USER MOD reduce.3.24.130724 H: found=0, std=0, add=701, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 700 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 59 LYS NZ :NH3+ -162:sc= -0.172 (180deg=-0.0103) USER MOD Set 1.2: A 62 MET CE :methyl -114:sc= -0.626 (180deg=-0.867) USER MOD Set 2.1: A 42 HIS : no HD1:sc= -3.67! C(o=-3.9!,f=-9.4!) USER MOD Set 2.2: A 78 GLN : amide:sc= -0.199 K(o=-3.9,f=-5) USER MOD Set 3.1: A 36 ASN : amide:sc= -1.02 K(o=-9.4,f=-10!) USER MOD Set 3.2: A 86 THR OG1 : rot 127:sc= -8.42! USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 CYS SG : rot -126:sc= -4.52! USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 HIS : no HD1:sc= -9.53! C(o=-9.5!,f=-4.3!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ -118:sc= 0.223 (180deg=-0.268) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -0.238 X(o=-0.24,f=-0.24) USER MOD Single : A 70 GLN : amide:sc= -2.42! C(o=-2.4!,f=-1.4!) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 59:sc= 1.18 USER MOD Single : A 75 LYS NZ :NH3+ -141:sc= -0.0405 (180deg=-0.448) USER MOD Single : A 85 MET CE :methyl -122:sc= -5.88! (180deg=-11.1!) USER MOD Single : A 89 SER OG : rot 164:sc= -0.0231 USER MOD Single : A 90 MET CE :methyl -172:sc= 0 (180deg=-0.0286) USER MOD Single : A 95 GLN : amide:sc= -2.95 K(o=-3,f=-7.3!) USER MOD Single : A 112 THR OG1 : rot 13:sc= -1.69! USER MOD Single : A 117 LYS NZ :NH3+ -150:sc= -0.155 (180deg=-1.56!) USER MOD Single : A 118 THR OG1 : rot -127:sc= -1.41! USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 TYR OH : rot 30:sc= 0.208 USER MOD Single : A 123 HIS : no HE2:sc= -13.8! C(o=-14!,f=-12!) USER MOD Single : A 126 MET CE :methyl 145:sc= -0.261 (180deg=-1.66) USER MOD Single : A 131 LYS NZ :NH3+ -124:sc= -0.067 (180deg=-0.463) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 36 -1.215 -18.274 -12.516 1.00 0.00 N ATOM 2 CA ASN A 36 -0.428 -18.045 -13.762 1.00 0.00 C ATOM 3 C ASN A 36 -0.777 -16.687 -14.374 1.00 0.00 C ATOM 4 O ASN A 36 -0.263 -16.311 -15.407 1.00 0.00 O ATOM 5 CB ASN A 36 -0.856 -19.168 -14.708 1.00 0.00 C ATOM 6 CG ASN A 36 -2.317 -18.956 -15.113 1.00 0.00 C ATOM 7 OD1 ASN A 36 -3.061 -18.296 -14.414 1.00 0.00 O ATOM 8 ND2 ASN A 36 -2.762 -19.489 -16.219 1.00 0.00 N ATOM 0 HA ASN A 36 0.645 -18.045 -13.572 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -0.219 -19.177 -15.592 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -0.738 -20.135 -14.220 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -3.734 -19.352 -16.496 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -2.138 -20.043 -16.805 1.00 0.00 H new ATOM 15 N ALA A 37 -1.651 -15.948 -13.750 1.00 0.00 N ATOM 16 CA ALA A 37 -2.031 -14.621 -14.312 1.00 0.00 C ATOM 17 C ALA A 37 -1.551 -13.496 -13.399 1.00 0.00 C ATOM 18 O ALA A 37 -1.128 -13.721 -12.283 1.00 0.00 O ATOM 19 CB ALA A 37 -3.558 -14.642 -14.381 1.00 0.00 C ATOM 0 H ALA A 37 -2.117 -16.203 -12.879 1.00 0.00 H new ATOM 0 HA ALA A 37 -1.580 -14.446 -15.289 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -3.917 -13.696 -14.786 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -3.882 -15.459 -15.026 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -3.965 -14.786 -13.380 1.00 0.00 H new ATOM 25 N VAL A 38 -1.613 -12.287 -13.872 1.00 0.00 N ATOM 26 CA VAL A 38 -1.162 -11.138 -13.046 1.00 0.00 C ATOM 27 C VAL A 38 -2.231 -10.049 -13.044 1.00 0.00 C ATOM 28 O VAL A 38 -3.164 -10.086 -13.817 1.00 0.00 O ATOM 29 CB VAL A 38 0.107 -10.644 -13.733 1.00 0.00 C ATOM 30 CG1 VAL A 38 1.082 -11.809 -13.899 1.00 0.00 C ATOM 31 CG2 VAL A 38 -0.249 -10.074 -15.108 1.00 0.00 C ATOM 0 H VAL A 38 -1.959 -12.044 -14.800 1.00 0.00 H new ATOM 0 HA VAL A 38 -0.984 -11.411 -12.006 1.00 0.00 H new ATOM 0 HB VAL A 38 0.572 -9.866 -13.127 1.00 0.00 H new ATOM 0 HG11 VAL A 38 1.989 -11.457 -14.390 1.00 0.00 H new ATOM 0 HG12 VAL A 38 1.334 -12.215 -12.919 1.00 0.00 H new ATOM 0 HG13 VAL A 38 0.619 -12.587 -14.506 1.00 0.00 H new ATOM 0 HG21 VAL A 38 0.657 -9.720 -15.601 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.713 -10.851 -15.715 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.945 -9.244 -14.989 1.00 0.00 H new ATOM 41 N LYS A 39 -2.092 -9.064 -12.205 1.00 0.00 N ATOM 42 CA LYS A 39 -3.099 -7.967 -12.185 1.00 0.00 C ATOM 43 C LYS A 39 -2.569 -6.786 -12.988 1.00 0.00 C ATOM 44 O LYS A 39 -1.522 -6.238 -12.697 1.00 0.00 O ATOM 45 CB LYS A 39 -3.276 -7.606 -10.713 1.00 0.00 C ATOM 46 CG LYS A 39 -3.913 -8.789 -9.983 1.00 0.00 C ATOM 47 CD LYS A 39 -4.624 -8.295 -8.722 1.00 0.00 C ATOM 48 CE LYS A 39 -6.114 -8.109 -9.016 1.00 0.00 C ATOM 49 NZ LYS A 39 -6.722 -7.740 -7.708 1.00 0.00 N ATOM 0 H LYS A 39 -1.329 -8.970 -11.535 1.00 0.00 H new ATOM 0 HA LYS A 39 -4.051 -8.256 -12.630 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -2.312 -7.363 -10.266 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -3.905 -6.721 -10.615 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -4.623 -9.293 -10.638 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -3.149 -9.520 -9.718 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -4.489 -9.011 -7.911 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -4.187 -7.353 -8.391 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -6.275 -7.329 -9.760 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -6.555 -9.024 -9.