USER MOD reduce.3.24.130724 H: found=0, std=0, add=966, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 967 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 36 MET CE :methyl 152:sc= -0.306 (180deg=-1.32) USER MOD Set 1.2: A 51 MET CE :methyl -160:sc= -0.236 (180deg=-1.02) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.0223 USER MOD Single : A 8 GLN : amide:sc= -0.0229 X(o=-0.023,f=0.23) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -35:sc= 1.05 USER MOD Single : A 28 THR OG1 : rot -160:sc= 0.0596 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 90:sc= 1.22 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.111 K(o=-0.11,f=-1.3) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.0631 USER MOD Single : A 49 GLN : amide:sc= -0.134 X(o=-0.13,f=-0.011) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=-0.039) USER MOD Single : A 60 ASN : amide:sc= 0.17 K(o=0.17,f=-2.7!) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 73:sc= 0.202 USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 MET CE :methyl 176:sc= -0.0411 (180deg=-0.113) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= 0.264 K(o=0.26,f=-1.6!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot -69:sc= 0.815 USER MOD Single : A 107 HIS : no HD1:sc= -0.131 X(o=-0.13,f=-0.13) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot 21:sc= 0.111 USER MOD Single : A 111 ASN : amide:sc= -0.0843 K(o=-0.084,f=-2.3!) USER MOD Single : A 115 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00943) USER MOD Single : A 117 THR OG1 : rot -66:sc= 1.11 USER MOD Single : A 124 MET CE :methyl -168:sc= -0.113 (180deg=-0.445) USER MOD Single : A 135 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 137 ASN : amide:sc= 0.156 K(o=0.16,f=-6!) USER MOD Single : A 138 TYR OH : rot 90:sc= 0 USER MOD Single : A 143 GLN : amide:sc= -0.011 X(o=-0.011,f=-0.011) USER MOD Single : A 144 MET CE :methyl 167:sc= -0.13 (180deg=-0.37) USER MOD Single : A 145 MET CE :methyl 170:sc= 0 (180deg=-0.185) USER MOD ----------------------------------------------------------------- ATOM 58 N THR A 5 -12.431 16.510 0.560 1.00 0.00 N ATOM 59 CA THR A 5 -13.121 17.558 -0.126 1.00 0.00 C ATOM 60 C THR A 5 -14.354 16.882 -0.618 1.00 0.00 C ATOM 61 O THR A 5 -14.557 15.669 -0.642 1.00 0.00 O ATOM 62 CB THR A 5 -12.300 18.130 -1.244 1.00 0.00 C ATOM 63 OG1 THR A 5 -11.941 17.332 -2.363 1.00 0.00 O ATOM 64 CG2 THR A 5 -11.013 18.741 -0.665 1.00 0.00 C ATOM 0 HA THR A 5 -13.336 18.417 0.509 1.00 0.00 H new ATOM 0 HB THR A 5 -13.005 18.839 -1.678 1.00 0.00 H new ATOM 0 HG1 THR A 5 -11.410 17.867 -2.990 1.00 0.00 H new ATOM 0 HG21 THR A 5 -10.413 19.158 -1.473 1.00 0.00 H new ATOM 0 HG22 THR A 5 -11.271 19.531 0.041 1.00 0.00 H new ATOM 0 HG23 THR A 5 -10.442 17.968 -0.151 1.00 0.00 H new ATOM 72 N GLU A 6 -15.305 17.740 -1.029 1.00 0.00 N ATOM 73 CA GLU A 6 -16.574 17.366 -1.573 1.00 0.00 C ATOM 74 C GLU A 6 -16.505 16.571 -2.831 1.00 0.00 C ATOM 75 O GLU A 6 -17.303 15.707 -3.191 1.00 0.00 O ATOM 76 CB GLU A 6 -17.361 18.679 -1.725 1.00 0.00 C ATOM 77 CG GLU A 6 -18.852 18.499 -2.018 1.00 0.00 C ATOM 78 CD GLU A 6 -19.601 19.823 -2.078 1.00 0.00 C ATOM 79 OE1 GLU A 6 -19.430 20.641 -3.021 1.00 0.00 O ATOM 80 OE2 GLU A 6 -20.408 20.033 -1.134 1.00 0.00 O ATOM 0 H GLU A 6 -15.181 18.751 -0.979 1.00 0.00 H new ATOM 0 HA GLU A 6 -17.078 16.672 -0.901 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -17.252 19.260 -0.810 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -16.914 19.264 -2.529 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -18.971 17.975 -2.966 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -19.296 17.869 -1.247 1.00 0.00 H new ATOM 87 N GLU A 7 -15.442 16.883 -3.594 1.00 0.00 N ATOM 88 CA GLU A 7 -15.058 16.055 -4.695 1.00 0.00 C ATOM 89 C GLU A 7 -14.755 14.646 -4.316 1.00 0.00 C ATOM 90 O GLU A 7 -15.132 13.738 -5.056 1.00 0.00 O ATOM 91 CB GLU A 7 -13.791 16.634 -5.346 1.00 0.00 C ATOM 92 CG GLU A 7 -14.186 17.870 -6.156 1.00 0.00 C ATOM 93 CD GLU A 7 -13.097 18.613 -6.918 1.00 0.00 C ATOM 94 OE1 GLU A 7 -12.415 18.128 -7.859 1.00 0.00 O ATOM 95 OE2 GLU A 7 -12.754 19.723 -6.431 1.00 0.00 O ATOM 0 H GLU A 7 -14.852 17.703 -3.450 1.00 0.00 H new ATOM 0 HA GLU A 7 -15.913 16.044 -5.372 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -13.059 16.899 -4.583 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -13.323 15.891 -5.992 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -14.947 17.567 -6.875 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -14.656 18.578 -5.474 1.00 0.00 H new ATOM 102 N GLN A 8 -14.055 14.408 -3.192 1.00 0.00 N ATOM 103 CA GLN A 8 -13.612 13.103 -2.812 1.00 0.00 C ATOM 104 C GLN A 8 -14.653 12.278 -2.136 1.00 0.00 C ATOM 105 O GLN A 8 -14.801 11.081 -2.373 1.00 0.00 O ATOM 106 CB GLN A 8 -12.423 13.158 -1.838 1.00 0.00 C ATOM 107 CG GLN A 8 -11.175 13.696 -2.539 1.00 0.00 C ATOM 108 CD GLN A 8 -10.035 13.840 -1.541 1.00 0.00 C ATOM 109 OE1 GLN A 8 -9.977 14.701 -0.664 1.00 0.00 O ATOM 110 NE2 GLN A 8 -9.018 12.989 -1.841 1.00 0.00 N ATOM 0 H GLN A 8 -13.791 15.140 -2.532 1.00 0.00 H new ATOM 0 HA GLN A 8 -13.339 12.645 -3.763 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -12.672 13.794 -0.988 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -12.224 12.162 -1.443 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -10.881 13.022 -3.343 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -11.393 14.661 -2.996 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -9.133 12.297 -2.582 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -8.140 13.042 -1.325 1.00 0.00 H new ATOM 119 N ILE A 9 -15.615 12.886 -1.419 1.00 0.00 N ATOM 120 CA ILE A 9 -16.850 12.345 -0.944 1.00 0.00 C ATOM 121 C ILE A 9 -17.737 11.923 -2.064 1.00 0.00 C ATOM 122 O ILE A 9 -18.295 10.827 -2.051 1.00 0.00 O ATOM 123 CB ILE A 9 -17.543 13.273 0.010 1.00 0.00 C ATOM 124 CG1 ILE A 9 -16.689 13.760 1.192 1.00 0.00 C ATOM 125 CG2 ILE A 9 -18.804 12.609 0.589 1.00 0.00 C ATOM 126 CD1 ILE A 9 -17.191 14.942 2.021 1.00 0.00 C ATOM 0 H ILE A 9 -15.513 13.863 -1.144 1.00 0.00 H new ATOM 0 HA ILE A 9 -16.606 11.445 -0.379 1.00 0.00 H new ATOM 0 HB ILE A 9 -17.778 14.147 -0.597 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -16.549 12.917 1.869 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -15.705 14.023 0.803 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -19.293 13.297 1.279 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -19.489 12.360 -0.222 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -18.525 11.699 1.121 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -16.476 15.160 2.814 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -17.299 15.816 1.379 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -18.157 14.693 2.462 1.00 0.00 H new ATOM 138 N ALA A 10 -17.720 12.696 -3.165 1.00 0.00 N ATOM 139 CA ALA A 10 -18.409 12.409 -4.384 1.00 0.00 C ATOM 140 C ALA A 10 -17.887 11.317 -5.253 1.00 0.00 C ATOM 141 O ALA A 10 -18.629 10.644 -5.967 1.00 0.00 O ATOM 142 CB ALA A 10 -18.658 13.749 -5.096 1.00 0.00 C ATOM 0 H ALA A 10 -17.196 13.570 -3.206 1.00 0.00 H new ATOM 0 HA ALA A 10 -19.351 11.932 -4.112 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -19.184 13.570 -6.034 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -19.263 14.393 -4.458 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -17.704 14.235 -5.302 1.00 0.00 H new ATOM 148 N GLU A 11 -16.566 11.071 -5.200 1.00 0.00 N ATOM 149 CA GLU A 11 -15.991 9.908 -5.801 1.00 0.00 C ATOM 150 C GLU A 11 -16.245 8.702 -4.963 1.00 0.00 C ATOM 151 O GLU A 11 -16.448 7.647 -5.561 1.00 0.00 O ATOM 152 CB GLU A 11 -14.466 10.107 -5.794 1.00 0.00 C ATOM 153 CG GLU A 11 -13.844 10.965 -6.897 1.00 0.00 C ATOM 154 CD GLU A 11 -12.331 10.804 -6.939 1.00 0.00 C ATOM 155 OE1 GLU A 11 -11.843 9.692 -7.276 1.00 0.00 O ATOM 156 OE2 GLU A 11 -11.551 11.768 -6.717 1.00 0.00 O ATOM 0 H GLU A 11 -15.892 11.682 -4.738 1.00 0.00 H new ATOM 0 HA GLU A 11 -16.414 9.773 -6.797 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -14.192 10.547 -4.835 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -14.001 9.122 -5.837 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -14.268 10.684 -7.861 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -14.096 12.012 -6.731 1.00 0.00 H new ATOM 163 N PHE A 12 -16.334 8.811 -3.626 1.00 0.00 N ATOM 164 CA PHE A 12 -16.740 7.682 -2.847 1.00 0.00 C ATOM 165 C PHE A 12 -18.207 7.438 -2.935 1.00 0.00 C ATOM 166 O PHE A 12 -18.551 6.266 -2.784 1.00 0.00 O ATOM 167 CB PHE A 12 -16.237 7.811 -1.399 1.00 0.00 C ATOM 168 CG PHE A 12 -14.818 8.217 -1.195 1.00 0.00 C ATOM 169 CD1 PHE A 12 -13.791 7.980 -2.077 1.00 0.00 C ATOM 170 CD2 PHE A 12 -14.478 8.819 -0.006 1.00 0.00 C ATOM 171 CE1 PHE A 12 -12.490 8.349 -1.827 1.00 0.00 C ATOM 172 CE2 PHE A 12 -13.201 9.282 0.207 1.00 0.00 C ATOM 173 CZ PHE A 12 -12.163 8.934 -0.626 1.00 0.00 C ATOM 0 H PHE A 12 -16.131 9.657 -3.094 1.00 0.00 H new ATOM 0 HA PHE A 12 -16.272 6.793 -3.270 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -16.871 8.535 -0.887 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -16.386 6.851 -0.905 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -14.016 7.482 -3.008 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -15.222 8.929 0.769 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -11.727 8.180 -2.572 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -13.009 9.933 1.047 1.00 0.00 H new ATOM 0 HZ PHE A 12 -11.135 9.113 -0.349 1.00 0.00 H new ATOM 183 N LYS A 13 -19.046 8.482 -3.055 1.00 0.00 N ATOM 184 CA LYS A 13 -20.431 8.268 -3.341 1.00 0.00 C ATOM 185 C LYS A 13 -20.758 7.673 -4.667 1.00 0.00 C ATOM 186 O LYS A 13 -21.542 6.733 -4.796 1.00 0.00 O ATOM 187 CB LYS A 13 -21.186 9.604 -3.235 1.00 0.00 C ATOM 188 CG LYS A 13 -22.671 9.453 -3.573 1.00 0.00 C ATOM 189 CD LYS A 13 -23.504 10.704 -3.288 1.00 0.00 C ATOM 190 CE LYS A 13 -24.983 10.610 -3.670 1.00 0.00 C ATOM 191 NZ LYS A 13 -25.779 9.773 -2.744 1.00 0.00 N ATOM 0 H LYS A 13 -18.772 9.460 -2.956 1.00 0.00 H new ATOM 0 HA LYS A 13 -20.739 7.530 -2.600 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -21.083 9.999 -2.224 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -20.733 10.331 -3.909 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -22.769 9.196 -4.628 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -23.080 8.619 -3.003 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -23.435 10.931 -2.224 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -23.061 11.544 -3.823 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -25.408 11.613 -3.697 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -25.065 10.202 -4.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -26.770 9.752 -3.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -25.397 8.806 -2.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -25.730 10.173 -1.785 1.00 0.00 H new ATOM 205 N GLU A 14 -19.998 8.007 -5.725 1.00 0.00 N ATOM 206 CA GLU A 14 -20.031 7.496 -7.060 1.00 0.00 C ATOM 207 C GLU A 14 -19.545 6.088 -7.029 1.00 0.00 C ATOM 208 O GLU A 14 -20.225 5.192 -7.527 1.00 0.00 O ATOM 209 CB GLU A 14 -19.020 8.281 -7.912 1.00 0.00 C ATOM 210 CG GLU A 14 -18.928 7.819 -9.368 1.00 0.00 C ATOM 211 CD GLU A 14 -18.231 8.826 -10.271 1.00 0.00 C ATOM 212 OE1 GLU A 14 -18.744 9.952 -10.509 1.00 0.00 O ATOM 213 OE2 GLU A 14 -17.153 8.453 -10.805 1.00 0.00 O ATOM 0 H GLU A 14 -19.276 8.721 -5.629 1.00 0.00 H new ATOM 0 HA GLU A 14 -21.041 7.573 -7.462 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -19.291 9.337 -7.895 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -18.035 8.197 -7.454 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -18.392 6.871 -9.409 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -19.933 7.633 -9.748 1.00 0.00 H new ATOM 220 N ALA A 15 -18.391 5.793 -6.405 1.00 0.00 N ATOM 221 CA ALA A 15 -17.879 4.466 -6.255 1.00 0.00 C ATOM 222 C ALA A 15 -18.848 3.617 -5.507 1.00 0.00 C ATOM 223 O ALA A 15 -19.116 2.464 -5.842 1.00 0.00 O ATOM 224 CB ALA A 15 -16.565 4.515 -5.456 1.00 0.00 C ATOM 0 H ALA A 15 -17.791 6.506 -5.989 1.00 0.00 H new ATOM 0 HA ALA A 15 -17.712 4.044 -7.246 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -16.172 3.505 -5.340 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -15.838 5.128 -5.988 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -16.753 4.947 -4.473 1.00 0.00 H new ATOM 230 N PHE A 16 -19.588 4.186 -4.540 1.00 0.00 N ATOM 231 CA PHE A 16 -20.584 3.553 -3.732 1.00 0.00 C ATOM 232 C PHE A 16 -21.724 3.170 -4.612 1.00 0.00 C ATOM 233 O PHE A 16 -22.207 2.039 -4.572 1.00 0.00 O ATOM 234 CB PHE A 16 -21.156 4.471 -2.639 1.00 0.00 C ATOM 235 CG PHE A 16 -21.840 3.724 -1.546 1.00 0.00 C ATOM 236 CD1 PHE A 16 -23.005 3.018 -1.740 1.00 0.00 C ATOM 237 CD2 PHE A 16 -21.324 3.713 -0.272 1.00 0.00 C ATOM 238 CE1 PHE A 16 -23.615 2.348 -0.707 1.00 0.00 C ATOM 239 CE2 PHE A 16 -21.927 3.076 0.787 1.00 0.00 C ATOM 240 CZ PHE A 16 -23.095 2.385 0.566 1.00 0.00 C ATOM 0 H PHE A 16 -19.479 5.172 -4.304 1.00 0.00 H new ATOM 0 HA PHE A 16 -20.105 2.702 -3.248 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -20.348 5.066 -2.214 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -21.862 5.168 -3.091 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -23.449 2.990 -2.724 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -20.394 4.233 -0.093 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -24.516 1.784 -0.897 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -21.491 3.118 1.774 1.00 0.00 H new ATOM 0 HZ PHE A 16 -23.596 1.880 1.378 1.00 0.00 H new ATOM 250 N SER A 17 -22.162 3.931 -5.630 1.00 0.00 N ATOM 251 CA SER A 17 -23.397 3.747 -6.327 1.00 0.00 C ATOM 252 C SER A 17 -23.102 2.762 -7.405 1.00 0.00 C ATOM 253 O SER A 17 -24.031 2.101 -7.867 1.00 0.00 O ATOM 254 CB SER A 17 -24.052 5.066 -6.770 1.00 0.00 C ATOM 255 OG SER A 17 -25.303 4.841 -7.403 1.00 0.00 O ATOM 0 H SER A 17 -21.623 4.720 -5.987 1.00 0.00 H new ATOM 0 HA SER A 17 -24.179 3.347 -5.682 1.00 0.00 H new ATOM 0 HB2 SER A 17 -24.193 5.712 -5.903 1.00 0.00 H new ATOM 0 HB3 SER A 17 -23.386 5.592 -7.455 1.00 0.00 H new ATOM 0 HG SER A 17 -25.693 5.699 -7.671 1.00 0.00 H new ATOM 261 N LEU A 18 -21.847 2.471 -7.790 1.00 0.00 N ATOM 262 CA LEU A 18 -21.464 1.422 -8.683 1.00 0.00 C ATOM 263 C LEU A 18 -21.360 0.162 -7.895 1.00 0.00 C ATOM 264 O LEU A 18 -21.542 -0.921 -8.450 1.00 0.00 O ATOM 265 CB LEU A 18 -20.138 1.650 -9.430 1.00 0.00 C ATOM 266 CG LEU A 18 -20.148 2.918 -10.300 1.00 0.00 C ATOM 267 CD1 LEU A 18 -18.707 3.165 -10.775 1.00 0.00 C ATOM 268 CD2 LEU A 18 -21.007 2.861 -11.575 1.00 0.00 C ATOM 0 H LEU A 18 -21.046 3.006 -7.454 1.00 0.00 H new ATOM 0 HA LEU A 18 -22.232 1.380 -9.456 