 8.784 1.00 0.00 C ATOM 423 C GLY A 105 -2.654 3.627 7.532 1.00 0.00 C ATOM 424 O GLY A 105 -3.827 3.268 7.607 1.00 0.00 O ATOM 0 H GLY A 105 -0.405 2.325 8.939 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -2.337 3.382 9.631 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -1.773 4.914 8.993 1.00 0.00 H new ATOM 428 N ASN A 106 -2.038 3.834 6.383 1.00 0.00 N ATOM 429 CA ASN A 106 -2.729 3.695 5.112 1.00 0.00 C ATOM 430 C ASN A 106 -2.624 2.268 4.593 1.00 0.00 C ATOM 431 O ASN A 106 -1.704 1.530 4.954 1.00 0.00 O ATOM 432 CB ASN A 106 -2.149 4.665 4.084 1.00 0.00 C ATOM 433 CG ASN A 106 -2.800 6.032 4.133 1.00 0.00 C ATOM 434 OD1 ASN A 106 -2.607 6.789 5.083 1.00 0.00 O ATOM 435 ND2 ASN A 106 -3.577 6.358 3.114 1.00 0.00 N ATOM 0 H ASN A 106 -1.057 4.100 6.303 1.00 0.00 H new ATOM 0 HA ASN A 106 -3.781 3.931 5.271 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -1.078 4.772 4.256 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -2.271 4.245 3.086 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -4.042 7.266 3.097 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -3.712 5.702 2.345 1.00 0.00 H new ATOM 442 N VAL A 107 -3.572 1.886 3.748 1.00 0.00 N ATOM 443 CA VAL A 107 -3.594 0.554 3.168 1.00 0.00 C ATOM 444 C VAL A 107 -3.711 0.632 1.651 1.00 0.00 C ATOM 445 O VAL A 107 -4.303 1.571 1.111 1.00 0.00 O ATOM 446 CB VAL A 107 -4.761 -0.295 3.719 1.00 0.00 C ATOM 447 CG1 VAL A 107 -4.368 -0.983 5.013 1.00 0.00 C ATOM 448 CG2 VAL A 107 -6.003 0.559 3.923 1.00 0.00 C ATOM 0 H VAL A 107 -4.340 2.486 3.448 1.00 0.00 H new ATOM 0 HA VAL A 107 -2.655 0.073 3.444 1.00 0.00 H new ATOM 0 HB VAL A 107 -4.992 -1.064 2.982 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -5.207 -1.574 5.380 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -3.515 -1.637 4.833 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -4.100 -0.233 5.757 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -6.811 -0.061 4.311 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -5.784 1.356 4.633 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -6.306 0.995 2.971 1.00 0.00 H new ATOM 458 N TYR A 108 -3.128 -0.347 0.976 1.00 0.00 N ATOM 459 CA TYR A 108 -3.186 -0.436 -0.480 1.00 0.00 C ATOM 460 C TYR A 108 -3.461 -1.881 -0.887 1.00 0.00 C ATOM 461 O TYR A 108 -3.063 -2.806 -0.184 1.00 0.00 O ATOM 462 CB TYR A 108 -1.868 0.036 -1.111 1.00 0.00 C ATOM 463 CG TYR A 108 -1.258 1.268 -0.461 1.00 0.00 C ATOM 464 CD1 TYR A 108 -0.377 1.154 0.612 1.00 0.00 C ATOM 465 CD2 TYR A 108 -1.558 2.545 -0.925 1.00 0.00 C ATOM 466 CE1 TYR A 108 0.187 2.276 1.198 1.00 0.00 C ATOM 467 CE2 TYR A 108 -0.999 3.669 -0.342 1.00 0.00 C ATOM 468 CZ TYR A 108 -0.127 3.528 0.719 1.00 0.00 C ATOM 469 OH TYR A 108 0.437 4.645 1.302 1.00 0.00 O ATOM 0 H TYR A 108 -2.602 -1.101 1.418 1.00 0.00 H new ATOM 0 HA TYR A 108 -3.988 0.210 -0.837 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -1.146 -0.779 -1.063 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -2.041 0.247 -2.166 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -0.129 0.175 0.994 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -2.239 2.661 -1.755 1.00 0.00 H new ATOM 0 HE1 TYR A 108 0.870 2.169 2.027 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -1.244 4.652 -0.716 1.00 0.00 H new ATOM 0 HH TYR A 108 0.114 5.450 0.847 1.00 0.00 H new ATOM 479 N HIS A 109 -4.130 -2.082 -2.015 1.00 0.00 N ATOM 480 CA HIS A 109 -4.478 -3.434 -2.461 1.00 0.00 C ATOM 481 C HIS A 109 -3.236 -4.185 -2.935 1.00 0.00 C ATOM 482 O HIS A 109 -2.163 -3.604 -3.076 1.00 0.00 O ATOM 483 CB HIS A 109 -5.493 -3.393 -3.608 1.00 0.00 C ATOM 484 CG HIS A 109 -6.903 -3.078 -3.206 1.00 0.00 C ATOM 485 ND1 HIS A 109 -7.477 -1.864 -3.494 1.00 0.00 N ATOM 486 CD2 HIS A 109 -7.824 -3.857 -2.582 1.00 0.00 C ATOM 487 CE1 HIS A 109 -8.721 -1.923 -3.058 1.00 0.00 C ATOM 488 NE2 HIS A 109 -8.981 -3.117 -2.497 1.00 0.00 N ATOM 0 H HIS A 109 -4.442 -1.336 -2.637 1.00 0.00 H new ATOM 0 HA HIS A 109 -4.917 -3.951 -1.608 1.00 0.00 H new ATOM 0 HB2 HIS A 109 -5.165 -2.650 -4.335 1.00 0.00 H new ATOM 0 HB3 HIS A 109 -5.484 -4.359 -4.114 1.00 0.00 H new ATOM 0 HD2 HIS A 109 -7.677 -4.864 -2.222 1.00 0.00 H new ATOM 0 HE1 HIS A 109 -9.436 -1.118 -3.141 1.00 0.00 H new ATOM 0 HE2 HIS A 109 -9.866 -3.417 -2.087 1.00 0.00 H new ATOM 496 N LEU A 110 -3.397 -5.477 -3.195 1.00 0.00 N ATOM 497 CA LEU A 110 -2.318 -6.300 -3.738 1.00 0.00 C ATOM 498 C LEU A 110 -1.865 -5.785 -5.107 1.00 0.00 C ATOM 499 O LEU A 110 -0.733 -6.019 -5.532 1.00 0.00 O ATOM 500 CB LEU A 110 -2.782 -7.753 -3.861 1.00 0.00 C ATOM 501 CG LEU A 110 -2.187 -8.714 -2.833 1.00 0.00 C ATOM 502 CD1 LEU A 110 -3.162 -9.837 -2.523 1.00 0.00 C ATOM 503 CD2 LEU A 110 -0.874 -9.281 -3.342 1.00 0.00 C ATOM 0 H LEU A 110 -4.269 -5.982 -3.038 1.00 0.00 H new ATOM 0 HA LEU A 110 -1.472 -6.243 -3.054 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -3.868 -7.780 -3.774 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -2.533 -8.114 -4.859 1.00 0.00 H new ATOM 0 HG LEU A 110 -1.997 -8.161 -1.913 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -2.720 -10.511 -1.789 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -4.084 -9.418 -2.121 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -3.383 -10.390 -3.436 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -0.461 -9.964 -2.600 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -1.047 -9.819 -4.274 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -0.170 -8.467 -3.518 1.00 0.00 H new ATOM 515 N LYS A 111 -2.768 -5.115 -5.807 1.00 0.00 N ATOM 516 CA LYS A 111 -2.451 -4.525 -7.100 1.00 0.00 C ATOM 517 C LYS A 111 -1.958 -3.091 -6.937 1.00 0.00 C ATOM 518 O LYS A 111 -1.269 -2.556 -7.804 1.00 0.00 O ATOM 519 CB LYS A 111 -3.681 -4.563 -8.015 1.00 0.00 C ATOM 520 CG LYS A 111 -5.002 -4.356 -7.283 1.00 0.00 C ATOM 521 CD LYS A 111 -5.990 -5.478 -7.574 1.00 0.00 C ATOM 522 CE LYS A 111 -5.920 -6.579 -6.527 1.00 0.00 C ATOM 523 NZ LYS A 111 -6.774 -7.743 -6.885 1.00 0.00 N ATOM 0 H LYS A 111 -3.729 -4.966 -5.501 1.00 0.00 H new ATOM 0 HA LYS A 111 -1.653 -5.110 -7.556 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -3.576 -3.794 -8.780 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -3.709 -5.523 -8.530 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -4.819 -4.302 -6.210 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -5.437 -3.402 -7.580 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -7.001 -5.072 -7.607 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -5.783 -5.899 -8.558 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -4.887 -6.908 -6.415 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -6.234 -6.182 -5.