USER MOD reduce.3.24.130724 H: found=0, std=0, add=847, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 845 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 43 LYS NZ :NH3+ -137:sc= 2.22 (180deg=0.659) USER MOD Set 1.2: A 87 TYR OH : rot 130:sc= -0.0184 USER MOD Single : A 1 ASP N :NH3+ 134:sc= 1.47 (180deg=0.55) USER MOD Single : A 9 MET CE :methyl -116:sc= -0.0304 (180deg=-0.956) USER MOD Single : A 12 GLN : amide:sc= 0.7 K(o=0.7,f=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0.0238 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0.0109 USER MOD Single : A 35 LYS NZ :NH3+ -170:sc=-0.00366 (180deg=-0.0973) USER MOD Single : A 40 LYS NZ :NH3+ -130:sc= 0.527 (180deg=-0.469) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0.00364 USER MOD Single : A 51 SER OG : rot 120:sc= 1.27 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -6.05! K(o=-6.1!,f=-1.2) USER MOD Single : A 56 HIS : no HD1:sc= -0.331 X(o=-0.33,f=-0.34) USER MOD Single : A 58 GLN : amide:sc= -2.1 K(o=-2.1,f=-1.4) USER MOD Single : A 60 HIS : no HE2:sc= -0.366 X(o=-0.37,f=-0.52) USER MOD Single : A 62 SER OG : rot 69:sc= 0.518 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= -0.377 USER MOD Single : A 68 LYS NZ :NH3+ 151:sc= 1.22 (180deg=1.12) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 HIS : no HD1:sc= -0.127 K(o=-0.13,f=-3!) USER MOD Single : A 77 THR OG1 : rot 76:sc= 0.622 USER MOD Single : A 80 GLN : amide:sc= -4.14! C(o=-4.1!,f=-1.7!) USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.938 USER MOD Single : A 89 CYS SG : rot 95:sc= -1.59! USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot -41:sc= -3.55 USER MOD Single : A 94 LYS NZ :NH3+ -147:sc= -6.97! (180deg=-8.45!) USER MOD Single : A 96 LYS NZ :NH3+ -179:sc= 0.87 (180deg=0.867) USER MOD Single : A 99 CYS SG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 134:sc= -4.15! USER MOD Single : A 101 ASN : amide:sc= -3.17! K(o=-3.2!,f=-0.13) USER MOD Single : A 103 ASN : amide:sc= -1.61 K(o=-1.6,f=-4.4!) USER MOD Single : A 105 THR OG1 : rot 164:sc= 0.716 USER MOD Single : A 107 HIS : no HD1:sc= -1.84 K(o=-1.8,f=-5.9!) USER MOD Single : A 110 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -18.878 -11.281 0.425 1.00 0.92 N ATOM 2 CA ASP A 1 -18.539 -10.042 -0.328 1.00 0.81 C ATOM 3 C ASP A 1 -19.706 -9.533 -1.151 1.00 0.80 C ATOM 4 O ASP A 1 -20.196 -10.212 -2.044 1.00 0.99 O ATOM 5 CB ASP A 1 -17.315 -10.206 -1.245 1.00 0.90 C ATOM 6 CG ASP A 1 -16.179 -10.984 -0.625 1.00 1.34 C ATOM 7 OD1 ASP A 1 -16.347 -12.195 -0.396 1.00 1.68 O ATOM 8 OD2 ASP A 1 -15.134 -10.372 -0.342 1.00 1.93 O ATOM 0 H1 ASP A 1 -18.112 -11.976 0.313 1.00 0.92 H new ATOM 0 H2 ASP A 1 -18.994 -11.054 1.433 1.00 0.92 H new ATOM 0 H3 ASP A 1 -19.765 -11.680 0.056 1.00 0.92 H new ATOM 0 HA ASP A 1 -18.294 -9.310 0.441 1.00 0.81 H new ATOM 0 HB2 ASP A 1 -17.626 -10.707 -2.162 1.00 0.90 H new ATOM 0 HB3 ASP A 1 -16.952 -9.218 -1.529 1.00 0.90 H new ATOM 13 N ASP A 2 -20.133 -8.325 -0.842 1.00 0.70 N ATOM 14 CA ASP A 2 -21.159 -7.645 -1.581 1.00 0.72 C ATOM 15 C ASP A 2 -20.563 -6.974 -2.819 1.00 0.70 C ATOM 16 O ASP A 2 -19.336 -6.968 -2.988 1.00 0.75 O ATOM 17 CB ASP A 2 -21.730 -6.593 -0.661 1.00 0.79 C ATOM 18 CG ASP A 2 -22.672 -7.139 0.391 1.00 1.04 C ATOM 19 OD1 ASP A 2 -23.701 -7.722 -0.006 1.00 1.11 O ATOM 20 OD2 ASP A 2 -22.381 -7.001 1.590 1.00 1.65 O ATOM 0 H ASP A 2 -19.767 -7.786 -0.057 1.00 0.70 H new ATOM 0 HA ASP A 2 -21.926 -8.344 -1.913 1.00 0.72 H new ATOM 0 HB2 ASP A 2 -20.909 -6.075 -0.165 1.00 0.79 H new ATOM 0 HB3 ASP A 2 -22.260 -5.852 -1.259 1.00 0.79 H new ATOM 25 N PRO A 3 -21.404 -6.392 -3.691 1.00 0.71 N ATOM 26 CA PRO A 3 -20.932 -5.620 -4.844 1.00 0.72 C ATOM 27 C PRO A 3 -20.263 -4.308 -4.431 1.00 0.66 C ATOM 28 O PRO A 3 -20.905 -3.263 -4.317 1.00 0.97 O ATOM 29 CB PRO A 3 -22.202 -5.339 -5.661 1.00 0.84 C ATOM 30 CG PRO A 3 -23.259 -6.219 -5.083 1.00 0.94 C ATOM 31 CD PRO A 3 -22.873 -6.458 -3.652 1.00 0.81 C ATOM 0 HA PRO A 3 -20.174 -6.168 -5.403 1.00 0.72 H new ATOM 0 HB2 PRO A 3 -22.487 -4.289 -5.593 1.00 0.84 H new ATOM 0 HB3 PRO A 3 -22.044 -5.559 -6.717 1.00 0.84 H new ATOM 0 HG2 PRO A 3 -24.238 -5.744 -5.147 1.00 0.94 H new ATOM 0 HG3 PRO A 3 -23.324 -7.159 -5.630 1.00 0.94 H new ATOM 0 HD2 PRO A 3 -23.294 -5.702 -2.989 1.00 0.81 H new ATOM 0 HD3 PRO A 3 -23.224 -7.426 -3.295 1.00 0.81 H new ATOM 39 N ILE A 4 -18.971 -4.389 -4.156 1.00 0.45 N ATOM 40 CA ILE A 4 -18.174 -3.217 -3.827 1.00 0.41 C ATOM 41 C ILE A 4 -17.108 -3.016 -4.886 1.00 0.41 C ATOM 42 O ILE A 4 -17.058 -1.985 -5.552 1.00 0.50 O ATOM 43 CB ILE A 4 -17.504 -3.351 -2.433 1.00 0.36 C ATOM 44 CG1 ILE A 4 -18.476 -2.969 -1.317 1.00 0.42 C ATOM 45 CG2 ILE A 4 -16.239 -2.506 -2.330 1.00 0.33 C ATOM 46 CD1 ILE A 4 -19.589 -3.959 -1.128 1.00 0.46 C ATOM 0 H ILE A 4 -18.447 -5.264 -4.154 1.00 0.45 H new ATOM 0 HA ILE A 4 -18.840 -2.355 -3.797 1.00 0.41 H new ATOM 0 HB ILE A 4 -17.224 -4.398 -2.315 1.00 0.36 H new ATOM 0 HG12 ILE A 4 -17.924 -2.872 -0.382 1.00 0.42 H new ATOM 0 HG13 ILE A 4 -18.904 -1.991 -1.537 1.00 0.42 H new ATOM 0 HG21 ILE A 4 -15.800 -2.627 -1.340 1.00 0.33 H new ATOM 0 HG22 ILE A 4 -15.523 -2.829 -3.086 1.00 0.33 H new ATOM 0 HG23 ILE A 4 -16.488 -1.457 -2.491 1.00 0.33 H new ATOM 0 HD11 ILE A 4 -20.240 -3.625 -0.320 1.00 0.46 H new ATOM 0 HD12 ILE A 4 -20.165 -4.039 -2.050 1.00 0.46 H new ATOM 0 HD13 ILE A 4 -19.170 -4.933 -0.877 1.00 0.46 H new ATOM 58 N GLY A 5 -16.253 -4.016 -5.027 1.00 0.36 N ATOM 59 CA GLY A 5 -15.148 -3.901 -5.952 1.00 0.39 C ATOM 60 C GLY A 5 -14.007 -3.256 -5.246 1.00 0.33 C ATOM 61 O GLY A 5 -13.351 -2.350 -5.749 1.00 0.33 O ATOM 0 H GLY A 5 -16.304 -4.900 -4.521 1.00 0.36 H new ATOM 0 HA2 GLY A 5 -14.858 -4.885 -6.320 1.00 0.39 H new ATOM 0 HA3 GLY A 5 -15.440 -3.309 -6.820 1.00 0.39 H new ATOM 65 N LEU A 6 -13.815 -3.753 -4.050 1.00 0.32 N ATOM 66 CA LEU A 6 -12.944 -3.170 -3.064 1.00 0.29 C ATOM 67 C LEU A 6 -11.547 -2.950 -3.605 1.00 0.29 C ATOM 68 O LEU A 6 -10.961 -1.886 -3.435 1.00 0.33 O ATOM 69 CB LEU A 6 -12.923 -4.117 -1.879 1.00 0.29 C ATOM 70 CG LEU A 6 -12.572 -3.500 -0.544 1.00 0.27 C ATOM 71 CD1 LEU A 6 -13.476 -2.321 -0.231 1.00 0.31 C ATOM 72 CD2 LEU A 6 -12.680 -4.550 0.525 1.00 0.28 C ATOM 0 H LEU A 6 -14.277 -4.603 -3.726 1.00 0.32 H new ATOM 0 HA LEU A 6 -13.313 -2.186 -2.773 1.00 0.29 H new ATOM 0 HB2 LEU A 6 -13.905 -4.583 -1.795 1.00 0.29 H new ATOM 0 HB3 LEU A 6 -12.209 -4.913 -2.088 1.00 0.29 H new ATOM 0 HG LEU A 6 -11.550 -3.124 -0.584 1.00 0.27 H new ATOM 0 HD11 LEU A 6 -13.200 -1.897 0.735 1.00 0.31 H new ATOM 0 HD12 LEU A 6 -13.365 -1.562 -1.005 1.00 0.31 H new ATOM 0 HD13 LEU A 6 -14.513 -2.656 -0.198 1.00 0.31 H new ATOM 0 HD21 LEU A 6 -12.428 -4.113 1.491 1.00 0.28 H new ATOM 0 HD22 LEU A 6 -13.699 -4.935 0.555 1.00 0.28 H new ATOM 0 HD23 LEU A 6 -11.991 -5.365 0.305 1.00 0.28 H new ATOM 84 N PHE A 7 -11.032 -3.950 -4.281 1.00 0.30 N ATOM 85 CA PHE A 7 -9.693 -3.885 -4.799 1.00 0.32 C ATOM 86 C PHE A 7 -9.723 -3.433 -6.247 1.00 0.29 C ATOM 87 O PHE A 7 -9.751 -4.243 -7.175 1.00 0.32 O ATOM 88 CB PHE A 7 -9.021 -5.237 -4.645 1.00 0.41 C ATOM 89 CG PHE A 7 -7.684 -5.170 -3.968 1.00 0.45 C ATOM 90 CD1 PHE A 7 -7.511 -4.422 -2.814 1.00 0.62 C ATOM 91 CD2 PHE A 7 -6.607 -5.863 -4.478 1.00 0.64 C ATOM 92 CE1 PHE A 7 -6.283 -4.370 -2.184 1.00 0.67 C ATOM 93 CE2 PHE A 7 -5.381 -5.813 -3.857 1.00 0.72 C ATOM 94 CZ PHE A 7 -5.217 -5.067 -2.709 1.00 0.61 C ATOM 0 H PHE A 7 -11.525 -4.820 -4.484 1.00 0.30 H new ATOM 0 HA PHE A 7 -9.111 -3.155 -4.236 1.00 0.32 H new ATOM 0 HB2 PHE A 7 -9.675 -5.896 -4.074 1.00 0.41 H new ATOM 0 HB3 PHE A 7 -8.898 -5.686 -5.630 1.00 0.41 H new ATOM 0 HD1 PHE A 7 -8.346 -3.874 -2.403 1.00 0.62 H new ATOM 0 HD2 PHE A 7 -6.727 -6.452 -5.375 1.00 0.64 H new ATOM 0 HE1 PHE A 7 -6.159 -3.786 -1.284 1.00 0.67 H new ATOM 0 HE2 PHE A 7 -4.545 -6.359 -4.269 1.00 0.72 H new ATOM 0 HZ PHE A 7 -4.254 -5.029 -2.222 1.00 0.61 H new ATOM 104 N VAL A 8 -9.761 -2.124 -6.403 1.00 0.28 N ATOM 105 CA VAL A 8 -9.850 -1.482 -7.703 1.00 0.34 C ATOM 106 C VAL A 8 -8.528 -1.599 -8.453 1.00 0.44 C ATOM 107 O VAL A 8 -8.499 -1.832 -9.661 1.00 0.63 O ATOM 108 CB VAL A 8 -10.227 0.005 -7.540 1.00 0.32 C ATOM 109 CG1 VAL A 8 -10.513 0.659 -8.885 1.00 0.41 C ATOM 110 CG2 VAL A 8 -11.425 0.137 -6.610 1.00 0.33 C ATOM 0 H VAL A 8 -9.731 -1.468 -5.623 1.00 0.28 H new ATOM 0 HA VAL A 8 -10.625 -1.987 -8.279 1.00 0.34 H new ATOM 0 HB VAL A 8 -9.377 0.526 -7.100 1.00 0.32 H new ATOM 0 HG11 VAL A 8 -10.775 1.706 -8.732 1.00 0.41 H new ATOM 0 HG12 VAL A 8 -9.627 0.595 -9.516 1.00 0.41 H new ATOM 0 HG13 VAL A 8 -11.342 0.145 -9.371 1.00 0.41 H new ATOM 0 HG21 VAL A 8 -11.686 1.190 -6.500 1.00 0.33 H new ATOM 0 HG22 VAL A 8 -12.273 -0.405 -7.030 1.00 0.33 H new ATOM 0 HG23 VAL A 8 -11.176 -0.279 -5.634 1.00 0.33 H new ATOM 120 N MET A 9 -7.434 -1.430 -7.727 1.00 0.43 N ATOM 121 CA MET A 9 -6.109 -1.611 -8.293 1.00 0.65 C ATOM 122 C MET A 9 -5.108 -1.902 -7.196 1.00 0.44 C ATOM 123 O MET A 9 -5.065 -1.215 -6.174 1.00 0.44 O ATOM 124 CB MET A 9 -5.659 -0.392 -9.086 1.00 1.05 C ATOM 125 CG MET A 9 -4.352 -0.611 -9.831 1.00 1.45 C ATOM 126 SD MET A 9 -3.826 0.837 -10.769 1.00 2.35 S ATOM 127 CE MET A 9 -5.007 0.816 -12.121 1.00 2.88 C ATOM 0 H MET A 9 -7.439 -1.167 -6.742 1.00 0.43 H new ATOM 0 HA MET A 9 -6.161 -2.457 -8.978 1.00 0.65 H new ATOM 0 HB2 MET A 9 -6.437 -0.124 -9.801 1.00 1.05 H new ATOM 0 HB3 MET A 9 -5.546 0.453 -8.407 1.00 1.05 H new ATOM 0 HG2 MET A 9 -3.573 -0.877 -9.117 1.00 1.45 H new ATOM 0 HG3 MET A 9 -4.464 -1.456 -10.510 1.00 1.45 H new ATOM 0 HE1 MET A 9 -4.481 0.653 -13.061 1.00 2.88 H new ATOM 0 HE2 MET A 9 -5.726 0.012 -11.963 1.00 2.88 H new ATOM 0 HE3 MET A 9 -5.532 1.770 -12.160 1.00 2.88 H new ATOM 137 N ARG A 10 -4.315 -2.922 -7.424 1.00 0.47 N ATOM 138 CA ARG A 10 -3.319 -3.355 -6.468 1.00 0.41 C ATOM 139 C ARG A 10 -1.937 -2.903 -6.920 1.00 0.39 C ATOM 140 O ARG A 10 -1.627 -2.953 -8.112 1.00 0.45 O ATOM 141 CB ARG A 10 -3.371 -4.883 -6.313 1.00 0.46 C ATOM 142 CG ARG A 10 -3.215 -5.650 -7.617 1.00 0.97 C ATOM 143 CD ARG A 10 -3.418 -7.149 -7.419 1.00 1.34 C ATOM 144 NE ARG A 10 -4.813 -7.490 -7.108 1.00 2.11 N ATOM 145 CZ ARG A 10 -5.181 -8.361 -6.163 1.00 2.72 C ATOM 146 NH1 ARG A 10 -4.261 -9.001 -5.451 1.00 2.74 N ATOM 147 NH2 ARG A 10 -6.471 -8.598 -5.937 1.00 3.67 N ATOM 0 H ARG A 10 -4.341 -3.477 -8.279 1.00 0.47 H new ATOM 0 HA ARG A 10 -3.529 -2.904 -5.498 1.00 0.41 H new ATOM 0 HB2 ARG A 10 -2.584 -5.194 -5.626 1.00 0.46 H new ATOM 0 HB3 ARG A 10 -4.321 -5.158 -5.855 1.00 0.46 H new ATOM 0 HG2 ARG A 10 -3.935 -5.279 -8.346 1.00 0.97 H new ATOM 0 HG3 ARG A 10 -2.222 -5.469 -8.029 1.00 0.97 H new ATOM 0 HD2 ARG A 10 -3.111 -7.677 -8.322 1.00 1.34 H new ATOM 0 HD3 ARG A 10 -2.773 -7.496 -6.612 1.00 1.34 H new ATOM 0 HE ARG A 10 -5.548 -7.033 -7.648 1.00 2.11 H new ATOM 0 HH11 ARG A 10 -3.271 -8.829 -5.624 1.00 2.74 H new ATOM 0 HH12 ARG A 10 -4.544 -9.665 -4.731 1.00 2.74 H new ATOM 0 HH21 ARG A 10 -7.182 -8.114 -6.486 1.00 3.67 H new ATOM 0 HH22 ARG A 10 -6.749 -9.263 -5.215 1.00 3.67 H new ATOM 161 N PRO A 11 -1.086 -2.435 -5.990 1.00 0.43 N ATOM 162 CA PRO A 11 0.249 -1.995 -6.342 1.00 0.50 C ATOM 163 C PRO A 11 1.161 -3.178 -6.616 1.00 0.47 C ATOM 164 O PRO A 11 0.830 -4.321 -6.290 1.00 0.54 O ATOM 165 CB PRO A 11 0.730 -1.194 -5.134 1.00 0.62 C ATOM 166 CG PRO A 11 -0.147 -1.574 -3.997 1.00 0.64 C ATOM 167 CD PRO A 11 -1.352 -2.309 -4.547 1.00 0.53 C ATOM 0 HA PRO A 11 0.255 -1.398 -7.254 1.00 0.50 H new ATOM 0 HB2 PRO A 11 1.773 -1.418 -4.911 1.00 0.62 H new ATOM 0 HB3 PRO A 11 0.669 -0.123 -5.330 1.00 0.62 H new ATOM 0 HG2 PRO A 11 0.395 -2.207 -3.295 1.00 0.64 H new ATOM 0 HG3 PRO A 11 -0.462 -0.687 -3.448 1.00 0.64 H new ATOM 0 HD2 PRO A 11 -1.467 -3.286 -4.079 1.00 0.53 H new ATOM 0 HD3 PRO A 11 -2.272 -1.756 -4.361 1.00 0.53 H new ATOM 175 N GLN A 12 2.293 -2.905 -7.228 1.00 0.44 N ATOM 176 CA GLN A 12 3.179 -3.947 -7.681 