USER MOD reduce.3.24.130724 H: found=0, std=0, add=854, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 854 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 70 ASN : amide:sc= 1.24 K(o=0.55,f=-8.6!) USER MOD Set 1.2: A 73 THR OG1 : rot 180:sc= -0.693 USER MOD Set 2.1: A 64 SER OG : rot -97:sc= 0.8 USER MOD Set 2.2: A 65 SER OG : rot -115:sc= 1.26 USER MOD Set 2.3: A 102 HIS : no HE2:sc= 0.864 K(o=2.9,f=-4.9!) USER MOD Set 3.1: A 20 HIS : no HD1:sc= 0 X(o=-0.12,f=-0.12) USER MOD Set 3.2: A 25 THR OG1 : rot 180:sc= 0.104 USER MOD Set 3.3: A 28 GLN : amide:sc= -0.227 K(o=-0.12,f=-1.5) USER MOD Set 4.1: A 16 ASN : amide:sc= 1.21 K(o=2.2,f=-0.0056) USER MOD Set 4.2: A 66 TYR OH : rot 30:sc= 0.946 USER MOD Single : A 1 GLY N :NH3+ -149:sc= 0.0582 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= -0.0173 X(o=-0.017,f=-0.017) USER MOD Single : A 4 MET CE :methyl -175:sc= 0 (180deg=-0.0123) USER MOD Single : A 7 SER OG : rot 180:sc= 0.00746 USER MOD Single : A 8 MET CE :methyl -113:sc= -1.41 (180deg=-4.8!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= -0.0366 K(o=-0.037,f=-1.7!) USER MOD Single : A 22 THR OG1 : rot 48:sc= 0.0945 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -0.728 K(o=-0.73,f=-2.6) USER MOD Single : A 30 GLN : amide:sc= -1.13 X(o=-1.1,f=-0.91) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 32 ASN : amide:sc= 1.2 K(o=1.2,f=-0.23) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 HIS : no HD1:sc= -2.47 K(o=-2.5,f=-0.49) USER MOD Single : A 43 THR OG1 : rot 121:sc= 0.475 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 HIS : no HD1:sc= -4.06! C(o=-4.1!,f=-4.1!) USER MOD Single : A 50 LYS NZ :NH3+ 164:sc= 1.27 (180deg=0.993) USER MOD Single : A 54 THR OG1 : rot 85:sc= 1.18 USER MOD Single : A 55 HIS : no HD1:sc= -0.0144 X(o=-0.014,f=-0.0034) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 164:sc= -0.0524 (180deg=-0.379) USER MOD Single : A 69 GLN : amide:sc= -0.192 K(o=-0.19,f=-8.5!) USER MOD Single : A 76 TYR OH : rot 180:sc= -0.055 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.0493 USER MOD Single : A 92 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0553) USER MOD Single : A 93 SER OG : rot -120:sc= -0.0441 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 MET CE :methyl 152:sc= -0.233 (180deg=-0.926) USER MOD Single : A 100 LYS NZ :NH3+ -158:sc= 1.25 (180deg=0.869) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -23.612 1.362 -2.202 1.00 0.00 N ATOM 2 CA GLY A 1 -22.792 2.307 -1.450 1.00 0.00 C ATOM 3 C GLY A 1 -21.700 1.580 -0.719 1.00 0.00 C ATOM 4 O GLY A 1 -21.204 0.557 -1.210 1.00 0.00 O ATOM 0 H1 GLY A 1 -23.980 1.826 -3.057 1.00 0.00 H new ATOM 0 H2 GLY A 1 -23.034 0.541 -2.475 1.00 0.00 H new ATOM 0 H3 GLY A 1 -24.406 1.045 -1.611 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -22.359 3.043 -2.127 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -23.413 2.854 -0.740 1.00 0.00 H new ATOM 10 N ALA A 2 -21.320 2.069 0.441 1.00 0.00 N ATOM 11 CA ALA A 2 -20.273 1.443 1.215 1.00 0.00 C ATOM 12 C ALA A 2 -20.825 0.279 1.989 1.00 0.00 C ATOM 13 O ALA A 2 -21.498 0.459 3.009 1.00 0.00 O ATOM 14 CB ALA A 2 -19.584 2.435 2.135 1.00 0.00 C ATOM 0 H ALA A 2 -21.723 2.902 0.870 1.00 0.00 H new ATOM 0 HA ALA A 2 -19.517 1.073 0.522 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -18.803 1.926 2.700 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -19.140 3.234 1.541 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -20.314 2.858 2.825 1.00 0.00 H new ATOM 20 N HIS A 3 -20.594 -0.888 1.448 1.00 0.00 N ATOM 21 CA HIS A 3 -20.985 -2.158 1.998 1.00 0.00 C ATOM 22 C HIS A 3 -20.443 -3.198 1.061 1.00 0.00 C ATOM 23 O HIS A 3 -20.267 -2.909 -0.131 1.00 0.00 O ATOM 24 CB HIS A 3 -22.524 -2.294 2.112 1.00 0.00 C ATOM 25 CG HIS A 3 -22.979 -3.600 2.714 1.00 0.00 C ATOM 26 ND1 HIS A 3 -23.716 -4.531 2.026 1.00 0.00 N ATOM 27 CD2 HIS A 3 -22.765 -4.134 3.942 1.00 0.00 C ATOM 28 CE1 HIS A 3 -23.930 -5.575 2.789 1.00 0.00 C ATOM 29 NE2 HIS A 3 -23.362 -5.360 3.957 1.00 0.00 N ATOM 0 H HIS A 3 -20.100 -0.982 0.561 1.00 0.00 H new ATOM 0 HA HIS A 3 -20.594 -2.269 3.009 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -22.908 -1.473 2.718 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -22.963 -2.190 1.120 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -22.223 -3.675 4.756 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -24.479 -6.461 2.507 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -23.368 -6.006 4.746 1.00 0.00 H new ATOM 38 N MET A 4 -20.112 -4.351 1.586 1.00 0.00 N ATOM 39 CA MET A 4 -19.630 -5.452 0.792 1.00 0.00 C ATOM 40 C MET A 4 -20.717 -5.933 -0.161 1.00 0.00 C ATOM 41 O MET A 4 -21.625 -6.672 0.234 1.00 0.00 O ATOM 42 CB MET A 4 -19.153 -6.630 1.674 1.00 0.00 C ATOM 43 CG MET A 4 -18.088 -6.286 2.713 1.00 0.00 C ATOM 44 SD MET A 4 -18.733 -5.299 4.090 1.00 0.00 S ATOM 45 CE MET A 4 -17.223 -5.010 5.020 1.00 0.00 C ATOM 0 H MET A 4 -20.170 -4.553 2.584 1.00 0.00 H new ATOM 0 HA MET A 4 -18.776 -5.091 0.219 1.00 0.00 H new ATOM 0 HB2 MET A 4 -20.017 -7.047 2.190 1.00 0.00 H new ATOM 0 HB3 MET A 4 -18.762 -7.412 1.024 1.00 0.00 H new ATOM 0 HG2 MET A 4 -17.659 -7.208 3.104 1.00 0.00 H new ATOM 0 HG3 MET A 4 -17.279 -5.739 2.229 1.00 0.00 H new ATOM 0 HE1 MET A 4 -17.461 -4.490 5.948 1.00 0.00 H new ATOM 0 HE2 MET A 4 -16.749 -5.964 5.250 1.00 0.00 H new ATOM 0 HE3 MET A 4 -16.542 -4.400 4.427 1.00 0.00 H new ATOM 55 N GLY A 5 -20.685 -5.417 -1.372 1.00 0.00 N ATOM 56 CA GLY A 5 -21.595 -5.864 -2.401 1.00 0.00 C ATOM 57 C GLY A 5 -20.972 -6.976 -3.185 1.00 0.00 C ATOM 58 O GLY A 5 -21.652 -7.813 -3.760 1.00 0.00 O ATOM 0 H GLY A 5 -20.037 -4.687 -1.666 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -22.528 -6.203 -1.951 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -21.844 -5.035 -3.064 1.00 0.00 H new ATOM 62 N GLY A 6 -19.668 -6.970 -3.197 1.00 0.00 N ATOM 63 CA GLY A 6 -18.903 -7.974 -3.856 1.00 0.00 C ATOM 64 C GLY A 6 -17.527 -7.475 -4.064 1.00 0.00 C ATOM 65 O GLY A 6 -16.567 -8.068 -3.572 1.00 0.00 O ATOM 0 H GLY A 6 -19.105 -6.253 -2.740 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -18.886 -8.886 -3.259 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -19.360 -8.227 -4.813 1.00 0.00 H new ATOM 69 N SER A 7 -17.400 -6.385 -4.773 1.00 0.00 N ATOM 70 CA SER A 7 -16.138 -5.760 -4.903 1.00 0.00 C ATOM 71 C SER A 7 -15.958 -4.773 -3.754 1.00 0.00 C ATOM 72 O SER A 7 -16.912 -4.108 -3.319 1.00 0.00 O ATOM 73 CB SER A 7 -15.989 -5.152 -6.299 1.00 0.00 C ATOM 74 OG SER A 7 -17.117 -4.358 -6.627 1.00 0.00 O ATOM 0 H SER A 7 -18.164 -5.921 -5.265 1.00 0.00 H new ATOM 0 HA SER A 7 -15.326 -6.483 -4.822 1.00 0.00 H new ATOM 0 HB2 SER A 7 -15.086 -4.543 -6.341 1.00 0.00 H new ATOM 0 HB3 SER A 7 -15.872 -5.947 -7.036 1.00 0.00 H new ATOM 0 HG SER A 7 -17.000 -3.978 -7.523 1.00 0.00 H new ATOM 80 N MET A 8 -14.781 -4.734 -3.235 1.00 0.00 N ATOM 81 CA MET A 8 -14.491 -3.991 -2.044 1.00 0.00 C ATOM 82 C MET A 8 -13.431 -2.988 -2.263 1.00 0.00 C ATOM 83 O MET A 8 -12.475 -3.252 -2.965 1.00 0.00 O ATOM 84 CB MET A 8 -14.024 -4.935 -0.999 1.00 0.00 C ATOM 85 CG MET A 8 -14.966 -6.070 -0.797 1.00 0.00 C ATOM 86 SD MET A 8 -14.624 -7.018 0.631 1.00 0.00 S ATOM 87 CE MET A 8 -15.819 -8.280 0.397 1.00 0.00 C ATOM 0 H MET A 8 -13.976 -5.222 -3.627 1.00 0.00 H new ATOM 0 HA MET A 8 -15.400 -3.471 -1.743 1.00 0.00 H new ATOM 0 HB2 MET A 8 -13.045 -5.324 -1.277 1.00 0.00 H new ATOM 0 HB3 MET A 8 -13.899 -4.399 -0.058 1.00 0.00 H new ATOM 0 HG2 MET A 8 -15.982 -5.680 -0.730 1.00 0.00 H new ATOM 0 HG3 MET A 8 -14.931 -6.720 -1.671 1.00 0.00 H new ATOM 0 HE1 MET A 8 -16.578 -8.211 1.176 1.00 0.00 H new ATOM 0 HE2 MET A 8 -16.289 -8.160 -0.579 1.00 0.00 H new ATOM 0 HE3 MET A 8 -15.334 -9.255 0.448 1.00 0.00 H new ATOM 97 N LYS A 9 -13.597 -1.841 -1.679 1.00 0.00 N ATOM 98 CA LYS A 9 -12.604 -0.822 -1.751 1.00 0.00 C ATOM 99 C LYS A 9 -11.817 -0.854 -0.447 1.00 0.00 C ATOM 100 O LYS A 9 -12.207 -0.247 0.559 1.00 0.00 O ATOM 101 CB LYS A 9 -13.232 0.540 -2.019 1.00 0.00 C ATOM 102 CG LYS A 9 -12.254 1.608 -2.376 1.00 0.00 C ATOM 103 CD LYS A 9 -12.978 2.864 -2.770 1.00 0.00 C ATOM 104 CE LYS A 9 -12.069 3.781 -3.537 1.00 0.00 C ATOM 105 NZ LYS A 9 -12.769 4.980 -4.040 1.00 0.00 N ATOM 0 H LYS A 9 -14.425 -1.588 -1.140 1.00 0.00 H new ATOM 0 HA LYS A 9 -11.927 -1.002 -2.586 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -13.955 0.441 -2.829 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -13.786 0.852 -1.134 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -11.598 1.808 -1.529 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -11.621 1.272 -3.197 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -13.847 2.613 -3.378 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -13.348 3.372 -1.879 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -11.243 4.089 -2.896 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -11.635 3.238 -4.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -12.099 5.580 -4.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -13.541 4.691 -4.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -13.161 5.515 -3.239 1.00 0.00 H new ATOM 119 N ILE A 10 -10.745 -1.589 -0.490 1.00 0.00 N ATOM 120 CA ILE A 10 -9.946 -1.913 0.642 1.00 0.00 C ATOM 121 C ILE A 10 -8.697 -1.067 0.679 1.00 0.00 C ATOM 122 O ILE A 10 -8.114 -0.770 -0.370 1.00 0.00 O ATOM 123 CB ILE A 10 -9.577 -3.404 0.530 1.00 0.00 C ATOM 124 CG1 ILE A 10 -10.843 -4.230 0.651 1.00 0.00 C ATOM 125 CG2 ILE A 10 -8.521 -3.822 1.546 1.00 0.00 C ATOM 126 CD1 ILE A 10 -10.683 -5.660 0.267 1.00 0.00 C ATOM 0 H ILE A 10 -10.393 -1.994 -1.357 1.00 0.00 H new ATOM 0 HA ILE A 10 -10.497 -1.717 1.562 1.00 0.00 H new ATOM 0 HB ILE A 10 -9.123 -3.581 -0.445 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -11.198 -4.180 1.680 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -11.616 -3.783 0.026 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -8.298 -4.882 1.424 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -7.613 -3.239 1.388 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -8.896 -3.644 2.554 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -11.636 -6.177 0.383 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -10.360 -5.724 -0.772 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -9.936 -6.128 0.908 1.00 0.00 H new ATOM 138 N ARG A 11 -8.298 -0.662 1.865 1.00 0.00 N ATOM 139 CA ARG A 11 -7.060 0.023 2.043 1.00 0.00 C ATOM 140 C ARG A 11 -5.938 -0.912 1.875 1.00 0.00 C ATOM 141 O ARG A 11 -5.939 -2.012 2.413 1.00 0.00 O ATOM 142 CB ARG A 11 -6.953 0.619 3.434 1.00 0.00 C ATOM 143 CG ARG A 11 -7.678 1.926 3.593 1.00 0.00 C ATOM 144 CD ARG A 11 -7.472 2.473 4.986 1.00 0.00 C ATOM 145 NE ARG A 11 -7.855 1.485 6.003 1.00 0.00 N ATOM 146 CZ ARG A 11 -8.968 1.505 6.735 1.00 0.00 C ATOM 147 NH1 ARG A 11 -9.796 2.540 6.675 1.00 0.00 N ATOM 148 NH2 ARG A 11 -9.231 0.487 7.543 1.00 0.00 N ATOM 0 H ARG A 11 -8.829 -0.803 2.724 1.00 0.00 H new ATOM 0 HA ARG A 11 -7.022 0.818 1.298 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -7.349 -0.095 4.156 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -5.900 0.767 3.676 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -7.316 2.643 2.856 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -8.742 1.785 3.404 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -6.427 2.751 5.120 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -8.062 3.380 5.115 1.00 0.00 H new ATOM 0 HE ARG A 11 -7.209 0.712 6.164 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -9.583 3.329 6.065 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -10.646 2.547 7.239 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -8.584 -0.300 7.599 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -10.080 0.491 8.108 1.00 0.00 H new ATOM 162 N VAL A 12 -5.022 -0.531 1.116 1.00 0.00 N ATOM 163 CA VAL A 12 -3.886 -1.300 0.923 1.00 0.00 C ATOM 164 C VAL A 12 -2.709 -0.526 1.418 1.00 0.00 C ATOM 165 O VAL A 12 -2.575 0.642 1.019 1.00 0.00 O ATOM 166 CB VAL A 12 -3.684 -1.521 -0.614 1.00 0.00 C ATOM 167 CG1 VAL A 12 -2.485 -2.408 -0.863 1.00 0.00 C ATOM 168 CG2 VAL A 12 -4.921 -2.155 -1.216 1.00 0.00 C ATOM 0 H VAL A 12 -5.036 0.346 0.595 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.985 -2.252 1.444 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.513 -0.553 -1.084 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.356 -2.553 -1.936 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.592 -1.937 -0.451 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.641 -3.374 -0.382 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -4.770 -2.304 -2.285 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -5.106 -3.117 -0.738 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -5.778 -1.501 -1.059 1.00 0.00 H new ATOM 178 N GLU A 13 -1.897 -1.076 2.310 1.00 0.00 N ATOM 179 CA GLU A 13 -0.642 -0.431 2.517 1.00 0.00 C ATOM 180 C GLU A 13 0.275 -0.960 1.461 1.00 0.00 C ATOM 181 O GLU A 13 0.106 -2.086 1.015 1.00 0.00 O ATOM 182 CB GLU A 13 0.157 -0.604 3.837 1.00 0.00 C ATOM 183 CG GLU A 13 -0.413 0.145 5.044 1.00 0.00 C ATOM 184 CD GLU A 13 0.491 0.059 6.270 1.00 0.00 C ATOM 185 OE1 GLU A 13 0.402 -0.922 7.025 1.00 0.00 O ATOM 186 OE2 GLU A 13 1.324 0.979 6.494 1.00 0.00 O ATOM 0 H GLU A 13 -2.080 -1.914 2.862 1.00 0.00 H new ATOM 0 HA GLU A 13 -0.926 0.621 2.518 1.00 0.00 H new ATOM 0 HB2 GLU A 13 0.205 -1.666 4.078 1.00 0.00 H new ATOM 0 HB3 GLU A 13 1.180 -0.268 3.671 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -0.562 1.192 4.780 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -1.393 -0.264 5.291 1.00 0.00 H new ATOM 193 N LEU A 14 1.201 -0.188 1.064 1.00 0.00 N ATOM 194 CA LEU A 14 2.184 -0.608 0.125 1.00 0.00 C ATOM 195 C LEU A 14 3.546 -0.380 0.689 1.00 0.00 C ATOM 196 O LEU A 14 3.867 0.729 1.116 1.00 0.00 O ATOM 197 CB LEU A 14 1.956 0.148 -1.210 1.00 0.00 C ATOM 198 CG LEU A 14 3.034 0.150 -2.340 1.00 0.00 C ATOM 199 CD1 LEU A 14 4.097 1.200 -2.110 1.00 0.00 C ATOM 200 CD2 LEU A 14 3.668 -1.211 -2.533 1.00 0.00 C ATOM 0 H LEU A 14 1.310 0.775 1.381 1.00 0.00 H new ATOM 0 HA LEU A 14 2.098 -1.676 -0.077 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.040 -0.249 -1.647 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.762 1.190 -0.955 1.00 0.00 H new ATOM 0 HG LEU A 14 2.504 0.403 -3.258 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.825 1.164 -2.920 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.634 2.186 -2.081 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.600 1.007 -1.162 1.00 0.00 H new ATOM 0 HD21 LEU A 14 4.410 -1.157 -3.329 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.151 -1.522 -1.607 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.899 -1.936 -2.802 1.00 0.00 H new ATOM 212 N ILE A 15 4.350 -1.408 0.735 1.00 0.00 N ATOM 213 CA ILE A 15 5.721 -1.188 1.091 1.00 0.00 C ATOM 214 C ILE A 15 6.547 -1.145 -0.180 1.00 0.00 C ATOM 215 O ILE A 15 6.655 -2.133 -0.927 1.00 0.00 O ATOM 216 CB ILE A 15 6.450 -2.205 2.079 1.00 0.00 C ATOM 217 CG1 ILE A 15 5.923 -2.057 3.533 1.00 0.00 C ATOM 218 CG2 ILE A 15 7.971 -1.987 2.094 1.00 0.00 C ATOM 219 CD1 ILE A 15 4.449 -2.328 3.732 1.00 0.00 C ATOM 0 H ILE A 15 4.090 -2.374 0.537 1.00 0.00 H new ATOM 0 HA ILE A 15 5.666 -0.259 1.659 1.00 0.00 H new ATOM 0 HB ILE A 15 6.229 -3.205 1.706 1.00 0.00 H new ATOM 0 HG12 ILE A 15 6.487 -2.735 4.174 1.00 0.00 H new ATOM 0 HG13 ILE A 15 6.136 -1.044 3.875 1.00 0.00 H new ATOM 0 HG21 ILE A 15 8.434 -2.698 2.778 1.00 0.00 H new ATOM 0 HG22 ILE A 15 8.370 -2.137 1.091 1.00 0.00 H new ATOM 0 HG23 ILE A 15 8.190 -0.971 2.423 1.00 0.00 H new ATOM 0 HD11 ILE A 15 4.193 -2.195 4.783 1.00 0.00 H new ATOM 0 HD12 ILE A 15 3.866 -1.634 3.126 1.00 0.00 H new ATOM 0 HD13 ILE A 15 4.223 -3.351 3.430 1.00 0.00 H new ATOM 231 N ASN A 16 7.080 -0.009 -0.428 1.00 0.00 N ATOM 232 CA ASN A 16 8.033 0.202 -1.459 1.00 0.00 C ATOM 233 C ASN A 16 8.942 1.243 -0.912 1.00 0.00 C ATOM 234 O ASN A 16 8.831 2.430 -1.213 1.00 0.00 O ATOM 235 CB ASN A 16 7.410 0.656 -2.794 1.00 0.00 C ATOM 236 CG ASN A 16 8.434 0.760 -3.931 1.00 0.00 C ATOM 237 OD1 ASN A 16 9.086 1.794 -4.120 1.00 0.00 O ATOM 238 ND2 ASN A 16 8.542 -0.275 -4.727 1.00 0.00 N ATOM 0 H ASN A 16 6.858 0.835 0.100 1.00 0.00 H new ATOM 0 HA ASN A 16 8.543 -0.728 -1.710 1.00 0.00 H new ATOM 0 HB2 ASN A 16 6.628 -0.047 -3.081 1.00 0.00 H new ATOM 0 HB3 ASN A 16 6.932 1.625 -2.654 1.00 0.00 H new ATOM 0 HD21 ASN A 16 9.176 -0.240 -5.526 1.00 0.00 H new ATOM 0 HD22 ASN A 16 7.993 -1.116 -4.548 1.00 0.00 H new ATOM 245 N GLY A 17 9.697 0.820 0.048 1.00 0.00 N ATOM 246 CA GLY A 17 10.633 1.671 0.699 1.00 0.00 C ATOM 247 C GLY A 17 11.993 1.363 0.202 1.00 0.00 C ATOM 248 O GLY A 17 12.826 0.814 0.928 1.00 0.00 O ATOM 0 H GLY A 17 9.680 -0.135 0.405 1.00 0.00 H new ATOM 0 HA2 GLY A 17 10.389 2.716 0.506 1.00 0.00 H new ATOM 0 HA3 GLY A 17 10.585 1.527 1.778 1.00 0.00 H new ATOM 252 N ASN A 18 12.194 1.649 -1.055 1.00 0.00 N ATOM 253 CA ASN A 18 13.437 1.397 -1.718 1.00 0.00 C ATOM 254 C ASN A 18 14.262 2.640 -1.663 1.00 0.00 C ATOM 255 O ASN A 18 15.493 2.602 -1.624 1.00 0.00 O ATOM 256 CB ASN A 18 13.188 0.990 -3.154 1.00 0.00 C ATOM 257 CG ASN A 18 12.495 -0.366 -3.319 1.00 0.00 C ATOM 258 OD1 ASN A 18 11.719 -0.813 -2.464 1.00 0.00 O ATOM 259 ND2 ASN A 18 12.751 -1.018 -4.413 1.00 0.00 N ATOM 0 H ASN A 18 11.485 2.071 -1.655 1.00 0.00 H new ATOM 0 HA ASN A 18 13.966 0.582 -1.224 1.00 0.00 H new ATOM 0 HB2 ASN A 18 12.579 1.756 -3.635 1.00 0.00 H new ATOM 0 HB3 ASN A 18 14.142 0.963 -3.681 1.00 0.00 H new ATOM 0 HD21 ASN A 18 12.309 -1.921 -4.584 1.00 0.00 H new ATOM 0 HD22 ASN A 18 13.394 -0.627 -5.101 1.00 0.00 H new ATOM 266 N GLU A 19 13.573 3.748 -1.658 1.00 0.00 N ATOM 267 CA GLU A 19 14.140 5.013 -1.503 1.00 0.00 C ATOM 268 C GLU A 19 13.788 5.478 -0.098 1.00 0.00 C ATOM 269 O GLU A 19 13.537 4.639 0.786 1.00 0.00 O ATOM 270 CB GLU A 19 13.559 5.958 -2.547 1.00 0.00 C ATOM 271 CG GLU A 19 13.781 5.516 -3.982 1.00 0.00 C ATOM 272 CD GLU A 19 13.380 6.568 -4.981 1.00 0.00 C ATOM 273 OE1 GLU A 19 12.173 6.716 -5.273 1.00 0.00 O ATOM 274 OE2 GLU A 19 14.271 7.270 -5.495 1.00 0.00 O ATOM 0 H GLU A 19 12.559 3.769 -1.768 1.00 0.00 H new ATOM 0 HA GLU A 19 15.221 4.993 -1.638 1.00 0.00 H new ATOM 0 HB2 GLU A 19 12.488 6.060 -2.372 1.00 0.00 H new ATOM 0 HB3 GLU A 19 13.999 6.946 -2.411 1.00 0.00 H new ATOM 0 HG2 GLU A 19 14.833 5.269 -4.123 1.00 0.00 H new ATOM 0 HG3 GLU A 19 13.211 4.606 -4.170 1.00 0.00 H new ATOM 281 N HIS A 20 13.773 6.784 0.094 1.00 0.00 N ATOM 282 CA HIS A 20 13.436 7.453 1.355 1.00 0.00 C ATOM 283 C HIS A 20 14.622 7.434 2.294 1.00 0.00 C ATOM 284 O HIS A 20 15.603 6.729 2.051 1.00 0.00 O ATOM 285 CB HIS A 20 12.202 6.893 2.061 1.00 0.00 C ATOM 286 CG HIS A 20 10.918 6.815 1.261 1.00 0.00 C ATOM 287 ND1 HIS A 20 9.877 5.981 1.605 1.00 0.00 N ATOM 288 CD2 HIS A 20 10.503 7.484 0.164 1.00 0.00 C ATOM 289 CE1 HIS A 20 8.887 6.135 0.760 1.00 0.00 C ATOM 290 NE2 HIS A 20 9.234 7.042 -0.128 1.00 0.00 N ATOM 0 H HIS A 20 14.004 7.443 -0.650 1.00 0.00 H new ATOM 0 HA HIS A 20 13.183 8.477 1.081 1.00 0.00 H new ATOM 0 HB2 HIS A 20 12.441 5.890 2.413 1.00 0.00 H new ATOM 0 HB3 HIS A 20 12.013 7.504 2.944 1.00 0.00 H new ATOM 0 HD2 HIS A 20 11.064 8.228 -0.383 1.00 0.00 H new ATOM 0 HE1 HIS A 20 7.945 5.607 0.788 1.00 0.00 H new ATOM 0 HE2 HIS A 20 8.657 7.364 -0.905 1.00 0.00 H new ATOM 299 N ARG A 21 14.554 8.211 3.344 1.00 0.00 N ATOM 300 CA ARG A 21 15.635 8.304 4.299 1.00 0.00 C ATOM 301 C ARG A 21 15.056 8.316 5.686 1.00 0.00 C ATOM 302 O ARG A 21 13.822 8.319 5.854 1.00 0.00 O ATOM 303 CB ARG A 21 16.444 9.591 4.096 1.00 0.00 C ATOM 304 CG ARG A 21 17.095 9.740 2.746 1.00 0.00 C ATOM 305 CD ARG A 21 17.793 11.080 2.624 1.00 0.00 C ATOM 306 NE ARG A 21 16.871 12.208 2.830 1.00 0.00 N ATOM 307 CZ ARG A 21 16.163 12.809 1.858 1.00 0.00 C ATOM 308 NH1 ARG A 21 16.229 12.357 0.602 1.00 0.00 N ATOM 309 NH2 ARG A 21 15.394 13.857 2.142 1.00 0.00 N ATOM 0 H ARG A 21 13.749 8.798 3.564 1.00 0.00 H new ATOM 0 HA ARG A 21 16.296 7.449 4.157 1.00 0.00 H new ATOM 0 HB2 ARG A 21 15.785 10.444 4.258 1.00 0.00 H new ATOM 0 HB3 ARG A 21 17.219 9.637 4.861 1.00 0.00 H new ATOM 0 HG2 ARG A 21 17.815 8.936 2.595 1.00 0.00 H new ATOM 0 HG3 ARG A 21 16.343 9.645 1.963 1.00 0.00 H new ATOM 0 HD2 ARG A 21 18.600 11.135 3.354 1.00 0.00 H new ATOM 0 HD3 ARG A 21 18.249 11.162 1.637 1.00 0.00 H new ATOM 0 HE ARG A 21 16.761 12.560 3.781 1.00 0.00 H new ATOM 0 HH11 ARG A 21 16.818 11.554 0.379 1.00 0.00 H new ATOM 0 HH12 ARG A 21 15.691 12.815 -0.134 1.00 0.00 H new ATOM 0 HH21 ARG A 21 15.341 14.206 3.099 1.00 0.00 H new ATOM 0 HH22 ARG A 21 14.858 14.311 1.403 1.00 0.00 H new ATOM 323 N THR A 22 15.913 8.336 6.652 1.00 0.00 N ATOM 324 CA THR A 22 15.537 8.405 8.016 1.00 0.00 C ATOM 325 C THR A 22 15.424 9.874 8.447 1.00 0.00 C ATOM 326 O THR A 22 16.432 10.529 8.742 1.00 0.00 O ATOM 327 CB THR A 22 16.568 7.631 8.860 1.00 0.00 C ATOM 328 OG1 THR A 22 17.898 7.903 8.352 1.00 0.00 O ATOM 329 CG2 THR A 22 16.303 6.131 8.796 1.00 0.00 C ATOM 0 H THR A 22 16.922 8.304 6.505 1.00 0.00 H new ATOM 0 HA THR A 22 14.561 7.945 8.168 1.00 0.00 H new ATOM 0 HB THR A 22 16.486 7.955 9.897 1.00 0.00 H new ATOM 0 HG1 THR A 22 18.012 8.869 8.235 1.00 0.00 H new ATOM 0 HG21 THR A 22 17.043 5.605 9.399 1.00 0.00 H new ATOM 0 HG22 THR A 22 15.305 5.921 9.181 1.00 0.00 H new ATOM 0 HG23 THR A 22 16.371 5.793 7.762 1.00 0.00 H new ATOM 337 N SER A 23 14.191 10.398 8.400 1.00 0.00 N ATOM 338 CA SER A 23 13.876 11.795 8.719 1.00 0.00 C ATOM 339 C SER A 23 14.437 12.765 7.663 1.00 0.00 C ATOM 340 O SER A 23 15.150 12.335 6.727 1.00 0.00 O ATOM 341 CB SER A 23 14.305 12.156 10.147 1.00 0.00 C ATOM 342 OG SER A 23 13.643 11.301 11.081 1.00 0.00 O ATOM 0 H SER A 23 13.371 9.852 8.134 1.00 0.00 H new ATOM 0 HA SER A 23 12.792 11.905 8.684 1.00 0.00 H new ATOM 0 HB2 SER A 23 15.385 12.054 10.249 1.00 0.00 H new ATOM 0 HB3 SER A 23 14.062 13.197 10.357 1.00 0.00 H new ATOM 0 HG SER A 23 13.921 11.534 11.991 1.00 0.00 H new ATOM 348 N SER A 24 14.051 14.059 7.769 1.00 0.00 N ATOM 349 CA SER A 24 14.449 15.118 6.817 1.00 0.00 C ATOM 350 C SER A 24 13.841 14.831 5.430 1.00 0.00 C ATOM 351 O SER A 24 14.247 15.381 4.397 1.00 0.00 O ATOM 352 CB SER A 24 15.971 15.217 6.740 1.00 0.00 C ATOM 353 OG SER A 24 16.546 15.395 8.044 1.00 0.00 O ATOM 0 H SER A 24 13.452 14.397 8.522 1.00 0.00 H new ATOM 0 HA SER A 24 14.068 16.077 7.168 1.00 0.00 H new ATOM 0 HB2 SER A 24 16.374 14.314 6.282 1.00 0.00 H new ATOM 0 HB3 SER A 24 16.252 16.052 6.099 1.00 0.00 H new ATOM 0 HG SER A 24 17.521 15.454 7.966 1.00 0.00 H new ATOM 359 N THR A 25 12.863 13.988 5.443 1.00 0.00 N ATOM 360 CA THR A 25 12.142 13.566 4.286 1.00 0.00 C ATOM 361 C THR A 25 10.901 14.446 4.095 1.00 0.00 C ATOM 362 O THR A 25 10.613 15.269 4.961 1.00 0.00 O ATOM 363 CB THR A 25 11.762 12.081 4.469 1.00 0.00 C ATOM 364 OG1 THR A 25 11.429 11.817 5.855 1.00 0.00 O ATOM 365 CG2 THR A 25 12.901 11.177 4.037 1.00 0.00 C ATOM 0 H THR A 25 12.528 13.553 6.302 1.00 0.00 H new ATOM 0 HA THR A 25 12.755 13.669 3.390 1.00 0.00 H new ATOM 0 HB THR A 25 10.894 11.873 3.844 1.00 0.00 H new ATOM 0 HG1 THR A 25 11.188 10.873 5.959 1.00 0.00 H new ATOM 0 HG21 THR A 25 12.611 10.135 4.175 1.00 0.00 H new ATOM 0 HG22 THR A 25 13.128 11.355 2.986 1.00 0.00 H new ATOM 0 HG23 THR A 25 13.784 11.391 4.640 1.00 0.00 H new ATOM 373 N PRO A 26 10.175 14.340 2.956 1.00 0.00 N ATOM 374 CA PRO A 26 8.961 15.114 2.739 1.00 0.00 C ATOM 375 C PRO A 26 7.828 14.744 3.714 1.00 0.00 C ATOM 376 O PRO A 26 8.006 14.007 4.687 1.00 0.00 O ATOM 377 CB PRO A 26 8.560 14.768 1.294 1.00 0.00 C ATOM 378 CG PRO A 26 9.230 13.482 1.014 1.00 0.00 C ATOM 379 CD PRO A 26 10.511 13.532 1.766 1.00 0.00 C ATOM 0 HA PRO A 26 9.134 16.177 2.906 1.00 0.00 H new ATOM 0 HB2 PRO A 26 7.478 14.680 1.194 1.00 0.00 H new ATOM 0 HB3 PRO A 26 8.883 15.542 0.598 1.00 0.00 H new ATOM 0 HG2 PRO A 26 8.617 12.641 1.338 1.00 0.00 H new ATOM 0 HG3 PRO A 26 9.406 13.355 -0.054 1.00 0.00 H new ATOM 0 HD2 PRO A 26 10.855 12.535 2.041 1.00 0.00 H new ATOM 0 HD3 PRO A 26 11.305 13.993 1.178 1.00 0.00 H new ATOM 387 N GLN A 27 6.658 15.173 3.375 1.00 0.00 N ATOM 388 CA GLN A 27 5.489 15.078 4.180 1.00 0.00 C ATOM 389 C GLN A 27 4.767 13.782 3.876 1.00 0.00 C ATOM 390 O GLN A 27 3.542 13.740 3.703 1.00 0.00 O ATOM 391 CB GLN A 27 4.593 16.280 3.931 1.00 0.00 C ATOM 392 CG GLN A 27 5.195 17.662 4.284 1.00 0.00 C ATOM 393 CD GLN A 27 6.352 18.094 3.370 1.00 0.00 C ATOM 394 OE1 GLN A 27 6.399 17.743 2.175 1.00 0.00 O ATOM 395 NE2 GLN A 27 7.291 18.813 3.917 1.00 0.00 N ATOM 0 H GLN A 27 6.484 15.625 2.477 1.00 0.00 H new ATOM 0 HA GLN A 27 5.766 15.076 5.234 1.00 0.00 H new ATOM 0 HB2 GLN A 27 4.313 16.287 2.878 1.00 0.00 H new ATOM 0 HB3 GLN A 27 3.675 16.149 4.504 1.00 0.00 H new ATOM 0 HG2 GLN A 27 4.407 18.413 4.234 1.00 0.00 H new ATOM 0 HG3 GLN A 27 5.549 17.640 5.315 1.00 0.00 H new ATOM 0 HE21 GLN A 27 7.221 19.083 4.898 1.00 0.00 H new ATOM 0 HE22 GLN A 27 8.096 19.106 3.364 1.00 0.00 H new ATOM 404 N GLN A 28 5.569 12.745 3.794 1.00 0.00 N ATOM 405 CA GLN A 28 5.158 11.358 3.538 1.00 0.00 C ATOM 406 C GLN A 28 4.050 10.926 4.508 1.00 0.00 C ATOM 407 O GLN A 28 3.959 11.454 5.636 1.00 0.00 O ATOM 408 CB GLN A 28 