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -7.745 -7.596 -7.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -6.559 -8.504 -7.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -6.288 -6.862 -7.359 1.00 0.00 H new ATOM 63 N VAL A 40 -3.270 -6.410 -14.022 1.00 0.00 N ATOM 64 CA VAL A 40 -2.778 -5.284 -14.866 1.00 0.00 C ATOM 65 C VAL A 40 -3.669 -4.042 -14.744 1.00 0.00 C ATOM 66 O VAL A 40 -4.863 -4.090 -14.960 1.00 0.00 O ATOM 67 CB VAL A 40 -2.810 -5.829 -16.294 1.00 0.00 C ATOM 68 CG1 VAL A 40 -2.354 -4.743 -17.271 1.00 0.00 C ATOM 69 CG2 VAL A 40 -1.869 -7.032 -16.399 1.00 0.00 C ATOM 0 H VAL A 40 -4.152 -6.828 -14.317 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.783 -4.962 -14.558 1.00 0.00 H new ATOM 0 HB VAL A 40 -3.827 -6.134 -16.541 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -2.378 -5.135 -18.288 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -3.021 -3.884 -17.197 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.338 -4.435 -17.025 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.890 -7.423 -17.416 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.854 -6.723 -16.150 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.192 -7.808 -15.706 1.00 0.00 H new ATOM 79 N ARG A 41 -3.075 -2.924 -14.427 1.00 0.00 N ATOM 80 CA ARG A 41 -3.851 -1.652 -14.317 1.00 0.00 C ATOM 81 C ARG A 41 -3.286 -0.654 -15.330 1.00 0.00 C ATOM 82 O ARG A 41 -2.102 -0.404 -15.345 1.00 0.00 O ATOM 83 CB ARG A 41 -3.606 -1.149 -12.894 1.00 0.00 C ATOM 84 CG ARG A 41 -4.260 -2.095 -11.887 1.00 0.00 C ATOM 85 CD ARG A 41 -4.309 -1.418 -10.517 1.00 0.00 C ATOM 86 NE ARG A 41 -2.882 -1.186 -10.156 1.00 0.00 N ATOM 87 CZ ARG A 41 -2.579 -0.404 -9.156 1.00 0.00 C ATOM 88 NH1 ARG A 41 -2.975 -0.704 -7.949 1.00 0.00 N ATOM 89 NH2 ARG A 41 -1.878 0.677 -9.363 1.00 0.00 N ATOM 0 H ARG A 41 -2.077 -2.835 -14.238 1.00 0.00 H new ATOM 0 HA ARG A 41 -4.915 -1.784 -14.515 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -2.535 -1.083 -12.702 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -4.013 -0.144 -12.779 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -5.267 -2.353 -12.214 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -3.696 -3.026 -11.826 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -4.864 -0.481 -10.559 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -4.806 -2.050 -9.781 1.00 0.00 H new ATOM 0 HE ARG A 41 -2.141 -1.639 -10.691 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -3.521 -1.550 -7.787 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -2.738 -0.093 -7.168 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -1.567 0.910 -10.306 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -1.641 1.289 -8.582 1.00 0.00 H new ATOM 103 N HIS A 42 -4.090 -0.094 -16.192 1.00 0.00 N ATOM 104 CA HIS A 42 -3.509 0.854 -17.188 1.00 0.00 C ATOM 105 C HIS A 42 -4.448 2.025 -17.497 1.00 0.00 C ATOM 106 O HIS A 42 -5.553 2.114 -17.003 1.00 0.00 O ATOM 107 CB HIS A 42 -3.283 0.007 -18.445 1.00 0.00 C ATOM 108 CG HIS A 42 -4.582 -0.158 -19.189 1.00 0.00 C ATOM 109 ND1 HIS A 42 -4.747 0.271 -20.496 1.00 0.00 N ATOM 110 CD2 HIS A 42 -5.791 -0.689 -18.814 1.00 0.00 C ATOM 111 CE1 HIS A 42 -6.014 -0.005 -20.857 1.00 0.00 C ATOM 112 NE2 HIS A 42 -6.694 -0.591 -19.868 1.00 0.00 N ATOM 0 H HIS A 42 -5.097 -0.245 -16.252 1.00 0.00 H new ATOM 0 HA HIS A 42 -2.594 1.308 -16.808 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -2.543 0.484 -19.088 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -2.884 -0.969 -18.170 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -6.008 -1.118 -17.847 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -6.430 0.220 -21.828 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -7.666 -0.900 -19.882 1.00 0.00 H new ATOM 120 N ILE A 43 -4.004 2.915 -18.343 1.00 0.00 N ATOM 121 CA ILE A 43 -4.843 4.080 -18.732 1.00 0.00 C ATOM 122 C ILE A 43 -5.038 4.062 -20.247 1.00 0.00 C ATOM 123 O ILE A 43 -4.105 3.833 -20.994 1.00 0.00 O ATOM 124 CB ILE A 43 -4.040 5.314 -18.318 1.00 0.00 C ATOM 125 CG1 ILE A 43 -3.929 5.366 -16.795 1.00 0.00 C ATOM 126 CG2 ILE A 43 -4.745 6.575 -18.821 1.00 0.00 C ATOM 127 CD1 ILE A 43 -2.846 6.373 -16.400 1.00 0.00 C ATOM 0 H ILE A 43 -3.085 2.882 -18.785 1.00 0.00 H new ATOM 0 HA ILE A 43 -5.826 4.068 -18.262 1.00 0.00 H new ATOM 0 HB ILE A 43 -3.042 5.258 -18.752 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -4.886 5.654 -16.359 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -3.684 4.379 -16.403 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -4.172 7.454 -18.526 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -4.822 6.540 -19.908 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -5.744 6.630 -18.388 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -2.765 6.412 -15.314 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -1.891 