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -7.153 -8.175 -6.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -7.561 -7.424 -7.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -6.206 -8.444 -7.402 1.00 0.00 H new ATOM 537 N CYS A 112 -2.287 -2.491 -5.805 1.00 0.00 N ATOM 538 CA CYS A 112 -2.072 -1.072 -5.597 1.00 0.00 C ATOM 539 C CYS A 112 -0.814 -0.793 -4.770 1.00 0.00 C ATOM 540 O CYS A 112 -0.297 0.326 -4.786 1.00 0.00 O ATOM 541 CB CYS A 112 -3.311 -0.489 -4.928 1.00 0.00 C ATOM 542 SG CYS A 112 -4.867 -1.099 -5.665 1.00 0.00 S ATOM 0 H CYS A 112 -2.708 -2.972 -5.010 1.00 0.00 H new ATOM 0 HA CYS A 112 -1.911 -0.594 -6.563 1.00 0.00 H new ATOM 0 HB2 CYS A 112 -3.296 -0.737 -3.867 1.00 0.00 H new ATOM 0 HB3 CYS A 112 -3.281 0.598 -5.002 1.00 0.00 H new ATOM 0 HG CYS A 112 -5.807 -0.219 -5.485 1.00 0.00 H new ATOM 547 N PHE A 113 -0.331 -1.803 -4.055 1.00 0.00 N ATOM 548 CA PHE A 113 0.907 -1.678 -3.286 1.00 0.00 C ATOM 549 C PHE A 113 2.099 -1.528 -4.227 1.00 0.00 C ATOM 550 O PHE A 113 2.784 -2.502 -4.547 1.00 0.00 O ATOM 551 CB PHE A 113 1.111 -2.891 -2.371 1.00 0.00 C ATOM 552 CG PHE A 113 1.933 -2.594 -1.142 1.00 0.00 C ATOM 553 CD1 PHE A 113 1.748 -1.415 -0.438 1.00 0.00 C ATOM 554 CD2 PHE A 113 2.884 -3.497 -0.689 1.00 0.00 C ATOM 555 CE1 PHE A 113 2.495 -1.138 0.691 1.00 0.00 C ATOM 556 CE2 PHE A 113 3.634 -3.225 0.440 1.00 0.00 C ATOM 557 CZ PHE A 113 3.439 -2.043 1.131 1.00 0.00 C ATOM 0 H PHE A 113 -0.776 -2.718 -3.990 1.00 0.00 H new ATOM 0 HA PHE A 113 0.829 -0.788 -2.662 1.00 0.00 H new ATOM 0 HB2 PHE A 113 0.137 -3.270 -2.062 1.00 0.00 H new ATOM 0 HB3 PHE A 113 1.596 -3.685 -2.938 1.00 0.00 H new ATOM 0 HD1 PHE A 113 1.010 -0.703 -0.776 1.00 0.00 H new ATOM 0 HD2 PHE A 113 3.040 -4.422 -1.224 1.00 0.00 H new ATOM 0 HE1 PHE A 113 2.340 -0.214 1.228 1.00 0.00 H new ATOM 0 HE2 PHE A 113 4.372 -3.935 0.782 1.00 0.00 H new ATOM 0 HZ PHE A 113 4.024 -1.829 2.013 1.00 0.00 H new ATOM 567 N THR A 114 2.339 -0.304 -4.669 1.00 0.00 N ATOM 568 CA THR A 114 3.367 -0.041 -5.656 1.00 0.00 C ATOM 569 C THR A 114 4.201 1.183 -5.284 1.00 0.00 C ATOM 570 O THR A 114 3.782 2.013 -4.476 1.00 0.00 O ATOM 571 CB THR A 114 2.736 0.175 -7.046 1.00 0.00 C ATOM 572 OG1 THR A 114 1.519 0.929 -6.923 1.00 0.00 O ATOM 573 CG2 THR A 114 2.439 -1.151 -7.725 1.00 0.00 C ATOM 0 H THR A 114 1.832 0.524 -4.357 1.00 0.00 H new ATOM 0 HA THR A 114 4.023 -0.911 -5.682 1.00 0.00 H new ATOM 0 HB THR A 114 3.451 0.727 -7.656 1.00 0.00 H new ATOM 0 HG1 THR A 114 0.765 0.315 -6.802 1.00 0.00 H new ATOM 0 HG21 THR A 114 1.995 -0.967 -8.703 1.00 0.00 H new ATOM 0 HG22 THR A 114 3.365 -1.713 -7.847 1.00 0.00 H new ATOM 0 HG23 THR A 114 1.744 -1.726 -7.113 1.00 0.00 H new ATOM 581 N CYS A 115 5.382 1.268 -5.882 1.00 0.00 N ATOM 582 CA CYS A 115 6.291 2.389 -5.694 1.00 0.00 C ATOM 583 C CYS A 115 5.664 3.703 -6.147 1.00 0.00 C ATOM 584 O CYS A 115 4.774 3.721 -6.999 1.00 0.00 O ATOM 585 CB CYS A 115 7.570 2.124 -6.481 1.00 0.00 C ATOM 586 SG CYS A 115 8.781 3.489 -6.500 1.00 0.00 S ATOM 0 H CYS A 115 5.738 0.554 -6.517 1.00 0.00 H new ATOM 0 HA CYS A 115 6.513 2.482 -4.631 1.00 0.00 H new ATOM 0 HB2 CYS A 115 8.053 1.239 -6.067 1.00 0.00 H new ATOM 0 HB3 CYS A 115 7.300 1.888 -7.510 1.00 0.00 H new ATOM 0 HG CYS A 115 8.624 4.224 -5.439 1.00 0.00 H new ATOM 591 N SER A 116 6.128 4.795 -5.570 1.00 0.00 N ATOM 592 CA SER A 116 5.649 6.113 -5.936 1.00 0.00 C ATOM 593 C SER A 116 6.568 6.765 -6.973 1.00 0.00 C ATOM 594 O SER A 116 6.221 7.789 -7.552 1.00 0.00 O ATOM 595 CB SER A 116 5.535 6.990 -4.688 1.00 0.00 C ATOM 596 OG SER A 116 5.125 6.216 -3.572 1.00 0.00 O ATOM 0 H SER A 116 6.841 4.794 -4.841 1.00 0.00 H new ATOM 0 HA SER A 116 4.662 6.010 -6.387 1.00 0.00 H new ATOM 0 HB2 SER A 116 6.495 7.461 -4.478 1.00 0.00 H new ATOM 0 HB3 SER A 116 4.819 7.792 -4.864 1.00 0.00 H new ATOM 0 HG SER A 116 4.682 6.795 -2.917 1.00 0.00 H new ATOM 602 N THR A 117 7.732 6.170 -7.220 1.00 0.00 N ATOM 603 CA THR A 117 8.671 6.734 -8.186 1.00 0.00 C ATOM 604 C THR A 117 8.736 5.902 -9.468 1.00 0.00 C ATOM 605 O THR A 117 8.553 6.429 -10.571 1.00 0.00 O ATOM 606 CB THR A 117 10.085 6.848 -7.589 1.00 0.00 C ATOM 607 OG1 THR A 117 10.007 7.063 -6.171 1.00 0.00 O ATOM 608 CG2 THR A 117 10.852 7.990 -8.241 1.00 0.00 C ATOM 0 H THR A 117 8.045 5.309 -6.772 1.00 0.00 H new ATOM 0 HA THR A 117 8.301 7.729 -8.432 1.00 0.00 H new ATOM 0 HB THR A 117 10.615 5.915 -7.782 1.00 0.00 H new ATOM 0 HG1 THR A 117 10.900 6.974 -5.777 1.00 0.00 H new ATOM 0 HG21 THR A 117 11.849 8.054 -7.805 1.00 0.00 H new ATOM 0 HG22 THR A 117 10.935 7.807 -9.312 1.00 0.00 H new ATOM 0 HG23 THR A 117 10.322 8.927 -8.073 1.00 0.00 H new ATOM 616 N CYS A 118 8.966 4.602 -9.324 1.00 0.00 N ATOM 617 CA CYS A 118 9.029 3.713 -10.478 1.00 0.00 C ATOM 618 C CYS A 118 7.703 2.990 -10.649 1.00 0.00 C ATOM 619 O CYS A 118 7.383 2.494 -11.731 1.00 0.00 O ATOM 620 CB CYS A 118 10.166 2.696 -10.325 1.00 0.00 C ATOM 621 SG CYS A 118 11.453 3.161 -9.118 1.00 0.00 S ATOM 0 H CYS A 118 9.111 4.142 -8.425 1.00 0.00 H new ATOM 0 HA CYS A 118 9.227 4.316 -11.364 1.00 0.00 H new ATOM 0 HB2 CYS A 118 9.740 1.738 -10.029 1.00 0.00 H new ATOM 0 HB3 CYS A 118 10.636 2.549 -11.297 1.00 0.00 H new ATOM 0 HG CYS A 118 10.903 