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -19.327 1.720 -8.705 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -19.929 0.785 -10.060 1.00 0.00 H new ATOM 0 HG LEU A 18 -20.575 3.695 -9.666 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -18.677 4.060 -11.397 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -18.057 3.302 -9.911 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -18.363 2.309 -11.355 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -20.935 3.811 -12.105 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -20.649 2.058 -12.219 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -22.046 2.674 -11.305 1.00 0.00 H new ATOM 280 N PHE A 19 -21.078 0.188 -6.580 1.00 0.00 N ATOM 281 CA PHE A 19 -20.957 -0.936 -5.705 1.00 0.00 C ATOM 282 C PHE A 19 -22.288 -1.545 -5.427 1.00 0.00 C ATOM 283 O PHE A 19 -22.669 -2.676 -5.725 1.00 0.00 O ATOM 284 CB PHE A 19 -20.300 -0.676 -4.339 1.00 0.00 C ATOM 285 CG PHE A 19 -18.829 -0.904 -4.399 1.00 0.00 C ATOM 286 CD1 PHE A 19 -18.296 -2.099 -4.821 1.00 0.00 C ATOM 287 CD2 PHE A 19 -17.976 0.091 -3.983 1.00 0.00 C ATOM 288 CE1 PHE A 19 -16.953 -2.161 -5.107 1.00 0.00 C ATOM 289 CE2 PHE A 19 -16.629 0.018 -4.249 1.00 0.00 C ATOM 290 CZ PHE A 19 -16.108 -1.110 -4.839 1.00 0.00 C ATOM 0 H PHE A 19 -20.922 1.069 -6.090 1.00 0.00 H new ATOM 0 HA PHE A 19 -20.292 -1.595 -6.263 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -20.500 0.349 -4.025 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -20.742 -1.331 -3.589 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -18.921 -2.973 -4.926 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -18.368 0.939 -3.441 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -16.551 -3.058 -5.554 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -15.982 0.844 -3.995 1.00 0.00 H new ATOM 0 HZ PHE A 19 -15.058 -1.169 -5.086 1.00 0.00 H new ATOM 300 N ASP A 20 -23.221 -0.706 -4.942 1.00 0.00 N ATOM 301 CA ASP A 20 -24.548 -1.118 -4.606 1.00 0.00 C ATOM 302 C ASP A 20 -25.410 -1.376 -5.794 1.00 0.00 C ATOM 303 O ASP A 20 -25.684 -0.558 -6.670 1.00 0.00 O ATOM 304 CB ASP A 20 -25.268 -0.033 -3.787 1.00 0.00 C ATOM 305 CG ASP A 20 -26.434 -0.574 -2.971 1.00 0.00 C ATOM 306 OD1 ASP A 20 -26.970 -1.700 -3.153 1.00 0.00 O ATOM 307 OD2 ASP A 20 -26.909 0.249 -2.144 1.00 0.00 O ATOM 0 H ASP A 20 -23.047 0.286 -4.779 1.00 0.00 H new ATOM 0 HA ASP A 20 -24.415 -2.042 -4.043 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -24.552 0.442 -3.116 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -25.633 0.741 -4.462 1.00 0.00 H new ATOM 312 N LYS A 21 -25.825 -2.650 -5.904 1.00 0.00 N ATOM 313 CA LYS A 21 -26.586 -3.185 -6.991 1.00 0.00 C ATOM 314 C LYS A 21 -28.002 -2.724 -7.011 1.00 0.00 C ATOM 315 O LYS A 21 -28.580 -2.105 -7.903 1.00 0.00 O ATOM 316 CB LYS A 21 -26.526 -4.721 -6.956 1.00 0.00 C ATOM 317 CG LYS A 21 -25.212 -5.287 -7.499 1.00 0.00 C ATOM 318 CD LYS A 21 -25.148 -6.784 -7.807 1.00 0.00 C ATOM 319 CE LYS A 21 -26.065 -7.206 -8.957 1.00 0.00 C ATOM 320 NZ LYS A 21 -25.626 -6.724 -10.286 1.00 0.00 N ATOM 0 H LYS A 21 -25.617 -3.349 -5.191 1.00 0.00 H new ATOM 0 HA LYS A 21 -26.133 -2.809 -7.908 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -26.663 -5.060 -5.929 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -27.355 -5.124 -7.538 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -24.969 -4.747 -8.414 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -24.427 -5.061 -6.777 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -24.121 -7.053 -8.053 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -25.419 -7.344 -6.912 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -26.126 -8.294 -8.979 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -27.071 -6.834 -8.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -26.296 -7.049 -11.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -25.594 -5.684 -10.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -24.679 -7.099 -10.496 1.00 0.00 H new ATOM 334 N ASP A 22 -28.686 -2.858 -5.861 1.00 0.00 N ATOM 335 CA ASP A 22 -30.023 -2.458 -5.548 1.00 0.00 C ATOM 336 C ASP A 22 -30.195 -0.984 -5.414 1.00 0.00 C ATOM 337 O ASP A 22 -31.268 -0.476 -5.734 1.00 0.00 O ATOM 338 CB ASP A 22 -30.560 -3.138 -4.277 1.00 0.00 C ATOM 339 CG ASP A 22 -29.880 -4.476 -4.023 1.00 0.00 C ATOM 340 OD1 ASP A 22 -28.677 -4.535 -3.655 1.00 0.00 O ATOM 341 OD2 ASP A 22 -30.589 -5.518 -4.008 1.00 0.00 O ATOM 0 H ASP A 22 -28.245 -3.301 -5.055 1.00 0.00 H new ATOM 0 HA ASP A 22 -30.604 -2.788 -6.409 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -30.404 -2.482 -3.420 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -31.635 -3.289 -4.372 1.00 0.00 H new ATOM 346 N GLY A 23 -29.150 -0.330 -4.876 1.00 0.00 N ATOM 347 CA GLY A 23 -29.321 1.018 -4.432 1.00 0.00 C ATOM 348 C GLY A 23 -30.105 1.086 -3.166 1.00 0.00 C ATOM 349 O GLY A 23 -30.841 2.034 -2.897 1.00 0.00 O ATOM 0 H GLY A 23 -28.215 -0.719 -4.751 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -28.344 1.478 -4.280 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -29.828 1.594 -5.206 1.00 0.00 H new ATOM 353 N ASP A 24 -29.980 0.048 -2.320 1.00 0.00 N ATOM 354 CA ASP A 24 -30.626 0.072 -1.045 1.00 0.00 C ATOM 355 C ASP A 24 -29.956 0.968 -0.061 1.00 0.00 C ATOM 356 O ASP A 24 -30.601 1.228 0.953 1.00 0.00 O ATOM 357 CB ASP A 24 -30.858 -1.377 -0.586 1.00 0.00 C ATOM 358 CG ASP A 24 -29.573 -2.158 -0.352 1.00 0.00 C ATOM 359 OD1 ASP A 24 -29.074 -2.778 -1.328 1.00 0.00 O ATOM 360 OD2 ASP A 24 -28.992 -2.075 0.763 1.00 0.00 O ATOM 0 H ASP A 24 -29.440 -0.796 -2.514 1.00 0.00 H new ATOM 0 HA ASP A 24 -31.607 0.539 -1.133 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -31.440 -1.368 0.335 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -31.456 -1.895 -1.336 1.00 0.00 H new ATOM 365 N GLY A 25 -28.723 1.460 -0.277 1.00 0.00 N ATOM 366 CA GLY A 25 -28.055 2.329 0.641 1.00 0.00 C ATOM 367 C GLY A 25 -26.965 1.565 1.312 1.00 0.00 C ATOM 368 O GLY A 25 -26.202 2.151 2.078 1.00 0.00 O ATOM 0 H GLY A 25 -28.176 1.248 -1.112 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -27.644 3.191 0.115 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -28.759 2.712 1.380 1.00 0.00 H new ATOM 372 N THR A 26 -26.821 0.252 1.059 1.00 0.00 N ATOM 373 CA THR A 26 -25.749 -0.446 1.699 1.00 0.00 C ATOM 374 C THR A 26 -25.138 -1.439 0.771 1.00 0.00 C ATOM 375 O THR A 26 -25.728 -1.825 -0.237 1.00 0.00 O ATOM 376 CB THR A 26 -26.149 -1.132 2.972 1.00 0.00 C ATOM 377 OG1 THR A 26 -27.062 -2.198 2.757 1.00 0.00 O ATOM 378 CG2 THR A 26 -26.743 -0.133 3.978 1.00 0.00 C ATOM 0 H THR A 26 -27.414 -0.305 0.443 1.00 0.00 H new ATOM 0 HA THR A 26 -25.020 0.319 1.966 1.00 0.00 H new ATOM 0 HB THR A 26 -25.235 -1.559 3.386 1.00 0.00 H new ATOM 0 HG1 THR A 26 -27.662 -1.970 2.017 1.00 0.00 H new ATOM 0 HG21 THR A 26 -27.024 -0.659 4.891 1.00 0.00 H new ATOM 0 HG22 THR A 26 -26.002 0.631 4.213 1.00 0.00 H new ATOM 0 HG23 THR A 26 -27.625 0.338 3.545 1.00 0.00 H new ATOM 386 N ILE A 27 -23.850 -1.733 1.022 1.00 0.00 N ATOM 387 CA ILE A 27 -23.027 -2.585 0.222 1.00 0.00 C ATOM 388 C ILE A 27 -22.789 -3.855 0.964 1.00 0.00 C ATOM 389 O ILE A 27 -22.222 -3.890 2.055 1.00 0.00 O ATOM 390 CB ILE A 27 -21.730 -2.025 -0.283 1.00 0.00 C ATOM 391 CG1 ILE A 27 -21.646 -0.523 -0.603 1.00 0.00 C ATOM 392 CG2 ILE A 27 -21.124 -2.840 -1.438 1.00 0.00 C ATOM 393 CD1 ILE A 27 -20.173 -0.117 -0.625 1.00 0.00 C ATOM 0 H ILE A 27 -23.356 -1.354 1.830 1.00 0.00 H new ATOM 0 HA ILE A 27 -23.597 -2.734 -0.695 1.00 0.00 H new ATOM 0 HB ILE A 27 -21.127 -2.131 0.619 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -22.112 -0.314 -1.566 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -22.188 0.055 0.145 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -20.188 -2.381 -1.755 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -20.933 -3.859 -1.103 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -21.821 -2.858 -2.275 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -20.092 0.946 -0.851 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -19.726 -0.316 0.349 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -19.649 -0.691 -1.389 1.00 0.00 H new ATOM 405 N THR A 28 -22.982 -5.017 0.314 1.00 0.00 N ATOM 406 CA THR A 28 -22.763 -6.319 0.861 1.00 0.00 C ATOM 407 C THR A 28 -21.400 -6.819 0.525 1.00 0.00 C ATOM 408 O THR A 28 -20.713 -6.320 -0.366 1.00 0.00 O ATOM 409 CB THR A 28 -23.702 -7.352 0.313 1.00 0.00 C ATOM 410 OG1 THR A 28 -23.729 -7.436 -1.105 1.00 0.00 O ATOM 411 CG2 THR A 28 -25.165 -7.147 0.740 1.00 0.00 C ATOM 0 H THR A 28 -23.311 -5.048 -0.651 1.00 0.00 H new ATOM 0 HA THR A 28 -22.912 -6.194 1.934 1.00 0.00 H new ATOM 0 HB THR A 28 -23.289 -8.267 0.739 1.00 0.00 H new ATOM 0 HG1 THR A 28 -24.557 -7.876 -1.391 1.00 0.00 H new ATOM 0 HG21 THR A 28 -25.784 -7.932 0.305 1.00 0.00 H new ATOM 0 HG22 THR A 28 -25.236 -7.189 1.827 1.00 0.00 H new ATOM 0 HG23 THR A 28 -25.513 -6.175 0.391 1.00 0.00 H new ATOM 419 N THR A 29 -21.013 -7.932 1.174 1.00 0.00 N ATOM 420 CA THR A 29 -19.917 -8.698 0.668 1.00 0.00 C ATOM 421 C THR A 29 -19.867 -9.151 -0.751 1.00 0.00 C ATOM 422 O THR A 29 -18.752 -9.286 -1.251 1.00 0.00 O ATOM 423 CB THR A 29 -19.552 -9.892 1.500 1.00 0.00 C ATOM 424 OG1 THR A 29 -20.719 -10.610 1.872 1.00 0.00 O ATOM 425 CG2 THR A 29 -18.904 -9.386 2.800 1.00 0.00 C ATOM 0 H THR A 29 -21.444 -8.294 2.025 1.00 0.00 H new ATOM 0 HA THR A 29 -19.204 -7.876 0.732 1.00 0.00 H new ATOM 0 HB THR A 29 -18.884 -10.534 0.927 1.00 0.00 H new ATOM 0 HG1 THR A 29 -20.466 -11.387 2.413 1.00 0.00 H new ATOM 0 HG21 THR A 29 -18.629 -10.236 3.424 1.00 0.00 H new ATOM 0 HG22 THR A 29 -18.012 -8.808 2.561 1.00 0.00 H new ATOM 0 HG23 THR A 29 -19.612 -8.755 3.338 1.00 0.00 H new ATOM 433 N LYS A 30 -21.006 -9.604 -1.304 1.00 0.00 N ATOM 434 CA LYS A 30 -21.148 -9.967 -2.680 1.00 0.00 C ATOM 435 C LYS A 30 -20.936 -8.843 -3.635 1.00 0.00 C ATOM 436 O LYS A 30 -20.284 -8.946 -4.673 1.00 0.00 O ATOM 437 CB LYS A 30 -22.377 -10.818 -3.042 1.00 0.00 C ATOM 438 CG LYS A 30 -23.723 -10.360 -2.476 1.00 0.00 C ATOM 439 CD LYS A 30 -24.957 -11.246 -2.659 1.00 0.00 C ATOM 440 CE LYS A 30 -26.125 -10.488 -2.025 1.00 0.00 C ATOM 441 NZ LYS A 30 -27.372 -11.284 -2.044 1.00 0.00 N ATOM 0 H LYS A 30 -21.866 -9.723 -0.768 1.00 0.00 H new ATOM 0 HA LYS A 30 -20.309 -10.651 -2.809 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -22.459 -10.852 -4.128 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -22.196 -11.838 -2.704 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -23.590 -10.201 -1.406 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -23.950 -9.389 -2.917 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -25.145 -11.438 -3.715 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -24.815 -12.215 -2.179 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -25.875 -10.229 -0.996 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -26.283 -9.551 -2.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -28.140 -10.737 -1.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -27.625 -11.510 -3.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -27.229 -12.166 -1.512 1.00 0.00 H new ATOM 455 N GLU A 31 -21.486 -7.642 -3.385 1.00 0.00 N ATOM 456 CA GLU A 31 -21.299 -6.430 -4.121 1.00 0.00 C ATOM 457 C GLU A 31 -19.892 -5.944 -4.175 1.00 0.00 C ATOM 458 O GLU A 31 -19.471 -5.413 -5.201 1.00 0.00 O ATOM 459 CB GLU A 31 -22.302 -5.392 -3.589 1.00 0.00 C ATOM 460 CG GLU A 31 -23.713 -5.916 -3.863 1.00 0.00 C ATOM 461 CD GLU A 31 -24.687 -5.024 -3.106 1.00 0.00 C ATOM 462 OE1 GLU A 31 -24.684 -4.920 -1.851 1.00 0.00 O ATOM 463 OE2 GLU A 31 -25.607 -4.533 -3.813 1.00 0.00 O ATOM 0 H GLU A 31 -22.119 -7.509 -2.596 1.00 0.00 H new ATOM 0 HA GLU A 31 -21.506 -6.626 -5.173 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -22.155 -5.233 -2.521 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -22.151 -4.430 -4.079 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -23.928 -5.898 -4.931 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -23.808 -6.951 -3.536 1.00 0.00 H new ATOM 470 N LEU A 32 -19.046 -6.224 -3.166 1.00 0.00 N ATOM 471 CA LEU A 32 -17.639 -5.975 -3.128 1.00 0.00 C ATOM 472 C LEU A 32 -17.018 -7.037 -3.968 1.00 0.00 C ATOM 473 O LEU A 32 -16.312 -6.584 -4.868 1.00 0.00 O ATOM 474 CB LEU A 32 -17.071 -6.024 -1.699 1.00 0.00 C ATOM 475 CG LEU A 32 -17.216 -4.762 -0.832 1.00 0.00 C ATOM 476 CD1 LEU A 32 -17.042 -5.221 0.626 1.00 0.00 C ATOM 477 CD2 LEU A 32 -16.169 -3.652 -1.020 1.00 0.00 C ATOM 0 H LEU A 32 -19.377 -6.661 -2.306 1.00 0.00 H new ATOM 0 HA LEU A 32 -17.423 -4.972 -3.497 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -17.552 -6.849 -1.174 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -16.010 -6.265 -1.767 1.00 0.00 H new ATOM 0 HG LEU A 32 -18.177 -4.333 -1.115 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -17.135 -4.363 1.291 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -17.810 -5.955 0.871 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -16.057 -5.671 0.751 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -16.392 -2.824 -0.347 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -15.178 -4.045 -0.795 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -16.194 -3.299 -2.051 1.00 0.00 H new ATOM 489 N GLY A 33 -17.271 -8.319 -3.647 1.00 0.00 N ATOM 490 CA GLY A 33 -16.657 -9.426 -4.312 1.00 0.00 C ATOM 491 C GLY A 33 -16.818 -9.457 -5.793 1.00 0.00 C ATOM 492 O GLY A 33 -15.935 -9.855 -6.551 1.00 0.00 O ATOM 0 H GLY A 33 -17.918 -8.592 -2.907 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -15.592 -9.421 -4.080 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -17.068 -10.348 -3.900 1.00 0.00 H new ATOM 496 N THR A 34 -17.957 -9.006 -6.347 1.00 0.00 N ATOM 497 CA THR A 34 -18.226 -8.984 -7.751 1.00 0.00 C ATOM 498 C THR A 34 -17.470 -7.959 -8.524 1.00 0.00 C ATOM 499 O THR A 34 -16.816 -8.267 -9.519 1.00 0.00 O ATOM 500 CB THR A 34 -19.688 -8.737 -7.981 1.00 0.00 C ATOM 501 OG1 THR A 34 -20.345 -9.751 -7.234 1.00 0.00 O ATOM 502 CG2 THR A 34 -20.010 -8.920 -9.473 1.00 0.00 C ATOM 0 H THR A 34 -18.728 -8.639 -5.789 1.00 0.00 H new ATOM 0 HA THR A 34 -17.901 -9.960 -8.112 1.00 0.00 H new ATOM 0 HB THR A 34 -19.993 -7.732 -7.688 1.00 0.00 H new ATOM 0 HG1 THR A 34 -20.521 -9.427 -6.326 1.00 0.00 H new ATOM 0 HG21 THR A 34 -21.072 -8.741 -9.641 1.00 0.00 H new ATOM 0 HG22 THR A 34 -19.425 -8.212 -10.061 1.00 0.00 H new ATOM 0 HG23 THR A 34 -19.761 -9.937 -9.777 1.00 0.00 H new ATOM 510 N VAL A 35 -17.378 -6.760 -7.921 1.00 0.00 N ATOM 511 CA VAL A 35 -16.648 -5.715 -8.569 1.00 0.00 C ATOM 512 C VAL A 35 -15.194 -5.902 -8.303 1.00 0.00 C ATOM 513 O VAL A 35 -14.424 -5.484 -9.166 1.00 0.00 O ATOM 514 CB VAL A 35 -17.103 -4.317 -8.274 1.00 0.00 