6.343 10.411 3.774 1.00 0.00 C ATOM 409 CG GLN A 28 7.633 10.784 3.083 1.00 0.00 C ATOM 410 CD GLN A 28 8.708 9.750 3.327 1.00 0.00 C ATOM 411 OE1 GLN A 28 8.871 8.823 2.557 1.00 0.00 O ATOM 412 NE2 GLN A 28 9.404 9.866 4.424 1.00 0.00 N ATOM 0 H GLN A 28 6.578 12.837 3.908 1.00 0.00 H new ATOM 0 HA GLN A 28 4.804 11.309 2.508 1.00 0.00 H new ATOM 0 HB2 GLN A 28 6.531 10.355 4.846 1.00 0.00 H new ATOM 0 HB3 GLN A 28 6.055 9.411 3.448 1.00 0.00 H new ATOM 0 HG2 GLN A 28 7.458 10.883 2.012 1.00 0.00 H new ATOM 0 HG3 GLN A 28 7.972 11.756 3.442 1.00 0.00 H new ATOM 0 HE21 GLN A 28 9.243 10.656 5.049 1.00 0.00 H new ATOM 0 HE22 GLN A 28 10.109 9.167 4.657 1.00 0.00 H new ATOM 421 N PRO A 29 3.196 9.962 4.098 1.00 0.00 N ATOM 422 CA PRO A 29 2.161 9.403 4.968 1.00 0.00 C ATOM 423 C PRO A 29 2.757 8.851 6.275 1.00 0.00 C ATOM 424 O PRO A 29 3.948 8.474 6.330 1.00 0.00 O ATOM 425 CB PRO A 29 1.543 8.261 4.131 1.00 0.00 C ATOM 426 CG PRO A 29 2.481 8.051 2.990 1.00 0.00 C ATOM 427 CD PRO A 29 3.145 9.370 2.750 1.00 0.00 C ATOM 0 HA PRO A 29 1.432 10.155 5.269 1.00 0.00 H new ATOM 0 HB2 PRO A 29 1.437 7.353 4.724 1.00 0.00 H new ATOM 0 HB3 PRO A 29 0.547 8.528 3.777 1.00 0.00 H new ATOM 0 HG2 PRO A 29 3.216 7.282 3.227 1.00 0.00 H new ATOM 0 HG3 PRO A 29 1.945 7.717 2.101 1.00 0.00 H new ATOM 0 HD2 PRO A 29 4.141 9.249 2.324 1.00 0.00 H new ATOM 0 HD3 PRO A 29 2.575 9.990 2.058 1.00 0.00 H new ATOM 435 N GLN A 30 1.941 8.826 7.304 1.00 0.00 N ATOM 436 CA GLN A 30 2.327 8.370 8.619 1.00 0.00 C ATOM 437 C GLN A 30 2.547 6.875 8.577 1.00 0.00 C ATOM 438 O GLN A 30 3.512 6.345 9.141 1.00 0.00 O ATOM 439 CB GLN A 30 1.263 8.723 9.659 1.00 0.00 C ATOM 440 CG GLN A 30 1.011 10.230 9.921 1.00 0.00 C ATOM 441 CD GLN A 30 0.420 11.004 8.738 1.00 0.00 C ATOM 442 OE1 GLN A 30 -0.798 11.082 8.573 1.00 0.00 O ATOM 443 NE2 GLN A 30 1.269 11.598 7.922 1.00 0.00 N ATOM 0 H GLN A 30 0.969 9.129 7.248 1.00 0.00 H new ATOM 0 HA GLN A 30 3.251 8.870 8.911 1.00 0.00 H new ATOM 0 HB2 GLN A 30 0.321 8.271 9.348 1.00 0.00 H new ATOM 0 HB3 GLN A 30 1.544 8.257 10.603 1.00 0.00 H new ATOM 0 HG2 GLN A 30 0.337 10.327 10.772 1.00 0.00 H new ATOM 0 HG3 GLN A 30 1.954 10.696 10.206 1.00 0.00 H new ATOM 0 HE21 GLN A 30 2.273 11.516 8.083 1.00 0.00 H new ATOM 0 HE22 GLN A 30 0.922 12.139 7.130 1.00 0.00 H new ATOM 452 N GLN A 31 1.654 6.206 7.880 1.00 0.00 N ATOM 453 CA GLN A 31 1.755 4.799 7.626 1.00 0.00 C ATOM 454 C GLN A 31 2.479 4.616 6.312 1.00 0.00 C ATOM 455 O GLN A 31 3.089 5.569 5.802 1.00 0.00 O ATOM 456 CB GLN A 31 0.379 4.210 7.540 1.00 0.00 C ATOM 457 CG GLN A 31 -0.421 4.309 8.825 1.00 0.00 C ATOM 458 CD GLN A 31 -1.808 3.710 8.713 1.00 0.00 C ATOM 459 OE1 GLN A 31 -2.048 2.771 7.950 1.00 0.00 O ATOM 460 NE2 GLN A 31 -2.727 4.244 9.464 1.00 0.00 N ATOM 0 H GLN A 31 0.826 6.639 7.470 1.00 0.00 H new ATOM 0 HA GLN A 31 2.299 4.299 8.427 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -0.170 4.713 6.744 1.00 0.00 H new ATOM 0 HB3 GLN A 31 0.462 3.161 7.257 1.00 0.00 H new ATOM 0 HG2 GLN A 31 0.122 3.804 9.623 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -0.507 5.357 9.112 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -2.492 5.020 10.083 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -3.682 3.887 9.433 1.00 0.00 H new ATOM 469 N ASN A 32 2.458 3.444 5.758 1.00 0.00 N ATOM 470 CA ASN A 32 3.024 3.260 4.467 1.00 0.00 C ATOM 471 C ASN A 32 2.020 3.782 3.456 1.00 0.00 C ATOM 472 O ASN A 32 0.834 3.931 3.804 1.00 0.00 O ATOM 473 CB ASN A 32 3.340 1.780 4.190 1.00 0.00 C ATOM 474 CG ASN A 32 4.421 1.195 5.076 1.00 0.00 C ATOM 475 OD1 ASN A 32 5.617 1.300 4.787 1.00 0.00 O ATOM 476 ND2 ASN A 32 4.018 0.557 6.145 1.00 0.00 N ATOM 0 H ASN A 32 2.056 2.607 6.180 1.00 0.00 H new ATOM 0 HA ASN A 32 3.968 3.800 4.399 1.00 0.00 H new ATOM 0 HB2 ASN A 32 2.428 1.196 4.316 1.00 0.00 H new ATOM 0 HB3 ASN A 32 3.644 1.675 3.149 1.00 0.00 H new ATOM 0 HD21 ASN A 32 4.700 0.127 6.770 1.00 0.00 H new ATOM 0 HD22 ASN A 32 3.022 0.490 6.353 1.00 0.00 H new ATOM 483 N PRO A 33 2.473 4.160 2.236 1.00 0.00 N ATOM 484 CA PRO A 33 1.593 4.585 1.138 1.00 0.00 C ATOM 485 C PRO A 33 0.352 3.694 1.053 1.00 0.00 C ATOM 486 O PRO A 33 0.460 2.470 1.057 1.00 0.00 O ATOM 487 CB PRO A 33 2.487 4.402 -0.110 1.00 0.00 C ATOM 488 CG PRO A 33 3.802 3.886 0.388 1.00 0.00 C ATOM 489 CD PRO A 33 3.874 4.238 1.832 1.00 0.00 C ATOM 0 HA PRO A 33 1.217 5.601 1.257 1.00 0.00 H new ATOM 0 HB2 PRO A 33 2.035 3.702 -0.813 1.00 0.00 H new ATOM 0 HB3 PRO A 33 2.615 5.347 -0.639 1.00 0.00 H new ATOM 0 HG2 PRO A 33 3.874 2.807 0.247 1.00 0.00 H new ATOM 0 HG3 PRO A 33 4.629 4.335 -0.163 1.00 0.00 H new ATOM 0 HD2 PRO A 33 4.499 3.541 2.391 1.00 0.00 H new ATOM 0 HD3 PRO A 33 4.289 5.234 1.989 1.00 0.00 H new ATOM 497 N SER A 34 -0.798 4.299 0.964 1.00 0.00 N ATOM 498 CA SER A 34 -2.028 3.576 1.045 1.00 0.00 C ATOM 499 C SER A 34 -2.981 4.007 -0.049 1.00 0.00 C ATOM 500 O SER A 34 -2.905 5.144 -0.554 1.00 0.00 O ATOM 501 CB SER A 34 -2.661 3.792 2.436 1.00 0.00 C ATOM 502 OG SER A 34 -2.676 5.184 2.772 1.00 0.00 O ATOM 0 H SER A 34 -0.906 5.305 0.834 1.00 0.00 H new ATOM 0 HA SER A 34 -1.824 2.514 0.906 1.00 0.00 H new ATOM 0 HB2 SER A 34 -3.678 3.399 2.444 1.00 0.00 H new ATOM 0 HB3 SER A 34 -2.099 3.237 3.187 1.00 0.00 H new ATOM 0 HG SER A 34 -3.082 5.303 3.656 1.00 0.00 H new ATOM 508 N VAL A 35 -3.863 3.121 -0.413 1.00 0.00 N ATOM 509 CA VAL A 35 -4.893 3.385 -1.375 1.00 0.00 C ATOM 510 C VAL A 35 -6.070 2.552 -1.032 1.00 0.00 C ATOM 511 O VAL A 35 -5.922 1.503 -0.437 1.00 0.00 O ATOM 512 CB VAL A 35 -4.443 3.083 -2.853 1.00 0.00 C ATOM 513 CG1 VAL A 35 -4.019 1.645 -3.054 1.00 0.00 C ATOM 514 CG2 VAL A 35 -5.526 3.410 -3.864 1.00 0.00 C ATOM 0 H VAL A 35 -3.886 2.172 -0.040 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.131 4.448 -1.334 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.583 3.732 -3.020 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.719 1.496 -4.091 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -3.179 1.418 -2.397 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.853 0.984 -2.818 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -5.167 3.184 -4.868 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -6.413 2.813 -3.653 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -5.778 4.469 -3.798 1.00 0.00 H new ATOM 524 N SER A 36 -7.209 3.030 -1.333 1.00 0.00 N ATOM 525 CA SER A 36 -8.371 2.278 -1.192 1.00 0.00 C ATOM 526 C SER A 36 -8.697 1.752 -2.592 1.00 0.00 C ATOM 527 O SER A 36 -9.096 2.498 -3.480 1.00 0.00 O ATOM 528 CB SER A 36 -9.426 3.120 -0.609 1.00 0.00 C ATOM 529 OG SER A 36 -8.913 3.826 0.517 1.00 0.00 O ATOM 0 H SER A 36 -7.356 3.974 -1.691 1.00 0.00 H new ATOM 0 HA SER A 36 -8.266 1.433 -0.512 1.00 0.00 H new ATOM 0 HB2 SER A 36 -9.795 3.825 -1.354 1.00 0.00 H new ATOM 0 HB3 SER A 36 -10.272 2.502 -0.308 1.00 0.00 H new ATOM 0 HG SER A 36 -9.619 4.387 0.901 1.00 0.00 H new ATOM 535 N HIS A 37 -8.456 0.489 -2.779 1.00 0.00 N ATOM 536 CA HIS A 37 -8.509 -0.128 -4.055 1.00 0.00 C ATOM 537 C HIS A 37 -9.672 -1.103 -4.142 1.00 0.00 C ATOM 538 O HIS A 37 -9.991 -1.778 -3.184 1.00 0.00 O ATOM 539 CB HIS A 37 -7.162 -0.826 -4.288 1.00 0.00 C ATOM 540 CG HIS A 37 -7.079 -1.633 -5.528 1.00 0.00 C ATOM 541 ND1 HIS A 37 -6.616 -1.158 -6.718 1.00 0.00 N ATOM 542 CD2 HIS A 37 -7.418 -2.896 -5.737 1.00 0.00 C ATOM 543 CE1 HIS A 37 -6.680 -2.104 -7.609 1.00 0.00 C ATOM 544 NE2 HIS A 37 -7.169 -3.179 -7.040 1.00 0.00 N ATOM 0 H HIS A 37 -8.211 -0.151 -2.023 1.00 0.00 H new ATOM 0 HA HIS A 37 -8.678 0.617 -4.833 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -6.378 -0.069 -4.312 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -6.954 -1.474 -3.437 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -7.820 -3.578 -5.002 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -6.381 -2.018 -8.643 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -7.334 -4.075 -7.499 1.00 0.00 H new ATOM 553 N ILE A 38 -10.256 -1.166 -5.309 1.00 0.00 N ATOM 554 CA ILE A 38 -11.426 -2.011 -5.644 1.00 0.00 C ATOM 555 C ILE A 38 -10.857 -3.449 -5.920 1.00 0.00 C ATOM 556 O ILE A 38 -10.090 -3.666 -6.875 1.00 0.00 O ATOM 557 CB ILE A 38 -11.994 -1.495 -6.916 1.00 0.00 C ATOM 558 CG1 ILE A 38 -12.397 -0.003 -6.797 1.00 0.00 C ATOM 559 CG2 ILE A 38 -13.203 -2.355 -7.228 1.00 0.00 C ATOM 560 CD1 ILE A 38 -13.477 0.288 -5.764 1.00 0.00 C ATOM 0 H ILE A 38 -9.933 -0.614 -6.104 1.00 0.00 H new ATOM 0 HA ILE A 38 -12.179 -2.013 -4.856 1.00 0.00 H new ATOM 0 HB ILE A 38 -11.253 -1.548 -7.714 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -11.510 0.579 -6.548 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -12.743 0.344 -7.771 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -13.660 -2.016 -8.158 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -12.893 -3.394 -7.334 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -13.927 -2.273 -6.417 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -13.692 1.357 -5.753 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -14.383 -0.262 -6.020 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -13.131 -0.022 -4.778 1.00 0.00 H new ATOM 572 N PHE A 39 -11.180 -4.355 -5.085 1.00 0.00 N ATOM 573 CA PHE A 39 -10.815 -5.722 -5.233 1.00 0.00 C ATOM 574 C PHE A 39 -12.073 -6.534 -5.429 1.00 0.00 C ATOM 575 O PHE A 39 -13.131 -6.147 -4.953 1.00 0.00 O ATOM 576 CB PHE A 39 -10.112 -6.224 -4.005 1.00 0.00 C ATOM 577 CG PHE A 39 -8.758 -5.680 -3.720 1.00 0.00 C ATOM 578 CD1 PHE A 39 -7.633 -6.278 -4.253 1.00 0.00 C ATOM 579 CD2 PHE A 39 -8.606 -4.616 -2.873 1.00 0.00 C ATOM 580 CE1 PHE A 39 -6.377 -5.813 -3.952 1.00 0.00 C ATOM 581 CE2 PHE A 39 -7.355 -4.146 -2.551 1.00 0.00 C ATOM 582 CZ PHE A 39 -6.235 -4.747 -3.095 1.00 0.00 C ATOM 0 H PHE A 39 -11.727 -4.167 -4.245 1.00 0.00 H new ATOM 0 HA PHE A 39 -10.145 -5.818 -6.087 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -10.747 -6.014 -3.144 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -10.030 -7.308 -4.084 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -7.743 -7.123 -4.916 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -9.479 -4.140 -2.452 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -5.506 -6.281 -4.386 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -7.247 -3.310 -1.875 1.00 0.00 H new ATOM 0 HZ PHE A 39 -5.250 -4.380 -2.847 1.00 0.00 H new ATOM 592 N ASP A 40 -11.958 -7.637 -6.121 1.00 0.00 N ATOM 593 CA ASP A 40 -13.064 -8.534 -6.387 1.00 0.00 C ATOM 594 C ASP A 40 -12.512 -9.950 -6.416 1.00 0.00 C ATOM 595 O ASP A 40 -11.324 -10.152 -6.134 1.00 0.00 O ATOM 596 CB ASP A 40 -13.747 -8.209 -7.730 1.00 0.00 C ATOM 597 CG ASP A 40 -12.796 -8.293 -8.926 1.00 0.00 C ATOM 598 OD1 ASP A 40 -12.226 -9.353 -9.185 1.00 0.00 O ATOM 599 OD2 ASP A 40 -12.577 -7.283 -9.599 1.00 0.00 O ATOM 0 H ASP A 40 -11.075 -7.948 -6.527 1.00 0.00 H new ATOM 0 HA ASP A 40 -13.818 -8.422 -5.608 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -14.577 -8.899 -7.885 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -14.171 -7.206 -7.681 1.00 0.00 H new ATOM 604 N GLY A 41 -13.330 -10.888 -6.840 1.00 0.00 N ATOM 605 CA GLY A 41 -12.928 -12.276 -6.877 1.00 0.00 C ATOM 606 C GLY A 41 -13.019 -12.840 -8.283 1.00 0.00 C ATOM 607 O GLY A 41 -13.041 -14.062 -8.485 1.00 0.00 O ATOM 0 H GLY A 41 -14.281 -10.713 -7.165 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -11.906 -12.370 -6.511 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -13.562 -12.858 -6.208 1.00 0.00 H new ATOM 611 N GLU A 42 -13.066 -11.955 -9.249 1.00 0.00 N ATOM 612 CA GLU A 42 -13.208 -12.303 -10.613 1.00 0.00 C ATOM 613 C GLU A 42 -11.960 -11.972 -11.419 1.00 0.00 C ATOM 614 O GLU A 42 -11.694 -12.577 -12.467 1.00 0.00 O ATOM 615 CB GLU A 42 -14.419 -11.589 -11.150 1.00 0.00 C ATOM 616 CG GLU A 42 -15.716 -12.116 -10.551 1.00 0.00 C ATOM 617 CD GLU A 42 -16.943 -11.382 -11.010 1.00 0.00 C ATOM 618 OE1 GLU A 42 -17.298 -11.465 -12.203 1.00 0.00 O ATOM 619 OE2 GLU A 42 -17.588 -10.708 -10.187 1.00 0.00 O ATOM 0 H GLU A 42 -13.004 -10.950 -9.088 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.341 -13.381 -10.702 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -14.332 -10.523 -10.940 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -14.451 -11.699 -12.234 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -15.820 -13.171 -10.806 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -15.654 -12.055 -9.464 1.00 0.00 H new ATOM 626 N THR A 43 -11.219 -11.020 -10.940 1.00 0.00 N ATOM 627 CA THR A 43 -10.009 -10.603 -11.496 1.00 0.00 C ATOM 628 C THR A 43 -8.858 -11.255 -10.731 1.00 0.00 C ATOM 629 O THR A 43 -8.912 -11.343 -9.480 