USER MOD reduce.3.24.130724 H: found=0, std=0, add=869, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 869 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: A1039 GLN : amide:sc= 0.322 K(o=0.38,f=-2) USER MOD Set 1.2: A1042 GLN : amide:sc= 0.0587 K(o=0.38,f=-1.5) USER MOD Set 2.1: A1019 GLN : amide:sc= -0.0706 K(o=1,f=0.41) USER MOD Set 2.2: A1023 CYS SG : rot 71:sc= 1.08 USER MOD Set 3.1: A1014 GLN : amide:sc= -1.05 K(o=-1.1,f=0) USER MOD Set 3.2: A1018 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 962 GLN : amide:sc= -0.34 K(o=-0.34,f=-1.4) USER MOD Set 4.2: A 992 SER OG : rot 180:sc= 0 USER MOD Set 5.1: A 930 GLN : amide:sc= 0.306 K(o=0.87,f=-1.5) USER MOD Set 5.2: A1026 ASN : amide:sc= 0.564 K(o=0.87,f=-1) USER MOD Single : A 915 GLN : amide:sc= -0.0789 K(o=-0.079,f=-0.78) USER MOD Single : A 919 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 922 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 923 GLN : amide:sc= 0.00291 X(o=0.0029,f=0) USER MOD Single : A 927 SER OG : rot 83:sc= 1.25 USER MOD Single : A 929 THR OG1 : rot 71:sc= 1.21 USER MOD Single : A 931 THR OG1 : rot 72:sc= 0.9 USER MOD Single : A 936 GLN : amide:sc= -0.016 K(o=-0.016,f=-1.2!) USER MOD Single : A 937 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 954 GLN : amide:sc= -0.79 K(o=-0.79,f=0) USER MOD Single : A 955 SER OG : rot 180:sc= 0 USER MOD Single : A 956 CYS SG : rot 4:sc= -4.51! USER MOD Single : A 957 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.17) USER MOD Single : A 968 GLN : amide:sc= -0.956 K(o=-0.96,f=-0.076) USER MOD Single : A 973 SER OG : rot -146:sc= 1.23 USER MOD Single : A 974 GLN : amide:sc= -1.48! C(o=-1.5!,f=-6.3!) USER MOD Single : A 976 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 979 SER OG : rot -160:sc= -0.63 USER MOD Single : A 981 SER OG : rot 180:sc= 0.037 USER MOD Single : A 983 GLN : amide:sc= -0.333 X(o=-0.33,f=-0.42) USER MOD Single : A 990 SER OG : rot 88:sc= 0.875 USER MOD Single : A 991 GLN : amide:sc= -0.558 X(o=-0.56,f=-0.79) USER MOD Single : A 995 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 999 LYS NZ :NH3+ -169:sc= -0.0413 (180deg=-0.199) USER MOD Single : A1000 MET CE :methyl 152:sc= -0.711 (180deg=-2.34) USER MOD Single : A1005 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1007 SER OG : rot -4:sc= 0.989 USER MOD Single : A1010 THR OG1 : rot 7:sc= 0.215 USER MOD Single : A1012 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A1016 SER OG : rot 73:sc= 1.12 USER MOD Single : A1021 SER OG : rot 180:sc= 0 USER MOD Single : A1022 GLN : amide:sc= -0.0956 X(o=-0.096,f=-0.57) USER MOD Single : A1025 LYS NZ :NH3+ 170:sc=-0.00371 (180deg=-0.103) USER MOD Single : A1029 THR OG1 : rot 80:sc= 1.21 USER MOD Single : A1036 THR OG1 : rot 73:sc= 1.2 USER MOD Single : A1040 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.049) USER MOD ----------------------------------------------------------------- ATOM 89 N LEU A 913 18.363 5.625 -2.273 1.00 0.00 N ATOM 90 CA LEU A 913 17.176 5.108 -2.945 1.00 0.00 C ATOM 91 C LEU A 913 16.413 4.133 -2.061 1.00 0.00 C ATOM 92 O LEU A 913 15.193 4.231 -1.929 1.00 0.00 O ATOM 93 CB LEU A 913 17.568 4.415 -4.252 1.00 0.00 C ATOM 94 CG LEU A 913 18.239 5.316 -5.291 1.00 0.00 C ATOM 95 CD1 LEU A 913 18.673 4.504 -6.500 1.00 0.00 C ATOM 96 CD2 LEU A 913 17.298 6.433 -5.710 1.00 0.00 C ATOM 0 HA LEU A 913 16.525 5.955 -3.160 1.00 0.00 H new ATOM 0 HB2 LEU A 913 18.242 3.591 -4.020 1.00 0.00 H new ATOM 0 HB3 LEU A 913 16.673 3.979 -4.696 1.00 0.00 H new ATOM 0 HG LEU A 913 19.126 5.762 -4.840 1.00 0.00 H new ATOM 0 HD11 LEU A 913 19.148 5.161 -7.228 1.00 0.00 H new ATOM 0 HD12 LEU A 913 19.381 3.736 -6.188 1.00 0.00 H new ATOM 0 HD13 LEU A 913 17.801 4.031 -6.953 1.00 0.00 H new ATOM 0 HD21 LEU A 913 17.790 7.065 -6.449 1.00 0.00 H new ATOM 0 HD22 LEU A 913 16.394 6.004 -6.143 1.00 0.00 H new ATOM 0 HD23 LEU A 913 17.034 7.032 -4.839 1.00 0.00 H new ATOM 108 N VAL A 914 17.132 3.209 -1.436 1.00 0.00 N ATOM 109 CA VAL A 914 16.492 2.184 -0.617 1.00 0.00 C ATOM 110 C VAL A 914 15.904 2.789 0.656 1.00 0.00 C ATOM 111 O VAL A 914 14.927 2.282 1.201 1.00 0.00 O ATOM 112 CB VAL A 914 17.465 1.041 -0.256 1.00 0.00 C ATOM 113 CG1 VAL A 914 18.084 0.465 -1.517 1.00 0.00 C ATOM 114 CG2 VAL A 914 18.543 1.505 0.709 1.00 0.00 C ATOM 0 H VAL A 914 18.149 3.147 -1.479 1.00 0.00 H new ATOM 0 HA VAL A 914 15.685 1.761 -1.215 1.00 0.00 H new ATOM 0 HB VAL A 914 16.894 0.260 0.247 1.00 0.00 H new ATOM 0 HG11 VAL A 914 18.769 -0.340 -1.251 1.00 0.00 H new ATOM 0 HG12 VAL A 914 17.298 0.074 -2.163 1.00 0.00 H new ATOM 0 HG13 VAL A 914 18.631 1.247 -2.044 1.00 0.00 H new ATOM 0 HG21 VAL A 914 19.208 0.673 0.939 1.00 0.00 H new ATOM 0 HG22 VAL A 914 19.116 2.312 0.253 1.00 0.00 H new ATOM 0 HG23 VAL A 914 18.079 1.863 1.628 1.00 0.00 H new ATOM 124 N GLN A 915 16.481 3.897 1.100 1.00 0.00 N ATOM 125 CA GLN A 915 15.991 4.591 2.283 1.00 0.00 C ATOM 126 C GLN A 915 14.676 5.292 1.971 1.00 0.00 C ATOM 127 O GLN A 915 13.774 5.347 2.809 1.00 0.00 O ATOM 128 CB GLN A 915 17.034 5.593 2.779 1.00 0.00 C ATOM 129 CG GLN A 915 18.318 4.929 3.244 1.00 0.00 C ATOM 130 CD GLN A 915 18.119 4.097 4.495 1.00 0.00 C ATOM 131 OE1 GLN A 915 17.284 4.421 5.342 1.00 0.00 O ATOM 132 NE2 GLN A 915 18.873 3.016 4.619 1.00 0.00 N ATOM 0 H GLN A 915 17.290 4.335 0.659 1.00 0.00 H new ATOM 0 HA GLN A 915 15.814 3.862 3.073 1.00 0.00 H new ATOM 0 HB2 GLN A 915 17.264 6.296 1.979 1.00 0.00 H new ATOM 0 HB3 GLN A 915 16.612 6.172 3.601 1.00 0.00 H new ATOM 0 HG2 GLN A 915 18.705 4.294 2.447 1.00 0.00 H new ATOM 0 HG3 GLN A 915 19.070 5.694 3.436 1.00 0.00 H new ATOM 0 HE21 GLN A 915 19.553 2.783 3.895 1.00 0.00 H new ATOM 0 HE22 GLN A 915 18.774 2.417 5.438 1.00 0.00 H new ATOM 141 N ARG A 916 14.570 5.815 0.756 1.00 0.00 N ATOM 142 CA ARG A 916 13.323 6.406 0.289 1.00 0.00 C ATOM 143 C ARG A 916 12.285 5.310 0.082 1.00 0.00 C ATOM 144 O ARG A 916 11.094 5.512 0.325 1.00 0.00 O ATOM 145 CB ARG A 916 13.548 7.179 -1.011 1.00 0.00 C ATOM 146 CG ARG A 916 12.302 7.881 -1.522 1.00 0.00 C ATOM 147 CD ARG A 916 12.587 8.671 -2.787 1.00 0.00 C ATOM 148 NE ARG A 916 11.391 9.334 -3.305 1.00 0.00 N ATOM 149 CZ ARG A 916 11.421 10.358 -4.158 1.00 0.00 C ATOM 150 NH1 ARG A 916 12.585 10.860 -4.559 1.00 0.00 N ATOM 151 NH2 ARG A 916 10.286 10.891 -4.600 1.00 0.00 N ATOM 0 H ARG A 916 15.331 5.842 0.077 1.00 0.00 H new ATOM 0 HA ARG A 916 12.959 7.106 1.041 1.00 0.00 H new ATOM 0 HB2 ARG A 916 14.333 7.918 -0.853 1.00 0.00 H new ATOM 0 HB3 ARG A 916 13.907 6.491 -1.776 1.00 0.00 H new ATOM 0 HG2 ARG A 916 11.523 7.144 -1.720 1.00 0.00 H new ATOM 0 HG3 ARG A 916 11.919 8.551 -0.752 1.00 0.00 H new ATOM 0 HD2 ARG A 916 13.354 9.418 -2.582 1.00 0.00 H new ATOM 0 HD3 ARG A 916 12.988 8.002 -3.548 1.00 0.00 H new ATOM 0 HE ARG A 916 10.481 8.993 -2.996 1.00 0.00 H new ATOM 0 HH11 ARG A 916 13.458 10.462 -4.214 1.00 0.00 H new ATOM 0 HH12 ARG A 916 12.605 11.644 -5.212 1.00 0.00 H new ATOM 0 HH21 ARG A 916 9.391 10.516 -4.286 1.00 0.00 H new ATOM 0 HH22 ARG A 916 10.311 11.674 -5.253 1.00 0.00 H new ATOM 165 N LEU A 917 12.755 4.149 -0.359 1.00 0.00 N ATOM 166 CA LEU A 917 11.902 2.983 -0.525 1.00 0.00 C ATOM 167 C LEU A 917 11.324 2.555 0.821 1.00 0.00 C ATOM 168 O LEU A 917 10.136 2.261 0.926 1.00 0.00 O ATOM 169 CB LEU A 917 12.688 1.834 -1.162 1.00 0.00 C ATOM 170 CG LEU A 917 11.887 0.559 -1.430 1.00 0.00 C ATOM 171 CD1 LEU A 917 10.680 0.861 -2.302 1.00 0.00 C ATOM 172 CD2 LEU A 917 12.768 -0.490 -2.088 1.00 0.00 C ATOM 0 H LEU A 917 13.731 3.992 -0.609 1.00 0.00 H new ATOM 0 HA LEU A 917 11.078 3.245 -1.188 1.00 0.00 H new ATOM 0 HB2 LEU A 917 13.109 2.183 -2.105 1.00 0.00 H new ATOM 0 HB3 LEU A 917 13.527 1.586 -0.511 1.00 0.00 H new ATOM 0 HG LEU A 917 11.533 0.167 -0.477 1.00 0.00 H new ATOM 0 HD11 LEU A 917 10.122 -0.058 -2.482 1.00 0.00 H new ATOM 0 HD12 LEU A 917 10.038 1.582 -1.797 1.00 0.00 H new ATOM 0 HD13 LEU A 917 11.013 1.276 -3.253 1.00 0.00 H new ATOM 0 HD21 LEU A 917 12.184 -1.392 -2.273 1.00 0.00 H new ATOM 0 HD22 LEU A 917 13.149 -0.104 -3.034 1.00 0.00 H new ATOM 0 HD23 LEU A 917 13.604 -0.727 -1.430 1.00 0.00 H new ATOM 184 N GLU A 918 12.171 2.538 1.850 1.00 0.00 N ATOM 185 CA GLU A 918 11.723 2.256 3.211 1.00 0.00 C ATOM 186 C GLU A 918 10.599 3.205 3.617 1.00 0.00 C ATOM 187 O GLU A 918 9.530 2.775 4.045 1.00 0.00 O ATOM 188 CB GLU A 918 12.874 2.407 4.203 1.00 0.00 C ATOM 189 CG GLU A 918 13.937 1.328 4.115 1.00 0.00 C ATOM 190 CD GLU A 918 15.001 1.499 5.180 1.00 0.00 C ATOM 191 OE1 GLU A 918 14.650 1.746 6.350 1.00 0.00 O ATOM 192 OE2 GLU A 918 16.201 1.384 4.848 1.00 0.00 O ATOM 0 H GLU A 918 13.172 2.717 1.765 1.00 0.00 H new ATOM 0 HA GLU A 918 11.359 1.229 3.229 1.00 0.00 H new ATOM 0 HB2 GLU A 918 13.347 3.376 4.044 1.00 0.00 H new ATOM 0 HB3 GLU A 918 12.465 2.413 5.214 1.00 0.00 H new ATOM 0 HG2 GLU A 918 13.471 0.349 4.221 1.00 0.00 H new ATOM 0 HG3 GLU A 918 14.402 1.355 3.129 1.00 0.00 H new ATOM 199 N HIS A 919 10.856 4.502 3.458 1.00 0.00 N ATOM 200 CA HIS A 919 9.899 5.540 3.841 1.00 0.00 C ATOM 201 C HIS A 919 8.587 5.382 3.068 1.00 0.00 C ATOM 202 O HIS A 919 7.509 5.684 3.583 1.00 0.00 O ATOM 203 CB HIS A 919 10.508 6.928 3.587 1.00 0.00 C ATOM 204 CG HIS A 919 9.668 8.070 4.080 1.00 0.00 C ATOM 205 ND1 HIS A 919 9.828 8.636 5.325 1.00 0.00 N ATOM 206 CD2 HIS A 919 8.663 8.755 3.487 1.00 0.00 C ATOM 207 CE1 HIS A 919 8.956 9.615 5.475 1.00 0.00 C ATOM 208 NE2 HIS A 919 8.236 9.708 4.375 1.00 0.00 N ATOM 0 H HIS A 919 11.725 4.862 3.064 1.00 0.00 H new ATOM 0 HA HIS A 919 9.678 5.437 4.903 1.00 0.00 H new ATOM 0 HB2 HIS A 919 11.485 6.977 4.068 1.00 0.00 H new ATOM 0 HB3 HIS A 919 10.673 7.049 2.516 1.00 0.00 H new ATOM 0 HD2 HIS A 919 8.270 8.583 2.496 1.00 0.00 H new ATOM 0 HE1 HIS A 919 8.850 10.236 6.352 1.00 0.00 H new ATOM 0 HE2 HIS A 919 7.485 10.378 4.211 1.00 0.00 H new ATOM 216 N ALA A 920 8.687 4.908 1.836 1.00 0.00 N ATOM 217 CA ALA A 920 7.514 4.688 1.007 1.00 0.00 C ATOM 218 C ALA A 920 6.771 3.430 1.445 1.00 0.00 C ATOM 219 O ALA A 920 5.547 3.428 1.547 1.00 0.00 O ATOM 220 CB ALA A 920 7.910 4.598 -0.456 1.00 0.00 C ATOM 0 H ALA A 920 9.571 4.668 1.388 1.00 0.00 H new ATOM 0 HA ALA A 920 6.841 5.537 1.130 1.00 0.00 H new ATOM 0 HB1 ALA A 920 7.021 4.433 -1.064 1.00 0.00 H new ATOM 0 HB2 ALA A 920 8.391 5.528 -0.761 1.00 0.00 H new ATOM 0 HB3 ALA A 920 8.603 3.769 -0.595 1.00 0.00 H new ATOM 226 N ALA A 921 7.519 2.368 1.721 1.00 0.00 N ATOM 227 CA ALA A 921 6.936 1.101 2.148 1.00 0.00 C ATOM 228 C ALA A 921 6.202 1.252 3.475 1.00 0.00 C ATOM 229 O ALA A 921 5.108 0.718 3.657 1.00 0.00 O ATOM 230 CB ALA A 921 8.011 0.032 2.253 1.00 0.00 C ATOM 0 H ALA A 921 8.537 2.360 1.656 1.00 0.00 H new ATOM 0 HA ALA A 921 6.209 0.794 1.396 1.00 0.00 H new ATOM 0 HB1 ALA A 921 7.560 -0.907 2.573 1.00 0.00 H new ATOM 0 HB2 ALA A 921 8.484 -0.105 1.281 1.00 0.00 H new ATOM 0 HB3 ALA A 921 8.761 0.341 2.981 1.00 0.00 H new ATOM 236 N LYS A 922 6.805 1.997 4.394 1.00 0.00 N ATOM 237 CA LYS A 922 6.212 2.232 5.703 1.00 0.00 C ATOM 238 C LYS A 922 4.892 2.989 5.579 1.00 0.00 C ATOM 239 O LYS A 922 3.897 2.623 6.207 1.00 0.00 O ATOM 240 CB LYS A 922 7.174 3.018 6.592 1.00 0.00 C ATOM 241 CG LYS A 922 8.443 2.259 6.939 1.00 0.00 C ATOM 242 CD LYS A 922 9.421 3.122 7.724 1.00 0.00 C ATOM 243 CE LYS A 922 8.839 3.568 9.055 1.00 0.00 C ATOM 244 NZ LYS A 922 9.817 4.353 9.851 1.00 0.00 N ATOM 0 H LYS A 922 7.708 2.450 4.255 1.00 0.00 H new ATOM 0 HA LYS A 922 6.015 1.261 6.158 1.00 0.00 H new ATOM 0 HB2 LYS A 922 7.443 3.947 6.089 1.00 0.00 H new ATOM 0 HB3 LYS A 922 6.661 3.292 7.514 1.00 0.00 H new ATOM 0 HG2 LYS A 922 8.189 1.374 7.523 1.00 0.00 H new ATOM 0 HG3 LYS A 922 8.920 1.910 6.023 1.00 0.00 H new ATOM 0 HD2 LYS A 922 10.340 2.563 7.899 1.00 0.00 H new ATOM 0 HD3 LYS A 922 9.688 3.998 7.133 1.00 0.00 H new ATOM 0 HE2 LYS A 922 7.948 4.170 8.878 1.00 0.00 H new ATOM 0 HE3 LYS A 922 8.525 2.694 9.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 922 9.382 4.639 10.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 922 10.657 3.770 10.