C ATOM 515 CG1 VAL A 35 -16.205 -3.227 -8.882 1.00 0.00 C ATOM 516 CG2 VAL A 35 -18.543 -4.232 -8.808 1.00 0.00 C ATOM 0 H VAL A 35 -17.791 -6.519 -7.020 1.00 0.00 H new ATOM 0 HA VAL A 35 -16.856 -5.813 -9.634 1.00 0.00 H new ATOM 0 HB VAL A 35 -17.047 -4.125 -7.202 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -16.600 -2.244 -8.624 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -15.194 -3.326 -8.487 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -16.183 -3.336 -9.966 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -18.940 -3.234 -8.626 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -18.546 -4.434 -9.879 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -19.164 -4.968 -8.298 1.00 0.00 H new ATOM 526 N MET A 36 -14.776 -6.589 -7.225 1.00 0.00 N ATOM 527 CA MET A 36 -13.440 -7.060 -7.029 1.00 0.00 C ATOM 528 C MET A 36 -12.900 -7.902 -8.133 1.00 0.00 C ATOM 529 O MET A 36 -11.784 -7.779 -8.636 1.00 0.00 O ATOM 530 CB MET A 36 -13.407 -7.629 -5.601 1.00 0.00 C ATOM 531 CG MET A 36 -13.234 -6.586 -4.494 1.00 0.00 C ATOM 532 SD MET A 36 -13.559 -7.402 -2.902 1.00 0.00 S ATOM 533 CE MET A 36 -13.322 -6.090 -1.669 1.00 0.00 C ATOM 0 H MET A 36 -15.399 -6.827 -6.454 1.00 0.00 H new ATOM 0 HA MET A 36 -12.709 -6.255 -7.096 1.00 0.00 H new ATOM 0 HB2 MET A 36 -14.332 -8.176 -5.422 1.00 0.00 H new ATOM 0 HB3 MET A 36 -12.592 -8.349 -5.532 1.00 0.00 H new ATOM 0 HG2 MET A 36 -12.225 -6.174 -4.513 1.00 0.00 H new ATOM 0 HG3 MET A 36 -13.921 -5.753 -4.643 1.00 0.00 H new ATOM 0 HE1 MET A 36 -13.939 -6.297 -0.794 1.00 0.00 H new ATOM 0 HE2 MET A 36 -12.273 -6.054 -1.373 1.00 0.00 H new ATOM 0 HE3 MET A 36 -13.612 -5.131 -2.098 1.00 0.00 H new ATOM 543 N ARG A 37 -13.741 -8.836 -8.611 1.00 0.00 N ATOM 544 CA ARG A 37 -13.392 -9.674 -9.716 1.00 0.00 C ATOM 545 C ARG A 37 -13.299 -8.978 -11.030 1.00 0.00 C ATOM 546 O ARG A 37 -12.500 -9.308 -11.906 1.00 0.00 O ATOM 547 CB ARG A 37 -14.473 -10.756 -9.876 1.00 0.00 C ATOM 548 CG ARG A 37 -14.561 -11.832 -8.791 1.00 0.00 C ATOM 549 CD ARG A 37 -13.233 -12.527 -8.487 1.00 0.00 C ATOM 550 NE ARG A 37 -13.544 -13.523 -7.424 1.00 0.00 N ATOM 551 CZ ARG A 37 -12.643 -14.524 -7.200 1.00 0.00 C ATOM 552 NH1 ARG A 37 -11.555 -14.704 -8.004 1.00 0.00 N ATOM 553 NH2 ARG A 37 -12.958 -15.519 -6.320 1.00 0.00 N ATOM 0 H ARG A 37 -14.670 -9.012 -8.229 1.00 0.00 H new ATOM 0 HA ARG A 37 -12.403 -10.065 -9.477 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -15.441 -10.258 -9.936 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -14.311 -11.254 -10.832 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -14.938 -11.378 -7.875 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -15.289 -12.583 -9.098 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -12.831 -13.013 -9.376 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -12.483 -11.812 -8.148 1.00 0.00 H new ATOM 0 HE ARG A 37 -14.404 -13.459 -6.880 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -11.398 -14.082 -8.797 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -10.899 -15.461 -7.812 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -13.857 -15.509 -5.839 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -12.294 -16.273 -6.143 1.00 0.00 H new ATOM 567 N SER A 38 -14.147 -7.959 -11.256 1.00 0.00 N ATOM 568 CA SER A 38 -14.029 -7.162 -12.438 1.00 0.00 C ATOM 569 C SER A 38 -12.855 -6.245 -12.434 1.00 0.00 C ATOM 570 O SER A 38 -12.493 -5.565 -13.392 1.00 0.00 O ATOM 571 CB SER A 38 -15.270 -6.329 -12.799 1.00 0.00 C ATOM 572 OG SER A 38 -16.426 -7.143 -12.931 1.00 0.00 O ATOM 0 H SER A 38 -14.905 -7.689 -10.630 1.00 0.00 H new ATOM 0 HA SER A 38 -13.899 -7.931 -13.199 1.00 0.00 H new ATOM 0 HB2 SER A 38 -15.440 -5.576 -12.029 1.00 0.00 H new ATOM 0 HB3 SER A 38 -15.092 -5.795 -13.733 1.00 0.00 H new ATOM 0 HG SER A 38 -17.197 -6.582 -13.159 1.00 0.00 H new ATOM 578 N LEU A 39 -12.174 -6.097 -11.283 1.00 0.00 N ATOM 579 CA LEU A 39 -10.868 -5.517 -11.226 1.00 0.00 C ATOM 580 C LEU A 39 -9.746 -6.492 -11.330 1.00 0.00 C ATOM 581 O LEU A 39 -8.565 -6.162 -11.233 1.00 0.00 O ATOM 582 CB LEU A 39 -10.736 -4.681 -9.942 1.00 0.00 C ATOM 583 CG LEU A 39 -11.634 -3.435 -10.017 1.00 0.00 C ATOM 584 CD1 LEU A 39 -11.771 -2.750 -8.647 1.00 0.00 C ATOM 585 CD2 LEU A 39 -11.030 -2.427 -11.010 1.00 0.00 C ATOM 0 H LEU A 39 -12.538 -6.386 -10.375 1.00 0.00 H new ATOM 0 HA LEU A 39 -10.777 -4.887 -12.111 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -11.013 -5.285 -9.078 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -9.698 -4.381 -9.802 1.00 0.00 H new ATOM 0 HG LEU A 39 -12.622 -3.758 -10.345 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -12.413 -1.874 -8.741 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -12.211 -3.447 -7.934 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -10.787 -2.443 -8.294 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -11.666 -1.543 -11.064 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -10.034 -2.137 -10.674 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -10.961 -2.885 -11.997 1.00 0.00 H new ATOM 597 N GLY A 40 -10.064 -7.776 -11.575 1.00 0.00 N ATOM 598 CA GLY A 40 -9.151 -8.874 -11.501 1.00 0.00 C ATOM 599 C GLY A 40 -8.625 -9.237 -10.155 1.00 0.00 C ATOM 600 O GLY A 40 -7.669 -9.993 -9.993 1.00 0.00 O ATOM 0 H GLY A 40 -11.007 -8.062 -11.838 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -9.645 -9.752 -11.918 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -8.301 -8.650 -12.146 1.00 0.00 H new ATOM 604 N GLN A 41 -9.243 -8.893 -9.011 1.00 0.00 N ATOM 605 CA GLN A 41 -8.893 -9.199 -7.659 1.00 0.00 C ATOM 606 C GLN A 41 -9.261 -10.607 -7.337 1.00 0.00 C ATOM 607 O GLN A 41 -10.070 -11.282 -7.972 1.00 0.00 O ATOM 608 CB GLN A 41 -9.540 -8.280 -6.609 1.00 0.00 C ATOM 609 CG GLN A 41 -8.812 -6.934 -6.622 1.00 0.00 C ATOM 610 CD GLN A 41 -9.368 -6.107 -5.471 1.00 0.00 C ATOM 611 OE1 GLN A 41 -9.796 -6.558 -4.410 1.00 0.00 O ATOM 612 NE2 GLN A 41 -9.420 -4.780 -5.767 1.00 0.00 N ATOM 0 H GLN A 41 -10.093 -8.330 -9.043 1.00 0.00 H new ATOM 0 HA GLN A 41 -7.816 -9.042 -7.604 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -10.598 -8.140 -6.830 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -9.478 -8.734 -5.620 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -7.737 -7.077 -6.508 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -8.967 -6.423 -7.572 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -9.055 -4.441 -6.657 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -9.824 -4.124 -5.099 1.00 0.00 H new ATOM 621 N ASN A 42 -8.667 -11.052 -6.216 1.00 0.00 N ATOM 622 CA ASN A 42 -9.036 -12.322 -5.671 1.00 0.00 C ATOM 623 C ASN A 42 -9.570 -12.145 -4.291 1.00 0.00 C ATOM 624 O ASN A 42 -8.925 -12.304 -3.255 1.00 0.00 O ATOM 625 CB ASN A 42 -7.745 -13.155 -5.616 1.00 0.00 C ATOM 626 CG ASN A 42 -7.224 -13.311 -7.037 1.00 0.00 C ATOM 627 OD1 ASN A 42 -7.912 -13.833 -7.913 1.00 0.00 O ATOM 628 ND2 ASN A 42 -5.985 -12.814 -7.300 1.00 0.00 N ATOM 0 H ASN A 42 -7.948 -10.548 -5.697 1.00 0.00 H new ATOM 0 HA ASN A 42 -9.804 -12.805 -6.275 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -7.001 -12.663 -4.989 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -7.940 -14.131 -5.173 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -5.603 -12.869 -8.244 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -5.438 -12.387 -6.553 1.00 0.00 H new ATOM 635 N PRO A 43 -10.818 -11.857 -4.067 1.00 0.00 N ATOM 636 CA PRO A 43 -11.365 -12.016 -2.751 1.00 0.00 C ATOM 637 C PRO A 43 -11.552 -13.464 -2.452 1.00 0.00 C ATOM 638 O PRO A 43 -11.726 -14.318 -3.320 1.00 0.00 O ATOM 639 CB PRO A 43 -12.669 -11.225 -2.835 1.00 0.00 C ATOM 640 CG PRO A 43 -13.073 -11.289 -4.317 1.00 0.00 C ATOM 641 CD PRO A 43 -11.712 -11.230 -5.028 1.00 0.00 C ATOM 0 HA PRO A 43 -10.735 -11.655 -1.938 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -13.438 -11.661 -2.196 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -12.529 -10.195 -2.507 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -13.616 -12.205 -4.552 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -13.716 -10.456 -4.600 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -11.728 -11.767 -5.976 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -11.415 -10.205 -5.248 1.00 0.00 H new ATOM 649 N THR A 44 -11.644 -13.892 -1.181 1.00 0.00 N ATOM 650 CA THR A 44 -12.345 -15.085 -0.821 1.00 0.00 C ATOM 651 C THR A 44 -13.452 -14.600 0.051 1.00 0.00 C ATOM 652 O THR A 44 -13.381 -13.459 0.505 1.00 0.00 O ATOM 653 CB THR A 44 -11.600 -16.220 -0.183 1.00 0.00 C ATOM 654 OG1 THR A 44 -11.101 -15.813 1.083 1.00 0.00 O ATOM 655 CG2 THR A 44 -10.486 -16.671 -1.142 1.00 0.00 C ATOM 0 H THR A 44 -11.225 -13.402 -0.390 1.00 0.00 H new ATOM 0 HA THR A 44 -12.643 -15.577 -1.747 1.00 0.00 H new ATOM 0 HB THR A 44 -12.257 -17.071 -0.004 1.00 0.00 H new ATOM 0 HG1 THR A 44 -10.616 -16.557 1.498 1.00 0.00 H new ATOM 0 HG21 THR A 44 -9.933 -17.497 -0.694 1.00 0.00 H new ATOM 0 HG22 THR A 44 -10.927 -16.998 -2.084 1.00 0.00 H new ATOM 0 HG23 THR A 44 -9.807 -15.839 -1.329 1.00 0.00 H new ATOM 663 N GLU A 45 -14.493 -15.414 0.296 1.00 0.00 N ATOM 664 CA GLU A 45 -15.583 -15.121 1.174 1.00 0.00 C ATOM 665 C GLU A 45 -15.213 -14.911 2.602 1.00 0.00 C ATOM 666 O GLU A 45 -15.776 -14.045 3.270 1.00 0.00 O ATOM 667 CB GLU A 45 -16.633 -16.233 1.006 1.00 0.00 C ATOM 668 CG GLU A 45 -17.050 -16.567 -0.428 1.00 0.00 C ATOM 669 CD GLU A 45 -18.204 -17.555 -0.525 1.00 0.00 C ATOM 670 OE1 GLU A 45 -18.173 -18.602 0.175 1.00 0.00 O ATOM 671 OE2 GLU A 45 -19.227 -17.304 -1.216 1.00 0.00 O ATOM 0 H GLU A 45 -14.579 -16.330 -0.144 1.00 0.00 H new ATOM 0 HA GLU A 45 -15.987 -14.151 0.884 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -16.246 -17.141 1.469 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -17.525 -15.947 1.563 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -17.331 -15.645 -0.937 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -16.190 -16.975 -0.959 1.00 0.00 H new ATOM 678 N ALA A 46 -14.148 -15.635 2.989 1.00 0.00 N ATOM 679 CA ALA A 46 -13.331 -15.461 4.149 1.00 0.00 C ATOM 680 C ALA A 46 -12.707 -14.125 4.362 1.00 0.00 C ATOM 681 O ALA A 46 -12.947 -13.402 5.328 1.00 0.00 O ATOM 682 CB ALA A 46 -12.316 -16.574 4.458 1.00 0.00 C ATOM 0 H ALA A 46 -13.828 -16.425 2.428 1.00 0.00 H new ATOM 0 HA ALA A 46 -14.130 -15.542 4.886 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -11.761 -16.320 5.361 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -12.844 -17.516 4.609 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -11.623 -16.676 3.623 1.00 0.00 H new ATOM 688 N GLU A 47 -11.850 -13.670 3.429 1.00 0.00 N ATOM 689 CA GLU A 47 -11.322 -12.342 3.394 1.00 0.00 C ATOM 690 C GLU A 47 -12.293 -11.220 3.255 1.00 0.00 C ATOM 691 O GLU A 47 -12.122 -10.088 3.703 1.00 0.00 O ATOM 692 CB GLU A 47 -10.166 -12.268 2.382 1.00 0.00 C ATOM 693 CG GLU A 47 -8.944 -13.187 2.422 1.00 0.00 C ATOM 694 CD GLU A 47 -8.184 -13.004 3.728 1.00 0.00 C ATOM 695 OE1 GLU A 47 -7.289 -12.117 3.762 1.00 0.00 O ATOM 696 OE2 GLU A 47 -8.427 -13.733 4.726 1.00 0.00 O ATOM 0 H GLU A 47 -11.511 -14.255 2.665 1.00 0.00 H new ATOM 0 HA GLU A 47 -10.948 -12.164 4.402 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -10.613 -12.396 1.396 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.784 -11.248 2.428 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -9.259 -14.226 2.320 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -8.289 -12.968 1.579 1.00 0.00 H new ATOM 703 N LEU A 48 -13.427 -11.543 2.607 1.00 0.00 N ATOM 704 CA LEU A 48 -14.446 -10.540 2.625 1.00 0.00 C ATOM 705 C LEU A 48 -14.992 -10.425 4.007 1.00 0.00 C ATOM 706 O LEU A 48 -15.239 -9.319 4.486 1.00 0.00 O ATOM 707 CB LEU A 48 -15.640 -10.868 1.713 1.00 0.00 C ATOM 708 CG LEU A 48 -15.380 -10.614 0.219 1.00 0.00 C ATOM 709 CD1 LEU A 48 -16.365 -11.496 -0.567 1.00 0.00 C ATOM 710 CD2 LEU A 48 -15.524 -9.107 -0.053 1.00 0.00 C ATOM 0 H LEU A 48 -13.631 -12.412 2.114 1.00 0.00 H new ATOM 0 HA LEU A 48 -13.975 -9.622 2.273 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -15.911 -11.915 1.850 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -16.497 -10.273 2.027 1.00 0.00 H new ATOM 0 HG LEU A 48 -14.372 -10.883 -0.098 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -16.214 -11.346 -1.636 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -16.193 -12.543 -0.320 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -17.387 -11.224 -0.303 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -15.343 -8.909 -1.109 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -16.532 -8.785 0.209 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -14.800 -8.558 0.549 1.00 0.00 H new ATOM 722 N GLN A 49 -15.299 -11.542 4.690 1.00 0.00 N ATOM 723 CA GLN A 49 -15.786 -11.473 6.033 1.00 0.00 C ATOM 724 C GLN A 49 -14.905 -10.787 7.020 1.00 0.00 C ATOM 725 O GLN A 49 -15.263 -9.998 7.893 1.00 0.00 O ATOM 726 CB GLN A 49 -16.090 -12.869 6.602 1.00 0.00 C ATOM 727 CG GLN A 49 -16.703 -13.000 7.998 1.00 0.00 C ATOM 728 CD GLN A 49 -17.414 -14.340 8.121 1.00 0.00 C ATOM 729 OE1 GLN A 49 -16.995 -15.180 8.916 1.00 0.00 O ATOM 730 NE2 GLN A 49 -18.482 -14.552 7.306 1.00 0.00 N ATOM 0 H GLN A 49 -15.211 -12.487 4.316 1.00 0.00 H new ATOM 0 HA GLN A 49 -16.684 -10.866 5.919 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -16.762 -13.367 5.903 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -15.156 -13.431 6.602 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -15.925 -12.919 8.757 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -17.406 -12.186 8.175 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -18.787 -13.820 6.665 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -18.977 -15.443 7.336 1.00 0.00 H new ATOM 739 N ASP A 50 -13.598 -10.989 6.777 1.00 0.00 N ATOM 740 CA ASP A 50 -12.522 -10.375 7.491 1.00 0.00 C ATOM 741 C ASP A 50 -12.532 -8.891 7.349 1.00 0.00 C ATOM 742 O ASP A 50 -12.601 -8.140 8.321 1.00 0.00 O ATOM 743 CB ASP A 50 -11.270 -11.083 6.946 1.00 0.00 C ATOM 744 CG ASP A 50 -10.067 -10.832 7.843 1.00 0.00 C ATOM 745 OD1 ASP A 50 -10.245 -11.165 9.045 1.00 0.00 O ATOM 746 OD2 ASP A 50 -8.967 -10.409 7.396 1.00 0.00 O ATOM 0 H ASP A 50 -13.274 -11.616 6.041 1.00 0.00 H new ATOM 0 HA ASP A 50 -12.584 -10.495 8.573 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -11.457 -12.154 6.873 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -11.057 -10.728 5.938 1.00 0.00 H new ATOM 751 N MET A 51 -12.718 -8.409 6.108 1.00 0.00 N ATOM 752 CA MET A 51 -12.828 -7.033 5.733 1.00 0.00 C ATOM 753 C MET A 51 -14.038 -6.358 6.281 1.00 0.00 C ATOM 754 O MET A 51 -14.080 -5.142 6.462 1.00 0.00 O ATOM 755 CB MET A 51 -12.778 -6.848 4.207 1.00 0.00 C ATOM 756 CG MET