6.065 -16.825 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -3.111 7.360 -16.780 1.00 0.00 H new ATOM 139 N LEU A 44 -6.231 4.288 -20.712 1.00 0.00 N ATOM 140 CA LEU A 44 -6.458 4.268 -22.181 1.00 0.00 C ATOM 141 C LEU A 44 -6.783 5.667 -22.695 1.00 0.00 C ATOM 142 O LEU A 44 -7.757 6.278 -22.300 1.00 0.00 O ATOM 143 CB LEU A 44 -7.638 3.326 -22.392 1.00 0.00 C ATOM 144 CG LEU A 44 -7.225 2.225 -23.365 1.00 0.00 C ATOM 145 CD1 LEU A 44 -8.283 1.124 -23.374 1.00 0.00 C ATOM 146 CD2 LEU A 44 -7.088 2.816 -24.770 1.00 0.00 C ATOM 0 H LEU A 44 -7.055 4.485 -20.143 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.573 3.936 -22.725 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -7.948 2.892 -21.442 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.493 3.875 -22.786 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.270 1.803 -23.052 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -7.986 0.339 -24.070 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -8.380 0.704 -22.373 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -9.240 1.542 -23.686 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -6.793 2.032 -25.467 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -8.043 3.238 -25.082 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -6.330 3.599 -24.763 1.00 0.00 H new ATOM 158 N CYS A 45 -5.972 6.175 -23.578 1.00 0.00 N ATOM 159 CA CYS A 45 -6.223 7.532 -24.133 1.00 0.00 C ATOM 160 C CYS A 45 -6.150 7.484 -25.657 1.00 0.00 C ATOM 161 O CYS A 45 -5.715 6.509 -26.234 1.00 0.00 O ATOM 162 CB CYS A 45 -5.106 8.412 -23.573 1.00 0.00 C ATOM 163 SG CYS A 45 -4.930 8.113 -21.798 1.00 0.00 S ATOM 0 H CYS A 45 -5.142 5.706 -23.941 1.00 0.00 H new ATOM 0 HA CYS A 45 -7.208 7.914 -23.864 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -4.168 8.195 -24.083 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -5.332 9.463 -23.754 1.00 0.00 H new ATOM 0 HG CYS A 45 -5.008 9.242 -21.158 1.00 0.00 H new ATOM 169 N GLU A 46 -6.571 8.524 -26.316 1.00 0.00 N ATOM 170 CA GLU A 46 -6.524 8.527 -27.804 1.00 0.00 C ATOM 171 C GLU A 46 -5.170 9.056 -28.292 1.00 0.00 C ATOM 172 O GLU A 46 -4.258 9.257 -27.515 1.00 0.00 O ATOM 173 CB GLU A 46 -7.669 9.444 -28.221 1.00 0.00 C ATOM 174 CG GLU A 46 -8.995 8.706 -28.026 1.00 0.00 C ATOM 175 CD GLU A 46 -10.156 9.604 -28.455 1.00 0.00 C ATOM 176 OE1 GLU A 46 -10.122 10.779 -28.131 1.00 0.00 O ATOM 177 OE2 GLU A 46 -11.061 9.100 -29.099 1.00 0.00 O ATOM 0 H GLU A 46 -6.945 9.372 -25.890 1.00 0.00 H new ATOM 0 HA GLU A 46 -6.630 7.531 -28.234 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -7.656 10.357 -27.626 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -7.553 9.741 -29.263 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -8.999 7.786 -28.611 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -9.112 8.419 -26.981 1.00 0.00 H new ATOM 184 N LYS A 47 -5.019 9.262 -29.574 1.00 0.00 N ATOM 185 CA LYS A 47 -3.707 9.751 -30.099 1.00 0.00 C ATOM 186 C LYS A 47 -3.758 11.247 -30.429 1.00 0.00 C ATOM 187 O LYS A 47 -4.283 11.648 -31.448 1.00 0.00 O ATOM 188 CB LYS A 47 -3.474 8.935 -31.367 1.00 0.00 C ATOM 189 CG LYS A 47 -3.110 7.498 -30.988 1.00 0.00 C ATOM 190 CD LYS A 47 -2.303 6.851 -32.115 1.00 0.00 C ATOM 191 CE LYS A 47 -3.200 6.660 -33.339 1.00 0.00 C ATOM 192 NZ LYS A 47 -2.541 5.588 -34.135 1.00 0.00 N ATOM 0 H LYS A 47 -5.742 9.114 -30.278 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.909 9.631 -29.367 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -4.370 8.943 -31.987 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.674 9.381 -31.957 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -2.531 7.492 -30.064 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -4.016 6.922 -30.800 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -1.449 7.478 -32.371 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.907 5.890 -31.788 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -4.210 6.371 -33.047 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -3.286 7.582 -33.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -3.098 5.400 -34.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -1.584 5.894 -34.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -2.480 4.720 -33.565 1.00 0.00 H new ATOM 206 N HIS A 48 -3.222 12.075 -29.570 1.00 0.00 N ATOM 207 CA HIS A 48 -3.252 13.543 -29.828 1.00 0.00 C ATOM 208 C HIS A 48 -1.886 14.190 -29.553 1.00 0.00 C ATOM 209 O HIS A 48 -1.743 15.396 -29.607 1.00 0.00 O ATOM 210 CB HIS A 48 -4.313 14.061 -28.864 1.00 0.00 C ATOM 211 CG HIS A 48 -5.601 13.364 -29.183 1.00 0.00 C ATOM 212 ND1 HIS A 48 -6.470 12.911 -28.206 1.00 0.00 N ATOM 213 CD2 HIS A 48 -6.165 13.009 -30.381 1.00 0.00 C ATOM 214 CE1 HIS A 48 -7.499 12.313 -28.832 1.00 0.00 C ATOM 215 NE2 HIS A 48 -7.363 12.345 -30.158 1.00 0.00 N ATOM 0 H HIS A 48 -2.765 11.797 -28.702 1.00 0.00 H new ATOM 0 HA HIS A 48 -3.477 13.779 -30.868 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -4.019 13.867 -27.832 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -4.427 15.140 -28.966 