1.00 0.00 O ATOM 630 CB THR A 43 -9.910 -9.106 -11.309 1.00 0.00 C ATOM 631 OG1 THR A 43 -11.039 -8.433 -11.877 1.00 0.00 O ATOM 632 CG2 THR A 43 -8.608 -8.543 -11.820 1.00 0.00 C ATOM 0 H THR A 43 -11.475 -10.496 -10.103 1.00 0.00 H new ATOM 0 HA THR A 43 -9.959 -10.876 -12.550 1.00 0.00 H new ATOM 0 HB THR A 43 -9.922 -8.923 -10.235 1.00 0.00 H new ATOM 0 HG1 THR A 43 -11.498 -7.919 -11.180 1.00 0.00 H new ATOM 0 HG21 THR A 43 -8.590 -7.465 -11.661 1.00 0.00 H new ATOM 0 HG22 THR A 43 -7.778 -9.003 -11.284 1.00 0.00 H new ATOM 0 HG23 THR A 43 -8.514 -8.754 -12.885 1.00 0.00 H new ATOM 640 N ALA A 44 -7.860 -11.736 -11.460 1.00 0.00 N ATOM 641 CA ALA A 44 -6.648 -12.270 -10.873 1.00 0.00 C ATOM 642 C ALA A 44 -6.011 -11.257 -9.946 1.00 0.00 C ATOM 643 O ALA A 44 -6.052 -10.034 -10.194 1.00 0.00 O ATOM 644 CB ALA A 44 -5.641 -12.669 -11.947 1.00 0.00 C ATOM 0 H ALA A 44 -7.873 -11.765 -12.480 1.00 0.00 H new ATOM 0 HA ALA A 44 -6.927 -13.157 -10.305 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -4.743 -13.066 -11.474 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -6.079 -13.431 -12.591 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -5.381 -11.795 -12.544 1.00 0.00 H new ATOM 650 N VAL A 45 -5.427 -11.770 -8.894 1.00 0.00 N ATOM 651 CA VAL A 45 -4.724 -10.992 -7.893 1.00 0.00 C ATOM 652 C VAL A 45 -3.697 -10.118 -8.554 1.00 0.00 C ATOM 653 O VAL A 45 -3.695 -8.918 -8.377 1.00 0.00 O ATOM 654 CB VAL A 45 -3.918 -11.902 -6.960 1.00 0.00 C ATOM 655 CG1 VAL A 45 -3.147 -11.057 -5.979 1.00 0.00 C ATOM 656 CG2 VAL A 45 -4.864 -12.800 -6.222 1.00 0.00 C ATOM 0 H VAL A 45 -5.425 -12.771 -8.700 1.00 0.00 H new ATOM 0 HA VAL A 45 -5.478 -10.422 -7.350 1.00 0.00 H new ATOM 0 HB VAL A 45 -3.218 -12.504 -7.540 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -2.573 -11.703 -5.315 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.468 -10.399 -6.521 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -3.842 -10.457 -5.391 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.301 -13.452 -5.555 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -5.558 -12.196 -5.638 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -5.422 -13.406 -6.936 1.00 0.00 H new ATOM 666 N LYS A 46 -2.855 -10.750 -9.350 1.00 0.00 N ATOM 667 CA LYS A 46 -1.754 -10.081 -10.033 1.00 0.00 C ATOM 668 C LYS A 46 -2.226 -8.947 -10.927 1.00 0.00 C ATOM 669 O LYS A 46 -1.522 -7.991 -11.159 1.00 0.00 O ATOM 670 CB LYS A 46 -0.894 -11.074 -10.812 1.00 0.00 C ATOM 671 CG LYS A 46 -1.652 -11.965 -11.775 1.00 0.00 C ATOM 672 CD LYS A 46 -0.695 -12.880 -12.506 1.00 0.00 C ATOM 673 CE LYS A 46 -1.426 -13.872 -13.386 1.00 0.00 C ATOM 674 NZ LYS A 46 -0.496 -14.722 -14.168 1.00 0.00 N ATOM 0 H LYS A 46 -2.913 -11.750 -9.545 1.00 0.00 H new ATOM 0 HA LYS A 46 -1.134 -9.634 -9.256 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -0.142 -10.518 -11.371 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.361 -11.705 -10.101 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -2.388 -12.557 -11.231 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -2.201 -11.354 -12.492 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -0.017 -12.284 -13.116 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -0.083 -13.418 -11.782 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -2.060 -14.506 -12.766 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -2.084 -13.333 -14.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -1.042 -15.385 -14.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 0.092 -14.121 -14.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 0.115 -15.257 -13.518 1.00 0.00 H new ATOM 688 N ASP A 47 -3.407 -9.049 -11.415 1.00 0.00 N ATOM 689 CA ASP A 47 -3.961 -8.006 -12.214 1.00 0.00 C ATOM 690 C ASP A 47 -4.417 -6.856 -11.361 1.00 0.00 C ATOM 691 O ASP A 47 -4.237 -5.697 -11.731 1.00 0.00 O ATOM 692 CB ASP A 47 -5.053 -8.517 -13.107 1.00 0.00 C ATOM 693 CG ASP A 47 -4.519 -9.384 -14.211 1.00 0.00 C ATOM 694 OD1 ASP A 47 -3.467 -9.039 -14.801 1.00 0.00 O ATOM 695 OD2 ASP A 47 -5.126 -10.418 -14.520 1.00 0.00 O ATOM 0 H ASP A 47 -4.020 -9.852 -11.276 1.00 0.00 H new ATOM 0 HA ASP A 47 -3.173 -7.630 -12.867 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -5.770 -9.086 -12.514 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -5.593 -7.674 -13.538 1.00 0.00 H new ATOM 700 N HIS A 48 -4.973 -7.177 -10.201 1.00 0.00 N ATOM 701 CA HIS A 48 -5.313 -6.172 -9.194 1.00 0.00 C ATOM 702 C HIS A 48 -4.001 -5.487 -8.747 1.00 0.00 C ATOM 703 O HIS A 48 -3.954 -4.278 -8.518 1.00 0.00 O ATOM 704 CB HIS A 48 -6.004 -6.806 -7.965 1.00 0.00 C ATOM 705 CG HIS A 48 -7.384 -7.377 -8.144 1.00 0.00 C ATOM 706 ND1 HIS A 48 -8.506 -6.613 -8.388 1.00 0.00 N ATOM 707 CD2 HIS A 48 -7.828 -8.655 -8.032 1.00 0.00 C ATOM 708 CE1 HIS A 48 -9.563 -7.380 -8.406 1.00 0.00 C ATOM 709 NE2 HIS A 48 -9.186 -8.627 -8.192 1.00 0.00 N ATOM 0 H HIS A 48 -5.201 -8.133 -9.929 1.00 0.00 H new ATOM 0 HA HIS A 48 -6.009 -5.454 -9.628 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -5.359 -7.603 -7.594 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -6.056 -6.048 -7.184 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -7.222 -9.530 -7.850 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -10.578 -7.049 -8.569 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -9.806 -9.436 -8.152 1.00 0.00 H new ATOM 718 N ILE A 49 -2.968 -6.292 -8.655 1.00 0.00 N ATOM 719 CA ILE A 49 -1.648 -5.864 -8.278 1.00 0.00 C ATOM 720 C ILE A 49 -1.009 -4.982 -9.332 1.00 0.00 C ATOM 721 O ILE A 49 -0.425 -3.973 -8.978 1.00 0.00 O ATOM 722 CB ILE A 49 -0.769 -7.034 -7.818 1.00 0.00 C ATOM 723 CG1 ILE A 49 -1.360 -7.600 -6.534 1.00 0.00 C ATOM 724 CG2 ILE A 49 0.687 -6.594 -7.607 1.00 0.00 C ATOM 725 CD1 ILE A 49 -0.535 -8.673 -5.921 1.00 0.00 C ATOM 0 H ILE A 49 -3.029 -7.292 -8.847 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.750 -5.226 -7.400 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.754 -7.803 -8.591 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -1.483 -6.791 -5.813 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -2.355 -7.993 -6.744 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.282 -7.448 -7.281 1.00 0.00 H new ATOM 0 HG22 ILE A 49 1.090 -6.207 -8.543 1.00 0.00 H new ATOM 0 HG23 ILE A 49 0.725 -5.814 -6.846 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.018 -9.028 -5.011 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -0.433 -9.500 -6.624 1.00 0.00 H new ATOM 0 HD13 ILE A 49 0.452 -8.279 -5.678 1.00 0.00 H new ATOM 737 N LYS A 50 -1.155 -5.312 -10.630 1.00 0.00 N ATOM 738 CA LYS A 50 -0.656 -4.404 -11.672 1.00 0.00 C ATOM 739 C LYS A 50 -1.275 -3.013 -11.517 1.00 0.00 C ATOM 740 O LYS A 50 -0.621 -2.005 -11.764 1.00 0.00 O ATOM 741 CB LYS A 50 -0.912 -4.917 -13.091 1.00 0.00 C ATOM 742 CG LYS A 50 -0.230 -6.189 -13.474 1.00 0.00 C ATOM 743 CD LYS A 50 -0.422 -6.401 -14.963 1.00 0.00 C ATOM 744 CE LYS A 50 0.075 -7.737 -15.428 1.00 0.00 C ATOM 745 NZ LYS A 50 -0.746 -8.853 -14.896 1.00 0.00 N ATOM 0 H LYS A 50 -1.597 -6.166 -10.970 1.00 0.00 H new ATOM 0 HA LYS A 50 0.424 -4.352 -11.534 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -1.986 -5.055 -13.215 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.607 -4.142 -13.794 1.00 0.00 H new ATOM 0 HG2 LYS A 50 0.831 -6.139 -13.231 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -0.646 -7.027 -12.914 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -1.481 -6.308 -15.205 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.100 -5.614 -15.508 1.00 0.00 H new ATOM 0 HE2 LYS A 50 0.066 -7.768 -16.518 1.00 0.00 H new ATOM 0 HE3 LYS A 50 1.111 -7.868 -15.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -0.551 -9.718 -15.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -0.509 -9.012 -13.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -1.754 -8.612 -14.979 1.00 0.00 H new ATOM 759 N VAL A 51 -2.528 -2.972 -11.077 1.00 0.00 N ATOM 760 CA VAL A 51 -3.223 -1.719 -10.849 1.00 0.00 C ATOM 761 C VAL A 51 -2.623 -0.995 -9.663 1.00 0.00 C ATOM 762 O VAL A 51 -2.264 0.174 -9.774 1.00 0.00 O ATOM 763 CB VAL A 51 -4.720 -1.888 -10.614 1.00 0.00 C ATOM 764 CG1 VAL A 51 -5.361 -0.547 -10.369 1.00 0.00 C ATOM 765 CG2 VAL A 51 -5.392 -2.624 -11.740 1.00 0.00 C ATOM 0 H VAL A 51 -3.084 -3.802 -10.871 1.00 0.00 H new ATOM 0 HA VAL A 51 -3.098 -1.138 -11.763 1.00 0.00 H new ATOM 0 HB VAL A 51 -4.852 -2.503 -9.724 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.430 -0.680 -10.202 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -4.912 -0.084 -9.491 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -5.206 0.094 -11.237 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -6.457 -2.720 -11.528 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -5.256 -2.070 -12.669 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -4.951 -3.616 -11.841 1.00 0.00 H new ATOM 775 N LEU A 52 -2.536 -1.666 -8.540 1.00 0.00 N ATOM 776 CA LEU A 52 -1.928 -1.105 -7.344 1.00 0.00 C ATOM 777 C LEU A 52 -0.540 -0.603 -7.624 1.00 0.00 C ATOM 778 O LEU A 52 -0.221 0.517 -7.255 1.00 0.00 O ATOM 779 CB LEU A 52 -1.900 -2.165 -6.274 1.00 0.00 C ATOM 780 CG LEU A 52 -3.257 -2.558 -5.789 1.00 0.00 C ATOM 781 CD1 LEU A 52 -3.218 -3.934 -5.234 1.00 0.00 C ATOM 782 CD2 LEU A 52 -3.727 -1.576 -4.754 1.00 0.00 C ATOM 0 H LEU A 52 -2.883 -2.618 -8.423 1.00 0.00 H new ATOM 0 HA LEU A 52 -2.519 -0.253 -7.007 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.392 -3.048 -6.662 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.312 -1.803 -5.430 1.00 0.00 H new ATOM 0 HG LEU A 52 -3.959 -2.546 -6.623 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -4.211 -4.213 -4.883 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.899 -4.630 -6.010 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.515 -3.971 -4.402 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.717 -1.865 -4.402 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.031 -1.570 -3.915 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -3.774 -0.579 -5.193 1.00 0.00 H new ATOM 794 N LEU A 53 0.268 -1.408 -8.306 1.00 0.00 N ATOM 795 CA LEU A 53 1.602 -1.012 -8.665 1.00 0.00 C ATOM 796 C LEU A 53 1.561 0.253 -9.482 1.00 0.00 C ATOM 797 O LEU A 53 2.234 1.198 -9.169 1.00 0.00 O ATOM 798 CB LEU A 53 2.307 -2.132 -9.419 1.00 0.00 C ATOM 799 CG LEU A 53 2.480 -3.421 -8.650 1.00 0.00 C ATOM 800 CD1 LEU A 53 3.202 -4.416 -9.497 1.00 0.00 C ATOM 801 CD2 LEU A 53 3.214 -3.182 -7.352 1.00 0.00 C ATOM 0 H LEU A 53 0.008 -2.344 -8.618 1.00 0.00 H new ATOM 0 HA LEU A 53 2.170 -0.814 -7.756 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.746 -2.344 -10.329 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.291 -1.777 -9.727 1.00 0.00 H new ATOM 0 HG LEU A 53 1.496 -3.818 -8.400 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.326 -5.345 -8.941 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.626 -4.609 -10.402 1.00 0.00 H new ATOM 0 HD13 LEU A 53 4.181 -4.021 -9.767 1.00 0.00 H new ATOM 0 HD21 LEU A 53 3.325 -4.126 -6.818 1.00 0.00 H new ATOM 0 HD22 LEU A 53 4.199 -2.766 -7.562 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.648 -2.482 -6.738 1.00 0.00 H new ATOM 813 N THR A 54 0.716 0.274 -10.484 1.00 0.00 N ATOM 814 CA THR A 54 0.537 1.399 -11.298 1.00 0.00 C ATOM 815 C THR A 54 0.076 2.655 -10.545 1.00 0.00 C ATOM 816 O THR A 54 0.542 3.769 -10.819 1.00 0.00 O ATOM 817 CB THR A 54 -0.352 1.026 -12.492 1.00 0.00 C ATOM 818 OG1 THR A 54 0.282 0.038 -13.305 1.00 0.00 O ATOM 819 CG2 THR A 54 -0.796 2.183 -13.306 1.00 0.00 C ATOM 0 H THR A 54 0.131 -0.521 -10.743 1.00 0.00 H new ATOM 0 HA THR A 54 1.514 1.696 -11.680 1.00 0.00 H new ATOM 0 HB THR A 54 -1.263 0.609 -12.064 1.00 0.00 H new ATOM 0 HG1 THR A 54 0.100 -0.853 -12.939 1.00 0.00 H new ATOM 0 HG21 THR A 54 -1.419 1.832 -14.128 1.00 0.00 H new ATOM 0 HG22 THR A 54 -1.371 2.868 -12.682 1.00 0.00 H new ATOM 0 HG23 THR A 54 0.075 2.702 -13.707 1.00 0.00 H new ATOM 827 N HIS A 55 -0.773 2.477 -9.568 1.00 0.00 N ATOM 828 CA HIS A 55 -1.206 3.566 -8.742 1.00 0.00 C ATOM 829 C HIS A 55 -0.111 4.025 -7.766 1.00 0.00 C ATOM 830 O HIS A 55 0.004 5.209 -7.473 1.00 0.00 O ATOM 831 CB HIS A 55 -2.546 3.207 -8.070 1.00 0.00 C ATOM 832 CG HIS A 55 -3.093 4.280 -7.169 1.00 0.00 C ATOM 833 ND1 HIS A 55 -3.956 5.255 -7.595 1.00 0.00 N ATOM 834 CD2 HIS A 55 -2.875 4.524 -5.860 1.00 0.00 C ATOM 835 CE1 HIS A 55 -4.243 6.060 -6.597 1.00 0.00 C ATOM 836 NE2 HIS A 55 -3.598 5.643 -5.528 1.00 0.00 N ATOM 0 H HIS A 55 -1.181 1.575 -9.325 1.00 0.00 H new ATOM 0 HA HIS A 55 -1.389 4.441 -9.366 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -3.281 