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 922 10.098 5.201 9.318 1.00 0.00 H new ATOM 258 N GLN A 923 4.878 4.039 4.765 1.00 0.00 N ATOM 259 CA GLN A 923 3.679 4.854 4.613 1.00 0.00 C ATOM 260 C GLN A 923 2.631 4.113 3.790 1.00 0.00 C ATOM 261 O GLN A 923 1.432 4.301 3.993 1.00 0.00 O ATOM 262 CB GLN A 923 3.998 6.208 3.974 1.00 0.00 C ATOM 263 CG GLN A 923 4.323 6.139 2.495 1.00 0.00 C ATOM 264 CD GLN A 923 4.583 7.502 1.900 1.00 0.00 C ATOM 265 OE1 GLN A 923 3.659 8.184 1.456 1.00 0.00 O ATOM 266 NE2 GLN A 923 5.839 7.906 1.882 1.00 0.00 N ATOM 0 H GLN A 923 5.675 4.343 4.206 1.00 0.00 H new ATOM 0 HA GLN A 923 3.278 5.042 5.609 1.00 0.00 H new ATOM 0 HB2 GLN A 923 3.146 6.873 4.116 1.00 0.00 H new ATOM 0 HB3 GLN A 923 4.842 6.654 4.499 1.00 0.00 H new ATOM 0 HG2 GLN A 923 5.199 5.508 2.347 1.00 0.00 H new ATOM 0 HG3 GLN A 923 3.496 5.666 1.965 1.00 0.00 H new ATOM 0 HE21 GLN A 923 6.573 7.307 2.261 1.00 0.00 H new ATOM 0 HE22 GLN A 923 6.076 8.817 1.489 1.00 0.00 H new ATOM 275 N ALA A 924 3.083 3.274 2.863 1.00 0.00 N ATOM 276 CA ALA A 924 2.177 2.451 2.075 1.00 0.00 C ATOM 277 C ALA A 924 1.477 1.447 2.974 1.00 0.00 C ATOM 278 O ALA A 924 0.260 1.288 2.913 1.00 0.00 O ATOM 279 CB ALA A 924 2.926 1.741 0.960 1.00 0.00 C ATOM 0 H ALA A 924 4.070 3.147 2.641 1.00 0.00 H new ATOM 0 HA ALA A 924 1.427 3.096 1.617 1.00 0.00 H new ATOM 0 HB1 ALA A 924 2.229 1.132 0.384 1.00 0.00 H new ATOM 0 HB2 ALA A 924 3.389 2.479 0.305 1.00 0.00 H new ATOM 0 HB3 ALA A 924 3.698 1.102 1.389 1.00 0.00 H new ATOM 285 N ALA A 925 2.259 0.790 3.826 1.00 0.00 N ATOM 286 CA ALA A 925 1.722 -0.143 4.807 1.00 0.00 C ATOM 287 C ALA A 925 0.718 0.561 5.720 1.00 0.00 C ATOM 288 O ALA A 925 -0.360 0.034 6.007 1.00 0.00 O ATOM 289 CB ALA A 925 2.858 -0.754 5.623 1.00 0.00 C ATOM 0 H ALA A 925 3.274 0.889 3.855 1.00 0.00 H new ATOM 0 HA ALA A 925 1.200 -0.944 4.283 1.00 0.00 H new ATOM 0 HB1 ALA A 925 2.447 -1.450 6.354 1.00 0.00 H new ATOM 0 HB2 ALA A 925 3.539 -1.286 4.958 1.00 0.00 H new ATOM 0 HB3 ALA A 925 3.401 0.037 6.141 1.00 0.00 H new ATOM 295 N ALA A 926 1.077 1.765 6.154 1.00 0.00 N ATOM 296 CA ALA A 926 0.214 2.575 7.006 1.00 0.00 C ATOM 297 C ALA A 926 -1.083 2.944 6.296 1.00 0.00 C ATOM 298 O ALA A 926 -2.177 2.711 6.813 1.00 0.00 O ATOM 299 CB ALA A 926 0.944 3.838 7.434 1.00 0.00 C ATOM 0 H ALA A 926 1.969 2.204 5.927 1.00 0.00 H new ATOM 0 HA ALA A 926 -0.039 1.983 7.886 1.00 0.00 H new ATOM 0 HB1 ALA A 926 0.292 4.437 8.070 1.00 0.00 H new ATOM 0 HB2 ALA A 926 1.843 3.568 7.988 1.00 0.00 H new ATOM 0 HB3 ALA A 926 1.220 4.415 6.552 1.00 0.00 H new ATOM 305 N SER A 927 -0.950 3.511 5.106 1.00 0.00 N ATOM 306 CA SER A 927 -2.095 3.973 4.334 1.00 0.00 C ATOM 307 C SER A 927 -2.993 2.806 3.933 1.00 0.00 C ATOM 308 O SER A 927 -4.216 2.947 3.840 1.00 0.00 O ATOM 309 CB SER A 927 -1.605 4.722 3.099 1.00 0.00 C ATOM 310 OG SER A 927 -0.750 5.795 3.463 1.00 0.00 O ATOM 0 H SER A 927 -0.050 3.663 4.650 1.00 0.00 H new ATOM 0 HA SER A 927 -2.687 4.647 4.953 1.00 0.00 H new ATOM 0 HB2 SER A 927 -1.073 4.036 2.440 1.00 0.00 H new ATOM 0 HB3 SER A 927 -2.458 5.105 2.539 1.00 0.00 H new ATOM 0 HG SER A 927 0.157 5.455 3.610 1.00 0.00 H new ATOM 316 N ALA A 928 -2.387 1.648 3.702 1.00 0.00 N ATOM 317 CA ALA A 928 -3.139 0.441 3.409 1.00 0.00 C ATOM 318 C ALA A 928 -3.975 0.039 4.609 1.00 0.00 C ATOM 319 O ALA A 928 -5.130 -0.351 4.467 1.00 0.00 O ATOM 320 CB ALA A 928 -2.206 -0.688 3.015 1.00 0.00 C ATOM 0 H ALA A 928 -1.375 1.522 3.713 1.00 0.00 H new ATOM 0 HA ALA A 928 -3.805 0.645 2.570 1.00 0.00 H new ATOM 0 HB1 ALA A 928 -2.789 -1.583 2.800 1.00 0.00 H new ATOM 0 HB2 ALA A 928 -1.641 -0.401 2.128 1.00 0.00 H new ATOM 0 HB3 ALA A 928 -1.516 -0.893 3.834 1.00 0.00 H new ATOM 326 N THR A 929 -3.384 0.159 5.793 1.00 0.00 N ATOM 327 CA THR A 929 -4.086 -0.138 7.031 1.00 0.00 C ATOM 328 C THR A 929 -5.310 0.768 7.176 1.00 0.00 C ATOM 329 O THR A 929 -6.396 0.309 7.537 1.00 0.00 O ATOM 330 CB THR A 929 -3.157 0.040 8.251 1.00 0.00 C ATOM 331 OG1 THR A 929 -1.955 -0.729 8.070 1.00 0.00 O ATOM 332 CG2 THR A 929 -3.849 -0.401 9.535 1.00 0.00 C ATOM 0 H THR A 929 -2.418 0.461 5.919 1.00 0.00 H new ATOM 0 HA THR A 929 -4.410 -1.178 6.993 1.00 0.00 H new ATOM 0 HB THR A 929 -2.909 1.098 8.334 1.00 0.00 H new ATOM 0 HG1 THR A 929 -1.408 -0.320 7.367 1.00 0.00 H new ATOM 0 HG21 THR A 929 -3.172 -0.265 10.378 1.00 0.00 H new ATOM 0 HG22 THR A 929 -4.746 0.199 9.689 1.00 0.00 H new ATOM 0 HG23 THR A 929 -4.125 -1.453 9.457 1.00 0.00 H new ATOM 340 N GLN A 930 -5.126 2.052 6.854 1.00 0.00 N ATOM 341 CA GLN A 930 -6.219 3.021 6.873 1.00 0.00 C ATOM 342 C GLN A 930 -7.330 2.585 5.924 1.00 0.00 C ATOM 343 O GLN A 930 -8.513 2.607 6.272 1.00 0.00 O ATOM 344 CB GLN A 930 -5.724 4.407 6.446 1.00 0.00 C ATOM 345 CG GLN A 930 -4.516 4.911 7.218 1.00 0.00 C ATOM 346 CD GLN A 930 -4.027 6.256 6.706 1.00 0.00 C ATOM 347 OE1 GLN A 930 -4.195 6.586 5.532 1.00 0.00 O ATOM 348 NE2 GLN A 930 -3.404 7.031 7.578 1.00 0.00 N ATOM 0 H GLN A 930 -4.226 2.443 6.576 1.00 0.00 H new ATOM 0 HA GLN A 930 -6.601 3.071 7.893 1.00 0.00 H new ATOM 0 HB2 GLN A 930 -5.475 4.379 5.385 1.00 0.00 H new ATOM 0 HB3 GLN A 930 -6.538 5.122 6.564 1.00 0.00 H new ATOM 0 HG2 GLN A 930 -4.772 4.998 8.274 1.00 0.00 H new ATOM 0 HG3 GLN A 930 -3.710 4.181 7.144 1.00 0.00 H new ATOM 0 HE21 GLN A 930 -3.285 6.721 8.542 1.00 0.00 H new ATOM 0 HE22 GLN A 930 -3.042 7.939 7.286 1.00 0.00 H new ATOM 357 N THR A 931 -6.930 2.178 4.727 1.00 0.00 N ATOM 358 CA THR A 931 -7.873 1.795 3.690 1.00 0.00 C ATOM 359 C THR A 931 -8.594 0.496 4.048 1.00 0.00 C ATOM 360 O THR A 931 -9.790 0.364 3.810 1.00 0.00 O ATOM 361 CB THR A 931 -7.165 1.645 2.329 1.00 0.00 C ATOM 362 OG1 THR A 931 -6.360 2.803 2.072 1.00 0.00 O ATOM 363 CG2 THR A 931 -8.177 1.476 1.203 1.00 0.00 C ATOM 0 H THR A 931 -5.951 2.105 4.451 1.00 0.00 H new ATOM 0 HA THR A 931 -8.614 2.591 3.614 1.00 0.00 H new ATOM 0 HB THR A 931 -6.536 0.756 2.369 1.00 0.00 H new ATOM 0 HG1 THR A 931 -5.580 2.797 2.665 1.00 0.00 H new ATOM 0 HG21 THR A 931 -7.651 1.372 0.254 1.00 0.00 H new ATOM 0 HG22 THR A 931 -8.778 0.585 1.384 1.00 0.00 H new ATOM 0 HG23 THR A 931 -8.827 2.350 1.164 1.00 0.00 H new ATOM 371 N ILE A 932 -7.869 -0.457 4.628 1.00 0.00 N ATOM 372 CA ILE A 932 -8.475 -1.713 5.058 1.00 0.00 C ATOM 373 C ILE A 932 -9.491 -1.459 6.167 1.00 0.00 C ATOM 374 O ILE A 932 -10.596 -2.001 6.139 1.00 0.00 O ATOM 375 CB ILE A 932 -7.415 -2.731 5.542 1.00 0.00 C ATOM 376 CG1 ILE A 932 -6.496 -3.133 4.382 1.00 0.00 C ATOM 377 CG2 ILE A 932 -8.081 -3.964 6.140 1.00 0.00 C ATOM 378 CD1 ILE A 932 -5.427 -4.132 4.768 1.00 0.00 C ATOM 0 H ILE A 932 -6.868 -0.384 4.810 1.00 0.00 H new ATOM 0 HA ILE A 932 -8.979 -2.142 4.192 1.00 0.00 H new ATOM 0 HB ILE A 932 -6.815 -2.257 6.319 1.00 0.00 H new ATOM 0 HG12 ILE A 932 -7.102 -3.555 3.580 1.00 0.00 H new ATOM 0 HG13 ILE A 932 -6.017 -2.239 3.983 1.00 0.00 H new ATOM 0 HG21 ILE A 932 -7.316 -4.665 6.473 1.00 0.00 H new ATOM 0 HG22 ILE A 932 -8.697 -3.669 6.989 1.00 0.00 H new ATOM 0 HG23 ILE A 932 -8.707 -4.441 5.386 1.00 0.00 H new ATOM 0 HD11 ILE A 932 -4.817 -4.367 3.896 1.00 0.00 H new ATOM 0 HD12 ILE A 932 -4.796 -3.706 5.548 1.00 0.00 H new ATOM 0 HD13 ILE A 932 -5.897 -5.043 5.139 1.00 0.00 H new ATOM 390 N ALA A 933 -9.124 -0.610 7.122 1.00 0.00 N ATOM 391 CA ALA A 933 -10.022 -0.248 8.212 1.00 0.00 C ATOM 392 C ALA A 933 -11.292 0.397 7.668 1.00 0.00 C ATOM 393 O ALA A 933 -12.387 0.198 8.201 1.00 0.00 O ATOM 394 CB ALA A 933 -9.325 0.692 9.184 1.00 0.00 C ATOM 0 H ALA A 933 -8.210 -0.160 7.163 1.00 0.00 H new ATOM 0 HA ALA A 933 -10.299 -1.157 8.746 1.00 0.00 H new ATOM 0 HB1 ALA A 933 -10.009 0.953 9.992 1.00 0.00 H new ATOM 0 HB2 ALA A 933 -8.445 0.200 9.598 1.00 0.00 H new ATOM 0 HB3 ALA A 933 -9.021 1.598 8.659 1.00 0.00 H new ATOM 400 N ALA A 934 -11.141 1.165 6.599 1.00 0.00 N ATOM 401 CA ALA A 934 -12.275 1.785 5.935 1.00 0.00 C ATOM 402 C ALA A 934 -13.070 0.747 5.150 1.00 0.00 C ATOM 403 O ALA A 934 -14.296 0.727 5.199 1.00 0.00 O ATOM 404 CB ALA A 934 -11.809 2.907 5.019 1.00 0.00 C ATOM 0 H ALA A 934 -10.238 1.374 6.172 1.00 0.00 H new ATOM 0 HA ALA A 934 -12.928 2.212 6.697 1.00 0.00 H new ATOM 0 HB1 ALA A 934 -12.672 3.360 4.530 1.00 0.00 H new ATOM 0 HB2 ALA A 934 -11.287 3.663 5.606 1.00 0.00 H new ATOM 0 HB3 ALA A 934 -11.134 2.504 4.264 1.00 0.00 H new ATOM 410 N ALA A 935 -12.356 -0.124 4.446 1.00 0.00 N ATOM 411 CA ALA A 935 -12.976 -1.165 3.633 1.00 0.00 C ATOM 412 C ALA A 935 -13.860 -2.075 4.478 1.00 0.00 C ATOM 413 O ALA A 935 -14.990 -2.372 4.103 1.00 0.00 O ATOM 414 CB ALA A 935 -11.911 -1.984 2.918 1.00 0.00 C ATOM 0 H ALA A 935 -11.336 -0.129 4.422 1.00 0.00 H new ATOM 0 HA ALA A 935 -13.607 -0.677 2.890 1.00 0.00 H new ATOM 0 HB1 ALA A 935 -12.389 -2.756 2.316 1.00 0.00 H new ATOM 0 HB2 ALA A 935 -11.323 -1.332 2.272 1.00 0.00 H new ATOM 0 HB3 ALA A 935 -11.256 -2.451 3.654 1.00 0.00 H new ATOM 420 N GLN A 936 -13.343 -2.495 5.626 1.00 0.00 N ATOM 421 CA GLN A 936 -14.075 -3.388 6.523 1.00 0.00 C ATOM 422 C GLN A 936 -15.342 -2.721 7.055 1.00 0.00 C ATOM 423 O GLN A 936 -16.320 -3.393 7.385 1.00 0.00 O ATOM 424 CB GLN A 936 -13.194 -3.796 7.703 1.00 0.00 C ATOM 425 CG GLN A 936 -11.943 -4.560 7.312 1.00 0.00 C ATOM 426 CD GLN A 936 -10.979 -4.712 8.473 1.00 0.00 C ATOM 427 OE1 GLN A 936 -10.930 -3.864 9.365 1.00 0.00 O ATOM 428 NE2 GLN A 936 -10.211 -5.787 8.474 1.00 0.00 N ATOM 0 H GLN A 936 -12.416 -2.232 5.961 1.00 0.00 H new ATOM 0 HA GLN A 936 -14.355 -4.271 5.949 1.00 0.00 H new ATOM 0 HB2 GLN A 936 -12.902 -2.900 8.251 1.00 0.00 H new ATOM 0 HB3 GLN A 936 -13.782 -4.409 8.386 1.00 0.00 H new ATOM 0 HG2 GLN A 936 -12.222 -5.547 6.942 1.00 0.00 H new ATOM 0 HG3 GLN A 936 -11.444 -4.042 6.493 1.00 0.00 H new ATOM 0 HE21 GLN A 936 -10.283 -6.466 7.716 1.00 0.00 H new ATOM 0 HE22 GLN A 936 -9.546 -5.938 9.233 1.00 0.00 H new ATOM 437 N HIS A 937 -15.316 -1.402 7.136 1.00 0.00 N ATOM 438 CA HIS A 937 -16.412 -0.647 7.727 1.00 0.00 C ATOM 439 C HIS A 937 -17.426 -0.248 6.660 1.00 0.00 C ATOM 440 O HIS A 937 -18.633 -0.387 6.850 1.00 0.00 O ATOM 441 CB HIS A 937 -15.865 0.605 8.415 1.00 0.00 C ATOM 442 CG HIS A 937 -16.661 1.056 9.602 1.00 0.00 C ATOM 443 ND1 HIS A 937 -17.846 1.749 9.506 1.00 0.00 N ATOM 444 CD2 HIS A 937 -16.413 0.924 10.925 1.00 0.00 C ATOM 445 CE1 HIS A 937 -18.290 2.026 10.716 1.00 0.00 C ATOM 446 NE2 HIS A 937 -17.439 1.538 11.598 1.00 0.00 N ATOM 0 H HIS A 937 -14.544 -0.827 6.798 1.00 0.00 H new ATOM 0 HA HIS A 937 -16.912 -1.277 8.463 1.00 0.00 H new ATOM 0 HB2 HIS A 937 -14.840 0.412 8.732 1.00 0.00 H new ATOM 0 HB3 HIS A 937 -15.827 1.417 7.689 1.00 0.00 H new ATOM 0 HD2 HIS A 937 -15.564 0.427 11.370 1.00 0.00 H new ATOM 0 HE1 HIS A 937 -19.198 2.563 10.947 1.00 0.00 H new ATOM 0 HE2 HIS A 937 -17.529 1.606 12.612 1.00 0.00 H new ATOM 614 N LEU A 951 -15.505 -6.934 -3.595 1.00 0.00 N ATOM 615 CA LEU A 951 -14.456 -6.063 -4.151 1.00 0.00 C ATOM 616 C LEU A 951 -13.412 -5.682 -3.100 1.00 0.00 C ATOM 617 O LEU A 951 -12.352 -6.304 -3.023 1.00 0.00 O ATOM 618 CB LEU A 951 -15.047 -4.797 -4.793 1.00 0.00 C ATOM 619 CG LEU A 951 -15.510 -4.942 -6.248 1.00 0.00 C ATOM 620 CD1 LEU A 951 -14.363 -5.403 -7.134 1.00 0.00 C ATOM 621 CD2 LEU A 951 -16.684 -5.902 -6.355 1.00 0.00 C ATOM 0 HA LEU A 951 -13.958 -6.641 -4.929 1.00 0.00 H new ATOM 0 HB2 LEU A 951 -15.895 -4.470 -4.192 1.00 0.00 H new ATOM 0 HB3 LEU A 951 -14.299 -4.005 -4.746 1.00 0.00 H new ATOM 0 HG LEU A 951 -15.841 -3.962 -6.593 1.00 0.00 H new ATOM 0 HD11 LEU A 951 -14.713 -5.499 -8.162 1.00 0.00 H new ATOM 0 HD12 LEU A 951 -13.555 -4.672 -7.093 1.00 0.00 H new ATOM 0 HD13 LEU A 951 -13.997 -6.368 -6.783 1.00 0.00 H new ATOM 0 HD21 LEU A 951 -16.992 -5.986 -7.397 1.00 0.00 H new ATOM 0 HD22 LEU A 951 -16.387 -6.883 -5.984 1.00 0.00 H new ATOM 0 HD23 LEU A 951 -17.517 -5.526 -5.760 1.00 0.00 H new ATOM 633 N LEU A 952 -13.723 -4.677 -2.288 1.00 0.00 N ATOM 634 CA LEU A 952 -12.802 -4.187 -1.261 1.00 0.00 C ATOM 635 C LEU A 952 -12.373 -5.303 -0.325 1.00 0.00 C ATOM 636 O LEU A 952 -11.198 -5.428 0.010 1.00 0.00 O ATOM 637 CB LEU A 952 -13.447 -3.067 -0.448 1.00 0.00 C ATOM 638 CG LEU A 952 -13.424 -1.690 -1.102 1.00 0.00 C ATOM 639 CD1 LEU A 952 -14.161 -0.685 -0.234 1.00 0.00 C ATOM 640 CD2 LEU A 952 -11.989 -1.246 -1.330 1.00 0.00 C ATOM 0 H LEU A 952 -14.613 -4.180 -2.320 1.00 0.00 H new ATOM 0 HA LEU A 952 -11.921 -3.802 -1.774 1.00 0.00 H new ATOM 0 HB2 LEU A 952 -14.483 -3.338 -0.246 1.00 0.00 H new ATOM 0 HB3 LEU A 952 -12.941 -3.002 0.515 1.00 0.00 H new ATOM 0 HG LEU A 952 -13.928 -1.748 -2.067 1.00 0.00 H new ATOM 0 HD11 LEU A 952 -14.138 0.294 -0.712 1.00 0.00 H new ATOM 0 HD12 LEU A 952 -15.196 -1.003 -0.108 1.00 0.00 H new ATOM 0 HD13 LEU A 952 -13.679 -0.624 0.742 1.00 0.00 H new ATOM 0 HD21 LEU A 952 -11.983 -0.261 -1.798 1.00 0.00 H new ATOM 0 HD22 LEU A 952 -11.467 -1.197 -0.374 1.00 0.00 H new ATOM 0 HD23 LEU A 952 -11.486 -1.960 -1.982 1.00 0.00 H new ATOM 652 N VAL A 953 -13.333 -6.118 0.085 1.00 0.00 N ATOM 653 CA VAL A 953 -13.069 -7.217 1.003 1.00 0.00 C ATOM 654 C VAL A 953 -12.120 -8.238 0.371 1.00 0.00 C ATOM 655 O VAL A 953 -11.343 -8.891 1.064 1.00 0.00 O ATOM 656 CB VAL A 953 -14.384 -7.904 1.435 1.00 0.00 C ATOM 657 CG1 VAL A 953 -14.119 -9.085 2.353 1.00 0.00 C ATOM 658 CG2 VAL A 953 -15.304 -6.901 2.113 1.00 0.00 C ATOM 0 H VAL A 953 -14.308 -6.039 -0.205 1.00 0.00 H new ATOM 0 HA VAL A 953 -12.590 -6.802 1.890 1.00 0.00 H new ATOM 0 HB VAL A 953 -14.873 -8.284 0.538 1.00 0.00 H new ATOM 0 HG11 VAL A 953 -15.066 -9.544 2.637 1.00 0.00 H new ATOM 0 HG12 VAL A 953 -13.501 -9.818 1.834 1.00 0.00 H new ATOM 0 HG13 VAL A 953 -13.600 -8.741 3.247 1.00 0.00 H new ATOM 0 HG21 VAL A 953 -16.227 -7.398 2.412 1.00 0.00 H new ATOM 0 HG22 VAL A 953 -14.810 -6.492 2.994 1.00 0.00 H new ATOM 0 HG23 VAL A 953 -15.536 -6.093 1.419 1.00 0.00 H new ATOM 668 N GLN A 954 -12.162 -8.344 -0.949 1.00 0.00 N ATOM 669 CA GLN A 954 -11.260 -9.229 -1.667 1.00 0.00 C ATOM 670 C GLN A 954 -9.849 -8.655 -1.650 1.00 0.00 C ATOM 671 O GLN A 954 -8.884 -9.330 -1.285 1.00 0.00 O ATOM 672 CB GLN A 954 -11.713 -9.397 -3.116 1.00 0.00 C ATOM 673 CG GLN A 954 -13.137 -9.897 -3.268 1.00 0.00 C ATOM 674 CD GLN A 954 -13.598 -9.882 -4.712 1.00 0.00 C ATOM 675 OE1 GLN A 954 -14.785 -9.721 -4.995 1.00 0.00 O ATOM 676 NE2 GLN A 954 -12.664 -10.037 -5.637 1.00 0.00 N ATOM 0 H GLN A 954 -12.811 -7.828 -1.543 1.00 0.00 H new ATOM 0 HA GLN A 954 -11.270 -10.201 -1.175 1.00 0.00 H new ATOM 0 HB2 GLN A 954 -11.620 -8.439 -3.628 1.00 0.00 H new ATOM 0 HB3 GLN A 954 -11.040 -10.093 -3.617 1.00 0.00 H new ATOM 0 HG2 GLN A 954 -13.208 -10.912 -2.876 1.00 0.00 H new ATOM 0 HG3 GLN A 954 -13.804 -9.277 -2.669 1.00 0.00 H new ATOM 0 HE21 GLN A 954 -11.691 -10.168 -5.362 1.00 0.00 H new ATOM 0 HE22 GLN A 954 -12.918 -10.025 -6.625 1.00 0.00 H new ATOM 685 N SER A 955 -9.747 -7.395 -2.047 1.00 0.00 N ATOM 686 CA SER A 955 -8.466 -6.719 -2.148 1.00 0.00 C ATOM 687 C SER A 955 -7.771 -6.623 -0.789 1.00 0.00 C ATOM 688 O SER A 955 -6.574 -6.894 -0.684 1.00 0.00 O ATOM 689 CB SER A 955 -8.672 -5.328 -2.738 1.00 0.00 C ATOM 690 OG SER A 955 -9.426 -5.395 -3.937 1.00 0.00 O ATOM 0 H SER A 955 -10.546 -6.817 -2.306 1.00 0.00 H new ATOM 0 HA SER A 955 -7.820 -7.303 -2.803 1.00 0.00 H new ATOM 0 HB2 SER A 955 -9.186 -4.694 -2.015 1.00 0.00 H new ATOM 0 HB3 SER A 955 -7.705 -4.866 -2.937 1.00 0.00 H new ATOM 0 HG SER A 955 -9.548 -4.492 -4.298 1.00 0.00 H new ATOM 696 N CYS A 956 -8.524 -6.268 0.250 1.00 0.00 N ATOM 697 CA CYS A 956 -7.947 -6.081 1.579 1.00 0.00 C ATOM 698 C CYS A 956 -7.363 -7.382 2.125 1.00 0.00 C ATOM 699 O CYS A 956 -6.441 -7.356 2.936 1.00 0.00 O ATOM 700 CB CYS A 956 -8.980 -5.499 2.553 1.00 0.00 C ATOM 701 SG CYS A 956 -10.506 -6.445 2.691 1.00 0.00 S ATOM 0 H CYS A 956 -9.530 -6.105 0.198 1.00 0.00 H new ATOM 0 HA CYS A 956 -7.130 -5.366 1.481 1.00 0.00 H new ATOM 0 HB2 CYS A 956 -8.525 -5.424 3.541 1.00 0.00 H new ATOM 0 HB3 CYS A 956 -9.225 -4.485 2.237 1.00 0.00 H new ATOM 0 HG CYS A 956 -10.409 -7.531 1.983 1.00 0.00 H new ATOM 707 N LYS A 957 -7.889 -8.519 1.668 1.00 0.00 N ATOM 708 CA LYS A 957 -7.335 -9.814 2.052 1.00 0.00 C ATOM 709 C LYS A 957 -5.906 -9.952 1.544 1.00 0.00 C ATOM 710 O LYS A 957 -5.000 -10.305 2.299 1.00 0.00 O ATOM 711 CB LYS A 957 -8.179 -10.968 1.504 1.00 0.00 C ATOM 712 CG LYS A 957 -9.530 -11.134 2.178 1.00 0.00 C ATOM 713 CD LYS A 957 -9.394 -11.317 3.681 1.00 0.00 C ATOM 714 CE LYS A 957 -10.689 -11.827 4.297 1.00 0.00 C ATOM 715 NZ LYS A 957 -11.862 -11.009 3.895 1.00 0.00 N ATOM 0 H LYS A 957 -8.690 -8.568 1.038 1.00 0.00 H new ATOM 0 HA LYS A 957 -7.344 -9.863 3.141 1.00 0.00 H new ATOM 0 HB2 LYS A 957 -8.336 -10.812 0.437 1.00 0.00 H new ATOM 0 HB3 LYS A 957 -7.617 -11.896 1.611 1.00 0.00 H new ATOM 0 HG2 LYS A 957 -10.148 -10.260 1.973 1.00 0.00 H new ATOM 0 HG3 LYS A 957 -10.045 -11.995 1.752 1.00 0.00 H new ATOM 0 HD2 LYS A 957 -8.587 -12.019 3.892 1.00 0.00 H new ATOM 0 HD3 LYS A 957 -9.119 -10.368 4.141 1.00 0.00 H new ATOM 0 HE2 LYS A 957 -10.850 -12.862 3.996 1.00 0.00 H new ATOM 0 HE3 LYS A 957 -10.599 -11.821 5.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 957 -12.679 -11.259 4.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 957 -11.641 -10.000 4.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 957 -12.089 -11.194 2.897 1.00 0.00 H new ATOM 729 N ALA A 958 -5.712 -9.659 0.264 1.00 0.00 N ATOM 730 CA ALA A 958 -4.400 -9.779 -0.357 1.00 0.00 C ATOM 731 C ALA A 958 -3.450 -8.707 0.166 1.00 0.00 C ATOM 732 O ALA A 958 -2.263 -8.959 0.376 1.00 0.00 O ATOM 733 CB ALA A 958 -4.520 -9.695 -1.871 1.00 0.00 C ATOM 0 H ALA A 958 -6.448 -9.336 -0.364 1.00 0.00 H new ATOM 0 HA ALA A 958 -3.987 -10.753 -0.095 1.00 0.00 H new ATOM 0 HB1 ALA A 958 -3.531 -9.786 -2.320 1.00 0.00 H new ATOM 0 HB2 ALA A 958 -5.158 -10.502 -2.231 1.00 0.00 H new ATOM 0 HB3 ALA A 958 -4.957 -8.736 -2.149 1.00 0.00 H new ATOM 739 N VAL A 959 -3.981 -7.509 0.382 1.00 0.00 N ATOM 740 CA VAL A 959 -3.190 -6.407 0.914 1.00 0.00 C ATOM 741 C VAL A 959 -2.683 -6.736 2.318 1.00 0.00 C ATOM 742 O VAL A 959 -1.530 -6.462 2.650 1.00 0.00 O ATOM 743 CB VAL A 959 -4.002 -5.091 0.941 1.00 0.00 C ATOM 744 CG1 VAL A 959 -3.215 -3.973 1.607 1.00 0.00 C ATOM 745 CG2 VAL A 959 -4.398 -4.683 -0.468 1.00 0.00 C ATOM 0 H VAL A 959 -4.957 -7.277 0.197 1.00 0.00 H new ATOM 0 HA VAL A 959 -2.336 -6.267 0.252 1.00 0.00 H new ATOM 0 HB VAL A 959 -4.905 -5.267 1.526 1.00 0.00 H new ATOM 0 HG11 VAL A 959 -3.811 -3.061 1.611 1.00 0.00 H new ATOM 0 HG12 VAL A 959 -2.978 -4.256 2.633 1.00 0.00 H new ATOM 0 HG13 VAL A 959 -2.291 -3.800 1.055 1.00 0.00 H new ATOM 0 HG21 VAL A 959 -4.969 -3.755 -0.431 1.00 0.00 H new ATOM 0 HG22 VAL A 959 -3.501 -4.534 -1.069 1.00 0.00 H new ATOM 0 HG23 VAL A 959 -5.009 -5.467 -0.916 1.00 0.00 H new ATOM 755 N ALA A 960 -3.539 -7.365 3.122 1.00 0.00 N ATOM 756 CA ALA A 960 -3.186 -7.736 4.491 1.00 0.00 C ATOM 757 C ALA A 960 -2.061 -8.770 4.522 1.00 0.00 C ATOM 758 O ALA A 960 -1.463 -9.015 5.568 1.00 0.00 O ATOM 759 CB ALA A 960 -4.406 -8.267 5.228 1.00 0.00 C ATOM 0 H ALA A 960 -4.485 -7.629 2.847 1.00 0.00 H new ATOM 0 HA ALA A 960 -2.828 -6.837 4.994 1.00 0.00 H new ATOM 0 HB1 ALA A 960 -4.126 -8.539 6.246 1.00 0.00 H new ATOM 0 HB2 ALA A 960 -5.177 -7.497 5.257 1.00 0.00 H new ATOM 0 HB3 ALA A 960 -4.790 -9.146 4.710 1.00 0.00 H new ATOM 765 N GLU A 961 -1.785 -9.379 3.377 1.00 0.00 N ATOM 766 CA GLU A 961 -0.688 -10.328 3.265 1.00 0.00 C ATOM 767 C GLU A 961 0.602 -9.601 2.895 1.00 0.00 C ATOM 768 O GLU A 961 1.688 -9.966 3.343 1.00 0.00 O ATOM 769 CB GLU A 961 -1.007 -11.384 2.206 1.00 0.00 C ATOM 770 CG GLU A 961 -2.327 -12.100 2.439 1.00 0.00 C ATOM 771 CD GLU A 961 -2.603 -13.158 1.394 1.00 0.00 C ATOM 772 OE1 GLU A 961 -3.200 -12.823 0.349 1.00 0.00 O ATOM 773 OE2 GLU A 961 -2.228 -14.330 1.610 1.00 0.00 O ATOM 0 H GLU A 961 -2.306 -9.232 2.513 1.00 0.00 H new ATOM 0 HA GLU A 961 -0.556 -10.820 4.229 1.00 0.00 H new ATOM 0 HB2 GLU A 961 -1.030 -10.908 1.226 1.00 0.00 H new ATOM 0 HB3 GLU A 961 -0.203 -12.120 2.185 1.00 0.00 H new ATOM 0 HG2 GLU A 961 -2.317 -12.562 3.426 1.00 0.00 H new ATOM 0 HG3 GLU A 961 -3.138 -11.371 2.437 1.00 0.00 H new ATOM 780 N GLN A 962 0.464 -8.548 2.099 1.00 0.00 N ATOM 781 CA GLN A 962 1.614 -7.825 1.567 1.00 0.00 C ATOM 782 C GLN A 962 2.121 -6.756 2.536 1.00 0.00 C ATOM 783 O GLN A 962 3.301 -6.409 2.515 1.00 0.00 O ATOM 784 CB GLN A 962 1.250 -7.197 0.221 1.00 0.00 C ATOM 785 CG GLN A 962 0.970 -8.220 -0.865 1.00 0.00 C ATOM 786 CD GLN A 962 2.183 -9.070 -1.188 1.00 0.00 C ATOM 787 OE1 GLN A 962 3.321 -8.613 -1.092 1.00 0.00 O ATOM 788 NE2 GLN A 962 1.951 -10.312 -1.573 1.00 0.00 N ATOM 0 H GLN A 962 -0.438 -8.173 1.806 1.00 0.00 H new ATOM 0 HA GLN A 962 2.424 -8.541 1.429 1.00 0.00 H new ATOM 0 HB2 GLN A 962 0.372 -6.564 0.349 1.00 0.00 H new ATOM 0 HB3 GLN A 962 2.065 -6.549 -0.102 1.00 0.00 H new ATOM 0 HG2 GLN A 962 0.151 -8.866 -0.549 1.00 0.00 H new ATOM 0 HG3 GLN A 962 0.640 -7.706 -1.768 1.00 0.00 H new ATOM 0 HE21 GLN A 962 0.993 -10.654 -1.640 1.00 0.00 H new ATOM 0 HE22 GLN A 962 2.730 -10.929 -1.803 1.00 0.00 H new ATOM 797 N ILE A 963 1.233 -6.237 3.381 1.00 0.00 N ATOM 798 CA ILE A 963 1.623 -5.248 4.389 1.00 0.00 C ATOM 799 C ILE A 963 2.761 -5.771 5.283 1.00 0.00 C ATOM 800 O ILE A 963 3.794 -5.113 5.413 1.00 0.00 O ATOM 801 CB ILE A 963 0.428 -4.812 5.275 1.00 0.00 C ATOM 802 CG1 ILE A 963 -0.629 -4.096 4.435 1.00 0.00 C ATOM 803 CG2 ILE A 963 0.903 -3.912 6.410 1.00 0.00 C ATOM 804 CD1 ILE A 963 -1.870 -3.713 5.216 1.00 0.00 C ATOM 0 H ILE A 963 0.243 -6.482 3.390 1.00 0.00 H new ATOM 0 HA ILE A 963 1.976 -4.377 3.837 1.00 0.00 H new ATOM 0 HB ILE A 963 -0.021 -5.706 5.708 1.00 0.00 H new ATOM 0 HG12 ILE A 963 -0.190 -3.196 4.004 1.00 0.00 H new ATOM 0 HG13 ILE A 963 -0.917 -4.740 3.604 1.00 0.00 H new ATOM 0 HG21 ILE A 963 0.050 -3.616 7.021 1.00 0.00 H new ATOM 0 HG22 ILE A 963 1.621 -4.452 7.027 1.00 0.00 H new ATOM 0 HG23 ILE A 963 1.378 -3.023 5.995 1.00 0.00 H new ATOM 0 HD11 ILE A 963 -2.575 -3.209 4.555 1.00 0.00 H new ATOM 0 HD12 ILE A 963 -2.334 -4.611 5.625 1.00 0.00 H new ATOM 0 HD13 ILE A 963 -1.595 -3.043 6.031 1.00 0.00 H new ATOM 816 N PRO A 964 2.599 -6.958 5.913 1.00 0.00 N ATOM 817 CA PRO A 964 3.657 -7.549 6.741 1.00 0.00 C ATOM 818 C PRO A 964 4.933 -7.808 5.946 1.00 0.00 C ATOM 819 O PRO A 964 6.032 -7.739 6.492 1.00 0.00 O ATOM 820 CB PRO A 964 3.056 -8.872 7.224 1.00 0.00 C ATOM 821 CG PRO A 964 1.587 -8.700 7.084 1.00 0.00 C ATOM 822 CD PRO A 964 1.393 -7.805 5.896 1.00 0.00 C ATOM 0 HA PRO A 964 3.949 -6.883 7.553 1.00 0.00 H new ATOM 0 HB2 PRO A 964 3.414 -9.710 6.626 1.00 0.00 H new ATOM 0 HB3 PRO A 964 3.333 -9.077 8.258 1.00 0.00 H new ATOM 0 HG2 PRO A 964 1.093 -9.660 6.935 1.00 0.00 H new ATOM 0 HG3 PRO A 964 1.158 -8.256 7.982 1.00 0.00 H new ATOM 0 HD2 PRO A 964 1.314 -8.375 4.971 1.00 0.00 H new ATOM 0 HD3 PRO A 964 0.483 -7.212 5.983 1.00 0.00 H new ATOM 830 N LEU A 965 4.779 -8.101 4.658 1.00 0.00 N ATOM 831 CA LEU A 965 5.924 -8.335 3.784 1.00 0.00 C ATOM 832 C LEU A 965 6.705 -7.048 3.563 1.00 0.00 C ATOM 833 O LEU A 965 7.936 -7.053 3.581 1.00 0.00 O ATOM 834 CB LEU A 965 5.474 -8.927 2.448 1.00 0.00 C ATOM 835 CG LEU A 965 4.933 -10.354 2.532 1.00 0.00 C ATOM 836 CD1 LEU A 965 4.506 -10.848 1.158 1.00 0.00 C ATOM 837 CD2 LEU A 965 5.983 -11.278 3.131 1.00 0.00 C ATOM 0 H LEU A 965 3.873 -8.182 4.197 1.00 0.00 H new ATOM 0 HA LEU A 965 6.581 -9.054 4.272 1.00 0.00 H new ATOM 0 HB2 LEU A 965 4.703 -8.285 2.023 1.00 0.00 H new ATOM 0 HB3 LEU A 965 6.317 -8.913 1.757 1.00 0.00 H new ATOM 0 HG LEU A 965 4.057 -10.356 3.180 1.00 0.00 H new ATOM 0 HD11 LEU A 965 4.124 -11.866 1.240 1.00 0.00 H new ATOM 0 HD12 LEU A 965 3.725 -10.198 0.764 1.00 0.00 H new ATOM 0 HD13 LEU A 965 5.363 -10.835 0.484 1.00 0.00 H new ATOM 0 HD21 LEU A 965 5.587 -12.292 3.186 1.00 0.00 H new ATOM 0 HD22 LEU A 965 6.875 -11.270 2.504 1.00 0.00 H new ATOM 0 HD23 LEU A 965 6.241 -10.934 4.133 1.00 0.00 H new ATOM 849 N LEU A 966 5.984 -5.946 3.364 1.00 0.00 N ATOM 850 CA LEU A 966 6.610 -4.632 3.271 1.00 0.00 C ATOM 851 C LEU A 966 7.462 -4.370 4.494 1.00 0.00 C ATOM 852 O LEU A 966 8.670 -4.177 4.395 1.00 0.00 O ATOM 853 CB LEU A 966 5.566 -3.521 3.174 1.00 0.00 C ATOM 854 CG LEU A 966 4.851 -3.381 1.837 1.00 0.00 C ATOM 855 CD1 LEU A 966 3.846 -2.247 1.917 1.00 0.00 C ATOM 856 CD2 LEU A 966 5.855 -3.134 0.722 1.00 0.00 C ATOM 0 H LEU A 966 4.969 -5.938 3.265 1.00 0.00 H new ATOM 0 HA LEU A 966 7.223 -4.631 2.370 1.00 0.00 H new ATOM 0 HB2 LEU A 966 4.816 -3.688 3.947 1.00 0.00 H new ATOM 0 HB3 LEU A 966 6.053 -2.573 