A 51 -12.254 -5.492 3.729 1.00 0.00 C ATOM 757 SD MET A 51 -12.180 -5.069 1.962 1.00 0.00 S ATOM 758 CE MET A 51 -11.384 -6.636 1.508 1.00 0.00 C ATOM 0 H MET A 51 -12.798 -9.031 5.304 1.00 0.00 H new ATOM 0 HA MET A 51 -11.959 -6.552 6.181 1.00 0.00 H new ATOM 0 HB2 MET A 51 -12.150 -7.632 3.783 1.00 0.00 H new ATOM 0 HB3 MET A 51 -13.782 -6.993 3.807 1.00 0.00 H new ATOM 0 HG2 MET A 51 -12.864 -4.729 4.212 1.00 0.00 H new ATOM 0 HG3 MET A 51 -11.243 -5.387 4.122 1.00 0.00 H new ATOM 0 HE1 MET A 51 -10.895 -6.528 0.540 1.00 0.00 H new ATOM 0 HE2 MET A 51 -10.642 -6.899 2.262 1.00 0.00 H new ATOM 0 HE3 MET A 51 -12.136 -7.423 1.449 1.00 0.00 H new ATOM 768 N ILE A 52 -15.153 -7.085 6.469 1.00 0.00 N ATOM 769 CA ILE A 52 -16.307 -6.602 7.162 1.00 0.00 C ATOM 770 C ILE A 52 -16.079 -6.466 8.628 1.00 0.00 C ATOM 771 O ILE A 52 -16.580 -5.496 9.194 1.00 0.00 O ATOM 772 CB ILE A 52 -17.496 -7.481 6.910 1.00 0.00 C ATOM 773 CG1 ILE A 52 -18.339 -6.972 5.729 1.00 0.00 C ATOM 774 CG2 ILE A 52 -18.482 -7.740 8.061 1.00 0.00 C ATOM 775 CD1 ILE A 52 -19.016 -5.604 5.805 1.00 0.00 C ATOM 0 H ILE A 52 -15.255 -8.041 6.128 1.00 0.00 H new ATOM 0 HA ILE A 52 -16.507 -5.607 6.766 1.00 0.00 H new ATOM 0 HB ILE A 52 -16.993 -8.430 6.722 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -17.695 -6.966 4.850 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -19.120 -7.710 5.547 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -19.283 -8.393 7.714 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -17.958 -8.217 8.889 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -18.906 -6.794 8.397 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -19.565 -5.418 4.882 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -19.707 -5.586 6.648 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -18.260 -4.831 5.940 1.00 0.00 H new ATOM 787 N ASN A 53 -15.211 -7.276 9.261 1.00 0.00 N ATOM 788 CA ASN A 53 -15.096 -7.189 10.684 1.00 0.00 C ATOM 789 C ASN A 53 -14.202 -6.028 10.952 1.00 0.00 C ATOM 790 O ASN A 53 -14.167 -5.510 12.067 1.00 0.00 O ATOM 791 CB ASN A 53 -14.522 -8.527 11.179 1.00 0.00 C ATOM 792 CG ASN A 53 -14.974 -8.804 12.605 1.00 0.00 C ATOM 793 OD1 ASN A 53 -16.145 -9.039 12.901 1.00 0.00 O ATOM 794 ND2 ASN A 53 -14.043 -8.711 13.592 1.00 0.00 N ATOM 0 H ASN A 53 -14.610 -7.966 8.810 1.00 0.00 H new ATOM 0 HA ASN A 53 -16.040 -7.029 11.205 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -14.849 -9.335 10.524 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -13.433 -8.501 11.135 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -14.318 -8.836 14.566 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -13.069 -8.517 13.358 1.00 0.00 H new ATOM 801 N GLU A 54 -13.417 -5.551 9.969 1.00 0.00 N ATOM 802 CA GLU A 54 -12.594 -4.403 10.194 1.00 0.00 C ATOM 803 C GLU A 54 -13.479 -3.216 10.025 1.00 0.00 C ATOM 804 O GLU A 54 -13.408 -2.315 10.859 1.00 0.00 O ATOM 805 CB GLU A 54 -11.510 -4.334 9.104 1.00 0.00 C ATOM 806 CG GLU A 54 -10.664 -3.061 9.166 1.00 0.00 C ATOM 807 CD GLU A 54 -9.896 -2.841 10.461 1.00 0.00 C ATOM 808 OE1 GLU A 54 -9.672 -3.820 11.222 1.00 0.00 O ATOM 809 OE2 GLU A 54 -9.608 -1.667 10.817 1.00 0.00 O ATOM 0 H GLU A 54 -13.352 -5.952 9.033 1.00 0.00 H new ATOM 0 HA GLU A 54 -12.127 -4.442 11.178 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -10.856 -5.201 9.198 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -11.985 -4.398 8.125 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -9.951 -3.080 8.341 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -11.318 -2.204 9.003 1.00 0.00 H new ATOM 816 N VAL A 55 -14.306 -3.152 8.966 1.00 0.00 N ATOM 817 CA VAL A 55 -15.068 -2.036 8.498 1.00 0.00 C ATOM 818 C VAL A 55 -16.101 -1.698 9.518 1.00 0.00 C ATOM 819 O VAL A 55 -16.153 -0.637 10.139 1.00 0.00 O ATOM 820 CB VAL A 55 -15.627 -2.110 7.108 1.00 0.00 C ATOM 821 CG1 VAL A 55 -16.615 -0.959 6.852 1.00 0.00 C ATOM 822 CG2 VAL A 55 -14.427 -2.012 6.151 1.00 0.00 C ATOM 0 H VAL A 55 -14.454 -3.971 8.377 1.00 0.00 H new ATOM 0 HA VAL A 55 -14.350 -1.224 8.384 1.00 0.00 H new ATOM 0 HB VAL A 55 -16.178 -3.039 6.959 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -17.007 -1.034 5.838 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -17.438 -1.021 7.564 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -16.102 -0.005 6.973 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -14.779 -2.061 5.120 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -13.909 -1.067 6.313 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -13.742 -2.839 6.340 1.00 0.00 H new ATOM 832 N ASP A 56 -17.022 -2.667 9.656 1.00 0.00 N ATOM 833 CA ASP A 56 -18.253 -2.588 10.379 1.00 0.00 C ATOM 834 C ASP A 56 -18.141 -2.236 11.823 1.00 0.00 C ATOM 835 O ASP A 56 -17.693 -3.074 12.603 1.00 0.00 O ATOM 836 CB ASP A 56 -19.183 -3.802 10.206 1.00 0.00 C ATOM 837 CG ASP A 56 -20.642 -3.654 10.613 1.00 0.00 C ATOM 838 OD1 ASP A 56 -21.203 -2.582 10.263 1.00 0.00 O ATOM 839 OD2 ASP A 56 -21.221 -4.564 11.265 1.00 0.00 O ATOM 0 H ASP A 56 -16.893 -3.582 9.225 1.00 0.00 H new ATOM 0 HA ASP A 56 -18.719 -1.734 9.887 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -19.158 -4.093 9.156 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -18.760 -4.629 10.776 1.00 0.00 H new ATOM 844 N ALA A 57 -18.473 -0.972 12.144 1.00 0.00 N ATOM 845 CA ALA A 57 -18.464 -0.385 13.448 1.00 0.00 C ATOM 846 C ALA A 57 -19.805 -0.425 14.097 1.00 0.00 C ATOM 847 O ALA A 57 -19.992 -0.473 15.312 1.00 0.00 O ATOM 848 CB ALA A 57 -17.930 1.057 13.427 1.00 0.00 C ATOM 0 H ALA A 57 -18.772 -0.307 11.431 1.00 0.00 H new ATOM 0 HA ALA A 57 -17.784 -0.994 14.044 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -17.941 1.464 14.438 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -16.909 1.061 13.045 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -18.561 1.669 12.783 1.00 0.00 H new ATOM 854 N ASP A 58 -20.854 -0.409 13.256 1.00 0.00 N ATOM 855 CA ASP A 58 -22.185 -0.214 13.741 1.00 0.00 C ATOM 856 C ASP A 58 -22.941 -1.489 13.890 1.00 0.00 C ATOM 857 O ASP A 58 -24.070 -1.440 14.375 1.00 0.00 O ATOM 858 CB ASP A 58 -23.005 0.932 13.123 1.00 0.00 C ATOM 859 CG ASP A 58 -23.720 0.649 11.810 1.00 0.00 C ATOM 860 OD1 ASP A 58 -23.067 0.209 10.826 1.00 0.00 O ATOM 861 OD2 ASP A 58 -24.966 0.838 11.837 1.00 0.00 O ATOM 0 H ASP A 58 -20.782 -0.530 12.246 1.00 0.00 H new ATOM 0 HA ASP A 58 -22.013 0.174 14.745 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -23.752 1.244 13.853 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -22.337 1.779 12.968 1.00 0.00 H new ATOM 866 N GLY A 59 -22.338 -2.656 13.597 1.00 0.00 N ATOM 867 CA GLY A 59 -22.908 -3.928 13.917 1.00 0.00 C ATOM 868 C GLY A 59 -23.950 -4.502 13.020 1.00 0.00 C ATOM 869 O GLY A 59 -24.632 -5.431 13.448 1.00 0.00 O ATOM 0 H GLY A 59 -21.435 -2.717 13.127 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -22.092 -4.648 13.975 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -23.339 -3.853 14.915 1.00 0.00 H new ATOM 873 N ASN A 60 -24.113 -4.006 11.780 1.00 0.00 N ATOM 874 CA ASN A 60 -25.118 -4.567 10.932 1.00 0.00 C ATOM 875 C ASN A 60 -24.698 -5.460 9.815 1.00 0.00 C ATOM 876 O ASN A 60 -25.528 -6.105 9.177 1.00 0.00 O ATOM 877 CB ASN A 60 -26.050 -3.456 10.418 1.00 0.00 C ATOM 878 CG ASN A 60 -25.308 -2.331 9.711 1.00 0.00 C ATOM 879 OD1 ASN A 60 -24.094 -2.345 9.510 1.00 0.00 O ATOM 880 ND2 ASN A 60 -26.010 -1.248 9.281 1.00 0.00 N ATOM 0 H ASN A 60 -23.570 -3.243 11.375 1.00 0.00 H new ATOM 0 HA ASN A 60 -25.631 -5.264 11.595 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -26.778 -3.890 9.732 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -26.609 -3.043 11.257 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -25.528 -0.482 8.809 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -27.018 -1.202 9.430 1.00 0.00 H new ATOM 887 N GLY A 61 -23.385 -5.542 9.535 1.00 0.00 N ATOM 888 CA GLY A 61 -22.661 -6.362 8.614 1.00 0.00 C ATOM 889 C GLY A 61 -22.782 -5.896 7.204 1.00 0.00 C ATOM 890 O GLY A 61 -22.414 -6.596 6.261 1.00 0.00 O ATOM 0 H GLY A 61 -22.737 -4.935 10.037 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -21.609 -6.376 8.898 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -23.024 -7.387 8.685 1.00 0.00 H new ATOM 894 N THR A 62 -23.333 -4.691 6.971 1.00 0.00 N ATOM 895 CA THR A 62 -23.352 -4.135 5.654 1.00 0.00 C ATOM 896 C THR A 62 -22.567 -2.869 5.675 1.00 0.00 C ATOM 897 O THR A 62 -22.549 -2.257 6.742 1.00 0.00 O ATOM 898 CB THR A 62 -24.736 -3.900 5.125 1.00 0.00 C ATOM 899 OG1 THR A 62 -25.524 -3.107 6.001 1.00 0.00 O ATOM 900 CG2 THR A 62 -25.298 -5.322 4.955 1.00 0.00 C ATOM 0 H THR A 62 -23.762 -4.106 7.688 1.00 0.00 H new ATOM 0 HA THR A 62 -22.904 -4.858 4.972 1.00 0.00 H new ATOM 0 HB THR A 62 -24.739 -3.333 4.194 1.00 0.00 H new ATOM 0 HG1 THR A 62 -26.415 -2.979 5.614 1.00 0.00 H new ATOM 0 HG21 THR A 62 -26.316 -5.267 4.569 1.00 0.00 H new ATOM 0 HG22 THR A 62 -24.674 -5.878 4.255 1.00 0.00 H new ATOM 0 HG23 THR A 62 -25.302 -5.829 5.920 1.00 0.00 H new ATOM 908 N ILE A 63 -21.871 -2.503 4.584 1.00 0.00 N ATOM 909 CA ILE A 63 -21.133 -1.287 4.437 1.00 0.00 C ATOM 910 C ILE A 63 -22.010 -0.173 3.979 1.00 0.00 C ATOM 911 O ILE A 63 -22.521 -0.169 2.860 1.00 0.00 O ATOM 912 CB ILE A 63 -19.855 -1.449 3.668 1.00 0.00 C ATOM 913 CG1 ILE A 63 -19.025 -2.635 4.188 1.00 0.00 C ATOM 914 CG2 ILE A 63 -19.049 -0.154 3.866 1.00 0.00 C ATOM 915 CD1 ILE A 63 -17.664 -2.900 3.547 1.00 0.00 C ATOM 0 H ILE A 63 -21.821 -3.093 3.754 1.00 0.00 H new ATOM 0 HA ILE A 63 -20.784 -0.996 5.428 1.00 0.00 H new ATOM 0 HB ILE A 63 -20.082 -1.641 2.619 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -18.867 -2.488 5.256 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -19.627 -3.537 4.076 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -18.107 -0.225 3.323 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -19.622 0.693 3.489 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -18.846 -0.011 4.927 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -17.202 -3.767 4.020 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -17.795 -3.094 2.482 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -17.023 -2.029 3.681 1.00 0.00 H new ATOM 927 N ASP A 64 -22.272 0.774 4.897 1.00 0.00 N ATOM 928 CA ASP A 64 -23.107 1.927 4.761 1.00 0.00 C ATOM 929 C ASP A 64 -22.240 3.101 4.464 1.00 0.00 C ATOM 930 O ASP A 64 -21.020 2.957 4.530 1.00 0.00 O ATOM 931 CB ASP A 64 -24.111 2.077 5.917 1.00 0.00 C ATOM 932 CG ASP A 64 -23.459 1.941 7.285 1.00 0.00 C ATOM 933 OD1 ASP A 64 -22.925 0.859 7.649 1.00 0.00 O ATOM 934 OD2 ASP A 64 -23.653 2.895 8.084 1.00 0.00 O ATOM 0 H ASP A 64 -21.856 0.725 5.827 1.00 0.00 H new ATOM 0 HA ASP A 64 -23.781 1.823 3.911 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -24.597 3.050 5.846 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -24.891 1.323 5.815 1.00 0.00 H new ATOM 939 N PHE A 65 -22.678 4.325 4.119 1.00 0.00 N ATOM 940 CA PHE A 65 -21.968 5.487 3.685 1.00 0.00 C ATOM 941 C PHE A 65 -20.926 6.094 4.560 1.00 0.00 C ATOM 942 O PHE A 65 -19.808 6.286 4.085 1.00 0.00 O ATOM 943 CB PHE A 65 -22.932 6.498 3.041 1.00 0.00 C ATOM 944 CG PHE A 65 -22.214 7.522 2.231 1.00 0.00 C ATOM 945 CD1 PHE A 65 -21.593 7.204 1.047 1.00 0.00 C ATOM 946 CD2 PHE A 65 -22.102 8.819 2.675 1.00 0.00 C ATOM 947 CE1 PHE A 65 -20.778 8.093 0.386 1.00 0.00 C ATOM 948 CE2 PHE A 65 -21.329 9.705 1.962 1.00 0.00 C ATOM 949 CZ PHE A 65 -20.718 9.414 0.766 1.00 0.00 C ATOM 0 H PHE A 65 -23.678 4.521 4.152 1.00 0.00 H new ATOM 0 HA PHE A 65 -21.291 5.085 2.931 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -23.642 5.967 2.406 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -23.510 6.994 3.821 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -21.750 6.224 0.622 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -22.614 9.137 3.571 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -20.177 7.749 -0.443 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -21.193 10.696 2.369 1.00 0.00 H new ATOM 0 HZ PHE A 65 -20.227 10.167 0.168 1.00 0.00 H new ATOM 959 N PRO A 66 -21.035 6.487 5.795 1.00 0.00 N ATOM 960 CA PRO A 66 -19.998 7.174 6.508 1.00 0.00 C ATOM 961 C PRO A 66 -18.863 6.253 6.796 1.00 0.00 C ATOM 962 O PRO A 66 -17.693 6.590 6.971 1.00 0.00 O ATOM 963 CB PRO A 66 -20.606 7.848 7.737 1.00 0.00 C ATOM 964 CG PRO A 66 -22.012 7.226 7.729 1.00 0.00 C ATOM 965 CD PRO A 66 -22.365 6.799 6.295 1.00 0.00 C ATOM 0 HA PRO A 66 -19.563 7.969 5.902 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -20.056 7.619 8.650 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -20.632 8.934 7.644 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -22.046 6.365 8.397 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -22.743 7.945 8.098 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -23.034 5.939 6.268 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -22.848 7.596 5.729 1.00 0.00 H new ATOM 973 N GLU A 67 -19.238 4.977 6.994 1.00 0.00 N ATOM 974 CA GLU A 67 -18.474 3.785 7.197 1.00 0.00 C ATOM 975 C GLU A 67 -17.580 3.520 6.035 1.00 0.00 C ATOM 976 O GLU A 67 -16.436 3.099 6.192 1.00 0.00 O ATOM 977 CB GLU A 67 -19.335 2.574 7.593 1.00 0.00 C ATOM 978 CG GLU A 67 -18.587 1.410 8.247 1.00 0.00 C ATOM 979 CD GLU A 67 -19.576 0.316 8.621 1.00 0.00 C ATOM 980 OE1 GLU A 67 -20.081 -0.362 7.687 1.00 0.00 O ATOM 981 OE2 GLU A 67 -20.061 0.259 9.783 1.00 0.00 O ATOM 0 H GLU A 67 -20.233 4.754 7.013 1.00 0.00 H new ATOM 0 HA GLU A 67 -17.832 3.957 8.061 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -20.112 2.913 8.279 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -19.838 2.202 6.700 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -17.835 1.017 7.563 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -18.059 1.757 9.135 1.00 0.00 H new ATOM 988 N PHE A 68 -18.146 3.643 4.821 1.00 0.00 N ATOM 989 CA PHE A 68 -17.488 3.586 3.553 1.00 0.00 C ATOM 990 C PHE A 68 -16.608 4.747 3.238 1.00 0.00 C ATOM 991 O PHE A 68 -15.525 4.609 2.672 1.00 0.00 O ATOM 992 CB PHE A 68 -18.422 3.389 2.347 1.00 0.00 C ATOM 993 CG PHE A 68 -17.756 3.216 1.025 1.00 0.00 C ATOM 994 CD1 PHE A 68 -17.406 1.969 0.562 1.00 0.00 C ATOM 995 CD2 PHE A 68 -17.673 4.229 0.099 1.00 0.00 C ATOM 996 CE1 PHE A 68 -16.895 1.669 -0.679 1.00 0.00 C ATOM 997 CE2 PHE A 68 -17.169 3.970 -1.154 1.00 0.00 C ATOM 998 CZ PHE A 68 -16.858 2.702 -1.585 1.00 0.00 C ATOM 0 H PHE A 68 -19.150 3.795 4.720 1.00 0.00 H new ATOM 0 HA PHE A 68 -16.874 2.697 3.693 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -19.045 2.515 2.535 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -19.089 4.249 2.285 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -17.547 1.142 1.242 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -18.003 