3.387 -7.962 1.00 0.00 H new ATOM 626 N ARG A 119 6.938 2.956 -9.560 1.00 0.00 N ATOM 627 CA ARG A 119 5.650 2.279 -9.516 1.00 0.00 C ATOM 628 C ARG A 119 5.820 0.773 -9.700 1.00 0.00 C ATOM 629 O ARG A 119 5.005 0.117 -10.353 1.00 0.00 O ATOM 630 CB ARG A 119 4.687 2.856 -10.561 1.00 0.00 C ATOM 631 CG ARG A 119 3.599 3.727 -9.961 1.00 0.00 C ATOM 632 CD ARG A 119 2.432 2.893 -9.458 1.00 0.00 C ATOM 633 NE ARG A 119 1.310 2.913 -10.394 1.00 0.00 N ATOM 634 CZ ARG A 119 0.147 2.296 -10.186 1.00 0.00 C ATOM 635 NH1 ARG A 119 -0.065 1.620 -9.060 1.00 0.00 N ATOM 636 NH2 ARG A 119 -0.807 2.356 -11.107 1.00 0.00 N ATOM 0 H ARG A 119 7.198 3.401 -8.680 1.00 0.00 H new ATOM 0 HA ARG A 119 5.214 2.451 -8.532 1.00 0.00 H new ATOM 0 HB2 ARG A 119 5.255 3.443 -11.283 1.00 0.00 H new ATOM 0 HB3 ARG A 119 4.224 2.036 -11.110 1.00 0.00 H new ATOM 0 HG2 ARG A 119 4.011 4.311 -9.138 1.00 0.00 H new ATOM 0 HG3 ARG A 119 3.245 4.436 -10.709 1.00 0.00 H new ATOM 0 HD2 ARG A 119 2.759 1.865 -9.304 1.00 0.00 H new ATOM 0 HD3 ARG A 119 2.105 3.272 -8.490 1.00 0.00 H new ATOM 0 HE ARG A 119 1.424 3.433 -11.264 1.00 0.00 H new ATOM 0 HH11 ARG A 119 0.665 1.571 -8.349 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -0.957 1.150 -8.908 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -0.649 2.873 -11.972 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -1.698 1.885 -10.950 1.00 0.00 H new ATOM 650 N ASN A 120 6.890 0.230 -9.124 1.00 0.00 N ATOM 651 CA ASN A 120 7.103 -1.209 -9.122 1.00 0.00 C ATOM 652 C ASN A 120 6.177 -1.855 -8.107 1.00 0.00 C ATOM 653 O ASN A 120 5.939 -1.300 -7.033 1.00 0.00 O ATOM 654 CB ASN A 120 8.554 -1.553 -8.770 1.00 0.00 C ATOM 655 CG ASN A 120 9.521 -1.319 -9.913 1.00 0.00 C ATOM 656 OD1 ASN A 120 9.268 -1.704 -11.056 1.00 0.00 O ATOM 657 ND2 ASN A 120 10.649 -0.699 -9.604 1.00 0.00 N ATOM 0 H ASN A 120 7.620 0.766 -8.654 1.00 0.00 H new ATOM 0 HA ASN A 120 6.890 -1.587 -10.122 1.00 0.00 H new ATOM 0 HB2 ASN A 120 8.864 -0.955 -7.913 1.00 0.00 H new ATOM 0 HB3 ASN A 120 8.608 -2.598 -8.466 1.00 0.00 H new ATOM 0 HD21 ASN A 120 11.349 -0.524 -10.325 1.00 0.00 H new ATOM 0 HD22 ASN A 120 10.819 -0.397 -8.645 1.00 0.00 H new ATOM 664 N ARG A 121 5.634 -3.008 -8.449 1.00 0.00 N ATOM 665 CA ARG A 121 4.793 -3.746 -7.520 1.00 0.00 C ATOM 666 C ARG A 121 5.656 -4.466 -6.490 1.00 0.00 C ATOM 667 O ARG A 121 6.400 -5.387 -6.833 1.00 0.00 O ATOM 668 CB ARG A 121 3.917 -4.755 -8.262 1.00 0.00 C ATOM 669 CG ARG A 121 2.521 -4.875 -7.681 1.00 0.00 C ATOM 670 CD ARG A 121 1.510 -5.278 -8.737 1.00 0.00 C ATOM 671 NE ARG A 121 0.470 -6.147 -8.191 1.00 0.00 N ATOM 672 CZ ARG A 121 -0.205 -7.045 -8.913 1.00 0.00 C ATOM 673 NH1 ARG A 121 0.071 -7.212 -10.202 1.00 0.00 N ATOM 674 NH2 ARG A 121 -1.150 -7.779 -8.340 1.00 0.00 N ATOM 0 H ARG A 121 5.758 -3.454 -9.358 1.00 0.00 H new ATOM 0 HA ARG A 121 4.143 -3.035 -7.010 1.00 0.00 H new ATOM 0 HB2 ARG A 121 3.844 -4.462 -9.309 1.00 0.00 H new ATOM 0 HB3 ARG A 121 4.399 -5.732 -8.237 1.00 0.00 H new ATOM 0 HG2 ARG A 121 2.523 -5.612 -6.878 1.00 0.00 H new ATOM 0 HG3 ARG A 121 2.227 -3.923 -7.239 1.00 0.00 H new ATOM 0 HD2 ARG A 121 1.051 -4.384 -9.160 1.00 0.00 H new ATOM 0 HD3 ARG A 121 2.021 -5.791 -9.552 1.00 0.00 H new ATOM 0 HE ARG A 121 0.246 -6.063 -7.199 1.00 0.00 H new ATOM 0 HH11 ARG A 121 0.801 -6.653 -10.644 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -0.447 -7.899 -10.750 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -1.360 -7.657 -7.349 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -1.666 -8.465 -8.890 1.00 0.00 H new ATOM 688 N LEU A 122 5.568 -4.030 -5.240 1.00 0.00 N ATOM 689 CA LEU A 122 6.330 -4.642 -4.162 1.00 0.00 C ATOM 690 C LEU A 122 5.775 -6.029 -3.856 1.00 0.00 C ATOM 691 O LEU A 122 4.591 -6.293 -4.067 1.00 0.00 O ATOM 692 CB LEU A 122 6.296 -3.750 -2.921 1.00 0.00 C ATOM 693 CG LEU A 122 6.577 -2.268 -3.192 1.00 0.00 C ATOM 694 CD1 LEU A 122 6.056 -1.415 -2.050 1.00 0.00 C ATOM 695 CD2 LEU A 122 8.068 -2.032 -3.405 1.00 0.00 C ATOM 0 H LEU A 122 4.975 -3.253 -4.948 1.00 0.00 H new ATOM 0 HA LEU A 122 7.369 -4.750 -4.472 1.00 0.00 H new ATOM 0 HB2 LEU A 122 5.316 -3.840 -2.451 1.00 0.00 H new ATOM 0 HB3 LEU A 122 7.029 -4.120 -2.204 1.00 0.00 H new ATOM 0 HG LEU A 122 6.055 -1.979 -4.104 1.00 0.00 H new ATOM 0 HD11 LEU A 122 6.263 -0.365 -2.257 1.00 0.00 H new ATOM 0 HD12 LEU A 122 4.980 -1.560 -1.949 1.00 0.00 H new ATOM 0 HD13 LEU A 122 6.550 -1.707 -1.123 1.00 0.00 H new ATOM 0 HD21 LEU A 122 8.245 -0.974 -3.596 1.00 0.00 H new ATOM 0 HD22 LEU A 122 8.616 -2.337 -2.513 1.00 0.00 H new ATOM 0 HD23 LEU A 122 8.411 -2.617 -4.259 1.00 0.00 H new ATOM 707 N VAL A 123 6.624 -6.913 -3.352 1.00 0.00 N ATOM 708 CA VAL A 123 6.263 -8.319 -3.255 1.00 0.00 C ATOM 709 C VAL A 123 6.278 -8.786 -1.807 1.00 0.00 C ATOM 710 O VAL A 123 7.194 -8.463 -1.048 1.00 0.00 O ATOM 711 CB VAL A 123 7.219 -9.191 -4.112 1.00 0.00 C ATOM 712 CG1 VAL A 123 7.204 -10.650 -3.674 1.00 0.00 C ATOM 713 CG2 VAL A 123 6.859 -9.077 -5.586 1.00 0.00 C ATOM 0 H VAL A 123 7.557 -6.685 -3.008 1.00 0.00 H new ATOM 0 HA VAL A 123 5.250 -8.432 -3.641 1.00 0.00 H new ATOM 0 HB VAL A 123 8.231 -8.815 -3.961 1.00 0.00 H new ATOM 0 HG11 VAL A 123 7.887 -11.225 -4.300 1.00 0.00 H new ATOM 0 HG12 VAL A 123 7.519 -10.721 -2.633 1.00 0.00 H new ATOM 0 HG13 VAL A 123 6.195 -11.050 -3.775 1.00 0.00 H new ATOM 0 HG21 VAL A 123 7.538 -9.694 -6.175 1.00 0.00 H new ATOM 0 HG22 VAL A 123 5.835 -9.418 -5.738 1.00 0.00 H new ATOM 0 HG23 VAL A 123 6.946 -8.038 -5.902 1.00 0.00 H new ATOM 723 N PRO A 124 5.241 -9.535 -1.400 1.00 0.00 N ATOM 724 CA PRO A 124 5.187 -10.150 -0.078 1.00 0.00 C ATOM 725 C PRO A 124 6.392 -11.052 0.160 1.00 0.00 C ATOM 726 O PRO A 124 6.540 -12.091 -0.486 1.00 0.00 O ATOM 727 CB PRO A 124 3.899 -10.978 -0.109 1.00 0.00 C ATOM 728 CG PRO A 124 3.068 -10.363 -1.179 1.00 0.00 C ATOM 729 CD PRO A 124 4.038 -9.831 -2.200 1.00 0.00 C ATOM 0 HA PRO A 124 5.201 -9.411 0.723 1.00 0.00 H new ATOM 0 