3.402 1.00 0.00 H new ATOM 0 HG LEU A 966 4.322 -4.307 1.613 1.00 0.00 H new ATOM 0 HD11 LEU A 966 3.334 -2.146 0.960 1.00 0.00 H new ATOM 0 HD12 LEU A 966 3.117 -2.462 2.698 1.00 0.00 H new ATOM 0 HD13 LEU A 966 4.365 -1.317 2.150 1.00 0.00 H new ATOM 0 HD21 LEU A 966 5.328 -3.036 -0.227 1.00 0.00 H new ATOM 0 HD22 LEU A 966 6.407 -2.217 0.926 1.00 0.00 H new ATOM 0 HD23 LEU A 966 6.550 -3.972 0.666 1.00 0.00 H new ATOM 868 N VAL A 967 6.817 -4.386 5.650 1.00 0.00 N ATOM 869 CA VAL A 967 7.474 -4.071 6.908 1.00 0.00 C ATOM 870 C VAL A 967 8.596 -5.063 7.211 1.00 0.00 C ATOM 871 O VAL A 967 9.612 -4.696 7.800 1.00 0.00 O ATOM 872 CB VAL A 967 6.453 -4.035 8.062 1.00 0.00 C ATOM 873 CG1 VAL A 967 7.119 -3.647 9.373 1.00 0.00 C ATOM 874 CG2 VAL A 967 5.326 -3.068 7.725 1.00 0.00 C ATOM 0 H VAL A 967 5.828 -4.617 5.742 1.00 0.00 H new ATOM 0 HA VAL A 967 7.920 -3.081 6.812 1.00 0.00 H new ATOM 0 HB VAL A 967 6.037 -5.035 8.187 1.00 0.00 H new ATOM 0 HG11 VAL A 967 6.374 -3.630 10.168 1.00 0.00 H new ATOM 0 HG12 VAL A 967 7.894 -4.374 9.617 1.00 0.00 H new ATOM 0 HG13 VAL A 967 7.567 -2.658 9.275 1.00 0.00 H new ATOM 0 HG21 VAL A 967 4.607 -3.047 8.544 1.00 0.00 H new ATOM 0 HG22 VAL A 967 5.736 -2.069 7.576 1.00 0.00 H new ATOM 0 HG23 VAL A 967 4.827 -3.395 6.813 1.00 0.00 H new ATOM 884 N GLN A 968 8.422 -6.311 6.788 1.00 0.00 N ATOM 885 CA GLN A 968 9.477 -7.312 6.913 1.00 0.00 C ATOM 886 C GLN A 968 10.698 -6.877 6.111 1.00 0.00 C ATOM 887 O GLN A 968 11.833 -6.972 6.580 1.00 0.00 O ATOM 888 CB GLN A 968 8.985 -8.679 6.427 1.00 0.00 C ATOM 889 CG GLN A 968 10.011 -9.792 6.579 1.00 0.00 C ATOM 890 CD GLN A 968 10.419 -10.029 8.023 1.00 0.00 C ATOM 891 OE1 GLN A 968 11.553 -10.410 8.304 1.00 0.00 O ATOM 892 NE2 GLN A 968 9.491 -9.826 8.947 1.00 0.00 N ATOM 0 H GLN A 968 7.563 -6.653 6.357 1.00 0.00 H new ATOM 0 HA GLN A 968 9.752 -7.401 7.964 1.00 0.00 H new ATOM 0 HB2 GLN A 968 8.086 -8.949 6.981 1.00 0.00 H new ATOM 0 HB3 GLN A 968 8.701 -8.600 5.378 1.00 0.00 H new ATOM 0 HG2 GLN A 968 9.602 -10.714 6.166 1.00 0.00 H new ATOM 0 HG3 GLN A 968 10.896 -9.545 5.993 1.00 0.00 H new ATOM 0 HE21 GLN A 968 8.561 -9.509 8.674 1.00 0.00 H new ATOM 0 HE22 GLN A 968 9.707 -9.986 9.931 1.00 0.00 H new ATOM 901 N GLY A 969 10.450 -6.389 4.900 1.00 0.00 N ATOM 902 CA GLY A 969 11.517 -5.862 4.074 1.00 0.00 C ATOM 903 C GLY A 969 12.116 -4.598 4.661 1.00 0.00 C ATOM 904 O GLY A 969 13.336 -4.435 4.680 1.00 0.00 O ATOM 0 H GLY A 969 9.523 -6.350 4.475 1.00 0.00 H new ATOM 0 HA2 GLY A 969 12.297 -6.616 3.964 1.00 0.00 H new ATOM 0 HA3 GLY A 969 11.133 -5.652 3.076 1.00 0.00 H new ATOM 908 N VAL A 970 11.251 -3.706 5.147 1.00 0.00 N ATOM 909 CA VAL A 970 11.695 -2.465 5.777 1.00 0.00 C ATOM 910 C VAL A 970 12.614 -2.773 6.956 1.00 0.00 C ATOM 911 O VAL A 970 13.724 -2.252 7.046 1.00 0.00 O ATOM 912 CB VAL A 970 10.506 -1.605 6.279 1.00 0.00 C ATOM 913 CG1 VAL A 970 10.999 -0.269 6.813 1.00 0.00 C ATOM 914 CG2 VAL A 970 9.478 -1.382 5.179 1.00 0.00 C ATOM 0 H VAL A 970 10.238 -3.822 5.115 1.00 0.00 H new ATOM 0 HA VAL A 970 12.231 -1.897 5.017 1.00 0.00 H new ATOM 0 HB VAL A 970 10.023 -2.152 7.088 1.00 0.00 H new ATOM 0 HG11 VAL A 970 10.150 0.320 7.160 1.00 0.00 H new ATOM 0 HG12 VAL A 970 11.686 -0.440 7.642 1.00 0.00 H new ATOM 0 HG13 VAL A 970 11.515 0.272 6.020 1.00 0.00 H new ATOM 0 HG21 VAL A 970 8.658 -0.776 5.565 1.00 0.00 H new ATOM 0 HG22 VAL A 970 9.948 -0.867 4.341 1.00 0.00 H new ATOM 0 HG23 VAL A 970 9.091 -2.344 4.842 1.00 0.00 H new ATOM 924 N ARG A 971 12.154 -3.650 7.845 1.00 0.00 N ATOM 925 CA ARG A 971 12.940 -4.048 9.006 1.00 0.00 C ATOM 926 C ARG A 971 14.183 -4.817 8.576 1.00 0.00 C ATOM 927 O ARG A 971 15.189 -4.822 9.278 1.00 0.00 O ATOM 928 CB ARG A 971 12.108 -4.897 9.967 1.00 0.00 C ATOM 929 CG ARG A 971 10.947 -4.144 10.597 1.00 0.00 C ATOM 930 CD ARG A 971 10.243 -4.993 11.639 1.00 0.00 C ATOM 931 NE ARG A 971 11.141 -5.360 12.735 1.00 0.00 N ATOM 932 CZ ARG A 971 10.939 -6.390 13.554 1.00 0.00 C ATOM 933 NH1 ARG A 971 9.886 -7.180 13.395 1.00 0.00 N ATOM 934 NH2 ARG A 971 11.798 -6.635 14.537 1.00 0.00 N ATOM 0 H ARG A 971 11.240 -4.098 7.782 1.00 0.00 H new ATOM 0 HA ARG A 971 13.249 -3.141 9.525 1.00 0.00 H new ATOM 0 HB2 ARG A 971 11.720 -5.763 9.430 1.00 0.00 H new ATOM 0 HB3 ARG A 971 12.756 -5.276 10.757 1.00 0.00 H new ATOM 0 HG2 ARG A 971 11.313 -3.227 11.058 1.00 0.00 H new ATOM 0 HG3 ARG A 971 10.238 -3.851 9.823 1.00 0.00 H new ATOM 0 HD2 ARG A 971 9.388 -4.446 12.037 1.00 0.00 H new ATOM 0 HD3 ARG A 971 9.853 -5.896 11.170 1.00 0.00 H new ATOM 0 HE ARG A 971 11.975 -4.790 12.881 1.00 0.00 H new ATOM 0 HH11 ARG A 971 9.223 -7.001 12.641 1.00 0.00 H new ATOM 0 HH12 ARG A 971 9.739 -7.967 14.027 1.00 0.00 H new ATOM 0 HH21 ARG A 971 12.612 -6.034 14.664 1.00 0.00 H new ATOM 0 HH22 ARG A 971 11.643 -7.424 15.165 1.00 0.00 H new ATOM 948 N GLY A 972 14.103 -5.459 7.416 1.00 0.00 N ATOM 949 CA GLY A 972 15.260 -6.129 6.855 1.00 0.00 C ATOM 950 C GLY A 972 16.370 -5.150 6.540 1.00 0.00 C ATOM 951 O GLY A 972 17.539 -5.416 6.815 1.00 0.00 O ATOM 0 H GLY A 972 13.255 -5.527 6.853 1.00 0.00 H new ATOM 0 HA2 GLY A 972 15.624 -6.879 7.558 1.00 0.00 H new ATOM 0 HA3 GLY A 972 14.971 -6.657 5.946 1.00 0.00 H new ATOM 955 N SER A 973 16.000 -4.005 5.982 1.00 0.00 N ATOM 956 CA SER A 973 16.958 -2.945 5.690 1.00 0.00 C ATOM 957 C SER A 973 17.414 -2.283 6.991 1.00 0.00 C ATOM 958 O SER A 973 18.484 -1.678 7.061 1.00 0.00 O ATOM 959 CB SER A 973 16.325 -1.911 4.750 1.00 0.00 C ATOM 960 OG SER A 973 17.264 -0.927 4.349 1.00 0.00 O ATOM 0 H SER A 973 15.039 -3.785 5.721 1.00 0.00 H new ATOM 0 HA SER A 973 17.829 -3.374 5.195 1.00 0.00 H new ATOM 0 HB2 SER A 973 15.926 -2.415 3.869 1.00 0.00 H new ATOM 0 HB3 SER A 973 15.484 -1.430 5.250 1.00 0.00 H new ATOM 0 HG SER A 973 16.810 -0.064 4.247 1.00 0.00 H new ATOM 966 N GLN A 974 16.599 -2.420 8.029 1.00 0.00 N ATOM 967 CA GLN A 974 16.937 -1.901 9.347 1.00 0.00 C ATOM 968 C GLN A 974 17.769 -2.913 10.126 1.00 0.00 C ATOM 969 O GLN A 974 18.187 -2.654 11.256 1.00 0.00 O ATOM 970 CB GLN A 974 15.666 -1.565 10.132 1.00 0.00 C ATOM 971 CG GLN A 974 14.865 -0.412 9.549 1.00 0.00 C ATOM 972 CD GLN A 974 15.580 0.921 9.658 1.00 0.00 C ATOM 973 OE1 GLN A 974 16.806 0.997 9.626 1.00 0.00 O ATOM 974 NE2 GLN A 974 14.818 1.988 9.797 1.00 0.00 N ATOM 0 H GLN A 974 15.694 -2.889 7.982 1.00 0.00 H new ATOM 0 HA GLN A 974 17.523 -0.992 9.212 1.00 0.00 H new ATOM 0 HB2 GLN A 974 15.032 -2.451 10.173 1.00 0.00 H new ATOM 0 HB3 GLN A 974 15.939 -1.321 11.159 1.00 0.00 H new ATOM 0 HG2 GLN A 974 14.651 -0.619 8.500 1.00 0.00 H new ATOM 0 HG3 GLN A 974 13.906 -0.347 10.063 1.00 0.00 H new ATOM 0 HE21 GLN A 974 13.803 1.890 9.820 1.00 0.00 H new ATOM 0 HE22 GLN A 974 15.244 2.911 9.882 1.00 0.00 H new ATOM 983 N ALA A 975 17.994 -4.068 9.521 1.00 0.00 N ATOM 984 CA ALA A 975 18.762 -5.128 10.152 1.00 0.00 C ATOM 985 C ALA A 975 20.039 -5.402 9.372 1.00 0.00 C ATOM 986 O ALA A 975 21.098 -5.643 9.950 1.00 0.00 O ATOM 987 CB ALA A 975 17.924 -6.393 10.256 1.00 0.00 C ATOM 0 H ALA A 975 17.653 -4.296 8.587 1.00 0.00 H new ATOM 0 HA ALA A 975 19.036 -4.805 11.156 1.00 0.00 H new ATOM 0 HB1 ALA A 975 18.510 -7.180 10.730 1.00 0.00 H new ATOM 0 HB2 ALA A 975 17.035 -6.192 10.854 1.00 0.00 H new ATOM 0 HB3 ALA A 975 17.625 -6.715 9.258 1.00 0.00 H new ATOM 993 N GLN A 976 19.929 -5.372 8.052 1.00 0.00 N ATOM 994 CA GLN A 976 21.064 -5.621 7.177 1.00 0.00 C ATOM 995 C GLN A 976 21.086 -4.609 6.030 1.00 0.00 C ATOM 996 O GLN A 976 20.869 -4.971 4.877 1.00 0.00 O ATOM 997 CB GLN A 976 20.980 -7.040 6.609 1.00 0.00 C ATOM 998 CG GLN A 976 20.936 -8.130 7.669 1.00 0.00 C ATOM 999 CD GLN A 976 20.706 -9.504 7.076 1.00 0.00 C ATOM 1000 OE1 GLN A 976 21.654 -10.206 6.722 1.00 0.00 O ATOM 1001 NE2 GLN A 976 19.448 -9.895 6.965 1.00 0.00 N ATOM 0 H GLN A 976 19.057 -5.176 7.561 1.00 0.00 H new ATOM 0 HA GLN A 976 21.981 -5.516 7.757 1.00 0.00 H new ATOM 0 HB2 GLN A 976 20.090 -7.118 5.985 1.00 0.00 H new ATOM 0 HB3 GLN A 976 21.839 -7.212 5.961 1.00 0.00 H new ATOM 0 HG2 GLN A 976 21.873 -8.130 8.225 1.00 0.00 H new ATOM 0 HG3 GLN A 976 20.142 -7.908 8.382 1.00 0.00 H new ATOM 0 HE21 GLN A 976 18.694 -9.280 7.271 1.00 0.00 H new ATOM 0 HE22 GLN A 976 19.231 -10.811 6.573 1.00 0.00 H new ATOM 1010 N PRO A 977 21.354 -3.325 6.331 1.00 0.00 N ATOM 1011 CA PRO A 977 21.291 -2.248 5.331 1.00 0.00 C ATOM 1012 C PRO A 977 22.329 -2.401 4.221 1.00 0.00 C ATOM 1013 O PRO A 977 22.083 -2.041 3.068 1.00 0.00 O ATOM 1014 CB PRO A 977 21.561 -0.977 6.143 1.00 0.00 C ATOM 1015 CG PRO A 977 22.260 -1.439 7.376 1.00 0.00 C ATOM 1016 CD PRO A 977 21.736 -2.818 7.662 1.00 0.00 C ATOM 0 HA PRO A 977 20.331 -2.245 4.815 1.00 0.00 H new ATOM 0 HB2 PRO A 977 22.177 -0.275 5.581 1.00 0.00 H new ATOM 0 HB3 PRO A 977 20.632 -0.461 6.387 1.00 0.00 H new ATOM 0 HG2 PRO A 977 23.340 -1.456 7.228 1.00 0.00 H new ATOM 0 HG3 PRO A 977 22.063 -0.766 8.211 1.00 0.00 H new ATOM 0 HD2 PRO A 977 22.495 -3.447 8.128 1.00 0.00 H new ATOM 0 HD3 PRO A 977 20.884 -2.791 8.341 1.00 0.00 H new ATOM 1024 N ASP A 978 23.486 -2.947 4.567 1.00 0.00 N ATOM 1025 CA ASP A 978 24.571 -3.100 3.608 1.00 0.00 C ATOM 1026 C ASP A 978 24.386 -4.367 2.787 1.00 0.00 C ATOM 1027 O ASP A 978 24.984 -4.523 1.721 1.00 0.00 O ATOM 1028 CB ASP A 978 25.926 -3.143 4.320 1.00 0.00 C ATOM 1029 CG ASP A 978 26.150 -4.441 5.070 1.00 0.00 C ATOM 1030 OD1 ASP A 978 25.421 -4.703 6.052 1.00 0.00 O ATOM 1031 OD2 ASP A 978 27.046 -5.214 4.669 1.00 0.00 O ATOM 0 H ASP A 978 23.698 -3.291 5.504 1.00 0.00 H new ATOM 0 HA ASP A 978 24.550 -2.237 2.942 1.00 0.00 H new ATOM 0 HB2 ASP A 978 26.722 -3.009 3.587 1.00 0.00 H new ATOM 0 HB3 ASP A 978 25.992 -2.308 5.018 1.00 0.00 H new ATOM 1036 N SER A 979 23.554 -5.266 3.285 1.00 0.00 N ATOM 1037 CA SER A 979 23.314 -6.534 2.639 1.00 0.00 C ATOM 1038 C SER A 979 22.287 -6.386 1.519 1.00 0.00 C ATOM 1039 O SER A 979 21.177 -5.907 1.747 1.00 0.00 O ATOM 1040 CB SER A 979 22.822 -7.531 3.678 1.00 0.00 C ATOM 1041 OG SER A 979 23.730 -7.616 4.765 1.00 0.00 O ATOM 0 H SER A 979 23.028 -5.132 4.149 1.00 0.00 H new ATOM 0 HA SER A 979 24.243 -6.893 2.195 1.00 0.00 H new ATOM 0 HB2 SER A 979 21.840 -7.229 4.042 1.00 0.00 H new ATOM 0 HB3 SER A 979 22.704 -8.513 3.219 1.00 0.00 H new ATOM 0 HG SER A 979 23.583 -8.455 5.250 1.00 0.00 H new ATOM 1047 N PRO A 980 22.649 -6.807 0.293 1.00 0.00 N ATOM 1048 CA PRO A 980 21.758 -6.736 -0.872 1.00 0.00 C ATOM 1049 C PRO A 980 20.459 -7.510 -0.657 1.00 0.00 C ATOM 1050 O PRO A 980 19.461 -7.265 -1.336 1.00 0.00 O ATOM 1051 CB PRO A 980 22.578 -7.371 -2.005 1.00 0.00 C ATOM 1052 CG PRO A 980 23.672 -8.123 -1.326 1.00 0.00 C ATOM 1053 CD PRO A 980 23.958 -7.379 -0.057 1.00 0.00 C ATOM 0 HA PRO A 980 21.451 -5.711 -1.080 1.00 0.00 H new ATOM 0 HB2 PRO A 980 21.962 -8.035 -2.612 1.00 0.00 H new ATOM 0 HB3 PRO A 980 22.980 -6.610 -2.674 1.00 0.00 H new ATOM 0 HG2 PRO A 980 23.369 -9.149 -1.117 1.00 0.00 H new ATOM 0 HG3 PRO A 980 24.560 -8.175 -1.957 1.00 0.00 H new ATOM 0 HD2 PRO A 980 24.331 -8.042 0.724 1.00 0.00 H new ATOM 0 HD3 PRO A 980 24.711 -6.604 -0.204 1.00 0.00 H new ATOM 1061 N SER A 981 20.483 -8.436 0.297 1.00 0.00 N ATOM 1062 CA SER A 981 19.314 -9.234 0.641 1.00 0.00 C ATOM 1063 C SER A 981 18.149 -8.335 1.053 1.00 0.00 C ATOM 1064 O SER A 981 17.013 -8.537 0.622 1.00 0.00 O ATOM 1065 CB SER A 981 19.669 -10.178 1.789 1.00 0.00 C ATOM 1066 OG SER A 981 20.968 -10.720 1.612 1.00 0.00 O ATOM 0 H SER A 981 21.311 -8.653 0.851 1.00 0.00 H new ATOM 0 HA SER A 981 19.011 -9.811 -0.233 1.00 0.00 H new ATOM 0 HB2 SER A 981 19.620 -9.641 2.736 1.00 0.00 H new ATOM 0 HB3 SER A 981 18.938 -10.984 1.842 1.00 0.00 H new ATOM 0 HG SER A 981 21.177 -11.320 2.358 1.00 0.00 H new ATOM 1072 N ALA A 982 18.451 -7.328 1.868 1.00 0.00 N ATOM 1073 CA ALA A 982 17.440 -6.402 2.353 1.00 0.00 C ATOM 1074 C ALA A 982 16.837 -5.616 1.199 1.00 0.00 C ATOM 1075 O ALA A 982 15.623 -5.416 1.132 1.00 0.00 O ATOM 1076 CB ALA A 982 18.044 -5.457 3.376 1.00 0.00 C ATOM 0 H ALA A 982 19.394 -7.135 2.206 1.00 0.00 H new ATOM 0 HA ALA A 982 16.645 -6.975 2.830 1.00 0.00 H new ATOM 0 HB1 ALA A 982 17.278 -4.768 3.732 1.00 0.00 H new ATOM 0 HB2 ALA A 982 18.434 -6.031 4.216 1.00 0.00 H new