2.990 -8.845 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -2.415 2.294 -7.490 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -2.248 3.946 -5.197 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -4.897 6.918 -6.646 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -3.630 6.079 -4.606 1.00 0.00 H new ATOM 845 N PHE A 56 0.690 3.097 -7.297 1.00 0.00 N ATOM 846 CA PHE A 56 1.813 3.411 -6.426 1.00 0.00 C ATOM 847 C PHE A 56 3.059 3.793 -7.209 1.00 0.00 C ATOM 848 O PHE A 56 4.111 4.071 -6.628 1.00 0.00 O ATOM 849 CB PHE A 56 2.108 2.263 -5.501 1.00 0.00 C ATOM 850 CG PHE A 56 1.084 2.088 -4.441 1.00 0.00 C ATOM 851 CD1 PHE A 56 0.886 3.083 -3.512 1.00 0.00 C ATOM 852 CD2 PHE A 56 0.347 0.931 -4.351 1.00 0.00 C ATOM 853 CE1 PHE A 56 -0.033 2.934 -2.502 1.00 0.00 C ATOM 854 CE2 PHE A 56 -0.583 0.767 -3.350 1.00 0.00 C ATOM 855 CZ PHE A 56 -0.770 1.774 -2.418 1.00 0.00 C ATOM 0 H PHE A 56 0.587 2.104 -7.504 1.00 0.00 H new ATOM 0 HA PHE A 56 1.522 4.278 -5.833 1.00 0.00 H new ATOM 0 HB2 PHE A 56 2.179 1.345 -6.084 1.00 0.00 H new ATOM 0 HB3 PHE A 56 3.081 2.421 -5.035 1.00 0.00 H new ATOM 0 HD1 PHE A 56 1.461 3.995 -3.578 1.00 0.00 H new ATOM 0 HD2 PHE A 56 0.499 0.143 -5.073 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -0.177 3.722 -1.778 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -1.164 -0.142 -3.292 1.00 0.00 H new ATOM 0 HZ PHE A 56 -1.493 1.650 -1.626 1.00 0.00 H new ATOM 865 N LYS A 57 2.916 3.781 -8.509 1.00 0.00 N ATOM 866 CA LYS A 57 3.945 4.192 -9.484 1.00 0.00 C ATOM 867 C LYS A 57 5.109 3.205 -9.563 1.00 0.00 C ATOM 868 O LYS A 57 6.259 3.571 -9.801 1.00 0.00 O ATOM 869 CB LYS A 57 4.409 5.624 -9.225 1.00 0.00 C ATOM 870 CG LYS A 57 3.320 6.663 -9.464 1.00 0.00 C ATOM 871 CD LYS A 57 3.777 8.065 -9.099 1.00 0.00 C ATOM 872 CE LYS A 57 5.002 8.490 -9.889 1.00 0.00 C ATOM 873 NZ LYS A 57 5.382 9.877 -9.582 1.00 0.00 N ATOM 0 H LYS A 57 2.051 3.475 -8.956 1.00 0.00 H new ATOM 0 HA LYS A 57 3.479 4.175 -10.469 1.00 0.00 H new ATOM 0 HB2 LYS A 57 4.759 5.705 -8.196 1.00 0.00 H new ATOM 0 HB3 LYS A 57 5.260 5.845 -9.869 1.00 0.00 H new ATOM 0 HG2 LYS A 57 3.022 6.641 -10.512 1.00 0.00 H new ATOM 0 HG3 LYS A 57 2.439 6.405 -8.877 1.00 0.00 H new ATOM 0 HD2 LYS A 57 2.966 8.769 -9.282 1.00 0.00 H new ATOM 0 HD3 LYS A 57 4.001 8.107 -8.033 1.00 0.00 H new ATOM 0 HE2 LYS A 57 5.834 7.824 -9.660 1.00 0.00 H new ATOM 0 HE3 LYS A 57 4.801 8.394 -10.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 6.222 10.138 -10.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 4.596 10.514 -9.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 5.597 9.962 -8.568 1.00 0.00 H new ATOM 887 N ILE A 58 4.780 1.967 -9.409 1.00 0.00 N ATOM 888 CA ILE A 58 5.681 0.896 -9.507 1.00 0.00 C ATOM 889 C ILE A 58 5.423 0.185 -10.830 1.00 0.00 C ATOM 890 O ILE A 58 4.257 0.003 -11.203 1.00 0.00 O ATOM 891 CB ILE A 58 5.414 -0.077 -8.366 1.00 0.00 C ATOM 892 CG1 ILE A 58 5.573 0.666 -7.059 1.00 0.00 C ATOM 893 CG2 ILE A 58 6.364 -1.279 -8.432 1.00 0.00 C ATOM 894 CD1 ILE A 58 5.166 -0.131 -5.900 1.00 0.00 C ATOM 0 H ILE A 58 3.826 1.672 -9.202 1.00 0.00 H new ATOM 0 HA ILE A 58 6.710 1.253 -9.456 1.00 0.00 H new ATOM 0 HB ILE A 58 4.400 -0.468 -8.448 1.00 0.00 H new ATOM 0 HG12 ILE A 58 6.614 0.965 -6.941 1.00 0.00 H new ATOM 0 HG13 ILE A 58 4.980 1.580 -7.092 1.00 0.00 H new ATOM 0 HG21 ILE A 58 6.151 -1.957 -7.606 1.00 0.00 H new ATOM 0 HG22 ILE A 58 6.222 -1.803 -9.377 1.00 0.00 H new ATOM 0 HG23 ILE A 58 7.395 -0.932 -8.360 1.00 0.00 H new ATOM 0 HD11 ILE A 58 5.302 0.454 -4.990 1.00 0.00 H new ATOM 0 HD12 ILE A 58 4.117 -0.408 -5.999 1.00 0.00 H new ATOM 0 HD13 ILE A 58 5.776 -1.033 -5.846 1.00 0.00 H new ATOM 906 N PRO A 59 6.463 -0.140 -11.608 1.00 0.00 N ATOM 907 CA PRO A 59 6.302 -0.948 -12.813 1.00 0.00 C ATOM 908 C PRO A 59 5.621 -2.247 -12.497 1.00 0.00 C ATOM 909 O PRO A 59 5.986 -2.954 -11.536 1.00 0.00 O ATOM 910 CB PRO A 59 7.730 -1.216 -13.259 1.00 0.00 C ATOM 911 CG PRO A 59 8.491 -0.066 -12.739 1.00 0.00 C ATOM 912 CD PRO A 59 7.859 0.288 -11.418 1.00 0.00 C ATOM 0 HA PRO A 59 5.695 -0.450 -13.569 1.00 0.00 H new ATOM 0 HB2 PRO A 59 8.104 -2.157 -12.855 1.00 0.00 H new ATOM 0 HB3 PRO A 59 7.802 -1.284 -14.344 1.00 0.00 H new ATOM 0 HG2 PRO A 59 9.543 -0.320 -12.612 1.00 0.00 H new ATOM 0 HG3 PRO A 59 8.447 0.776 -13.430 1.00 0.00 H new ATOM 0 HD2 PRO A 59 8.334 -0.234 -10.588 1.00 0.00 H new ATOM 0 HD3 PRO A 59 7.931 1.355 -11.206 1.00 0.00 H new ATOM 920 N VAL A 60 4.654 -2.576 -13.312 1.00 0.00 N ATOM 921 CA VAL A 60 3.880 -3.777 -13.177 1.00 0.00 C ATOM 922 C VAL A 60 4.703 -5.022 -13.296 1.00 0.00 C ATOM 923 O VAL A 60 4.231 -6.088 -13.023 1.00 0.00 O ATOM 924 CB VAL A 60 2.757 -3.836 -14.233 1.00 0.00 C ATOM 925 CG1 VAL A 60 1.785 -2.705 -14.032 1.00 0.00 C ATOM 926 CG2 VAL A 60 3.321 -3.808 -15.629 1.00 0.00 C ATOM 0 H VAL A 60 4.378 -2.000 -14.107 1.00 0.00 H new ATOM 0 HA VAL A 60 3.458 -3.738 -12.173 1.00 0.00 H new ATOM 0 HB VAL A 60 2.225 -4.779 -14.106 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.000 -2.762 -14.786 1.00 0.00 H new ATOM 0 HG12 VAL A 60 1.341 -2.779 -13.039 1.00 0.00 H new ATOM 0 HG13 VAL A 60 2.309 -1.754 -14.126 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.506 -3.851 -16.352 1.00 0.00 H new ATOM 0 HG22 VAL A 60 3.887 -2.888 -15.774 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.979 -4.665 -15.773 1.00 0.00 H new ATOM 936 N ASP A 61 5.947 -4.880 -13.698 1.00 0.00 N ATOM 937 CA ASP A 61 6.828 -6.025 -13.850 1.00 0.00 C ATOM 938 C ASP A 61 7.143 -6.638 -12.499 1.00 0.00 C ATOM 939 O ASP A 61 7.474 -7.831 -12.409 1.00 0.00 O ATOM 940 CB ASP A 61 8.101 -5.670 -14.604 1.00 0.00 C ATOM 941 CG ASP A 61 7.837 -5.196 -16.005 1.00 0.00 C ATOM 942 OD1 ASP A 61 7.769 -6.034 -16.929 1.00 0.00 O ATOM 943 OD2 ASP A 61 7.697 -3.969 -16.218 1.00 0.00 O ATOM 0 H ASP A 61 6.375 -3.983 -13.927 1.00 0.00 H new ATOM 0 HA ASP A 61 6.302 -6.767 -14.451 1.00 0.00 H new ATOM 0 HB2 ASP A 61 8.636 -4.893 -14.058 1.00 0.00 H new ATOM 0 HB3 ASP A 61 8.753 -6.543 -14.638 1.00 0.00 H new ATOM 948 N LYS A 62 6.960 -5.851 -11.431 1.00 0.00 N ATOM 949 CA LYS A 62 7.225 -6.329 -10.106 1.00 0.00 C ATOM 950 C LYS A 62 6.052 -7.118 -9.551 1.00 0.00 C ATOM 951 O LYS A 62 6.135 -7.623 -8.461 1.00 0.00 O ATOM 952 CB LYS A 62 7.595 -5.221 -9.117 1.00 0.00 C ATOM 953 CG LYS A 62 8.980 -4.618 -9.246 1.00 0.00 C ATOM 954 CD LYS A 62 9.052 -3.586 -10.330 1.00 0.00 C ATOM 955 CE LYS A 62 10.458 -3.016 -10.452 1.00 0.00 C ATOM 956 NZ LYS A 62 11.450 -4.061 -10.781 1.00 0.00 N ATOM 0 H LYS A 62 6.630 -4.887 -11.478 1.00 0.00 H new ATOM 0 HA LYS A 62 8.092 -6.981 -10.212 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.865 -4.418 -9.219 1.00 0.00 H new ATOM 0 HB3 LYS A 62 7.492 -5.619 -8.108 1.00 0.00 H new ATOM 0 HG2 LYS A 62 9.267 -4.165 -8.297 1.00 0.00 H new ATOM 0 HG3 LYS A 62 9.701 -5.409 -9.452 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.753 -4.030 -11.279 1.00 0.00 H new ATOM 0 HD3 LYS A 62 8.347 -2.782 -10.118 1.00 0.00 H new ATOM 0 HE2 LYS A 62 10.472 -2.246 -11.224 1.00 0.00 H new ATOM 0 HE3 LYS A 62 10.736 -2.533 -9.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 12.326 -3.614 -11.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 11.654 -4.625 -9.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 11.068 -4.680 -11.524 1.00 0.00 H new ATOM 970 N VAL A 63 4.946 -7.167 -10.301 1.00 0.00 N ATOM 971 CA VAL A 63 3.714 -7.955 -9.980 1.00 0.00 C ATOM 972 C VAL A 63 4.079 -9.405 -9.607 1.00 0.00 C ATOM 973 O VAL A 63 3.406 -10.068 -8.816 1.00 0.00 O ATOM 974 CB VAL A 63 2.841 -7.918 -11.263 1.00 0.00 C ATOM 975 CG1 VAL A 63 3.234 -8.874 -12.384 1.00 0.00 C ATOM 976 CG2 VAL A 63 1.417 -8.083 -10.907 1.00 0.00 C ATOM 0 H VAL A 63 4.864 -6.651 -11.177 1.00 0.00 H new ATOM 0 HA VAL A 63 3.182 -7.537 -9.125 1.00 0.00 H new ATOM 0 HB VAL A 63 3.027 -6.933 -11.692 1.00 0.00 H new ATOM 0 HG11 VAL A 63 2.549 -8.752 -13.223 1.00 0.00 H new ATOM 0 HG12 VAL A 63 4.250 -8.654 -12.710 1.00 0.00 H new ATOM 0 HG13 VAL A 63 3.184 -9.901 -12.021 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.810 -8.056 -11.812 1.00 0.00 H new ATOM 0 HG22 VAL A 63 1.276 -9.040 -10.404 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.112 -7.275 -10.242 1.00 0.00 H new ATOM 986 N SER A 64 5.165 -9.843 -10.201 1.00 0.00 N ATOM 987 CA SER A 64 5.809 -11.104 -9.956 1.00 0.00 C ATOM 988 C SER A 64 6.145 -11.262 -8.468 1.00 0.00 C ATOM 989 O SER A 64 5.913 -12.310 -7.848 1.00 0.00 O ATOM 990 CB SER A 64 7.150 -11.059 -10.718 1.00 0.00 C ATOM 991 OG SER A 64 7.854 -9.837 -10.442 1.00 0.00 O ATOM 0 H SER A 64 5.648 -9.292 -10.910 1.00 0.00 H new ATOM 0 HA SER A 64 5.158 -11.921 -10.267 1.00 0.00 H new ATOM 0 HB2 SER A 64 7.766 -11.911 -10.430 1.00 0.00 H new ATOM 0 HB3 SER A 64 6.968 -11.145 -11.789 1.00 0.00 H new ATOM 0 HG SER A 64 7.681 -9.191 -11.158 1.00 0.00 H new ATOM 997 N SER A 65 6.647 -10.185 -7.915 1.00 0.00 N ATOM 998 CA SER A 65 7.181 -10.125 -6.617 1.00 0.00 C ATOM 999 C SER A 65 6.304 -9.336 -5.659 1.00 0.00 C ATOM 1000 O SER A 65 6.747 -8.980 -4.587 1.00 0.00 O ATOM 1001 CB SER A 65 8.547 -9.471 -6.699 1.00 0.00 C ATOM 1002 OG SER A 65 9.347 -10.121 -7.687 1.00 0.00 O ATOM 0 H SER A 65 6.686 -9.290 -8.402 1.00 0.00 H new ATOM 0 HA SER A 65 7.244 -11.141 -6.228 1.00 0.00 H new ATOM 0 HB2 SER A 65 8.438 -8.415 -6.946 1.00 0.00 H new ATOM 0 HB3 SER A 65 9.042 -9.522 -5.729 1.00 0.00 H new ATOM 0 HG SER A 65 10.117 -10.547 -7.256 1.00 0.00 H new ATOM 1008 N TYR A 66 5.098 -9.056 -6.030 1.00 0.00 N ATOM 1009 CA TYR A 66 4.210 -8.354 -5.144 1.00 0.00 C ATOM 1010 C TYR A 66 3.077 -9.215 -4.740 1.00 0.00 C ATOM 1011 O TYR A 66 2.562 -9.991 -5.539 1.00 0.00 O ATOM 1012 CB TYR A 66 3.724 -7.040 -5.715 1.00 0.00 C ATOM 1013 CG TYR A 66 4.638 -5.882 -5.425 1.00 0.00 C ATOM 1014 CD1 TYR A 66 4.490 -5.174 -4.260 1.00 0.00 C ATOM 1015 CD2 TYR A 66 5.627 -5.498 -6.298 1.00 0.00 C ATOM 1016 CE1 TYR A 66 5.290 -4.112 -3.956 1.00 0.00 C ATOM 1017 CE2 TYR A 66 6.453 -4.424 -6.016 1.00 0.00 C ATOM 1018 CZ TYR A 66 6.270 -3.729 -4.828 1.00 0.00 C ATOM 1019 OH TYR A 66 7.084 -2.661 -4.501 1.00 0.00 O ATOM 0 H TYR A 66 4.700 -9.299 -6.937 1.00 0.00 H new ATOM 0 HA TYR A 66 4.789 -8.105 -4.255 1.00 0.00 H new ATOM 0 HB2 TYR A 66 3.612 -7.142 -6.794 1.00 0.00 H new ATOM 0 HB3 TYR A 66 2.735 -6.822 -5.311 1.00 0.00 H new ATOM 0 HD1 TYR A 66 3.718 -5.466 -3.563 1.00 0.00 H new ATOM 0 HD2 TYR A 66 5.762 -6.044 -7.220 1.00 0.00 H new ATOM 0 HE1 TYR A 66 5.149 -3.576 -3.029 1.00 0.00 H new ATOM 0 HE2 TYR A 66 7.228 -4.131 -6.709 1.00 0.00 H new ATOM 0 HH TYR A 66 7.178 -2.608 -3.527 1.00 0.00 H new ATOM 1029 N ALA A 67 2.707 -9.102 -3.504 1.00 0.00 N ATOM 1030 CA ALA A 67 1.665 -9.891 -2.954 1.00 0.00 C ATOM 1031 C ALA A 67 0.984 -9.136 -1.844 1.00 0.00 C ATOM 1032 O ALA A 67 1.596 -8.280 -1.191 1.00 0.00 O ATOM 1033 CB ALA A 67 2.219 -11.206 -2.437 1.00 0.00 C ATOM 0 H ALA A 67 3.129 -8.449 -2.844 1.00 0.00 H new ATOM 0 HA ALA A 67 0.934 -10.107 -3.733 1.00 0.00 H new ATOM 0 HB1 ALA A 67 1.409 -11.802 -2.017 1.00 0.00 H new ATOM 0 HB2 ALA A 67 2.684 -11.752 -3.257 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.962 -11.009 -1.664 1.00 0.00 H new ATOM 1039 N LEU A 68 -0.278 -9.420 -1.681 1.00 0.00 N ATOM 1040 CA LEU A 68 -1.077 -8.858 -0.639 1.00 0.00 C ATOM 1041 C LEU A 68 -0.841 -9.659 0.623 1.00 0.00 C ATOM 1042 O LEU A 68 -1.013 -10.861 0.621 1.00 0.00 O ATOM 1043 CB LEU A 68 -2.545 -8.976 -1.050 1.00 0.00 C ATOM 1044 CG LEU A 68 -2.915 -8.304 -2.382 1.00 0.00 C ATOM 1045 CD1 LEU A 68 -4.348 -8.607 -2.734 1.00 0.00 C ATOM 1046 CD2 LEU A 68 -2.690 -6.791 -2.328 1.00 0.00 C ATOM 0 H LEU A 68 -0.787 -10.064 -2.286 1.00 0.00 H new ATOM 0 HA LEU A 68 -0.821 -7.812 -0.467 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.803 -10.033 -1.112 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -3.161 -8.544 -0.261 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.263 -8.709 -3.155 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.600 -8.126 -3.679 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.479 -9.685 -2.829 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -5.003 -8.229 -1.949 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.962 -6.348 -3.286 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.308 -6.359 -1.541 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.640 -6.587 -2.119 1.00 0.00 H new ATOM 1058 N GLN A 69 -0.423 -9.029 1.655 1.00 0.00 N ATOM 1059 CA GLN A 69 -0.138 -9.720 2.895 1.00 0.00 C ATOM 1060 C GLN A 69 -1.203 -9.344 3.913 1.00 0.00 C ATOM 1061 O GLN A 69 -1.778 -8.246 3.842 1.00 0.00 O ATOM 1062 CB GLN A 69 1.240 -9.296 3.432 