HB2 PRO A 124 4.109 -12.025 -0.326 1.00 0.00 H new ATOM 0 HB3 PRO A 124 3.388 -10.948 0.853 1.00 0.00 H new ATOM 0 HG2 PRO A 124 2.397 -11.098 -1.624 1.00 0.00 H new ATOM 0 HG3 PRO A 124 2.445 -9.563 -0.779 1.00 0.00 H new ATOM 0 HD2 PRO A 124 4.244 -10.564 -2.980 1.00 0.00 H new ATOM 0 HD3 PRO A 124 3.653 -8.939 -2.694 1.00 0.00 H new ATOM 737 N GLY A 125 7.258 -10.638 1.070 1.00 0.00 N ATOM 738 CA GLY A 125 8.448 -11.405 1.354 1.00 0.00 C ATOM 739 C GLY A 125 9.670 -10.867 0.637 1.00 0.00 C ATOM 740 O GLY A 125 10.741 -11.477 0.679 1.00 0.00 O ATOM 0 H GLY A 125 7.157 -9.783 1.617 1.00 0.00 H new ATOM 0 HA2 GLY A 125 8.631 -11.402 2.429 1.00 0.00 H new ATOM 0 HA3 GLY A 125 8.286 -12.442 1.061 1.00 0.00 H new ATOM 744 N ASP A 126 9.514 -9.729 -0.033 1.00 0.00 N ATOM 745 CA ASP A 126 10.634 -9.085 -0.711 1.00 0.00 C ATOM 746 C ASP A 126 10.782 -7.637 -0.267 1.00 0.00 C ATOM 747 O ASP A 126 10.077 -7.179 0.633 1.00 0.00 O ATOM 748 CB ASP A 126 10.484 -9.159 -2.229 1.00 0.00 C ATOM 749 CG ASP A 126 11.810 -9.424 -2.906 1.00 0.00 C ATOM 750 OD1 ASP A 126 12.630 -8.487 -2.996 1.00 0.00 O ATOM 751 OD2 ASP A 126 12.046 -10.575 -3.324 1.00 0.00 O ATOM 0 H ASP A 126 8.626 -9.235 -0.121 1.00 0.00 H new ATOM 0 HA ASP A 126 11.537 -9.628 -0.432 1.00 0.00 H new ATOM 0 HB2 ASP A 126 9.778 -9.948 -2.488 1.00 0.00 H new ATOM 0 HB3 ASP A 126 10.066 -8.223 -2.600 1.00 0.00 H new ATOM 756 N ARG A 127 11.692 -6.924 -0.914 1.00 0.00 N ATOM 757 CA ARG A 127 12.080 -5.589 -0.480 1.00 0.00 C ATOM 758 C ARG A 127 11.009 -4.547 -0.786 1.00 0.00 C ATOM 759 O ARG A 127 10.420 -4.531 -1.868 1.00 0.00 O ATOM 760 CB ARG A 127 13.398 -5.177 -1.138 1.00 0.00 C ATOM 761 CG ARG A 127 14.477 -6.247 -1.081 1.00 0.00 C ATOM 762 CD ARG A 127 15.018 -6.418 0.325 1.00 0.00 C ATOM 763 NE ARG A 127 16.467 -6.594 0.335 1.00 0.00 N ATOM 764 CZ ARG A 127 17.080 -7.731 0.661 1.00 0.00 C ATOM 765 NH1 ARG A 127 16.373 -8.830 0.901 1.00 0.00 N ATOM 766 NH2 ARG A 127 18.402 -7.779 0.711 1.00 0.00 N ATOM 0 H ARG A 127 12.179 -7.251 -1.748 1.00 0.00 H new ATOM 0 HA ARG A 127 12.205 -5.631 0.602 1.00 0.00 H new ATOM 0 HB2 ARG A 127 13.208 -4.922 -2.181 1.00 0.00 H new ATOM 0 HB3 ARG A 127 13.769 -4.275 -0.652 1.00 0.00 H new ATOM 0 HG2 ARG A 127 14.070 -7.195 -1.433 1.00 0.00 H new ATOM 0 HG3 ARG A 127 15.291 -5.980 -1.755 1.00 0.00 H new ATOM 0 HD2 ARG A 127 14.754 -5.546 0.924 1.00 0.00 H new ATOM 0 HD3 ARG A 127 14.545 -7.281 0.793 1.00 0.00 H new ATOM 0 HE ARG A 127 17.047 -5.796 0.076 1.00 0.00 H new ATOM 0 HH11 ARG A 127 15.355 -8.806 0.836 1.00 0.00 H new ATOM 0 HH12 ARG A 127 16.848 -9.698 1.150 1.00 0.00 H new ATOM 0 HH21 ARG A 127 18.951 -6.946 0.500 1.00 0.00 H new ATOM 0 HH22 ARG A 127 18.872 -8.649 0.961 1.00 0.00 H new ATOM 780 N PHE A 128 10.774 -3.684 0.190 1.00 0.00 N ATOM 781 CA PHE A 128 9.860 -2.561 0.057 1.00 0.00 C ATOM 782 C PHE A 128 10.364 -1.417 0.934 1.00 0.00 C ATOM 783 O PHE A 128 11.059 -1.657 1.922 1.00 0.00 O ATOM 784 CB PHE A 128 8.431 -2.984 0.455 1.00 0.00 C ATOM 785 CG PHE A 128 7.870 -2.285 1.669 1.00 0.00 C ATOM 786 CD1 PHE A 128 8.208 -2.704 2.947 1.00 0.00 C ATOM 787 CD2 PHE A 128 7.003 -1.214 1.529 1.00 0.00 C ATOM 788 CE1 PHE A 128 7.692 -2.067 4.058 1.00 0.00 C ATOM 789 CE2 PHE A 128 6.484 -0.573 2.638 1.00 0.00 C ATOM 790 CZ PHE A 128 6.833 -1.000 3.904 1.00 0.00 C ATOM 0 H PHE A 128 11.217 -3.745 1.107 1.00 0.00 H new ATOM 0 HA PHE A 128 9.824 -2.227 -0.980 1.00 0.00 H new ATOM 0 HB2 PHE A 128 7.766 -2.801 -0.389 1.00 0.00 H new ATOM 0 HB3 PHE A 128 8.425 -4.058 0.639 1.00 0.00 H new ATOM 0 HD1 PHE A 128 8.882 -3.538 3.075 1.00 0.00 H new ATOM 0 HD2 PHE A 128 6.729 -0.875 0.541 1.00 0.00 H new ATOM 0 HE1 PHE A 128 7.961 -2.405 5.048 1.00 0.00 H new ATOM 0 HE2 PHE A 128 5.807 0.260 2.515 1.00 0.00 H new ATOM 0 HZ PHE A 128 6.433 -0.498 4.773 1.00 0.00 H new ATOM 800 N HIS A 129 10.039 -0.184 0.577 1.00 0.00 N ATOM 801 CA HIS A 129 10.475 0.959 1.366 1.00 0.00 C ATOM 802 C HIS A 129 9.347 1.957 1.571 1.00 0.00 C ATOM 803 O HIS A 129 8.623 2.290 0.634 1.00 0.00 O ATOM 804 CB HIS A 129 11.660 1.643 0.694 1.00 0.00 C ATOM 805 CG HIS A 129 12.962 1.347 1.362 1.00 0.00 C ATOM 806 ND1 HIS A 129 13.280 1.893 2.580 1.00 0.00 N ATOM 807 CD2 HIS A 129 13.978 0.555 0.953 1.00 0.00 C ATOM 808 CE1 HIS A 129 14.474 1.424 2.884 1.00 0.00 C ATOM 809 NE2 HIS A 129 14.939 0.607 1.929 1.00 0.00 N ATOM 0 H HIS A 129 9.481 0.050 -0.244 1.00 0.00 H new ATOM 0 HA HIS A 129 10.780 0.589 2.345 1.00 0.00 H new ATOM 0 HB2 HIS A 129 11.712 1.326 -0.348 1.00 0.00 H new ATOM 0 HB3 HIS A 129 11.496 2.721 0.691 1.00 0.00 H new ATOM 0 HD2 HIS A 129 14.024 -0.010 0.034 1.00 0.00 H new ATOM 0 HE1 HIS A 129 15.010 1.668 3.789 1.00 0.00 H new ATOM 0 HE2 HIS A 129 15.834 0.119 1.928 1.00 0.00 H new ATOM 817 N TYR A 130 9.193 2.406 2.808 1.00 0.00 N ATOM 818 CA TYR A 130 8.219 3.425 3.147 1.00 0.00 C ATOM 819 C TYR A 130 8.914 4.565 3.875 1.00 0.00 C ATOM 820 O TYR A 130 9.215 4.462 5.063 1.00 0.00 O ATOM 821 CB TYR A 130 7.109 2.842 4.026 1.00 0.00 C ATOM 822 CG TYR A 130 5.778 3.551 3.887 1.00 0.00 C ATOM 823 CD1 TYR A 130 5.069 3.516 2.693 1.00 0.00 C ATOM 824 CD2 TYR A 130 5.228 4.249 4.954 1.00 0.00 C ATOM 825 CE1 TYR A 130 3.853 4.157 2.566 1.00 0.00 C ATOM 826 CE2 TYR A 130 4.011 4.892 4.835 1.00 0.00 C ATOM 827 CZ TYR A 130 3.328 4.843 3.640 1.00 0.00 C ATOM 828 OH TYR A 130 2.118 5.481 3.517 1.00 0.00 O ATOM 0 H TYR A 130 9.740 2.073 3.602 1.00 0.00 H new ATOM 0 HA TYR A 130 7.766 3.799 2.229 1.00 0.00 H new ATOM 0 HB2 TYR A 130 6.976 1.789 3.776 1.00 0.00 H new ATOM 0 HB3 TYR A 130 7.425 2.885 5.068 1.00 0.00 H new ATOM 0 HD1 TYR A 130 5.476 2.978 1.850 1.00 0.00 H new ATOM 0 HD2 TYR A 130 5.761 4.290 5.893 1.00 0.00 H new ATOM 0 HE1 TYR A 130 3.316 4.121 1.630 1.00 0.00 H new ATOM 0 HE2 TYR A 130 3.597 5.430 5.675 1.00 0.00 H new ATOM 0 HH TYR A 130 1.630 5.113 2.751 1.00 0.00 H new ATOM 838 N ILE A 131 9.163 5.648 3.166 1.00 0.00 N ATOM 839 CA ILE A 131 9.842 6.796 3.744 1.00 0.00 C