ATOM 0 HB3 ALA A 982 18.854 -4.892 2.915 1.00 0.00 H new ATOM 1082 N GLN A 983 17.697 -5.189 0.286 1.00 0.00 N ATOM 1083 CA GLN A 983 17.263 -4.471 -0.900 1.00 0.00 C ATOM 1084 C GLN A 983 16.344 -5.339 -1.747 1.00 0.00 C ATOM 1085 O GLN A 983 15.243 -4.923 -2.100 1.00 0.00 O ATOM 1086 CB GLN A 983 18.463 -4.013 -1.735 1.00 0.00 C ATOM 1087 CG GLN A 983 19.153 -2.767 -1.202 1.00 0.00 C ATOM 1088 CD GLN A 983 19.829 -2.972 0.142 1.00 0.00 C ATOM 1089 OE1 GLN A 983 19.226 -2.779 1.194 1.00 0.00 O ATOM 1090 NE2 GLN A 983 21.095 -3.354 0.111 1.00 0.00 N ATOM 0 H GLN A 983 18.706 -5.329 0.346 1.00 0.00 H new ATOM 0 HA GLN A 983 16.713 -3.589 -0.572 1.00 0.00 H new ATOM 0 HB2 GLN A 983 19.189 -4.825 -1.783 1.00 0.00 H new ATOM 0 HB3 GLN A 983 18.130 -3.822 -2.755 1.00 0.00 H new ATOM 0 HG2 GLN A 983 19.897 -2.436 -1.927 1.00 0.00 H new ATOM 0 HG3 GLN A 983 18.419 -1.966 -1.111 1.00 0.00 H new ATOM 0 HE21 GLN A 983 21.561 -3.504 -0.784 1.00 0.00 H new ATOM 0 HE22 GLN A 983 21.606 -3.499 0.982 1.00 0.00 H new ATOM 1099 N LEU A 984 16.792 -6.554 -2.048 1.00 0.00 N ATOM 1100 CA LEU A 984 16.015 -7.482 -2.863 1.00 0.00 C ATOM 1101 C LEU A 984 14.656 -7.759 -2.232 1.00 0.00 C ATOM 1102 O LEU A 984 13.641 -7.832 -2.928 1.00 0.00 O ATOM 1103 CB LEU A 984 16.782 -8.792 -3.061 1.00 0.00 C ATOM 1104 CG LEU A 984 18.100 -8.665 -3.828 1.00 0.00 C ATOM 1105 CD1 LEU A 984 18.788 -10.017 -3.932 1.00 0.00 C ATOM 1106 CD2 LEU A 984 17.859 -8.079 -5.212 1.00 0.00 C ATOM 0 H LEU A 984 17.692 -6.920 -1.738 1.00 0.00 H new ATOM 0 HA LEU A 984 15.852 -7.019 -3.836 1.00 0.00 H new ATOM 0 HB2 LEU A 984 16.990 -9.224 -2.082 1.00 0.00 H new ATOM 0 HB3 LEU A 984 16.138 -9.495 -3.590 1.00 0.00 H new ATOM 0 HG LEU A 984 18.754 -7.988 -3.279 1.00 0.00 H new ATOM 0 HD11 LEU A 984 19.724 -9.908 -4.480 1.00 0.00 H new ATOM 0 HD12 LEU A 984 18.996 -10.397 -2.932 1.00 0.00 H new ATOM 0 HD13 LEU A 984 18.138 -10.716 -4.458 1.00 0.00 H new ATOM 0 HD21 LEU A 984 18.808 -7.996 -5.742 1.00 0.00 H new ATOM 0 HD22 LEU A 984 17.187 -8.730 -5.771 1.00 0.00 H new ATOM 0 HD23 LEU A 984 17.410 -7.091 -5.115 1.00 0.00 H new ATOM 1118 N ALA A 985 14.641 -7.903 -0.912 1.00 0.00 N ATOM 1119 CA ALA A 985 13.400 -8.114 -0.177 1.00 0.00 C ATOM 1120 C ALA A 985 12.475 -6.909 -0.320 1.00 0.00 C ATOM 1121 O ALA A 985 11.303 -7.056 -0.664 1.00 0.00 O ATOM 1122 CB ALA A 985 13.693 -8.390 1.290 1.00 0.00 C ATOM 0 H ALA A 985 15.477 -7.877 -0.328 1.00 0.00 H new ATOM 0 HA ALA A 985 12.895 -8.983 -0.600 1.00 0.00 H new ATOM 0 HB1 ALA A 985 12.756 -8.545 1.825 1.00 0.00 H new ATOM 0 HB2 ALA A 985 14.312 -9.283 1.376 1.00 0.00 H new ATOM 0 HB3 ALA A 985 14.221 -7.540 1.722 1.00 0.00 H new ATOM 1128 N LEU A 986 13.017 -5.720 -0.066 1.00 0.00 N ATOM 1129 CA LEU A 986 12.252 -4.481 -0.175 1.00 0.00 C ATOM 1130 C LEU A 986 11.687 -4.295 -1.578 1.00 0.00 C ATOM 1131 O LEU A 986 10.485 -4.093 -1.744 1.00 0.00 O ATOM 1132 CB LEU A 986 13.121 -3.277 0.192 1.00 0.00 C ATOM 1133 CG LEU A 986 13.002 -2.803 1.640 1.00 0.00 C ATOM 1134 CD1 LEU A 986 13.997 -1.687 1.913 1.00 0.00 C ATOM 1135 CD2 LEU A 986 11.581 -2.331 1.921 1.00 0.00 C ATOM 0 H LEU A 986 13.988 -5.589 0.218 1.00 0.00 H new ATOM 0 HA LEU A 986 11.419 -4.551 0.525 1.00 0.00 H new ATOM 0 HB2 LEU A 986 14.163 -3.528 -0.006 1.00 0.00 H new ATOM 0 HB3 LEU A 986 12.862 -2.448 -0.467 1.00 0.00 H new ATOM 0 HG LEU A 986 13.230 -3.637 2.303 1.00 0.00 H new ATOM 0 HD11 LEU A 986 13.901 -1.359 2.948 1.00 0.00 H new ATOM 0 HD12 LEU A 986 15.009 -2.052 1.740 1.00 0.00 H new ATOM 0 HD13 LEU A 986 13.795 -0.848 1.247 1.00 0.00 H new ATOM 0 HD21 LEU A 986 11.507 -1.995 2.955 1.00 0.00 H new ATOM 0 HD22 LEU A 986 11.333 -1.506 1.253 1.00 0.00 H new ATOM 0 HD23 LEU A 986 10.885 -3.153 1.756 1.00 0.00 H new ATOM 1147 N ILE A 987 12.554 -4.376 -2.580 1.00 0.00 N ATOM 1148 CA ILE A 987 12.154 -4.164 -3.968 1.00 0.00 C ATOM 1149 C ILE A 987 11.034 -5.122 -4.365 1.00 0.00 C ATOM 1150 O ILE A 987 10.026 -4.709 -4.946 1.00 0.00 O ATOM 1151 CB ILE A 987 13.348 -4.344 -4.930 1.00 0.00 C ATOM 1152 CG1 ILE A 987 14.474 -3.373 -4.566 1.00 0.00 C ATOM 1153 CG2 ILE A 987 12.908 -4.129 -6.372 1.00 0.00 C ATOM 1154 CD1 ILE A 987 15.781 -3.661 -5.273 1.00 0.00 C ATOM 0 H ILE A 987 13.544 -4.588 -2.457 1.00 0.00 H new ATOM 0 HA ILE A 987 11.792 -3.139 -4.046 1.00 0.00 H new ATOM 0 HB ILE A 987 13.721 -5.363 -4.832 1.00 0.00 H new ATOM 0 HG12 ILE A 987 14.158 -2.358 -4.806 1.00 0.00 H new ATOM 0 HG13 ILE A 987 14.638 -3.409 -3.489 1.00 0.00 H new ATOM 0 HG21 ILE A 987 13.762 -4.260 -7.036 1.00 0.00 H new ATOM 0 HG22 ILE A 987 12.135 -4.853 -6.628 1.00 0.00 H new ATOM 0 HG23 ILE A 987 12.512 -3.120 -6.485 1.00 0.00 H new ATOM 0 HD11 ILE A 987 16.530 -2.932 -4.964 1.00 0.00 H new ATOM 0 HD12 ILE A 987 16.122 -4.663 -5.014 1.00 0.00 H new ATOM 0 HD13 ILE A 987 15.634 -3.596 -6.351 1.00 0.00 H new ATOM 1166 N ALA A 988 11.209 -6.395 -4.031 1.00 0.00 N ATOM 1167 CA ALA A 988 10.222 -7.412 -4.357 1.00 0.00 C ATOM 1168 C ALA A 988 8.906 -7.151 -3.636 1.00 0.00 C ATOM 1169 O ALA A 988 7.849 -7.100 -4.262 1.00 0.00 O ATOM 1170 CB ALA A 988 10.749 -8.796 -4.010 1.00 0.00 C ATOM 0 H ALA A 988 12.027 -6.746 -3.534 1.00 0.00 H new ATOM 0 HA ALA A 988 10.035 -7.367 -5.430 1.00 0.00 H new ATOM 0 HB1 ALA A 988 9.998 -9.545 -4.260 1.00 0.00 H new ATOM 0 HB2 ALA A 988 11.659 -8.991 -4.577 1.00 0.00 H new ATOM 0 HB3 ALA A 988 10.968 -8.845 -2.943 1.00 0.00 H new ATOM 1176 N ALA A 989 8.983 -6.961 -2.320 1.00 0.00 N ATOM 1177 CA ALA A 989 7.794 -6.748 -1.499 1.00 0.00 C ATOM 1178 C ALA A 989 7.024 -5.512 -1.947 1.00 0.00 C ATOM 1179 O ALA A 989 5.798 -5.534 -2.029 1.00 0.00 O ATOM 1180 CB ALA A 989 8.175 -6.630 -0.031 1.00 0.00 C ATOM 0 H ALA A 989 9.860 -6.950 -1.799 1.00 0.00 H new ATOM 0 HA ALA A 989 7.143 -7.613 -1.626 1.00 0.00 H new ATOM 0 HB1 ALA A 989 7.277 -6.472 0.566 1.00 0.00 H new ATOM 0 HB2 ALA A 989 8.668 -7.547 0.292 1.00 0.00 H new ATOM 0 HB3 ALA A 989 8.853 -5.787 0.102 1.00 0.00 H new ATOM 1186 N SER A 990 7.748 -4.442 -2.250 1.00 0.00 N ATOM 1187 CA SER A 990 7.130 -3.193 -2.672 1.00 0.00 C ATOM 1188 C SER A 990 6.336 -3.378 -3.964 1.00 0.00 C ATOM 1189 O SER A 990 5.172 -2.987 -4.047 1.00 0.00 O ATOM 1190 CB SER A 990 8.196 -2.115 -2.855 1.00 0.00 C ATOM 1191 OG SER A 990 8.937 -1.930 -1.662 1.00 0.00 O ATOM 0 H SER A 990 8.767 -4.415 -2.211 1.00 0.00 H new ATOM 0 HA SER A 990 6.435 -2.878 -1.893 1.00 0.00 H new ATOM 0 HB2 SER A 990 8.868 -2.396 -3.666 1.00 0.00 H new ATOM 0 HB3 SER A 990 7.724 -1.176 -3.144 1.00 0.00 H new ATOM 0 HG SER A 990 9.691 -2.556 -1.645 1.00 0.00 H new ATOM 1197 N GLN A 991 6.961 -3.997 -4.961 1.00 0.00 N ATOM 1198 CA GLN A 991 6.297 -4.231 -6.238 1.00 0.00 C ATOM 1199 C GLN A 991 5.161 -5.232 -6.078 1.00 0.00 C ATOM 1200 O GLN A 991 4.118 -5.119 -6.726 1.00 0.00 O ATOM 1201 CB GLN A 991 7.292 -4.731 -7.285 1.00 0.00 C ATOM 1202 CG GLN A 991 8.378 -3.723 -7.622 1.00 0.00 C ATOM 1203 CD GLN A 991 9.290 -4.208 -8.730 1.00 0.00 C ATOM 1204 OE1 GLN A 991 8.871 -4.955 -9.615 1.00 0.00 O ATOM 1205 NE2 GLN A 991 10.544 -3.787 -8.691 1.00 0.00 N ATOM 0 H GLN A 991 7.919 -4.343 -4.910 1.00 0.00 H new ATOM 0 HA GLN A 991 5.882 -3.282 -6.579 1.00 0.00 H new ATOM 0 HB2 GLN A 991 7.758 -5.647 -6.923 1.00 0.00 H new ATOM 0 HB3 GLN A 991 6.750 -4.987 -8.196 1.00 0.00 H new ATOM 0 HG2 GLN A 991 7.917 -2.782 -7.920 1.00 0.00 H new ATOM 0 HG3 GLN A 991 8.970 -3.519 -6.730 1.00 0.00 H new ATOM 0 HE21 GLN A 991 10.851 -3.169 -7.940 1.00 0.00 H new ATOM 0 HE22 GLN A 991 11.203 -4.081 -9.412 1.00 0.00 H new ATOM 1214 N SER A 992 5.370 -6.202 -5.201 1.00 0.00 N ATOM 1215 CA SER A 992 4.362 -7.207 -4.912 1.00 0.00 C ATOM 1216 C SER A 992 3.153 -6.570 -4.231 1.00 0.00 C ATOM 1217 O SER A 992 2.017 -6.960 -4.482 1.00 0.00 O ATOM 1218 CB SER A 992 4.958 -8.308 -4.028 1.00 0.00 C ATOM 1219 OG SER A 992 4.027 -9.352 -3.806 1.00 0.00 O ATOM 0 H SER A 992 6.236 -6.313 -4.674 1.00 0.00 H new ATOM 0 HA SER A 992 4.031 -7.652 -5.850 1.00 0.00 H new ATOM 0 HB2 SER A 992 5.854 -8.711 -4.501 1.00 0.00 H new ATOM 0 HB3 SER A 992 5.265 -7.883 -3.072 1.00 0.00 H new ATOM 0 HG SER A 992 4.436 -10.040 -3.240 1.00 0.00 H new ATOM 1225 N PHE A 993 3.409 -5.580 -3.383 1.00 0.00 N ATOM 1226 CA PHE A 993 2.347 -4.869 -2.678 1.00 0.00 C ATOM 1227 C PHE A 993 1.559 -3.976 -3.633 1.00 0.00 C ATOM 1228 O PHE A 993 0.355 -3.779 -3.466 1.00 0.00 O ATOM 1229 CB PHE A 993 2.942 -4.030 -1.544 1.00 0.00 C ATOM 1230 CG PHE A 993 1.922 -3.250 -0.764 1.00 0.00 C ATOM 1231 CD1 PHE A 993 1.133 -3.873 0.187 1.00 0.00 C ATOM 1232 CD2 PHE A 993 1.755 -1.894 -0.981 1.00 0.00 C ATOM 1233 CE1 PHE A 993 0.197 -3.156 0.906 1.00 0.00 C ATOM 1234 CE2 PHE A 993 0.824 -1.173 -0.267 1.00 0.00 C ATOM 1235 CZ PHE A 993 0.035 -1.815 0.676 1.00 0.00 C ATOM 0 H PHE A 993 4.349 -5.249 -3.166 1.00 0.00 H new ATOM 0 HA PHE A 993 1.662 -5.606 -2.258 1.00 0.00 H new ATOM 0 HB2 PHE A 993 3.481 -4.688 -0.862 1.00 0.00 H new ATOM 0 HB3 PHE A 993 3.672 -3.338 -1.962 1.00 0.00 H new ATOM 0 HD1 PHE A 993 1.250 -4.931 0.369 1.00 0.00 H new ATOM 0 HD2 PHE A 993 2.363 -1.394 -1.720 1.00 0.00 H new ATOM 0 HE1 PHE A 993 -0.408 -3.653 1.650 1.00 0.00 H new ATOM 0 HE2 PHE A 993 0.709 -0.113 -0.440 1.00 0.00 H new ATOM 0 HZ PHE A 993 -0.707 -1.258 1.229 1.00 0.00 H new ATOM 1245 N LEU A 994 2.247 -3.446 -4.639 1.00 0.00 N ATOM 1246 CA LEU A 994 1.616 -2.589 -5.641 1.00 0.00 C ATOM 1247 C LEU A 994 0.480 -3.316 -6.352 1.00 0.00 C ATOM 1248 O LEU A 994 -0.511 -2.700 -6.743 1.00 0.00 O ATOM 1249 CB LEU A 994 2.647 -2.141 -6.678 1.00 0.00 C ATOM 1250 CG LEU A 994 3.789 -1.278 -6.144 1.00 0.00 C ATOM 1251 CD1 LEU A 994 4.877 -1.151 -7.193 1.00 0.00 C ATOM 1252 CD2 LEU A 994 3.277 0.094 -5.738 1.00 0.00 C ATOM 0 H LEU A 994 3.246 -3.595 -4.784 1.00 0.00 H new ATOM 0 HA LEU A 994 1.209 -1.720 -5.123 1.00 0.00 H new ATOM 0 HB2 LEU A 994 3.074 -3.028 -7.146 1.00 0.00 H new ATOM 0 HB3 LEU A 994 2.131 -1.585 -7.461 1.00 0.00 H new ATOM 0 HG LEU A 994 4.208 -1.759 -5.260 1.00 0.00 H new ATOM 0 HD11 LEU A 994 5.687 -0.534 -6.804 1.00 0.00 H new ATOM 0 HD12 LEU A 994 5.261 -2.141 -7.441 1.00 0.00 H new ATOM 0 HD13 LEU A 994 4.466 -0.687 -8.089 1.00 0.00 H new ATOM 0 HD21 LEU A 994 4.105 0.694 -5.360 1.00 0.00 H new ATOM 0 HD22 LEU A 994 2.836 0.588 -6.603 1.00 0.00 H new ATOM 0 HD23 LEU A 994 2.523 -0.015 -4.959 1.00 0.00 H new ATOM 1264 N GLN A 995 0.637 -4.626 -6.512 1.00 0.00 N ATOM 1265 CA GLN A 995 -0.337 -5.440 -7.234 1.00 0.00 C ATOM 1266 C GLN A 995 -1.731 -5.385 -6.579 1.00 0.00 C ATOM 1267 O GLN A 995 -2.673 -4.899 -7.200 1.00 0.00 O ATOM 1268 CB GLN A 995 0.167 -6.885 -7.364 1.00 0.00 C ATOM 1269 CG GLN A 995 -0.722 -7.779 -8.212 1.00 0.00 C ATOM 1270 CD GLN A 995 -0.222 -9.211 -8.266 1.00 0.00 C ATOM 1271 OE1 GLN A 995 0.394 -9.705 -7.319 1.00 0.00 O ATOM 1272 NE2 GLN A 995 -0.467 -9.881 -9.381 1.00 0.00 N ATOM 0 H GLN A 995 1.434 -5.150 -6.150 1.00 0.00 H new ATOM 0 HA GLN A 995 -0.446 -5.023 -8.235 1.00 0.00 H new ATOM 0 HB2 GLN A 995 1.168 -6.872 -7.796 1.00 0.00 H new ATOM 0 HB3 GLN A 995 0.255 -7.319 -6.368 1.00 0.00 H new ATOM 0 HG2 GLN A 995 -1.735 -7.766 -7.809 1.00 0.00 H new ATOM 0 HG3 GLN A 995 -0.776 -7.378 -9.224 1.00 0.00 H new ATOM 0 HE21 GLN A 995 -0.980 -9.435 -10.141 1.00 0.00 H new ATOM 0 HE22 GLN A 995 -0.142 -10.843 -9.480 1.00 0.00 H new ATOM 1281 N PRO A 996 -1.907 -5.864 -5.325 1.00 0.00 N ATOM 1282 CA PRO A 996 -3.210 -5.811 -4.663 1.00 0.00 C ATOM 1283 C PRO A 996 -3.523 -4.422 -4.117 1.00 0.00 C ATOM 1284 O PRO A 996 -4.685 -4.033 -4.017 1.00 0.00 O ATOM 1285 CB PRO A 996 -3.068 -6.818 -3.524 1.00 0.00 C ATOM 1286 CG PRO A 996 -1.620 -6.798 -3.181 1.00 0.00 C ATOM 1287 CD PRO A 996 -0.885 -6.490 -4.461 1.00 0.00 C ATOM 0 HA PRO A 996 -4.028 -6.037 -5.347 1.00 0.00 H new ATOM 0 HB2 PRO A 996 -3.682 -6.537 -2.668 1.00 0.00 H new ATOM 0 HB3 PRO A 996 -3.388 -7.813 -3.833 1.00 0.00 H new ATOM 0 HG2 PRO A 996 -1.411 -6.044 -2.422 1.00 0.00 H new ATOM 0 HG3 PRO A 996 -1.304 -7.758 -2.773 1.00 0.00 H new ATOM 0 HD2 PRO A 996 -0.045 -5.817 -4.286 1.00 0.00 H new ATOM 0 HD3 PRO A 996 -0.480 -7.394 -4.915 1.00 0.00 H new ATOM 1295 N GLY A 997 -2.474 -3.677 -3.776 1.00 0.00 N ATOM 1296 CA GLY A 997 -2.650 -2.347 -3.229 1.00 0.00 C ATOM 1297 C GLY A 997 -3.317 -1.410 -4.211 1.00 0.00 C ATOM 1298 O GLY A 997 -4.298 -0.749 -3.875 1.00 0.00 O ATOM 0 H GLY A 997 -1.503 -3.974 -3.870 1.00 0.00 H new ATOM 0 HA2 GLY A 997 -3.250 -2.406 -2.321 1.00 0.00 H new ATOM 0 HA3 GLY A 997 -1.679 -1.941 -2.944 1.00 0.00 H new ATOM 1302 N GLY A 998 -2.795 -1.373 -5.434 1.00 0.00 N ATOM 1303 CA GLY A 998 -3.357 -0.512 -6.456 1.00 0.00 C ATOM 1304 C GLY A 998 -4.777 -0.895 -6.807 1.00 0.00 C ATOM 1305 O GLY A 998 -5.612 -0.034 -7.099 1.00 0.00 O ATOM 0 H GLY A 998 -1.992 -1.925 -5.734 1.00 0.00 H new ATOM 0 HA2 GLY A 998 -3.336 0.521 -6.110 1.00 0.00 H new ATOM 0 HA3 GLY A 998 -2.737 -0.561 -7.351 1.00 0.00 H new ATOM 1309 N LYS A 999 -5.058 -2.192 -6.757 1.00 0.00 N ATOM 1310 CA LYS A 999 -6.387 -2.694 -7.067 1.00 0.00 C ATOM 1311 C LYS A 999 -7.368 -2.346 -5.954 1.00 0.00 C ATOM 1312 O LYS A 999 -8.548 -2.115 -6.213 1.00 0.00 O ATOM 1313 CB LYS A 999 -6.357 -4.208 -7.293 1.00 0.00 C ATOM 1314 CG LYS A 999 -5.482 -4.626 -8.461 1.00 0.00 C ATOM 1315 CD LYS A 999 -5.603 -6.111 -8.753 1.00 0.00 C ATOM 1316 CE LYS A 999 -4.659 -6.540 -9.866 1.00 0.00 C ATOM 1317 NZ LYS A 999 -4.871 -5.763 -11.117 1.00 0.00 N ATOM 0 H LYS A 999 -4.382 -2.913 -6.505 1.00 0.00 H new ATOM 0 HA LYS A 999 -6.722 -2.214 -7.987 1.00 0.00 H new ATOM 0 HB2 LYS A 999 -5.998 -4.696 -6.387 1.00 0.00 H new ATOM 0 HB3 LYS A 999 -7.373 -4.562 -7.465 1.00 0.00 H new ATOM 0 HG2 LYS A 999 -5.763 -4.057 -9.347 1.00 0.00 H new ATOM 0 HG3 LYS A 999 -4.442 -4.382 -8.242 1.00 0.00 H new ATOM 0 HD2 LYS A 999 -5.383 -6.679 -7.849 1.00 0.00 H new ATOM 0 HD3 LYS A 999 -6.630 -6.345 -9.035 1.00 0.00 H new ATOM 0 HE2 LYS A 999 -3.628 -6.415 -9.534 1.00 0.00 H new ATOM 0 HE3 LYS A 999 -4.801 -7.601 -10.