1.00 0.00 C ATOM 1063 CG GLN A 69 1.793 -10.178 4.545 1.00 0.00 C ATOM 1064 CD GLN A 69 2.871 -9.495 5.363 1.00 0.00 C ATOM 1065 OE1 GLN A 69 2.859 -8.283 5.557 1.00 0.00 O ATOM 1066 NE2 GLN A 69 3.809 -10.258 5.843 1.00 0.00 N ATOM 0 H GLN A 69 -0.263 -8.022 1.684 1.00 0.00 H new ATOM 0 HA GLN A 69 -0.136 -10.796 2.721 1.00 0.00 H new ATOM 0 HB2 GLN A 69 1.950 -9.291 2.605 1.00 0.00 H new ATOM 0 HB3 GLN A 69 1.171 -8.272 3.800 1.00 0.00 H new ATOM 0 HG2 GLN A 69 0.978 -10.475 5.205 1.00 0.00 H new ATOM 0 HG3 GLN A 69 2.199 -11.091 4.109 1.00 0.00 H new ATOM 0 HE21 GLN A 69 3.791 -11.262 5.664 1.00 0.00 H new ATOM 0 HE22 GLN A 69 4.562 -9.852 6.398 1.00 0.00 H new ATOM 1075 N ASN A 70 -1.497 -10.252 4.806 1.00 0.00 N ATOM 1076 CA ASN A 70 -2.414 -10.001 5.893 1.00 0.00 C ATOM 1077 C ASN A 70 -1.680 -9.207 6.965 1.00 0.00 C ATOM 1078 O ASN A 70 -0.600 -9.607 7.398 1.00 0.00 O ATOM 1079 CB ASN A 70 -2.892 -11.311 6.507 1.00 0.00 C ATOM 1080 CG ASN A 70 -3.971 -11.102 7.564 1.00 0.00 C ATOM 1081 OD1 ASN A 70 -3.677 -10.826 8.744 1.00 0.00 O ATOM 1082 ND2 ASN A 70 -5.208 -11.269 7.181 1.00 0.00 N ATOM 0 H ASN A 70 -1.106 -11.194 4.802 1.00 0.00 H new ATOM 0 HA ASN A 70 -3.275 -9.452 5.513 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -3.280 -11.957 5.720 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -2.044 -11.829 6.956 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -5.968 -11.174 7.855 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -5.415 -11.494 6.208 1.00 0.00 H new ATOM 1089 N PRO A 71 -2.257 -8.106 7.425 1.00 0.00 N ATOM 1090 CA PRO A 71 -1.615 -7.209 8.401 1.00 0.00 C ATOM 1091 C PRO A 71 -1.423 -7.785 9.814 1.00 0.00 C ATOM 1092 O PRO A 71 -0.709 -7.185 10.630 1.00 0.00 O ATOM 1093 CB PRO A 71 -2.563 -6.027 8.454 1.00 0.00 C ATOM 1094 CG PRO A 71 -3.884 -6.569 8.045 1.00 0.00 C ATOM 1095 CD PRO A 71 -3.589 -7.606 7.017 1.00 0.00 C ATOM 0 HA PRO A 71 -0.596 -6.987 8.084 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -2.605 -5.601 9.456 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -2.239 -5.232 7.783 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -4.412 -6.999 8.896 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -4.521 -5.784 7.638 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -4.336 -8.400 7.018 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -3.572 -7.185 6.012 1.00 0.00 H new ATOM 1103 N PHE A 72 -2.045 -8.903 10.125 1.00 0.00 N ATOM 1104 CA PHE A 72 -1.922 -9.441 11.451 1.00 0.00 C ATOM 1105 C PHE A 72 -1.178 -10.747 11.483 1.00 0.00 C ATOM 1106 O PHE A 72 -0.344 -10.988 12.376 1.00 0.00 O ATOM 1107 CB PHE A 72 -3.294 -9.613 12.093 1.00 0.00 C ATOM 1108 CG PHE A 72 -3.976 -8.312 12.425 1.00 0.00 C ATOM 1109 CD1 PHE A 72 -3.710 -7.663 13.619 1.00 0.00 C ATOM 1110 CD2 PHE A 72 -4.876 -7.738 11.547 1.00 0.00 C ATOM 1111 CE1 PHE A 72 -4.331 -6.468 13.930 1.00 0.00 C ATOM 1112 CE2 PHE A 72 -5.499 -6.544 11.852 1.00 0.00 C ATOM 1113 CZ PHE A 72 -5.225 -5.909 13.047 1.00 0.00 C ATOM 0 H PHE A 72 -2.629 -9.444 9.487 1.00 0.00 H new ATOM 0 HA PHE A 72 -1.339 -8.719 12.023 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -3.931 -10.185 11.419 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -3.187 -10.200 13.005 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -3.008 -8.096 14.316 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -5.095 -8.230 10.611 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -4.114 -5.974 14.866 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -6.200 -6.107 11.156 1.00 0.00 H new ATOM 0 HZ PHE A 72 -5.712 -4.975 13.288 1.00 0.00 H new ATOM 1123 N THR A 73 -1.452 -11.580 10.526 1.00 0.00 N ATOM 1124 CA THR A 73 -0.881 -12.909 10.486 1.00 0.00 C ATOM 1125 C THR A 73 0.385 -12.929 9.665 1.00 0.00 C ATOM 1126 O THR A 73 1.184 -13.865 9.760 1.00 0.00 O ATOM 1127 CB THR A 73 -1.868 -13.878 9.875 1.00 0.00 C ATOM 1128 OG1 THR A 73 -2.123 -13.490 8.516 1.00 0.00 O ATOM 1129 CG2 THR A 73 -3.162 -13.845 10.647 1.00 0.00 C ATOM 0 H THR A 73 -2.076 -11.367 9.748 1.00 0.00 H new ATOM 0 HA THR A 73 -0.649 -13.203 11.510 1.00 0.00 H new ATOM 0 HB THR A 73 -1.454 -14.886 9.907 1.00 0.00 H new ATOM 0 HG1 THR A 73 -2.761 -14.114 8.112 1.00 0.00 H new ATOM 0 HG21 THR A 73 -3.869 -14.545 10.202 1.00 0.00 H new ATOM 0 HG22 THR A 73 -2.975 -14.127 11.683 1.00 0.00 H new ATOM 0 HG23 THR A 73 -3.579 -12.839 10.615 1.00 0.00 H new ATOM 1137 N LEU A 74 0.555 -11.891 8.853 1.00 0.00 N ATOM 1138 CA LEU A 74 1.687 -11.730 7.964 1.00 0.00 C ATOM 1139 C LEU A 74 1.698 -12.786 6.868 1.00 0.00 C ATOM 1140 O LEU A 74 2.723 -13.020 6.211 1.00 0.00 O ATOM 1141 CB LEU A 74 3.012 -11.681 8.732 1.00 0.00 C ATOM 1142 CG LEU A 74 3.114 -10.608 9.792 1.00 0.00 C ATOM 1143 CD1 LEU A 74 4.548 -10.340 10.133 1.00 0.00 C ATOM 1144 CD2 LEU A 74 2.365 -9.334 9.416 1.00 0.00 C ATOM 0 H LEU A 74 -0.112 -11.121 8.798 1.00 0.00 H new ATOM 0 HA LEU A 74 1.574 -10.765 7.471 1.00 0.00 H new ATOM 0 HB2 LEU A 74 3.173 -12.650 9.205 1.00 0.00 H new ATOM 0 HB3 LEU A 74 3.821 -11.537 8.016 1.00 0.00 H new ATOM 0 HG LEU A 74 2.619 -10.986 10.686 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.601 -9.565 10.898 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.009 -11.253 10.509 1.00 0.00 H new ATOM 0 HD13 LEU A 74 5.078 -10.007 9.241 1.00 0.00 H new ATOM 0 HD21 LEU A 74 2.473 -8.599 10.214 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.777 -8.929 8.492 1.00 0.00 H new ATOM 0 HD23 LEU A 74 1.309 -9.562 9.273 1.00 0.00 H new ATOM 1156 N ALA A 75 0.540 -13.378 6.638 1.00 0.00 N ATOM 1157 CA ALA A 75 0.370 -14.375 5.618 1.00 0.00 C ATOM 1158 C ALA A 75 0.135 -13.727 4.279 1.00 0.00 C ATOM 1159 O ALA A 75 -0.640 -12.771 4.169 1.00 0.00 O ATOM 1160 CB ALA A 75 -0.796 -15.265 5.961 1.00 0.00 C ATOM 0 H ALA A 75 -0.310 -13.173 7.163 1.00 0.00 H new ATOM 0 HA ALA A 75 1.280 -14.973 5.563 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -0.919 -16.019 5.183 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -0.610 -15.756 6.916 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -1.703 -14.665 6.032 1.00 0.00 H new ATOM 1166 N TYR A 76 0.764 -14.247 3.277 1.00 0.00 N ATOM 1167 CA TYR A 76 0.687 -13.697 1.951 1.00 0.00 C ATOM 1168 C TYR A 76 -0.358 -14.368 1.111 1.00 0.00 C ATOM 1169 O TYR A 76 -0.494 -15.594 1.137 1.00 0.00 O ATOM 1170 CB TYR A 76 2.017 -13.813 1.263 1.00 0.00 C ATOM 1171 CG TYR A 76 3.009 -12.793 1.700 1.00 0.00 C ATOM 1172 CD1 TYR A 76 3.755 -12.956 2.842 1.00 0.00 C ATOM 1173 CD2 TYR A 76 3.208 -11.676 0.938 1.00 0.00 C ATOM 1174 CE1 TYR A 76 4.683 -12.011 3.213 1.00 0.00 C ATOM 1175 CE2 TYR A 76 4.133 -10.728 1.278 1.00 0.00 C ATOM 1176 CZ TYR A 76 4.874 -10.895 2.423 1.00 0.00 C ATOM 1177 OH TYR A 76 5.812 -9.958 2.776 1.00 0.00 O ATOM 0 H TYR A 76 1.354 -15.075 3.350 1.00 0.00 H new ATOM 0 HA TYR A 76 0.407 -12.649 2.062 1.00 0.00 H new ATOM 0 HB2 TYR A 76 2.426 -14.806 1.447 1.00 0.00 H new ATOM 0 HB3 TYR A 76 1.868 -13.724 0.187 1.00 0.00 H new ATOM 0 HD1 TYR A 76 3.611 -13.834 3.454 1.00 0.00 H new ATOM 0 HD2 TYR A 76 2.619 -11.538 0.043 1.00 0.00 H new ATOM 0 HE1 TYR A 76 5.259 -12.141 4.117 1.00 0.00 H new ATOM 0 HE2 TYR A 76 4.279 -9.859 0.654 1.00 0.00 H new ATOM 0 HH TYR A 76 5.820 -9.237 2.112 1.00 0.00 H new ATOM 1187 N VAL A 77 -1.096 -13.576 0.388 1.00 0.00 N ATOM 1188 CA VAL A 77 -2.037 -14.061 -0.573 1.00 0.00 C ATOM 1189 C VAL A 77 -1.242 -14.425 -1.811 1.00 0.00 C ATOM 1190 O VAL A 77 -0.758 -13.553 -2.542 1.00 0.00 O ATOM 1191 CB VAL A 77 -3.104 -12.984 -0.923 1.00 0.00 C ATOM 1192 CG1 VAL A 77 -4.086 -13.494 -1.966 1.00 0.00 C ATOM 1193 CG2 VAL A 77 -3.850 -12.543 0.329 1.00 0.00 C ATOM 0 H VAL A 77 -1.058 -12.559 0.453 1.00 0.00 H new ATOM 0 HA VAL A 77 -2.576 -14.919 -0.172 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.580 -12.125 -1.343 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -4.818 -12.717 -2.188 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -3.547 -13.755 -2.877 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -4.599 -14.376 -1.583 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.592 -11.790 0.064 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -4.349 -13.402 0.777 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -3.144 -12.121 1.044 1.00 0.00 H new ATOM 1203 N GLU A 78 -1.065 -15.698 -1.998 1.00 0.00 N ATOM 1204 CA GLU A 78 -0.254 -16.235 -3.069 1.00 0.00 C ATOM 1205 C GLU A 78 -1.138 -16.826 -4.138 1.00 0.00 C ATOM 1206 O GLU A 78 -0.676 -17.514 -5.057 1.00 0.00 O ATOM 1207 CB GLU A 78 0.635 -17.270 -2.487 1.00 0.00 C ATOM 1208 CG GLU A 78 1.648 -16.663 -1.521 1.00 0.00 C ATOM 1209 CD GLU A 78 2.854 -17.515 -1.333 1.00 0.00 C ATOM 1210 OE1 GLU A 78 2.829 -18.427 -0.484 1.00 0.00 O ATOM 1211 OE2 GLU A 78 3.863 -17.284 -2.048 1.00 0.00 O ATOM 0 H GLU A 78 -1.485 -16.413 -1.404 1.00 0.00 H new ATOM 0 HA GLU A 78 0.344 -15.450 -3.532 1.00 0.00 H new ATOM 0 HB2 GLU A 78 0.034 -18.014 -1.964 1.00 0.00 H new ATOM 0 HB3 GLU A 78 1.161 -17.790 -3.287 1.00 0.00 H new ATOM 0 HG2 GLU A 78 1.955 -15.685 -1.892 1.00 0.00 H new ATOM 0 HG3 GLU A 78 1.169 -16.502 -0.555 1.00 0.00 H new ATOM 1218 N ASP A 79 -2.405 -16.507 -4.025 1.00 0.00 N ATOM 1219 CA ASP A 79 -3.425 -16.944 -4.913 1.00 0.00 C ATOM 1220 C ASP A 79 -3.303 -16.269 -6.221 1.00 0.00 C ATOM 1221 O ASP A 79 -2.702 -15.200 -6.346 1.00 0.00 O ATOM 1222 CB ASP A 79 -4.810 -16.557 -4.374 1.00 0.00 C ATOM 1223 CG ASP A 79 -5.149 -17.197 -3.057 1.00 0.00 C ATOM 1224 OD1 ASP A 79 -4.636 -16.745 -2.016 1.00 0.00 O ATOM 1225 OD2 ASP A 79 -5.918 -18.195 -3.038 1.00 0.00 O ATOM 0 H ASP A 79 -2.755 -15.910 -3.276 1.00 0.00 H new ATOM 0 HA ASP A 79 -3.317 -18.024 -5.009 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -4.857 -15.474 -4.264 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -5.566 -16.836 -5.108 1.00 0.00 H new ATOM 1230 N SER A 80 -3.861 -16.883 -7.179 1.00 0.00 N ATOM 1231 CA SER A 80 -3.951 -16.370 -8.472 1.00 0.00 C ATOM 1232 C SER A 80 -5.149 -15.466 -8.587 1.00 0.00 C ATOM 1233 O SER A 80 -5.099 -14.429 -9.233 1.00 0.00 O ATOM 1234 CB SER A 80 -4.037 -17.501 -9.425 1.00 0.00 C ATOM 1235 OG SER A 80 -2.842 -18.288 -9.368 1.00 0.00 O ATOM 0 H SER A 80 -4.288 -17.803 -7.075 1.00 0.00 H new ATOM 0 HA SER A 80 -3.067 -15.776 -8.705 1.00 0.00 H new ATOM 0 HB2 SER A 80 -4.901 -18.121 -9.187 1.00 0.00 H new ATOM 0 HB3 SER A 80 -4.184 -17.123 -10.437 1.00 0.00 H new ATOM 0 HG SER A 80 -2.911 -19.033 -10.001 1.00 0.00 H new ATOM 1241 N PHE A 81 -6.210 -15.847 -7.937 1.00 0.00 N ATOM 1242 CA PHE A 81 -7.419 -15.099 -7.896 1.00 0.00 C ATOM 1243 C PHE A 81 -7.843 -14.925 -6.447 1.00 0.00 C ATOM 1244 O PHE A 81 -7.604 -15.797 -5.611 1.00 0.00 O ATOM 1245 CB PHE A 81 -8.497 -15.801 -8.673 1.00 0.00 C ATOM 1246 CG PHE A 81 -8.329 -15.791 -10.163 1.00 0.00 C ATOM 1247 CD1 PHE A 81 -7.456 -16.665 -10.776 1.00 0.00 C ATOM 1248 CD2 PHE A 81 -9.055 -14.919 -10.947 1.00 0.00 C ATOM 1249 CE1 PHE A 81 -7.303 -16.668 -12.147 1.00 0.00 C ATOM 1250 CE2 PHE A 81 -8.910 -14.912 -12.320 1.00 0.00 C ATOM 1251 CZ PHE A 81 -8.033 -15.787 -12.920 1.00 0.00 C ATOM 0 H PHE A 81 -6.252 -16.717 -7.405 1.00 0.00 H new ATOM 0 HA PHE A 81 -7.256 -14.121 -8.350 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -8.547 -16.837 -8.337 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -9.455 -15.341 -8.430 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -6.884 -17.356 -10.175 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -9.746 -14.232 -10.481 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -6.615 -17.357 -12.614 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -9.483 -14.222 -12.922 1.00 0.00 H new ATOM 0 HZ PHE A 81 -7.916 -15.784 -13.994 1.00 0.00 H new ATOM 1261 N LEU A 82 -8.470 -13.815 -6.170 1.00 0.00 N ATOM 1262 CA LEU A 82 -8.932 -13.479 -4.834 1.00 0.00 C ATOM 1263 C LEU A 82 -10.229 -14.162 -4.539 1.00 0.00 C ATOM 1264 O LEU A 82 -11.011 -14.472 -5.441 1.00 0.00 O ATOM 1265 CB LEU A 82 -9.106 -11.973 -4.713 1.00 0.00 C ATOM 1266 CG LEU A 82 -7.829 -11.194 -4.421 1.00 0.00 C ATOM 1267 CD1 LEU A 82 -8.097 -9.711 -4.365 1.00 0.00 C ATOM 1268 CD2 LEU A 82 -7.202 -11.682 -3.111 1.00 0.00 C ATOM 0 H LEU A 82 -8.682 -13.103 -6.869 1.00 0.00 H new ATOM 0 HA LEU A 82 -8.188 -13.818 -4.113 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -9.538 -11.597 -5.641 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -9.826 -11.769 -3.921 1.00 0.00 H new ATOM 0 HG LEU A 82 -7.125 -11.372 -5.234 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -7.168 -9.181 -4.155 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -8.497 -9.377 -5.322 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -8.820 -9.501 -3.577 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -6.290 -11.119 -2.912 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -7.906 -11.533 -2.293 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -6.963 -12.742 -3.195 1.00 0.00 H new ATOM 1280 N THR A 83 -10.448 -14.406 -3.297 1.00 0.00 N ATOM 1281 CA THR A 83 -11.625 -15.022 -2.852 1.00 0.00 C ATOM 1282 C THR A 83 -12.455 -13.976 -2.138 1.00 0.00 C ATOM 1283 O THR A 83 -11.891 -12.975 -1.651 1.00 0.00 O ATOM 1284 CB THR A 83 -11.294 -16.166 -1.864 1.00 0.00 C ATOM 1285 OG1 THR A 83 -10.569 -15.634 -0.745 1.00 0.00 O ATOM 1286 CG2 THR A 83 -10.451 -17.230 -2.535 1.00 0.00 C ATOM 0 H THR A 83 -9.792 -14.173 -2.551 1.00 0.00 H new ATOM 0 HA THR A 83 -12.167 -15.441 -3.700 1.00 0.00 H new ATOM 0 HB THR A 83 -12.229 -16.615 -1.531 1.00 0.00 H new ATOM 0 HG1 THR A 83 -10.360 -16.357 -0.117 1.00 0.00 H new ATOM 0 HG21 THR A 83 -10.231 -18.024 -1.821 1.00 0.00 H new ATOM 0 HG22 THR A 83 -10.996 -17.645 -3.383 1.00 0.00 H new ATOM 0 HG23 THR A 83 -9.518 -16.788 -2.885 1.00 0.00 H new ATOM 1294 N PRO A 84 -13.781 -14.146 -2.088 1.00 0.00 N ATOM 1295 CA PRO A 84 -14.655 -13.279 -1.296 1.00 0.00 C ATOM 1296 C PRO A 84 -14.171 -13.211 0.157 1.00 0.00 C ATOM 1297 O PRO A 84 -14.227 -12.163 0.777 1.00 0.00 O ATOM 1298 CB PRO A 84 -16.018 -13.964 -1.392 1.00 0.00 C ATOM 1299 CG PRO A 84 -15.971 -14.708 -2.681 1.00 0.00 C ATOM 1300 CD PRO A 84 -14.552 -15.161 -2.845 1.00 0.00 C ATOM 0 HA PRO A 84 -14.677 -12.249 -1.652 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -16.184 -14.637 -0.551 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -16.830 -13.236 -1.383 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -16.653 -15.558 -2.666 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -16.275 -14.070 -3.511 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -14.401 -16.163 -2.444 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -14.258 -15.190 -3.894 1.00 0.00 H new ATOM 1308 N GLU A 85 -13.663 -14.324 0.666 1.00 0.00 N ATOM 1309 CA GLU A 85 -13.090 -14.370 1.997 1.00 0.00 C ATOM 1310 C GLU A 85 -11.858 -13.501 2.141 1.00 0.00 C ATOM 1311 O GLU A 85 -11.699 -12.833 3.145 1.00 0.00 O ATOM 1312 CB GLU A 85 -12.774 -15.771 2.389 1.00 0.00 C ATOM 1313 CG GLU A 85 -13.976 -16.598 2.712 1.00 0.00 C ATOM 1314 CD GLU A 85 -13.602 -18.011 2.968 1.00 0.00 C ATOM 1315 OE1 GLU A 85 -13.246 -18.341 4.121 1.00 0.00 O ATOM 1316 OE2 GLU A 85 -13.634 -18.822 2.022 1.00 0.00 O ATOM 0 H GLU A 85 -13.638 -15.214 0.169 1.00 0.00 H new ATOM 0 HA GLU A 85 -13.847 -13.967 2.669 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -12.224 -16.249 1.578 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -12.113 -15.755 3.256 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -14.478 -16.188 3.588 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -14.686 -16.551 1.886 1.00 0.00 H new ATOM 1323 N ARG A 86 -10.980 -13.502 1.145 1.00 0.00 N ATOM 1324 CA ARG A 86 -9.803 -12.664 1.215 1.00 0.00 C ATOM 1325 C ARG A 86 -10.184 -11.229 1.256 1.00 0.00 C ATOM 1326 O ARG A 86 -9.576 -10.457 1.963 1.00 0.00 O ATOM 1327 CB ARG A 86 -8.773 -12.940 0.127 1.00 0.00 C ATOM 1328 CG ARG A 86 -7.898 -14.203 0.268 1.00 0.00 C ATOM 1329 CD ARG A 86 -7.082 -14.223 1.566 1.00 0.00 C ATOM 1330 NE ARG A 86 -7.952 -14.371 2.713 1.00 0.00 N ATOM 1331 CZ ARG A 86 -7.644 -14.164 3.983 1.00 0.00 C ATOM 1332 NH1 ARG A 86 -6.374 -14.015 4.378 1.00 0.00 N ATOM 1333 NH2 ARG A 86 -8.618 -14.102 4.868 1.00 0.00 N ATOM 0 H ARG A 86 -11.062 -14.064 0.298 1.00 0.00 H new ATOM 0 HA ARG A 86 -9.303 -12.925 2.148 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -9.300 -13.002 -0.825 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -8.109 -12.078 0.068 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -8.536 -15.086 0.232 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -7.219 -14.265 -0.583 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -6.365 -15.044 1.538 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -6.508 -13.301 1.655 1.00 0.00 H new ATOM 0 HE ARG A 86 -8.909 -14.668 2.521 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -5.619 -14.060 3.694 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -6.162 -13.856 5.363 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -9.587 -14.213 4.569 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -8.403 -13.943 5.852 1.00 0.00 H new ATOM 1347 N LEU A 87 -11.212 -10.903 0.535 1.00 0.00 N ATOM 1348 CA LEU A 87 -11.733 -9.577 0.520 1.00 0.00 C ATOM 1349 C LEU A 87 -12.358 -9.236 1.852 1.00 0.00 C ATOM 1350 O LEU A 87 -12.081 -8.194 2.419 1.00 0.00 O ATOM 1351 CB LEU A 87 -12.741 -9.423 -0.588 1.00 0.00 C ATOM 1352 CG LEU A 87 -12.276 -9.733 -1.983 1.00 0.00 C ATOM 1353 CD1 LEU A 87 -13.373 -9.419 -2.969 1.00 0.00 C ATOM 1354 CD2 LEU A 87 -11.044 -8.954 -2.297 1.00 0.00 C ATOM 0 H LEU A 87 -11.715 -11.558 -0.064 1.00 0.00 H new ATOM 0 HA LEU A 87 -10.910 -8.886 0.340 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -13.591 -10.067 -0.364 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -13.106 -8.396 -0.573 1.00 0.00 H new ATOM 0 HG LEU A 87 -12.037 -10.794 -2.055 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -13.031 -9.646 -3.979 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -14.252 -10.022 -2.740 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -13.631 -8.362 -2.902 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -10.715 -9.186 -3.310 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -11.258 -7.888 -2.220 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -10.257 -9.218 -1.591 1.00 0.00 H new ATOM 1366 N VAL A 88 -13.189 -10.118 2.342 1.00 0.00 N ATOM 1367 CA VAL A 88 -13.857 -9.937 3.572 1.00 0.00 C ATOM 1368 C VAL A 88 -12.960 -9.822 4.748 1.00 0.00 C ATOM 1369 O VAL A 88 -13.071 -8.855 5.500 1.00 0.00 O ATOM 1370 CB VAL A 88 -15.051 -10.895 3.713 1.00 0.00 C ATOM 1371 CG1 VAL A 88 -15.531 -10.865 5.104 1.00 0.00 C ATOM 1372 CG2 VAL A 88 -16.191 -10.633 2.777 1.00 0.00 C ATOM 0 H VAL A 88 -13.415 -10.996 1.875 1.00 0.00 H new ATOM 0 HA VAL A 88 -14.302 -8.942 3.553 1.00 0.00 H new ATOM 0 HB VAL A 88 -14.677 -11.881 3.438 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -16.378 -11.542 5.211 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -14.729 -11.178 5.772 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -15.842 -9.852 5.360 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -16.983 -11.361 2.955 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -16.577 -9.628 2.947 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -15.844 -10.719 1.747 1.00 0.00 H new ATOM 1382 N GLU A 89 -12.030 -10.722 4.888 1.00 0.00 N ATOM 1383 CA GLU A 89 -11.057 -10.576 5.938 1.00 0.00 C ATOM 1384 C GLU A 89 -10.189 -9.356 5.746 1.00 0.00 C ATOM 1385 O GLU A 89 -9.649 -8.800 6.701 1.00 0.00 O ATOM 1386 CB GLU A 89 -10.217 -11.784 6.118 1.00 0.00 C ATOM 1387 CG GLU A 89 -10.835 -12.889 6.930 1.00 0.00 C ATOM 1388 CD GLU A 89 -11.851 -13.715 6.192 1.00 0.00 C ATOM 1389 OE1 GLU A 89 -11.437 -14.643 5.443 1.00 0.00 O ATOM 1390 OE2 GLU A 89 -13.063 -13.502 6.381 1.00 0.00 O ATOM 0 H GLU A 89 -11.923 -11.550 4.302 1.00 0.00 H new ATOM 0 HA GLU A 89 -11.635 -10.442 6.852 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -9.963 -12.178 5.134 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -9.282 -11.487 6.593 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -10.042 -13.546 7.288 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -11.309 -12.454 7.810 1.00 0.00 H new ATOM 1397 N ALA A 90 -10.026 -8.958 4.529 1.00 0.00 N ATOM 1398 CA ALA A 90 -9.281 -7.726 4.246 1.00 0.00 C ATOM 1399 C ALA A 90 -10.058 -6.463 4.628 1.00 0.00 C ATOM 1400 O ALA A 90 -9.486 -5.582 5.260 1.00 0.00 O ATOM 1401 CB ALA A 90 -8.761 -7.657 2.849 1.00 0.00 C ATOM 0 H ALA A 90 -10.384 -9.444 3.707 1.00 0.00 H new ATOM 0 HA ALA A 90 -8.406 -7.767 4.894 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -8.221 -6.721 2.708 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -8.088 -8.495 2.669 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -9.594 -7.704 2.148 1.00 0.00 H new ATOM 1407 N GLU A 91 -11.358 -6.381 4.277 1.00 0.00 N ATOM 1408 CA GLU A 91 -12.202 -5.227 4.665 1.00 0.00 C ATOM 1409 C GLU A 91 -12.224 -4.929 6.144 1.00 0.00 C ATOM 1410 O GLU A 91 -12.566 -3.817 6.572 1.00 0.00 O ATOM 1411 CB GLU A 91 -13.609 -5.354 4.147 1.00 0.00 C ATOM 1412 CG GLU A 91 -13.802 -4.714 2.805 1.00 0.00 C ATOM 1413 CD GLU A 91 -13.772 -3.198 2.911 1.00 0.00 C ATOM 1414 OE1 GLU A 91 -12.694 -2.609 3.189 1.00 0.00 O ATOM 1415 OE2 GLU A 91 -14.845 -2.562 2.737 1.00 0.00 O ATOM 0 H GLU A 91 -11.845 -7.092 3.731 1.00 0.00 H new ATOM 0 HA GLU A 91 -11.717 -4.376 4.187 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -13.871 -6.410 4.080 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -14.295 -4.900 4.862 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -13.020 -5.049 2.123 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -14.754 -5.033 2.380 1.00 0.00 H new ATOM 1422 N LYS A 92 -11.934 -5.939 6.919 1.00 0.00 N ATOM 1423 CA LYS A 92 -11.757 -5.836 8.355 1.00 0.00 C ATOM 1424 C LYS A 92 -10.755 -4.737 8.686 1.00 0.00 C ATOM 1425 O LYS A 92 -11.019 -3.865 9.531 1.00 0.00 O ATOM 1426 CB LYS A 92 -11.248 -7.190 8.872 1.00 0.00 C ATOM 1427 CG LYS A 92 -12.324 -8.248 9.178 1.00 0.00 C ATOM 1428 CD LYS A 92 -13.563 -8.127 8.323 1.00 0.00 C ATOM 1429 CE LYS A 92 -14.477 -9.317 8.493 1.00 0.00 C ATOM 1430 NZ LYS A 92 -14.915 -9.512 9.890 1.00 0.00 N ATOM 0 H LYS A 92 -11.809 -6.887 6.565 1.00 0.00 H new ATOM 0 HA LYS A 92 -12.704 -5.583 8.832 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -10.562 -7.603 8.133 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -10.671 -7.015 9.780 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -11.894 -9.240 9.039 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -12.609 -8.169 10.227 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -14.099 -7.215 8.587 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -13.275 -8.036 7.276 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -15.353 -9.189 7.858 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -13.963 -10.215 8.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -15.642 -10.254 9.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -14.102 -9.796 10.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -15.310 -8.623 10.257 1.00 0.00 H new ATOM 1444 N SER A 93 -9.648 -4.746 7.988 1.00 0.00 N ATOM 1445 CA SER A 93 -8.606 -3.820 8.243 1.00 0.00 C ATOM 1446 C SER A 93 -8.026 -3.202 6.949 1.00 0.00 C ATOM 1447 O SER A 93 -8.383 -2.089 6.565 1.00 0.00 O ATOM 1448 CB SER A 93 -7.546 -4.493 9.067 1.00 0.00 C ATOM 1449 OG SER A 93 -8.087 -5.065 10.265 1.00 0.00 O ATOM 0 H SER A 93 -9.456 -5.401 7.230 1.00 0.00 H new ATOM 0 HA SER A 93 -9.019 -2.981 8.802 1.00 0.00 H new ATOM 0 HB2 SER A 93 -7.067 -5.273 8.476 1.00 0.00 H new ATOM 0 HB3 SER A 93 -6.773 -3.769 9.326 1.00 0.00 H new ATOM 0 HG SER A 93 -7.655 -4.659 11.045 1.00 0.00 H new ATOM 1455 N TYR A 94 -7.165 -3.948 6.291 1.00 0.00 N ATOM 1456 CA TYR A 94 -6.474 -3.553 5.061 1.00 0.00 C ATOM 1457 C TYR A 94 -5.775 -4.793 4.457 1.00 0.00 C ATOM 1458 O TYR A 94 -5.904 -5.918 4.980 1.00 0.00 O ATOM 1459 CB TYR A 94 -5.317 -2.523 5.308 1.00 0.00 C ATOM 1460 CG TYR A 94 -4.328 -2.680 6.414 1.00 0.00 C ATOM 1461 CD1 TYR A 94 -4.748 -2.759 7.706 1.00 0.00 C ATOM 1462 CD2 TYR A 94 -2.968 -2.623 6.164 1.00 0.00 C ATOM 1463 CE1 TYR A 94 -3.865 -2.789 8.745 1.00 0.00 C ATOM 1464 CE2 TYR A 94 -2.068 -2.668 7.191 1.00 0.00 C ATOM 1465 CZ TYR A 94 -2.518 -2.745 8.486 1.00 0.00 C ATOM 1466 OH TYR A 94 -1.618 -2.772 9.526 1.00 0.00 O ATOM 0 H TYR A 94 -6.910 -4.885 6.602 1.00 0.00 H new ATOM 0 HA TYR A 94 -7.236 -3.113 4.418 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -4.744 -2.469 4.382 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -5.789 -1.551 5.447 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -5.807 -2.799 7.914 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -2.614 -2.542 5.147 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -4.223 -2.847 9.762 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -1.008 -2.643 6.985 1.00 0.00 H new ATOM 0 HH TYR A 94 -0.706 -2.735 9.170 1.00 0.00 H new ATOM 1476 N PHE A 95 -5.036 -4.553 3.384 1.00 0.00 N ATOM 1477 CA PHE A 95 -4.093 -5.498 2.774 1.00 0.00 C ATOM 1478 C PHE A 95 -2.739 -4.844 2.817 1.00 0.00 C ATOM 1479 O PHE A 95 -2.664 -3.626 2.814 1.00 0.00 O ATOM 1480 CB PHE A 95 -4.384 -5.771 1.290 1.00 0.00 C ATOM 1481 CG PHE A 95 -5.296 -6.910 0.966 1.00 0.00 C ATOM 1482 CD1 PHE A 