5.225 0.355 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -16.543 0.679 -0.927 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -17.011 4.798 -1.829 1.00 0.00 H new ATOM 0 HZ PHE A 68 -16.590 2.521 -2.615 1.00 0.00 H new ATOM 1008 N LEU A 69 -17.003 5.929 3.744 1.00 0.00 N ATOM 1009 CA LEU A 69 -16.265 7.153 3.691 1.00 0.00 C ATOM 1010 C LEU A 69 -14.996 7.004 4.456 1.00 0.00 C ATOM 1011 O LEU A 69 -13.904 7.203 3.925 1.00 0.00 O ATOM 1012 CB LEU A 69 -17.177 8.325 4.092 1.00 0.00 C ATOM 1013 CG LEU A 69 -16.723 9.789 3.964 1.00 0.00 C ATOM 1014 CD1 LEU A 69 -17.935 10.735 4.007 1.00 0.00 C ATOM 1015 CD2 LEU A 69 -15.718 10.057 5.097 1.00 0.00 C ATOM 0 H LEU A 69 -17.898 6.036 4.222 1.00 0.00 H new ATOM 0 HA LEU A 69 -15.944 7.395 2.678 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -18.091 8.227 3.507 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -17.448 8.170 5.136 1.00 0.00 H new ATOM 0 HG LEU A 69 -16.237 9.973 3.006 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -17.595 11.766 3.915 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -18.609 10.500 3.183 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -18.461 10.609 4.953 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -15.372 11.089 5.040 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -16.201 9.889 6.059 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -14.868 9.383 4.996 1.00 0.00 H new ATOM 1027 N THR A 70 -15.140 6.585 5.726 1.00 0.00 N ATOM 1028 CA THR A 70 -14.061 6.376 6.640 1.00 0.00 C ATOM 1029 C THR A 70 -13.172 5.250 6.239 1.00 0.00 C ATOM 1030 O THR A 70 -11.950 5.182 6.363 1.00 0.00 O ATOM 1031 CB THR A 70 -14.432 6.446 8.092 1.00 0.00 C ATOM 1032 OG1 THR A 70 -15.154 7.641 8.353 1.00 0.00 O ATOM 1033 CG2 THR A 70 -13.323 6.535 9.153 1.00 0.00 C ATOM 0 H THR A 70 -16.052 6.382 6.134 1.00 0.00 H new ATOM 0 HA THR A 70 -13.426 7.257 6.547 1.00 0.00 H new ATOM 0 HB THR A 70 -14.947 5.491 8.197 1.00 0.00 H new ATOM 0 HG1 THR A 70 -16.055 7.568 7.974 1.00 0.00 H new ATOM 0 HG21 THR A 70 -13.772 6.578 10.146 1.00 0.00 H new ATOM 0 HG22 THR A 70 -12.681 5.657 9.082 1.00 0.00 H new ATOM 0 HG23 THR A 70 -12.729 7.433 8.984 1.00 0.00 H new ATOM 1041 N MET A 71 -13.744 4.270 5.516 1.00 0.00 N ATOM 1042 CA MET A 71 -12.989 3.278 4.816 1.00 0.00 C ATOM 1043 C MET A 71 -12.113 3.704 3.689 1.00 0.00 C ATOM 1044 O MET A 71 -10.922 3.394 3.691 1.00 0.00 O ATOM 1045 CB MET A 71 -13.896 2.132 4.338 1.00 0.00 C ATOM 1046 CG MET A 71 -13.232 1.124 3.398 1.00 0.00 C ATOM 1047 SD MET A 71 -14.392 -0.213 2.983 1.00 0.00 S ATOM 1048 CE MET A 71 -13.116 -1.390 2.449 1.00 0.00 C ATOM 0 H MET A 71 -14.754 4.165 5.416 1.00 0.00 H new ATOM 0 HA MET A 71 -12.283 2.966 5.586 1.00 0.00 H new ATOM 0 HB2 MET A 71 -14.270 1.598 5.211 1.00 0.00 H new ATOM 0 HB3 MET A 71 -14.761 2.561 3.832 1.00 0.00 H new ATOM 0 HG2 MET A 71 -12.905 1.626 2.488 1.00 0.00 H new ATOM 0 HG3 MET A 71 -12.342 0.708 3.870 1.00 0.00 H new ATOM 0 HE1 MET A 71 -13.588 -2.321 2.135 1.00 0.00 H new ATOM 0 HE2 MET A 71 -12.557 -0.967 1.614 1.00 0.00 H new ATOM 0 HE3 MET A 71 -12.435 -1.589 3.277 1.00 0.00 H new ATOM 1058 N MET A 72 -12.641 4.556 2.792 1.00 0.00 N ATOM 1059 CA MET A 72 -11.912 5.154 1.717 1.00 0.00 C ATOM 1060 C MET A 72 -10.927 6.191 2.135 1.00 0.00 C ATOM 1061 O MET A 72 -9.910 6.377 1.470 1.00 0.00 O ATOM 1062 CB MET A 72 -12.770 5.584 0.516 1.00 0.00 C ATOM 1063 CG MET A 72 -13.723 4.498 0.015 1.00 0.00 C ATOM 1064 SD MET A 72 -12.823 3.286 -0.999 1.00 0.00 S ATOM 1065 CE MET A 72 -13.316 4.202 -2.488 1.00 0.00 C ATOM 0 H MET A 72 -13.620 4.841 2.818 1.00 0.00 H new ATOM 0 HA MET A 72 -11.308 4.327 1.344 1.00 0.00 H new ATOM 0 HB2 MET A 72 -13.351 6.464 0.793 1.00 0.00 H new ATOM 0 HB3 MET A 72 -12.112 5.881 -0.301 1.00 0.00 H new ATOM 0 HG2 MET A 72 -14.192 3.997 0.862 1.00 0.00 H new ATOM 0 HG3 MET A 72 -14.524 4.949 -0.571 1.00 0.00 H new ATOM 0 HE1 MET A 72 -12.852 3.749 -3.364 1.00 0.00 H new ATOM 0 HE2 MET A 72 -14.400 4.168 -2.594 1.00 0.00 H new ATOM 0 HE3 MET A 72 -12.992 5.239 -2.401 1.00 0.00 H new ATOM 1075 N ALA A 73 -10.960 6.897 3.279 1.00 0.00 N ATOM 1076 CA ALA A 73 -9.785 7.604 3.685 1.00 0.00 C ATOM 1077 C ALA A 73 -8.670 6.687 4.056 1.00 0.00 C ATOM 1078 O ALA A 73 -7.500 6.989 3.827 1.00 0.00 O ATOM 1079 CB ALA A 73 -10.127 8.650 4.760 1.00 0.00 C ATOM 0 H ALA A 73 -11.764 6.978 3.901 1.00 0.00 H new ATOM 0 HA ALA A 73 -9.403 8.159 2.828 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -9.220 9.177 5.056 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -10.847 9.363 4.358 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -10.557 8.152 5.629 1.00 0.00 H new ATOM 1234 N GLU A 83 -0.623 11.296 -9.414 1.00 0.00 N ATOM 1235 CA GLU A 83 -0.110 12.524 -8.891 1.00 0.00 C ATOM 1236 C GLU A 83 0.339 12.551 -7.471 1.00 0.00 C ATOM 1237 O GLU A 83 1.402 13.069 -7.131 1.00 0.00 O ATOM 1238 CB GLU A 83 -1.013 13.714 -9.257 1.00 0.00 C ATOM 1239 CG GLU A 83 -0.305 15.068 -9.171 1.00 0.00 C ATOM 1240 CD GLU A 83 0.639 15.283 -10.345 1.00 0.00 C ATOM 1241 OE1 GLU A 83 0.145 15.335 -11.503 1.00 0.00 O ATOM 1242 OE2 GLU A 83 1.877 15.267 -10.109 1.00 0.00 O ATOM 0 HA GLU A 83 0.844 12.623 -9.409 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -1.391 13.575 -10.270 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -1.877 13.722 -8.592 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -1.047 15.866 -9.149 1.00 0.00 H new ATOM 0 HG3 GLU A 83 0.255 15.128 -8.238 1.00 0.00 H new ATOM 1249 N GLU A 84 -0.411 11.928 -6.544 1.00 0.00 N ATOM 1250 CA GLU A 84 -0.084 11.898 -5.152 1.00 0.00 C ATOM 1251 C GLU A 84 1.113 11.067 -4.841 1.00 0.00 C ATOM 1252 O GLU A 84 1.770 11.265 -3.821 1.00 0.00 O ATOM 1253 CB GLU A 84 -1.331 11.614 -4.298 1.00 0.00 C ATOM 1254 CG GLU A 84 -2.481 12.591 -4.556 1.00 0.00 C ATOM 1255 CD GLU A 84 -3.489 12.717 -3.423 1.00 0.00 C ATOM 1256 OE1 GLU A 84 -3.099 13.116 -2.294 1.00 0.00 O ATOM 1257 OE2 GLU A 84 -4.683 12.404 -3.677 1.00 0.00 O ATOM 0 H GLU A 84 -1.272 11.430 -6.770 1.00 0.00 H new ATOM 0 HA GLU A 84 0.243 12.897 -4.862 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.675 10.599 -4.497 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -1.058 11.657 -3.244 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -2.061 13.576 -4.759 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -3.008 12.277 -5.457 1.00 0.00 H new ATOM 1264 N ILE A 85 1.521 10.134 -5.720 1.00 0.00 N ATOM 1265 CA ILE A 85 2.779 9.456 -5.773 1.00 0.00 C ATOM 1266 C ILE A 85 3.988 10.235 -6.162 1.00 0.00 C ATOM 1267 O ILE A 85 4.981 10.273 -5.437 1.00 0.00 O ATOM 1268 CB ILE A 85 2.744 8.178 -6.557 1.00 0.00 C ATOM 1269 CG1 ILE A 85 1.531 7.258 -6.336 1.00 0.00 C ATOM 1270 CG2 ILE A 85 4.004 7.298 -6.497 1.00 0.00 C ATOM 1271 CD1 ILE A 85 1.305 7.086 -4.835 1.00 0.00 C ATOM 0 H ILE A 85 0.903 9.825 -6.470 1.00 0.00 H new ATOM 0 HA ILE A 85 2.909 9.250 -4.711 1.00 0.00 H new ATOM 0 HB ILE A 85 2.668 8.625 -7.548 1.00 0.00 H new ATOM 0 HG12 ILE A 85 0.644 7.685 -6.804 1.00 0.00 H new ATOM 0 HG13 ILE A 85 1.703 6.289 -6.804 1.00 0.00 H new ATOM 0 HG21 ILE A 85 3.853 6.405 -7.104 1.00 0.00 H new ATOM 0 HG22 ILE A 85 4.857 7.858 -6.880 1.00 0.00 H new ATOM 0 HG23 ILE A 85 4.196 7.007 -5.464 1.00 0.00 H new ATOM 0 HD11 ILE A 85 0.447 6.435 -4.669 1.00 0.00 H new ATOM 0 HD12 ILE A 85 2.191 6.641 -4.382 1.00 0.00 H new ATOM 0 HD13 ILE A 85 1.116 8.059 -4.382 1.00 0.00 H new ATOM 1283 N ARG A 86 3.959 10.965 -7.292 1.00 0.00 N ATOM 1284 CA ARG A 86 4.839 12.034 -7.646 1.00 0.00 C ATOM 1285 C ARG A 86 5.063 12.993 -6.527 1.00 0.00 C ATOM 1286 O ARG A 86 6.183 13.392 -6.211 1.00 0.00 O ATOM 1287 CB ARG A 86 4.368 12.711 -8.944 1.00 0.00 C ATOM 1288 CG ARG A 86 4.681 12.010 -10.267 1.00 0.00 C ATOM 1289 CD ARG A 86 4.218 12.804 -11.491 1.00 0.00 C ATOM 1290 NE ARG A 86 2.771 13.155 -11.527 1.00 0.00 N ATOM 1291 CZ ARG A 86 1.923 12.470 -12.349 1.00 0.00 C ATOM 1292 NH1 ARG A 86 2.170 11.297 -13.002 1.00 0.00 N ATOM 1293 NH2 ARG A 86 0.653 12.941 -12.519 1.00 0.00 N ATOM 0 H ARG A 86 3.262 10.791 -8.016 1.00 0.00 H new ATOM 0 HA ARG A 86 5.822 11.606 -7.843 1.00 0.00 H new ATOM 0 HB2 ARG A 86 3.288 12.841 -8.881 1.00 0.00 H new ATOM 0 HB3 ARG A 86 4.808 13.708 -8.981 1.00 0.00 H new ATOM 0 HG2 ARG A 86 5.756 11.841 -10.336 1.00 0.00 H new ATOM 0 HG3 ARG A 86 4.203 11.031 -10.274 1.00 0.00 H new ATOM 0 HD2 ARG A 86 4.797 13.726 -11.543 1.00 0.00 H new ATOM 0 HD3 ARG A 86 4.455 12.228 -12.385 1.00 0.00 H new ATOM 0 HE ARG A 86 2.414 13.907 -10.938 1.00 0.00 H new ATOM 0 HH11 ARG A 86 3.075 10.837 -12.899 1.00 0.00 H new ATOM 0 HH12 ARG A 86 1.450 10.881 -13.592 1.00 0.00 H new ATOM 0 HH21 ARG A 86 0.355 13.789 -12.037 1.00 0.00 H new ATOM 0 HH22 ARG A 86 0.003 12.445 -13.129 1.00 0.00 H new ATOM 1307 N GLU A 87 3.962 13.374 -5.854 1.00 0.00 N ATOM 1308 CA GLU A 87 3.979 14.101 -4.623 1.00 0.00 C ATOM 1309 C GLU A 87 4.559 13.409 -3.437 1.00 0.00 C ATOM 1310 O GLU A 87 5.262 14.087 -2.688 1.00 0.00 O ATOM 1311 CB GLU A 87 2.577 14.671 -4.349 1.00 0.00 C ATOM 1312 CG GLU A 87 2.542 15.709 -3.226 1.00 0.00 C ATOM 1313 CD GLU A 87 3.097 17.029 -3.743 1.00 0.00 C ATOM 1314 OE1 GLU A 87 4.338 17.247 -3.743 1.00 0.00 O ATOM 1315 OE2 GLU A 87 2.251 17.910 -4.054 1.00 0.00 O ATOM 0 H GLU A 87 3.019 13.166 -6.183 1.00 0.00 H new ATOM 0 HA GLU A 87 4.695 14.908 -4.774 1.00 0.00 H new ATOM 0 HB2 GLU A 87 2.194 15.125 -5.263 1.00 0.00 H new ATOM 0 HB3 GLU A 87 1.905 13.851 -4.095 1.00 0.00 H new ATOM 0 HG2 GLU A 87 1.520 15.845 -2.872 1.00 0.00 H new ATOM 0 HG3 GLU A 87 3.130 15.362 -2.376 1.00 0.00 H new ATOM 1322 N ALA A 88 4.317 12.115 -3.165 1.00 0.00 N ATOM 1323 CA ALA A 88 5.017 11.478 -2.093 1.00 0.00 C ATOM 1324 C ALA A 88 6.464 11.236 -2.358 1.00 0.00 C ATOM 1325 O ALA A 88 7.281 11.265 -1.439 1.00 0.00 O ATOM 1326 CB ALA A 88 4.430 10.061 -1.969 1.00 0.00 C ATOM 0 H ALA A 88 3.657 11.524 -3.670 1.00 0.00 H new ATOM 0 HA ALA A 88 4.915 12.131 -1.226 1.00 0.00 H new ATOM 0 HB1 ALA A 88 4.932 9.529 -1.161 1.00 0.00 H new ATOM 0 HB2 ALA A 88 3.364 10.127 -1.753 1.00 0.00 H new ATOM 0 HB3 ALA A 88 4.578 9.523 -2.905 1.00 0.00 H new ATOM 1332 N PHE A 89 6.911 11.107 -3.619 1.00 0.00 N ATOM 1333 CA PHE A 89 8.268 11.198 -4.064 1.00 0.00 C ATOM 1334 C PHE A 89 8.869 12.527 -3.760 1.00 0.00 C ATOM 1335 O PHE A 89 9.983 12.614 -3.245 1.00 0.00 O ATOM 1336 CB PHE A 89 8.523 10.843 -5.538 1.00 0.00 C ATOM 1337 CG PHE A 89 9.953 10.624 -5.894 1.00 0.00 C ATOM 1338 CD1 PHE A 89 10.829 11.678 -6.008 1.00 0.00 C ATOM 1339 CD2 PHE A 89 10.457 9.349 -5.996 1.00 0.00 C ATOM 1340 CE1 PHE A 89 12.173 11.421 -6.136 1.00 0.00 C ATOM 1341 CE2 PHE A 89 11.785 9.084 -6.237 1.00 0.00 C ATOM 1342 CZ PHE A 89 12.644 10.149 -6.366 1.00 0.00 C ATOM 0 H PHE A 89 6.270 10.924 -4.391 1.00 0.00 H new ATOM 0 HA PHE A 89 8.763 10.418 -3.485 1.00 0.00 H new ATOM 0 HB2 PHE A 89 7.961 9.941 -5.781 1.00 0.00 H new ATOM 0 HB3 PHE A 89 8.127 11.644 -6.163 1.00 0.00 H new ATOM 0 HD1 PHE A 89 10.465 12.695 -5.997 1.00 0.00 H new ATOM 0 HD2 PHE A 89 9.778 8.517 -5.882 1.00 0.00 H new ATOM 0 HE1 PHE A 89 12.876 12.237 -6.054 1.00 0.00 H new ATOM 0 HE2 PHE A 89 12.142 8.068 -6.322 1.00 0.00 H new ATOM 0 HZ PHE A 89 13.675 9.989 -6.644 1.00 0.00 H new ATOM 1352 N ARG A 90 8.159 13.650 -3.965 1.00 0.00 N ATOM 1353 CA ARG A 90 8.734 14.953 -3.833 1.00 0.00 C ATOM 1354 C ARG A 90 8.776 15.436 -2.424 1.00 0.00 C ATOM 1355 O ARG A 90 9.668 16.127 -1.934 1.00 0.00 O ATOM 1356 CB ARG A 90 7.779 15.906 -4.571 1.00 0.00 C ATOM 1357 CG ARG A 90 8.073 17.407 -4.605 1.00 0.00 C ATOM 1358 CD ARG A 90 7.487 18.240 -5.746 1.00 0.00 C ATOM 1359 NE ARG A 90 6.028 18.406 -5.493 1.00 0.00 N ATOM 1360 CZ ARG A 90 5.213 19.075 -6.361 1.00 0.00 C ATOM 1361 NH1 ARG A 90 5.761 19.733 -7.424 1.00 0.00 N ATOM 1362 NH2 ARG A 90 3.860 19.035 -6.187 1.00 0.00 N ATOM 0 H ARG A 90 7.173 13.655 -4.226 1.00 0.00 H new ATOM 0 HA ARG A 90 9.754 14.919 -4.216 1.00 0.00 H new ATOM 0 HB2 ARG A 90 7.714 15.565 -5.604 1.00 0.00 H new ATOM 0 HB3 ARG A 90 6.790 15.779 -4.131 1.00 0.00 H new ATOM 0 HG2 ARG A 90 7.720 17.835 -3.667 1.00 0.00 H new ATOM 0 HG3 ARG A 90 9.156 17.532 -4.625 1.00 0.00 H new ATOM 0 HD2 ARG A 90 7.978 19.212 -5.799 1.00 0.00 H new ATOM 0 HD3 ARG A 90 7.654 17.746 -6.703 1.00 0.00 H new ATOM 0 HE ARG A 90 5.625 18.007 -4.645 1.00 0.00 H new ATOM 0 HH11 ARG A 90 6.771 19.722 -7.565 1.00 0.00 H new ATOM 0 HH12 ARG A 90 5.160 20.235 -8.078 1.00 0.00 H new ATOM 0 HH21 ARG A 90 3.461 18.507 -5.411 1.00 0.00 H new ATOM 0 HH22 ARG A 90 3.248 19.533 -6.833 1.00 0.00 H new ATOM 1376 N VAL A 91 7.813 15.074 -1.558 1.00 0.00 N ATOM 1377 CA VAL A 91 7.695 15.197 -0.138 1.00 0.00 C ATOM 1378 C VAL A 91 8.863 14.486 0.453 1.00 0.00 C ATOM 1379 O VAL A 91 9.420 15.016 1.413 1.00 0.00 O ATOM 1380 CB VAL A 91 6.419 14.588 0.364 1.00 0.00 C ATOM 1381 CG1 VAL A 91 6.467 14.292 1.872 1.00 0.00 C ATOM 1382 CG2 VAL A 91 5.176 15.485 0.243 1.00 0.00 C ATOM 0 H VAL A 91 6.978 14.618 -1.926 1.00 0.00 H new ATOM 0 HA VAL A 91 7.677 16.249 0.146 1.00 0.00 H new ATOM 0 HB VAL A 91 6.338 13.703 -0.267 1.00 0.00 H new ATOM 0 HG11 VAL A 91 5.521 13.852 2.187 1.00 0.00 H new ATOM 0 HG12 VAL A 91 7.278 13.594 2.080 1.00 0.00 H new ATOM 0 HG13 VAL A 91 6.636 15.219 2.420 1.00 0.00 H new ATOM 0 HG21 VAL A 91 4.306 14.956 0.632 1.00 0.00 H new ATOM 0 HG22 VAL A 91 5.330 16.400 0.816 1.00 0.00 H new ATOM 0 HG23 VAL A 91 5.009 15.736 -0.804 1.00 0.00 H new ATOM 1392 N PHE A 92 9.321 13.344 -0.090 1.00 0.00 N ATOM 1393 CA PHE A 92 10.504 12.671 0.350 1.00 0.00 C ATOM 1394 C PHE A 92 11.743 13.364 -0.102 1.00 0.00 C ATOM 1395 O PHE A 92 12.553 13.686 0.765 1.00 0.00 O ATOM 1396 CB PHE A 92 10.822 11.206 0.006 1.00 0.00 C ATOM 1397 CG PHE A 92 9.917 10.361 0.835 1.00 0.00 C ATOM 1398 CD1 PHE A 92 10.152 10.132 2.170 1.00 0.00 C ATOM 1399 CD2 PHE A 92 9.100 9.475 0.173 1.00 0.00 C ATOM 1400 CE1 PHE A 92 9.515 9.134 2.869 1.00 0.00 C ATOM 1401 CE2 PHE A 92 8.345 8.585 0.900 1.00 0.00 C ATOM 1402 CZ PHE A 92 8.684 8.271 2.195 1.00 0.00 C ATOM 0 H PHE A 92 8.851 12.872 -0.863 1.00 0.00 H new ATOM 0 HA PHE A 92 10.237 12.692 1.406 1.00 0.00 H new ATOM 0 HB2 PHE A 92 10.664 11.015 -1.055 1.00 0.00 H new ATOM 0 HB3 PHE A 92 11.866 10.977 0.219 1.00 0.00 H new ATOM 0 HD1 PHE A 92 10.863 10.759 2.688 1.00 0.00 H new ATOM 0 HD2 PHE A 92 9.052 9.478 -0.906 1.00 0.00 H new ATOM 0 HE1 PHE A 92 9.666 9.029 3.933 1.00 0.00 H new ATOM 0 HE2 PHE A 92 7.477 8.128 0.449 1.00 0.00 H new ATOM 0 HZ PHE A 92 8.309 7.375 2.668 1.00 0.00 H new ATOM 1412 N ASP A 93 11.911 13.665 -1.402 1.00 0.00 N ATOM 1413 CA ASP A 93 13.092 14.230 -1.977 1.00 0.00 C ATOM 1414 C ASP A 93 13.310 15.670 -1.659 1.00 0.00 C ATOM 1415 O ASP A 93 12.761 16.567 -2.296 1.00 0.00 O ATOM 1416 CB ASP A 93 13.042 14.013 -3.499 1.00 0.00 C ATOM 1417 CG ASP A 93 14.338 14.237 -4.266 1.00 0.00 C ATOM 1418 OD1 ASP A 93 15.409 14.307 -3.606 1.00 0.00 O ATOM 1419 OD2 ASP A 93 14.318 14.296 -5.525 1.00 0.00 O ATOM 0 H ASP A 93 11.178 13.504 -2.093 1.00 0.00 H new ATOM 0 HA ASP A 93 13.943 13.716 -1.530 1.00 0.00 H new ATOM 0 HB2 ASP A 93 12.708 12.992 -3.686 1.00 0.00 H new ATOM 0 HB3 ASP A 93 12.283 14.677 -3.912 1.00 0.00 H new ATOM 1424 N LYS A 94 14.156 15.939 -0.649 1.00 0.00 N ATOM 1425 CA LYS A 94 14.201 17.209 0.007 1.00 0.00 C ATOM 1426 C LYS A 94 14.895 18.175 -0.891 1.00 0.00 C ATOM 1427 O LYS A 94 14.497 19.312 -1.139 1.00 0.00 O ATOM 1428 CB LYS A 94 14.896 17.171 1.379 1.00 0.00 C ATOM 1429 CG LYS A 94 14.131 16.400 2.456 1.00 0.00 C ATOM 1430 CD LYS A 94 14.676 16.647 3.864 1.00 0.00 C ATOM 1431 CE LYS A 94 14.651 18.048 4.479 1.00 0.00 C ATOM 1432 NZ LYS A 94 13.290 18.556 4.757 1.00 0.00 N ATOM 0 H LYS A 94 14.823 15.261 -0.280 1.00 0.00 H new ATOM 0 HA LYS A 94 13.174 17.516 0.203 1.00 0.00 H new ATOM 0 HB2 LYS A 94 15.882 16.722 1.260 1.00 0.00 H new ATOM 0 HB3 LYS A 94 15.050 18.194 1.723 1.00 0.00 H new ATOM 0 HG2 LYS A 94 13.080 16.686 2.423 1.00 0.00 H new ATOM 0 HG3 LYS A 94 14.178 15.334 2.235 1.00 0.00 H new ATOM 0 HD2 LYS A 94 14.127 15.991 4.540 1.00 0.00 H new ATOM 0 HD3 LYS A 94 15.714 16.314 3.869 1.00 0.00 H new ATOM 0 HE2 LYS A 94 15.221 18.037 5.408 1.00 0.00 H new ATOM 0 HE3 LYS A 94 15.156 18.739 3.