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 999 -4.344 -6.208 -11.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 999 -5.885 -5.748 -11.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 999 -4.533 -4.789 -10.982 1.00 0.00 H new ATOM 1331 N MET A1000 -6.882 -2.287 -4.718 1.00 0.00 N ATOM 1332 CA MET A1000 -7.743 -1.930 -3.600 1.00 0.00 C ATOM 1333 C MET A1000 -8.088 -0.451 -3.670 1.00 0.00 C ATOM 1334 O MET A1000 -9.187 -0.048 -3.304 1.00 0.00 O ATOM 1335 CB MET A1000 -7.092 -2.263 -2.255 1.00 0.00 C ATOM 1336 CG MET A1000 -8.067 -2.170 -1.088 1.00 0.00 C ATOM 1337 SD MET A1000 -7.369 -2.745 0.472 1.00 0.00 S ATOM 1338 CE MET A1000 -6.139 -1.483 0.773 1.00 0.00 C ATOM 0 H MET A1000 -5.912 -2.479 -4.469 1.00 0.00 H new ATOM 0 HA MET A1000 -8.657 -2.520 -3.675 1.00 0.00 H new ATOM 0 HB2 MET A1000 -6.677 -3.270 -2.297 1.00 0.00 H new ATOM 0 HB3 MET A1000 -6.259 -1.582 -2.081 1.00 0.00 H new ATOM 0 HG2 MET A1000 -8.389 -1.135 -0.974 1.00 0.00 H new ATOM 0 HG3 MET A1000 -8.956 -2.757 -1.319 1.00 0.00 H new ATOM 0 HE1 MET A1000 -5.976 -1.382 1.846 1.00 0.00 H new ATOM 0 HE2 MET A1000 -5.204 -1.764 0.289 1.00 0.00 H new ATOM 0 HE3 MET A1000 -6.486 -0.533 0.368 1.00 0.00 H new ATOM 1348 N VAL A1001 -7.144 0.349 -4.153 1.00 0.00 N ATOM 1349 CA VAL A1001 -7.397 1.763 -4.399 1.00 0.00 C ATOM 1350 C VAL A1001 -8.478 1.915 -5.460 1.00 0.00 C ATOM 1351 O VAL A1001 -9.413 2.704 -5.306 1.00 0.00 O ATOM 1352 CB VAL A1001 -6.126 2.507 -4.866 1.00 0.00 C ATOM 1353 CG1 VAL A1001 -6.421 3.978 -5.110 1.00 0.00 C ATOM 1354 CG2 VAL A1001 -5.007 2.355 -3.851 1.00 0.00 C ATOM 0 H VAL A1001 -6.198 0.043 -4.381 1.00 0.00 H new ATOM 0 HA VAL A1001 -7.722 2.204 -3.457 1.00 0.00 H new ATOM 0 HB VAL A1001 -5.802 2.059 -5.805 1.00 0.00 H new ATOM 0 HG11 VAL A1001 -5.512 4.482 -5.438 1.00 0.00 H new ATOM 0 HG12 VAL A1001 -7.186 4.073 -5.880 1.00 0.00 H new ATOM 0 HG13 VAL A1001 -6.777 4.436 -4.187 1.00 0.00 H new ATOM 0 HG21 VAL A1001 -4.123 2.887 -4.202 1.00 0.00 H new ATOM 0 HG22 VAL A1001 -5.325 2.770 -2.894 1.00 0.00 H new ATOM 0 HG23 VAL A1001 -4.769 1.299 -3.727 1.00 0.00 H new ATOM 1364 N ALA A1002 -8.348 1.136 -6.526 1.00 0.00 N ATOM 1365 CA ALA A1002 -9.320 1.141 -7.608 1.00 0.00 C ATOM 1366 C ALA A1002 -10.696 0.729 -7.100 1.00 0.00 C ATOM 1367 O ALA A1002 -11.693 1.405 -7.366 1.00 0.00 O ATOM 1368 CB ALA A1002 -8.865 0.216 -8.726 1.00 0.00 C ATOM 0 H ALA A1002 -7.572 0.488 -6.663 1.00 0.00 H new ATOM 0 HA ALA A1002 -9.394 2.155 -8.001 1.00 0.00 H new ATOM 0 HB1 ALA A1002 -9.601 0.228 -9.530 1.00 0.00 H new ATOM 0 HB2 ALA A1002 -7.903 0.555 -9.109 1.00 0.00 H new ATOM 0 HB3 ALA A1002 -8.765 -0.799 -8.341 1.00 0.00 H new ATOM 1374 N ALA A1003 -10.737 -0.377 -6.360 1.00 0.00 N ATOM 1375 CA ALA A1003 -11.979 -0.881 -5.786 1.00 0.00 C ATOM 1376 C ALA A1003 -12.584 0.137 -4.826 1.00 0.00 C ATOM 1377 O ALA A1003 -13.793 0.365 -4.835 1.00 0.00 O ATOM 1378 CB ALA A1003 -11.737 -2.208 -5.077 1.00 0.00 C ATOM 0 H ALA A1003 -9.917 -0.944 -6.144 1.00 0.00 H new ATOM 0 HA ALA A1003 -12.689 -1.046 -6.597 1.00 0.00 H new ATOM 0 HB1 ALA A1003 -12.674 -2.571 -4.654 1.00 0.00 H new ATOM 0 HB2 ALA A1003 -11.355 -2.938 -5.791 1.00 0.00 H new ATOM 0 HB3 ALA A1003 -11.009 -2.066 -4.278 1.00 0.00 H new ATOM 1384 N ALA A1004 -11.731 0.754 -4.010 1.00 0.00 N ATOM 1385 CA ALA A1004 -12.172 1.763 -3.053 1.00 0.00 C ATOM 1386 C ALA A1004 -12.850 2.923 -3.766 1.00 0.00 C ATOM 1387 O ALA A1004 -13.992 3.268 -3.459 1.00 0.00 O ATOM 1388 CB ALA A1004 -10.995 2.262 -2.222 1.00 0.00 C ATOM 0 H ALA A1004 -10.728 0.571 -3.994 1.00 0.00 H new ATOM 0 HA ALA A1004 -12.898 1.303 -2.383 1.00 0.00 H new ATOM 0 HB1 ALA A1004 -11.343 3.014 -1.514 1.00 0.00 H new ATOM 0 HB2 ALA A1004 -10.554 1.427 -1.678 1.00 0.00 H new ATOM 0 HB3 ALA A1004 -10.246 2.702 -2.880 1.00 0.00 H new ATOM 1394 N LYS A1005 -12.155 3.498 -4.740 1.00 0.00 N ATOM 1395 CA LYS A1005 -12.677 4.632 -5.494 1.00 0.00 C ATOM 1396 C LYS A1005 -13.965 4.265 -6.216 1.00 0.00 C ATOM 1397 O LYS A1005 -14.885 5.076 -6.315 1.00 0.00 O ATOM 1398 CB LYS A1005 -11.645 5.119 -6.510 1.00 0.00 C ATOM 1399 CG LYS A1005 -10.399 5.719 -5.877 1.00 0.00 C ATOM 1400 CD LYS A1005 -9.414 6.195 -6.931 1.00 0.00 C ATOM 1401 CE LYS A1005 -8.197 6.852 -6.300 1.00 0.00 C ATOM 1402 NZ LYS A1005 -7.219 7.306 -7.322 1.00 0.00 N ATOM 0 H LYS A1005 -11.224 3.196 -5.027 1.00 0.00 H new ATOM 0 HA LYS A1005 -12.890 5.431 -4.784 1.00 0.00 H new ATOM 0 HB2 LYS A1005 -11.352 4.284 -7.146 1.00 0.00 H new ATOM 0 HB3 LYS A1005 -12.108 5.865 -7.156 1.00 0.00 H new ATOM 0 HG2 LYS A1005 -10.681 6.555 -5.237 1.00 0.00 H new ATOM 0 HG3 LYS A1005 -9.920 4.976 -5.239 1.00 0.00 H new ATOM 0 HD2 LYS A1005 -9.097 5.350 -7.542 1.00 0.00 H new ATOM 0 HD3 LYS A1005 -9.907 6.903 -7.597 1.00 0.00 H new ATOM 0 HE2 LYS A1005 -8.515 7.704 -5.699 1.00 0.00 H new ATOM 0 HE3 LYS A1005 -7.714 6.147 -5.623 1.00 0.00 H new ATOM 0 HZ1 LYS A1005 -6.404 7.748 -6.851 1.00 0.00 H new ATOM 0 HZ2 LYS A1005 -6.895 6.490 -7.880 1.00 0.00 H new ATOM 0 HZ3 LYS A1005 -7.672 7.998 -7.952 1.00 0.00 H new ATOM 1416 N ALA A1006 -14.033 3.038 -6.704 1.00 0.00 N ATOM 1417 CA ALA A1006 -15.183 2.581 -7.466 1.00 0.00 C ATOM 1418 C ALA A1006 -16.385 2.317 -6.563 1.00 0.00 C ATOM 1419 O ALA A1006 -17.532 2.446 -6.992 1.00 0.00 O ATOM 1420 CB ALA A1006 -14.821 1.336 -8.257 1.00 0.00 C ATOM 0 H ALA A1006 -13.301 2.337 -6.585 1.00 0.00 H new ATOM 0 HA ALA A1006 -15.466 3.372 -8.160 1.00 0.00 H new ATOM 0 HB1 ALA A1006 -15.689 1.001 -8.825 1.00 0.00 H new ATOM 0 HB2 ALA A1006 -14.005 1.565 -8.943 1.00 0.00 H new ATOM 0 HB3 ALA A1006 -14.509 0.548 -7.572 1.00 0.00 H new ATOM 1426 N SER A1007 -16.125 1.956 -5.311 1.00 0.00 N ATOM 1427 CA SER A1007 -17.199 1.675 -4.370 1.00 0.00 C ATOM 1428 C SER A1007 -17.763 2.959 -3.763 1.00 0.00 C ATOM 1429 O SER A1007 -18.907 2.980 -3.307 1.00 0.00 O ATOM 1430 CB SER A1007 -16.722 0.721 -3.269 1.00 0.00 C ATOM 1431 OG SER A1007 -15.573 1.216 -2.598 1.00 0.00 O ATOM 0 H SER A1007 -15.186 1.852 -4.928 1.00 0.00 H new ATOM 0 HA SER A1007 -18.002 1.189 -4.924 1.00 0.00 H new ATOM 0 HB2 SER A1007 -17.525 0.569 -2.548 1.00 0.00 H new ATOM 0 HB3 SER A1007 -16.496 -0.252 -3.705 1.00 0.00 H new ATOM 0 HG SER A1007 -15.278 2.048 -3.024 1.00 0.00 H new ATOM 1437 N VAL A1008 -16.971 4.031 -3.788 1.00 0.00 N ATOM 1438 CA VAL A1008 -17.378 5.320 -3.219 1.00 0.00 C ATOM 1439 C VAL A1008 -18.766 5.774 -3.715 1.00 0.00 C ATOM 1440 O VAL A1008 -19.665 5.999 -2.901 1.00 0.00 O ATOM 1441 CB VAL A1008 -16.330 6.425 -3.509 1.00 0.00 C ATOM 1442 CG1 VAL A1008 -16.832 7.794 -3.073 1.00 0.00 C ATOM 1443 CG2 VAL A1008 -15.013 6.104 -2.817 1.00 0.00 C ATOM 0 H VAL A1008 -16.037 4.033 -4.199 1.00 0.00 H new ATOM 0 HA VAL A1008 -17.442 5.166 -2.142 1.00 0.00 H new ATOM 0 HB VAL A1008 -16.167 6.453 -4.586 1.00 0.00 H new ATOM 0 HG11 VAL A1008 -16.073 8.546 -3.290 1.00 0.00 H new ATOM 0 HG12 VAL A1008 -17.747 8.035 -3.614 1.00 0.00 H new ATOM 0 HG13 VAL A1008 -17.035 7.783 -2.002 1.00 0.00 H new ATOM 0 HG21 VAL A1008 -14.289 6.890 -3.031 1.00 0.00 H new ATOM 0 HG22 VAL A1008 -15.173 6.042 -1.741 1.00 0.00 H new ATOM 0 HG23 VAL A1008 -14.633 5.150 -3.183 1.00 0.00 H new ATOM 1453 N PRO A1009 -18.980 5.896 -5.045 1.00 0.00 N ATOM 1454 CA PRO A1009 -20.260 6.371 -5.588 1.00 0.00 C ATOM 1455 C PRO A1009 -21.373 5.320 -5.539 1.00 0.00 C ATOM 1456 O PRO A1009 -22.517 5.606 -5.887 1.00 0.00 O ATOM 1457 CB PRO A1009 -19.917 6.713 -7.038 1.00 0.00 C ATOM 1458 CG PRO A1009 -18.801 5.794 -7.383 1.00 0.00 C ATOM 1459 CD PRO A1009 -18.003 5.618 -6.121 1.00 0.00 C ATOM 0 HA PRO A1009 -20.652 7.206 -5.007 1.00 0.00 H new ATOM 0 HB2 PRO A1009 -20.774 6.561 -7.695 1.00 0.00 H new ATOM 0 HB3 PRO A1009 -19.618 7.756 -7.140 1.00 0.00 H new ATOM 0 HG2 PRO A1009 -19.180 4.837 -7.741 1.00 0.00 H new ATOM 0 HG3 PRO A1009 -18.184 6.211 -8.179 1.00 0.00 H new ATOM 0 HD2 PRO A1009 -17.597 4.610 -6.042 1.00 0.00 H new ATOM 0 HD3 PRO A1009 -17.158 6.306 -6.082 1.00 0.00 H new ATOM 1467 N THR A1010 -21.044 4.104 -5.120 1.00 0.00 N ATOM 1468 CA THR A1010 -22.045 3.049 -5.027 1.00 0.00 C ATOM 1469 C THR A1010 -22.506 2.846 -3.587 1.00 0.00 C ATOM 1470 O THR A1010 -23.522 2.198 -3.334 1.00 0.00 O ATOM 1471 CB THR A1010 -21.527 1.716 -5.599 1.00 0.00 C ATOM 1472 OG1 THR A1010 -20.251 1.388 -5.034 1.00 0.00 O ATOM 1473 CG2 THR A1010 -21.411 1.785 -7.113 1.00 0.00 C ATOM 0 H THR A1010 -20.103 3.826 -4.842 1.00 0.00 H new ATOM 0 HA THR A1010 -22.895 3.373 -5.627 1.00 0.00 H new ATOM 0 HB THR A1010 -22.245 0.939 -5.336 1.00 0.00 H new ATOM 0 HG1 THR A1010 -20.033 2.028 -4.324 1.00 0.00 H new ATOM 0 HG21 THR A1010 -21.043 0.832 -7.494 1.00 0.00 H new ATOM 0 HG22 THR A1010 -22.390 1.994 -7.544 1.00 0.00 H new ATOM 0 HG23 THR A1010 -20.716 2.578 -7.389 1.00 0.00 H new ATOM 1481 N ILE A1011 -21.756 3.403 -2.647 1.00 0.00 N ATOM 1482 CA ILE A1011 -22.099 3.298 -1.236 1.00 0.00 C ATOM 1483 C ILE A1011 -23.088 4.394 -0.856 1.00 0.00 C ATOM 1484 O ILE A1011 -22.887 5.566 -1.187 1.00 0.00 O ATOM 1485 CB ILE A1011 -20.834 3.384 -0.345 1.00 0.00 C ATOM 1486 CG1 ILE A1011 -19.957 2.148 -0.564 1.00 0.00 C ATOM 1487 CG2 ILE A1011 -21.201 3.519 1.128 1.00 0.00 C ATOM 1488 CD1 ILE A1011 -18.677 2.157 0.242 1.00 0.00 C ATOM 0 H ILE A1011 -20.905 3.933 -2.836 1.00 0.00 H new ATOM 0 HA ILE A1011 -22.562 2.325 -1.070 1.00 0.00 H new ATOM 0 HB ILE A1011 -20.276 4.276 -0.631 1.00 0.00 H new ATOM 0 HG12 ILE A1011 -20.530 1.257 -0.308 1.00 0.00 H new ATOM 0 HG13 ILE A1011 -19.708 2.073 -1.623 1.00 0.00 H new ATOM 0 HG21 ILE A1011 -20.291 3.577 1.726 1.00 0.00 H new ATOM 0 HG22 ILE A1011 -21.790 4.424 1.275 1.00 0.00 H new ATOM 0 HG23 ILE A1011 -21.785 2.652 1.438 1.00 0.00 H new ATOM 0 HD11 ILE A1011 -18.110 1.250 0.034 1.00 0.00 H new ATOM 0 HD12 ILE A1011 -18.081 3.028 -0.031 1.00 0.00 H new ATOM 0 HD13 ILE A1011 -18.916 2.199 1.305 1.00 0.00 H new ATOM 1500 N GLN A1012 -24.163 4.008 -0.177 1.00 0.00 N ATOM 1501 CA GLN A1012 -25.196 4.954 0.222 1.00 0.00 C ATOM 1502 C GLN A1012 -24.692 5.876 1.325 1.00 0.00 C ATOM 1503 O GLN A1012 -25.076 7.044 1.396 1.00 0.00 O ATOM 1504 CB GLN A1012 -26.453 4.217 0.687 1.00 0.00 C ATOM 1505 CG GLN A1012 -27.235 3.569 -0.442 1.00 0.00 C ATOM 1506 CD GLN A1012 -28.508 2.898 0.038 1.00 0.00 C ATOM 1507 OE1 GLN A1012 -28.523 1.705 0.340 1.00 0.00 O ATOM 1508 NE2 GLN A1012 -29.583 3.666 0.128 1.00 0.00 N ATOM 0 H GLN A1012 -24.341 3.045 0.108 1.00 0.00 H new ATOM 0 HA GLN A1012 -25.448 5.561 -0.648 1.00 0.00 H new ATOM 0 HB2 GLN A1012 -26.168 3.449 1.407 1.00 0.00 H new ATOM 0 HB3 GLN A1012 -27.102 4.919 1.210 1.00 0.00 H new ATOM 0 HG2 