1.00 0.43 C ATOM 177 C GLN A 12 4.548 -3.774 -7.070 1.00 0.37 C ATOM 178 O GLN A 12 4.751 -2.871 -6.263 1.00 0.40 O ATOM 179 CB GLN A 12 3.245 -3.879 -9.195 1.00 0.55 C ATOM 180 CG GLN A 12 1.868 -3.995 -9.817 1.00 0.73 C ATOM 181 CD GLN A 12 1.326 -5.419 -9.791 1.00 1.06 C ATOM 182 OE1 GLN A 12 1.480 -6.163 -10.759 1.00 1.43 O ATOM 183 NE2 GLN A 12 0.720 -5.828 -8.676 1.00 1.32 N ATOM 0 H GLN A 12 2.621 -1.959 -7.423 1.00 0.44 H new ATOM 0 HA GLN A 12 2.807 -4.924 -7.372 1.00 0.43 H new ATOM 0 HB2 GLN A 12 3.704 -2.938 -9.498 1.00 0.55 H new ATOM 0 HB3 GLN A 12 3.883 -4.680 -9.569 1.00 0.55 H new ATOM 0 HG2 GLN A 12 1.178 -3.339 -9.286 1.00 0.73 H new ATOM 0 HG3 GLN A 12 1.910 -3.646 -10.849 1.00 0.73 H new ATOM 0 HE21 GLN A 12 0.608 -5.186 -7.891 1.00 1.32 H new ATOM 0 HE22 GLN A 12 0.368 -6.783 -8.608 1.00 1.32 H new ATOM 192 N ASP A 13 5.469 -4.642 -7.446 1.00 0.34 N ATOM 193 CA ASP A 13 6.783 -4.652 -6.947 1.00 0.33 C ATOM 194 C ASP A 13 7.561 -3.437 -7.397 1.00 0.36 C ATOM 195 O ASP A 13 7.026 -2.362 -7.681 1.00 0.50 O ATOM 196 CB ASP A 13 7.450 -5.908 -7.498 1.00 0.35 C ATOM 197 CG ASP A 13 7.292 -6.045 -9.004 1.00 1.04 C ATOM 198 OD1 ASP A 13 6.193 -6.427 -9.459 1.00 1.03 O ATOM 199 OD2 ASP A 13 8.264 -5.771 -9.740 1.00 2.06 O ATOM 0 H ASP A 13 5.291 -5.375 -8.133 1.00 0.34 H new ATOM 0 HA ASP A 13 6.764 -4.639 -5.857 1.00 0.33 H new ATOM 0 HB2 ASP A 13 8.511 -5.890 -7.248 1.00 0.35 H new ATOM 0 HB3 ASP A 13 7.023 -6.785 -7.011 1.00 0.35 H new ATOM 204 N GLY A 14 8.827 -3.666 -7.504 1.00 0.30 N ATOM 205 CA GLY A 14 9.756 -2.629 -7.846 1.00 0.30 C ATOM 206 C GLY A 14 11.127 -2.901 -7.306 1.00 0.25 C ATOM 207 O GLY A 14 11.312 -3.229 -6.137 1.00 0.28 O ATOM 0 H GLY A 14 9.254 -4.581 -7.357 1.00 0.30 H new ATOM 0 HA2 GLY A 14 9.807 -2.531 -8.930 1.00 0.30 H new ATOM 0 HA3 GLY A 14 9.396 -1.677 -7.457 1.00 0.30 H new ATOM 211 N GLU A 15 12.079 -2.762 -8.173 1.00 0.26 N ATOM 212 CA GLU A 15 13.470 -2.888 -7.811 1.00 0.25 C ATOM 213 C GLU A 15 14.111 -1.527 -7.902 1.00 0.23 C ATOM 214 O GLU A 15 14.263 -0.974 -8.987 1.00 0.30 O ATOM 215 CB GLU A 15 14.200 -3.880 -8.712 1.00 0.33 C ATOM 216 CG GLU A 15 13.701 -5.307 -8.587 1.00 0.69 C ATOM 217 CD GLU A 15 14.825 -6.309 -8.726 1.00 1.11 C ATOM 218 OE1 GLU A 15 15.763 -6.052 -9.504 1.00 1.53 O ATOM 219 OE2 GLU A 15 14.752 -7.377 -8.084 1.00 1.48 O ATOM 0 H GLU A 15 11.921 -2.557 -9.160 1.00 0.26 H new ATOM 0 HA GLU A 15 13.538 -3.272 -6.793 1.00 0.25 H new ATOM 0 HB2 GLU A 15 14.096 -3.559 -9.748 1.00 0.33 H new ATOM 0 HB3 GLU A 15 15.264 -3.856 -8.476 1.00 0.33 H new ATOM 0 HG2 GLU A 15 13.214 -5.439 -7.621 1.00 0.69 H new ATOM 0 HG3 GLU A 15 12.948 -5.497 -9.352 1.00 0.69 H new ATOM 226 N VAL A 16 14.467 -0.982 -6.762 1.00 0.20 N ATOM 227 CA VAL A 16 14.927 0.345 -6.674 1.00 0.21 C ATOM 228 C VAL A 16 16.200 0.332 -5.881 1.00 0.22 C ATOM 229 O VAL A 16 16.359 -0.433 -4.943 1.00 0.27 O ATOM 230 CB VAL A 16 13.886 1.260 -6.008 1.00 0.22 C ATOM 231 CG1 VAL A 16 12.498 0.971 -6.553 1.00 0.25 C ATOM 232 CG2 VAL A 16 13.912 1.160 -4.482 1.00 0.23 C ATOM 0 H VAL A 16 14.437 -1.472 -5.868 1.00 0.20 H new ATOM 0 HA VAL A 16 15.100 0.742 -7.674 1.00 0.21 H new ATOM 0 HB VAL A 16 14.152 2.288 -6.257 1.00 0.22 H new ATOM 0 HG11 VAL A 16 11.774 1.627 -6.071 1.00 0.25 H new ATOM 0 HG12 VAL A 16 12.486 1.146 -7.629 1.00 0.25 H new ATOM 0 HG13 VAL A 16 12.237 -0.068 -6.351 1.00 0.25 H new ATOM 0 HG21 VAL A 16 13.158 1.825 -4.061 1.00 0.23 H new ATOM 0 HG22 VAL A 16 13.699 0.134 -4.181 1.00 0.23 H new ATOM 0 HG23 VAL A 16 14.897 1.449 -4.115 1.00 0.23 H new ATOM 242 N THR A 17 17.097 1.140 -6.293 1.00 0.23 N ATOM 243 CA THR A 17 18.394 1.223 -5.671 1.00 0.27 C ATOM 244 C THR A 17 18.283 2.016 -4.372 1.00 0.28 C ATOM 245 O THR A 17 17.347 2.808 -4.200 1.00 0.28 O ATOM 246 CB THR A 17 19.387 1.922 -6.606 1.00 0.35 C ATOM 247 OG1 THR A 17 19.020 1.666 -7.969 1.00 0.77 O ATOM 248 CG2 THR A 17 20.805 1.438 -6.369 1.00 0.56 C ATOM 0 H THR A 17 16.968 1.777 -7.079 1.00 0.23 H new ATOM 0 HA THR A 17 18.751 0.215 -5.462 1.00 0.27 H new ATOM 0 HB THR A 17 19.352 2.992 -6.400 1.00 0.35 H new ATOM 0 HG1 THR A 17 19.653 2.114 -8.568 1.00 0.77 H new ATOM 0 HG21 THR A 17 21.484 1.954 -7.048 1.00 0.56 H new ATOM 0 HG22 THR A 17 21.094 1.648 -5.339 1.00 0.56 H new ATOM 0 HG23 THR A 17 20.858 0.364 -6.549 1.00 0.56 H new ATOM 256 N VAL A 18 19.216 1.802 -3.462 1.00 0.31 N ATOM 257 CA VAL A 18 19.263 2.583 -2.255 1.00 0.35 C ATOM 258 C VAL A 18 19.593 3.984 -2.630 1.00 0.36 C ATOM 259 O VAL A 18 20.714 4.326 -3.012 1.00 0.39 O ATOM 260 CB VAL A 18 20.319 2.151 -1.249 1.00 0.44 C ATOM 261 CG1 VAL A 18 20.037 2.758 0.116 1.00 0.76 C ATOM 262 CG2 VAL A 18 20.440 0.646 -1.162 1.00 0.78 C ATOM 0 H VAL A 18 19.946 1.094 -3.542 1.00 0.31 H new ATOM 0 HA VAL A 18 18.290 2.456 -1.781 1.00 0.35 H new ATOM 0 HB VAL A 18 21.280 2.526 -1.602 1.00 0.44 H new ATOM 0 HG11 VAL A 18 20.803 2.437 0.822 1.00 0.76 H new ATOM 0 HG12 VAL A 18 20.046 3.845 0.040 1.00 0.76 H new ATOM 0 HG13 VAL A 18 19.059 2.427 0.466 1.00 0.76 H new ATOM 0 HG21 VAL A 18 21.206 0.384 -0.432 1.00 0.78 H new ATOM 0 HG22 VAL A 18 19.484 0.221 -0.854 1.00 0.78 H new ATOM 0 HG23 VAL A 18 20.717 0.246 -2.137 1.00 0.78 H new ATOM 272 N GLY A 19 18.589 4.752 -2.555 1.00 0.38 N ATOM 273 CA GLY A 19 18.709 6.163 -2.778 1.00 0.45 C ATOM 274 C GLY A 19 17.843 6.648 -3.912 1.00 0.40 C ATOM 275 O GLY A 19 17.915 7.821 -4.278 1.00 0.48 O ATOM 0 H GLY A 19 17.644 4.437 -2.337 1.00 0.38 H new ATOM 0 HA2 GLY A 19 18.438 6.695 -1.866 1.00 0.45 H new ATOM 0 HA3 GLY A 19 19.750 6.406 -2.992 1.00 0.45 H new ATOM 279 N GLY A 20 17.017 5.776 -4.491 1.00 0.32 N ATOM 280 CA GLY A 20 16.086 6.252 -5.439 1.00 0.32 C ATOM 281 C GLY A 20 14.792 6.478 -4.767 1.00 0.30 C ATOM 282 O GLY A 20 14.679 7.176 -3.763 1.00 0.44 O ATOM 0 H GLY A 20 16.993 4.773 -4.310 1.00 0.32 H new ATOM 0 HA2 GLY A 20 16.445 7.179 -5.887 1.00 0.32 H new ATOM 0 HA3 GLY A 20 15.970 5.531 -6.248 1.00 0.32 H new ATOM 286 N SER A 21 13.833 5.872 -5.329 1.00 0.24 N ATOM 287 CA SER A 21 12.537 5.857 -4.809 1.00 0.22 C ATOM 288 C SER A 21 11.825 4.606 -5.212 1.00 0.22 C ATOM 289 O SER A 21 12.212 3.913 -6.145 1.00 0.25 O ATOM 290 CB SER A 21 11.785 7.066 -5.283 1.00 0.30 C ATOM 291 OG SER A 21 11.883 7.248 -6.689 1.00 0.82 O ATOM 0 H SER A 21 13.933 5.351 -6.200 1.00 0.24 H new ATOM 0 HA SER A 21 12.593 5.880 -3.721 1.00 0.22 H new ATOM 0 HB2 SER A 21 10.736 6.970 -5.004 1.00 0.30 H new ATOM 0 HB3 SER A 21 12.170 7.951 -4.777 1.00 0.30 H new ATOM 0 HG SER A 21 11.377 8.045 -6.952 1.00 0.82 H new ATOM 297 N ILE A 22 10.776 4.373 -4.508 1.00 0.22 N ATOM 298 CA ILE A 22 9.833 3.359 -4.803 1.00 0.24 C ATOM 299 C ILE A 22 8.473 3.953 -4.610 1.00 0.25 C ATOM 300 O ILE A 22 8.238 4.837 -3.789 1.00 0.27 O ATOM 301 CB ILE A 22 10.007 2.079 -3.974 1.00 0.25 C ATOM 302 CG1 ILE A 22 9.034 0.996 -4.432 1.00 0.29 C ATOM 303 CG2 ILE A 22 9.846 2.314 -2.484 1.00 0.29 C ATOM 304 CD1 ILE A 22 9.239 0.537 -5.858 1.00 0.32 C ATOM 0 H ILE A 22 10.542 4.910 -3.673 1.00 0.22 H new ATOM 0 HA ILE A 22 9.985 3.032 -5.832 1.00 0.24 H new ATOM 0 HB ILE A 22 11.031 1.745 -4.144 1.00 0.25 H new ATOM 0 HG12 ILE A 22 9.128 0.136 -3.769 1.00 0.29 H new ATOM 0 HG13 ILE A 22 8.016 1.371 -4.326 1.00 0.29 H new ATOM 0 HG21 ILE A 22 9.980 1.373 -1.951 1.00 0.29 H new ATOM 0 HG22 ILE A 22 10.593 3.032 -2.146 1.00 0.29 H new ATOM 0 HG23 ILE A 22 8.849 2.706 -2.283 1.00 0.29 H new ATOM 0 HD11 ILE A 22 8.506 -0.233 -6.101 1.00 0.32 H new ATOM 0 HD12 ILE A 22 9.115 1.383 -6.534 1.00 0.32 H new ATOM 0 HD13 ILE A 22 10.244 0.129 -5.968 1.00 0.32 H new ATOM 316 N THR A 23 7.616 3.498 -5.415 1.00 0.25 N ATOM 317 CA THR A 23 6.282 4.037 -5.496 1.00 0.23 C ATOM 318 C THR A 23 5.268 2.933 -5.621 1.00 0.24 C ATOM 319 O THR A 23 5.348 2.076 -6.502 1.00 0.28 O ATOM 320 CB THR A 23 6.104 5.004 -6.674 1.00 0.26 C ATOM 321 OG1 THR A 23 7.249 5.869 -6.785 1.00 0.31 O ATOM 322 CG2 THR A 23 4.841 5.842 -6.489 1.00 0.24 C ATOM 0 H THR A 23 7.796 2.728 -6.059 1.00 0.25 H new ATOM 0 HA THR A 23 6.124 4.593 -4.572 1.00 0.23 H new ATOM 0 HB THR A 23 6.009 4.419 -7.589 1.00 0.26 H new ATOM 0 HG1 THR A 23 7.125 6.480 -7.541 1.00 0.31 H new ATOM 0 HG21 THR A 23 4.729 6.523 -7.333 1.00 0.24 H new ATOM 0 HG22 THR A 23 3.973 5.185 -6.435 1.00 0.24 H new ATOM 0 HG23 THR A 23 4.918 6.417 -5.566 1.00 0.24 H new ATOM 330 N PHE A 24 4.333 2.962 -4.719 1.00 0.24 N ATOM 331 CA PHE A 24 3.228 2.042 -4.736 1.00 0.27 C ATOM 332 C PHE A 24 1.931 2.821 -4.765 1.00 0.24 C ATOM 333 O PHE A 24 1.810 3.874 -4.151 1.00 0.30 O ATOM 334 CB PHE A 24 3.255 1.154 -3.506 1.00 0.40 C ATOM 335 CG PHE A 24 4.547 0.409 -3.319 1.00 0.33 C ATOM 336 CD1 PHE A 24 4.804 -0.752 -4.031 1.00 0.46 C ATOM 337 CD2 PHE A 24 5.502 0.866 -2.429 1.00 0.43 C ATOM 338 CE1 PHE A 24 5.987 -1.444 -3.856 1.00 0.53 C ATOM 339 CE2 PHE A 24 6.687 0.180 -2.254 1.00 0.51 C ATOM 340 CZ PHE A 24 6.928 -0.978 -2.967 1.00 0.49 C ATOM 0 H PHE A 24 4.312 3.627 -3.946 1.00 0.24 H new ATOM 0 HA PHE A 24 3.306 1.413 -5.623 1.00 0.27 H new ATOM 0 HB2 PHE A 24 3.070 1.767 -2.624 1.00 0.40 H new ATOM 0 HB3 PHE A 24 2.439 0.435 -3.572 1.00 0.40 H new ATOM 0 HD1 PHE A 24 4.070 -1.121 -4.732 1.00 0.46 H new ATOM 0 HD2 PHE A 24 5.319 1.769 -1.865 1.00 0.43 H new ATOM 0 HE1 PHE A 24 6.173 -2.349 -4.416 1.00 0.53 H new ATOM 0 HE2 PHE A 24 7.426 0.549 -1.559 1.00 0.51 H new ATOM 0 HZ PHE A 24 7.853 -1.517 -2.827 1.00 0.49 H new ATOM 350 N SER A 25 0.986 2.297 -5.483 1.00 0.28 N ATOM 351 CA SER A 25 -0.331 2.878 -5.587 1.00 0.28 C ATOM 352 C SER A 25 -1.383 1.807 -5.373 1.00 0.27 C ATOM 353 O SER A 25 -1.471 0.831 -6.117 1.00 0.31 O ATOM 354 CB SER A 25 -0.540 3.514 -6.944 1.00 0.35 C ATOM 355 OG SER A 25 0.694 3.701 -7.620 1.00 0.58 O ATOM 0 H SER A 25 1.103 1.440 -6.024 1.00 0.28 H new ATOM 0 HA SER A 25 -0.421 3.649 -4.822 1.00 0.28 H new ATOM 0 HB2 SER A 25 -1.196 2.885 -7.546 1.00 0.35 H new ATOM 0 HB3 SER A 25 -1.041 4.474 -6.825 1.00 0.35 H new ATOM 0 HG SER A 25 0.529 4.112 -8.494 1.00 0.58 H new ATOM 361 N ALA A 26 -2.157 2.010 -4.355 1.00 0.26 N ATOM 362 CA ALA A 26 -3.199 1.081 -3.956 1.00 0.26 C ATOM 363 C ALA A 26 -4.571 1.748 -4.069 1.00 0.22 C ATOM 364 O ALA A 26 -4.849 2.726 -3.380 1.00 0.25 O ATOM 365 CB ALA A 26 -2.934 0.602 -2.531 1.00 0.32 C ATOM 0 H ALA A 26 -2.092 2.835 -3.759 1.00 0.26 H new ATOM 0 HA ALA A 26 -3.193 0.216 -4.620 1.00 0.26 H new ATOM 0 HB1 ALA A 26 -3.716 -0.096 -2.230 1.00 0.32 H new ATOM 0 HB2 ALA A 26 -1.966 0.102 -2.489 1.00 0.32 H new ATOM 0 HB3 ALA A 26 -2.931 1.457 -1.855 1.00 0.32 H new ATOM 371 N ARG A 27 -5.420 1.235 -4.948 1.00 0.22 N ATOM 372 CA ARG A 27 -6.730 1.842 -5.187 1.00 0.25 C ATOM 373 C ARG A 27 -7.837 1.004 -4.567 1.00 0.23 C ATOM 374 O ARG A 27 -7.972 -0.180 -4.875 1.00 0.31 O ATOM 375 CB ARG A 27 -6.987 1.993 -6.683 1.00 0.36 C ATOM 376 CG ARG A 27 -5.973 2.870 -7.395 1.00 0.28 C ATOM 377 CD ARG A 27 -6.282 2.970 -8.878 1.00 0.46 C ATOM 378 NE ARG A 27 -7.477 3.774 -9.148 1.00 1.22 N ATOM 379 CZ ARG A 27 -8.271 3.596 -10.209 1.00 1.55 C ATOM 380 NH1 ARG A 27 -8.041 2.600 -11.054 1.00 1.46 N ATOM 381 NH2 ARG A 27 -9.304 4.407 -10.423 1.00 2.43 N ATOM 0 H ARG A 27 -5.230 0.403 -5.507 1.00 0.22 H new ATOM 0 HA ARG A 27 -6.728 2.828 -4.721 1.00 0.25 H new ATOM 0 HB2 ARG A 27 -6.986 1.005 -7.144 1.00 0.36 H new ATOM 0 HB3 ARG A 27 -7.982 2.412 -6.830 1.00 0.36 H new ATOM 0 HG2 ARG A 27 -5.975 3.866 -6.952 1.00 0.28 H new ATOM 0 HG3 ARG A 27 -4.972 2.461 -7.256 1.00 0.28 H new ATOM 0 HD2 ARG A 27 -5.428 3.408 -9.395 1.00 0.46 H new ATOM 0 HD3 ARG A 27 -6.422 1.969 -9.285 1.00 0.46 H new ATOM 0 HE ARG A 27 -7.717 4.513 -8.487 1.00 1.22 H new ATOM 0 HH11 ARG A 27 -7.257 1.967 -10.895 1.00 1.46 H new ATOM 0 HH12 ARG A 27 -8.648 2.467 -11.863 1.00 1.46 H new ATOM 0 HH21 ARG A 27 -9.495 5.171 -9.775 1.00 2.43 H new ATOM 0 HH22 ARG A 27 -9.905 4.264 -11.235 1.00 2.43 H new ATOM 395 N VAL A 28 -8.638 1.629 -3.709 1.00 0.19 N ATOM 396 CA VAL A 28 -9.690 0.941 -3.009 1.00 0.20 C ATOM 397 C VAL A 28 -10.998 1.685 -3.151 1.00 0.23 C ATOM 398 O VAL A 28 -11.085 2.899 -2.958 1.00 0.24 O ATOM 399 CB VAL A 28 -9.381 0.769 -1.515 1.00 0.22 C ATOM 400 CG1 VAL A 28 -10.367 -0.201 -0.869 1.00 0.26 C ATOM 401 CG2 VAL A 28 -7.947 0.309 -1.331 1.00 0.23 C ATOM 0 H VAL A 28 -8.568 2.622 -3.488 1.00 0.19 H new ATOM 0 HA VAL A 28 -9.767 -0.048 -3.461 1.00 0.20 H new ATOM 0 HB VAL A 28 -9.495 1.731 -1.016 1.00 0.22 H new ATOM 0 HG11 VAL A 28 -10.131 -0.309 0.190 1.00 0.26 H new ATOM 0 HG12 VAL A 28 -11.381 0.185 -0.977 1.00 0.26 H new ATOM 0 HG13 VAL A 28 -10.295 -1.173 -1.358 1.00 0.26 H new ATOM 0 HG21 VAL A 28 -7.737 0.190 -0.268 1.00 0.23 H new ATOM 0 HG22 VAL A 28 -7.803 -0.645 -1.839 1.00 0.23 H new ATOM 0 HG23 VAL A 28 -7.270 1.051 -1.754 1.00 0.23 H new ATOM 411 N ALA A 29 -11.984 0.923 -3.510 1.00 0.29 N ATOM 412 CA ALA A 29 -13.339 1.386 -3.687 1.00 0.32 C ATOM 413 C ALA A 29 -13.931 1.890 -2.385 1.00 0.34 C ATOM 414 O ALA A 29 -14.158 1.122 -1.455 1.00 0.40 O ATOM 415 CB ALA A 29 -14.192 0.263 -4.240 1.00 0.38 C ATOM 0 H ALA A 29 -11.871 -0.074 -3.696 1.00 0.29 H new ATOM 0 HA ALA A 29 -13.323 2.219 -4.390 1.00 0.32 H new ATOM 0 HB1 ALA A 29 -15.215 0.615 -4.373 1.00 0.38 H new ATOM 0 HB2 ALA A 29 -13.791 -0.059 -5.201 1.00 0.38 H new ATOM 0 HB3 ALA A 29 -14.184 -0.576 -3.544 1.00 0.38 H new ATOM 421 N GLY A 30 -14.144 3.191 -2.342 1.00 0.35 N ATOM 422 CA GLY A 30 -14.853 3.823 -1.238 1.00 0.42 C ATOM 423 C GLY A 30 -16.145 3.107 -0.911 1.00 0.50 C ATOM 424 O GLY A 30 -16.390 2.762 0.236 1.00 0.76 O ATOM 0 H GLY A 30 -13.834 3.840 -3.065 1.00 0.35 H new ATOM 0 HA2 GLY A 30 -14.213 3.836 -0.356 1.00 0.42 H new ATOM 0 HA3 GLY A 30 -15.068 4.861 -1.492 1.00 0.42 H new ATOM 428 N ALA A 31 -16.970 2.923 -1.940 1.00 0.49 N ATOM 429 CA ALA A 31 -18.156 2.062 -1.892 1.00 0.55 C ATOM 430 C ALA A 31 -19.176 2.483 -0.839 1.00 0.64 C ATOM 431 O ALA A 31 -19.066 3.542 -0.219 1.00 0.71 O ATOM 432 CB ALA A 31 -17.748 0.608 -1.663 1.00 0.58 C ATOM 0 H ALA A 31 -16.834 3.373 -2.845 1.00 0.49 H new ATOM 0 HA ALA A 31 -18.644 2.168 -2.861 1.00 0.55 H new ATOM 0 HB1 ALA A 31 -18.639 -0.019 -1.630 1.00 0.58 H new ATOM 0 HB2 ALA A 31 -17.103 0.279 -2.477 1.00 0.58 H new ATOM 0 HB3 ALA A 31 -17.211 0.525 -0.718 1.00 0.58 H new ATOM 438 N SER A 32 -20.198 1.652 -0.695 1.00 0.85 N ATOM 439 CA SER A 32 -21.183 1.788 0.356 1.00 0.96 C ATOM 440 C SER A 32 -21.029 0.626 1.334 1.00 1.01 C ATOM 441 O SER A 32 -20.972 -0.541 0.930 1.00 1.69 O ATOM 442 CB SER A 32 -22.582 1.823 -0.255 1.00 1.19 C ATOM 443 OG SER A 32 -22.666 0.942 -1.363 1.00 1.74 O ATOM 0 H SER A 32 -20.364 0.858 -1.313 1.00 0.85 H new ATOM 0 HA SER A 32 -21.032 2.720 0.900 1.00 0.96 H new ATOM 0 HB2 SER A 32 -23.320 1.542 0.496 1.00 1.19 H new ATOM 0 HB3 SER A 32 -22.821 2.838 -0.572 1.00 1.19 H new ATOM 0 HG SER A 32 -23.570 0.976 -1.741 1.00 1.74 H new ATOM 449 N LEU A 33 -20.933 0.946 2.612 1.00 0.96 N ATOM 450 CA LEU A 33 -20.590 -0.028 3.620 1.00 0.93 C ATOM 451 C LEU A 33 -20.974 0.435 5.010 1.00 0.90 C ATOM 452 O LEU A 33 -21.515 1.525 5.191 1.00 0.98 O ATOM 453 CB LEU A 33 -19.087 -0.357 3.609 1.00 0.99 C ATOM 454 CG LEU A 33 -18.048 0.766 3.354 1.00 1.26 C ATOM 455 CD1 LEU A 33 -17.555 0.688 1.926 1.00 2.16 C ATOM 456 CD2 LEU A 33 -18.560 2.172 3.657 1.00 1.95 C ATOM 0 H LEU A 33 -21.091 1.886 2.975 1.00 0.96 H new ATOM 0 HA LEU A 33 -21.158 -0.925 3.372 1.00 0.93 H new ATOM 0 HB2 LEU A 33 -18.847 -0.808 4.572 1.00 0.99 H new ATOM 0 HB3 LEU A 33 -18.929 -1.123 2.850 1.00 0.99 H new ATOM 0 HG LEU A 33 -17.230 0.591 4.053 1.00 1.26 H new ATOM 0 HD11 LEU A 33 -16.825 1.478 1.749 1.00 2.16 H new ATOM 0 HD12 LEU A 33 -17.088 -0.282 1.755 1.00 2.16 H new ATOM 0 HD13 LEU A 33 -18.396 0.812 1.244 1.00 2.16 H new ATOM 0 HD21 LEU A 33 -17.773 2.898 3.453 1.00 1.95 H new ATOM 0 HD22 LEU A 33 -19.424 2.388 3.029 1.00 1.95 H new ATOM 0 HD23 LEU A 33 -18.849 2.236 4.706 1.00 1.95 H new ATOM 468 N LEU A 34 -20.673 -0.416 5.984 1.00 0.87 N ATOM 469 CA LEU A 34 -20.857 -0.089 7.383 1.00 0.89 C ATOM 470 C LEU A 34 -19.885 1.017 7.764 1.00 0.84 C ATOM 471 O LEU A 34 -20.241 1.981 8.444 1.00 0.95 O ATOM 472 CB LEU A 34 -20.607 -1.326 8.245 1.00 1.01 C ATOM 473 CG LEU A 34 -20.954 -1.151 9.718 1.00 1.22 C ATOM 474 CD1 LEU A 34 -22.461 -1.201 9.923 1.00 1.45 C ATOM 475 CD2 LEU A 34 -20.236 -2.191 10.569 1.00 1.47 C ATOM 0 H LEU A 34 -20.295 -1.349 5.821 1.00 0.87 H new ATOM 0 HA LEU A 34 -21.880 0.250 7.549 1.00 0.89 H new ATOM 0 HB2 LEU A 34 -21.189 -2.156 7.844 1.00 1.01 H new ATOM 0 HB3 LEU A 34 -19.556 -1.604 8.163 1.00 1.01 H new ATOM 0 HG LEU A 34 -20.609 -0.169 10.042 1.00 1.22 H new ATOM 0 HD11 LEU A 34 -22.689 -1.074 10.981 1.00 1.45 H new ATOM 0 HD12 LEU A 34 -22.933 -0.401 9.352 1.00 1.45 H new ATOM 0 HD13 LEU A 34 -22.843 -2.164 9.583 1.00 1.45 H new ATOM 0 HD21 LEU A 34 -20.498 -2.047 11.617 1.00 1.47 H new ATOM 0 HD22 LEU A 34 -20.537 -3.190 10.253 1.00 1.47 H new ATOM 0 HD23 LEU A 34 -19.159 -2.081 10.446 1.00 1.47 H new ATOM 487 N LYS A 35 -18.649 0.856 7.309 1.00 0.76 N ATOM 488 CA LYS A 35 -17.614 1.858 7.482 1.00 0.76 C ATOM 489 C LYS A 35 -16.627 1.774 6.329 1.00 0.65 C ATOM 490 O LYS A 35 -16.429 0.686 5.776 1.00 0.75 O ATOM 491 CB LYS A 35 -16.921 1.700 8.853 1.00 0.90 C ATOM 492 CG LYS A 35 -16.483 0.277 9.196 1.00 0.92 C ATOM 493 CD LYS A 35 -15.237 -0.142 8.429 1.00 0.90 C ATOM 494 CE LYS A 35 -14.791 -1.548 8.789 1.00 1.00 C ATOM 495 NZ LYS A 35 -14.339 -1.651 10.200 1.00 1.40 N ATOM 0 H LYS A 35 -18.339 0.023 6.809 1.00 0.76 H new ATOM 0 HA LYS A 35 -18.064 2.851 7.470 1.00 0.76 H new ATOM 0 HB2 LYS A 35 -16.046 2.349 8.878 1.00 0.90 H new ATOM 0 HB3 LYS A 35 -17.601 2.052 9.629 1.00 0.90 H new ATOM 0 HG2 LYS A 35 -16.290 0.206 10.266 1.00 0.92 H new ATOM 0 HG3 LYS A 35 -17.295 -0.415 8.972 1.00 0.92 H new ATOM 0 HD2 LYS A 35 -15.435 -0.088 7.359 1.00 0.90 H new ATOM 0 HD3 LYS A 35 -14.429 0.559 8.639 1.00 0.90 H new ATOM 0 HE2 LYS A 35 -15.615 -2.242 8.622 1.00 1.00 H new ATOM 0 HE3 LYS A 35 -13.980 -1.850 8.127 1.00 1.00 H new ATOM 0 HZ1 LYS A 35 -13.888 -2.576 10.354 1.00 1.40 H new ATOM 0 HZ2 LYS A 35 -13.654 -0.894 10.401 1.00 1.40 H new ATOM 0 HZ3 LYS A 35 -15.157 -1.555 10.835 1.00 1.40 H new ATOM 509 N PRO A 36 -16.032 2.918 5.933 1.00 0.65 N ATOM 510 CA PRO A 36 -15.090 2.988 4.807 1.00 0.56 C ATOM 511 C PRO A 36 -14.041 1.891 4.889 1.00 0.45 C ATOM 512 O PRO A 36 -13.594 1.540 5.987 1.00 0.47 O ATOM 513 CB PRO A 36 -14.451 4.368 4.973 1.00 0.61 C ATOM 514 CG PRO A 36 -15.502 5.179 5.649 1.00 0.88 C ATOM 515 CD PRO A 36 -16.219 4.234 6.572 1.00 0.88 C ATOM 0 HA PRO A 36 -15.576 2.850 3.841 1.00 0.56 H new ATOM 0 HB2 PRO A 36 -13.542 4.316 5.572 1.00 0.61 H new ATOM 0 HB3 PRO A 36 -14.175 4.797 4.010 1.00 0.61 H new ATOM 0 HG2 PRO A 36 -15.060 6.007 6.203 1.00 0.88 H new ATOM 0 HG3 PRO A 36 -16.189 5.612 4.922 1.00 0.88 H new ATOM 0 HD2 PRO A 36 -15.796 4.256 7.576 1.00 0.88 H new ATOM 0 HD3 PRO A 36 -17.275 4.488 6.665 1.00 0.88 H new ATOM 523 N PRO A 37 -13.648 1.318 3.739 1.00 0.40 N ATOM 524 CA PRO A 37 -12.717 0.197 3.716 1.00 0.35 C ATOM 525 C PRO A 37 -11.483 0.436 4.558 1.00 0.32 C ATOM 526 O PRO A 37 -10.823 1.472 4.459 1.00 0.36 O ATOM 527 CB PRO A 37 -12.301 0.056 2.266 1.00 0.40 C ATOM 528 CG PRO A 37 -12.984 1.149 1.500 1.00 0.53 C ATOM 529 CD PRO A 37 -14.060 1.723 2.379 1.00 0.47 C ATOM 0 HA PRO A 37 -13.198 -0.691 4.126 1.00 0.35 H new ATOM 0 HB2 PRO A 37 -11.218 0.135 2.167 1.00 0.40 H new ATOM 0 HB3 PRO A 37 -12.586 -0.922 1.877 1.00 0.40 H new ATOM 0 HG2 PRO A 37 -12.269 1.922 1.217 1.00 0.53 H new ATOM 0 HG3 PRO A 37 -13.413 0.758 0.577 1.00 0.53 H new ATOM 0 HD2 PRO A 37 -14.120 2.807 2.284 1.00 0.47 H new ATOM 0 HD3 PRO A 37 -15.042 1.326 2.122 1.00 0.47 H new ATOM 537 N VAL A 38 -11.165 -0.548 5.365 1.00 0.29 N ATOM 538 CA VAL A 38 -9.997 -0.486 6.184 1.00 0.27 C ATOM 539 C VAL A 38 -8.946 -1.281 5.499 1.00 0.22 C ATOM 540 O VAL A 38 -8.962 -2.509 5.471 1.00 0.20 O ATOM 541 CB VAL A 38 -10.171 -1.066 7.580 1.00 0.31 C ATOM 542 CG1 VAL A 38 -9.049 -0.599 8.499 1.00 0.72 C ATOM 543 CG2 VAL A 38 -11.532 -0.726 8.152 1.00 0.77 C ATOM 0 H VAL A 38 -11.710 -1.405 5.466 1.00 0.29 H new ATOM 0 HA VAL A 38 -9.750 0.568 6.313 1.00 0.27 H new ATOM 0 HB VAL A 38 -10.114 -2.152 7.505 1.00 0.31 H new ATOM 0 HG11 VAL A 38 -9.191 -1.024 9.492 1.00 0.72 H new ATOM 0 HG12 VAL A 38 -8.090 -0.927 8.098 1.00 0.72 H new ATOM 0 HG13 VAL A 38 -9.062 0.489 8.565 1.00 0.72 H new ATOM 0 HG21 VAL A 38 -11.625 -1.155 9.150 1.00 0.77 H new ATOM 0 HG22 VAL A 38 -11.642 0.357 8.211 1.00 0.77 H new ATOM 0 HG23 VAL A 38 -12.310 -1.135 7.508 1.00 0.77 H new ATOM 553 N VAL A 39 -8.070 -0.560 4.945 1.00 0.22 N ATOM 554 CA VAL A 39 -6.948 -1.104 4.266 1.00 0.21 C ATOM 555 C VAL A 39 -5.745 -0.836 5.110 1.00 0.20 C ATOM 556 O VAL A 39 -5.353 0.310 5.322 1.00 0.23 O ATOM 557 CB VAL A 39 -6.696 -0.431 2.920 1.00 0.24 C ATOM 558 CG1 VAL A 39 -5.889 -1.338 2.005 1.00 0.28 C ATOM 559 CG2 VAL A 39 -7.998 0.025 2.280 1.00 0.24 C ATOM 0 H VAL A 39 -8.101 0.460 4.943 1.00 0.22 H new ATOM 0 HA VAL A 39 -7.138 -2.164 4.096 1.00 0.21 H new ATOM 0 HB VAL A 39 -6.100 0.466 3.091 1.00 0.24 H new ATOM 0 HG11 VAL A 39 -5.722 -0.837 1.051 1.00 0.28 H new ATOM 0 HG12 VAL A 39 -4.929 -1.563 2.470 1.00 0.28 H new ATOM 0 HG13 VAL A 39 -6.437 -2.265 1.837 1.00 0.28 H new ATOM 0 HG21 VAL A 39 -7.786 0.501 1.322 1.00 0.24 H new ATOM 0 HG22 VAL A 39 -8.647 -0.836 2.121 1.00 0.24 H new ATOM 0 HG23 VAL A 39 -8.496 0.738 2.937 1.00 0.24 H new ATOM 569 N LYS A 40 -5.184 -1.878 5.593 1.00 0.19 N ATOM 570 CA LYS A 40 -3.968 -1.791 6.307 1.00 0.20 C ATOM 571 C LYS A 40 -2.830 -2.212 5.437 1.00 0.19 C ATOM 572 O LYS A 40 -2.825 -3.264 4.790 1.00 0.21 O ATOM 573 CB LYS A 40 -4.012 -2.578 7.602 1.00 0.26 C ATOM 574 CG LYS A 40 -4.138 -4.079 7.437 1.00 0.31 C ATOM 575 CD LYS A 40 -2.768 -4.752 7.432 1.00 0.37 C ATOM 576 CE LYS A 40 -2.872 -6.270 7.473 1.00 0.86 C ATOM 577 NZ LYS A 40 -3.631 -6.755 8.658 1.00 1.54 N ATOM 0 H LYS A 40 -5.558 -2.823 5.504 1.00 0.19 H new ATOM 0 HA LYS A 40 -3.814 -0.750 6.589 1.00 0.20 H new ATOM 0 HB2 LYS A 40 -3.106 -2.365 8.170 1.00 0.26 H new ATOM 0 HB3 LYS A 40 -4.852 -2.222 8.198 1.00 0.26 H new ATOM 0 HG2 LYS A 40 -4.743 -4.487 8.247 1.00 0.31 H new ATOM 0 HG3 LYS A 40 -4.659 -4.302 6.506 1.00 0.31 H new ATOM 0 HD2 LYS A 40 -2.221 -4.451 6.539 1.00 0.37 H new ATOM 0 HD3 LYS A 40 -2.192 -4.406 8.290 1.00 0.37 H new ATOM 0 HE2 LYS A 40 -3.359 -6.623 6.564 1.00 0.86 H new ATOM 0 HE3 LYS A 40 -1.870 -6.700 7.486 1.00 0.86 H new ATOM 0 HZ1 LYS A 40 -3.084 -7.496 9.141 1.00 1.54 H new ATOM 0 HZ2 LYS A 40 -3.795 -5.964 9.313 1.00 1.54 H new ATOM 0 HZ3 LYS A 40 -4.545 -7.144 8.349 1.00 1.54 H new ATOM 591 N TRP A 41 -1.927 -1.312 5.384 1.00 0.18 N ATOM 592 CA TRP A 41 -0.691 -1.490 4.682 1.00 0.19 C ATOM 593 C TRP A 41 0.318 -2.217 5.519 1.00 0.21 C ATOM 594 O TRP A 41 0.261 -2.240 6.749 1.00 0.28 O ATOM 595 CB TRP A 41 -0.109 -0.150 4.293 1.00 0.21 C ATOM 596 CG TRP A 41 -0.801 0.480 3.149 1.00 0.21 C ATOM 597 CD1 TRP A 41 -1.984 1.149 3.183 1.00 0.23 C ATOM 598 CD2 TRP A 41 -0.352 0.494 1.795 1.00 0.23 C ATOM 599 NE1 TRP A 41 -2.280 1.618 1.925 1.00 0.24 N ATOM 600 CE2 TRP A 41 -1.300 1.212 1.057 1.00 0.23 C ATOM 601 CE3 TRP A 41 0.768 -0.025 1.135 1.00 0.29 C ATOM 602 CZ2 TRP A 41 -1.167 1.418 -0.308 1.00 0.27 C ATOM 603 CZ3 TRP A 41 0.892 0.180 -0.224 1.00 0.34 C ATOM 604 CH2 TRP A 41 -0.076 0.899 -0.931 1.00 0.33 C ATOM 0 H TRP A 41 -2.017 -0.402 5.836 1.00 0.18 H new ATOM 0 HA TRP A 41 -0.910 -2.081 3.793 1.00 0.19 H new ATOM 0 HB2 TRP A 41 -0.156 0.521 5.151 1.00 0.21 H new ATOM 0 HB3 TRP A 41 0.945 -0.278 4.045 1.00 0.21 H new ATOM 0 HD1 TRP A 41 -2.596 1.290 4.062 1.00 0.23 H new ATOM 0 HE1 TRP A 41 -3.096 2.177 1.678 1.00 0.24 H new ATOM 0 HE3 TRP A 41 1.521 -0.576 1.679 1.00 0.29 H new ATOM 0 HZ2 TRP A 41 -1.909 1.975 -0.860 1.00 0.27 H new ATOM 0 HZ3 TRP A 41 1.748 -0.220 -0.748 1.00 0.34 H