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -5.741 13.215 -31.353 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -8.336 11.861 -28.321 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -8.001 11.964 -30.857 1.00 0.00 H new ATOM 223 N GLY A 49 -0.882 13.403 -29.275 1.00 0.00 N ATOM 224 CA GLY A 49 0.472 13.980 -29.017 1.00 0.00 C ATOM 225 C GLY A 49 0.696 14.167 -27.512 1.00 0.00 C ATOM 226 O GLY A 49 1.594 14.872 -27.094 1.00 0.00 O ATOM 0 H GLY A 49 -0.939 12.386 -29.215 1.00 0.00 H new ATOM 0 HA2 GLY A 49 1.239 13.322 -29.426 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.569 14.938 -29.527 1.00 0.00 H new ATOM 230 N LYS A 50 -0.110 13.548 -26.694 1.00 0.00 N ATOM 231 CA LYS A 50 0.063 13.698 -25.220 1.00 0.00 C ATOM 232 C LYS A 50 0.866 12.524 -24.652 1.00 0.00 C ATOM 233 O LYS A 50 1.021 12.389 -23.455 1.00 0.00 O ATOM 234 CB LYS A 50 -1.357 13.703 -24.655 1.00 0.00 C ATOM 235 CG LYS A 50 -2.027 15.035 -24.989 1.00 0.00 C ATOM 236 CD LYS A 50 -3.511 14.973 -24.626 1.00 0.00 C ATOM 237 CE LYS A 50 -4.174 16.306 -24.981 1.00 0.00 C ATOM 238 NZ LYS A 50 -5.427 15.937 -25.697 1.00 0.00 N ATOM 0 H LYS A 50 -0.881 12.945 -26.982 1.00 0.00 H new ATOM 0 HA LYS A 50 0.610 14.605 -24.960 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -1.931 12.878 -25.076 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -1.332 13.556 -23.575 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -1.543 15.844 -24.442 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -1.912 15.255 -26.050 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -3.995 14.158 -25.164 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -3.629 14.767 -23.562 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -4.389 16.890 -24.086 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -3.525 16.914 -25.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -5.937 16.801 -25.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -5.192 15.388 -26.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -6.029 15.365 -25.071 1.00 0.00 H new ATOM 252 N ILE A 51 1.381 11.679 -25.500 1.00 0.00 N ATOM 253 CA ILE A 51 2.175 10.522 -25.000 1.00 0.00 C ATOM 254 C ILE A 51 3.167 10.994 -23.932 1.00 0.00 C ATOM 255 O ILE A 51 3.155 10.528 -22.807 1.00 0.00 O ATOM 256 CB ILE A 51 2.915 9.992 -26.227 1.00 0.00 C ATOM 257 CG1 ILE A 51 1.918 9.309 -27.165 1.00 0.00 C ATOM 258 CG2 ILE A 51 3.969 8.978 -25.786 1.00 0.00 C ATOM 259 CD1 ILE A 51 2.560 9.106 -28.539 1.00 0.00 C ATOM 0 H ILE A 51 1.287 11.738 -26.514 1.00 0.00 H new ATOM 0 HA ILE A 51 1.552 9.755 -24.541 1.00 0.00 H new ATOM 0 HB ILE A 51 3.399 10.820 -26.746 1.00 0.00 H new ATOM 0 HG12 ILE A 51 1.612 8.349 -26.750 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.018 9.916 -27.259 1.00 0.00 H new ATOM 0 HG21 ILE A 51 4.498 8.599 -26.661 1.00 0.00 H new ATOM 0 HG22 ILE A 51 4.679 9.460 -25.114 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.484 8.150 -25.269 1.00 0.00 H new ATOM 0 HD11 ILE A 51 1.848 8.619 -29.205 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.843 10.073 -28.955 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.447 8.481 -28.437 1.00 0.00 H new ATOM 271 N MET A 52 4.017 11.923 -24.276 1.00 0.00 N ATOM 272 CA MET A 52 5.005 12.437 -23.285 1.00 0.00 C ATOM 273 C MET A 52 4.274 13.156 -22.147 1.00 0.00 C ATOM 274 O MET A 52 4.627 13.033 -20.992 1.00 0.00 O ATOM 275 CB MET A 52 5.872 13.425 -24.067 1.00 0.00 C ATOM 276 CG MET A 52 6.709 12.671 -25.101 1.00 0.00 C ATOM 277 SD MET A 52 7.890 13.813 -25.861 1.00 0.00 S ATOM 278 CE MET A 52 8.882 12.573 -26.728 1.00 0.00 C ATOM 0 H MET A 52 4.070 12.349 -25.201 1.00 0.00 H new ATOM 0 HA MET A 52 5.598 11.640 -22.837 1.00 0.00 H new ATOM 0 HB2 MET A 52 5.242 14.163 -24.563 1.00 0.00 H new ATOM 0 HB3 MET A 52 6.524 13.970 -23.385 1.00 0.00 H new ATOM 0 HG2 MET A 52 7.238 11.845 -24.625 1.00 0.00 H new ATOM 0 HG3 MET A 52 6.062 12.238 -25.864 1.00 0.00 H new ATOM 0 HE1 MET A 52 9.685 13.067 -27.274 1.00 0.00 H new ATOM 0 HE2 MET A 52 9.309 11.878 -26.005 1.00 0.00 H new ATOM 0 HE3 MET A 52 8.250 12.026 -27.428 1.00 0.00 H new ATOM 288 N GLU A 53 3.257 13.907 -22.469 1.00 0.00 N ATOM 289 CA GLU A 53 2.499 14.637 -21.413 1.00 0.00 C ATOM 290 C GLU A 53 1.754 13.645 -20.516 1.00 0.00 C ATOM 291 O GLU A 53 1.409 13.948 -19.392 1.00 0.00 O ATOM 292 CB GLU A 53 1.511 15.517 -22.179 1.00 0.00 C ATOM 293 CG GLU A 53 0.674 16.330 -21.190 1.00 0.00 C ATOM 294 CD GLU A 53 1.313 17.705 -20.992 1.00 0.00 C ATOM 295 OE1 GLU A 53 2.389 17.759 -20.420 1.00 0.00 O ATOM 296 OE2 GLU A 53 0.715 18.680 -21.416 1.00 0.00 O ATOM 0 H GLU A 53 2.917 14.047 -23.420 1.00 0.00 H new ATOM 0 HA GLU A 53 3.150 15.223 -20.763 1.00 0.00 H new ATOM 0 HB2 GLU A 53 2.049 16.186 -22.851 1.00 0.00 H new ATOM 0 HB3 GLU A 53 0.861 14.898 -22.798 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.344 16.441 -21.563 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.609 15.807 -20.236 1.00 0.00 H new ATOM 303 N ALA A 54 1.506 12.461 -21.005 1.00 0.00 N ATOM 304 CA ALA A 54 0.785 11.451 -20.177 1.00 0.00 C ATOM 305 C