ATOM 840 C ILE A 131 9.027 8.049 3.494 1.00 0.00 C ATOM 841 O ILE A 131 8.619 8.309 2.365 1.00 0.00 O ATOM 842 CB ILE A 131 11.261 6.977 3.157 1.00 0.00 C ATOM 843 CG1 ILE A 131 12.115 5.729 3.402 1.00 0.00 C ATOM 844 CG2 ILE A 131 11.944 8.203 3.755 1.00 0.00 C ATOM 845 CD1 ILE A 131 12.597 5.072 2.130 1.00 0.00 C ATOM 0 H ILE A 131 8.905 5.759 2.185 1.00 0.00 H new ATOM 0 HA ILE A 131 9.941 6.621 4.815 1.00 0.00 H new ATOM 0 HB ILE A 131 11.160 7.125 2.082 1.00 0.00 H new ATOM 0 HG12 ILE A 131 12.977 6.002 4.010 1.00 0.00 H new ATOM 0 HG13 ILE A 131 11.534 5.008 3.977 1.00 0.00 H new ATOM 0 HG21 ILE A 131 12.941 8.309 3.327 1.00 0.00 H new ATOM 0 HG22 ILE A 131 11.356 9.093 3.531 1.00 0.00 H new ATOM 0 HG23 ILE A 131 12.024 8.084 4.836 1.00 0.00 H new ATOM 0 HD11 ILE A 131 13.195 4.195 2.378 1.00 0.00 H new ATOM 0 HD12 ILE A 131 11.739 4.768 1.530 1.00 0.00 H new ATOM 0 HD13 ILE A 131 13.205 5.778 1.564 1.00 0.00 H new ATOM 857 N ASN A 132 8.761 8.795 4.562 1.00 0.00 N ATOM 858 CA ASN A 132 8.010 10.045 4.467 1.00 0.00 C ATOM 859 C ASN A 132 6.607 9.800 3.922 1.00 0.00 C ATOM 860 O ASN A 132 6.047 10.641 3.223 1.00 0.00 O ATOM 861 CB ASN A 132 8.748 11.044 3.573 1.00 0.00 C ATOM 862 CG ASN A 132 9.505 12.086 4.364 1.00 0.00 C ATOM 863 OD1 ASN A 132 10.178 11.772 5.345 1.00 0.00 O ATOM 864 ND2 ASN A 132 9.399 13.336 3.946 1.00 0.00 N ATOM 0 H ASN A 132 9.056 8.555 5.509 1.00 0.00 H new ATOM 0 HA ASN A 132 7.923 10.461 5.471 1.00 0.00 H new ATOM 0 HB2 ASN A 132 9.444 10.505 2.930 1.00 0.00 H new ATOM 0 HB3 ASN A 132 8.030 11.540 2.920 1.00 0.00 H new ATOM 0 HD21 ASN A 132 9.886 14.083 4.442 1.00 0.00 H new ATOM 0 HD22 ASN A 132 8.830 13.554 3.128 1.00 0.00 H new ATOM 871 N GLY A 133 6.047 8.639 4.241 1.00 0.00 N ATOM 872 CA GLY A 133 4.733 8.296 3.739 1.00 0.00 C ATOM 873 C GLY A 133 4.738 8.070 2.242 1.00 0.00 C ATOM 874 O GLY A 133 3.781 8.411 1.550 1.00 0.00 O ATOM 0 H GLY A 133 6.479 7.932 4.836 1.00 0.00 H new ATOM 0 HA2 GLY A 133 4.377 7.396 4.240 1.00 0.00 H new ATOM 0 HA3 GLY A 133 4.032 9.095 3.983 1.00 0.00 H new ATOM 878 N SER A 134 5.827 7.506 1.735 1.00 0.00 N ATOM 879 CA SER A 134 5.969 7.271 0.310 1.00 0.00 C ATOM 880 C SER A 134 6.590 5.902 0.078 1.00 0.00 C ATOM 881 O SER A 134 7.408 5.444 0.880 1.00 0.00 O ATOM 882 CB SER A 134 6.832 8.365 -0.329 1.00 0.00 C ATOM 883 OG SER A 134 6.716 9.599 0.372 1.00 0.00 O ATOM 0 H SER A 134 6.625 7.203 2.294 1.00 0.00 H new ATOM 0 HA SER A 134 4.984 7.299 -0.155 1.00 0.00 H new ATOM 0 HB2 SER A 134 7.875 8.048 -0.339 1.00 0.00 H new ATOM 0 HB3 SER A 134 6.532 8.506 -1.367 1.00 0.00 H new ATOM 0 HG SER A 134 7.274 9.571 1.177 1.00 0.00 H new ATOM 889 N LEU A 135 6.203 5.250 -1.006 1.00 0.00 N ATOM 890 CA LEU A 135 6.666 3.905 -1.283 1.00 0.00 C ATOM 891 C LEU A 135 7.807 3.928 -2.284 1.00 0.00 C ATOM 892 O LEU A 135 7.715 4.565 -3.332 1.00 0.00 O ATOM 893 CB LEU A 135 5.514 3.042 -1.803 1.00 0.00 C ATOM 894 CG LEU A 135 4.487 2.638 -0.744 1.00 0.00 C ATOM 895 CD1 LEU A 135 3.105 2.482 -1.364 1.00 0.00 C ATOM 896 CD2 LEU A 135 4.917 1.354 -0.055 1.00 0.00 C ATOM 0 H LEU A 135 5.569 5.633 -1.707 1.00 0.00 H new ATOM 0 HA LEU A 135 7.034 3.469 -0.354 1.00 0.00 H new ATOM 0 HB2 LEU A 135 5.002 3.585 -2.597 1.00 0.00 H new ATOM 0 HB3 LEU A 135 5.929 2.139 -2.250 1.00 0.00 H new ATOM 0 HG LEU A 135 4.433 3.429 0.004 1.00 0.00 H new ATOM 0 HD11 LEU A 135 2.391 2.194 -0.593 1.00 0.00 H new ATOM 0 HD12 LEU A 135 2.797 3.428 -1.809 1.00 0.00 H new ATOM 0 HD13 LEU A 135 3.137 1.712 -2.135 1.00 0.00 H new ATOM 0 HD21 LEU A 135 4.177 1.079 0.696 1.00 0.00 H new ATOM 0 HD22 LEU A 135 5.000 0.556 -0.792 1.00 0.00 H new ATOM 0 HD23 LEU A 135 5.883 1.505 0.426 1.00 0.00 H new ATOM 908 N PHE A 136 8.890 3.252 -1.934 1.00 0.00 N ATOM 909 CA PHE A 136 10.064 3.165 -2.787 1.00 0.00 C ATOM 910 C PHE A 136 10.476 1.708 -2.937 1.00 0.00 C ATOM 911 O PHE A 136 10.077 0.858 -2.135 1.00 0.00 O ATOM 912 CB PHE A 136 11.224 3.981 -2.193 1.00 0.00 C ATOM 913 CG PHE A 136 10.893 5.430 -1.965 1.00 0.00 C ATOM 914 CD1 PHE A 136 10.727 6.295 -3.034 1.00 0.00 C ATOM 915 CD2 PHE A 136 10.747 5.923 -0.680 1.00 0.00 C ATOM 916 CE1 PHE A 136 10.419 7.627 -2.823 1.00 0.00 C ATOM 917 CE2 PHE A 136 10.440 7.252 -0.462 1.00 0.00 C ATOM 918 CZ PHE A 136 10.275 8.104 -1.535 1.00 0.00 C ATOM 0 H PHE A 136 8.980 2.749 -1.051 1.00 0.00 H new ATOM 0 HA PHE A 136 9.820 3.576 -3.767 1.00 0.00 H new ATOM 0 HB2 PHE A 136 11.523 3.533 -1.245 1.00 0.00 H new ATOM 0 HB3 PHE A 136 12.082 3.915 -2.862 1.00 0.00 H new ATOM 0 HD1 PHE A 136 10.839 5.926 -4.043 1.00 0.00 H new ATOM 0 HD2 PHE A 136 10.875 5.260 0.163 1.00 0.00 H new ATOM 0 HE1 PHE A 136 10.291 8.293 -3.664 1.00 0.00 H new ATOM 0 HE2 PHE A 136 10.329 7.624 0.546 1.00 0.00 H new ATOM 0 HZ PHE A 136 10.033 9.143 -1.368 1.00 0.00 H new ATOM 928 N CYS A 137 11.263 1.423 -3.959 1.00 0.00 N ATOM 929 CA CYS A 137 11.797 0.091 -4.159 1.00 0.00 C ATOM 930 C CYS A 137 13.169 -0.017 -3.513 1.00 0.00 C ATOM 931 O CYS A 137 13.712 0.965 -3.008 1.00 0.00 O ATOM 932 CB CYS A 137 11.959 -0.244 -5.651 1.00 0.00 C ATOM 933 SG CYS A 137 10.597 0.250 -6.748 1.00 0.00 S ATOM 0 H CYS A 137 11.547 2.101 -4.666 1.00 0.00 H new ATOM 0 HA CYS A 137 11.090 -0.606 -3.709 1.00 0.00 H new ATOM 0 HB2 CYS A 137 12.874 0.229 -6.009 1.00 0.00 H new ATOM 0 HB3 CYS A 137 12.099 -1.321 -5.745 1.00 0.00 H new ATOM 0 HG CYS A 137 10.186 1.439 -6.421 1.00 0.00 H new ATOM 938 N GLU A 138 13.733 -1.211 -3.555 1.00 0.00 N ATOM 939 CA GLU A 138 15.158 -1.372 -3.332 1.00 0.00 C ATOM 940 C GLU A 138 15.868 -0.962 -4.616 1.00 0.00 C ATOM 941 O GLU A 138 17.077 -0.743 -4.648 1.00 0.00 O ATOM 942 CB GLU A 138 15.512 -2.813 -2.957 1.00 0.00 C ATOM 943 CG GLU A 138 16.316 -2.926 -1.668 1.00 0.00 C ATOM 944 CD GLU A 138 17.501 -3.861 -1.807 1.00 0.00 C ATOM 945 OE1 GLU A 138 18.119 -3.885 -2.894 1.00 0.00 O ATOM 946 OE2 GLU A 138 17.815 -4.583 -0.836 1.00 0.00 O ATOM 0 H GLU A 138 13.229 -2.078 -3.740 1.00 0.00 H new ATOM 0 HA GLU A 138 