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 13.353 19.508 5.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 12.748 18.599 3.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 12.811 17.918 5.425 1.00 0.00 H new ATOM 1446 N ASP A 95 16.078 17.773 -1.388 1.00 0.00 N ATOM 1447 CA ASP A 95 16.813 18.466 -2.401 1.00 0.00 C ATOM 1448 C ASP A 95 16.259 18.617 -3.776 1.00 0.00 C ATOM 1449 O ASP A 95 16.449 19.607 -4.481 1.00 0.00 O ATOM 1450 CB ASP A 95 18.284 18.019 -2.427 1.00 0.00 C ATOM 1451 CG ASP A 95 18.522 16.581 -2.864 1.00 0.00 C ATOM 1452 OD1 ASP A 95 17.907 16.107 -3.856 1.00 0.00 O ATOM 1453 OD2 ASP A 95 19.129 15.794 -2.089 1.00 0.00 O ATOM 0 H ASP A 95 16.545 16.924 -1.068 1.00 0.00 H new ATOM 0 HA ASP A 95 16.705 19.492 -2.048 1.00 0.00 H new ATOM 0 HB2 ASP A 95 18.835 18.680 -3.096 1.00 0.00 H new ATOM 0 HB3 ASP A 95 18.704 18.152 -1.430 1.00 0.00 H new ATOM 1458 N GLY A 96 15.523 17.545 -4.118 1.00 0.00 N ATOM 1459 CA GLY A 96 14.891 17.472 -5.399 1.00 0.00 C ATOM 1460 C GLY A 96 15.778 17.129 -6.546 1.00 0.00 C ATOM 1461 O GLY A 96 15.356 17.349 -7.680 1.00 0.00 O ATOM 0 H GLY A 96 15.366 16.737 -3.516 1.00 0.00 H new ATOM 0 HA2 GLY A 96 14.094 16.730 -5.347 1.00 0.00 H new ATOM 0 HA3 GLY A 96 14.419 18.433 -5.605 1.00 0.00 H new ATOM 1465 N ASN A 97 16.826 16.301 -6.384 1.00 0.00 N ATOM 1466 CA ASN A 97 17.630 15.849 -7.476 1.00 0.00 C ATOM 1467 C ASN A 97 16.989 14.782 -8.295 1.00 0.00 C ATOM 1468 O ASN A 97 17.453 14.334 -9.343 1.00 0.00 O ATOM 1469 CB ASN A 97 19.021 15.431 -6.972 1.00 0.00 C ATOM 1470 CG ASN A 97 19.122 14.207 -6.072 1.00 0.00 C ATOM 1471 OD1 ASN A 97 18.220 13.758 -5.367 1.00 0.00 O ATOM 1472 ND2 ASN A 97 20.375 13.679 -6.082 1.00 0.00 N ATOM 0 H ASN A 97 17.120 15.939 -5.477 1.00 0.00 H new ATOM 0 HA ASN A 97 17.740 16.693 -8.157 1.00 0.00 H new ATOM 0 HB2 ASN A 97 19.652 15.257 -7.843 1.00 0.00 H new ATOM 0 HB3 ASN A 97 19.448 16.277 -6.433 1.00 0.00 H new ATOM 0 HD21 ASN A 97 20.596 12.879 -5.489 1.00 0.00 H new ATOM 0 HD22 ASN A 97 21.094 14.083 -6.683 1.00 0.00 H new ATOM 1479 N GLY A 98 15.934 14.160 -7.738 1.00 0.00 N ATOM 1480 CA GLY A 98 15.170 13.068 -8.256 1.00 0.00 C ATOM 1481 C GLY A 98 15.519 11.719 -7.729 1.00 0.00 C ATOM 1482 O GLY A 98 15.096 10.697 -8.267 1.00 0.00 O ATOM 0 H GLY A 98 15.582 14.456 -6.828 1.00 0.00 H new ATOM 0 HA2 GLY A 98 14.117 13.256 -8.048 1.00 0.00 H new ATOM 0 HA3 GLY A 98 15.283 13.053 -9.340 1.00 0.00 H new ATOM 1486 N TYR A 99 16.367 11.714 -6.684 1.00 0.00 N ATOM 1487 CA TYR A 99 16.869 10.532 -6.056 1.00 0.00 C ATOM 1488 C TYR A 99 16.684 10.686 -4.586 1.00 0.00 C ATOM 1489 O TYR A 99 17.377 11.492 -3.967 1.00 0.00 O ATOM 1490 CB TYR A 99 18.324 10.222 -6.447 1.00 0.00 C ATOM 1491 CG TYR A 99 18.550 10.222 -7.919 1.00 0.00 C ATOM 1492 CD1 TYR A 99 18.181 9.089 -8.606 1.00 0.00 C ATOM 1493 CD2 TYR A 99 19.179 11.251 -8.581 1.00 0.00 C ATOM 1494 CE1 TYR A 99 18.264 9.033 -9.978 1.00 0.00 C ATOM 1495 CE2 TYR A 99 19.307 11.176 -9.948 1.00 0.00 C ATOM 1496 CZ TYR A 99 18.749 10.132 -10.648 1.00 0.00 C ATOM 1497 OH TYR A 99 18.793 10.180 -12.057 1.00 0.00 O ATOM 0 H TYR A 99 16.718 12.572 -6.259 1.00 0.00 H new ATOM 0 HA TYR A 99 16.309 9.665 -6.405 1.00 0.00 H new ATOM 0 HB2 TYR A 99 18.982 10.958 -5.985 1.00 0.00 H new ATOM 0 HB3 TYR A 99 18.602 9.248 -6.043 1.00 0.00 H new ATOM 0 HD1 TYR A 99 17.820 8.230 -8.060 1.00 0.00 H new ATOM 0 HD2 TYR A 99 19.565 12.101 -8.038 1.00 0.00 H new ATOM 0 HE1 TYR A 99 17.956 8.148 -10.516 1.00 0.00 H new ATOM 0 HE2 TYR A 99 19.851 11.944 -10.477 1.00 0.00 H new ATOM 0 HH TYR A 99 19.167 11.039 -12.344 1.00 0.00 H new ATOM 1507 N ILE A 100 15.763 9.907 -3.991 1.00 0.00 N ATOM 1508 CA ILE A 100 15.740 9.783 -2.566 1.00 0.00 C ATOM 1509 C ILE A 100 16.860 9.047 -1.914 1.00 0.00 C ATOM 1510 O ILE A 100 17.178 7.997 -2.470 1.00 0.00 O ATOM 1511 CB ILE A 100 14.483 9.181 -2.011 1.00 0.00 C ATOM 1512 CG1 ILE A 100 13.218 9.923 -2.475 1.00 0.00 C ATOM 1513 CG2 ILE A 100 14.402 8.768 -0.532 1.00 0.00 C ATOM 1514 CD1 ILE A 100 11.944 9.080 -2.451 1.00 0.00 C ATOM 0 H ILE A 100 15.048 9.373 -4.484 1.00 0.00 H new ATOM 0 HA ILE A 100 15.832 10.841 -2.319 1.00 0.00 H new ATOM 0 HB ILE A 100 14.542 8.197 -2.475 1.00 0.00 H new ATOM 0 HG12 ILE A 100 13.072 10.797 -1.841 1.00 0.00 H new ATOM 0 HG13 ILE A 100 13.378 10.288 -3.490 1.00 0.00 H new ATOM 0 HG21 ILE A 100 13.415 8.354 -0.323 1.00 0.00 H new ATOM 0 HG22 ILE A 100 15.163 8.016 -0.322 1.00 0.00 H new ATOM 0 HG23 ILE A 100 14.571 9.641 0.099 1.00 0.00 H new ATOM 0 HD11 ILE A 100 11.103 9.682 -2.793 1.00 0.00 H new ATOM 0 HD12 ILE A 100 12.065 8.219 -3.108 1.00 0.00 H new ATOM 0 HD13 ILE A 100 11.754 8.736 -1.434 1.00 0.00 H new ATOM 1526 N SER A 101 17.513 9.569 -0.861 1.00 0.00 N ATOM 1527 CA SER A 101 18.541 8.827 -0.199 1.00 0.00 C ATOM 1528 C SER A 101 18.030 8.574 1.178 1.00 0.00 C ATOM 1529 O SER A 101 16.947 9.050 1.516 1.00 0.00 O ATOM 1530 CB SER A 101 19.753 9.769 -0.101 1.00 0.00 C ATOM 1531 OG SER A 101 19.568 11.035 0.515 1.00 0.00 O ATOM 0 H SER A 101 17.333 10.494 -0.471 1.00 0.00 H new ATOM 0 HA SER A 101 18.805 7.899 -0.706 1.00 0.00 H new ATOM 0 HB2 SER A 101 20.539 9.245 0.443 1.00 0.00 H new ATOM 0 HB3 SER A 101 20.124 9.941 -1.111 1.00 0.00 H new ATOM 0 HG SER A 101 19.006 11.598 -0.057 1.00 0.00 H new ATOM 1537 N ALA A 102 18.753 7.714 1.917 1.00 0.00 N ATOM 1538 CA ALA A 102 18.353 7.383 3.249 1.00 0.00 C ATOM 1539 C ALA A 102 17.989 8.454 4.219 1.00 0.00 C ATOM 1540 O ALA A 102 17.027 8.384 4.983 1.00 0.00 O ATOM 1541 CB ALA A 102 19.448 6.471 3.828 1.00 0.00 C ATOM 0 H ALA A 102 19.605 7.253 1.597 1.00 0.00 H new ATOM 0 HA ALA A 102 17.376 6.916 3.124 1.00 0.00 H new ATOM 0 HB1 ALA A 102 19.186 6.191 4.848 1.00 0.00 H new ATOM 0 HB2 ALA A 102 19.535 5.573 3.216 1.00 0.00 H new ATOM 0 HB3 ALA A 102 20.400 7.002 3.831 1.00 0.00 H new ATOM 1547 N ALA A 103 18.663 9.617 4.181 1.00 0.00 N ATOM 1548 CA ALA A 103 18.353 10.755 4.990 1.00 0.00 C ATOM 1549 C ALA A 103 17.015 11.391 4.833 1.00 0.00 C ATOM 1550 O ALA A 103 16.182 11.563 5.722 1.00 0.00 O ATOM 1551 CB ALA A 103 19.333 11.853 4.543 1.00 0.00 C ATOM 0 H ALA A 103 19.458 9.771 3.560 1.00 0.00 H new ATOM 0 HA ALA A 103 18.400 10.387 6.015 1.00 0.00 H new ATOM 0 HB1 ALA A 103 19.154 12.759 5.122 1.00 0.00 H new ATOM 0 HB2 ALA A 103 20.357 11.515 4.705 1.00 0.00 H new ATOM 0 HB3 ALA A 103 19.184 12.064 3.484 1.00 0.00 H new ATOM 1557 N GLU A 104 16.671 11.504 3.538 1.00 0.00 N ATOM 1558 CA GLU A 104 15.414 11.955 3.028 1.00 0.00 C ATOM 1559 C GLU A 104 14.275 11.069 3.401 1.00 0.00 C ATOM 1560 O GLU A 104 13.238 11.487 3.913 1.00 0.00 O ATOM 1561 CB GLU A 104 15.530 12.211 1.516 1.00 0.00 C ATOM 1562 CG GLU A 104 16.851 12.907 1.186 1.00 0.00 C ATOM 1563 CD GLU A 104 16.961 13.282 -0.285 1.00 0.00 C ATOM 1564 OE1 GLU A 104 16.360 14.242 -0.837 1.00 0.00 O ATOM 1565 OE2 GLU A 104 17.730 12.566 -0.979 1.00 0.00 O ATOM 0 H GLU A 104 17.323 11.261 2.792 1.00 0.00 H new ATOM 0 HA GLU A 104 15.171 12.903 3.508 1.00 0.00 H new ATOM 0 HB2 GLU A 104 15.466 11.266 0.976 1.00 0.00 H new ATOM 0 HB3 GLU A 104 14.695 12.827 1.181 1.00 0.00 H new ATOM 0 HG2 GLU A 104 16.946 13.806 1.795 1.00 0.00 H new ATOM 0 HG3 GLU A 104 17.680 12.252 1.453 1.00 0.00 H new ATOM 1572 N LEU A 105 14.462 9.748 3.235 1.00 0.00 N ATOM 1573 CA LEU A 105 13.518 8.800 3.740 1.00 0.00 C ATOM 1574 C LEU A 105 13.357 8.900 5.218 1.00 0.00 C ATOM 1575 O LEU A 105 12.228 8.717 5.669 1.00 0.00 O ATOM 1576 CB LEU A 105 13.878 7.426 3.151 1.00 0.00 C ATOM 1577 CG LEU A 105 12.608 6.560 3.117 1.00 0.00 C ATOM 1578 CD1 LEU A 105 11.883 6.653 1.763 1.00 0.00 C ATOM 1579 CD2 LEU A 105 12.856 5.095 3.513 1.00 0.00 C ATOM 0 H LEU A 105 15.262 9.337 2.754 1.00 0.00 H new ATOM 0 HA LEU A 105 12.501 9.011 3.409 1.00 0.00 H new ATOM 0 HB2 LEU A 105 14.285 7.540 2.146 1.00 0.00 H new ATOM 0 HB3 LEU A 105 14.648 6.945 3.755 1.00 0.00 H new ATOM 0 HG LEU A 105 11.952 6.978 3.880 1.00 0.00 H new ATOM 0 HD11 LEU A 105 10.992 6.026 1.784 1.00 0.00 H new ATOM 0 HD12 LEU A 105 11.595 7.687 1.575 1.00 0.00 H new ATOM 0 HD13 LEU A 105 12.548 6.312 0.970 1.00 0.00 H new ATOM 0 HD21 LEU A 105 11.918 4.542 3.467 1.00 0.00 H new ATOM 0 HD22 LEU A 105 13.574 4.649 2.825 1.00 0.00 H new ATOM 0 HD23 LEU A 105 13.252 5.054 4.528 1.00 0.00 H new ATOM 1591 N ARG A 106 14.306 9.255 6.102 1.00 0.00 N ATOM 1592 CA ARG A 106 14.134 9.294 7.521 1.00 0.00 C ATOM 1593 C ARG A 106 13.507 10.571 7.963 1.00 0.00 C ATOM 1594 O ARG A 106 12.687 10.555 8.880 1.00 0.00 O ATOM 1595 CB ARG A 106 15.420 9.084 8.339 1.00 0.00 C ATOM 1596 CG ARG A 106 15.321 9.245 9.857 1.00 0.00 C ATOM 1597 CD ARG A 106 16.446 8.563 10.637 1.00 0.00 C ATOM 1598 NE ARG A 106 16.220 8.897 12.071 1.00 0.00 N ATOM 1599 CZ ARG A 106 17.195 9.418 12.871 1.00 0.00 C ATOM 1600 NH1 ARG A 106 18.446 9.438 12.327 1.00 0.00 N ATOM 1601 NH2 ARG A 106 16.971 9.873 14.139 1.00 0.00 N ATOM 0 H ARG A 106 15.244 9.530 5.811 1.00 0.00 H new ATOM 0 HA ARG A 106 13.479 8.446 7.722 1.00 0.00 H new ATOM 0 HB2 ARG A 106 15.793 8.081 8.130 1.00 0.00 H new ATOM 0 HB3 ARG A 106 16.170 9.785 7.974 1.00 0.00 H new ATOM 0 HG2 ARG A 106 15.320 10.308 10.099 1.00 0.00 H new ATOM 0 HG3 ARG A 106 14.366 8.841 10.192 1.00 0.00 H new ATOM 0 HD2 ARG A 106 16.429 7.484 10.481 1.00 0.00 H new ATOM 0 HD3 ARG A 106 17.421 8.918 10.304 1.00 0.00 H new ATOM 0 HE ARG A 106 15.297 8.729 12.472 1.00 0.00 H new ATOM 0 HH11 ARG A 106 18.598 9.079 11.385 1.00 0.00 H new ATOM 0 HH12 ARG A 106 19.229 9.812 12.863 1.00 0.00 H new ATOM 0 HH21 ARG A 106 16.033 9.834 14.537 1.00 0.00 H new ATOM 0 HH22 ARG A 106 17.742 10.252 14.688 1.00 0.00 H new ATOM 1615 N HIS A 107 13.967 11.675 7.348 1.00 0.00 N ATOM 1616 CA HIS A 107 13.475 12.987 7.634 1.00 0.00 C ATOM 1617 C HIS A 107 12.005 13.211 7.531 1.00 0.00 C ATOM 1618 O HIS A 107 11.509 14.037 8.296 1.00 0.00 O ATOM 1619 CB HIS A 107 14.154 14.077 6.788 1.00 0.00 C ATOM 1620 CG HIS A 107 15.634 14.264 6.938 1.00 0.00 C ATOM 1621 ND1 HIS A 107 16.110 14.285 8.233 1.00 0.00 N ATOM 1622 CD2 HIS A 107 16.688 14.525 6.118 1.00 0.00 C ATOM 1623 CE1 HIS A 107 17.432 14.586 8.128 1.00 0.00 C ATOM 1624 NE2 HIS A 107 17.829 14.698 6.874 1.00 0.00 N ATOM 0 H HIS A 107 14.697 11.656 6.636 1.00 0.00 H new ATOM 0 HA HIS A 107 13.734 13.062 8.690 1.00 0.00 H new ATOM 0 HB2 HIS A 107 13.949 13.862 5.739 1.00 0.00 H new ATOM 0 HB3 HIS A 107 13.672 15.027 7.018 1.00 0.00 H new ATOM 0 HD2 HIS A 107 16.639 14.587 5.041 1.00 0.00 H new ATOM 0 HE1 HIS A 107 18.086 14.719 8.977 1.00 0.00 H new ATOM 0 HE2 HIS A 107 18.775 14.874 6.537 1.00 0.00 H new ATOM 1632 N VAL A 108 11.313 12.409 6.703 1.00 0.00 N ATOM 1633 CA VAL A 108 9.895 12.509 6.551 1.00 0.00 C ATOM 1634 C VAL A 108 9.204 11.600 7.509 1.00 0.00 C ATOM 1635 O VAL A 108 8.243 12.008 8.160 1.00 0.00 O ATOM 1636 CB VAL A 108 9.536 12.274 5.114 1.00 0.00 C ATOM 1637 CG1 VAL A 108 8.025 12.444 4.883 1.00 0.00 C ATOM 1638 CG2 VAL A 108 10.276 13.378 4.341 1.00 0.00 C ATOM 0 H VAL A 108 11.743 11.682 6.131 1.00 0.00 H new ATOM 0 HA VAL A 108 9.549 13.512 6.802 1.00 0.00 H new ATOM 0 HB VAL A 108 9.804 11.265 4.801 1.00 0.00 H new ATOM 0 HG11 VAL A 108 7.795 12.267 3.832 1.00 0.00 H new ATOM 0 HG12 VAL A 108 7.480 11.728 5.499 1.00 0.00 H new ATOM 0 HG13 VAL A 108 7.727 13.457 5.154 1.00 0.00 H new ATOM 0 HG21 VAL A 108 10.067 13.279 3.276 1.00 0.00 H new ATOM 0 HG22 VAL A 108 9.938 14.354 4.688 1.00 0.00 H new ATOM 0 HG23 VAL A 108 11.349 13.284 4.510 1.00 0.00 H new ATOM 1648 N MET A 109 9.691 10.366 7.729 1.00 0.00 N ATOM 1649 CA MET A 109 9.231 9.366 8.641 1.00 0.00 C ATOM 1650 C MET A 109 9.282 9.898 10.031 1.00 0.00 C ATOM 1651 O MET A 109 8.316 9.740 10.776 1.00 0.00 O ATOM 1652 CB MET A 109 10.032 8.101 8.286 1.00 0.00 C ATOM 1653 CG MET A 109 9.704 7.454 6.939 1.00 0.00 C ATOM 1654 SD MET A 109 8.118 6.588 6.742 1.00 0.00 S ATOM 1655 CE MET A 109 8.713 5.154 5.800 1.00 0.00 C ATOM 0 H MET A 109 10.501 10.035 7.205 1.00 0.00 H new ATOM 0 HA MET A 109 8.181 9.085 8.564 1.00 0.00 H new ATOM 0 HB2 MET A 109 11.093 8.352 8.297 1.00 0.00 H new ATOM 0 HB3 MET A 109 9.871 7.361 9.070 1.00 0.00 H new ATOM 0 HG2 MET A 109 9.750 8.234 6.179 1.00 0.00 H new ATOM 0 HG3 MET A 109 10.498 6.742 6.713 1.00 0.00 H new ATOM 0 HE1 MET A 109 7.876 4.492 5.578 1.00 0.00 H new ATOM 0 HE2 MET A 109 9.165 5.493 4.868 1.00 0.00 H new ATOM 0 HE3 MET A 109 9.456 4.615 6.388 1.00 0.00 H new ATOM 1665 N THR A 110 10.307 10.694 10.383 1.00 0.00 N ATOM 1666 CA THR A 110 10.295 11.319 11.669 1.00 0.00 C ATOM 1667 C THR A 110 9.241 12.365 11.787 1.00 0.00 C ATOM 1668 O THR A 110 8.741 12.590 12.888 1.00 0.00 O ATOM 1669 CB THR A 110 11.566 12.054 11.980 1.00 0.00 C ATOM 1670 OG1 THR A 110 12.098 12.809 10.901 1.00 0.00 O ATOM 1671 CG2 THR A 110 12.619 11.043 12.465 1.00 0.00 C ATOM 0 H THR A 110 11.118 10.901 9.800 1.00 0.00 H new ATOM 0 HA THR A 110 10.131 10.482 12.348 1.00 0.00 H new ATOM 0 HB THR A 110 11.315 12.782 12.751 1.00 0.00 H new ATOM 0 HG1 THR A 110 11.389 12.993 10.250 1.00 0.00 H new ATOM 0 HG21 THR A 110 13.547 11.566 12.694 1.00 0.00 H new ATOM 0 HG22 THR A 110 12.255 10.540 13.361 1.00 0.00 H new ATOM 0 HG23 THR A 110 12.802 10.305 11.684 1.00 0.00 H new ATOM 1679 N ASN A 111 8.767 13.057 10.735 1.00 0.00 N ATOM 1680 CA ASN A 111 7.695 13.997 10.848 1.00 0.00 C ATOM 1681 C ASN A 111 6.337 13.410 11.021 1.00 0.00 C ATOM 1682 O ASN A 