ALA A 54 1.725 10.869 -19.117 1.00 0.00 C ATOM 306 O ALA A 54 1.482 10.980 -17.931 1.00 0.00 O ATOM 307 CB ALA A 54 0.352 10.367 -21.165 1.00 0.00 C ATOM 0 H ALA A 54 1.770 12.149 -21.939 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.064 11.881 -19.646 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.187 9.584 -20.632 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.298 10.804 -21.923 1.00 0.00 H new ATOM 0 HB3 ALA A 54 1.232 9.939 -21.645 1.00 0.00 H new ATOM 313 N MET A 55 2.793 10.247 -19.535 1.00 0.00 N ATOM 314 CA MET A 55 3.746 9.652 -18.552 1.00 0.00 C ATOM 315 C MET A 55 4.257 10.717 -17.574 1.00 0.00 C ATOM 316 O MET A 55 4.537 10.432 -16.426 1.00 0.00 O ATOM 317 CB MET A 55 4.901 9.114 -19.397 1.00 0.00 C ATOM 318 CG MET A 55 5.689 10.285 -19.987 1.00 0.00 C ATOM 319 SD MET A 55 6.874 9.660 -21.205 1.00 0.00 S ATOM 320 CE MET A 55 8.065 11.019 -21.085 1.00 0.00 C ATOM 0 H MET A 55 3.048 10.124 -20.515 1.00 0.00 H new ATOM 0 HA MET A 55 3.274 8.875 -17.951 1.00 0.00 H new ATOM 0 HB2 MET A 55 5.555 8.493 -18.785 1.00 0.00 H new ATOM 0 HB3 MET A 55 4.517 8.481 -20.197 1.00 0.00 H new ATOM 0 HG2 MET A 55 5.009 10.996 -20.457 1.00 0.00 H new ATOM 0 HG3 MET A 55 6.213 10.821 -19.195 1.00 0.00 H new ATOM 0 HE1 MET A 55 8.896 10.836 -21.766 1.00 0.00 H new ATOM 0 HE2 MET A 55 7.576 11.956 -21.352 1.00 0.00 H new ATOM 0 HE3 MET A 55 8.441 11.084 -20.064 1.00 0.00 H new ATOM 330 N GLU A 56 4.391 11.938 -18.018 1.00 0.00 N ATOM 331 CA GLU A 56 4.894 13.009 -17.107 1.00 0.00 C ATOM 332 C GLU A 56 3.835 13.361 -16.057 1.00 0.00 C ATOM 333 O GLU A 56 4.137 13.540 -14.893 1.00 0.00 O ATOM 334 CB GLU A 56 5.170 14.207 -18.015 1.00 0.00 C ATOM 335 CG GLU A 56 6.464 13.968 -18.799 1.00 0.00 C ATOM 336 CD GLU A 56 7.632 14.640 -18.075 1.00 0.00 C ATOM 337 OE1 GLU A 56 7.497 15.800 -17.722 1.00 0.00 O ATOM 338 OE2 GLU A 56 8.643 13.983 -17.886 1.00 0.00 O ATOM 0 H GLU A 56 4.175 12.240 -18.968 1.00 0.00 H new ATOM 0 HA GLU A 56 5.785 12.697 -16.562 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.338 14.354 -18.703 1.00 0.00 H new ATOM 0 HB3 GLU A 56 5.256 15.116 -17.419 1.00 0.00 H new ATOM 0 HG2 GLU A 56 6.650 12.898 -18.897 1.00 0.00 H new ATOM 0 HG3 GLU A 56 6.369 14.369 -19.808 1.00 0.00 H new ATOM 345 N LYS A 57 2.595 13.466 -16.457 1.00 0.00 N ATOM 346 CA LYS A 57 1.523 13.811 -15.478 1.00 0.00 C ATOM 347 C LYS A 57 1.377 12.700 -14.430 1.00 0.00 C ATOM 348 O LYS A 57 1.387 12.956 -13.242 1.00 0.00 O ATOM 349 CB LYS A 57 0.248 13.942 -16.314 1.00 0.00 C ATOM 350 CG LYS A 57 0.321 15.220 -17.157 1.00 0.00 C ATOM 351 CD LYS A 57 0.234 16.445 -16.242 1.00 0.00 C ATOM 352 CE LYS A 57 0.454 17.719 -17.066 1.00 0.00 C ATOM 353 NZ LYS A 57 1.929 17.801 -17.273 1.00 0.00 N ATOM 0 H LYS A 57 2.279 13.328 -17.417 1.00 0.00 H new ATOM 0 HA LYS A 57 1.744 14.727 -14.931 1.00 0.00 H new ATOM 0 HB2 LYS A 57 0.133 13.072 -16.961 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -0.626 13.972 -15.663 1.00 0.00 H new ATOM 0 HG2 LYS A 57 1.252 15.242 -17.723 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -0.493 15.236 -17.882 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -0.740 16.479 -15.754 1.00 0.00 H new ATOM 0 HD3 LYS A 57 0.983 16.376 -15.453 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -0.075 17.669 -18.018 1.00 0.00 H new ATOM 0 HE3 LYS A 57 0.081 18.598 -16.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 2.294 18.668 -16.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 2.387 16.973 -16.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 2.136 17.819 -18.292 1.00 0.00 H new ATOM 367 N LEU A 58 1.251 11.469 -14.853 1.00 0.00 N ATOM 368 CA LEU A 58 1.115 10.359 -13.863 1.00 0.00 C ATOM 369 C LEU A 58 2.496 10.021 -13.277 1.00 0.00 C ATOM 370 O LEU A 58 2.603 9.367 -12.259 1.00 0.00 O ATOM 371 CB LEU A 58 0.526 9.178 -14.650 1.00 0.00 C ATOM 372 CG LEU A 58 1.577 8.605 -15.600 1.00 0.00 C ATOM 373 CD1 LEU A 58 2.228 7.382 -14.961 1.00 0.00 C ATOM 374 CD2 LEU A 58 0.919 8.180 -16.914 1.00 0.00 C ATOM 0 H LEU A 58 1.236 11.185 -15.833 1.00 0.00 H new ATOM 0 HA LEU A 58 0.473 10.619 -13.021 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.187 8.405 -13.961 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.346 9.506 -15.215 1.00 0.00 H new ATOM 0 HG LEU A 58 2.328 9.370 -15.797 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.978 6.973 -15.638 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.705 7.671 -14.024 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.467 6.627 -14.763 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.676 7.773 -17.585 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.164 7.419 -16.714 1.00 0.00 H new ATOM 0 HD23 LEU A 58 0.447 9.045 -17.381 1.00 0.00 H new ATOM 386 N LYS A 59 3.541 10.495 -13.915 1.00 0.00 N ATOM 387 CA LYS A 59 4.946 10.259 -13.433 1.00 0.00 C ATOM 388 C LYS A 59 5.060 9.011 -12.543 1.00 0.00 C ATOM 389 O LYS A 59 4.539 7.961 -12.861 1.00 0.00 O ATOM 390 CB LYS A 59 5.299 11.524 -12.646 1.00 0.00 C ATOM 391 CG LYS A 59 4.370 11.662 -11.439 1.00 0.00 C ATOM 392 CD LYS A 59 4.759 12.908 -10.640 1.00 0.00 C ATOM 393 CE LYS A 59 6.024 12.617 -9.826 1.00 0.00 C ATOM 394 NZ LYS A 59 5.537 12.161 -8.491 1.00 0.00 N ATOM 0 H LYS A 59 3.480 11.049 -14.770 1.00 0.00 H new ATOM 0 HA LYS A 59 5.625 10.074 -14.266 1.00 0.00 H new ATOM 0 HB2 LYS A 59 6.336 11.479 -12.314 1.00 0.00 H new ATOM 0 HB3 LYS A 59 5.208 12.400 -13.288 1.00 0.00 H new ATOM 0 HG2 LYS A 59 3.334 11.737 -11.770 1.00 0.00 H new ATOM 0 HG3 LYS A 59 4.440 10.775 -10.809 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.932 13.746 -11.315 1.00 0.00 H new ATOM 0 HD3 LYS A 59 3.944 13.196 -9.976 1.00 0.00 H new ATOM 0 HE2 LYS A 59 6.633 11.850 -10.306 1.00 0.00 H new ATOM 0 HE3 LYS A 59 6.646 13.507 -9.