GLN A1012 -27.486 4.325 -1.186 1.00 0.00 H new ATOM 0 HG3 GLN A1012 -26.605 2.831 -0.938 1.00 0.00 H new ATOM 0 HE21 GLN A1012 -29.529 4.651 -0.132 1.00 0.00 H new ATOM 0 HE22 GLN A1012 -30.465 3.273 0.457 1.00 0.00 H new ATOM 1517 N ASP A1013 -23.822 5.351 2.173 1.00 0.00 N ATOM 1518 CA ASP A1013 -23.274 6.124 3.276 1.00 0.00 C ATOM 1519 C ASP A1013 -22.162 7.045 2.782 1.00 0.00 C ATOM 1520 O ASP A1013 -21.063 6.593 2.453 1.00 0.00 O ATOM 1521 CB ASP A1013 -22.744 5.200 4.370 1.00 0.00 C ATOM 1522 CG ASP A1013 -22.329 5.961 5.610 1.00 0.00 C ATOM 1523 OD1 ASP A1013 -23.201 6.234 6.460 1.00 0.00 O ATOM 1524 OD2 ASP A1013 -21.133 6.284 5.744 1.00 0.00 O ATOM 0 H ASP A1013 -23.480 4.392 2.118 1.00 0.00 H new ATOM 0 HA ASP A1013 -24.074 6.734 3.695 1.00 0.00 H new ATOM 0 HB2 ASP A1013 -23.512 4.473 4.632 1.00 0.00 H new ATOM 0 HB3 ASP A1013 -21.891 4.639 3.988 1.00 0.00 H new ATOM 1529 N GLN A1014 -22.460 8.335 2.736 1.00 0.00 N ATOM 1530 CA GLN A1014 -21.532 9.332 2.213 1.00 0.00 C ATOM 1531 C GLN A1014 -20.286 9.446 3.085 1.00 0.00 C ATOM 1532 O GLN A1014 -19.185 9.653 2.579 1.00 0.00 O ATOM 1533 CB GLN A1014 -22.235 10.685 2.108 1.00 0.00 C ATOM 1534 CG GLN A1014 -21.356 11.809 1.589 1.00 0.00 C ATOM 1535 CD GLN A1014 -22.116 13.112 1.440 1.00 0.00 C ATOM 1536 OE1 GLN A1014 -21.800 13.931 0.576 1.00 0.00 O ATOM 1537 NE2 GLN A1014 -23.132 13.308 2.266 1.00 0.00 N ATOM 0 H GLN A1014 -23.347 8.721 3.058 1.00 0.00 H new ATOM 0 HA GLN A1014 -21.211 9.014 1.221 1.00 0.00 H new ATOM 0 HB2 GLN A1014 -23.099 10.582 1.451 1.00 0.00 H new ATOM 0 HB3 GLN A1014 -22.614 10.961 3.092 1.00 0.00 H new ATOM 0 HG2 GLN A1014 -20.518 11.956 2.270 1.00 0.00 H new ATOM 0 HG3 GLN A1014 -20.937 11.523 0.624 1.00 0.00 H new ATOM 0 HE21 GLN A1014 -23.361 12.605 2.968 1.00 0.00 H new ATOM 0 HE22 GLN A1014 -23.685 14.162 2.200 1.00 0.00 H new ATOM 1546 N ALA A1015 -20.462 9.299 4.393 1.00 0.00 N ATOM 1547 CA ALA A1015 -19.347 9.371 5.329 1.00 0.00 C ATOM 1548 C ALA A1015 -18.293 8.320 4.996 1.00 0.00 C ATOM 1549 O ALA A1015 -17.102 8.620 4.920 1.00 0.00 O ATOM 1550 CB ALA A1015 -19.838 9.199 6.758 1.00 0.00 C ATOM 0 H ALA A1015 -21.368 9.129 4.830 1.00 0.00 H new ATOM 0 HA ALA A1015 -18.888 10.356 5.237 1.00 0.00 H new ATOM 0 HB1 ALA A1015 -18.992 9.256 7.443 1.00 0.00 H new ATOM 0 HB2 ALA A1015 -20.550 9.989 6.995 1.00 0.00 H new ATOM 0 HB3 ALA A1015 -20.324 8.229 6.861 1.00 0.00 H new ATOM 1556 N SER A1016 -18.745 7.092 4.777 1.00 0.00 N ATOM 1557 CA SER A1016 -17.854 6.001 4.408 1.00 0.00 C ATOM 1558 C SER A1016 -17.229 6.252 3.040 1.00 0.00 C ATOM 1559 O SER A1016 -16.068 5.913 2.804 1.00 0.00 O ATOM 1560 CB SER A1016 -18.625 4.683 4.402 1.00 0.00 C ATOM 1561 OG SER A1016 -19.273 4.475 5.645 1.00 0.00 O ATOM 0 H SER A1016 -19.727 6.827 4.849 1.00 0.00 H new ATOM 0 HA SER A1016 -17.051 5.943 5.143 1.00 0.00 H new ATOM 0 HB2 SER A1016 -19.362 4.691 3.599 1.00 0.00 H new ATOM 0 HB3 SER A1016 -17.942 3.858 4.200 1.00 0.00 H new ATOM 0 HG SER A1016 -20.043 5.077 5.717 1.00 0.00 H new ATOM 1567 N ALA A1017 -18.005 6.855 2.147 1.00 0.00 N ATOM 1568 CA ALA A1017 -17.520 7.194 0.816 1.00 0.00 C ATOM 1569 C ALA A1017 -16.372 8.196 0.905 1.00 0.00 C ATOM 1570 O ALA A1017 -15.336 8.036 0.253 1.00 0.00 O ATOM 1571 CB ALA A1017 -18.656 7.749 -0.029 1.00 0.00 C ATOM 0 H ALA A1017 -18.975 7.119 2.322 1.00 0.00 H new ATOM 0 HA ALA A1017 -17.144 6.289 0.338 1.00 0.00 H new ATOM 0 HB1 ALA A1017 -18.282 7.999 -1.022 1.00 0.00 H new ATOM 0 HB2 ALA A1017 -19.444 7.001 -0.116 1.00 0.00 H new ATOM 0 HB3 ALA A1017 -19.057 8.645 0.444 1.00 0.00 H new ATOM 1577 N MET A1018 -16.555 9.219 1.733 1.00 0.00 N ATOM 1578 CA MET A1018 -15.528 10.232 1.946 1.00 0.00 C ATOM 1579 C MET A1018 -14.310 9.626 2.634 1.00 0.00 C ATOM 1580 O MET A1018 -13.169 9.978 2.323 1.00 0.00 O ATOM 1581 CB MET A1018 -16.076 11.391 2.782 1.00 0.00 C ATOM 1582 CG MET A1018 -17.224 12.135 2.118 1.00 0.00 C ATOM 1583 SD MET A1018 -16.764 12.856 0.532 1.00 0.00 S ATOM 1584 CE MET A1018 -18.313 13.612 0.045 1.00 0.00 C ATOM 0 H MET A1018 -17.409 9.369 2.270 1.00 0.00 H new ATOM 0 HA MET A1018 -15.226 10.615 0.971 1.00 0.00 H new ATOM 0 HB2 MET A1018 -16.413 11.006 3.744 1.00 0.00 H new ATOM 0 HB3 MET A1018 -15.268 12.094 2.985 1.00 0.00 H new ATOM 0 HG2 MET A1018 -18.059 11.450 1.972 1.00 0.00 H new ATOM 0 HG3 MET A1018 -17.572 12.925 2.784 1.00 0.00 H new ATOM 0 HE1 MET A1018 -18.191 14.101 -0.921 1.00 0.00 H new ATOM 0 HE2 MET A1018 -19.084 12.845 -0.031 1.00 0.00 H new ATOM 0 HE3 MET A1018 -18.608 14.350 0.791 1.00 0.00 H new ATOM 1594 N GLN A1019 -14.564 8.708 3.562 1.00 0.00 N ATOM 1595 CA GLN A1019 -13.499 7.998 4.260 1.00 0.00 C ATOM 1596 C GLN A1019 -12.637 7.222 3.264 1.00 0.00 C ATOM 1597 O GLN A1019 -11.408 7.237 3.344 1.00 0.00 O ATOM 1598 CB GLN A1019 -14.099 7.044 5.299 1.00 0.00 C ATOM 1599 CG GLN A1019 -13.069 6.362 6.185 1.00 0.00 C ATOM 1600 CD GLN A1019 -12.262 7.346 7.008 1.00 0.00 C ATOM 1601 OE1 GLN A1019 -11.203 7.810 6.583 1.00 0.00 O ATOM 1602 NE2 GLN A1019 -12.765 7.685 8.182 1.00 0.00 N ATOM 0 H GLN A1019 -15.505 8.438 3.849 1.00 0.00 H new ATOM 0 HA GLN A1019 -12.868 8.725 4.771 1.00 0.00 H new ATOM 0 HB2 GLN A1019 -14.793 7.600 5.929 1.00 0.00 H new ATOM 0 HB3 GLN A1019 -14.680 6.280 4.782 1.00 0.00 H new ATOM 0 HG2 GLN A1019 -13.575 5.665 6.853 1.00 0.00 H new ATOM 0 HG3 GLN A1019 -12.393 5.774 5.564 1.00 0.00 H new ATOM 0 HE21 GLN A1019 -13.645 7.277 8.497 1.00 0.00 H new ATOM 0 HE22 GLN A1019 -12.273 8.355 8.774 1.00 0.00 H new ATOM 1611 N LEU A1020 -13.293 6.557 2.318 1.00 0.00 N ATOM 1612 CA LEU A1020 -12.594 5.833 1.263 1.00 0.00 C ATOM 1613 C LEU A1020 -11.795 6.785 0.384 1.00 0.00 C ATOM 1614 O LEU A1020 -10.642 6.516 0.056 1.00 0.00 O ATOM 1615 CB LEU A1020 -13.585 5.046 0.405 1.00 0.00 C ATOM 1616 CG LEU A1020 -14.163 3.796 1.064 1.00 0.00 C ATOM 1617 CD1 LEU A1020 -15.229 3.175 0.177 1.00 0.00 C ATOM 1618 CD2 LEU A1020 -13.054 2.795 1.344 1.00 0.00 C ATOM 0 H LEU A1020 -14.310 6.505 2.261 1.00 0.00 H new ATOM 0 HA LEU A1020 -11.903 5.137 1.739 1.00 0.00 H new ATOM 0 HB2 LEU A1020 -14.408 5.706 0.130 1.00 0.00 H new ATOM 0 HB3 LEU A1020 -13.088 4.753 -0.520 1.00 0.00 H new ATOM 0 HG LEU A1020 -14.626 4.079 2.010 1.00 0.00 H new ATOM 0 HD11 LEU A1020 -15.631 2.285 0.661 1.00 0.00 H new ATOM 0 HD12 LEU A1020 -16.032 3.894 0.015 1.00 0.00 H new ATOM 0 HD13 LEU A1020 -14.790 2.900 -0.782 1.00 0.00 H new ATOM 0 HD21 LEU A1020 -13.476 1.907 1.814 1.00 0.00 H new ATOM 0 HD22 LEU A1020 -12.571 2.515 0.408 1.00 0.00 H new ATOM 0 HD23 LEU A1020 -12.318 3.244 2.011 1.00 0.00 H new ATOM 1630 N SER A1021 -12.414 7.905 0.024 1.00 0.00 N ATOM 1631 CA SER A1021 -11.764 8.915 -0.804 1.00 0.00 C ATOM 1632 C SER A1021 -10.499 9.445 -0.122 1.00 0.00 C ATOM 1633 O SER A1021 -9.554 9.876 -0.782 1.00 0.00 O ATOM 1634 CB SER A1021 -12.740 10.065 -1.089 1.00 0.00 C ATOM 1635 OG SER A1021 -12.180 11.009 -1.984 1.00 0.00 O ATOM 0 H SER A1021 -13.370 8.137 0.294 1.00 0.00 H new ATOM 0 HA SER A1021 -11.472 8.455 -1.748 1.00 0.00 H new ATOM 0 HB2 SER A1021 -13.663 9.665 -1.510 1.00 0.00 H new ATOM 0 HB3 SER A1021 -13.004 10.560 -0.154 1.00 0.00 H new ATOM 0 HG SER A1021 -12.826 11.728 -2.147 1.00 0.00 H new ATOM 1641 N GLN A1022 -10.491 9.410 1.205 1.00 0.00 N ATOM 1642 CA GLN A1022 -9.333 9.839 1.976 1.00 0.00 C ATOM 1643 C GLN A1022 -8.264 8.748 1.990 1.00 0.00 C ATOM 1644 O GLN A1022 -7.110 8.988 1.634 1.00 0.00 O ATOM 1645 CB GLN A1022 -9.758 10.183 3.406 1.00 0.00 C ATOM 1646 CG GLN A1022 -8.627 10.704 4.277 1.00 0.00 C ATOM 1647 CD GLN A1022 -8.051 12.011 3.767 1.00 0.00 C ATOM 1648 OE1 GLN A1022 -7.107 12.024 2.978 1.00 0.00 O ATOM 1649 NE2 GLN A1022 -8.625 13.116 4.208 1.00 0.00 N ATOM 0 H GLN A1022 -11.277 9.088 1.770 1.00 0.00 H new ATOM 0 HA GLN A1022 -8.910 10.728 1.507 1.00 0.00 H new ATOM 0 HB2 GLN A1022 -10.549 10.932 3.369 1.00 0.00 H new ATOM 0 HB3 GLN A1022 -10.182 9.294 3.872 1.00 0.00 H new ATOM 0 HG2 GLN A1022 -8.992 10.845 5.294 1.00 0.00 H new ATOM 0 HG3 GLN A1022 -7.835 9.956 4.323 1.00 0.00 H new ATOM 0 HE21 GLN A1022 -9.406 13.059 4.862 1.00 0.00 H new ATOM 0 HE22 GLN A1022 -8.288 14.026 3.894 1.00 0.00 H new ATOM 1658 N CYS A1023 -8.667 7.546 2.382 1.00 0.00 N ATOM 1659 CA CYS A1023 -7.742 6.425 2.518 1.00 0.00 C ATOM 1660 C CYS A1023 -7.100 6.065 1.179 1.00 0.00 C ATOM 1661 O CYS A1023 -5.881 5.906 1.089 1.00 0.00 O ATOM 1662 CB CYS A1023 -8.476 5.213 3.089 1.00 0.00 C ATOM 1663 SG CYS A1023 -9.307 5.537 4.659 1.00 0.00 S ATOM 0 H CYS A1023 -9.635 7.320 2.613 1.00 0.00 H new ATOM 0 HA CYS A1023 -6.947 6.724 3.201 1.00 0.00 H new ATOM 0 HB2 CYS A1023 -9.213 4.871 2.362 1.00 0.00 H new ATOM 0 HB3 CYS A1023 -7.763 4.400 3.227 1.00 0.00 H new ATOM 0 HG CYS A1023 -10.339 6.301 4.454 1.00 0.00 H new ATOM 1669 N ALA A1024 -7.921 5.958 0.140 1.00 0.00 N ATOM 1670 CA ALA A1024 -7.434 5.600 -1.187 1.00 0.00 C ATOM 1671 C ALA A1024 -6.505 6.673 -1.741 1.00 0.00 C ATOM 1672 O ALA A1024 -5.623 6.385 -2.548 1.00 0.00 O ATOM 1673 CB ALA A1024 -8.599 5.368 -2.136 1.00 0.00 C ATOM 0 H ALA A1024 -8.928 6.114 0.191 1.00 0.00 H new ATOM 0 HA ALA A1024 -6.865 4.675 -1.097 1.00 0.00 H new ATOM 0 HB1 ALA A1024 -8.218 5.102 -3.122 1.00 0.00 H new ATOM 0 HB2 ALA A1024 -9.221 4.558 -1.757 1.00 0.00 H new ATOM 0 HB3 ALA A1024 -9.194 6.278 -2.211 1.00 0.00 H new ATOM 1679 N LYS A1025 -6.699 7.909 -1.298 1.00 0.00 N ATOM 1680 CA LYS A1025 -5.858 9.013 -1.735 1.00 0.00 C ATOM 1681 C LYS A1025 -4.465 8.876 -1.132 1.00 0.00 C ATOM 1682 O LYS A1025 -3.455 9.048 -1.821 1.00 0.00 O ATOM 1683 CB LYS A1025 -6.480 10.352 -1.333 1.00 0.00 C ATOM 1684 CG LYS A1025 -5.744 11.564 -1.882 1.00 0.00 C ATOM 1685 CD LYS A1025 -6.451 12.862 -1.514 1.00 0.00 C ATOM 1686 CE LYS A1025 -6.403 13.131 -0.016 1.00 0.00 C ATOM 1687 NZ LYS A1025 -5.025 13.445 0.447 1.00 0.00 N ATOM 0 H LYS A1025 -7.431 8.171 -0.637 1.00 0.00 H new ATOM 0 HA LYS A1025 -5.778 8.983 -2.822 1.00 0.00 H new ATOM 0 HB2 LYS A1025 -7.513 10.380 -1.679 1.00 0.00 H new ATOM 0 HB3 LYS A1025 -6.506 10.417 -0.245 1.00 0.00 H new ATOM 0 HG2 LYS A1025 -4.726 11.580 -1.492 1.00 0.00 H new ATOM 0 HG3 LYS A1025 -5.669 11.485 -2.966 1.00 0.00 H new ATOM 0 HD2 LYS A1025 -5.986 13.692 -2.047 1.00 0.00 H new ATOM 0 HD3 LYS A1025 -7.490 12.815 -1.841 1.00 0.00 H new ATOM 0 HE2 LYS A1025 -7.065 13.963 0.225 1.00 0.00 H new ATOM 0 HE3 LYS A1025 -6.777 12.260 0.522 1.00 0.00 H new ATOM 0 HZ1 LYS A1025 -5.058 13.786 1.429 1.00 0.00 H new ATOM 0 HZ2 LYS A1025 -4.438 12.588 0.397 1.00 0.00 H new ATOM 0 HZ3 LYS A1025 -4.614 14.182 -0.161 1.00 0.00 H new ATOM 1701 N ASN A1026 -4.421 8.546 0.153 1.00 0.00 N ATOM 1702 CA ASN A1026 -3.156 8.330 0.844 1.00 0.00 C ATOM 1703 C ASN A1026 -2.439 7.126 0.258 1.00 0.00 C ATOM 1704 O ASN A1026 -1.278 7.217 -0.138 1.00 0.00 O ATOM 1705 CB ASN A1026 -3.373 8.112 2.344 1.00 0.00 C ATOM 1706 CG ASN A1026 -3.937 9.331 3.046 1.00 0.00 C ATOM 1707 OD1 ASN A1026 -3.726 10.466 2.617 1.00 0.00 O ATOM 1708 ND2 ASN A1026 -4.641 9.105 4.142 1.00 0.00 N ATOM 0 H ASN A1026 -5.247 8.422 0.738 1.00 0.00 H new ATOM 0 HA ASN A1026 -2.546 9.223 0.708 1.00 0.00 H new ATOM 0 HB2 ASN A1026 -4.051 7.271 2.489 1.00 0.00 H new ATOM 0 HB3 ASN A1026 -2.424 7.840 2.807 1.00 0.00 H new ATOM 0 HD21 ASN A1026 -5.033 9.887 4.667 1.00 0.00 H new ATOM 0 HD22 ASN A1026 -4.792 8.149 4.463 1.00 0.00 H new ATOM 1715 N LEU A1027 -3.150 6.006 0.186 1.00 0.00 N ATOM 1716 CA LEU A1027 -2.591 4.763 -0.324 1.00 0.00 C ATOM 1717 C LEU A1027 -2.132 4.919 -1.768 1.00 0.00 C ATOM 1718 O LEU A1027 -1.025 4.517 -2.117 1.00 0.00 O ATOM 1719 CB LEU A1027 -3.625 3.634 -0.217 1.00 0.00 C ATOM 1720 CG LEU A1027 -3.157 2.263 -0.714 1.00 0.00 C ATOM 1721 CD1 LEU A1027 -1.951 1.782 0.082 1.00 0.00 C ATOM 1722 CD2 LEU A1027 -4.291 1.254 -0.626 1.00 0.00 C ATOM 0 H LEU A1027 -4.125 5.936 0.478 1.00 0.00 H new ATOM 0 HA LEU A1027 -1.722 4.509 0.283 1.00 0.00 H new ATOM 0 HB2 LEU A1027 -3.927 3.539 0.826 1.00 0.00 H new ATOM 0 HB3 LEU A1027 -4.512 3.922 -0.781 1.00 0.00 H new ATOM 0 HG LEU A1027 -2.858 2.360 -1.758 1.00 0.00 H new ATOM 0 HD11 LEU A1027 -1.636 0.806 -0.288 1.00 0.00 H new ATOM 0 HD12 LEU A1027 -1.133 2.494 -0.030 1.00 0.00 H new ATOM 0 HD13 LEU A1027 -2.219 1.701 1.135 1.00 0.00 H new ATOM 0 HD21 LEU A1027 -3.944 0.284 -0.983 1.00 0.00 H new