111 5.464 14.030 11.627 1.00 0.00 O ATOM 1683 CB ASN A 111 7.724 14.854 9.572 1.00 0.00 C ATOM 1684 CG ASN A 111 7.147 16.239 9.829 1.00 0.00 C ATOM 1685 OD1 ASN A 111 7.038 16.648 10.984 1.00 0.00 O ATOM 1686 ND2 ASN A 111 6.831 17.067 8.798 1.00 0.00 N ATOM 0 H ASN A 111 9.135 12.962 9.789 1.00 0.00 H new ATOM 0 HA ASN A 111 7.860 14.567 11.762 1.00 0.00 H new ATOM 0 HB2 ASN A 111 8.750 14.945 9.214 1.00 0.00 H new ATOM 0 HB3 ASN A 111 7.154 14.360 8.785 1.00 0.00 H new ATOM 0 HD21 ASN A 111 6.508 18.016 8.987 1.00 0.00 H new ATOM 0 HD22 ASN A 111 6.917 16.739 7.836 1.00 0.00 H new ATOM 1693 N LEU A 112 6.186 12.252 10.353 1.00 0.00 N ATOM 1694 CA LEU A 112 4.995 11.465 10.434 1.00 0.00 C ATOM 1695 C LEU A 112 4.962 10.769 11.751 1.00 0.00 C ATOM 1696 O LEU A 112 3.896 10.323 12.175 1.00 0.00 O ATOM 1697 CB LEU A 112 4.976 10.381 9.343 1.00 0.00 C ATOM 1698 CG LEU A 112 4.940 10.939 7.910 1.00 0.00 C ATOM 1699 CD1 LEU A 112 5.369 9.874 6.886 1.00 0.00 C ATOM 1700 CD2 LEU A 112 3.579 11.531 7.507 1.00 0.00 C ATOM 0 H LEU A 112 6.904 11.856 9.746 1.00 0.00 H new ATOM 0 HA LEU A 112 4.141 12.130 10.308 1.00 0.00 H new ATOM 0 HB2 LEU A 112 5.859 9.751 9.455 1.00 0.00 H new ATOM 0 HB3 LEU A 112 4.107 9.741 9.495 1.00 0.00 H new ATOM 0 HG LEU A 112 5.655 11.761 7.905 1.00 0.00 H new ATOM 0 HD11 LEU A 112 5.333 10.299 5.883 1.00 0.00 H new ATOM 0 HD12 LEU A 112 6.385 9.547 7.105 1.00 0.00 H new ATOM 0 HD13 LEU A 112 4.693 9.021 6.943 1.00 0.00 H new ATOM 0 HD21 LEU A 112 3.633 11.904 6.484 1.00 0.00 H new ATOM 0 HD22 LEU A 112 2.813 10.759 7.572 1.00 0.00 H new ATOM 0 HD23 LEU A 112 3.326 12.351 8.179 1.00 0.00 H new ATOM 1712 N GLY A 113 6.059 10.642 12.519 1.00 0.00 N ATOM 1713 CA GLY A 113 6.184 9.970 13.775 1.00 0.00 C ATOM 1714 C GLY A 113 6.131 8.482 13.742 1.00 0.00 C ATOM 1715 O GLY A 113 5.666 7.871 14.703 1.00 0.00 O ATOM 0 H GLY A 113 6.946 11.052 12.228 1.00 0.00 H new ATOM 0 HA2 GLY A 113 7.130 10.267 14.228 1.00 0.00 H new ATOM 0 HA3 GLY A 113 5.390 10.325 14.432 1.00 0.00 H new ATOM 1719 N GLU A 114 6.533 7.770 12.674 1.00 0.00 N ATOM 1720 CA GLU A 114 6.701 6.350 12.627 1.00 0.00 C ATOM 1721 C GLU A 114 8.079 6.005 13.077 1.00 0.00 C ATOM 1722 O GLU A 114 8.930 6.555 12.380 1.00 0.00 O ATOM 1723 CB GLU A 114 6.350 5.769 11.248 1.00 0.00 C ATOM 1724 CG GLU A 114 6.042 4.271 11.292 1.00 0.00 C ATOM 1725 CD GLU A 114 4.704 3.960 11.949 1.00 0.00 C ATOM 1726 OE1 GLU A 114 3.625 4.340 11.421 1.00 0.00 O ATOM 1727 OE2 GLU A 114 4.629 3.337 13.041 1.00 0.00 O ATOM 0 H GLU A 114 6.755 8.217 11.784 1.00 0.00 H new ATOM 0 HA GLU A 114 5.995 5.883 13.313 1.00 0.00 H new ATOM 0 HB2 GLU A 114 5.488 6.300 10.845 1.00 0.00 H new ATOM 0 HB3 GLU A 114 7.180 5.944 10.564 1.00 0.00 H new ATOM 0 HG2 GLU A 114 6.043 3.875 10.276 1.00 0.00 H new ATOM 0 HG3 GLU A 114 6.836 3.758 11.835 1.00 0.00 H new ATOM 1734 N LYS A 115 8.330 5.242 14.157 1.00 0.00 N ATOM 1735 CA LYS A 115 9.600 5.266 14.814 1.00 0.00 C ATOM 1736 C LYS A 115 10.542 4.234 14.299 1.00 0.00 C ATOM 1737 O LYS A 115 10.423 3.044 14.589 1.00 0.00 O ATOM 1738 CB LYS A 115 9.477 5.048 16.331 1.00 0.00 C ATOM 1739 CG LYS A 115 10.741 4.989 17.191 1.00 0.00 C ATOM 1740 CD LYS A 115 10.339 4.335 18.515 1.00 0.00 C ATOM 1741 CE LYS A 115 11.376 4.356 19.640 1.00 0.00 C ATOM 1742 NZ LYS A 115 12.599 3.658 19.185 1.00 0.00 N ATOM 0 H LYS A 115 7.651 4.607 14.576 1.00 0.00 H new ATOM 0 HA LYS A 115 9.992 6.261 14.602 1.00 0.00 H new ATOM 0 HB2 LYS A 115 8.851 5.848 16.726 1.00 0.00 H new ATOM 0 HB3 LYS A 115 8.935 4.115 16.483 1.00 0.00 H new ATOM 0 HG2 LYS A 115 11.521 4.411 16.695 1.00 0.00 H new ATOM 0 HG3 LYS A 115 11.143 5.988 17.359 1.00 0.00 H new ATOM 0 HD2 LYS A 115 9.436 4.828 18.876 1.00 0.00 H new ATOM 0 HD3 LYS A 115 10.077 3.296 18.315 1.00 0.00 H new ATOM 0 HE2 LYS A 115 11.611 5.384 19.916 1.00 0.00 H new ATOM 0 HE3 LYS A 115 10.975 3.871 20.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 13.282 3.609 19.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 12.355 2.695 18.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 13.020 4.179 18.389 1.00 0.00 H new ATOM 1756 N LEU A 116 11.341 4.680 13.313 1.00 0.00 N ATOM 1757 CA LEU A 116 12.212 3.846 12.545 1.00 0.00 C ATOM 1758 C LEU A 116 13.616 4.200 12.898 1.00 0.00 C ATOM 1759 O LEU A 116 13.895 5.390 13.031 1.00 0.00 O ATOM 1760 CB LEU A 116 11.932 4.033 11.044 1.00 0.00 C ATOM 1761 CG LEU A 116 10.457 3.807 10.674 1.00 0.00 C ATOM 1762 CD1 LEU A 116 10.142 4.231 9.230 1.00 0.00 C ATOM 1763 CD2 LEU A 116 10.016 2.343 10.842 1.00 0.00 C ATOM 0 H LEU A 116 11.382 5.662 13.040 1.00 0.00 H new ATOM 0 HA LEU A 116 12.043 2.793 12.770 1.00 0.00 H new ATOM 0 HB2 LEU A 116 12.224 5.041 10.749 1.00 0.00 H new ATOM 0 HB3 LEU A 116 12.553 3.341 10.475 1.00 0.00 H new ATOM 0 HG LEU A 116 9.903 4.434 11.372 1.00 0.00 H new ATOM 0 HD11 LEU A 116 9.088 4.051 9.020 1.00 0.00 H new ATOM 0 HD12 LEU A 116 10.361 5.292 9.106 1.00 0.00 H new ATOM 0 HD13 LEU A 116 10.754 3.652 8.539 1.00 0.00 H new ATOM 0 HD21 LEU A 116 8.966 2.245 10.566 1.00 0.00 H new ATOM 0 HD22 LEU A 116 10.621 1.705 10.198 1.00 0.00 H new ATOM 0 HD23 LEU A 116 10.148 2.040 11.881 1.00 0.00 H new ATOM 1775 N THR A 117 14.531 3.225 13.048 1.00 0.00 N ATOM 1776 CA THR A 117 15.924 3.451 13.279 1.00 0.00 C ATOM 1777 C THR A 117 16.548 3.687 11.946 1.00 0.00 C ATOM 1778 O THR A 117 15.999 3.416 10.879 1.00 0.00 O ATOM 1779 CB THR A 117 16.713 2.412 14.018 1.00 0.00 C ATOM 1780 OG1 THR A 117 16.539 1.142 13.407 1.00 0.00 O ATOM 1781 CG2 THR A 117 16.084 2.409 15.421 1.00 0.00 C ATOM 0 H THR A 117 14.288 2.235 13.006 1.00 0.00 H new ATOM 0 HA THR A 117 15.960 4.296 13.966 1.00 0.00 H new ATOM 0 HB THR A 117 17.783 2.618 14.029 1.00 0.00 H new ATOM 0 HG1 THR A 117 15.610 0.851 13.516 1.00 0.00 H new ATOM 0 HG21 THR A 117 16.594 1.676 16.047 1.00 0.00 H new ATOM 0 HG22 THR A 117 16.184 3.399 15.867 1.00 0.00 H new ATOM 0 HG23 THR A 117 15.028 2.150 15.346 1.00 0.00 H new ATOM 1789 N ASP A 118 17.808 4.157 11.955 1.00 0.00 N ATOM 1790 CA ASP A 118 18.471 4.454 10.724 1.00 0.00 C ATOM 1791 C ASP A 118 18.724 3.225 9.920 1.00 0.00 C ATOM 1792 O ASP A 118 18.638 3.136 8.696 1.00 0.00 O ATOM 1793 CB ASP A 118 19.820 5.123 11.036 1.00 0.00 C ATOM 1794 CG ASP A 118 19.739 6.591 11.429 1.00 0.00 C ATOM 1795 OD1 ASP A 118 19.266 7.373 10.562 1.00 0.00 O ATOM 1796 OD2 ASP A 118 20.141 6.970 12.561 1.00 0.00 O ATOM 0 H ASP A 118 18.359 4.329 12.796 1.00 0.00 H new ATOM 0 HA ASP A 118 17.826 5.114 10.144 1.00 0.00 H new ATOM 0 HB2 ASP A 118 20.302 4.573 11.844 1.00 0.00 H new ATOM 0 HB3 ASP A 118 20.463 5.033 10.161 1.00 0.00 H new ATOM 1801 N GLU A 119 18.948 2.097 10.618 1.00 0.00 N ATOM 1802 CA GLU A 119 18.999 0.794 10.032 1.00 0.00 C ATOM 1803 C GLU A 119 17.746 0.318 9.383 1.00 0.00 C ATOM 1804 O GLU A 119 17.714 -0.338 8.343 1.00 0.00 O ATOM 1805 CB GLU A 119 19.462 -0.311 10.998 1.00 0.00 C ATOM 1806 CG GLU A 119 20.833 -0.117 11.649 1.00 0.00 C ATOM 1807 CD GLU A 119 20.969 1.103 12.547 1.00 0.00 C ATOM 1808 OE1 GLU A 119 20.170 1.356 13.488 1.00 0.00 O ATOM 1809 OE2 GLU A 119 22.046 1.747 12.432 1.00 0.00 O ATOM 0 H GLU A 119 19.099 2.093 11.627 1.00 0.00 H new ATOM 0 HA GLU A 119 19.744 0.957 9.254 1.00 0.00 H new ATOM 0 HB2 GLU A 119 18.719 -0.406 11.790 1.00 0.00 H new ATOM 0 HB3 GLU A 119 19.472 -1.256 10.455 1.00 0.00 H new ATOM 0 HG2 GLU A 119 21.065 -1.005 12.236 1.00 0.00 H new ATOM 0 HG3 GLU A 119 21.583 -0.051 10.861 1.00 0.00 H new ATOM 1816 N GLU A 120 16.597 0.605 10.022 1.00 0.00 N ATOM 1817 CA GLU A 120 15.302 0.388 9.455 1.00 0.00 C ATOM 1818 C GLU A 120 15.091 1.227 8.242 1.00 0.00 C ATOM 1819 O GLU A 120 14.667 0.702 7.213 1.00 0.00 O ATOM 1820 CB GLU A 120 14.172 0.716 10.446 1.00 0.00 C ATOM 1821 CG GLU A 120 14.119 -0.348 11.544 1.00 0.00 C ATOM 1822 CD GLU A 120 13.284 -0.075 12.786 1.00 0.00 C ATOM 1823 OE1 GLU A 120 13.820 0.591 13.712 1.00 0.00 O ATOM 1824 OE2 GLU A 120 12.227 -0.722 13.017 1.00 0.00 O ATOM 0 H GLU A 120 16.568 1.000 10.962 1.00 0.00 H new ATOM 0 HA GLU A 120 15.269 -0.670 9.197 1.00 0.00 H new ATOM 0 HB2 GLU A 120 14.337 1.699 10.887 1.00 0.00 H new ATOM 0 HB3 GLU A 120 13.217 0.758 9.922 1.00 0.00 H new ATOM 0 HG2 GLU A 120 13.750 -1.270 11.094 1.00 0.00 H new ATOM 0 HG3 GLU A 120 15.142 -0.539 11.869 1.00 0.00 H new ATOM 1831 N VAL A 121 15.403 2.533 8.176 1.00 0.00 N ATOM 1832 CA VAL A 121 15.449 3.295 6.967 1.00 0.00 C ATOM 1833 C VAL A 121 16.318 2.684 5.922 1.00 0.00 C ATOM 1834 O VAL A 121 15.834 2.516 4.804 1.00 0.00 O ATOM 1835 CB VAL A 121 15.771 4.702 7.376 1.00 0.00 C ATOM 1836 CG1 VAL A 121 15.978 5.646 6.180 1.00 0.00 C ATOM 1837 CG2 VAL A 121 14.823 5.197 8.482 1.00 0.00 C ATOM 0 H VAL A 121 15.634 3.083 9.003 1.00 0.00 H new ATOM 0 HA VAL A 121 14.492 3.301 6.446 1.00 0.00 H new ATOM 0 HB VAL A 121 16.755 4.705 7.845 1.00 0.00 H new ATOM 0 HG11 VAL A 121 16.208 6.648 6.543 1.00 0.00 H new ATOM 0 HG12 VAL A 121 16.804 5.283 5.569 1.00 0.00 H new ATOM 0 HG13 VAL A 121 15.069 5.677 5.579 1.00 0.00 H new ATOM 0 HG21 VAL A 121 15.084 6.220 8.754 1.00 0.00 H new ATOM 0 HG22 VAL A 121 13.795 5.169 8.120 1.00 0.00 H new ATOM 0 HG23 VAL A 121 14.917 4.553 9.357 1.00 0.00 H new ATOM 1847 N ASP A 122 17.571 2.287 6.206 1.00 0.00 N ATOM 1848 CA ASP A 122 18.541 1.700 5.335 1.00 0.00 C ATOM 1849 C ASP A 122 18.003 0.501 4.633 1.00 0.00 C ATOM 1850 O ASP A 122 18.216 0.244 3.449 1.00 0.00 O ATOM 1851 CB ASP A 122 19.827 1.341 6.099 1.00 0.00 C ATOM 1852 CG ASP A 122 21.059 1.139 5.230 1.00 0.00 C ATOM 1853 OD1 ASP A 122 21.360 2.105 4.479 1.00 0.00 O ATOM 1854 OD2 ASP A 122 21.610 0.008 5.154 1.00 0.00 O ATOM 0 H ASP A 122 17.942 2.390 7.151 1.00 0.00 H new ATOM 0 HA ASP A 122 18.783 2.447 4.579 1.00 0.00 H new ATOM 0 HB2 ASP A 122 20.036 2.132 6.820 1.00 0.00 H new ATOM 0 HB3 ASP A 122 19.650 0.429 6.669 1.00 0.00 H new ATOM 1859 N GLU A 123 17.264 -0.358 5.357 1.00 0.00 N ATOM 1860 CA GLU A 123 16.614 -1.495 4.782 1.00 0.00 C ATOM 1861 C GLU A 123 15.545 -1.128 3.812 1.00 0.00 C ATOM 1862 O GLU A 123 15.371 -1.736 2.757 1.00 0.00 O ATOM 1863 CB GLU A 123 16.049 -2.240 6.003 1.00 0.00 C ATOM 1864 CG GLU A 123 15.459 -3.590 5.589 1.00 0.00 C ATOM 1865 CD GLU A 123 15.057 -4.485 6.752 1.00 0.00 C ATOM 1866 OE1 GLU A 123 14.344 -4.044 7.693 1.00 0.00 O ATOM 1867 OE2 GLU A 123 15.506 -5.662 6.769 1.00 0.00 O ATOM 0 H GLU A 123 17.115 -0.261 6.361 1.00 0.00 H new ATOM 0 HA GLU A 123 17.300 -2.101 4.190 1.00 0.00 H new ATOM 0 HB2 GLU A 123 16.838 -2.393 6.739 1.00 0.00 H new ATOM 0 HB3 GLU A 123 15.280 -1.633 6.482 1.00 0.00 H new ATOM 0 HG2 GLU A 123 14.584 -3.414 4.963 1.00 0.00 H new ATOM 0 HG3 GLU A 123 16.189 -4.118 4.975 1.00 0.00 H new ATOM 1874 N MET A 124 14.718 -0.105 4.090 1.00 0.00 N ATOM 1875 CA MET A 124 13.632 0.272 3.239 1.00 0.00 C ATOM 1876 C MET A 124 14.145 0.913 1.995 1.00 0.00 C ATOM 1877 O MET A 124 13.532 0.789 0.936 1.00 0.00 O ATOM 1878 CB MET A 124 12.738 1.265 4.001 1.00 0.00 C ATOM 1879 CG MET A 124 11.998 0.656 5.193 1.00 0.00 C ATOM 1880 SD MET A 124 10.976 1.884 6.061 1.00 0.00 S ATOM 1881 CE MET A 124 10.524 0.935 7.542 1.00 0.00 C ATOM 0 H MET A 124 14.806 0.474 4.925 1.00 0.00 H new ATOM 0 HA MET A 124 13.062 -0.614 2.960 1.00 0.00 H new ATOM 0 HB2 MET A 124 13.353 2.093 4.354 1.00 0.00 H new ATOM 0 HB3 MET A 124 12.007 1.683 3.309 1.00 0.00 H new ATOM 0 HG2 MET A 124 11.366 -0.162 4.848 1.00 0.00 H new ATOM 0 HG3 MET A 124 12.721 0.229 5.889 1.00 0.00 H new ATOM 0 HE1 MET A 124 9.731 1.455 8.079 1.00 0.00 H new ATOM 0 HE2 MET A 124 10.175 -0.055 7.247 1.00 0.00 H new ATOM 0 HE3 MET A 124 11.395 0.835 8.190 1.00 0.00 H new ATOM 1891 N ILE A 125 15.325 1.558 2.024 1.00 0.00 N ATOM 1892 CA ILE A 125 16.141 2.068 0.966 1.00 0.00 C ATOM 1893 C ILE A 125 16.624 0.885 0.200 1.00 0.00 C ATOM 1894 O ILE A 125 16.266 0.735 -0.968 1.00 0.00 O ATOM 1895 CB ILE A 125 17.279 2.930 1.428 1.00 0.00 C ATOM 1896 CG1 ILE A 125 16.639 4.187 2.040 1.00 0.00 C ATOM 1897 CG2 ILE A 125 18.050 3.312 0.154 1.00 0.00 C ATOM 1898 CD1 ILE A 125 15.908 5.118 1.074 1.00 0.00 C ATOM 0 H ILE A 125 15.766 1.746 2.925 1.00 0.00 H new ATOM 0 HA ILE A 125 15.546 2.738 0.346 1.00 0.00 H new ATOM 0 HB ILE A 125 17.938 2.449 2.151 1.00 0.00 H new ATOM 0 HG12 ILE A 125 15.934 3.871 2.809 1.00 0.00 H new ATOM 0 HG13 ILE A 125 17.421 4.759 2.540 1.00 0.00 H new ATOM 0 HG21 ILE A 125 18.898 3.944 0.418 1.00 0.00 H new ATOM 0 HG22 ILE A 125 18.410 2.408 -0.338 1.00 0.00 H new ATOM 0 HG23 ILE A 125 17.389 3.855 -0.522 1.00 0.00 H new ATOM 0 HD11 ILE A 125 15.501 5.966 1.624 1.00 0.00 H new ATOM 0 HD12 ILE A 125 16.605 5.477 0.317 1.00 0.00 H new ATOM 0 HD13 ILE A 125 15.096 4.576 0.591 1.00 0.00 H new ATOM 1910 N ARG A 126 17.470 0.018 0.783 1.00 0.00 N ATOM 1911 CA ARG A 126 18.245 -1.021 0.179 1.00 0.00 C ATOM 1912 C ARG A 126 17.327 -1.979 -0.498 1.00 0.00 C ATOM 1913 O ARG A 126 17.747 -2.580 -1.485 1.00 0.00 O ATOM 1914 CB ARG A 126 19.178 -1.788 1.131 1.00 0.00 C ATOM 1915 CG ARG A 126 20.447 -1.000 1.462 1.00 0.00 C ATOM 1916 CD ARG A 126 21.381 -1.756 2.409 1.00 0.00 C ATOM 1917 NE ARG A 126 22.431 -0.808 2.875 1.00 0.00 N ATOM 1918 CZ ARG A 126 23.438 -0.317 2.094 1.00 0.00 C ATOM 1919 NH1 ARG A 126 23.734 -0.874 0.884 1.00 0.00 N ATOM 1920 NH2 ARG A 126 24.175 0.741 2.541 1.00 0.00 N ATOM 0 H ARG A 126 17.626 0.051 1.790 1.00 0.00 H new ATOM 0 HA ARG A 126 18.908 -0.521 -0.527 1.00 0.00 H new ATOM 0 HB2 ARG A 126 18.644 -2.016 2.053 1.00 0.00 H new ATOM 0 HB3 ARG A 126 19.453 -2.740 0.678 1.00 0.00 H new ATOM 0 HG2 ARG A 126 20.979 -0.772 0.539 1.00 0.00 H new ATOM 0 HG3 ARG A 126 20.171 -0.048 1.914 1.00 0.00 H new ATOM 0 HD2 ARG A 126 20.823 -2.154 3.257 1.00 0.00 H new ATOM 0 HD3 ARG A 126 21.834 -2.606 1.899 1.00 0.00 H new ATOM 0 HE ARG A 126 22.395 -0.503 3.848 1.00 0.00 H new ATOM 0 HH11 ARG A 126 23.199 -1.674 0.546 1.00 0.00 H new ATOM 0 HH12 ARG A 126 24.491 -0.491 0.317 1.00 0.00 H new ATOM 0 HH21 ARG A 126 23.971 1.157 3.450 1.00 0.00 H new ATOM 0 HH22 ARG A 126 24.930 1.116 1.966 1.00 0.00 H new ATOM 1934 N GLU A 127 16.151 -2.252 0.096 1.00 0.00 N ATOM 1935 CA GLU A 127 15.156 -3.093 -0.493 1.00 0.00 C ATOM 1936 C GLU A 127 14.406 -2.449 -1.607 1.00 0.00 C ATOM 1937 O GLU A 127 13.993 -3.152 -2.528 1.00 0.00 O ATOM 1938 CB GLU A 127 14.250 -3.746 0.565 1.00 0.00 C ATOM 1939 CG GLU A 127 14.936 -4.825 1.405 1.00 0.00 C ATOM 1940 CD GLU A 127 13.977 -5.516 2.364 1.00 0.00 C ATOM 1941 OE1 GLU A 127 13.380 -4.835 3.239 1.00 0.00 O ATOM 1942 OE2 GLU A 127 13.861 -6.770 2.344 1.00 0.00 O ATOM 0 H GLU A 127 15.886 -1.879 1.008 1.00 0.00 H new ATOM 0 HA GLU A 127 15.698 -3.908 -0.974 1.00 0.00 H new ATOM 0 HB2 GLU A 127 13.872 -2.970 1.231 1.00 0.00 H new ATOM 0 HB3 GLU A 127 13.387 -4.186 0.065 1.00 0.00 H new ATOM 0 HG2 GLU A 127 15.381 -5.568 0.743 1.00 0.00 H new ATOM 0 HG3 