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 6.307 12.236 -7.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 4.740 12.758 -8.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 5.224 11.171 -8.555 1.00 0.00 H new ATOM 408 N SER A 60 5.750 9.118 -11.434 1.00 0.00 N ATOM 409 CA SER A 60 5.907 7.943 -10.527 1.00 0.00 C ATOM 410 C SER A 60 4.544 7.332 -10.198 1.00 0.00 C ATOM 411 O SER A 60 4.443 6.178 -9.830 1.00 0.00 O ATOM 412 CB SER A 60 6.567 8.502 -9.267 1.00 0.00 C ATOM 413 OG SER A 60 6.789 7.445 -8.342 1.00 0.00 O ATOM 0 H SER A 60 6.212 9.971 -11.119 1.00 0.00 H new ATOM 0 HA SER A 60 6.501 7.150 -10.981 1.00 0.00 H new ATOM 0 HB2 SER A 60 7.512 8.983 -9.521 1.00 0.00 H new ATOM 0 HB3 SER A 60 5.931 9.265 -8.818 1.00 0.00 H new ATOM 0 HG SER A 60 7.214 7.801 -7.534 1.00 0.00 H new ATOM 419 N GLY A 61 3.492 8.092 -10.331 1.00 0.00 N ATOM 420 CA GLY A 61 2.142 7.542 -10.028 1.00 0.00 C ATOM 421 C GLY A 61 1.423 8.449 -9.027 1.00 0.00 C ATOM 422 O GLY A 61 0.319 8.166 -8.606 1.00 0.00 O ATOM 0 H GLY A 61 3.509 9.066 -10.635 1.00 0.00 H new ATOM 0 HA2 GLY A 61 1.558 7.463 -10.945 1.00 0.00 H new ATOM 0 HA3 GLY A 61 2.233 6.535 -9.620 1.00 0.00 H new ATOM 426 N MET A 62 2.035 9.537 -8.643 1.00 0.00 N ATOM 427 CA MET A 62 1.370 10.455 -7.672 1.00 0.00 C ATOM 428 C MET A 62 0.017 10.897 -8.226 1.00 0.00 C ATOM 429 O MET A 62 -0.956 11.008 -7.507 1.00 0.00 O ATOM 430 CB MET A 62 2.306 11.655 -7.542 1.00 0.00 C ATOM 431 CG MET A 62 1.740 12.627 -6.504 1.00 0.00 C ATOM 432 SD MET A 62 2.792 14.097 -6.418 1.00 0.00 S ATOM 433 CE MET A 62 4.208 13.310 -5.615 1.00 0.00 C ATOM 0 H MET A 62 2.961 9.829 -8.957 1.00 0.00 H new ATOM 0 HA MET A 62 1.191 9.978 -6.709 1.00 0.00 H new ATOM 0 HB2 MET A 62 3.301 11.324 -7.243 1.00 0.00 H new ATOM 0 HB3 MET A 62 2.412 12.154 -8.505 1.00 0.00 H new ATOM 0 HG2 MET A 62 0.722 12.910 -6.772 1.00 0.00 H new ATOM 0 HG3 MET A 62 1.690 12.145 -5.528 1.00 0.00 H new ATOM 0 HE1 MET A 62 4.336 13.725 -4.615 1.00 0.00 H new ATOM 0 HE2 MET A 62 4.035 12.236 -5.543 1.00 0.00 H new ATOM 0 HE3 MET A 62 5.108 13.494 -6.202 1.00 0.00 H new ATOM 443 N ARG A 63 -0.050 11.151 -9.502 1.00 0.00 N ATOM 444 CA ARG A 63 -1.338 11.585 -10.107 1.00 0.00 C ATOM 445 C ARG A 63 -1.913 10.468 -10.978 1.00 0.00 C ATOM 446 O ARG A 63 -2.822 10.684 -11.748 1.00 0.00 O ATOM 447 CB ARG A 63 -0.990 12.804 -10.964 1.00 0.00 C ATOM 448 CG ARG A 63 -1.760 14.026 -10.458 1.00 0.00 C ATOM 449 CD ARG A 63 -1.430 15.241 -11.331 1.00 0.00 C ATOM 450 NE ARG A 63 -2.319 16.326 -10.832 1.00 0.00 N ATOM 451 CZ ARG A 63 -1.903 17.564 -10.828 1.00 0.00 C ATOM 452 NH1 ARG A 63 -1.770 18.213 -11.953 1.00 0.00 N ATOM 453 NH2 ARG A 63 -1.622 18.154 -9.698 1.00 0.00 N ATOM 0 H ARG A 63 0.732 11.077 -10.152 1.00 0.00 H new ATOM 0 HA ARG A 63 -2.087 11.821 -9.351 1.00 0.00 H new ATOM 0 HB2 ARG A 63 0.082 12.995 -10.923 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -1.240 12.611 -12.007 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -2.832 13.829 -10.483 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -1.497 14.230 -9.420 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -0.380 15.518 -11.241 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -1.615 15.032 -12.385 1.00 0.00 H new ATOM 0 HE ARG A 63 -3.254 16.102 -10.493 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -1.991 17.753 -12.836 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -1.445 19.180 -11.949 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -1.727 17.648 -8.819 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -1.297 19.121 -9.694 1.00 0.00 H new ATOM 467 N PHE A 64 -1.394 9.273 -10.867 1.00 0.00 N ATOM 468 CA PHE A 64 -1.932 8.161 -11.700 1.00 0.00 C ATOM 469 C PHE A 64 -3.452 8.103 -11.552 1.00 0.00 C ATOM 470 O PHE A 64 -4.178 8.050 -12.525 1.00 0.00 O ATOM 471 CB PHE A 64 -1.290 6.886 -11.154 1.00 0.00 C ATOM 472 CG PHE A 64 -1.694 5.714 -12.019 1.00 0.00 C ATOM 473 CD1 PHE A 64 -1.124 5.553 -13.289 1.00 0.00 C ATOM 474 CD2 PHE A 64 -2.639 4.792 -11.555 1.00 0.00 C ATOM 475 CE1 PHE A 64 -1.499 4.470 -14.092 1.00 0.00 C ATOM 476 CE2 PHE A 64 -3.014 3.708 -12.360 1.00 0.00 C ATOM 477 CZ PHE A 64 -2.444 3.547 -13.628 1.00 0.00 C ATOM 0 H PHE A 64 -0.628 9.022 -10.242 1.00 0.00 H new ATOM 0 HA PHE A 64 -1.709 8.292 -12.759 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -0.205 6.988 -11.143 