ATOM 0 HD22 LEU A1027 -4.618 1.164 0.410 1.00 0.00 H new ATOM 0 HD23 LEU A1027 -5.125 1.590 -1.242 1.00 0.00 H new ATOM 1734 N GLY A1028 -2.976 5.522 -2.595 1.00 0.00 N ATOM 1735 CA GLY A1028 -2.656 5.690 -3.998 1.00 0.00 C ATOM 1736 C GLY A1028 -1.385 6.486 -4.220 1.00 0.00 C ATOM 1737 O GLY A1028 -0.542 6.107 -5.034 1.00 0.00 O ATOM 0 H GLY A1028 -3.882 5.900 -2.316 1.00 0.00 H new ATOM 0 HA2 GLY A1028 -2.551 4.709 -4.462 1.00 0.00 H new ATOM 0 HA3 GLY A1028 -3.485 6.191 -4.497 1.00 0.00 H new ATOM 1741 N THR A1029 -1.235 7.579 -3.485 1.00 0.00 N ATOM 1742 CA THR A1029 -0.060 8.424 -3.621 1.00 0.00 C ATOM 1743 C THR A1029 1.151 7.769 -2.960 1.00 0.00 C ATOM 1744 O THR A1029 2.284 7.923 -3.422 1.00 0.00 O ATOM 1745 CB THR A1029 -0.310 9.808 -3.008 1.00 0.00 C ATOM 1746 OG1 THR A1029 -1.600 10.289 -3.418 1.00 0.00 O ATOM 1747 CG2 THR A1029 0.762 10.797 -3.442 1.00 0.00 C ATOM 0 H THR A1029 -1.910 7.900 -2.791 1.00 0.00 H new ATOM 0 HA THR A1029 0.145 8.548 -4.684 1.00 0.00 H new ATOM 0 HB THR A1029 -0.276 9.716 -1.922 1.00 0.00 H new ATOM 0 HG1 THR A1029 -2.295 9.867 -2.871 1.00 0.00 H new ATOM 0 HG21 THR A1029 0.562 11.770 -2.994 1.00 0.00 H new ATOM 0 HG22 THR A1029 1.739 10.441 -3.115 1.00 0.00 H new ATOM 0 HG23 THR A1029 0.754 10.889 -4.528 1.00 0.00 H new ATOM 1755 N ALA A1030 0.903 7.024 -1.887 1.00 0.00 N ATOM 1756 CA ALA A1030 1.951 6.248 -1.242 1.00 0.00 C ATOM 1757 C ALA A1030 2.507 5.224 -2.220 1.00 0.00 C ATOM 1758 O ALA A1030 3.720 5.070 -2.356 1.00 0.00 O ATOM 1759 CB ALA A1030 1.412 5.562 0.006 1.00 0.00 C ATOM 0 H ALA A1030 -0.014 6.943 -1.448 1.00 0.00 H new ATOM 0 HA ALA A1030 2.756 6.918 -0.939 1.00 0.00 H new ATOM 0 HB1 ALA A1030 2.208 4.986 0.477 1.00 0.00 H new ATOM 0 HB2 ALA A1030 1.046 6.314 0.705 1.00 0.00 H new ATOM 0 HB3 ALA A1030 0.595 4.895 -0.270 1.00 0.00 H new ATOM 1765 N LEU A1031 1.604 4.550 -2.924 1.00 0.00 N ATOM 1766 CA LEU A1031 1.977 3.583 -3.949 1.00 0.00 C ATOM 1767 C LEU A1031 2.694 4.268 -5.103 1.00 0.00 C ATOM 1768 O LEU A1031 3.575 3.683 -5.727 1.00 0.00 O ATOM 1769 CB LEU A1031 0.736 2.865 -4.478 1.00 0.00 C ATOM 1770 CG LEU A1031 -0.003 2.002 -3.459 1.00 0.00 C ATOM 1771 CD1 LEU A1031 -1.301 1.483 -4.051 1.00 0.00 C ATOM 1772 CD2 LEU A1031 0.875 0.847 -3.009 1.00 0.00 C ATOM 0 H LEU A1031 0.597 4.658 -2.801 1.00 0.00 H new ATOM 0 HA LEU A1031 2.651 2.856 -3.496 1.00 0.00 H new ATOM 0 HB2 LEU A1031 0.043 3.611 -4.868 1.00 0.00 H new ATOM 0 HB3 LEU A1031 1.031 2.235 -5.317 1.00 0.00 H new ATOM 0 HG LEU A1031 -0.240 2.615 -2.589 1.00 0.00 H new ATOM 0 HD11 LEU A1031 -1.818 0.869 -3.313 1.00 0.00 H new ATOM 0 HD12 LEU A1031 -1.935 2.324 -4.331 1.00 0.00 H new ATOM 0 HD13 LEU A1031 -1.084 0.883 -4.934 1.00 0.00 H new ATOM 0 HD21 LEU A1031 0.334 0.241 -2.282 1.00 0.00 H new ATOM 0 HD22 LEU A1031 1.138 0.233 -3.870 1.00 0.00 H new ATOM 0 HD23 LEU A1031 1.784 1.238 -2.551 1.00 0.00 H new ATOM 1784 N ALA A1032 2.307 5.507 -5.376 1.00 0.00 N ATOM 1785 CA ALA A1032 2.894 6.282 -6.462 1.00 0.00 C ATOM 1786 C ALA A1032 4.401 6.429 -6.279 1.00 0.00 C ATOM 1787 O ALA A1032 5.183 6.082 -7.169 1.00 0.00 O ATOM 1788 CB ALA A1032 2.226 7.647 -6.550 1.00 0.00 C ATOM 0 H ALA A1032 1.582 6.001 -4.855 1.00 0.00 H new ATOM 0 HA ALA A1032 2.724 5.748 -7.397 1.00 0.00 H new ATOM 0 HB1 ALA A1032 2.672 8.218 -7.364 1.00 0.00 H new ATOM 0 HB2 ALA A1032 1.160 7.519 -6.737 1.00 0.00 H new ATOM 0 HB3 ALA A1032 2.368 8.183 -5.611 1.00 0.00 H new ATOM 1794 N GLU A1033 4.817 6.922 -5.119 1.00 0.00 N ATOM 1795 CA GLU A1033 6.234 7.104 -4.856 1.00 0.00 C ATOM 1796 C GLU A1033 6.894 5.778 -4.494 1.00 0.00 C ATOM 1797 O GLU A1033 8.081 5.589 -4.743 1.00 0.00 O ATOM 1798 CB GLU A1033 6.470 8.144 -3.760 1.00 0.00 C ATOM 1799 CG GLU A1033 5.831 7.811 -2.425 1.00 0.00 C ATOM 1800 CD GLU A1033 6.162 8.840 -1.370 1.00 0.00 C ATOM 1801 OE1 GLU A1033 7.236 8.732 -0.745 1.00 0.00 O ATOM 1802 OE2 GLU A1033 5.346 9.760 -1.155 1.00 0.00 O ATOM 0 H GLU A1033 4.200 7.199 -4.356 1.00 0.00 H new ATOM 0 HA GLU A1033 6.694 7.477 -5.771 1.00 0.00 H new ATOM 0 HB2 GLU A1033 7.544 8.262 -3.615 1.00 0.00 H new ATOM 0 HB3 GLU A1033 6.087 9.106 -4.101 1.00 0.00 H new ATOM 0 HG2 GLU A1033 4.749 7.750 -2.545 1.00 0.00 H new ATOM 0 HG3 GLU A1033 6.171 6.830 -2.094 1.00 0.00 H new ATOM 1809 N LEU A1034 6.120 4.859 -3.921 1.00 0.00 N ATOM 1810 CA LEU A1034 6.611 3.516 -3.626 1.00 0.00 C ATOM 1811 C LEU A1034 7.026 2.815 -4.912 1.00 0.00 C ATOM 1812 O LEU A1034 8.126 2.286 -5.013 1.00 0.00 O ATOM 1813 CB LEU A1034 5.539 2.689 -2.905 1.00 0.00 C ATOM 1814 CG LEU A1034 5.929 1.242 -2.587 1.00 0.00 C ATOM 1815 CD1 LEU A1034 7.094 1.202 -1.612 1.00 0.00 C ATOM 1816 CD2 LEU A1034 4.740 0.478 -2.029 1.00 0.00 C ATOM 0 H LEU A1034 5.150 5.021 -3.652 1.00 0.00 H new ATOM 0 HA LEU A1034 7.477 3.607 -2.971 1.00 0.00 H new ATOM 0 HB2 LEU A1034 5.283 3.192 -1.972 1.00 0.00 H new ATOM 0 HB3 LEU A1034 4.639 2.678 -3.519 1.00 0.00 H new ATOM 0 HG LEU A1034 6.242 0.761 -3.514 1.00 0.00 H new ATOM 0 HD11 LEU A1034 7.355 0.165 -1.399 1.00 0.00 H new ATOM 0 HD12 LEU A1034 7.953 1.710 -2.050 1.00 0.00 H new ATOM 0 HD13 LEU A1034 6.811 1.702 -0.686 1.00 0.00 H new ATOM 0 HD21 LEU A1034 5.037 -0.548 -1.809 1.00 0.00 H new ATOM 0 HD22 LEU A1034 4.395 0.960 -1.114 1.00 0.00 H new ATOM 0 HD23 LEU A1034 3.934 0.473 -2.763 1.00 0.00 H new ATOM 1828 N ARG A1035 6.136 2.838 -5.896 1.00 0.00 N ATOM 1829 CA ARG A1035 6.395 2.230 -7.194 1.00 0.00 C ATOM 1830 C ARG A1035 7.622 2.861 -7.845 1.00 0.00 C ATOM 1831 O ARG A1035 8.462 2.173 -8.426 1.00 0.00 O ATOM 1832 CB ARG A1035 5.165 2.399 -8.090 1.00 0.00 C ATOM 1833 CG ARG A1035 5.301 1.770 -9.464 1.00 0.00 C ATOM 1834 CD ARG A1035 4.033 1.957 -10.279 1.00 0.00 C ATOM 1835 NE ARG A1035 4.099 1.261 -11.561 1.00 0.00 N ATOM 1836 CZ ARG A1035 3.035 0.962 -12.303 1.00 0.00 C ATOM 1837 NH1 ARG A1035 1.816 1.323 -11.918 1.00 0.00 N ATOM 1838 NH2 ARG A1035 3.193 0.306 -13.442 1.00 0.00 N ATOM 0 H ARG A1035 5.218 3.277 -5.817 1.00 0.00 H new ATOM 0 HA ARG A1035 6.595 1.167 -7.058 1.00 0.00 H new ATOM 0 HB2 ARG A1035 4.302 1.963 -7.588 1.00 0.00 H new ATOM 0 HB3 ARG A1035 4.960 3.463 -8.209 1.00 0.00 H new ATOM 0 HG2 ARG A1035 6.144 2.217 -9.990 1.00 0.00 H new ATOM 0 HG3 ARG A1035 5.517 0.707 -9.361 1.00 0.00 H new ATOM 0 HD2 ARG A1035 3.179 1.589 -9.710 1.00 0.00 H new ATOM 0 HD3 ARG A1035 3.867 3.020 -10.452 1.00 0.00 H new ATOM 0 HE ARG A1035 5.018 0.987 -11.910 1.00 0.00 H new ATOM 0 HH11 ARG A1035 1.688 1.835 -11.045 1.00 0.00 H new ATOM 0 HH12 ARG A1035 1.008 1.088 -12.495 1.00 0.00 H new ATOM 0 HH21 ARG A1035 4.127 0.032 -13.747 1.00 0.00 H new ATOM 0 HH22 ARG A1035 2.381 0.075 -14.014 1.00 0.00 H new ATOM 1852 N THR A1036 7.721 4.174 -7.720 1.00 0.00 N ATOM 1853 CA THR A1036 8.834 4.916 -8.288 1.00 0.00 C ATOM 1854 C THR A1036 10.141 4.592 -7.556 1.00 0.00 C ATOM 1855 O THR A1036 11.167 4.332 -8.187 1.00 0.00 O ATOM 1856 CB THR A1036 8.557 6.432 -8.234 1.00 0.00 C ATOM 1857 OG1 THR A1036 7.264 6.708 -8.797 1.00 0.00 O ATOM 1858 CG2 THR A1036 9.618 7.211 -8.997 1.00 0.00 C ATOM 0 H THR A1036 7.039 4.751 -7.227 1.00 0.00 H new ATOM 0 HA THR A1036 8.941 4.615 -9.330 1.00 0.00 H new ATOM 0 HB THR A1036 8.583 6.746 -7.190 1.00 0.00 H new ATOM 0 HG1 THR A1036 6.567 6.412 -8.175 1.00 0.00 H new ATOM 0 HG21 THR A1036 9.397 8.277 -8.942 1.00 0.00 H new ATOM 0 HG22 THR A1036 10.597 7.020 -8.557 1.00 0.00 H new ATOM 0 HG23 THR A1036 9.622 6.895 -10.040 1.00 0.00 H new ATOM 1866 N ALA A1037 10.090 4.580 -6.225 1.00 0.00 N ATOM 1867 CA ALA A1037 11.271 4.307 -5.411 1.00 0.00 C ATOM 1868 C ALA A1037 11.709 2.851 -5.549 1.00 0.00 C ATOM 1869 O ALA A1037 12.905 2.554 -5.570 1.00 0.00 O ATOM 1870 CB ALA A1037 10.996 4.642 -3.952 1.00 0.00 C ATOM 0 H ALA A1037 9.241 4.757 -5.688 1.00 0.00 H new ATOM 0 HA ALA A1037 12.083 4.939 -5.770 1.00 0.00 H new ATOM 0 HB1 ALA A1037 11.885 4.434 -3.357 1.00 0.00 H new ATOM 0 HB2 ALA A1037 10.739 5.698 -3.863 1.00 0.00 H new ATOM 0 HB3 ALA A1037 10.166 4.035 -3.589 1.00 0.00 H new ATOM 1876 N ALA A1038 10.734 1.952 -5.647 1.00 0.00 N ATOM 1877 CA ALA A1038 11.011 0.529 -5.807 1.00 0.00 C ATOM 1878 C ALA A1038 11.713 0.259 -7.127 1.00 0.00 C ATOM 1879 O ALA A1038 12.574 -0.612 -7.208 1.00 0.00 O ATOM 1880 CB ALA A1038 9.727 -0.280 -5.724 1.00 0.00 C ATOM 0 H ALA A1038 9.742 2.186 -5.618 1.00 0.00 H new ATOM 0 HA ALA A1038 11.671 0.223 -4.995 1.00 0.00 H new ATOM 0 HB1 ALA A1038 9.956 -1.339 -5.846 1.00 0.00 H new ATOM 0 HB2 ALA A1038 9.258 -0.119 -4.753 1.00 0.00 H new ATOM 0 HB3 ALA A1038 9.045 0.037 -6.513 1.00 0.00 H new ATOM 1886 N GLN A1039 11.340 1.008 -8.155 1.00 0.00 N ATOM 1887 CA GLN A1039 11.967 0.863 -9.458 1.00 0.00 C ATOM 1888 C GLN A1039 13.363 1.476 -9.428 1.00 0.00 C ATOM 1889 O GLN A1039 14.298 0.946 -10.029 1.00 0.00 O ATOM 1890 CB GLN A1039 11.119 1.526 -10.541 1.00 0.00 C ATOM 1891 CG GLN A1039 11.293 0.898 -11.915 1.00 0.00 C ATOM 1892 CD GLN A1039 10.807 -0.541 -11.954 1.00 0.00 C ATOM 1893 OE1 GLN A1039 11.569 -1.481 -11.715 1.00 0.00 O ATOM 1894 NE2 GLN A1039 9.529 -0.720 -12.245 1.00 0.00 N ATOM 0 H GLN A1039 10.610 1.719 -8.111 1.00 0.00 H new ATOM 0 HA GLN A1039 12.048 -0.198 -9.693 1.00 0.00 H new ATOM 0 HB2 GLN A1039 10.069 1.470 -10.255 1.00 0.00 H new ATOM 0 HB3 GLN A1039 11.378 2.583 -10.598 1.00 0.00 H new ATOM 0 HG2 GLN A1039 10.746 1.485 -12.653 1.00 0.00 H new ATOM 0 HG3 GLN A1039 12.345 0.932 -12.198 1.00 0.00 H new ATOM 0 HE21 GLN A1039 8.932 0.085 -12.436 1.00 0.00 H new ATOM 0 HE22 GLN A1039 9.141 -1.663 -12.278 1.00 0.00 H new ATOM 1903 N LYS A1040 13.493 2.588 -8.710 1.00 0.00 N ATOM 1904 CA LYS A1040 14.788 3.235 -8.510 1.00 0.00 C ATOM 1905 C LYS A1040 15.789 2.266 -7.900 1.00 0.00 C ATOM 1906 O LYS A1040 16.835 2.000 -8.478 1.00 0.00 O ATOM 1907 CB LYS A1040 14.643 4.456 -7.597 1.00 0.00 C ATOM 1908 CG LYS A1040 14.106 5.696 -8.289 1.00 0.00 C ATOM 1909 CD LYS A1040 13.782 6.786 -7.280 1.00 0.00 C ATOM 1910 CE LYS A1040 13.552 8.128 -7.953 1.00 0.00 C ATOM 1911 NZ LYS A1040 14.824 8.740 -8.423 1.00 0.00 N ATOM 0 H LYS A1040 12.713 3.063 -8.254 1.00 0.00 H new ATOM 0 HA LYS A1040 15.154 3.555 -9.486 1.00 0.00 H new ATOM 0 HB2 LYS A1040 13.980 4.200 -6.771 1.00 0.00 H new ATOM 0 HB3 LYS A1040 15.616 4.689 -7.164 1.00 0.00 H new ATOM 0 HG2 LYS A1040 14.841 6.065 -9.004 1.00 0.00 H new ATOM 0 HG3 LYS A1040 13.210 5.442 -8.855 1.00 0.00 H new ATOM 0 HD2 LYS A1040 12.893 6.506 -6.715 1.00 0.00 H new ATOM 0 HD3 LYS A1040 14.600 6.874 -6.565 1.00 0.00 H new ATOM 0 HE2 LYS A1040 12.877 7.998 -8.799 1.00 0.00 H new ATOM 0 HE3 LYS A1040 13.060 8.805 -7.254 1.00 0.00 H new ATOM 0 HZ1 LYS A1040 14.642 9.709 -8.752 1.00 0.00 H new ATOM 0 HZ2 LYS A1040 15.508 8.763 -7.640 1.00 0.00 H new ATOM 0 HZ3 LYS A1040 15.212 8.176 -9.206 1.00 0.00 H new ATOM 1925 N ALA A1041 15.447 1.723 -6.739 1.00 0.00 N ATOM 1926 CA ALA A1041 16.341 0.816 -6.028 1.00 0.00 C ATOM 1927 C ALA A1041 16.565 -0.471 -6.816 1.00 0.00 C ATOM 1928 O ALA A1041 17.555 -1.172 -6.612 1.00 0.00 O ATOM 1929 CB ALA A1041 15.778 0.501 -4.650 1.00 0.00 C ATOM 0 H ALA A1041 14.558 1.894 -6.269 1.00 0.00 H new ATOM 0 HA ALA A1041 17.306 1.311 -5.915 1.00 0.00 H new ATOM 0 HB1 ALA A1041 16.453 -0.177 -4.127 1.00 0.00 H new ATOM 0 HB2 ALA A1041 15.677 1.424 -4.079 1.00 0.00 H new ATOM 0 HB3 ALA A1041 14.801 0.030 -4.755 1.00 0.00 H new ATOM 1935 N GLN A1042 15.644 -0.764 -7.720 1.00 0.00 N ATOM 1936 CA GLN A1042 15.688 -1.987 -8.505 1.00 0.00 C ATOM 1937 C GLN A1042 16.745 -1.898 -9.603 1.00 0.00 C ATOM 1938 O GLN A1042 17.681 -2.698 -9.639 1.00 0.00 O ATOM 1939 CB GLN A1042 14.299 -2.254 -9.102 1.00 0.00 C ATOM 1940 CG GLN A1042 14.120 -3.611 -9.766 1.00 0.00 C ATOM 1941 CD GLN A1042 14.644 -3.659 -11.187 1.00 0.00 C ATOM 1942 OE1 GLN A1042 15.779 -4.060 -11.437 1.00 0.00 O ATOM 1943 NE2 GLN A1042 13.828 -3.210 -12.123 1.00 0.00 N ATOM 0 H GLN A1042 14.847 -0.163 -7.930 1.00 0.00 H new ATOM 0 HA GLN A1042 15.966 -2.817 -7.855 1.00 0.00 H new ATOM 0 HB2 GLN A1042 13.557 -2.157 -8.309 1.00 0.00 H new ATOM 0 HB3 GLN A1042 14.084 -1.478 -9.837 1.00 0.00 H new ATOM 0 HG2 GLN A1042 14.632 -4.368 -9.172 1.00 0.00 H new ATOM 0 HG3 GLN A1042 13.061 -3.869 -9.768 1.00 0.00 H new ATOM 0 HE21 GLN A1042 12.894 -2.886 -11.873 1.00 0.00 H new ATOM 0 HE22 GLN A1042 14.132 -3.187 -13.096 1.00 0.00 H new