new ATOM 0 HH2 TRP A 41 0.045 1.045 -1.994 1.00 0.33 H new ATOM 615 N PHE A 42 1.233 -2.805 4.814 1.00 0.21 N ATOM 616 CA PHE A 42 2.421 -3.341 5.388 1.00 0.23 C ATOM 617 C PHE A 42 3.525 -2.903 4.465 1.00 0.26 C ATOM 618 O PHE A 42 3.338 -2.843 3.258 1.00 0.34 O ATOM 619 CB PHE A 42 2.359 -4.866 5.513 1.00 0.26 C ATOM 620 CG PHE A 42 3.341 -5.423 6.510 1.00 0.30 C ATOM 621 CD1 PHE A 42 3.123 -5.291 7.871 1.00 0.49 C ATOM 622 CD2 PHE A 42 4.481 -6.083 6.080 1.00 0.37 C ATOM 623 CE1 PHE A 42 4.027 -5.803 8.784 1.00 0.62 C ATOM 624 CE2 PHE A 42 5.388 -6.597 6.989 1.00 0.50 C ATOM 625 CZ PHE A 42 5.148 -6.442 8.361 1.00 0.60 C ATOM 0 H PHE A 42 1.171 -2.927 3.803 1.00 0.21 H new ATOM 0 HA PHE A 42 2.574 -2.984 6.406 1.00 0.23 H new ATOM 0 HB2 PHE A 42 1.350 -5.159 5.805 1.00 0.26 H new ATOM 0 HB3 PHE A 42 2.551 -5.312 4.537 1.00 0.26 H new ATOM 0 HD1 PHE A 42 2.238 -4.783 8.223 1.00 0.49 H new ATOM 0 HD2 PHE A 42 4.664 -6.198 5.022 1.00 0.37 H new ATOM 0 HE1 PHE A 42 3.840 -5.694 9.842 1.00 0.62 H new ATOM 0 HE2 PHE A 42 6.272 -7.113 6.645 1.00 0.50 H new ATOM 0 HZ PHE A 42 5.853 -6.830 9.081 1.00 0.60 H new ATOM 635 N LYS A 43 4.626 -2.518 5.019 1.00 0.28 N ATOM 636 CA LYS A 43 5.726 -2.029 4.245 1.00 0.31 C ATOM 637 C LYS A 43 6.685 -3.208 4.162 1.00 0.39 C ATOM 638 O LYS A 43 6.475 -4.117 4.925 1.00 0.81 O ATOM 639 CB LYS A 43 6.358 -0.803 4.928 1.00 0.40 C ATOM 640 CG LYS A 43 7.461 -0.144 4.133 1.00 0.54 C ATOM 641 CD LYS A 43 8.085 1.013 4.887 1.00 0.67 C ATOM 642 CE LYS A 43 8.980 1.827 3.977 1.00 1.29 C ATOM 643 NZ LYS A 43 10.023 1.000 3.318 1.00 2.17 N ATOM 0 H LYS A 43 4.792 -2.532 6.025 1.00 0.28 H new ATOM 0 HA LYS A 43 5.435 -1.687 3.252 1.00 0.31 H new ATOM 0 HB2 LYS A 43 5.577 -0.068 5.121 1.00 0.40 H new ATOM 0 HB3 LYS A 43 6.756 -1.107 5.896 1.00 0.40 H new ATOM 0 HG2 LYS A 43 8.229 -0.881 3.897 1.00 0.54 H new ATOM 0 HG3 LYS A 43 7.061 0.214 3.184 1.00 0.54 H new ATOM 0 HD2 LYS A 43 7.302 1.650 5.299 1.00 0.67 H new ATOM 0 HD3 LYS A 43 8.663 0.634 5.730 1.00 0.67 H new ATOM 0 HE2 LYS A 43 8.372 2.314 3.215 1.00 1.29 H new ATOM 0 HE3 LYS A 43 9.459 2.617 4.555 1.00 1.29 H new ATOM 0 HZ1 LYS A 43 10.932 1.505 3.341 1.00 2.17 H new ATOM 0 HZ2 LYS A 43 10.117 0.095 3.821 1.00 2.17 H new ATOM 0 HZ3 LYS A 43 9.751 0.821 2.330 1.00 2.17 H new ATOM 657 N GLY A 44 7.699 -3.144 3.278 1.00 0.64 N ATOM 658 CA GLY A 44 8.781 -4.164 3.088 1.00 0.92 C ATOM 659 C GLY A 44 8.951 -5.281 4.143 1.00 0.39 C ATOM 660 O GLY A 44 8.019 -5.744 4.721 1.00 1.23 O ATOM 0 H GLY A 44 7.803 -2.352 2.644 1.00 0.64 H new ATOM 0 HA2 GLY A 44 8.615 -4.644 2.124 1.00 0.92 H new ATOM 0 HA3 GLY A 44 9.729 -3.630 3.019 1.00 0.92 H new ATOM 664 N LYS A 45 10.071 -5.968 4.103 1.00 0.85 N ATOM 665 CA LYS A 45 10.248 -7.211 4.880 1.00 1.06 C ATOM 666 C LYS A 45 9.771 -7.176 6.358 1.00 0.74 C ATOM 667 O LYS A 45 9.696 -8.235 6.979 1.00 0.82 O ATOM 668 CB LYS A 45 11.724 -7.576 4.883 1.00 1.67 C ATOM 669 CG LYS A 45 12.048 -8.777 4.025 1.00 2.44 C ATOM 670 CD LYS A 45 13.523 -9.125 4.096 1.00 2.82 C ATOM 671 CE LYS A 45 13.930 -9.583 5.485 1.00 2.98 C ATOM 672 NZ LYS A 45 15.394 -9.827 5.584 1.00 3.87 N ATOM 0 H LYS A 45 10.883 -5.701 3.546 1.00 0.85 H new ATOM 0 HA LYS A 45 9.612 -7.941 4.380 1.00 1.06 H new ATOM 0 HB2 LYS A 45 12.302 -6.721 4.532 1.00 1.67 H new ATOM 0 HB3 LYS A 45 12.039 -7.775 5.907 1.00 1.67 H new ATOM 0 HG2 LYS A 45 11.455 -9.631 4.352 1.00 2.44 H new ATOM 0 HG3 LYS A 45 11.770 -8.573 2.991 1.00 2.44 H new ATOM 0 HD2 LYS A 45 13.746 -9.911 3.375 1.00 2.82 H new ATOM 0 HD3 LYS A 45 14.115 -8.255 3.812 1.00 2.82 H new ATOM 0 HE2 LYS A 45 13.638 -8.829 6.216 1.00 2.98 H new ATOM 0 HE3 LYS A 45 13.392 -10.497 5.738 1.00 2.98 H new ATOM 0 HZ1 LYS A 45 15.630 -10.138 6.548 1.00 3.87 H new ATOM 0 HZ2 LYS A 45 15.670 -10.565 4.905 1.00 3.87 H new ATOM 0 HZ3 LYS A 45 15.908 -8.949 5.368 1.00 3.87 H new ATOM 686 N TRP A 46 9.440 -6.015 6.933 1.00 0.58 N ATOM 687 CA TRP A 46 9.083 -5.970 8.351 1.00 0.57 C ATOM 688 C TRP A 46 8.372 -4.693 8.793 1.00 0.63 C ATOM 689 O TRP A 46 7.986 -4.565 9.954 1.00 0.74 O ATOM 690 CB TRP A 46 10.342 -6.065 9.168 1.00 0.76 C ATOM 691 CG TRP A 46 11.449 -5.199 8.655 1.00 0.97 C ATOM 692 CD1 TRP A 46 12.328 -5.501 7.659 1.00 1.19 C ATOM 693 CD2 TRP A 46 11.787 -3.886 9.108 1.00 1.27 C ATOM 694 NE1 TRP A 46 13.176 -4.451 7.442 1.00 1.38 N ATOM 695 CE2 TRP A 46 12.872 -3.444 8.330 1.00 1.42 C ATOM 696 CE3 TRP A 46 11.273 -3.041 10.095 1.00 1.66 C ATOM 697 CZ2 TRP A 46 13.448 -2.184 8.508 1.00 1.78 C ATOM 698 CZ3 TRP A 46 11.844 -1.798 10.273 1.00 2.10 C ATOM 699 CH2 TRP A 46 12.921 -1.379 9.483 1.00 2.11 C ATOM 0 H TRP A 46 9.412 -5.116 6.452 1.00 0.58 H new ATOM 0 HA TRP A 46 8.394 -6.801 8.504 1.00 0.57 H new ATOM 0 HB2 TRP A 46 10.120 -5.786 10.198 1.00 0.76 H new ATOM 0 HB3 TRP A 46 10.679 -7.102 9.184 1.00 0.76 H new ATOM 0 HD1 TRP A 46 12.352 -6.436 7.118 1.00 1.19 H new ATOM 0 HE1 TRP A 46 13.913 -4.419 6.738 1.00 1.38 H new ATOM 0 HE3 TRP A 46 10.442 -3.356 10.709 1.00 1.66 H new ATOM 0 HZ2 TRP A 46 14.278 -1.857 7.900 1.00 1.78 H new ATOM 0 HZ3 TRP A 46 11.454 -1.138 11.034 1.00 2.10 H new ATOM 0 HH2 TRP A 46 13.346 -0.399 9.646 1.00 2.11 H new ATOM 710 N VAL A 47 8.211 -3.767 7.893 1.00 0.63 N ATOM 711 CA VAL A 47 7.885 -2.430 8.228 1.00 0.74 C ATOM 712 C VAL A 47 6.394 -2.194 8.244 1.00 0.59 C ATOM 713 O VAL A 47 5.631 -2.703 7.434 1.00 0.57 O ATOM 714 CB VAL A 47 8.539 -1.425 7.274 1.00 0.90 C ATOM 715 CG1 VAL A 47 9.402 -0.477 8.062 1.00 1.20 C ATOM 716 CG2 VAL A 47 9.364 -2.103 6.184 1.00 1.29 C ATOM 0 H VAL A 47 8.306 -3.933 6.891 1.00 0.63 H new ATOM 0 HA VAL A 47 8.277 -2.274 9.233 1.00 0.74 H new ATOM 0 HB VAL A 47 7.740 -0.879 6.772 1.00 0.90 H new ATOM 0 HG11 VAL A 47 9.868 0.239 7.385 1.00 1.20 H new ATOM 0 HG12 VAL A 47 8.788 0.057 8.787 1.00 1.20 H new ATOM 0 HG13 VAL A 47 10.176 -1.039 8.585 1.00 1.20 H new ATOM 0 HG21 VAL A 47 9.805 -1.345 5.537 1.00 1.29 H new ATOM 0 HG22 VAL A 47 10.157 -2.694 6.642 1.00 1.29 H new ATOM 0 HG23 VAL A 47 8.721 -2.755 5.593 1.00 1.29 H new ATOM 726 N ASP A 48 6.034 -1.416 9.201 1.00 0.60 N ATOM 727 CA ASP A 48 4.680 -0.995 9.460 1.00 0.56 C ATOM 728 C ASP A 48 4.467 0.473 9.147 1.00 0.58 C ATOM 729 O ASP A 48 4.793 1.335 9.953 1.00 0.96 O ATOM 730 CB ASP A 48 4.371 -1.217 10.918 1.00 0.73 C ATOM 731 CG ASP A 48 5.505 -0.823 11.857 1.00 1.88 C ATOM 732 OD1 ASP A 48 6.581 -1.457 11.814 1.00 2.73 O ATOM 733 OD2 ASP A 48 5.321 0.132 12.642 1.00 2.22 O ATOM 0 H ASP A 48 6.702 -1.029 9.867 1.00 0.60 H new ATOM 0 HA ASP A 48 4.023 -1.580 8.817 1.00 0.56 H new ATOM 0 HB2 ASP A 48 3.480 -0.647 11.181 1.00 0.73 H new ATOM 0 HB3 ASP A 48 4.133 -2.269 11.073 1.00 0.73 H new ATOM 738 N LEU A 49 3.865 0.754 8.013 1.00 0.39 N ATOM 739 CA LEU A 49 3.750 2.128 7.535 1.00 0.35 C ATOM 740 C LEU A 49 3.114 3.060 8.552 1.00 0.41 C ATOM 741 O LEU A 49 3.548 4.192 8.679 1.00 0.44 O ATOM 742 CB LEU A 49 2.957 2.232 6.231 1.00 0.29 C ATOM 743 CG LEU A 49 3.611 1.674 4.966 1.00 0.25 C ATOM 744 CD1 LEU A 49 3.226 0.249 4.718 1.00 0.36 C ATOM 745 CD2 LEU A 49 3.187 2.466 3.769 1.00 0.28 C ATOM 0 H LEU A 49 3.445 0.055 7.400 1.00 0.39 H new ATOM 0 HA LEU A 49 4.780 2.440 7.361 1.00 0.35 H new ATOM 0 HB2 LEU A 49 2.006 1.719 6.373 1.00 0.29 H new ATOM 0 HB3 LEU A 49 2.730 3.284 6.057 1.00 0.29 H new ATOM 0 HG LEU A 49 4.688 1.739 5.120 1.00 0.25 H new ATOM 0 HD11 LEU A 49 3.713 -0.107 3.810 1.00 0.36 H new ATOM 0 HD12 LEU A 49 3.540 -0.365 5.562 1.00 0.36 H new ATOM 0 HD13 LEU A 49 2.145 0.179 4.601 1.00 0.36 H new ATOM 0 HD21 LEU A 49 3.660 2.057 2.876 1.00 0.28 H new ATOM 0 HD22 LEU A 49 2.104 2.412 3.662 1.00 0.28 H new ATOM 0 HD23 LEU A 49 3.488 3.506 3.896 1.00 0.28 H new ATOM 757 N SER A 50 2.164 2.572 9.328 1.00 0.48 N ATOM 758 CA SER A 50 1.359 3.401 10.179 1.00 0.58 C ATOM 759 C SER A 50 2.247 4.177 11.119 1.00 0.62 C ATOM 760 O SER A 50 1.869 5.226 11.645 1.00 0.70 O ATOM 761 CB SER A 50 0.406 2.512 10.957 1.00 0.73 C ATOM 762 OG SER A 50 -0.294 1.642 10.083 1.00 1.23 O ATOM 0 H SER A 50 1.934 1.579 9.379 1.00 0.48 H new ATOM 0 HA SER A 50 0.787 4.112 9.584 1.00 0.58 H new ATOM 0 HB2 SER A 50 0.962 1.928 11.691 1.00 0.73 H new ATOM 0 HB3 SER A 50 -0.303 3.127 11.511 1.00 0.73 H new ATOM 0 HG SER A 50 -0.902 1.076 10.603 1.00 1.23 H new ATOM 768 N SER A 51 3.446 3.655 11.313 1.00 0.64 N ATOM 769 CA SER A 51 4.365 4.263 12.196 1.00 0.75 C ATOM 770 C SER A 51 5.373 5.131 11.451 1.00 0.72 C ATOM 771 O SER A 51 5.810 6.174 11.938 1.00 0.85 O ATOM 772 CB SER A 51 5.091 3.190 12.985 1.00 0.90 C ATOM 773 OG SER A 51 4.185 2.332 13.655 1.00 1.34 O ATOM 0 H SER A 51 3.786 2.807 10.858 1.00 0.64 H new ATOM 0 HA SER A 51 3.808 4.911 12.873 1.00 0.75 H new ATOM 0 HB2 SER A 51 5.718 2.604 12.312 1.00 0.90 H new ATOM 0 HB3 SER A 51 5.755 3.658 13.712 1.00 0.90 H new ATOM 0 HG SER A 51 4.312 1.413 13.340 1.00 1.34 H new ATOM 779 N LYS A 52 5.728 4.678 10.269 1.00 0.62 N ATOM 780 CA LYS A 52 6.847 5.222 9.528 1.00 0.66 C ATOM 781 C LYS A 52 6.414 6.353 8.606 1.00 0.67 C ATOM 782 O LYS A 52 7.170 7.293 8.366 1.00 1.09 O ATOM 783 CB LYS A 52 7.504 4.120 8.692 1.00 0.65 C ATOM 784 CG LYS A 52 7.167 2.682 9.085 1.00 0.70 C ATOM 785 CD LYS A 52 7.366 2.365 10.574 1.00 0.78 C ATOM 786 CE LYS A 52 8.783 1.965 10.934 1.00 1.02 C ATOM 787 NZ LYS A 52 8.858 1.518 12.353 1.00 1.40 N ATOM 0 H LYS A 52 5.246 3.917 9.791 1.00 0.62 H new ATOM 0 HA LYS A 52 7.558 5.620 10.252 1.00 0.66 H new ATOM 0 HB2 LYS A 52 7.220 4.266 7.650 1.00 0.65 H new ATOM 0 HB3 LYS A 52 8.585 4.246 8.748 1.00 0.65 H new ATOM 0 HG2 LYS A 52 6.129 2.480 8.819 1.00 0.70 H new ATOM 0 HG3 LYS A 52 7.785 2.004 8.496 1.00 0.70 H new ATOM 0 HD2 LYS A 52 7.085 3.239 11.162 1.00 0.78 H new ATOM 0 HD3 LYS A 52 6.689 1.559 10.857 1.00 0.78 H new ATOM 0 HE2 LYS A 52 9.118 1.163 10.276 1.00 1.02 H new ATOM 0 HE3 LYS A 52 9.456 2.808 10.777 1.00 1.02 H new ATOM 0 HZ1 LYS A 52 9.836 1.248 12.581 1.00 1.40 H new ATOM 0 HZ2 LYS A 52 8.558 2.294 12.978 1.00 1.40 H new ATOM 0 HZ3 LYS A 52 8.232 0.700 12.493 1.00 1.40 H new ATOM 801 N VAL A 53 5.222 6.175 8.063 1.00 0.34 N ATOM 802 CA VAL A 53 4.540 7.106 7.189 1.00 0.32 C ATOM 803 C VAL A 53 4.768 8.534 7.604 1.00 0.33 C ATOM 804 O VAL A 53 4.143 9.079 8.518 1.00 0.37 O ATOM 805 CB VAL A 53 3.032 6.767 7.118 1.00 0.32 C ATOM 806 CG1 VAL A 53 2.191 7.856 6.468 1.00 0.34 C ATOM 807 CG2 VAL A 53 2.847 5.494 6.343 1.00 0.35 C ATOM 0 H VAL A 53 4.677 5.330 8.231 1.00 0.34 H new ATOM 0 HA VAL A 53 4.962 7.002 6.189 1.00 0.32 H new ATOM 0 HB VAL A 53 2.689 6.667 8.148 1.00 0.32 H new ATOM 0 HG11 VAL A 53 1.145 7.548 6.453 1.00 0.34 H new ATOM 0 HG12 VAL A 53 2.289 8.780 7.037 1.00 0.34 H new ATOM 0 HG13 VAL A 53 2.535 8.021 5.447 1.00 0.34 H new ATOM 0 HG21 VAL A 53 1.786 5.251 6.290 1.00 0.35 H new ATOM 0 HG22 VAL A 53 3.241 5.622 5.335 1.00 0.35 H new ATOM 0 HG23 VAL A 53 3.380 4.684 6.841 1.00 0.35 H new ATOM 817 N GLY A 54 5.739 9.076 6.934 1.00 0.35 N ATOM 818 CA GLY A 54 6.117 10.454 7.119 1.00 0.41 C ATOM 819 C GLY A 54 6.764 11.054 5.888 1.00 0.44 C ATOM 820 O GLY A 54 6.110 11.219 4.868 1.00 0.70 O ATOM 0 H GLY A 54 6.297 8.578 6.240 1.00 0.35 H new ATOM 0 HA2 GLY A 54 5.234 11.037 7.380 1.00 0.41 H new ATOM 0 HA3 GLY A 54 6.807 10.527 7.959 1.00 0.41 H new ATOM 824 N GLN A 55 8.053 11.358 5.968 1.00 0.36 N ATOM 825 CA GLN A 55 8.706 12.137 4.918 1.00 0.43 C ATOM 826 C GLN A 55 9.420 11.271 3.874 1.00 0.39 C ATOM 827 O GLN A 55 9.580 11.691 2.733 1.00 0.50 O ATOM 828 CB GLN A 55 9.675 13.142 5.541 1.00 0.61 C ATOM 829 CG GLN A 55 9.011 14.089 6.536 1.00 1.43 C ATOM 830 CD GLN A 55 8.086 15.116 5.894 1.00 2.08 C ATOM 831 OE1 GLN A 55 7.900 16.202 6.430 1.00 2.75 O ATOM 832 NE2 GLN A 55 7.499 14.794 4.752 1.00 2.69 N ATOM 0 H GLN A 55 8.663 11.082 6.738 1.00 0.36 H new ATOM 0 HA GLN A 55 7.919 12.668 4.382 1.00 0.43 H new ATOM 0 HB2 GLN A 55 10.475 12.599 6.046 1.00 0.61 H new ATOM 0 HB3 GLN A 55 10.139 13.728 4.747 1.00 0.61 H new ATOM 0 HG2 GLN A 55 