15.474 -0.748 -2.496 1.00 0.00 H new ATOM 0 HB2 GLU A 138 14.593 -3.389 -2.854 1.00 0.00 H new ATOM 0 HB3 GLU A 138 16.081 -3.263 -3.771 1.00 0.00 H new ATOM 0 HG2 GLU A 138 16.669 -1.937 -1.375 1.00 0.00 H new ATOM 0 HG3 GLU A 138 15.667 -3.283 -0.868 1.00 0.00 H new ATOM 953 N HIS A 139 15.067 -0.861 -5.671 1.00 0.00 N ATOM 954 CA HIS A 139 15.517 -0.428 -6.983 1.00 0.00 C ATOM 955 C HIS A 139 15.865 1.065 -6.966 1.00 0.00 C ATOM 956 O HIS A 139 16.920 1.471 -7.448 1.00 0.00 O ATOM 957 CB HIS A 139 14.404 -0.717 -8.006 1.00 0.00 C ATOM 958 CG HIS A 139 14.759 -0.400 -9.426 1.00 0.00 C ATOM 959 ND1 HIS A 139 15.872 -0.933 -10.029 1.00 0.00 N ATOM 960 CD2 HIS A 139 14.092 0.361 -10.324 1.00 0.00 C ATOM 961 CE1 HIS A 139 15.855 -0.489 -11.274 1.00 0.00 C ATOM 962 NE2 HIS A 139 14.795 0.300 -11.496 1.00 0.00 N ATOM 0 H HIS A 139 14.072 -1.082 -5.635 1.00 0.00 H new ATOM 0 HA HIS A 139 16.418 -0.974 -7.262 1.00 0.00 H new ATOM 0 HB2 HIS A 139 14.134 -1.771 -7.940 1.00 0.00 H new ATOM 0 HB3 HIS A 139 13.519 -0.144 -7.731 1.00 0.00 H new ATOM 0 HD2 HIS A 139 13.179 0.911 -10.149 1.00 0.00 H new ATOM 0 HE1 HIS A 139 16.600 -0.731 -12.017 1.00 0.00 H new ATOM 0 HE2 HIS A 139 14.558 0.766 -12.372 1.00 0.00 H new ATOM 970 N ASP A 140 14.982 1.874 -6.388 1.00 0.00 N ATOM 971 CA ASP A 140 15.183 3.325 -6.352 1.00 0.00 C ATOM 972 C ASP A 140 15.495 3.807 -4.935 1.00 0.00 C ATOM 973 O ASP A 140 15.479 5.006 -4.662 1.00 0.00 O ATOM 974 CB ASP A 140 13.954 4.056 -6.911 1.00 0.00 C ATOM 975 CG ASP A 140 12.805 4.168 -5.921 1.00 0.00 C ATOM 976 OD1 ASP A 140 12.067 3.174 -5.747 1.00 0.00 O ATOM 977 OD2 ASP A 140 12.632 5.258 -5.329 1.00 0.00 O ATOM 0 H ASP A 140 14.123 1.555 -5.939 1.00 0.00 H new ATOM 0 HA ASP A 140 16.042 3.558 -6.982 1.00 0.00 H new ATOM 0 HB2 ASP A 140 14.250 5.057 -7.225 1.00 0.00 H new ATOM 0 HB3 ASP A 140 13.605 3.533 -7.801 1.00 0.00 H new ATOM 982 N ARG A 141 15.808 2.857 -4.056 1.00 0.00 N ATOM 983 CA ARG A 141 16.076 3.141 -2.641 1.00 0.00 C ATOM 984 C ARG A 141 17.040 4.315 -2.465 1.00 0.00 C ATOM 985 O ARG A 141 18.209 4.244 -2.860 1.00 0.00 O ATOM 986 CB ARG A 141 16.640 1.897 -1.949 1.00 0.00 C ATOM 987 CG ARG A 141 17.087 2.138 -0.513 1.00 0.00 C ATOM 988 CD ARG A 141 18.074 1.078 -0.058 1.00 0.00 C ATOM 989 NE ARG A 141 18.782 1.470 1.163 1.00 0.00 N ATOM 990 CZ ARG A 141 20.078 1.777 1.207 1.00 0.00 C ATOM 991 NH1 ARG A 141 20.791 1.833 0.086 1.00 0.00 N ATOM 992 NH2 ARG A 141 20.650 2.055 2.371 1.00 0.00 N ATOM 0 H ARG A 141 15.884 1.870 -4.300 1.00 0.00 H new ATOM 0 HA ARG A 141 15.128 3.418 -2.180 1.00 0.00 H new ATOM 0 HB2 ARG A 141 15.882 1.114 -1.956 1.00 0.00 H new ATOM 0 HB3 ARG A 141 17.487 1.526 -2.525 1.00 0.00 H new ATOM 0 HG2 ARG A 141 17.546 3.124 -0.433 1.00 0.00 H new ATOM 0 HG3 ARG A 141 16.219 2.136 0.146 1.00 0.00 H new ATOM 0 HD2 ARG A 141 17.544 0.141 0.116 1.00 0.00 H new ATOM 0 HD3 ARG A 141 18.797 0.893 -0.852 1.00 0.00 H new ATOM 0 HE ARG A 141 18.251 1.510 2.033 1.00 0.00 H new ATOM 0 HH11 ARG A 141 20.346 1.641 -0.812 1.00 0.00 H new ATOM 0 HH12 ARG A 141 21.783 2.068 0.124 1.00 0.00 H new ATOM 0 HH21 ARG A 141 20.098 2.033 3.229 1.00 0.00 H new ATOM 0 HH22 ARG A 141 21.642 2.290 2.409 1.00 0.00 H new ATOM 1006 N PRO A 142 16.547 5.417 -1.883 1.00 0.00 N ATOM 1007 CA PRO A 142 17.338 6.621 -1.648 1.00 0.00 C ATOM 1008 C PRO A 142 18.225 6.498 -0.412 1.00 0.00 C ATOM 1009 O PRO A 142 17.730 6.342 0.704 1.00 0.00 O ATOM 1010 CB PRO A 142 16.281 7.714 -1.428 1.00 0.00 C ATOM 1011 CG PRO A 142 14.950 7.055 -1.631 1.00 0.00 C ATOM 1012 CD PRO A 142 15.168 5.590 -1.417 1.00 0.00 C ATOM 0 HA PRO A 142 18.017 6.824 -2.476 1.00 0.00 H new ATOM 0 HB2 PRO A 142 16.358 8.134 -0.425 1.00 0.00 H new ATOM 0 HB3 PRO A 142 16.419 8.536 -2.130 1.00 0.00 H new ATOM 0 HG2 PRO A 142 14.212 7.445 -0.929 1.00 0.00 H new ATOM 0 HG3 PRO A 142 14.569 7.249 -2.634 1.00 0.00 H new ATOM 0 HD2 PRO A 142 15.053 5.309 -0.370 1.00 0.00 H new ATOM 0 HD3 PRO A 142 14.465 4.985 -1.989 1.00 0.00 H new ATOM 1020 N THR A 143 19.533 6.593 -0.609 1.00 0.00 N ATOM 1021 CA THR A 143 20.495 6.481 0.483 1.00 0.00 C ATOM 1022 C THR A 143 20.478 7.714 1.394 1.00 0.00 C ATOM 1023 O THR A 143 21.077 7.711 2.470 1.00 0.00 O ATOM 1024 CB THR A 143 21.912 6.294 -0.077 1.00 0.00 C ATOM 1025 OG1 THR A 143 21.864 6.313 -1.511 1.00 0.00 O ATOM 1026 CG2 THR A 143 22.518 4.981 0.397 1.00 0.00 C ATOM 0 H THR A 143 19.957 6.749 -1.524 1.00 0.00 H new ATOM 0 HA THR A 143 20.206 5.613 1.076 1.00 0.00 H new ATOM 0 HB THR A 143 22.538 7.110 0.285 1.00 0.00 H new ATOM 0 HG1 THR A 143 22.768 6.195 -1.870 1.00 0.00 H new ATOM 0 HG21 THR A 143 23.522 4.874 -0.014 1.00 0.00 H new ATOM 0 HG22 THR A 143 22.570 4.976 1.486 1.00 0.00 H new ATOM 0 HG23 THR A 143 21.897 4.151 0.060 1.00 0.00 H new ATOM 1034 N ALA A 144 19.798 8.767 0.953 1.00 0.00 N ATOM 1035 CA ALA A 144 19.713 10.004 1.719 1.00 0.00 C ATOM 1036 C ALA A 144 18.397 10.092 2.489 1.00 0.00 C ATOM 1037 O ALA A 144 18.271 10.862 3.442 1.00 0.00 O ATOM 1038 CB ALA A 144 19.861 11.204 0.793 1.00 0.00 C ATOM 0 H ALA A 144 19.296 8.788 0.065 1.00 0.00 H new ATOM 0 HA ALA A 144 20.527 10.008 2.444 1.00 0.00 H new ATOM 0 HB1 ALA A 144 19.796 12.123 1.375 1.00 0.00 H new ATOM 0 HB2 ALA A 144 20.828 11.160 0.292 1.00 0.00 H new ATOM 0 HB3 ALA A 144 19.065 11.189 0.048 1.00 0.00 H new ATOM 1044 N LEU A 145 17.420 9.298 2.076 1.00 0.00 N ATOM 1045 CA LEU A 145 16.106 9.316 2.704 1.00 0.00 C ATOM 1046 C LEU A 145 15.694 7.907 3.108 1.00 0.00 C ATOM 1047 O LEU A 145 14.982 7.222 2.378 1.00 0.00 O ATOM 1048 CB LEU A 145 15.064 9.930 1.763 1.00 0.00 C ATOM 1049 CG LEU A 145 14.793 11.424 1.982 1.00 0.00 C ATOM 1050 CD1 LEU A 145 14.409 12.093 0.672 1.00 0.00 C ATOM 1051 CD2 LEU A 145 13.697 11.621 3.021 1.00 0.00 C ATOM 0 H LEU A 145 17.512 8.633 1.308 1.00 0.00 H new ATOM 0 HA LEU A 145 16.162 9.933 3.601 1.00 0.00 H new ATOM 0 HB2 LEU A 145 15.394 9.783 0.735 1.00 0.00 H new ATOM 0 HB3 LEU A 145 14.127 9.385 1.878 1.00 0.00 H