GLU A 127 15.751 -4.375 1.972 1.00 0.00 H new ATOM 1949 N ALA A 128 14.170 -1.127 -1.536 1.00 0.00 N ATOM 1950 CA ALA A 128 13.741 -0.450 -2.720 1.00 0.00 C ATOM 1951 C ALA A 128 14.757 -0.243 -3.789 1.00 0.00 C ATOM 1952 O ALA A 128 14.393 -0.324 -4.961 1.00 0.00 O ATOM 1953 CB ALA A 128 13.229 0.945 -2.324 1.00 0.00 C ATOM 0 H ALA A 128 14.270 -0.549 -0.702 1.00 0.00 H new ATOM 0 HA ALA A 128 12.989 -1.114 -3.146 1.00 0.00 H new ATOM 0 HB1 ALA A 128 12.897 1.477 -3.215 1.00 0.00 H new ATOM 0 HB2 ALA A 128 12.394 0.843 -1.630 1.00 0.00 H new ATOM 0 HB3 ALA A 128 14.032 1.505 -1.845 1.00 0.00 H new ATOM 1959 N ASP A 129 16.032 0.094 -3.524 1.00 0.00 N ATOM 1960 CA ASP A 129 17.037 0.220 -4.534 1.00 0.00 C ATOM 1961 C ASP A 129 17.371 -0.970 -5.366 1.00 0.00 C ATOM 1962 O ASP A 129 17.758 -2.040 -4.899 1.00 0.00 O ATOM 1963 CB ASP A 129 18.306 0.908 -4.004 1.00 0.00 C ATOM 1964 CG ASP A 129 19.455 0.996 -4.999 1.00 0.00 C ATOM 1965 OD1 ASP A 129 19.348 1.827 -5.941 1.00 0.00 O ATOM 1966 OD2 ASP A 129 20.539 0.442 -4.675 1.00 0.00 O ATOM 0 H ASP A 129 16.373 0.284 -2.582 1.00 0.00 H new ATOM 0 HA ASP A 129 16.530 0.862 -5.254 1.00 0.00 H new ATOM 0 HB2 ASP A 129 18.047 1.916 -3.682 1.00 0.00 H new ATOM 0 HB3 ASP A 129 18.651 0.370 -3.121 1.00 0.00 H new ATOM 1971 N ILE A 130 17.216 -0.759 -6.685 1.00 0.00 N ATOM 1972 CA ILE A 130 17.521 -1.737 -7.683 1.00 0.00 C ATOM 1973 C ILE A 130 18.909 -1.460 -8.149 1.00 0.00 C ATOM 1974 O ILE A 130 19.770 -2.274 -7.817 1.00 0.00 O ATOM 1975 CB ILE A 130 16.489 -1.752 -8.770 1.00 0.00 C ATOM 1976 CG1 ILE A 130 15.147 -2.035 -8.074 1.00 0.00 C ATOM 1977 CG2 ILE A 130 16.789 -2.962 -9.671 1.00 0.00 C ATOM 1978 CD1 ILE A 130 13.963 -1.889 -9.030 1.00 0.00 C ATOM 0 H ILE A 130 16.868 0.119 -7.069 1.00 0.00 H new ATOM 0 HA ILE A 130 17.486 -2.750 -7.282 1.00 0.00 H new ATOM 0 HB ILE A 130 16.478 -0.824 -9.342 1.00 0.00 H new ATOM 0 HG12 ILE A 130 15.158 -3.044 -7.662 1.00 0.00 H new ATOM 0 HG13 ILE A 130 15.022 -1.350 -7.235 1.00 0.00 H new ATOM 0 HG21 ILE A 130 16.056 -3.006 -10.477 1.00 0.00 H new ATOM 0 HG22 ILE A 130 17.788 -2.861 -10.095 1.00 0.00 H new ATOM 0 HG23 ILE A 130 16.735 -3.877 -9.081 1.00 0.00 H new ATOM 0 HD11 ILE A 130 13.036 -2.098 -8.496 1.00 0.00 H new ATOM 0 HD12 ILE A 130 13.935 -0.872 -9.422 1.00 0.00 H new ATOM 0 HD13 ILE A 130 14.073 -2.593 -9.855 1.00 0.00 H new ATOM 1990 N ASP A 131 19.231 -0.355 -8.844 1.00 0.00 N ATOM 1991 CA ASP A 131 20.404 -0.219 -9.651 1.00 0.00 C ATOM 1992 C ASP A 131 21.672 -0.047 -8.887 1.00 0.00 C ATOM 1993 O ASP A 131 22.777 -0.031 -9.428 1.00 0.00 O ATOM 1994 CB ASP A 131 20.178 0.716 -10.851 1.00 0.00 C ATOM 1995 CG ASP A 131 20.090 2.163 -10.385 1.00 0.00 C ATOM 1996 OD1 ASP A 131 20.223 2.391 -9.153 1.00 0.00 O ATOM 1997 OD2 ASP A 131 19.894 3.098 -11.206 1.00 0.00 O ATOM 0 H ASP A 131 18.647 0.482 -8.844 1.00 0.00 H new ATOM 0 HA ASP A 131 20.584 -1.191 -10.110 1.00 0.00 H new ATOM 0 HB2 ASP A 131 20.994 0.606 -11.565 1.00 0.00 H new ATOM 0 HB3 ASP A 131 19.261 0.438 -11.370 1.00 0.00 H new ATOM 2002 N GLY A 132 21.638 0.030 -7.545 1.00 0.00 N ATOM 2003 CA GLY A 132 22.857 -0.196 -6.832 1.00 0.00 C ATOM 2004 C GLY A 132 23.577 1.001 -6.313 1.00 0.00 C ATOM 2005 O GLY A 132 24.700 1.010 -5.813 1.00 0.00 O ATOM 0 H GLY A 132 20.816 0.237 -6.978 1.00 0.00 H new ATOM 0 HA2 GLY A 132 22.638 -0.850 -5.988 1.00 0.00 H new ATOM 0 HA3 GLY A 132 23.536 -0.740 -7.489 1.00 0.00 H new ATOM 2009 N ASP A 133 22.873 2.122 -6.553 1.00 0.00 N ATOM 2010 CA ASP A 133 23.593 3.303 -6.192 1.00 0.00 C ATOM 2011 C ASP A 133 23.125 3.694 -4.832 1.00 0.00 C ATOM 2012 O ASP A 133 23.707 4.571 -4.196 1.00 0.00 O ATOM 2013 CB ASP A 133 23.286 4.510 -7.095 1.00 0.00 C ATOM 2014 CG ASP A 133 21.846 4.960 -7.292 1.00 0.00 C ATOM 2015 OD1 ASP A 133 20.833 4.428 -6.763 1.00 0.00 O ATOM 2016 OD2 ASP A 133 21.665 6.053 -7.892 1.00 0.00 O ATOM 0 H ASP A 133 21.935 2.216 -6.942 1.00 0.00 H new ATOM 0 HA ASP A 133 24.656 3.072 -6.268 1.00 0.00 H new ATOM 0 HB2 ASP A 133 23.841 5.361 -6.700 1.00 0.00 H new ATOM 0 HB3 ASP A 133 23.696 4.291 -8.081 1.00 0.00 H new ATOM 2021 N GLY A 134 22.037 3.050 -4.374 1.00 0.00 N ATOM 2022 CA GLY A 134 21.516 3.125 -3.044 1.00 0.00 C ATOM 2023 C GLY A 134 20.561 4.252 -2.848 1.00 0.00 C ATOM 2024 O GLY A 134 20.145 4.559 -1.732 1.00 0.00 O ATOM 0 H GLY A 134 21.485 2.436 -4.973 1.00 0.00 H new ATOM 0 HA2 GLY A 134 21.015 2.187 -2.804 1.00 0.00 H new ATOM 0 HA3 GLY A 134 22.343 3.233 -2.343 1.00 0.00 H new ATOM 2028 N GLN A 135 20.223 4.934 -3.957 1.00 0.00 N ATOM 2029 CA GLN A 135 19.314 6.034 -3.854 1.00 0.00 C ATOM 2030 C GLN A 135 18.075 5.589 -4.551 1.00 0.00 C ATOM 2031 O GLN A 135 18.095 4.738 -5.439 1.00 0.00 O ATOM 2032 CB GLN A 135 19.920 7.177 -4.686 1.00 0.00 C ATOM 2033 CG GLN A 135 20.974 8.041 -3.990 1.00 0.00 C ATOM 2034 CD GLN A 135 21.140 9.479 -4.459 1.00 0.00 C ATOM 2035 OE1 GLN A 135 20.789 10.421 -3.750 1.00 0.00 O ATOM 2036 NE2 GLN A 135 21.731 9.587 -5.679 1.00 0.00 N ATOM 0 H GLN A 135 20.566 4.734 -4.897 1.00 0.00 H new ATOM 0 HA GLN A 135 19.126 6.343 -2.826 1.00 0.00 H new ATOM 0 HB2 GLN A 135 20.368 6.747 -5.582 1.00 0.00 H new ATOM 0 HB3 GLN A 135 19.109 7.827 -5.016 1.00 0.00 H new ATOM 0 HG2 GLN A 135 20.740 8.062 -2.926 1.00 0.00 H new ATOM 0 HG3 GLN A 135 21.937 7.542 -4.095 1.00 0.00 H new ATOM 0 HE21 GLN A 135 21.989 8.747 -6.197 1.00 0.00 H new ATOM 0 HE22 GLN A 135 21.917 10.508 -6.076 1.00 0.00 H new ATOM 2045 N VAL A 136 16.851 5.984 -4.157 1.00 0.00 N ATOM 2046 CA VAL A 136 15.637 5.459 -4.702 1.00 0.00 C ATOM 2047 C VAL A 136 15.187 6.417 -5.750 1.00 0.00 C ATOM 2048 O VAL A 136 14.879 7.555 -5.401 1.00 0.00 O ATOM 2049 CB VAL A 136 14.644 5.122 -3.629 1.00 0.00 C ATOM 2050 CG1 VAL A 136 13.399 4.404 -4.175 1.00 0.00 C ATOM 2051 CG2 VAL A 136 15.262 4.363 -2.442 1.00 0.00 C ATOM 0 H VAL A 136 16.701 6.691 -3.437 1.00 0.00 H new ATOM 0 HA VAL A 136 15.779 4.492 -5.185 1.00 0.00 H new ATOM 0 HB VAL A 136 14.312 6.084 -3.238 1.00 0.00 H new ATOM 0 HG11 VAL A 136 12.716 4.185 -3.354 1.00 0.00 H new ATOM 0 HG12 VAL A 136 12.899 5.044 -4.902 1.00 0.00 H new ATOM 0 HG13 VAL A 136 13.698 3.473 -4.656 1.00 0.00 H new ATOM 0 HG21 VAL A 136 14.489 4.151 -1.703 1.00 0.00 H new ATOM 0 HG22 VAL A 136 15.694 3.426 -2.794 1.00 0.00 H new ATOM 0 HG23 VAL A 136 16.042 4.973 -1.986 1.00 0.00 H new ATOM 2061 N ASN A 137 15.119 6.019 -7.033 1.00 0.00 N ATOM 2062 CA ASN A 137 14.587 6.820 -8.092 1.00 0.00 C ATOM 2063 C ASN A 137 13.116 6.602 -8.176 1.00 0.00 C ATOM 2064 O ASN A 137 12.544 5.852 -7.387 1.00 0.00 O ATOM 2065 CB ASN A 137 15.361 6.821 -9.421 1.00 0.00 C ATOM 2066 CG ASN A 137 15.287 5.509 -10.189 1.00 0.00 C ATOM 2067 OD1 ASN A 137 14.228 4.940 -10.451 1.00 0.00 O ATOM 2068 ND2 ASN A 137 16.498 4.944 -10.442 1.00 0.00 N ATOM 0 H ASN A 137 15.447 5.105 -7.345 1.00 0.00 H new ATOM 0 HA ASN A 137 14.753 7.864 -7.825 1.00 0.00 H new ATOM 0 HB2 ASN A 137 14.974 7.621 -10.053 1.00 0.00 H new ATOM 0 HB3 ASN A 137 16.407 7.052 -9.219 1.00 0.00 H new ATOM 0 HD21 ASN A 137 16.550 4.017 -10.863 1.00 0.00 H new ATOM 0 HD22 ASN A 137 17.354 5.448 -10.210 1.00 0.00 H new ATOM 2075 N TYR A 138 12.409 7.254 -9.117 1.00 0.00 N ATOM 2076 CA TYR A 138 10.983 7.244 -9.221 1.00 0.00 C ATOM 2077 C TYR A 138 10.465 5.901 -9.609 1.00 0.00 C ATOM 2078 O TYR A 138 9.535 5.334 -9.038 1.00 0.00 O ATOM 2079 CB TYR A 138 10.476 8.489 -9.968 1.00 0.00 C ATOM 2080 CG TYR A 138 8.986 8.489 -9.985 1.00 0.00 C ATOM 2081 CD1 TYR A 138 8.221 7.869 -10.945 1.00 0.00 C ATOM 2082 CD2 TYR A 138 8.390 8.889 -8.812 1.00 0.00 C ATOM 2083 CE1 TYR A 138 6.849 7.823 -10.861 1.00 0.00 C ATOM 2084 CE2 TYR A 138 7.019 8.846 -8.720 1.00 0.00 C ATOM 2085 CZ TYR A 138 6.248 8.308 -9.723 1.00 0.00 C ATOM 2086 OH TYR A 138 4.851 8.428 -9.565 1.00 0.00 O ATOM 0 H TYR A 138 12.855 7.816 -9.842 1.00 0.00 H new ATOM 0 HA TYR A 138 10.518 7.366 -8.243 1.00 0.00 H new ATOM 0 HB2 TYR A 138 10.844 9.392 -9.482 1.00 0.00 H new ATOM 0 HB3 TYR A 138 10.861 8.496 -10.988 1.00 0.00 H new ATOM 0 HD1 TYR A 138 8.711 7.405 -11.788 1.00 0.00 H new ATOM 0 HD2 TYR A 138 8.987 9.230 -7.979 1.00 0.00 H new ATOM 0 HE1 TYR A 138 6.258 7.416 -11.668 1.00 0.00 H new ATOM 0 HE2 TYR A 138 6.537 9.244 -7.840 1.00 0.00 H new ATOM 0 HH TYR A 138 4.493 7.600 -9.183 1.00 0.00 H new ATOM 2096 N GLU A 139 11.278 5.145 -10.368 1.00 0.00 N ATOM 2097 CA GLU A 139 10.931 3.803 -10.720 1.00 0.00 C ATOM 2098 C GLU A 139 11.028 2.770 -9.650 1.00 0.00 C ATOM 2099 O GLU A 139 10.173 1.898 -9.500 1.00 0.00 O ATOM 2100 CB GLU A 139 11.794 3.429 -11.937 1.00 0.00 C ATOM 2101 CG GLU A 139 11.246 2.225 -12.707 1.00 0.00 C ATOM 2102 CD GLU A 139 12.080 2.018 -13.963 1.00 0.00 C ATOM 2103 OE1 GLU A 139 13.250 1.562 -13.858 1.00 0.00 O ATOM 2104 OE2 GLU A 139 11.500 2.326 -15.038 1.00 0.00 O ATOM 0 H GLU A 139 12.174 5.462 -10.738 1.00 0.00 H new ATOM 0 HA GLU A 139 9.862 3.800 -10.933 1.00 0.00 H new ATOM 0 HB2 GLU A 139 11.857 4.285 -12.608 1.00 0.00 H new ATOM 0 HB3 GLU A 139 12.808 3.210 -11.603 1.00 0.00 H new ATOM 0 HG2 GLU A 139 11.278 1.332 -12.082 1.00 0.00 H new ATOM 0 HG3 GLU A 139 10.202 2.391 -12.972 1.00 0.00 H new ATOM 2111 N GLU A 140 12.054 2.942 -8.798 1.00 0.00 N ATOM 2112 CA GLU A 140 12.381 2.015 -7.759 1.00 0.00 C ATOM 2113 C GLU A 140 11.495 2.324 -6.602 1.00 0.00 C ATOM 2114 O GLU A 140 11.254 1.432 -5.789 1.00 0.00 O ATOM 2115 CB GLU A 140 13.849 2.003 -7.300 1.00 0.00 C ATOM 2116 CG GLU A 140 14.839 2.027 -8.466 1.00 0.00 C ATOM 2117 CD GLU A 140 16.201 2.549 -8.033 1.00 0.00 C ATOM 2118 OE1 GLU A 140 16.367 3.710 -7.571 1.00 0.00 O ATOM 2119 OE2 GLU A 140 17.183 1.762 -8.085 1.00 0.00 O ATOM 0 H GLU A 140 12.675 3.750 -8.833 1.00 0.00 H new ATOM 0 HA GLU A 140 12.227 1.017 -8.169 1.00 0.00 H new ATOM 0 HB2 GLU A 140 14.031 2.865 -6.658 1.00 0.00 H new ATOM 0 HB3 GLU A 140 14.028 1.113 -6.696 1.00 0.00 H new ATOM 0 HG2 GLU A 140 14.947 1.022 -8.874 1.00 0.00 H new ATOM 0 HG3 GLU A 140 14.445 2.655 -9.266 1.00 0.00 H new ATOM 2126 N PHE A 141 10.919 3.527 -6.430 1.00 0.00 N ATOM 2127 CA PHE A 141 10.012 4.043 -5.452 1.00 0.00 C ATOM 2128 C PHE A 141 8.760 3.370 -5.900 1.00 0.00 C ATOM 2129 O PHE A 141 8.089 2.661 -5.152 1.00 0.00 O ATOM 2130 CB PHE A 141 9.937 5.577 -5.370 1.00 0.00 C ATOM 2131 CG PHE A 141 8.957 6.079 -4.365 1.00 0.00 C ATOM 2132 CD1 PHE A 141 9.260 6.097 -3.024 1.00 0.00 C ATOM 2133 CD2 PHE A 141 7.809 6.719 -4.767 1.00 0.00 C ATOM 2134 CE1 PHE A 141 8.491 6.734 -2.079 1.00 0.00 C ATOM 2135 CE2 PHE A 141 7.081 7.428 -3.841 1.00 0.00 C ATOM 2136 CZ PHE A 141 7.420 7.481 -2.509 1.00 0.00 C ATOM 0 H PHE A 141 11.135 4.263 -7.103 1.00 0.00 H new ATOM 0 HA PHE A 141 10.294 3.838 -4.419 1.00 0.00 H new ATOM 0 HB2 PHE A 141 10.925 5.967 -5.126 1.00 0.00 H new ATOM 0 HB3 PHE A 141 9.672 5.971 -6.351 1.00 0.00 H new ATOM 0 HD1 PHE A 141 10.151 5.583 -2.695 1.00 0.00 H new ATOM 0 HD2 PHE A 141 7.484 6.666 -5.795 1.00 0.00 H new ATOM 0 HE1 PHE A 141 8.722 6.650 -1.027 1.00 0.00 H new ATOM 0 HE2 PHE A 141 6.206 7.966 -4.174 1.00 0.00 H new ATOM 0 HZ PHE A 141 6.859 8.094 -1.819 1.00 0.00 H new ATOM 2146 N VAL A 142 8.363 3.507 -7.177 1.00 0.00 N ATOM 2147 CA VAL A 142 7.110 2.979 -7.621 1.00 0.00 C ATOM 2148 C VAL A 142 7.071 1.489 -7.634 1.00 0.00 C ATOM 2149 O VAL A 142 6.060 0.847 -7.355 1.00 0.00 O ATOM 2150 CB VAL A 142 6.775 3.547 -8.969 1.00 0.00 C ATOM 2151 CG1 VAL A 142 5.646 2.846 -9.743 1.00 0.00 C ATOM 2152 CG2 VAL A 142 6.420 5.037 -8.826 1.00 0.00 C ATOM 0 H VAL A 142 8.906 3.981 -7.899 1.00 0.00 H new ATOM 0 HA VAL A 142 6.352 3.284 -6.899 1.00 0.00 H new ATOM 0 HB VAL A 142 7.675 3.384 -9.561 1.00 0.00 H new ATOM 0 HG11 VAL A 142 5.496 3.346 -10.700 1.00 0.00 H new ATOM 0 HG12 VAL A 142 5.916 1.804 -9.916 1.00 0.00 H new ATOM 0 HG13 VAL A 142 4.725 2.890 -9.162 1.00 0.00 H new ATOM 0 HG21 VAL A 142 6.177 5.449 -9.806 1.00 0.00 H new ATOM 0 HG22 VAL A 142 5.561 5.144 -8.164 1.00 0.00 H new ATOM 0 HG23 VAL A 142 7.270 5.575 -8.407 1.00 0.00 H new ATOM 2162 N GLN A 143 8.214 0.834 -7.903 1.00 0.00 N ATOM 2163 CA GLN A 143 8.320 -0.591 -7.960 1.00 0.00 C ATOM 2164 C GLN A 143 8.232 -1.298 -6.651 1.00 0.00 C ATOM 2165 O GLN A 143 7.871 -2.464 -6.496 1.00 0.00 O ATOM 2166 CB GLN A 143 9.521 -1.023 -8.818 1.00 0.00 C ATOM 2167 CG GLN A 143 9.671 -2.516 -9.115 1.00 0.00 C ATOM 2168 CD GLN A 143 8.496 -3.142 -9.852 1.00 0.00 C ATOM 2169 OE1 GLN A 143 7.958 -2.638 -10.837 1.00 0.00 O ATOM 2170 NE2 GLN A 143 7.913 -4.252 -9.324 1.00 0.00 N ATOM 0 H GLN A 143 9.095 1.313 -8.087 1.00 0.00 H new ATOM 0 HA GLN A 143 7.414 -0.928 -8.464 1.00 0.00 H new ATOM 0 HB2 GLN A 143 9.463 -0.494 -9.769 1.00 0.00 H new ATOM 0 HB3 GLN A 143 10.430 -0.685 -8.320 1.00 0.00 H new ATOM 0 HG2 GLN A 143 10.574 -2.665 -9.707 1.00 0.00 H new ATOM 0 HG3 GLN A 143 9.816 -3.046 -8.174 1.00 0.00 H new ATOM 0 HE21 GLN A 143 8.324 -4.704 -8.507 1.00 0.00 H new ATOM 0 HE22 GLN A 143 7.065 -4.632 -9.745 1.00 0.00 H new ATOM 2179 N MET A 144 8.677 -0.528 -5.642 1.00 0.00 N ATOM 2180 CA MET A 144 8.431 -0.833 -4.267 1.00 0.00 C ATOM 2181 C MET A 144 7.032 -0.696 -3.773 1.00 0.00 C ATOM 2182 O MET A 144 6.736 -1.385 -2.798 1.00 0.00 O ATOM 2183 CB MET A 144 9.459 0.023 -3.509 1.00 0.00 C ATOM 2184 CG MET A 144 9.573 -0.500 -2.075 1.00 0.00 C ATOM 2185 SD MET A 144 10.629 -1.977 -1.982 1.00 0.00 S ATOM 2186 CE MET A 144 11.191 -1.776 -0.266 1.00 0.00 C ATOM 0 H MET A 144 9.219 0.324 -5.785 1.00 0.00 H new ATOM 0 HA MET A 144 8.553 -1.903 -4.097 1.00 0.00 H new ATOM 0 HB2 MET A 144 10.428 -0.023 -4.006 1.00 0.00 H new ATOM 0 HB3 MET A 144 9.151 1.069 -3.506 1.00 0.00 H new ATOM 0 HG2 MET A 144 9.982 0.281 -1.434 1.00 0.00 H new ATOM 0 HG3 MET A 144 8.580 -0.738 -1.694 1.00 0.00 H new ATOM 0 HE1 MET A 144 11.667 -2.697 0.071 1.00 0.00 H new ATOM 0 HE2 MET A 144 11.907 -0.956 -0.211 1.00 0.00 H new ATOM 0 HE3 MET A 144 10.336 -1.554 0.373 1.00 0.00 H new ATOM 2196 N MET A 145 6.148 0.061 -4.447 1.00 0.00 N ATOM 2197 CA MET A 145 4.765 0.131 -4.091 1.00 0.00 C ATOM 2198 C MET A 145 4.140 -1.147 -4.535 1.00 0.00 C ATOM 2199 O MET A 145 3.276 -1.771 -3.922 1.00 0.00 O ATOM 2200 CB MET A 145 3.990 1.349 -4.622 1.00 0.00 C ATOM 2201 CG MET A 145 4.580 2.570 -3.913 1.00 0.00 C ATOM 2202 SD MET A 145 3.801 4.150 -4.361 1.00 0.00 S ATOM 2203 CE MET A 145 4.057 4.715 -2.654 1.00 0.00 C ATOM 0 H MET A 145 6.398 0.634 -5.253 1.00 0.00 H new ATOM 0 HA MET A 145 4.712 0.270 -3.011 1.00 0.00 H new ATOM 0 HB2 MET A 145 4.096 1.437 -5.703 1.00 0.00 H new ATOM 0 HB3 MET A 145 2.924 1.254 -4.413 1.00 0.00 H new ATOM 0 HG2 MET A 145 4.491 2.428 -2.836 1.00 0.00 H new ATOM 0 HG3 MET A 145 5.645 2.627 -4.140 1.00 0.00 H new ATOM 0 HE1 MET A 145 3.837 5.780 -2.587 1.00 0.00 H new ATOM 0 HE2 MET A 145 3.395 4.165 -1.985 1.00 0.00 H new ATOM 0 HE3 MET A 145 5.093 4.539 -2.364 1.00 0.00 H new