8.441 13.502 7.255 1.00 1.43 H new ATOM 0 HG3 GLN A 55 9.786 14.613 7.095 1.00 1.43 H new ATOM 0 HE21 GLN A 55 7.673 13.882 4.329 1.00 2.69 H new ATOM 0 HE22 GLN A 55 6.873 15.458 4.295 1.00 2.69 H new ATOM 841 N HIS A 56 9.866 10.079 4.251 1.00 0.36 N ATOM 842 CA HIS A 56 10.513 9.190 3.278 1.00 0.41 C ATOM 843 C HIS A 56 9.504 8.205 2.705 1.00 0.35 C ATOM 844 O HIS A 56 9.549 7.850 1.537 1.00 0.42 O ATOM 845 CB HIS A 56 11.705 8.455 3.909 1.00 0.54 C ATOM 846 CG HIS A 56 11.350 7.269 4.753 1.00 0.58 C ATOM 847 ND1 HIS A 56 11.247 5.996 4.238 1.00 0.87 N ATOM 848 CD2 HIS A 56 11.055 7.167 6.068 1.00 1.06 C ATOM 849 CE1 HIS A 56 10.895 5.163 5.198 1.00 1.11 C ATOM 850 NE2 HIS A 56 10.775 5.846 6.323 1.00 1.33 N ATOM 0 H HIS A 56 9.797 9.707 5.198 1.00 0.36 H new ATOM 0 HA HIS A 56 10.897 9.800 2.460 1.00 0.41 H new ATOM 0 HB2 HIS A 56 12.372 8.127 3.112 1.00 0.54 H new ATOM 0 HB3 HIS A 56 12.264 9.162 4.522 1.00 0.54 H new ATOM 0 HD2 HIS A 56 11.042 7.974 6.785 1.00 1.06 H new ATOM 0 HE1 HIS A 56 10.732 4.101 5.084 1.00 1.11 H new ATOM 0 HE2 HIS A 56 10.517 5.457 7.230 1.00 1.33 H new ATOM 859 N LEU A 57 8.605 7.780 3.557 1.00 0.28 N ATOM 860 CA LEU A 57 7.473 6.962 3.180 1.00 0.25 C ATOM 861 C LEU A 57 6.244 7.751 3.551 1.00 0.23 C ATOM 862 O LEU A 57 5.913 7.866 4.712 1.00 0.29 O ATOM 863 CB LEU A 57 7.560 5.611 3.963 1.00 0.38 C ATOM 864 CG LEU A 57 6.356 4.626 4.054 1.00 0.28 C ATOM 865 CD1 LEU A 57 6.053 4.333 5.504 1.00 1.11 C ATOM 866 CD2 LEU A 57 5.095 5.100 3.343 1.00 1.10 C ATOM 0 H LEU A 57 8.638 7.996 4.553 1.00 0.28 H new ATOM 0 HA LEU A 57 7.449 6.724 2.117 1.00 0.25 H new ATOM 0 HB2 LEU A 57 8.391 5.052 3.532 1.00 0.38 H new ATOM 0 HB3 LEU A 57 7.840 5.859 4.987 1.00 0.38 H new ATOM 0 HG LEU A 57 6.665 3.722 3.529 1.00 0.28 H new ATOM 0 HD11 LEU A 57 5.211 3.644 5.568 1.00 1.11 H new ATOM 0 HD12 LEU A 57 6.927 3.882 5.974 1.00 1.11 H new ATOM 0 HD13 LEU A 57 5.802 5.261 6.018 1.00 1.11 H new ATOM 0 HD21 LEU A 57 4.310 4.353 3.458 1.00 1.10 H new ATOM 0 HD22 LEU A 57 4.765 6.044 3.778 1.00 1.10 H new ATOM 0 HD23 LEU A 57 5.307 5.243 2.283 1.00 1.10 H new ATOM 878 N GLN A 58 5.587 8.299 2.565 1.00 0.20 N ATOM 879 CA GLN A 58 4.275 8.796 2.737 1.00 0.21 C ATOM 880 C GLN A 58 3.343 7.735 2.229 1.00 0.18 C ATOM 881 O GLN A 58 3.352 7.388 1.052 1.00 0.19 O ATOM 882 CB GLN A 58 4.054 10.076 1.924 1.00 0.27 C ATOM 883 CG GLN A 58 5.100 11.152 2.133 1.00 0.46 C ATOM 884 CD GLN A 58 6.301 11.033 1.217 1.00 0.32 C ATOM 885 OE1 GLN A 58 6.315 11.579 0.112 1.00 0.76 O ATOM 886 NE2 GLN A 58 7.326 10.344 1.677 1.00 0.28 N ATOM 0 H GLN A 58 5.960 8.407 1.622 1.00 0.20 H new ATOM 0 HA GLN A 58 4.102 9.033 3.787 1.00 0.21 H new ATOM 0 HB2 GLN A 58 4.027 9.817 0.866 1.00 0.27 H new ATOM 0 HB3 GLN A 58 3.076 10.486 2.177 1.00 0.27 H new ATOM 0 HG2 GLN A 58 4.637 12.127 1.983 1.00 0.46 H new ATOM 0 HG3 GLN A 58 5.441 11.116 3.168 1.00 0.46 H new ATOM 0 HE21 GLN A 58 7.275 9.907 2.597 1.00 0.28 H new ATOM 0 HE22 GLN A 58 8.170 10.248 1.113 1.00 0.28 H new ATOM 895 N LEU A 59 2.572 7.219 3.119 1.00 0.20 N ATOM 896 CA LEU A 59 1.450 6.404 2.763 1.00 0.20 C ATOM 897 C LEU A 59 0.312 7.389 2.680 1.00 0.21 C ATOM 898 O LEU A 59 -0.321 7.740 3.673 1.00 0.23 O ATOM 899 CB LEU A 59 1.208 5.310 3.827 1.00 0.23 C ATOM 900 CG LEU A 59 0.279 4.150 3.478 1.00 0.23 C ATOM 901 CD1 LEU A 59 -0.012 3.398 4.756 1.00 0.26 C ATOM 902 CD2 LEU A 59 -0.983 4.635 2.794 1.00 0.23 C ATOM 0 H LEU A 59 2.697 7.347 4.123 1.00 0.20 H new ATOM 0 HA LEU A 59 1.585 5.859 1.829 1.00 0.20 H new ATOM 0 HB2 LEU A 59 2.177 4.890 4.097 1.00 0.23 H new ATOM 0 HB3 LEU A 59 0.812 5.796 4.719 1.00 0.23 H new ATOM 0 HG LEU A 59 0.758 3.481 2.763 1.00 0.23 H new ATOM 0 HD11 LEU A 59 -0.675 2.560 4.542 1.00 0.26 H new ATOM 0 HD12 LEU A 59 0.921 3.024 5.178 1.00 0.26 H new ATOM 0 HD13 LEU A 59 -0.492 4.067 5.471 1.00 0.26 H new ATOM 0 HD21 LEU A 59 -1.621 3.783 2.560 1.00 0.23 H new ATOM 0 HD22 LEU A 59 -1.517 5.317 3.456 1.00 0.23 H new ATOM 0 HD23 LEU A 59 -0.721 5.155 1.873 1.00 0.23 H new ATOM 914 N HIS A 60 0.124 7.878 1.489 1.00 0.22 N ATOM 915 CA HIS A 60 -0.793 8.908 1.209 1.00 0.25 C ATOM 916 C HIS A 60 -2.093 8.320 0.824 1.00 0.24 C ATOM 917 O HIS A 60 -2.230 7.143 0.511 1.00 0.26 O ATOM 918 CB HIS A 60 -0.300 9.817 0.090 1.00 0.37 C ATOM 919 CG HIS A 60 -0.154 11.259 0.465 1.00 0.79 C ATOM 920 ND1 HIS A 60 -0.024 12.266 -0.472 1.00 1.48 N ATOM 921 CD2 HIS A 60 -0.096 11.864 1.675 1.00 1.65 C ATOM 922 CE1 HIS A 60 0.109 13.424 0.146 1.00 1.91 C ATOM 923 NE2 HIS A 60 0.066 13.210 1.447 1.00 2.03 N ATOM 0 H HIS A 60 0.630 7.549 0.667 1.00 0.22 H new ATOM 0 HA HIS A 60 -0.901 9.512 2.110 1.00 0.25 H new ATOM 0 HB2 HIS A 60 0.665 9.448 -0.259 1.00 0.37 H new ATOM 0 HB3 HIS A 60 -0.992 9.743 -0.749 1.00 0.37 H new ATOM 0 HD1 HIS A 60 -0.030 12.135 -1.483 1.00 1.48 H new ATOM 0 HD2 HIS A 60 -0.164 11.380 2.638 1.00 1.65 H new ATOM 0 HE1 HIS A 60 0.232 14.384 -0.332 1.00 1.91 H new ATOM 932 N ASP A 61 -3.014 9.173 0.876 1.00 0.29 N ATOM 933 CA ASP A 61 -4.374 8.872 0.643 1.00 0.32 C ATOM 934 C ASP A 61 -4.996 9.937 -0.206 1.00 0.35 C ATOM 935 O ASP A 61 -5.026 11.119 0.127 1.00 0.48 O ATOM 936 CB ASP A 61 -5.147 8.732 1.932 1.00 0.44 C ATOM 937 CG ASP A 61 -4.920 9.880 2.906 1.00 0.54 C ATOM 938 OD1 ASP A 61 -3.790 10.020 3.428 1.00 0.73 O ATOM 939 OD2 ASP A 61 -5.876 10.647 3.156 1.00 0.92 O ATOM 0 H ASP A 61 -2.847 10.156 1.092 1.00 0.29 H new ATOM 0 HA ASP A 61 -4.415 7.915 0.123 1.00 0.32 H new ATOM 0 HB2 ASP A 61 -6.211 8.666 1.703 1.00 0.44 H new ATOM 0 HB3 ASP A 61 -4.866 7.796 2.415 1.00 0.44 H new ATOM 944 N SER A 62 -5.421 9.487 -1.329 1.00 0.29 N ATOM 945 CA SER A 62 -6.245 10.267 -2.212 1.00 0.32 C ATOM 946 C SER A 62 -7.660 9.790 -2.025 1.00 0.32 C ATOM 947 O SER A 62 -7.895 8.600 -1.834 1.00 0.41 O ATOM 948 CB SER A 62 -5.831 10.113 -3.669 1.00 0.40 C ATOM 949 OG SER A 62 -4.448 9.819 -3.783 1.00 0.47 O ATOM 0 H SER A 62 -5.209 8.552 -1.677 1.00 0.29 H new ATOM 0 HA SER A 62 -6.140 11.325 -1.971 1.00 0.32 H new ATOM 0 HB2 SER A 62 -6.414 9.317 -4.133 1.00 0.40 H new ATOM 0 HB3 SER A 62 -6.056 11.031 -4.212 1.00 0.40 H new ATOM 0 HG SER A 62 -4.276 8.917 -3.441 1.00 0.47 H new ATOM 955 N TYR A 63 -8.590 10.695 -2.068 1.00 0.38 N ATOM 956 CA TYR A 63 -9.951 10.359 -1.783 1.00 0.45 C ATOM 957 C TYR A 63 -10.877 11.031 -2.747 1.00 0.47 C ATOM 958 O TYR A 63 -11.215 12.213 -2.635 1.00 0.54 O ATOM 959 CB TYR A 63 -10.289 10.680 -0.335 1.00 0.64 C ATOM 960 CG TYR A 63 -11.763 10.842 -0.028 1.00 0.63 C ATOM 961 CD1 TYR A 63 -12.667 9.849 -0.383 1.00 0.84 C ATOM 962 CD2 TYR A 63 -12.253 11.974 0.609 1.00 0.87 C ATOM 963 CE1 TYR A 63 -14.013 9.977 -0.111 1.00 1.05 C ATOM 964 CE2 TYR A 63 -13.600 12.108 0.886 1.00 1.06 C ATOM 965 CZ TYR A 63 -14.465 11.174 0.542 1.00 1.07 C ATOM 966 OH TYR A 63 -15.818 11.236 0.800 1.00 1.39 O ATOM 0 H TYR A 63 -8.430 11.676 -2.299 1.00 0.38 H new ATOM 0 HA TYR A 63 -10.083 9.285 -1.913 1.00 0.45 H new ATOM 0 HB2 TYR A 63 -9.890 9.887 0.297 1.00 0.64 H new ATOM 0 HB3 TYR A 63 -9.775 11.600 -0.056 1.00 0.64 H new ATOM 0 HD1 TYR A 63 -12.309 8.960 -0.881 1.00 0.84 H new ATOM 0 HD2 TYR A 63 -11.571 12.762 0.892 1.00 0.87 H new ATOM 0 HE1 TYR A 63 -14.709 9.197 -0.382 1.00 1.05 H new ATOM 0 HE2 TYR A 63 -13.951 12.994 1.394 1.00 1.06 H new ATOM 0 HH TYR A 63 -16.028 12.084 1.245 1.00 1.39 H new ATOM 976 N ASP A 64 -11.255 10.253 -3.720 1.00 0.47 N ATOM 977 CA ASP A 64 -12.171 10.679 -4.715 1.00 0.57 C ATOM 978 C ASP A 64 -13.443 9.885 -4.606 1.00 0.57 C ATOM 979 O ASP A 64 -13.499 8.709 -4.957 1.00 0.63 O ATOM 980 CB ASP A 64 -11.566 10.473 -6.062 1.00 0.71 C ATOM 981 CG ASP A 64 -10.370 11.362 -6.326 1.00 1.53 C ATOM 982 OD1 ASP A 64 -9.246 10.956 -5.971 1.00 2.42 O ATOM 983 OD2 ASP A 64 -10.549 12.468 -6.884 1.00 2.00 O ATOM 0 H ASP A 64 -10.926 9.295 -3.838 1.00 0.47 H new ATOM 0 HA ASP A 64 -12.396 11.736 -4.574 1.00 0.57 H new ATOM 0 HB2 ASP A 64 -11.263 9.431 -6.161 1.00 0.71 H new ATOM 0 HB3 ASP A 64 -12.323 10.659 -6.824 1.00 0.71 H new ATOM 988 N ARG A 65 -14.446 10.530 -4.096 1.00 0.60 N ATOM 989 CA ARG A 65 -15.743 9.921 -3.918 1.00 0.64 C ATOM 990 C ARG A 65 -16.467 9.794 -5.249 1.00 0.74 C ATOM 991 O ARG A 65 -17.261 8.877 -5.453 1.00 0.88 O ATOM 992 CB ARG A 65 -16.576 10.739 -2.941 1.00 0.74 C ATOM 993 CG ARG A 65 -17.156 9.890 -1.843 1.00 0.86 C ATOM 994 CD ARG A 65 -17.907 8.720 -2.439 1.00 1.00 C ATOM 995 NE ARG A 65 -19.351 8.808 -2.233 1.00 1.19 N ATOM 996 CZ ARG A 65 -20.258 8.401 -3.123 1.00 1.80 C ATOM 997 NH1 ARG A 65 -19.869 8.026 -4.339 1.00 2.46 N ATOM 998 NH2 ARG A 65 -21.547 8.395 -2.803 1.00 2.07 N ATOM 0 H ARG A 65 -14.395 11.501 -3.787 1.00 0.60 H new ATOM 0 HA ARG A 65 -15.600 8.920 -3.510 1.00 0.64 H new ATOM 0 HB2 ARG A 65 -15.956 11.522 -2.504 1.00 0.74 H new ATOM 0 HB3 ARG A 65 -17.383 11.235 -3.480 1.00 0.74 H new ATOM 0 HG2 ARG A 65 -16.360 9.529 -1.192 1.00 0.86 H new ATOM 0 HG3 ARG A 65 -17.827 10.487 -1.225 1.00 0.86 H new ATOM 0 HD2 ARG A 65 -17.700 8.668 -3.508 1.00 1.00 H new ATOM 0 HD3 ARG A 65 -17.538 7.794 -1.997 1.00 1.00 H new ATOM 0 HE ARG A 65 -19.686 9.205 -1.355 1.00 1.19 H new ATOM 0 HH11 ARG A 65 -18.880 8.050 -4.588 1.00 2.46 H new ATOM 0 HH12 ARG A 65 -20.560 7.714 -5.022 1.00 2.46 H new ATOM 0 HH21 ARG A 65 -21.844 8.702 -1.877 1.00 2.07 H new ATOM 0 HH22 ARG A 65 -22.240 8.084 -3.484 1.00 2.07 H new ATOM 1012 N ALA A 66 -16.170 10.716 -6.143 1.00 0.80 N ATOM 1013 CA ALA A 66 -16.766 10.730 -7.471 1.00 0.93 C ATOM 1014 C ALA A 66 -16.368 9.494 -8.257 1.00 0.83 C ATOM 1015 O ALA A 66 -17.156 8.945 -9.026 1.00 0.92 O ATOM 1016 CB ALA A 66 -16.368 11.992 -8.218 1.00 1.15 C ATOM 0 H ALA A 66 -15.511 11.476 -5.974 1.00 0.80 H new ATOM 0 HA ALA A 66 -17.850 10.722 -7.358 1.00 0.93 H new ATOM 0 HB1 ALA A 66 -16.822 11.987 -9.209 1.00 1.15 H new ATOM 0 HB2 ALA A 66 -16.713 12.866 -7.665 1.00 1.15 H new ATOM 0 HB3 ALA A 66 -15.283 12.030 -8.316 1.00 1.15 H new ATOM 1022 N SER A 67 -15.147 9.049 -8.040 1.00 0.72 N ATOM 1023 CA SER A 67 -14.659 7.842 -8.676 1.00 0.72 C ATOM 1024 C SER A 67 -14.764 6.675 -7.714 1.00 0.58 C ATOM 1025 O SER A 67 -14.620 5.521 -8.113 1.00 0.63 O ATOM 1026 CB SER A 67 -13.222 8.030 -9.157 1.00 0.83 C ATOM 1027 OG SER A 67 -12.391 8.508 -8.114 1.00 1.41 O ATOM 0 H SER A 67 -14.473 9.506 -7.426 1.00 0.72 H new ATOM 0 HA SER A 67 -15.275 7.627 -9.549 1.00 0.72 H new ATOM 0 HB2 SER A 67 -12.834 7.082 -9.530 1.00 0.83 H new ATOM 0 HB3 SER A 67 -13.204 8.732 -9.991 1.00 0.83 H new ATOM 0 HG SER A 67 -11.476 8.618 -8.449 1.00 1.41 H new ATOM 1033 N LYS A 68 -15.017 6.996 -6.441 1.00 0.50 N ATOM 1034 CA LYS A 68 -15.221 5.985 -5.413 1.00 0.50 C ATOM 1035 C LYS A 68 -13.917 5.230 -5.173 1.00 0.44 C ATOM 1036 O LYS A 68 -13.906 4.045 -4.865 1.00 0.59 O ATOM 1037 CB LYS A 68 -16.330 5.031 -5.858 1.00 0.70 C ATOM 1038 CG LYS A 68 -16.762 4.025 -4.814 1.00 0.66 C ATOM 1039 CD LYS A 68 -17.655 2.964 -5.418 1.00 1.38 C ATOM 1040 CE LYS A 68 -17.264 1.582 -4.934 1.00 2.27 C ATOM 1041 NZ LYS A 68 -18.006 0.517 -5.656 1.00 3.31 N ATOM 0 H LYS A 68 -15.085 7.956 -6.102 1.00 0.50 H new ATOM 0 HA LYS A 68 -15.521 6.458 -4.478 1.00 0.50 H new ATOM 0 HB2 LYS A 68 -17.198 5.620 -6.155 1.00 0.70 H new ATOM 0 HB3 LYS A 68 -15.992 4.492 -6.743 1.00 0.70 H new ATOM 0 HG2 LYS A 68 -15.884 3.556 -4.371 1.00 0.66 H new ATOM 0 HG3 LYS A 68 -17.291 4.536 -4.009 1.00 0.66 H new ATOM 0 HD2 LYS A 68 -18.693 3.165 -5.154 1.00 1.38 H new ATOM 0 HD3 LYS A 68 -17.589 3.004 -6.505 1.00 1.38 H new ATOM 0 HE2 LYS A 68 -16.193 1.437 -5.073 1.00 2.27 H new ATOM 0 HE3 LYS A 68 -17.460 1.502 -3.865 1.00 2.27 H new ATOM 0 HZ1 LYS A 68 -17.427 -0.346 -5.692 1.00 3.31 H new ATOM 0 HZ2 LYS A 68 -18.897 0.316 -5.158 1.00 3.31 H new ATOM 0 HZ3 LYS A 68 -18.214 0.834 -6.624 1.00 3.31 H new ATOM 1055 N VAL A 69 -12.813 5.932 -5.303 1.00 0.34 N ATOM 1056 CA VAL A 69 -11.519 5.338 -5.093 1.00 0.31 C ATOM 1057 C VAL A 69 -10.747 6.147 -4.083 1.00 0.29 C ATOM 1058 O VAL A 69 -10.625 7.368 -4.201 1.00 0.35 O ATOM 1059 CB VAL A 69 -10.662 5.282 -6.374 1.00 0.34 C ATOM 1060 CG1 VAL A 69 -9.511 4.298 -6.209 1.00 0.38 C ATOM 1061 CG2 VAL A 69 -11.494 4.939 -7.601 1.00 0.43 C ATOM 0 H VAL A 69 -12.790 6.920 -5.555 1.00 0.34 H new ATOM 0 HA VAL A 69 -11.707 4.320 -4.752 1.00 0.31 H new ATOM 0 HB VAL A 69 -10.248 6.278 -6.532 1.00 0.34 H new ATOM 0 HG11 VAL A 69 -8.919 4.274 -7.124 1.00 0.38 H new ATOM 0 HG12 VAL A 69 -8.881 4.612 -5.377 1.00 0.38 H new ATOM 0 HG13 VAL A 69 -9.909 3.303 -6.008 1.00 0.38 H new ATOM 0 HG21 VAL A 69 -10.851 4.910 -8.480 1.00 0.43 H new ATOM 0 HG22 VAL A 69 -11.963 3.965 -7.462 1.00 0.43 H new ATOM 0 HG23 VAL A 69 -12.266 5.696 -7.741 1.00 0.43 H new ATOM 1071 N TYR A 70 -10.249 5.465 -3.094 1.00 0.25 N ATOM 1072 CA TYR A 70 -9.208 6.006 -2.282 1.00 0.25 C ATOM 1073 C TYR A 70 -7.937 5.477 -2.855 1.00 0.22 C ATOM 1074 O TYR A 70 -7.708 4.266 -2.880 1.00 0.26 O ATOM 1075 CB TYR A 70 -9.241 5.587 -0.818 1.00 0.31 C ATOM 1076 CG TYR A 70 -10.583 5.635 -0.133 1.00 0.41 C ATOM 1077 CD1 TYR A 70 -11.135 6.848 0.247 1.00 0.97 C ATOM 1078 CD2 TYR A 70 -11.318 4.479 0.091 1.00 1.09 C ATOM 1079 CE1 TYR A 70 -12.377 6.909 0.839 1.00 0.99 C ATOM 1080 CE2 TYR A 70 -12.567 4.534 0.678 1.00 1.24 C ATOM 1081 CZ TYR A 70 -13.016 5.698 1.204 1.00 0.76 C ATOM 1082 OH TYR A 70 -14.336 5.814 1.636 1.00 0.93 O ATOM 0 H TYR A 70 -10.552 4.527 -2.832 1.00 0.25 H new ATOM 0 HA TYR A 70 -9.317 7.091 -2.290 1.00 0.25 H new ATOM 0 HB2 TYR A 70 -8.858 4.569 -0.746 1.00 0.31 H new ATOM 0 HB3 TYR A 70 -8.553 6.226 -0.265 1.00 0.31 H new ATOM 0 HD1 TYR A 70 -10.582 7.760 0.076 1.00 0.97 H new ATOM 0 HD2 TYR A 70 -10.907 3.523 -0.198 1.00 1.09 H new ATOM 0 HE1 TYR A 70 -12.854 7.860 1.021 1.00 0.99 H new ATOM 0 HE2 TYR A 70 -13.185 3.649 0.717 1.00 1.24 H new ATOM 0 HH TYR A 70 -14.685 4.927 1.862 1.00 0.93 H new ATOM 1092 N LEU A 71 -7.135 6.352 -3.340 1.00 0.20 N ATOM 1093 CA LEU A 71 -5.844 5.947 -3.783 1.00 0.19 C ATOM 1094 C LEU A 71 -4.897 6.156 -2.654 1.00 0.20 C ATOM 1095 O LEU A 71 -4.497 7.275 -2.346 1.00 0.22 O ATOM 1096 CB LEU A 71 -5.339 6.703 -5.007 1.00 0.25 C ATOM 1097 CG LEU A 71 -3.855 6.443 -5.304 1.00 0.31 C ATOM 1098 CD1 LEU A 71 -3.620 4.971 -5.608 1.00 0.27 C ATOM 1099 CD2 LEU A 71 -3.350 7.313 -6.438 1.00 0.52 C ATOM 0 H LEU A 71 -7.342 7.346 -3.442 1.00 0.20 H new ATOM 0 HA LEU A 71 -5.913 4.902 -4.086 1.00 0.19 H new ATOM 0 HB2 LEU A 71 -5.933 6.416 -5.875 1.00 0.25 H new ATOM 0 HB3 LEU A 71 -5.492 7.772 -4.855 1.00 0.25 H new ATOM 0 HG LEU A 71 -3.289 6.708 -4.411 1.00 0.31 H new ATOM 0 HD11 LEU A 71 -2.563 4.807 -5.816 1.00 0.27 H new ATOM 0 HD12 LEU A 71 -3.919 4.370 -4.749 1.00 0.27 H new ATOM 0 HD13 LEU A 71 -4.210 4.680 -6.477 1.00 0.27 H new ATOM 0 HD21 LEU A 71 -2.296 7.100 -6.618 1.00 0.52 H new ATOM 0 HD22 LEU A 71 -3.923 7.102 -7.341 1.00 0.52 H new ATOM 0 HD23 LEU A 71 -3.467 8.363 -6.171 1.00 0.52 H new ATOM 1111 N PHE A 72 -4.550 5.077 -2.046 1.00 0.20 N ATOM 1112 CA PHE A 72 -3.508 5.084 -1.095 1.00 0.21 C ATOM 1113 C PHE A 72 -2.227 4.978 -1.878 1.00 0.23 C ATOM 1114 O PHE A 72 -1.918 3.958 -2.491 1.00 0.27 O ATOM 1115 CB PHE A 72 -3.667 3.934 -0.130 1.00 0.25 C ATOM 1116 CG PHE A 72 -4.877 4.034 0.765 1.00 0.25 C ATOM 1117 CD1 PHE A 72 -4.838 4.781 1.936 1.00 0.31 C ATOM 1118 CD2 PHE A 72 -6.052 3.381 0.433 1.00 0.28 C ATOM 1119 CE1 PHE A 72 -5.951 4.872 2.752 1.00 0.33 C ATOM 1120 CE2 PHE A 72 -7.167 3.469 1.246 1.00 0.30 C ATOM 1121 CZ PHE A 72 -7.100 4.223 2.428 1.00 0.30 C ATOM 0 H PHE A 72 -4.984 4.166 -2.198 1.00 0.20 H new ATOM 0 HA PHE A 72 -3.516 5.992 -0.493 1.00 0.21 H new ATOM 0 HB2 PHE A 72 -3.726 3.005 -0.697 1.00 0.25 H new ATOM 0 HB3 PHE A 72 -2.774 3.872 0.492 1.00 0.25 H new ATOM 0 HD1 PHE A 72 -3.929 5.296 2.212 1.00 0.31 H new ATOM 0 HD2 PHE A 72 -6.098 2.795 -0.473 1.00 0.28 H new ATOM 0 HE1 PHE A 72 -5.906 5.464 3.654 1.00 0.33 H new ATOM 0 HE2 PHE A 72 -8.081 2.962 0.974 1.00 0.30 H new ATOM 0 HZ PHE A 72 -7.960 4.287 3.078 1.00 0.30 H new ATOM 1131 N GLU A 73 -1.519 6.051 -1.857 1.00 0.22 N ATOM 1132 CA GLU A 73 -0.333 6.209 -2.656 1.00 0.26 C ATOM 1133 C GLU A 73 0.865 6.323 -1.783 1.00 0.20 C ATOM 1134 O GLU A 73 0.967 7.190 -0.921 1.00 0.27 O ATOM 1135 CB GLU A 73 -0.402 7.415 -3.588 1.00 0.42 C ATOM 1136 CG GLU A 73 -0.969 8.676 -2.945 1.00 0.59 C ATOM 1137 CD GLU A 73 -0.618 9.941 -3.712 1.00 0.75 C ATOM 1138 OE1 GLU A 73 -1.184 10.149 -4.810 1.00 1.09 O ATOM 1139 OE2 GLU A 73 0.219 10.727 -3.234 1.00 1.32 O ATOM 0 H GLU A 73 -1.742 6.862 -1.279 1.00 0.22 H new ATOM 0 HA GLU A 73 -0.258 5.319 -3.281 1.00 0.26 H new ATOM 0 HB2 GLU A 73 0.600 7.630 -3.959 1.00 0.42 H new ATOM 0 HB3 GLU A 73 -1.013 7.156 -4.453 1.00 0.42 H new ATOM 0 HG2 GLU A 73 -2.053 8.587 -2.878 1.00 0.59 H new ATOM 0 HG3 GLU A 73 -0.592 8.759 -1.926 1.00 0.59 H new ATOM 1146 N LEU A 74 1.768 5.442 -2.012 1.00 0.21 N ATOM 1147 CA LEU A 74 2.986 5.441 -1.295 1.00 0.21 C ATOM 1148 C LEU A 74 3.968 6.248 -2.045 1.00 0.20 C ATOM 1149 O LEU A 74 4.181 6.069 -3.245 1.00 0.25 O ATOM 1150 CB LEU A 74 3.569 4.057 -1.127 1.00 0.27 C ATOM 1151 CG LEU A 74 2.683 3.055 -0.417 1.00 0.27 C ATOM 1152 CD1 LEU A 74 3.512 2.166 0.471 1.00 0.85 C ATOM 1153 CD2 LEU A 74 1.581 3.741 0.376 1.00 0.96 C ATOM 0 H LEU A 74 1.682 4.699 -2.705 1.00 0.21 H new ATOM 0 HA LEU A 74 2.778 5.845 -0.304 1.00 0.21 H new ATOM 0 HB2 LEU A 74 3.814 3.663 -2.113 1.00 0.27 H new ATOM 0 HB3 LEU A 74 4.506 4.141 -0.576 1.00 0.27 H new ATOM 0 HG LEU A 74 2.198 2.439 -1.174 1.00 0.27 H new ATOM 0 HD11 LEU A 74 2.864 1.450 0.976 1.00 0.85 H new ATOM 0 HD12 LEU A 74 4.244 1.630 -0.133 1.00 0.85 H new ATOM 0 HD13 LEU A 74 4.029 2.774 1.213 1.00 0.85 H new ATOM 0 HD21 LEU A 74 0.967 2.989 0.871 1.00 0.96 H new ATOM 0 HD22 LEU A 74 2.026 4.396 1.125 1.00 0.96 H new ATOM 0 HD23 LEU A 74 0.960 4.330 -0.299 1.00 0.96 H new ATOM 1165 N HIS A 75 4.573 7.101 -1.329 1.00 0.18 N ATOM 1166 CA HIS A 75 5.716 7.769 -1.827 1.00 0.19 C ATOM 1167 C HIS A 75 6.785 7.344 -0.895 1.00 0.19 C ATOM 1168 O HIS A 75 6.937 7.895 0.190 1.00 0.19 O ATOM 1169 CB HIS A 75 5.552 9.292 -1.821 1.00 0.23 C ATOM 1170 CG HIS A 75 4.529 9.820 -2.784 1.00 0.39 C ATOM 1171 ND1 HIS A 75 4.778 10.862 -3.645 1.00 1.01 N ATOM 1172 CD2 HIS A 75 3.239 9.467 -2.997 1.00 1.15 C ATOM 1173 CE1 HIS A 75 3.690 11.128 -4.342 1.00 0.88 C ATOM 1174 NE2 HIS A 75 2.739 10.296 -3.969 1.00 0.94 N ATOM 0 H HIS A 75 4.298 7.362 -0.382 1.00 0.18 H new ATOM 0 HA HIS A 75 5.920 7.521 -2.869 1.00 0.19 H new ATOM 0 HB2 HIS A 75 5.281 9.610 -0.814 1.00 0.23 H new ATOM 0 HB3 HIS A 75 6.515 9.748 -2.050 1.00 0.23 H new ATOM 0 HD2 HIS A 75 2.702 8.677 -2.493 1.00 1.15 H new ATOM 0 HE1 HIS A 75 3.595 11.899 -5.093 1.00 0.88 H new ATOM 0 HE2 HIS A 75 1.789 10.272 -4.341 1.00 0.94 H new ATOM 1183 N ILE A 76 7.493 6.329 -1.296 1.00 0.21 N ATOM 1184 CA ILE A 76 8.496 5.783 -0.453 1.00 0.23 C ATOM 1185 C ILE A 76 9.807 5.858 -1.162 1.00 0.25 C ATOM 1186 O ILE A 76 10.140 5.064 -2.020 1.00 0.28 O ATOM 1187 CB ILE A 76 8.183 4.342 -0.070 1.00 0.27 C ATOM 1188 CG1 ILE A 76 6.811 4.244 0.622 1.00 0.29 C ATOM 1189 CG2 ILE A 76 9.286 3.770 0.821 1.00 0.29 C ATOM 1190 CD1 ILE A 76 6.579 2.907 1.275 1.00 0.52 C ATOM 0 H ILE A 76 7.389 5.869 -2.200 1.00 0.21 H new ATOM 0 HA ILE A 76 8.534 6.360 0.471 1.00 0.23 H new ATOM 0 HB ILE A 76 8.141 3.748 -0.983 1.00 0.27 H new ATOM 0 HG12 ILE A 76 6.732 5.029 1.374 1.00 0.29 H new ATOM 0 HG13 ILE A 76 6.026 4.426 -0.112 1.00 0.29 H new ATOM 0 HG21 ILE A 76 9.044 2.740 1.084 1.00 0.29 H new ATOM 0 HG22 ILE A 76 10.235 3.795 0.286 1.00 0.29 H new ATOM 0 HG23 ILE A 76 9.366 4.367 1.729 1.00 0.29 H new ATOM 0 HD11 ILE A 76 5.596 2.898 1.746 1.00 0.52 H new ATOM 0 HD12 ILE A 76 6.628 2.121 0.522 1.00 0.52 H new ATOM 0 HD13 ILE A 76 7.345 2.733 2.031 1.00 0.52 H new ATOM 1202 N THR A 77 10.541 6.826 -0.794 1.00 0.24 N ATOM 1203 CA THR A 77 11.753 7.102 -1.413 1.00 0.26 C ATOM 1204 C THR A 77 12.877 6.659 -0.547 1.00 0.36 C ATOM 1205 O THR A 77 12.720 6.352 0.641 1.00 0.58 O ATOM 1206 CB THR A 77 11.897 8.588 -1.740 1.00 0.32 C ATOM 1207 OG1 THR A 77 11.817 9.373 -0.542 1.00 0.41 O ATOM 1208 CG2 THR A 77 10.814 8.999 -2.718 1.00 0.37 C ATOM 0 H THR A 77 10.304 7.462 -0.033 1.00 0.24 H new ATOM 0 HA THR A 77 11.779 6.553 -2.354 1.00 0.26 H new ATOM 0 HB THR A 77 12.872 8.762 -2.196 1.00 0.32 H new ATOM 0 HG1 THR A 77 12.660 9.301 -0.047 1.00 0.41 H new ATOM 0 HG21 THR A 77 10.917 10.059 -2.951 1.00 0.37 H new ATOM 0 HG22 THR A 77 10.910 8.415 -3.634 1.00 0.37 H new ATOM 0 HG23 THR A 77 9.835 8.819 -2.274 1.00 0.37 H new ATOM 1216 N ASP A 78 13.972 6.619 -1.215 1.00 0.30 N ATOM 1217 CA ASP A 78 15.259 6.236 -0.696 1.00 0.45 C ATOM 1218 C ASP A 78 15.153 5.097 0.274 1.00 0.45 C ATOM 1219 O ASP A 78 15.205 5.219 1.500 1.00 0.70 O ATOM 1220 CB ASP A 78 16.030 7.399 -0.149 1.00 0.61 C ATOM 1221 CG ASP A 78 15.351 8.151 0.996 1.00 1.44 C ATOM 1222 OD1 ASP A 78 14.445 8.976 0.714 1.00 2.12 O ATOM 1223 OD2 ASP A 78 15.730 7.945 2.173 1.00 1.97 O ATOM 0 H ASP A 78 14.008 6.867 -2.204 1.00 0.30 H new ATOM 0 HA ASP A 78 15.843 5.870 -1.540 1.00 0.45 H new ATOM 0 HB2 ASP A 78 16.999 7.041 0.198 1.00 0.61 H new ATOM 0 HB3 ASP A 78 16.221 8.101 -0.960 1.00 0.61 H new ATOM 1228 N ALA A 79 14.955 3.989 -0.344 1.00 0.37 N ATOM 1229 CA ALA A 79 14.768 2.728 0.323 1.00 0.34 C ATOM 1230 C ALA A 79 16.051 2.270 0.995 1.00 0.38 C ATOM 1231 O ALA A 79 17.068 2.088 0.335 1.00 0.40 O ATOM 1232 CB ALA A 79 14.298 1.693 -0.688 1.00 0.34 C ATOM 0 H ALA A 79 14.915 3.921 -1.361 1.00 0.37 H new ATOM 0 HA ALA A 79 14.013 2.847 1.100 1.00 0.34 H new ATOM 0 HB1 ALA A 79 14.155 0.735 -0.188 1.00 0.34 H new ATOM 0 HB2 ALA A 79 13.355 2.017 -1.129 1.00 0.34 H new ATOM 0 HB3 ALA A 79 15.047 1.584 -1.472 1.00 0.34 H new ATOM 1238 N GLN A 80 16.001 2.146 2.314 1.00 0.47 N ATOM 1239 CA GLN A 80 17.027 1.438 3.065 1.00 0.55 C ATOM 1240 C GLN A 80 17.236 0.059 2.437 1.00 0.43 C ATOM 1241 O GLN A 80 16.265 -0.616 2.110 1.00 0.43 O ATOM 1242 CB GLN A 80 16.574 1.314 4.533 1.00 0.74 C ATOM 1243 CG GLN A 80 17.149 0.120 5.284 1.00 0.78 C ATOM 1244 CD GLN A 80 18.422 0.429 6.054 1.00 1.06 C ATOM 1245 OE1 GLN A 80 18.707 -0.201 7.072 1.00 1.37 O ATOM 1246 NE2 GLN A 80 19.185 1.408 5.591 1.00 1.43 N ATOM 0 H GLN A 80 15.253 2.531 2.890 1.00 0.47 H new ATOM 0 HA GLN A 80 17.972 1.981 3.037 1.00 0.55 H new ATOM 0 HB2 GLN A 80 16.852 2.225 5.062 1.00 0.74 H new ATOM 0 HB3 GLN A 80 15.486 1.251 4.558 1.00 0.74 H new ATOM 0 HG2 GLN A 80 16.398 -0.255 5.979 1.00 0.78 H new ATOM 0 HG3 GLN A 80 17.352 -0.680 4.572 1.00 0.78 H new ATOM 0 HE21 GLN A 80 18.915 1.907 4.743 1.00 1.43 H new ATOM 0 HE22 GLN A 80 20.042 1.662 6.082 1.00 1.43 H new ATOM 1255 N PRO A 81 18.496 -0.375 2.244 1.00 0.42 N ATOM 1256 CA PRO A 81 18.810 -1.656 1.589 1.00 0.44 C ATOM 1257 C PRO A 81 18.221 -2.854 2.327 1.00 0.54 C ATOM 1258 O PRO A 81 18.164 -3.961 1.794 1.00 1.33 O ATOM 1259 CB PRO A 81 20.341 -1.719 1.610 1.00 0.50 C ATOM 1260 CG PRO A 81 20.750 -0.745 2.658 1.00 0.57 C ATOM 1261 CD PRO A 81 19.717 0.344 2.629 1.00 0.49 C ATOM 0 HA PRO A 81 18.385 -1.702 0.586 1.00 0.44 H new ATOM 0 HB2 PRO A 81 20.692 -2.724 1.846 1.00 0.50 H new ATOM 0 HB3 PRO A 81 20.761 -1.454 0.639 1.00 0.50 H new ATOM 0 HG2 PRO A 81 20.791 -1.219 3.638 1.00 0.57 H new ATOM 0 HG3 PRO A 81 21.744 -0.347 2.455 1.00 0.57 H new ATOM 0 HD2 PRO A 81 19.612 0.828 3.600 1.00 0.49 H new ATOM 0 HD3 PRO A 81 19.971 1.123 1.910 1.00 0.49 H new ATOM 1269 N ALA A 82 17.775 -2.619 3.550 1.00 0.81 N ATOM 1270 CA ALA A 82 17.133 -3.651 4.341 1.00 0.88 C ATOM 1271 C ALA A 82 15.613 -3.554 4.228 1.00 0.77 C ATOM 1272 O ALA A 82 14.885 -4.138 5.033 1.00 0.91 O ATOM 1273 CB ALA A 82 17.564 -3.542 5.794 1.00 1.12 C ATOM 0 H ALA A 82 17.848 -1.715 4.017 1.00 0.81 H new ATOM 0 HA ALA A 82 17.441 -4.622 3.955 1.00 0.88 H new ATOM 0 HB1 ALA A 82 17.075 -4.322 6.378 1.00 1.12 H new ATOM 0 HB2 ALA A 82 18.645 -3.661 5.863 1.00 1.12 H new ATOM 0 