new ATOM 0 HG LEU A 145 15.707 11.889 2.352 1.00 0.00 H new ATOM 0 HD11 LEU A 145 14.220 13.152 0.846 1.00 0.00 H new ATOM 0 HD12 LEU A 145 15.222 11.982 -0.045 1.00 0.00 H new ATOM 0 HD13 LEU A 145 13.509 11.625 0.275 1.00 0.00 H new ATOM 0 HD21 LEU A 145 13.518 12.687 3.164 1.00 0.00 H new ATOM 0 HD22 LEU A 145 12.780 11.142 2.678 1.00 0.00 H new ATOM 0 HD23 LEU A 145 14.007 11.176 3.966 1.00 0.00 H new ATOM 1063 N ILE A 146 16.164 7.477 4.272 1.00 0.00 N ATOM 1064 CA ILE A 146 15.872 6.147 4.781 1.00 0.00 C ATOM 1065 C ILE A 146 15.603 6.209 6.281 1.00 0.00 C ATOM 1066 O ILE A 146 16.267 6.954 7.007 1.00 0.00 O ATOM 1067 CB ILE A 146 17.033 5.156 4.511 1.00 0.00 C ATOM 1068 CG1 ILE A 146 18.306 5.899 4.092 1.00 0.00 C ATOM 1069 CG2 ILE A 146 16.630 4.155 3.441 1.00 0.00 C ATOM 1070 CD1 ILE A 146 19.379 5.906 5.158 1.00 0.00 C ATOM 0 H ILE A 146 16.755 8.038 4.885 1.00 0.00 H new ATOM 0 HA ILE A 146 14.988 5.785 4.256 1.00 0.00 H new ATOM 0 HB ILE A 146 17.244 4.620 5.436 1.00 0.00 H new ATOM 0 HG12 ILE A 146 18.705 5.438 3.189 1.00 0.00 H new ATOM 0 HG13 ILE A 146 18.050 6.928 3.839 1.00 0.00 H new ATOM 0 HG21 ILE A 146 17.454 3.464 3.260 1.00 0.00 H new ATOM 0 HG22 ILE A 146 15.755 3.597 3.776 1.00 0.00 H new ATOM 0 HG23 ILE A 146 16.391 4.685 2.519 1.00 0.00 H new ATOM 0 HD11 ILE A 146 20.251 6.449 4.793 1.00 0.00 H new ATOM 0 HD12 ILE A 146 18.997 6.393 6.055 1.00 0.00 H new ATOM 0 HD13 ILE A 146 19.663 4.881 5.395 1.00 0.00 H new ATOM 1146 N GLY A 207 17.228 -3.017 3.902 1.00 0.00 N ATOM 1147 CA GLY A 207 16.312 -3.739 3.042 1.00 0.00 C ATOM 1148 C GLY A 207 15.075 -4.213 3.777 1.00 0.00 C ATOM 1149 O GLY A 207 15.028 -5.349 4.257 1.00 0.00 O ATOM 0 HA2 GLY A 207 16.014 -3.096 2.214 1.00 0.00 H new ATOM 0 HA3 GLY A 207 16.825 -4.598 2.610 1.00 0.00 H new ATOM 1153 N SER A 208 14.080 -3.345 3.873 1.00 0.00 N ATOM 1154 CA SER A 208 12.829 -3.687 4.530 1.00 0.00 C ATOM 1155 C SER A 208 12.010 -4.639 3.663 1.00 0.00 C ATOM 1156 O SER A 208 12.079 -4.592 2.434 1.00 0.00 O ATOM 1157 CB SER A 208 12.030 -2.417 4.819 1.00 0.00 C ATOM 1158 OG SER A 208 12.612 -1.296 4.174 1.00 0.00 O ATOM 0 H SER A 208 14.115 -2.395 3.503 1.00 0.00 H new ATOM 0 HA SER A 208 13.055 -4.188 5.471 1.00 0.00 H new ATOM 0 HB2 SER A 208 11.002 -2.544 4.479 1.00 0.00 H new ATOM 0 HB3 SER A 208 11.991 -2.244 5.894 1.00 0.00 H new ATOM 0 HG SER A 208 12.213 -1.186 3.286 1.00 0.00 H new ATOM 1164 N ILE A 404 11.247 -5.501 4.312 1.00 0.00 N ATOM 1165 CA ILE A 404 10.413 -6.467 3.618 1.00 0.00 C ATOM 1166 C ILE A 404 8.954 -6.035 3.662 1.00 0.00 C ATOM 1167 O ILE A 404 8.473 -5.571 4.698 1.00 0.00 O ATOM 1168 CB ILE A 404 10.552 -7.871 4.257 1.00 0.00 C ATOM 1169 CG1 ILE A 404 12.020 -8.313 4.272 1.00 0.00 C ATOM 1170 CG2 ILE A 404 9.697 -8.892 3.521 1.00 0.00 C ATOM 1171 CD1 ILE A 404 12.642 -8.414 2.896 1.00 0.00 C ATOM 0 H ILE A 404 11.188 -5.551 5.329 1.00 0.00 H new ATOM 0 HA ILE A 404 10.745 -6.515 2.581 1.00 0.00 H new ATOM 0 HB ILE A 404 10.197 -7.810 5.286 1.00 0.00 H new ATOM 0 HG12 ILE A 404 12.596 -7.607 4.870 1.00 0.00 H new ATOM 0 HG13 ILE A 404 12.093 -9.282 4.765 1.00 0.00 H new ATOM 0 HG21 ILE A 404 9.813 -9.869 3.990 1.00 0.00 H new ATOM 0 HG22 ILE A 404 8.651 -8.590 3.565 1.00 0.00 H new ATOM 0 HG23 ILE A 404 10.014 -8.949 2.480 1.00 0.00 H new ATOM 0 HD11 ILE A 404 13.681 -8.732 2.989 1.00 0.00 H new ATOM 0 HD12 ILE A 404 12.091 -9.142 2.300 1.00 0.00 H new ATOM 0 HD13 ILE A 404 12.603 -7.441 2.407 1.00 0.00 H new ATOM 1183 N ALA A 405 8.268 -6.165 2.530 1.00 0.00 N ATOM 1184 CA ALA A 405 6.845 -5.867 2.460 1.00 0.00 C ATOM 1185 C ALA A 405 6.075 -6.779 3.409 1.00 0.00 C ATOM 1186 O ALA A 405 6.217 -8.001 3.340 1.00 0.00 O ATOM 1187 CB ALA A 405 6.337 -6.019 1.031 1.00 0.00 C ATOM 0 H ALA A 405 8.677 -6.475 1.649 1.00 0.00 H new ATOM 0 HA ALA A 405 6.685 -4.833 2.766 1.00 0.00 H new ATOM 0 HB1 ALA A 405 5.271 -5.792 0.998 1.00 0.00 H new ATOM 0 HB2 ALA A 405 6.875 -5.331 0.379 1.00 0.00 H new ATOM 0 HB3 ALA A 405 6.501 -7.042 0.693 1.00 0.00 H new ATOM 1193 N PRO A 406 5.259 -6.186 4.307 1.00 0.00 N ATOM 1194 CA PRO A 406 4.549 -6.914 5.372 1.00 0.00 C ATOM 1195 C PRO A 406 3.912 -8.208 4.889 1.00 0.00 C ATOM 1196 O PRO A 406 4.389 -9.286 5.234 1.00 0.00 O ATOM 1197 CB PRO A 406 3.488 -5.912 5.831 1.00 0.00 C ATOM 1198 CG PRO A 406 4.098 -4.581 5.571 1.00 0.00 C ATOM 1199 CD PRO A 406 4.964 -4.741 4.347 1.00 0.00 C ATOM 0 HA PRO A 406 5.224 -7.234 6.166 1.00 0.00 H new ATOM 0 HB2 PRO A 406 2.557 -6.037 5.277 1.00 0.00 H new ATOM 0 HB3 PRO A 406 3.251 -6.041 6.887 1.00 0.00 H new ATOM 0 HG2 PRO A 406 3.329 -3.827 5.406 1.00 0.00 H new ATOM 0 HG3 PRO A 406 4.690 -4.252 6.425 1.00 0.00 H new ATOM 0 HD2 PRO A 406 4.446 -4.414 3.446 1.00 0.00 H new ATOM 0 HD3 PRO A 406 5.876 -4.149 4.423 1.00 0.00 H new ATOM 1207 N PHE A 407 2.845 -8.065 4.091 1.00 0.00 N ATOM 1208 CA PHE A 407 2.100 -9.170 3.464 1.00 0.00 C ATOM 1209 C PHE A 407 0.645 -8.747 3.297 1.00 0.00 C ATOM 1210 O PHE A 407 0.190 -7.824 3.975 1.00 0.00 O ATOM 1211 CB PHE A 407 2.147 -10.469 4.290 1.00 0.00 C ATOM 1212 CG PHE A 407 2.869 -11.602 3.603 1.00 0.00 C ATOM 1213 CD1 PHE A 407 4.254 -11.628 3.543 1.00 0.00 C ATOM 1214 CD2 PHE A 407 2.164 -12.636 3.013 1.00 0.00 C ATOM 1215 CE1 PHE A 407 4.916 -12.663 2.915 1.00 0.00 C ATOM 1216 CE2 PHE A 407 2.823 -13.673 2.380 1.00 0.00 C ATOM 1217 CZ PHE A 407 4.200 -13.686 2.329 1.00 0.00 C ATOM 0 H PHE A 407 2.463 -7.149 3.855 1.00 0.00 H new ATOM 0 HA PHE A 407 2.571 -9.378 2.503 1.00 0.00 H new ATOM 0 HB2 PHE A 407 2.635 -10.265 5.243 1.00 0.00 H new ATOM 0 HB3 PHE A 407 1.128 -10.783 4.514 1.00 0.00 H new ATOM 0 HD1 PHE A 407 4.822 -10.828 3.994 1.00 0.00 H new ATOM 0 HD2 PHE A 407 1.085 -12.633 3.048 1.00 0.00 H new ATOM 0 HE1 PHE A 407 5.995 -12.672 2.882 1.00 0.00 H new ATOM 0 HE2 PHE A 407 2.258 -14.473 1.925 1.00 0.00 H new ATOM 0 HZ PHE A 407 4.717 -14.494 1.832 1.00 0.00 H new ATOM 1227 N PRO A 408 -0.096 -9.382 2.370 1.00 0.00 N ATOM 1228 CA PRO A 