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -1.605 6.719 -10.124 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -0.395 6.265 -13.648 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -3.079 4.916 -10.577 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -1.059 4.346 -15.071 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -3.743 2.996 -12.002 1.00 0.00 H new ATOM 0 HZ PHE A 64 -2.733 2.711 -14.248 1.00 0.00 H new ATOM 487 N ASN A 65 -3.942 8.126 -10.341 1.00 0.00 N ATOM 488 CA ASN A 65 -5.416 8.088 -10.140 1.00 0.00 C ATOM 489 C ASN A 65 -6.058 9.268 -10.872 1.00 0.00 C ATOM 490 O ASN A 65 -7.066 9.129 -11.537 1.00 0.00 O ATOM 491 CB ASN A 65 -5.616 8.210 -8.628 1.00 0.00 C ATOM 492 CG ASN A 65 -4.748 7.174 -7.912 1.00 0.00 C ATOM 493 OD1 ASN A 65 -4.933 5.986 -8.085 1.00 0.00 O ATOM 494 ND2 ASN A 65 -3.801 7.578 -7.109 1.00 0.00 N ATOM 0 H ASN A 65 -3.386 8.169 -9.487 1.00 0.00 H new ATOM 0 HA ASN A 65 -5.873 7.178 -10.529 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -5.351 9.214 -8.296 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -6.665 8.057 -8.376 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -3.216 6.896 -6.627 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -3.646 8.576 -6.964 1.00 0.00 H new ATOM 501 N GLU A 66 -5.468 10.430 -10.765 1.00 0.00 N ATOM 502 CA GLU A 66 -6.028 11.621 -11.464 1.00 0.00 C ATOM 503 C GLU A 66 -5.873 11.448 -12.976 1.00 0.00 C ATOM 504 O GLU A 66 -6.742 11.805 -13.747 1.00 0.00 O ATOM 505 CB GLU A 66 -5.190 12.802 -10.972 1.00 0.00 C ATOM 506 CG GLU A 66 -5.266 12.882 -9.447 1.00 0.00 C ATOM 507 CD GLU A 66 -4.563 14.153 -8.964 1.00 0.00 C ATOM 508 OE1 GLU A 66 -4.923 15.220 -9.432 1.00 0.00 O ATOM 509 OE2 GLU A 66 -3.677 14.036 -8.134 1.00 0.00 O ATOM 0 H GLU A 66 -4.622 10.604 -10.223 1.00 0.00 H new ATOM 0 HA GLU A 66 -7.089 11.766 -11.259 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -4.154 12.683 -11.289 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.555 13.729 -11.414 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -6.307 12.885 -9.124 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -4.797 12.004 -9.003 1.00 0.00 H new ATOM 516 N VAL A 67 -4.773 10.890 -13.402 1.00 0.00 N ATOM 517 CA VAL A 67 -4.558 10.679 -14.858 1.00 0.00 C ATOM 518 C VAL A 67 -5.629 9.724 -15.390 1.00 0.00 C ATOM 519 O VAL A 67 -6.539 10.124 -16.089 1.00 0.00 O ATOM 520 CB VAL A 67 -3.155 10.064 -14.969 1.00 0.00 C ATOM 521 CG1 VAL A 67 -2.854 9.712 -16.425 1.00 0.00 C ATOM 522 CG2 VAL A 67 -2.120 11.075 -14.470 1.00 0.00 C ATOM 0 H VAL A 67 -4.013 10.571 -12.801 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.630 11.598 -15.440 1.00 0.00 H new ATOM 0 HB VAL A 67 -3.111 9.158 -14.364 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.857 9.276 -16.495 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.590 8.994 -16.785 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -2.899 10.615 -17.034 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -1.122 10.643 -14.547 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -2.172 11.979 -15.077 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -2.328 11.325 -13.430 1.00 0.00 H new ATOM 532 N ALA A 68 -5.540 8.470 -15.046 1.00 0.00 N ATOM 533 CA ALA A 68 -6.563 7.491 -15.516 1.00 0.00 C ATOM 534 C ALA A 68 -7.971 8.040 -15.266 1.00 0.00 C ATOM 535 O ALA A 68 -8.809 8.060 -16.147 1.00 0.00 O ATOM 536 CB ALA A 68 -6.326 6.243 -14.668 1.00 0.00 C ATOM 0 H ALA A 68 -4.803 8.079 -14.459 1.00 0.00 H new ATOM 0 HA ALA A 68 -6.482 7.287 -16.584 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -7.040 5.470 -14.951 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -5.312 5.878 -14.833 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -6.456 6.489 -13.614 1.00 0.00 H new ATOM 542 N ALA A 69 -8.235 8.478 -14.065 1.00 0.00 N ATOM 543 CA ALA A 69 -9.586 9.021 -13.738 1.00 0.00 C ATOM 544 C ALA A 69 -10.096 9.928 -14.864 1.00 0.00 C ATOM 545 O ALA A 69 -11.253 9.879 -15.232 1.00 0.00 O ATOM 546 CB ALA A 69 -9.383 9.824 -12.454 1.00 0.00 C ATOM 0 H ALA A 69 -7.570 8.483 -13.292 1.00 0.00 H new ATOM 0 HA ALA A 69 -10.327 8.230 -13.619 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -10.333 10.259 -12.143 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -9.011 9.166 -11.668 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -8.660 10.620 -12.633 1.00 0.00 H new ATOM 552 N GLN A 70 -9.250 10.760 -15.406 1.00 0.00 N ATOM 553 CA GLN A 70 -9.701 11.667 -16.501 1.00 0.00 C ATOM 554 C GLN A 70 -9.155 11.188 -17.849 1.00 0.00 C ATOM 555 O GLN A 70 -9.502 11.710 -18.890 1.00 0.00 O ATOM 556 CB GLN A 70 -9.127 13.037 -16.139 1.00 0.00 C ATOM 557 CG GLN A 70 -9.570 14.071 -17.177 1.00 0.00 C ATOM 558 CD GLN A 70 -11.099 14.094 -17.259 1.00 0.00 C ATOM 559 OE1 GLN A 70 -11.732 14.991 -16.739 1.00 0.00 O ATOM 560 NE2 GLN A 70 -11.723 13.140 -17.895 1.00 0.00 N ATOM 0 H GLN A 70 -8.270 10.852 -15.140 1.00 0.00 H new ATOM 0 HA GLN A 70 -10.787 11.693 -16.596 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -9.467 13.334 -15.147 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -8.039 