HB3 ALA A 82 17.281 -2.565 6.185 1.00 1.12 H new ATOM 1279 N PHE A 83 15.131 -2.810 3.231 1.00 0.64 N ATOM 1280 CA PHE A 83 13.715 -2.704 3.004 1.00 0.68 C ATOM 1281 C PHE A 83 13.282 -3.711 1.961 1.00 0.76 C ATOM 1282 O PHE A 83 12.081 -3.876 1.741 1.00 1.24 O ATOM 1283 CB PHE A 83 13.335 -1.298 2.550 1.00 0.74 C ATOM 1284 CG PHE A 83 12.994 -0.336 3.659 1.00 0.70 C ATOM 1285 CD1 PHE A 83 12.440 -0.776 4.856 1.00 0.80 C ATOM 1286 CD2 PHE A 83 13.214 1.021 3.493 1.00 0.75 C ATOM 1287 CE1 PHE A 83 12.126 0.122 5.860 1.00 0.90 C ATOM 1288 CE2 PHE A 83 12.898 1.921 4.494 1.00 0.83 C ATOM 1289 CZ PHE A 83 12.354 1.470 5.677 1.00 0.88 C ATOM 0 H PHE A 83 15.709 -2.280 2.579 1.00 0.64 H new ATOM 0 HA PHE A 83 13.205 -2.911 3.945 1.00 0.68 H new ATOM 0 HB2 PHE A 83 14.162 -0.884 1.973 1.00 0.74 H new ATOM 0 HB3 PHE A 83 12.481 -1.369 1.877 1.00 0.74 H new ATOM 0 HD1 PHE A 83 12.253 -1.829 5.003 1.00 0.80 H new ATOM 0 HD2 PHE A 83 13.639 1.382 2.568 1.00 0.75 H new ATOM 0 HE1 PHE A 83 11.702 -0.233 6.788 1.00 0.90 H new ATOM 0 HE2 PHE A 83 13.077 2.976 4.349 1.00 0.83 H new ATOM 0 HZ PHE A 83 12.106 2.171 6.460 1.00 0.88 H new ATOM 1299 N THR A 84 14.272 -4.333 1.298 1.00 0.55 N ATOM 1300 CA THR A 84 14.047 -5.421 0.385 1.00 0.58 C ATOM 1301 C THR A 84 13.118 -6.383 1.013 1.00 0.80 C ATOM 1302 O THR A 84 13.481 -7.192 1.856 1.00 1.22 O ATOM 1303 CB THR A 84 15.302 -6.202 -0.019 1.00 0.97 C ATOM 1304 OG1 THR A 84 16.204 -5.378 -0.764 1.00 1.10 O ATOM 1305 CG2 THR A 84 14.876 -7.401 -0.852 1.00 1.17 C ATOM 0 H THR A 84 15.255 -4.077 1.395 1.00 0.55 H new ATOM 0 HA THR A 84 13.653 -4.961 -0.521 1.00 0.58 H new ATOM 0 HB THR A 84 15.825 -6.533 0.878 1.00 0.97 H new ATOM 0 HG1 THR A 84 16.997 -5.899 -1.008 1.00 1.10 H new ATOM 0 HG21 THR A 84 15.757 -7.969 -1.149 1.00 1.17 H new ATOM 0 HG22 THR A 84 14.215 -8.037 -0.263 1.00 1.17 H new ATOM 0 HG23 THR A 84 14.349 -7.057 -1.742 1.00 1.17 H new ATOM 1313 N GLY A 85 11.923 -6.233 0.624 1.00 0.87 N ATOM 1314 CA GLY A 85 10.890 -7.070 1.160 1.00 1.43 C ATOM 1315 C GLY A 85 9.605 -6.947 0.433 1.00 0.96 C ATOM 1316 O GLY A 85 9.568 -6.984 -0.789 1.00 1.29 O ATOM 0 H GLY A 85 11.614 -5.545 -0.063 1.00 0.87 H new ATOM 0 HA2 GLY A 85 11.220 -8.108 1.129 1.00 1.43 H new ATOM 0 HA3 GLY A 85 10.733 -6.816 2.208 1.00 1.43 H new ATOM 1320 N GLY A 86 8.556 -6.745 1.181 1.00 0.52 N ATOM 1321 CA GLY A 86 7.254 -6.804 0.610 1.00 0.52 C ATOM 1322 C GLY A 86 6.261 -5.966 1.350 1.00 0.40 C ATOM 1323 O GLY A 86 6.007 -6.148 2.539 1.00 0.43 O ATOM 0 H GLY A 86 8.584 -6.540 2.180 1.00 0.52 H new ATOM 0 HA2 GLY A 86 7.301 -6.473 -0.427 1.00 0.52 H new ATOM 0 HA3 GLY A 86 6.913 -7.839 0.599 1.00 0.52 H new ATOM 1327 N TYR A 87 5.746 -5.026 0.620 1.00 0.34 N ATOM 1328 CA TYR A 87 4.702 -4.145 1.059 1.00 0.28 C ATOM 1329 C TYR A 87 3.377 -4.846 0.814 1.00 0.30 C ATOM 1330 O TYR A 87 3.179 -5.456 -0.238 1.00 0.39 O ATOM 1331 CB TYR A 87 4.789 -2.840 0.262 1.00 0.35 C ATOM 1332 CG TYR A 87 6.115 -2.099 0.408 1.00 0.39 C ATOM 1333 CD1 TYR A 87 7.308 -2.712 0.057 1.00 0.42 C ATOM 1334 CD2 TYR A 87 6.184 -0.789 0.894 1.00 0.47 C ATOM 1335 CE1 TYR A 87 8.514 -2.053 0.188 1.00 0.49 C ATOM 1336 CE2 TYR A 87 7.389 -0.132 1.021 1.00 0.54 C ATOM 1337 CZ TYR A 87 8.523 -0.724 0.680 1.00 0.54 C ATOM 1338 OH TYR A 87 9.756 -0.114 0.788 1.00 0.63 O ATOM 0 H TYR A 87 6.051 -4.842 -0.336 1.00 0.34 H new ATOM 0 HA TYR A 87 4.796 -3.905 2.118 1.00 0.28 H new ATOM 0 HB2 TYR A 87 4.625 -3.061 -0.793 1.00 0.35 H new ATOM 0 HB3 TYR A 87 3.981 -2.180 0.579 1.00 0.35 H new ATOM 0 HD1 TYR A 87 7.294 -3.722 -0.325 1.00 0.42 H new ATOM 0 HD2 TYR A 87 5.273 -0.281 1.176 1.00 0.47 H new ATOM 0 HE1 TYR A 87 9.438 -2.544 -0.081 1.00 0.49 H new ATOM 0 HE2 TYR A 87 7.408 0.878 1.403 1.00 0.54 H new ATOM 0 HH TYR A 87 9.724 0.767 0.359 1.00 0.63 H new ATOM 1348 N ARG A 88 2.492 -4.801 1.783 1.00 0.33 N ATOM 1349 CA ARG A 88 1.230 -5.497 1.675 1.00 0.36 C ATOM 1350 C ARG A 88 0.075 -4.520 1.745 1.00 0.36 C ATOM 1351 O ARG A 88 0.198 -3.427 2.293 1.00 0.60 O ATOM 1352 CB ARG A 88 1.053 -6.525 2.801 1.00 0.42 C ATOM 1353 CG ARG A 88 2.138 -7.577 2.891 1.00 1.09 C ATOM 1354 CD ARG A 88 1.849 -8.541 4.032 1.00 1.23 C ATOM 1355 NE ARG A 88 2.894 -9.545 4.190 1.00 1.73 N ATOM 1356 CZ ARG A 88 2.663 -10.804 4.570 1.00 2.17 C ATOM 1357 NH1 ARG A 88 1.422 -11.208 4.843 1.00 2.11 N ATOM 1358 NH2 ARG A 88 3.676 -11.659 4.679 1.00 3.15 N ATOM 0 H ARG A 88 2.623 -4.289 2.656 1.00 0.33 H new ATOM 0 HA ARG A 88 1.235 -6.011 0.714 1.00 0.36 H new ATOM 0 HB2 ARG A 88 1.005 -5.994 3.752 1.00 0.42 H new ATOM 0 HB3 ARG A 88 0.094 -7.026 2.666 1.00 0.42 H new ATOM 0 HG2 ARG A 88 2.201 -8.125 1.951 1.00 1.09 H new ATOM 0 HG3 ARG A 88 3.105 -7.099 3.047 1.00 1.09 H new ATOM 0 HD2 ARG A 88 1.745 -7.980 4.961 1.00 1.23 H new ATOM 0 HD3 ARG A 88 0.896 -9.038 3.851 1.00 1.23 H new ATOM 0 HE ARG A 88 3.857 -9.270 3.999 1.00 1.73 H new ATOM 0 HH11 ARG A 88 0.643 -10.554 4.762 1.00 2.11 H new ATOM 0 HH12 ARG A 88 1.251 -12.171 5.133 1.00 2.11 H new ATOM 0 HH21 ARG A 88 4.627 -11.352 4.473 1.00 3.15 H new ATOM 0 HH22 ARG A 88 3.502 -12.621 4.969 1.00 3.15 H new ATOM 1372 N CYS A 89 -1.035 -4.916 1.171 1.00 0.26 N ATOM 1373 CA CYS A 89 -2.298 -4.270 1.440 1.00 0.27 C ATOM 1374 C CYS A 89 -3.306 -5.340 1.743 1.00 0.25 C ATOM 1375 O CYS A 89 -3.394 -6.352 1.043 1.00 0.31 O ATOM 1376 CB CYS A 89 -2.805 -3.432 0.275 1.00 0.39 C ATOM 1377 SG CYS A 89 -1.688 -2.114 -0.244 1.00 1.08 S ATOM 0 H CYS A 89 -1.090 -5.690 0.509 1.00 0.26 H new ATOM 0 HA CYS A 89 -2.153 -3.588 2.278 1.00 0.27 H new ATOM 0 HB2 CYS A 89 -2.990 -4.089 -0.575 1.00 0.39 H new ATOM 0 HB3 CYS A 89 -3.763 -2.991 0.551 1.00 0.39 H new ATOM 0 HG CYS A 89 -0.953 -2.532 -1.232 1.00 1.08 H new ATOM 1383 N GLU A 90 -4.026 -5.133 2.800 1.00 0.26 N ATOM 1384 CA GLU A 90 -5.055 -6.049 3.202 1.00 0.28 C ATOM 1385 C GLU A 90 -6.278 -5.236 3.569 1.00 0.26 C ATOM 1386 O GLU A 90 -6.315 -4.600 4.623 1.00 0.29 O ATOM 1387 CB GLU A 90 -4.562 -6.878 4.386 1.00 0.35 C ATOM 1388 CG GLU A 90 -5.560 -7.898 4.907 1.00 1.19 C ATOM 1389 CD GLU A 90 -5.044 -8.626 6.134 1.00 1.29 C ATOM 1390 OE1 GLU A 90 -4.094 -9.430 6.001 1.00 1.81 O ATOM 1391 OE2 GLU A 90 -5.566 -8.377 7.242 1.00 1.43 O ATOM 0 H GLU A 90 -3.920 -4.324 3.412 1.00 0.26 H new ATOM 0 HA GLU A 90 -5.308 -6.739 2.397 1.00 0.28 H new ATOM 0 HB2 GLU A 90 -3.651 -7.399 4.093 1.00 0.35 H new ATOM 0 HB3 GLU A 90 -4.296 -6.203 5.199 1.00 0.35 H new ATOM 0 HG2 GLU A 90 -6.497 -7.396 5.151 1.00 1.19 H new ATOM 0 HG3 GLU A 90 -5.781 -8.622 4.123 1.00 1.19 H new ATOM 1398 N VAL A 91 -7.256 -5.211 2.687 1.00 0.24 N ATOM 1399 CA VAL A 91 -8.428 -4.399 2.915 1.00 0.22 C ATOM 1400 C VAL A 91 -9.566 -5.236 3.444 1.00 0.22 C ATOM 1401 O VAL A 91 -9.858 -6.333 2.950 1.00 0.24 O ATOM 1402 CB VAL A 91 -8.870 -3.617 1.662 1.00 0.23 C ATOM 1403 CG1 VAL A 91 -9.103 -4.546 0.478 1.00 0.54 C ATOM 1404 CG2 VAL A 91 -10.115 -2.781 1.960 1.00 0.51 C ATOM 0 H VAL A 91 -7.261 -5.739 1.814 1.00 0.24 H new ATOM 0 HA VAL A 91 -8.150 -3.660 3.666 1.00 0.22 H new ATOM 0 HB VAL A 91 -8.061 -2.939 1.389 1.00 0.23 H new ATOM 0 HG11 VAL A 91 -9.413 -3.961 -0.388 1.00 0.54 H new ATOM 0 HG12 VAL A 91 -8.180 -5.077 0.245 1.00 0.54 H new ATOM 0 HG13 VAL A 91 -9.883 -5.266 0.728 1.00 0.54 H new ATOM 0 HG21 VAL A 91 -10.411 -2.237 1.063 1.00 0.51 H new ATOM 0 HG22 VAL A 91 -10.928 -3.437 2.271 1.00 0.51 H new ATOM 0 HG23 VAL A 91 -9.895 -2.072 2.758 1.00 0.51 H new ATOM 1414 N SER A 92 -10.198 -4.691 4.454 1.00 0.22 N ATOM 1415 CA SER A 92 -11.268 -5.364 5.139 1.00 0.25 C ATOM 1416 C SER A 92 -12.419 -4.398 5.317 1.00 0.26 C ATOM 1417 O SER A 92 -12.336 -3.435 6.083 1.00 0.30 O ATOM 1418 CB SER A 92 -10.778 -5.890 6.491 1.00 0.32 C ATOM 1419 OG SER A 92 -11.764 -6.688 7.124 1.00 1.18 O ATOM 0 H SER A 92 -9.982 -3.765 4.824 1.00 0.22 H new ATOM 0 HA SER A 92 -11.608 -6.218 4.553 1.00 0.25 H new ATOM 0 HB2 SER A 92 -9.870 -6.476 6.348 1.00 0.32 H new ATOM 0 HB3 SER A 92 -10.517 -5.051 7.136 1.00 0.32 H new ATOM 0 HG SER A 92 -11.421 -7.011 7.984 1.00 1.18 H new ATOM 1425 N THR A 93 -13.473 -4.634 4.569 1.00 0.28 N ATOM 1426 CA THR A 93 -14.651 -3.810 4.633 1.00 0.35 C ATOM 1427 C THR A 93 -15.847 -4.704 4.742 1.00 0.39 C ATOM 1428 O THR A 93 -15.756 -5.842 4.315 1.00 0.59 O ATOM 1429 CB THR A 93 -14.777 -2.962 3.378 1.00 0.42 C ATOM 1430 OG1 THR A 93 -13.477 -2.733 2.834 1.00 0.74 O ATOM 1431 CG2 THR A 93 -15.424 -1.635 3.688 1.00 0.57 C ATOM 0 H THR A 93 -13.534 -5.402 3.901 1.00 0.28 H new ATOM 0 HA THR A 93 -14.583 -3.148 5.496 1.00 0.35 H new ATOM 0 HB THR A 93 -15.401 -3.495 2.660 1.00 0.42 H new ATOM 0 HG1 THR A 93 -12.846 -2.549 3.561 1.00 0.74 H new ATOM 0 HG21 THR A 93 -15.503 -1.046 2.774 1.00 0.57 H new ATOM 0 HG22 THR A 93 -16.420 -1.803 4.099 1.00 0.57 H new ATOM 0 HG23 THR A 93 -14.818 -1.096 4.416 1.00 0.57 H new ATOM 1439 N LYS A 94 -16.933 -4.171 5.313 1.00 0.43 N ATOM 1440 CA LYS A 94 -18.237 -4.851 5.454 1.00 0.43 C ATOM 1441 C LYS A 94 -18.188 -6.374 5.310 1.00 0.42 C ATOM 1442 O LYS A 94 -18.310 -7.112 6.284 1.00 0.53 O ATOM 1443 CB LYS A 94 -19.268 -4.255 4.473 1.00 0.45 C ATOM 1444 CG LYS A 94 -18.694 -3.624 3.194 1.00 0.47 C ATOM 1445 CD LYS A 94 -18.299 -4.629 2.127 1.00 0.50 C ATOM 1446 CE LYS A 94 -19.428 -5.589 1.808 1.00 0.41 C ATOM 1447 NZ LYS A 94 -20.726 -4.896 1.606 1.00 0.65 N ATOM 0 H LYS A 94 -16.935 -3.228 5.703 1.00 0.43 H new ATOM 0 HA LYS A 94 -18.544 -4.666 6.483 1.00 0.43 H new ATOM 0 HB2 LYS A 94 -19.964 -5.043 4.185 1.00 0.45 H new ATOM 0 HB3 LYS A 94 -19.846 -3.497 5.001 1.00 0.45 H new ATOM 0 HG2 LYS A 94 -19.433 -2.940 2.777 1.00 0.47 H new ATOM 0 HG3 LYS A 94 -17.820 -3.028 3.457 1.00 0.47 H new ATOM 0 HD2 LYS A 94 -18.006 -4.099 1.220 1.00 0.50 H new ATOM 0 HD3 LYS A 94 -17.428 -5.192 2.463 1.00 0.50 H new ATOM 0 HE2 LYS A 94 -19.178 -6.153 0.910 1.00 0.41 H new ATOM 0 HE3 LYS A 94 -19.527 -6.310 2.620 1.00 0.41 H new ATOM 0 HZ1 LYS A 94 -21.500 -5.505 1.939 1.00 0.65 H new ATOM 0 HZ2 LYS A 94 -20.731 -4.005 2.143 1.00 0.65 H new ATOM 0 HZ3 LYS A 94 -20.857 -4.692 0.595 1.00 0.65 H new ATOM 1461 N ASP A 95 -18.002 -6.805 4.082 1.00 0.36 N ATOM 1462 CA ASP A 95 -18.026 -8.193 3.716 1.00 0.40 C ATOM 1463 C ASP A 95 -17.137 -8.418 2.494 1.00 0.37 C ATOM 1464 O ASP A 95 -17.032 -9.531 2.001 1.00 0.47 O ATOM 1465 CB ASP A 95 -19.459 -8.585 3.397 1.00 0.46 C ATOM 1466 CG ASP A 95 -19.764 -10.056 3.615 1.00 0.66 C ATOM 1467 OD1 ASP A 95 -19.702 -10.508 4.777 1.00 0.89 O ATOM 1468 OD2 ASP A 95 -20.040 -10.769 2.628 1.00 1.05 O ATOM 0 H ASP A 95 -17.826 -6.180 3.295 1.00 0.36 H new ATOM 0 HA ASP A 95 -17.651 -8.804 4.537 1.00 0.40 H new ATOM 0 HB2 ASP A 95 -20.133 -7.990 4.014 1.00 0.46 H new ATOM 0 HB3 ASP A 95 -19.671 -8.331 2.358 1.00 0.46 H new ATOM 1473 N LYS A 96 -16.492 -7.348 2.003 1.00 0.29 N ATOM 1474 CA LYS A 96 -15.613 -7.471 0.860 1.00 0.29 C ATOM 1475 C LYS A 96 -14.199 -7.571 1.370 1.00 0.27 C ATOM 1476 O LYS A 96 -13.773 -6.788 2.219 1.00 0.29 O ATOM 1477 CB LYS A 96 -15.706 -6.319 -0.172 1.00 0.30 C ATOM 1478 CG LYS A 96 -16.320 -6.750 -1.494 1.00 0.56 C ATOM 1479 CD LYS A 96 -15.251 -7.214 -2.479 1.00 0.82 C ATOM 1480 CE LYS A 96 -15.741 -8.356 -3.357 1.00 1.00 C ATOM 1481 NZ LYS A 96 -16.920 -7.998 -4.190 1.00 1.29 N ATOM 0 H LYS A 96 -16.570 -6.405 2.383 1.00 0.29 H new ATOM 0 HA LYS A 96 -15.930 -8.363 0.319 1.00 0.29 H new ATOM 0 HB2 LYS A 96 -16.300 -5.508 0.250 1.00 0.30 H new ATOM 0 HB3 LYS A 96 -14.708 -5.921 -0.355 1.00 0.30 H new ATOM 0 HG2 LYS A 96 -17.032 -7.557 -1.320 1.00 0.56 H new ATOM 0 HG3 LYS A 96 -16.879 -5.919 -1.925 1.00 0.56 H new ATOM 0 HD2 LYS A 96 -14.950 -6.376 -3.108 1.00 0.82 H new ATOM 0 HD3 LYS A 96 -14.366 -7.534 -1.929 1.00 0.82 H new ATOM 0 HE2 LYS A 96 -14.929 -8.677 -4.009 1.00 1.00 H new ATOM 0 HE3 LYS A 96 -15.997 -9.206 -2.725 1.00 1.00 H new ATOM 0 HZ1 LYS A 96 -17.213 -8.824 -4.750 1.00 1.29 H new ATOM 0 HZ2 LYS A 96 -17.704 -7.702 -3.574 1.00 1.29 H new ATOM 0 HZ3 LYS A 96 -16.669 -7.217 -4.829 1.00 1.29 H new ATOM 1495 N PHE A 97 -13.509 -8.554 0.882 1.00 0.28 N ATOM 1496 CA PHE A 97 -12.142 -8.805 1.293 1.00 0.29 C ATOM 1497 C PHE A 97 -11.235 -8.999 0.092 1.00 0.32 C ATOM 1498 O PHE A 97 -11.660 -9.514 -0.945 1.00 0.47 O ATOM 1499 CB PHE A 97 -12.106 -10.038 2.183 1.00 0.40 C ATOM 1500 CG PHE A 97 -10.822 -10.207 2.943 1.00 0.46 C ATOM 1501 CD1 PHE A 97 -10.613 -9.520 4.127 1.00 0.62 C ATOM 1502 CD2 PHE A 97 -9.827 -11.053 2.479 1.00 0.65 C ATOM 1503 CE1 PHE A 97 -9.435 -9.671 4.835 1.00 0.75 C ATOM 1504 CE2 PHE A 97 -8.646 -11.206 3.181 1.00 0.77 C ATOM 1505 CZ PHE A 97 -8.451 -10.515 4.362 1.00 0.74 C ATOM 0 H PHE A 97 -13.867 -9.210 0.188 1.00 0.28 H new ATOM 0 HA PHE A 97 -11.778 -7.940 1.847 1.00 0.29 H new ATOM 0 HB2 PHE A 97 -12.932 -9.985 2.893 1.00 0.40 H new ATOM 0 HB3 PHE A 97 -12.271 -10.922 1.568 1.00 0.40 H new ATOM 0 HD1 PHE A 97 -11.380 -8.858 4.502 1.00 0.62 H new ATOM 0 HD2 PHE A 97 -9.976 -11.599 1.559 1.00 0.65 H new ATOM 0 HE1 PHE A 97 -9.285 -9.129 5.757 1.00 0.75 H new ATOM 0 HE2 PHE A 97 -7.876 -11.865 2.807 1.00 0.77 H new ATOM 0 HZ PHE A 97 -7.530 -10.635 4.914 1.00 0.74 H new ATOM 1515 N ASP A 98 -9.995 -8.574 0.241 1.00 0.31 N ATOM 1516 CA ASP A 98 -8.966 -8.792 -0.773 1.00 0.43 C ATOM 1517 C ASP A 98 -7.618 -8.357 -0.211 1.00 0.36 C ATOM 1518 O ASP A 98 -7.564 -7.683 0.820 1.00 0.36 O ATOM 1519 CB ASP A 98 -9.277 -8.012 -2.061 1.00 0.56 C ATOM 1520 CG ASP A 98 -8.738 -8.684 -3.319 1.00 1.03 C ATOM 1521 OD1 ASP A 98 -7.606 -9.219 -3.291 1.00 1.26 O ATOM 1522 OD2 ASP A 98 -9.446 -8.674 -4.355 1.00 1.60 O ATOM 0 H ASP A 98 -9.667 -8.069 1.064 1.00 0.31 H new ATOM 0 HA ASP A 98 -8.941 -9.852 -1.026 1.00 0.43 H new ATOM 0 HB2 ASP A 98 -10.357 -7.895 -2.155 1.00 0.56 H new ATOM 0 HB3 ASP A 98 -8.853 -7.011 -1.982 1.00 0.56 H new ATOM 1527 N CYS A 99 -6.545 -8.739 -0.878 1.00 0.35 N ATOM 1528 CA CYS A 99 -5.203 -8.436 -0.414 1.00 0.30 C ATOM 1529 C CYS A 99 -4.228 -8.434 -1.576 1.00 0.32 C ATOM 1530 O CYS A 99 -4.473 -9.056 -2.614 1.00 0.42 O ATOM 1531 CB CYS A 99 -4.769 -9.458 0.635 1.00 0.34 C ATOM 1532 SG CYS A 99 -4.862 -11.171 0.061 1.00 1.19 S ATOM 0 H CYS A 99 -6.578 -9.265 -1.751 1.00 0.35 H new ATOM 0 HA CYS A 99 -5.206 -7.444 0.038 1.00 0.30 H new ATOM 0 HB2 CYS A 99 -3.745 -9.241 0.939 1.00 0.34 H new ATOM 0 HB3 CYS A 99 -5.395 -9.346 1.520 1.00 0.34 H new ATOM 0 HG CYS A 99 -4.474 -11.969 1.011 1.00 1.19 H new ATOM 1538 N SER A 100 -3.129 -7.736 -1.397 1.00 0.27 N ATOM 1539 CA SER A 100 -2.132 -7.609 -2.444 1.00 0.30 C ATOM 1540 C SER A 100 -0.725 -7.801 -1.888 1.00 0.31 C ATOM 1541 O SER A 100 -0.453 -7.465 -0.736 1.00 0.42 O ATOM 1542 CB SER A 100 -2.270 -6.242 -3.107 1.00 0.38 C ATOM 1543 OG SER A 100 -2.257 -5.207 -2.142 1.00 0.84 O ATOM 0 H SER A 100 -2.900 -7.244 -0.533 1.00 0.27 H new ATOM 0 HA SER A 100 -2.298 -8.388 -3.188 1.00 0.30 H new ATOM 0 HB2 SER A 100 -1.455 -6.094 -3.816 1.00 0.38 H new ATOM 0 HB3 SER A 100 -3.199 -6.202 -3.676 1.00 0.38 H new ATOM 0 HG SER A 100 -1.651 -4.494 -2.435 1.00 0.84 H new ATOM 1549 N ASN A 101 0.158 -8.358 -2.709 1.00 0.34 N ATOM 1550 CA ASN A 101 1.547 -8.550 -2.315 1.00 0.37 C ATOM 1551 C ASN A 101 2.477 -7.945 -3.363 1.00 0.42 C ATOM 1552 O ASN A 101 2.405 -8.281 -4.544 1.00 0.65 O ATOM 1553 CB ASN A 101 1.875 -10.038 -2.075 1.00 0.60 C ATOM 1554 CG ASN A 101 1.887 -10.926 -3.325 1.00 0.97 C ATOM 1555 OD1 ASN A 101 2.672 -11.866 -3.400 1.00 1.58 O ATOM 1556 ND2 ASN A 101 1.017 -10.666 -4.298 1.00 1.05 N ATOM 0 H ASN A 101 -0.064 -8.684 -3.650 1.00 0.34 H new ATOM 0 HA ASN A 101 1.703 -8.034 -1.367 1.00 0.37 H new ATOM 0 HB2 ASN A 101 2.852 -10.103 -1.596 1.00 0.60 H new ATOM 0 HB3 ASN A 101 1.148 -10.443 -1.371 1.00 0.60 H new ATOM 0 HD21 ASN A 101 0.992 -11.255 -5.131 1.00 1.05 H new ATOM 0 HD22 ASN A 101 0.375 -9.878 -4.211 1.00 1.05 H new ATOM 1563 N PHE A 102 3.311 -7.016 -2.939 1.00 0.31 N ATOM 1564 CA PHE A 102 4.178 -6.304 -3.855 1.00 0.38 C ATOM 1565 C PHE A 102 5.532 -6.071 -3.206 1.00 0.30 C ATOM 1566 O PHE A 102 5.640 -5.390 -2.186 1.00 0.37 O ATOM 1567 CB PHE A 102 3.522 -4.990 -4.311 1.00 0.57 C ATOM 1568 CG PHE A 102 2.627 -4.334 -3.293 1.00 0.46 C ATOM 1569 CD1 PHE A 102 1.422 -4.904 -2.942 1.00 0.59 C ATOM 1570 CD2 PHE A 102 2.996 -3.145 -2.686 1.00 0.61 C ATOM 1571 CE1 PHE A 102 0.601 -4.304 -2.015 1.00 0.74 C ATOM 1572 CE2 PHE A 102 2.178 -2.538 -1.764 1.00 0.84 C ATOM 1573 CZ PHE A 102 0.984 -3.136 -1.411 1.00 0.86 C ATOM 0 H PHE A 102 3.406 -6.736 -1.963 1.00 0.31 H new ATOM 0 HA PHE A 102 4.335 -6.908 -4.748 1.00 0.38 H new ATOM 0 HB2 PHE A 102 4.308 -4.287 -4.587 1.00 0.57 H new ATOM 0 HB3 PHE A 102 2.939 -5.187 -5.211 1.00 0.57 H new ATOM 0 HD1 PHE A 102 1.118 -5.834 -3.400 1.00 0.59 H new ATOM 0 HD2 PHE A 102 3.941 -2.688 -2.941 1.00 0.61 H new ATOM 0 HE1 PHE A 102 -0.347 -4.755 -1.763 1.00 0.74 H new ATOM 0 HE2 PHE A 102 2.467 -1.598 -1.318 1.00 0.84 H new ATOM 0 HZ PHE A 102 0.354 -2.683 -0.660 1.00 0.86 H new ATOM 1583 N ASN A 103 6.562 -6.657 -3.789 1.00 0.24 N ATOM 1584 CA ASN A 103 7.854 -6.705 -3.182 1.00 0.25 C ATOM 1585 C ASN A 103 8.783 -5.659 -3.752 1.00 0.28 C ATOM 1586 O ASN A 103 8.736 -5.308 -4.924 1.00 0.49 O ATOM 1587 CB ASN A 103 8.442 -8.107 -3.336 1.00 0.33 C ATOM 1588 CG ASN A 103 8.186 -8.743 -4.679 1.00 1.08 C ATOM 1589 OD1 ASN A 103 8.184 -8.087 -5.711 1.00 2.11 O ATOM 1590 ND2 ASN A 103 7.952 -10.034 -4.667 1.00 1.25 N ATOM 0 H ASN A 103 6.512 -7.111 -4.701 1.00 0.24 H new ATOM 0 HA ASN A 103 7.742 -6.480 -2.121 1.00 0.25 H new ATOM 0 HB2 ASN A 103 9.518 -8.057 -3.170 1.00 0.33 H new ATOM 0 HB3 ASN A 103 8.029 -8.749 -2.558 1.00 0.33 H new ATOM 0 HD21 ASN A 103 7.760 -10.526 -5.540 1.00 1.25 H new ATOM 0 HD22 ASN A 103 7.963 -10.546 -3.785 1.00 1.25 H new ATOM 1597 N LEU A 104 9.627 -5.173 -2.895 1.00 0.23 N ATOM 1598 CA LEU A 104 10.595 -4.168 -3.267 1.00 0.24 C ATOM 1599 C LEU A 104 11.977 -4.723 -3.098 1.00 0.25 C ATOM 1600 O LEU A 104 12.348 -5.172 -2.015 1.00 0.37 O ATOM 1601 CB LEU A 104 10.453 -2.882 -2.444 1.00 0.27 C ATOM 1602 CG LEU A 104 11.738 -2.126 -2.213 1.00 0.25 C ATOM 1603 CD1 LEU A 104 11.677 -0.773 -2.888 1.00 0.28 C ATOM 1604 CD2 LEU A 104 12.039 -1.984 -0.733 1.00 0.30 C ATOM 0 H LEU A 104 9.670 -5.457 -1.916 1.00 0.23 H new ATOM 0 HA LEU A 104 10.412 -3.907 -4.309 1.00 0.24 H new ATOM 0 HB2 LEU A 104 9.747 -2.222 -2.948 1.00 0.27 H new ATOM 0 HB3 LEU A 104 10.019 -3.134 -1.477 1.00 0.27 H new ATOM 0 HG LEU A 104 12.553 -2.698 -2.656 1.00 0.25 H new ATOM 0 HD11 LEU A 104 12.610 -0.237 -2.714 1.00 0.28 H new ATOM 0 HD12 LEU A 104 11.530 -0.907 -3.960 1.00 0.28 H new ATOM 0 HD13 LEU A 104 10.847 -0.199 -2.477 1.00 0.28 H new ATOM 0 HD21 LEU A 104 12.971 -1.435 -0.602 1.00 0.30 H new ATOM 0 HD22 LEU A 104 11.227 -1.442 -0.247 1.00 0.30 H new ATOM 0 HD23 LEU A 104 12.135 -2.973 -0.285 1.00 0.30 H new ATOM 1616 N THR A 105 12.727 -4.706 -4.163 1.00 0.23 N ATOM 1617 CA THR A 105 14.106 -5.089 -4.086 1.00 0.24 C ATOM 1618 C THR A 105 14.952 -3.836 -4.071 1.00 0.21 C ATOM 1619 O THR A 105 15.220 -3.239 -5.117 1.00 0.22 O ATOM 1620 CB THR A 105 14.548 -5.968 -5.265 1.00 0.28 C ATOM 1621 OG1 THR A 105 13.540 -6.945 -5.572 1.00 0.33 O ATOM 1622 CG2 THR A 105 15.854 -6.671 -4.928 1.00 0.32 C ATOM 0 H THR A 105 12.407 -4.432 -5.092 1.00 0.23 H new ATOM 0 HA THR A 105 14.235 -5.676 -3.176 1.00 0.24 H new ATOM 0 HB THR A 105 14.695 -5.329 -6.136 1.00 0.28 H new ATOM 0 HG1 THR A 105 13.711 -7.323 -6.460 1.00 0.33 H new ATOM 0 HG21 THR A 105 16.160 -7.292 -5.769 1.00 0.32 H new ATOM 0 HG22 THR A 105 16.625 -5.928 -4.726 1.00 0.32 H new ATOM 0 HG23 THR A 105 15.713 -7.297 -4.047 1.00 0.32 H new ATOM 1630 N VAL A 106 15.330 -3.410 -2.885 1.00 0.23 N ATOM 1631 CA VAL A 106 16.206 -2.283 -2.761 1.00 0.23 C ATOM 1632 C VAL A 106 17.635 -2.714 -3.029 1.00 0.25 C ATOM 1633 O VAL A 106 18.246 -3.509 -2.312 1.00 0.28 O ATOM 1634 CB VAL A 106 16.088 -1.551 -1.411 1.00 0.27 C ATOM 1635 CG1 VAL A 106 16.240 -2.511 -0.270 1.00 0.31 C ATOM 1636 CG2 VAL A 106 17.097 -0.417 -1.340 1.00 0.33 C ATOM 0 H VAL A 106 15.042 -3.830 -2.001 1.00 0.23 H new ATOM 0 HA VAL A 106 15.895 -1.555 -3.510 1.00 0.23 H new ATOM 0 HB VAL A 106 15.093 -1.114 -1.330 1.00 0.27 H new ATOM 0 HG11 VAL A 106 16.153 -1.972 0.673 1.00 0.31 H new ATOM 0 HG12 VAL A 106 15.460 -3.270 -0.327 1.00 0.31 H new ATOM 0 HG13 VAL A 106 17.218 -2.990 -0.325 1.00 0.31 H new ATOM 0 HG21 VAL A 106 17.004 0.093 -0.381 1.00 0.33 H new ATOM 0 HG22 VAL A 106 18.105 -0.820 -1.441 1.00 0.33 H new ATOM 0 HG23 VAL A 106 16.907 0.290 -2.147 1.00 0.33 H new ATOM 1646 N HIS A 107 18.117 -2.165 -4.098 1.00 0.26 N ATOM 1647 CA HIS A 107 19.411 -2.471 -4.649 1.00 0.31 C ATOM 1648 C HIS A 107 20.474 -1.734 -3.890 1.00 0.34 C ATOM 1649 O HIS A 107 20.696 -0.542 -4.081 1.00 0.36 O ATOM 1650 CB HIS A 107 19.488 -2.075 -6.121 1.00 0.36 C ATOM 1651 CG HIS A 107 18.852 -3.041 -7.064 1.00 0.43 C ATOM 1652 ND1 HIS A 107 19.495 -3.498 -8.186 1.00 1.19 N ATOM 1653 CD2 HIS A 107 17.625 -3.614 -7.077 1.00 0.70 C ATOM 1654 CE1 HIS A 107 18.702 -4.301 -8.853 1.00 1.10 C ATOM 1655 NE2 HIS A 107 17.559 -4.393 -8.204 1.00 0.53 N ATOM 0 H HIS A 107 17.606 -1.465 -4.636 1.00 0.26 H new ATOM 0 HA HIS A 107 19.567 -3.546 -4.565 1.00 0.31 H new ATOM 0 HB2 HIS A 107 19.014 -1.102 -6.246 1.00 0.36 H new ATOM 0 HB3 HIS A 107 20.536 -1.957 -6.396 1.00 0.36 H new ATOM 0 HD2 HIS A 107 16.846 -3.483 -6.340 1.00 0.70 H new ATOM 0 HE1 HIS A 107 18.945 -4.802 -9.778 1.00 1.10 H new ATOM 0 HE2 HIS A 107 16.756 -4.952 -8.493 1.00 0.53 H new ATOM 1664 N GLU A 108 21.082 -2.453 -3.001 1.00 0.45 N ATOM 1665 CA GLU A 108 22.243 -1.964 -2.290 1.00 0.56 C ATOM 1666 C GLU A 108 23.413 -1.839 -3.259 1.00 0.71 C ATOM 1667 O GLU A 108 23.825 -0.731 -3.602 1.00 1.33 O ATOM 1668 CB GLU A 108 22.577 -2.895 -1.121 1.00 0.71 C ATOM 1669 CG GLU A 108 23.611 -2.326 -0.162 1.00 0.87 C ATOM 1670 CD GLU A 108 23.768 -3.183 1.073 1.00 1.20 C ATOM 1671 OE1 GLU A 108 24.264 -4.320 0.948 1.00 1.67 O ATOM 1672 OE2 GLU A 108 23.367 -2.738 2.167 1.00 1.66 O ATOM 0 H GLU A 108 20.796 -3.397 -2.740 1.00 0.45 H new ATOM 0 HA GLU A 108 22.034 -0.978 -1.875 1.00 0.56 H new ATOM 0 HB2 GLU A 108 21.663 -3.112 -0.569 1.00 0.71 H new ATOM 0 HB3 GLU A 108 22.943 -3.843 -1.516 1.00 0.71 H new ATOM 0 HG2 GLU A 108 24.571 -2.244 -0.671 1.00 0.87 H new ATOM 0 HG3 GLU A 108 23.318 -1.318 0.131 1.00 0.87 H new ATOM 1679 N ALA A 109 23.919 -2.991 -3.713 1.00 1.29 N ATOM 1680 CA ALA A 109 25.011 -3.055 -4.691 1.00 1.54 C ATOM 1681 C ALA A 109 26.232 -2.236 -4.249 1.00 2.12 C ATOM 1682 O ALA A 109 27.098 -1.914 -5.058 1.00 2.78 O ATOM 1683 CB ALA A 109 24.526 -2.598 -6.064 1.00 2.44 C ATOM 0 H ALA A 109 23.583 -3.906 -3.413 1.00 1.29 H new ATOM 0 HA ALA A 109 25.328 -4.096 -4.756 1.00 1.54 H new ATOM 0 HB1 ALA A 109 25.349 -2.652 -6.777 1.00 2.44 H new ATOM 0 HB2 ALA A 109 23.714 -3.245 -6.397 1.00 2.44 H new ATOM 0 HB3 ALA A 109 24.168 -1.570 -6.000 1.00 2.44 H new ATOM 1689 N MET A 110 26.303 -1.916 -2.965 1.00 2.77 N ATOM 1690 CA MET A 110 27.408 -1.139 -2.430 1.00 3.92 C ATOM 1691 C MET A 110 28.581 -2.055 -2.120 1.00 4.80 C ATOM 1692 O MET A 110 28.497 -2.817 -1.137 1.00 5.41 O ATOM 1693 CB MET A 110 26.966 -0.386 -1.173 1.00 4.52 C ATOM 1694 CG MET A 110 28.038 0.522 -0.588 1.00 5.33 C ATOM 1695 SD MET A 110 27.438 1.489 0.810 1.00 6.12 S ATOM 1696 CE MET A 110 28.900 2.430 1.231 1.00 6.92 C ATOM 1697 OXT MET A 110 29.572 -2.022 -2.874 1.00 5.23 O ATOM 0 H MET A 110 25.604 -2.185 -2.273 1.00 2.77 H new ATOM 0 HA MET A 110 27.723 -0.408 -3.174 1.00 3.92 H new ATOM 0 HB2 MET A 110 26.087 0.213 -1.411 1.00 4.52 H new ATOM 0 HB3 MET A 110 26.664 -1.109 -0.416 1.00 4.52 H new ATOM 0 HG2 MET A 110 28.887 -0.083 -0.269 1.00 5.33 H new ATOM 0 HG3 MET A 110 28.400 1.197 -1.363 1.00 5.33 H new ATOM 0 HE1 MET A 110 28.684 3.077 2.081 1.00 6.92 H new ATOM 0 HE2 MET A 110 29.710 1.748 1.491 1.00 6.92 H new ATOM 0 HE3 MET A 110 29.199 3.039 0.378 1.00 6.92 H new TER 1707 MET A 110