408 -1.532 -9.145 2.207 1.00 0.00 C ATOM 1229 C PRO A 408 -2.319 -9.509 3.463 1.00 0.00 C ATOM 1230 O PRO A 408 -2.124 -10.579 4.045 1.00 0.00 O ATOM 1231 CB PRO A 408 -1.932 -10.068 1.048 1.00 0.00 C ATOM 1232 CG PRO A 408 -0.663 -10.379 0.343 1.00 0.00 C ATOM 1233 CD PRO A 408 0.406 -10.362 1.398 1.00 0.00 C ATOM 0 HA PRO A 408 -1.746 -8.093 2.019 1.00 0.00 H new ATOM 0 HB2 PRO A 408 -2.411 -10.976 1.415 1.00 0.00 H new ATOM 0 HB3 PRO A 408 -2.643 -9.579 0.382 1.00 0.00 H new ATOM 0 HG2 PRO A 408 -0.715 -11.352 -0.145 1.00 0.00 H new ATOM 0 HG3 PRO A 408 -0.457 -9.643 -0.434 1.00 0.00 H new ATOM 0 HD2 PRO A 408 0.541 -11.345 1.850 1.00 0.00 H new ATOM 0 HD3 PRO A 408 1.371 -10.064 0.988 1.00 0.00 H new ATOM 1241 N GLU A 409 -3.196 -8.615 3.882 1.00 0.00 N ATOM 1242 CA GLU A 409 -4.014 -8.840 5.058 1.00 0.00 C ATOM 1243 C GLU A 409 -5.442 -8.366 4.798 1.00 0.00 C ATOM 1244 O GLU A 409 -5.671 -7.504 3.951 1.00 0.00 O ATOM 1245 CB GLU A 409 -3.413 -8.098 6.256 1.00 0.00 C ATOM 1246 CG GLU A 409 -3.793 -8.688 7.604 1.00 0.00 C ATOM 1247 CD GLU A 409 -2.714 -8.497 8.649 1.00 0.00 C ATOM 1248 OE1 GLU A 409 -2.442 -7.340 9.031 1.00 0.00 O ATOM 1249 OE2 GLU A 409 -2.143 -9.509 9.107 1.00 0.00 O ATOM 0 H GLU A 409 -3.360 -7.720 3.421 1.00 0.00 H new ATOM 0 HA GLU A 409 -4.038 -9.907 5.282 1.00 0.00 H new ATOM 0 HB2 GLU A 409 -2.327 -8.100 6.164 1.00 0.00 H new ATOM 0 HB3 GLU A 409 -3.734 -7.057 6.223 1.00 0.00 H new ATOM 0 HG2 GLU A 409 -4.716 -8.225 7.952 1.00 0.00 H new ATOM 0 HG3 GLU A 409 -3.995 -9.753 7.486 1.00 0.00 H new ATOM 1256 N ALA A 410 -6.398 -8.943 5.509 1.00 0.00 N ATOM 1257 CA ALA A 410 -7.783 -8.515 5.404 1.00 0.00 C ATOM 1258 C ALA A 410 -8.035 -7.364 6.364 1.00 0.00 C ATOM 1259 O ALA A 410 -7.655 -7.433 7.536 1.00 0.00 O ATOM 1260 CB ALA A 410 -8.722 -9.678 5.690 1.00 0.00 C ATOM 0 H ALA A 410 -6.240 -9.708 6.164 1.00 0.00 H new ATOM 0 HA ALA A 410 -7.977 -8.172 4.388 1.00 0.00 H new ATOM 0 HB1 ALA A 410 -9.755 -9.340 5.607 1.00 0.00 H new ATOM 0 HB2 ALA A 410 -8.542 -10.476 4.970 1.00 0.00 H new ATOM 0 HB3 ALA A 410 -8.542 -10.051 6.698 1.00 0.00 H new ATOM 1266 N ALA A 411 -8.643 -6.298 5.861 1.00 0.00 N ATOM 1267 CA ALA A 411 -8.888 -5.111 6.665 1.00 0.00 C ATOM 1268 C ALA A 411 -10.368 -4.977 7.018 1.00 0.00 C ATOM 1269 O ALA A 411 -10.947 -5.860 7.653 1.00 0.00 O ATOM 1270 CB ALA A 411 -8.387 -3.874 5.927 1.00 0.00 C ATOM 0 H ALA A 411 -8.975 -6.232 4.899 1.00 0.00 H new ATOM 0 HA ALA A 411 -8.339 -5.207 7.602 1.00 0.00 H new ATOM 0 HB1 ALA A 411 -8.573 -2.988 6.534 1.00 0.00 H new ATOM 0 HB2 ALA A 411 -7.317 -3.969 5.742 1.00 0.00 H new ATOM 0 HB3 ALA A 411 -8.912 -3.780 4.977 1.00 0.00 H new ATOM 1276 N LEU A 412 -10.973 -3.874 6.601 1.00 0.00 N ATOM 1277 CA LEU A 412 -12.373 -3.619 6.886 1.00 0.00 C ATOM 1278 C LEU A 412 -13.235 -4.045 5.705 1.00 0.00 C ATOM 1279 O LEU A 412 -12.960 -3.668 4.566 1.00 0.00 O ATOM 1280 CB LEU A 412 -12.595 -2.137 7.199 1.00 0.00 C ATOM 1281 CG LEU A 412 -13.503 -1.862 8.396 1.00 0.00 C ATOM 1282 CD1 LEU A 412 -12.676 -1.498 9.620 1.00 0.00 C ATOM 1283 CD2 LEU A 412 -14.492 -0.756 8.059 1.00 0.00 C ATOM 0 H LEU A 412 -10.512 -3.141 6.062 1.00 0.00 H new ATOM 0 HA LEU A 412 -12.662 -4.203 7.760 1.00 0.00 H new ATOM 0 HB2 LEU A 412 -11.627 -1.670 7.381 1.00 0.00 H new ATOM 0 HB3 LEU A 412 -13.021 -1.655 6.319 1.00 0.00 H new ATOM 0 HG LEU A 412 -14.065 -2.767 8.627 1.00 0.00 H new ATOM 0 HD11 LEU A 412 -13.339 -1.305 10.463 1.00 0.00 H new ATOM 0 HD12 LEU A 412 -12.007 -2.323 9.866 1.00 0.00 H new ATOM 0 HD13 LEU A 412 -12.088 -0.605 9.409 1.00 0.00 H new ATOM 0 HD21 LEU A 412 -15.135 -0.568 8.919 1.00 0.00 H new ATOM 0 HD22 LEU A 412 -13.948 0.154 7.807 1.00 0.00 H new ATOM 0 HD23 LEU A 412 -15.103 -1.061 7.209 1.00 0.00 H new ATOM 1295 N PRO A 413 -14.279 -4.845 5.965 1.00 0.00 N ATOM 1296 CA PRO A 413 -15.169 -5.369 4.923 1.00 0.00 C ATOM 1297 C PRO A 413 -15.983 -4.275 4.236 1.00 0.00 C ATOM 1298 O PRO A 413 -16.284 -3.239 4.831 1.00 0.00 O ATOM 1299 CB PRO A 413 -16.101 -6.328 5.680 1.00 0.00 C ATOM 1300 CG PRO A 413 -15.433 -6.564 6.997 1.00 0.00 C ATOM 1301 CD PRO A 413 -14.679 -5.305 7.301 1.00 0.00 C ATOM 0 HA PRO A 413 -14.603 -5.847 4.123 1.00 0.00 H new ATOM 0 HB2 PRO A 413 -17.091 -5.892 5.813 1.00 0.00 H new ATOM 0 HB3 PRO A 413 -16.234 -7.261 5.133 1.00 0.00 H new ATOM 0 HG2 PRO A 413 -16.166 -6.779 7.775 1.00 0.00 H new ATOM 0 HG3 PRO A 413 -14.761 -7.421 6.947 1.00 0.00 H new ATOM 0 HD2 PRO A 413 -15.302 -4.572 7.813 1.00 0.00 H new ATOM 0 HD3 PRO A 413 -13.817 -5.493 7.941 1.00 0.00 H new ATOM 1309 N THR A 414 -16.325 -4.522 2.977 1.00 0.00 N ATOM 1310 CA THR A 414 -17.144 -3.610 2.196 1.00 0.00 C ATOM 1311 C THR A 414 -18.572 -3.565 2.736 1.00 0.00 C ATOM 1312 O THR A 414 -19.116 -4.594 3.153 1.00 0.00 O ATOM 1313 CB THR A 414 -17.171 -4.049 0.719 1.00 0.00 C ATOM 1314 OG1 THR A 414 -15.834 -4.235 0.244 1.00 0.00 O ATOM 1315 CG2 THR A 414 -17.886 -3.031 -0.155 1.00 0.00 C ATOM 0 H THR A 414 -16.041 -5.361 2.471 1.00 0.00 H new ATOM 0 HA THR A 414 -16.706 -2.615 2.272 1.00 0.00 H new ATOM 0 HB THR A 414 -17.720 -4.989 0.660 1.00 0.00 H new ATOM 0 HG1 THR A 414 -15.856 -4.516 -0.695 1.00 0.00 H new ATOM 0 HG21 THR A 414 -17.885 -3.375 -1.189 1.00 0.00 H new ATOM 0 HG22 THR A 414 -18.914 -2.915 0.188 1.00 0.00 H new ATOM 0 HG23 THR A 414 -17.372 -2.072 -0.091 1.00 0.00 H new ATOM 1323 N SER A 415 -19.156 -2.363 2.719 1.00 0.00 N ATOM 1324 CA SER A 415 -20.522 -2.116 3.192 1.00 0.00 C ATOM 1325 C SER A 415 -20.668 -2.422 4.680 1.00 0.00 C ATOM 1326 O SER A 415 -19.713 -2.815 5.348 1.00 0.00 O ATOM 1327 CB SER A 415 -21.547 -2.926 2.375 1.00 0.00 C ATOM 1328 OG SER A 415 -21.661 -4.262 2.843 1.00 0.00 O ATOM 0 H SER A 415 -18.689 -1.525 2.373 1.00 0.00 H new ATOM 0 HA SER A 415 -20.724 -1.055 3.047 1.00 0.00 H new ATOM 0 HB2 SER A 415 -22.520 -2.438 2.428 1.00 0.00 H new ATOM 0 HB3 SER A 415 -21.251 -2.933 1.326 1.00 0.00 H new ATOM 0 HG SER A 415 -20.798 -4.716 2.749 1.00 0.00 H new