95 -5.026 -8.181 1.449 1.00 0.00 C ATOM 1483 CD2 PHE A 95 -6.393 -6.728 0.137 1.00 0.00 C ATOM 1484 CE1 PHE A 95 -5.840 -9.251 1.116 1.00 0.00 C ATOM 1485 CE2 PHE A 95 -7.205 -7.794 -0.209 1.00 0.00 C ATOM 1486 CZ PHE A 95 -6.929 -9.058 0.283 1.00 0.00 C ATOM 0 H PHE A 95 -5.073 -3.661 2.890 1.00 0.00 H new ATOM 0 HA PHE A 95 -4.164 -6.439 3.319 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -4.810 -4.865 0.858 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -3.433 -5.947 0.787 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -4.172 -8.338 2.091 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -6.616 -5.742 -0.243 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -5.625 -10.235 1.506 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -8.052 -7.640 -0.861 1.00 0.00 H new ATOM 0 HZ PHE A 95 -7.562 -9.892 0.018 1.00 0.00 H new ATOM 1496 N ILE A 96 -1.686 -5.609 2.883 1.00 0.00 N ATOM 1497 CA ILE A 96 -0.359 -5.025 2.808 1.00 0.00 C ATOM 1498 C ILE A 96 0.365 -5.524 1.548 1.00 0.00 C ATOM 1499 O ILE A 96 0.820 -6.648 1.493 1.00 0.00 O ATOM 1500 CB ILE A 96 0.501 -5.310 4.033 1.00 0.00 C ATOM 1501 CG1 ILE A 96 -0.245 -4.957 5.309 1.00 0.00 C ATOM 1502 CG2 ILE A 96 1.775 -4.491 3.947 1.00 0.00 C ATOM 1503 CD1 ILE A 96 0.597 -5.093 6.545 1.00 0.00 C ATOM 0 H ILE A 96 -1.709 -6.623 2.987 1.00 0.00 H new ATOM 0 HA ILE A 96 -0.503 -3.945 2.766 1.00 0.00 H new ATOM 0 HB ILE A 96 0.740 -6.373 4.056 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -0.610 -3.932 5.237 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -1.120 -5.601 5.401 1.00 0.00 H new ATOM 0 HG21 ILE A 96 2.395 -4.690 4.821 1.00 0.00 H new ATOM 0 HG22 ILE A 96 2.322 -4.763 3.044 1.00 0.00 H new ATOM 0 HG23 ILE A 96 1.524 -3.431 3.914 1.00 0.00 H new ATOM 0 HD11 ILE A 96 0.004 -4.826 7.420 1.00 0.00 H new ATOM 0 HD12 ILE A 96 0.941 -6.123 6.640 1.00 0.00 H new ATOM 0 HD13 ILE A 96 1.458 -4.429 6.474 1.00 0.00 H new ATOM 1515 N LEU A 97 0.399 -4.696 0.545 1.00 0.00 N ATOM 1516 CA LEU A 97 1.054 -4.990 -0.719 1.00 0.00 C ATOM 1517 C LEU A 97 2.552 -4.789 -0.538 1.00 0.00 C ATOM 1518 O LEU A 97 3.033 -3.673 -0.339 1.00 0.00 O ATOM 1519 CB LEU A 97 0.485 -4.015 -1.771 1.00 0.00 C ATOM 1520 CG LEU A 97 0.543 -4.372 -3.277 1.00 0.00 C ATOM 1521 CD1 LEU A 97 1.495 -3.495 -4.041 1.00 0.00 C ATOM 1522 CD2 LEU A 97 0.844 -5.837 -3.508 1.00 0.00 C ATOM 0 H LEU A 97 -0.035 -3.773 0.573 1.00 0.00 H new ATOM 0 HA LEU A 97 0.879 -6.015 -1.045 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -0.562 -3.844 -1.520 1.00 0.00 H new ATOM 0 HB3 LEU A 97 1.003 -3.064 -1.644 1.00 0.00 H new ATOM 0 HG LEU A 97 -0.456 -4.178 -3.668 1.00 0.00 H new ATOM 0 HD11 LEU A 97 1.497 -3.788 -5.091 1.00 0.00 H new ATOM 0 HD12 LEU A 97 1.180 -2.455 -3.955 1.00 0.00 H new ATOM 0 HD13 LEU A 97 2.499 -3.605 -3.632 1.00 0.00 H new ATOM 0 HD21 LEU A 97 0.874 -6.038 -4.579 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.809 -6.084 -3.065 1.00 0.00 H new ATOM 0 HD23 LEU A 97 0.066 -6.445 -3.047 1.00 0.00 H new ATOM 1534 N ARG A 98 3.270 -5.877 -0.543 1.00 0.00 N ATOM 1535 CA ARG A 98 4.697 -5.854 -0.277 1.00 0.00 C ATOM 1536 C ARG A 98 5.425 -6.583 -1.333 1.00 0.00 C ATOM 1537 O ARG A 98 4.822 -7.370 -2.088 1.00 0.00 O ATOM 1538 CB ARG A 98 4.997 -6.610 0.996 1.00 0.00 C ATOM 1539 CG ARG A 98 4.225 -6.169 2.176 1.00 0.00 C ATOM 1540 CD ARG A 98 4.493 -7.055 3.351 1.00 0.00 C ATOM 1541 NE ARG A 98 5.893 -7.030 3.772 1.00 0.00 N ATOM 1542 CZ ARG A 98 6.301 -7.080 5.032 1.00 0.00 C ATOM 1543 NH1 ARG A 98 5.409 -7.204 6.022 1.00 0.00 N ATOM 1544 NH2 ARG A 98 7.600 -7.047 5.306 1.00 0.00 N ATOM 0 H ARG A 98 2.892 -6.806 -0.730 1.00 0.00 H new ATOM 0 HA ARG A 98 4.998 -4.808 -0.219 1.00 0.00 H new ATOM 0 HB2 ARG A 98 4.802 -7.669 0.827 1.00 0.00 H new ATOM 0 HB3 ARG A 98 6.060 -6.513 1.218 1.00 0.00 H new ATOM 0 HG2 ARG A 98 4.488 -5.140 2.424 1.00 0.00 H new ATOM 0 HG3 ARG A 98 3.160 -6.179 1.943 1.00 0.00 H new ATOM 0 HD2 ARG A 98 3.862 -6.746 4.185 1.00 0.00 H new ATOM 0 HD3 ARG A 98 4.212 -8.078 3.101 1.00 0.00 H new ATOM 0 HE ARG A 98 6.606 -6.970 3.045 1.00 0.00 H new ATOM 0 HH11 ARG A 98 4.413 -7.260 5.807 1.00 0.00 H new ATOM 0 HH12 ARG A 98 5.725 -7.242 6.991 1.00 0.00 H new ATOM 0 HH21 ARG A 98 8.280 -6.983 4.548 1.00 0.00 H new ATOM 0 HH22 ARG A 98 7.918 -7.085 6.274 1.00 0.00 H new ATOM 1558 N MET A 99 6.715 -6.346 -1.399 1.00 0.00 N ATOM 1559 CA MET A 99 7.537 -7.136 -2.210 1.00 0.00 C ATOM 1560 C MET A 99 7.819 -8.404 -1.463 1.00 0.00 C ATOM 1561 O MET A 99 8.151 -8.377 -0.272 1.00 0.00 O ATOM 1562 CB MET A 99 8.855 -6.475 -2.558 1.00 0.00 C ATOM 1563 CG MET A 99 8.731 -5.224 -3.362 1.00 0.00 C ATOM 1564 SD MET A 99 10.215 -4.834 -4.300 1.00 0.00 S ATOM 1565 CE MET A 99 10.186 -6.185 -5.491 1.00 0.00 C ATOM 0 H MET A 99 7.195 -5.604 -0.890 1.00 0.00 H new ATOM 0 HA MET A 99 7.015 -7.308 -3.151 1.00 0.00 H new ATOM 0 HB2 MET A 99 9.386 -6.246 -1.634 1.00 0.00 H new ATOM 0 HB3 MET A 99 9.468 -7.187 -3.111 1.00 0.00 H new ATOM 0 HG2 MET A 99 7.891 -5.323 -4.049 1.00 0.00 H new ATOM 0 HG3 MET A 99 8.501 -4.393 -2.695 1.00 0.00 H new ATOM 0 HE1 MET A 99 10.681 -5.871 -6.410 1.00 0.00 H new ATOM 0 HE2 MET A 99 10.707 -7.048 -5.075 1.00 0.00 H new ATOM 0 HE3 MET A 99 9.153 -6.456 -5.709 1.00 0.00 H new ATOM 1575 N LYS A 100 7.655 -9.484 -2.124 1.00 0.00 N ATOM 1576 CA LYS A 100 7.905 -10.764 -1.569 1.00 0.00 C ATOM 1577 C LYS A 100 9.412 -10.963 -1.432 1.00 0.00 C ATOM 1578 O LYS A 100 10.195 -10.332 -2.188 1.00 0.00 O ATOM 1579 CB LYS A 100 7.325 -11.822 -2.476 1.00 0.00 C ATOM 1580 CG LYS A 100 5.845 -11.675 -2.764 1.00 0.00 C ATOM 1581 CD LYS A 100 5.344 -12.810 -3.646 1.00 0.00 C ATOM 1582 CE LYS A 100 5.288 -14.123 -2.881 1.00 0.00 C ATOM 1583 NZ LYS A 100 4.876 -15.257 -3.725 1.00 0.00 N ATOM 0 H LYS A 100 7.335 -9.508 -3.092 1.00 0.00 H new ATOM 0 HA LYS A 100 7.440 -10.842 -0.586 1.00 0.00 H new ATOM 0 HB2 LYS A 100 7.867 -11.806 -3.421 1.00 0.00 H new ATOM 0 HB3 LYS A 100 7.497 -12.800 -2.026 1.00 0.00 H new ATOM 0 HG2 LYS A 100 5.288 -11.665 -1.827 1.00 0.00 H new ATOM 0 HG3 LYS A 100 5.660 -10.720 -3.255 1.00 0.00 H new ATOM 0 HD2 LYS A 100 4.352 -12.566 -4.027 1.00 0.00 H new ATOM 0 HD3 LYS A 100 6.000 -12.918 -4.510 1.00 0.00 H new ATOM 0 HE2 LYS A 100 6.269 -14.331 -2.453 1.00 0.00 H new ATOM 0 HE3 LYS A 100 4.592 -14.024 -2.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 4.498 -16.017 -3.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 4.142 -14.945 -4.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 5.697 -15.611 -4.256 1.00 0.00 H new ATOM 1597 N PRO A 101 9.857 -11.797 -0.468 1.00 0.00 N ATOM 1598 CA PRO A 101 11.280 -12.094 -0.269 1.00 0.00 C ATOM 1599 C PRO A 101 11.915 -12.648 -1.546 1.00 0.00 C ATOM 1600 O PRO A 101 11.257 -13.326 -2.342 1.00 0.00 O ATOM 1601 CB PRO A 101 11.276 -13.155 0.839 1.00 0.00 C ATOM 1602 CG PRO A 101 10.002 -12.925 1.565 1.00 0.00 C ATOM 1603 CD PRO A 101 9.013 -12.510 0.518 1.00 0.00 C ATOM 0 HA PRO A 101 11.860 -11.208 -0.011 1.00 0.00 H new ATOM 0 HB2 PRO A 101 11.321 -14.162 0.425 1.00 0.00 H new ATOM 0 HB3 PRO A 101 12.136 -13.043 1.500 1.00 0.00 H new ATOM 0 HG2 PRO A 101 9.674 -13.829 2.078 1.00 0.00 H new ATOM 0 HG3 PRO A 101 10.117 -12.152 2.324 1.00 0.00 H new ATOM 0 HD2 PRO A 101 8.510 -13.369 0.074 1.00 0.00 H new ATOM 0 HD3 PRO A 101 8.237 -11.864 0.928 1.00 0.00 H new ATOM 1611 N HIS A 102 13.161 -12.340 -1.753 1.00 0.00 N ATOM 1612 CA HIS A 102 13.862 -12.746 -2.944 1.00 0.00 C ATOM 1613 C HIS A 102 15.271 -13.188 -2.631 1.00 0.00 C ATOM 1614 O HIS A 102 15.641 -13.300 -1.460 1.00 0.00 O ATOM 1615 CB HIS A 102 13.857 -11.638 -4.005 1.00 0.00 C ATOM 1616 CG HIS A 102 12.747 -11.754 -5.003 1.00 0.00 C ATOM 1617 ND1 HIS A 102 12.864 -12.481 -6.155 1.00 0.00 N ATOM 1618 CD2 HIS A 102 11.496 -11.253 -5.014 1.00 0.00 C ATOM 1619 CE1 HIS A 102 11.748 -12.435 -6.829 1.00 0.00 C ATOM 1620 NE2 HIS A 102 10.895 -11.695 -6.167 1.00 0.00 N ATOM 0 H HIS A 102 13.726 -11.798 -1.100 1.00 0.00 H new ATOM 0 HA HIS A 102 13.328 -13.602 -3.356 1.00 0.00 H new ATOM 0 HB2 HIS A 102 13.783 -10.672 -3.506 1.00 0.00 H new ATOM 0 HB3 HIS A 102 14.810 -11.652 -4.534 1.00 0.00 H new ATOM 0 HD1 HIS A 102 13.702 -12.986 -6.445 1.00 0.00 H new ATOM 0 HD2 HIS A 102 11.050 -10.623 -4.259 1.00 0.00 H new ATOM 0 HE1 HIS A 102 11.560 -12.924 -7.773 1.00 0.00 H new ATOM 1629 N ALA A 103 16.070 -13.416 -3.676 1.00 0.00 N ATOM 1630 CA ALA A 103 17.464 -13.881 -3.541 1.00 0.00 C ATOM 1631 C ALA A 103 18.379 -12.778 -3.097 1.00 0.00 C ATOM 1632 O ALA A 103 19.578 -12.957 -2.843 1.00 0.00 O ATOM 1633 CB ALA A 103 17.938 -14.475 -4.809 1.00 0.00 C ATOM 0 H ALA A 103 15.774 -13.285 -4.643 1.00 0.00 H new ATOM 0 HA ALA A 103 17.481 -14.649 -2.767 1.00 0.00 H new ATOM 0 HB1 ALA A 103 18.968 -14.812 -4.690 1.00 0.00 H new ATOM 0 HB2 ALA A 103 17.306 -15.324 -5.072 1.00 0.00 H new ATOM 0 HB3 ALA A 103 17.890 -13.728 -5.601 1.00 0.00 H new ATOM 1639 N ILE A 104 17.790 -11.687 -3.028 1.00 0.00 N ATOM 1640 CA ILE A 104 18.325 -10.474 -2.570 1.00 0.00 C ATOM 1641 C ILE A 104 18.728 -10.632 -1.102 1.00 0.00 C ATOM 1642 O ILE A 104 17.987 -11.236 -0.314 1.00 0.00 O ATOM 1643 CB ILE A 104 17.250 -9.409 -2.717 1.00 0.00 C ATOM 1644 CG1 ILE A 104 16.926 -9.144 -4.194 1.00 0.00 C ATOM 1645 CG2 ILE A 104 17.597 -8.156 -1.978 1.00 0.00 C ATOM 1646 CD1 ILE A 104 15.794 -8.163 -4.423 1.00 0.00 C ATOM 0 H ILE A 104 16.817 -11.590 -3.317 1.00 0.00 H new ATOM 0 HA ILE A 104 19.207 -10.188 -3.143 1.00 0.00 H new ATOM 0 HB ILE A 104 16.342 -9.796 -2.254 1.00 0.00 H new ATOM 0 HG12 ILE A 104 17.822 -8.767 -4.687 1.00 0.00 H new ATOM 0 HG13 ILE A 104 16.673 -10.090 -4.673 1.00 0.00 H new ATOM 0 HG21 ILE A 104 16.801 -7.423 -2.111 1.00 0.00 H new ATOM 0 HG22 ILE A 104 17.712 -8.379 -0.917 1.00 0.00 H new ATOM 0 HG23 ILE A 104 18.532 -7.751 -2.367 1.00 0.00 H new ATOM 0 HD11 ILE A 104 15.634 -8.036 -5.494 1.00 0.00 H new ATOM 0 HD12 ILE A 104 14.883 -8.545 -3.963 1.00 0.00 H new ATOM 0 HD13 ILE A 104 16.050 -7.202 -3.978 1.00 0.00 H new ATOM 1658 N ALA A 105 19.890 -10.161 -0.755 1.00 0.00 N ATOM 1659 CA ALA A 105 20.366 -10.284 0.595 1.00 0.00 C ATOM 1660 C ALA A 105 20.109 -9.009 1.360 1.00 0.00 C ATOM 1661 O ALA A 105 20.154 -7.914 0.795 1.00 0.00 O ATOM 1662 CB ALA A 105 21.839 -10.634 0.610 1.00 0.00 C ATOM 0 H ALA A 105 20.530 -9.685 -1.391 1.00 0.00 H new ATOM 0 HA ALA A 105 19.822 -11.092 1.083 1.00 0.00 H new ATOM 0 HB1 ALA A 105 22.181 -10.723 1.641 1.00 0.00 H new ATOM 0 HB2 ALA A 105 21.993 -11.581 0.093 1.00 0.00 H new ATOM 0 HB3 ALA A 105 22.404 -9.850 0.106 1.00 0.00 H new ATOM 1668 N ASP A 106 19.843 -9.157 2.624 1.00 0.00 N ATOM 1669 CA ASP A 106 19.577 -8.068 3.515 1.00 0.00 C ATOM 1670 C ASP A 106 20.402 -8.263 4.754 1.00 0.00 C ATOM 1671 O ASP A 106 20.040 -9.016 5.663 1.00 0.00 O ATOM 1672 CB ASP A 106 18.087 -7.953 3.850 1.00 0.00 C ATOM 1673 CG ASP A 106 17.803 -6.892 4.892 1.00 0.00 C ATOM 1674 OD1 ASP A 106 18.146 -5.717 4.682 1.00 0.00 O ATOM 1675 OD2 ASP A 106 17.236 -7.227 5.951 1.00 0.00 O ATOM 0 H ASP A 106 19.804 -10.070 3.078 1.00 0.00 H new ATOM 0 HA ASP A 106 19.850 -7.131 3.030 1.00 0.00 H new ATOM 0 HB2 ASP A 106 17.531 -7.722 2.941 1.00 0.00 H new ATOM 0 HB3 ASP A 106 17.724 -8.916 4.209 1.00 0.00 H new ATOM 1680 N ARG A 107 21.556 -7.683 4.713 1.00 0.00 N ATOM 1681 CA ARG A 107 22.553 -7.776 5.773 1.00 0.00 C ATOM 1682 C ARG A 107 22.069 -7.079 7.014 1.00 0.00 C ATOM 1683 O ARG A 107 21.794 -5.876 6.956 1.00 0.00 O ATOM 1684 CB ARG A 107 23.934 -7.206 5.363 1.00 0.00 C ATOM 1685 CG ARG A 107 24.642 -7.902 4.203 1.00 0.00 C ATOM 1686 CD ARG A 107 24.015 -7.564 2.863 1.00 0.00 C ATOM 1687 NE ARG A 107 24.692 -8.200 1.746 1.00 0.00 N ATOM 1688 CZ ARG A 107 24.363 -8.029 0.461 1.00 0.00 C ATOM 1689 NH1 ARG A 107 23.382 -7.191 0.117 1.00 0.00 N ATOM 1690 NH2 ARG A 107 25.020 -8.687 -0.473 1.00 0.00 N ATOM 1691 OXT ARG A 107 21.991 -7.716 8.066 1.00 0.00 O ATOM 0 H ARG A 107 21.858 -7.110 3.925 1.00 0.00 H new ATOM 0 HA ARG A 107 22.689 -8.839 5.970 1.00 0.00 H new ATOM 0 HB2 ARG A 107 23.806 -6.155 5.103 1.00 0.00 H new ATOM 0 HB3 ARG A 107 24.589 -7.241 6.233 1.00 0.00 H new ATOM 0 HG2 ARG A 107 25.693 -7.612 4.194 1.00 0.00 H new ATOM 0 HG3 ARG A 107 24.611 -8.981 4.355 1.00 0.00 H new ATOM 0 HD2 ARG A 107 22.969 -7.870 2.869 1.00 0.00 H new ATOM 0 HD3 ARG A 107 24.030 -6.483 2.723 1.00 0.00 H new ATOM 0 HE ARG A 107 25.473 -8.821 1.957 1.00 0.00 H new ATOM 0 HH11 ARG A 107 22.876 -6.675 0.837 1.00 0.00 H new ATOM 0 HH12 ARG A 107 23.138 -7.067 -0.866 1.00 0.00 H new ATOM 0 HH21 ARG A 107 25.775 -9.322 -0.214 1.00 0.00 H new ATOM 0 HH22 ARG A 107 24.774 -8.561 -1.455 1.00 0.00 H new TER 1705 ARG A 107