12.988 -16.101 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -9.195 15.058 -16.905 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -9.147 13.827 -18.152 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -11.192 12.386 -18.332 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -12.741 13.148 -17.955 1.00 0.00 H new ATOM 569 N TYR A 71 -8.308 10.195 -17.839 1.00 0.00 N ATOM 570 CA TYR A 71 -7.743 9.681 -19.119 1.00 0.00 C ATOM 571 C TYR A 71 -8.428 8.368 -19.504 1.00 0.00 C ATOM 572 O TYR A 71 -7.987 7.661 -20.388 1.00 0.00 O ATOM 573 CB TYR A 71 -6.261 9.444 -18.830 1.00 0.00 C ATOM 574 CG TYR A 71 -5.508 10.747 -18.959 1.00 0.00 C ATOM 575 CD1 TYR A 71 -5.984 11.900 -18.322 1.00 0.00 C ATOM 576 CD2 TYR A 71 -4.333 10.801 -19.717 1.00 0.00 C ATOM 577 CE1 TYR A 71 -5.284 13.105 -18.443 1.00 0.00 C ATOM 578 CE2 TYR A 71 -3.634 12.007 -19.838 1.00 0.00 C ATOM 579 CZ TYR A 71 -4.108 13.159 -19.202 1.00 0.00 C ATOM 580 OH TYR A 71 -3.416 14.348 -19.322 1.00 0.00 O ATOM 0 H TYR A 71 -7.983 9.717 -16.999 1.00 0.00 H new ATOM 0 HA TYR A 71 -7.891 10.375 -19.946 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -6.136 9.037 -17.827 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -5.857 8.708 -19.525 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -6.891 11.859 -17.738 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -3.966 9.912 -20.208 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -5.650 13.994 -17.951 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -2.727 12.048 -20.423 1.00 0.00 H new ATOM 0 HH TYR A 71 -2.623 14.210 -19.881 1.00 0.00 H new ATOM 590 N SER A 72 -9.502 8.035 -18.843 1.00 0.00 N ATOM 591 CA SER A 72 -10.215 6.766 -19.164 1.00 0.00 C ATOM 592 C SER A 72 -11.157 6.970 -20.351 1.00 0.00 C ATOM 593 O SER A 72 -12.245 7.492 -20.209 1.00 0.00 O ATOM 594 CB SER A 72 -11.011 6.435 -17.905 1.00 0.00 C ATOM 595 OG SER A 72 -11.970 7.461 -17.674 1.00 0.00 O ATOM 0 H SER A 72 -9.918 8.588 -18.093 1.00 0.00 H new ATOM 0 HA SER A 72 -9.528 5.966 -19.439 1.00 0.00 H new ATOM 0 HB2 SER A 72 -11.510 5.473 -18.019 1.00 0.00 H new ATOM 0 HB3 SER A 72 -10.341 6.347 -17.049 1.00 0.00 H new ATOM 0 HG SER A 72 -12.568 7.530 -18.447 1.00 0.00 H new ATOM 601 N GLU A 73 -10.753 6.560 -21.520 1.00 0.00 N ATOM 602 CA GLU A 73 -11.632 6.730 -22.708 1.00 0.00 C ATOM 603 C GLU A 73 -12.230 5.380 -23.117 1.00 0.00 C ATOM 604 O GLU A 73 -12.673 5.201 -24.234 1.00 0.00 O ATOM 605 CB GLU A 73 -10.715 7.270 -23.805 1.00 0.00 C ATOM 606 CG GLU A 73 -9.789 6.154 -24.291 1.00 0.00 C ATOM 607 CD GLU A 73 -10.073 5.864 -25.765 1.00 0.00 C ATOM 608 OE1 GLU A 73 -10.540 6.762 -26.446 1.00 0.00 O ATOM 609 OE2 GLU A 73 -9.818 4.749 -26.189 1.00 0.00 O ATOM 0 H GLU A 73 -9.854 6.115 -21.704 1.00 0.00 H new ATOM 0 HA GLU A 73 -12.469 7.401 -22.514 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -11.309 7.651 -24.635 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -10.127 8.105 -23.424 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -8.748 6.448 -24.161 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -9.943 5.254 -23.696 1.00 0.00 H new ATOM 616 N ASP A 74 -12.248 4.430 -22.219 1.00 0.00 N ATOM 617 CA ASP A 74 -12.821 3.093 -22.562 1.00 0.00 C ATOM 618 C ASP A 74 -13.676 2.566 -21.406 1.00 0.00 C ATOM 619 O ASP A 74 -13.653 1.394 -21.090 1.00 0.00 O ATOM 620 CB ASP A 74 -11.614 2.183 -22.790 1.00 0.00 C ATOM 621 CG ASP A 74 -12.048 0.943 -23.574 1.00 0.00 C ATOM 622 OD1 ASP A 74 -13.240 0.780 -23.776 1.00 0.00 O ATOM 623 OD2 ASP A 74 -11.181 0.176 -23.959 1.00 0.00 O ATOM 0 H ASP A 74 -11.893 4.520 -21.267 1.00 0.00 H new ATOM 0 HA ASP A 74 -13.466 3.140 -23.439 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -10.839 2.720 -23.338 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -11.182 1.888 -21.834 1.00 0.00 H new ATOM 628 N LYS A 75 -14.429 3.423 -20.776 1.00 0.00 N ATOM 629 CA LYS A 75 -15.287 2.972 -19.643 1.00 0.00 C ATOM 630 C LYS A 75 -16.276 1.907 -20.121 1.00 0.00 C ATOM 631 O LYS A 75 -16.759 1.102 -19.351 1.00 0.00 O ATOM 632 CB LYS A 75 -16.034 4.226 -19.194 1.00 0.00 C ATOM 633 CG LYS A 75 -15.083 5.138 -18.422 1.00 0.00 C ATOM 634 CD LYS A 75 -15.844 6.368 -17.929 1.00 0.00 C ATOM 635 CE LYS A 75 -15.417 6.690 -16.496 1.00 0.00 C ATOM 636 NZ LYS A 75 -16.042 5.627 -15.660 1.00 0.00 N ATOM 0 H LYS A 75 -14.488 4.417 -20.996 1.00 0.00 H new ATOM 0 HA LYS A 75 -14.705 2.528 -18.835 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -16.436 4.752 -20.060 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -16.882 3.952 -18.566 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -14.653 4.601 -17.577 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -14.254 5.442 -19.062 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -15.643 7.219 -18.580 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -16.918 6.184 -17.968 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -14.332 6.683 -16.397 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -15.759 7.681 -16.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -16.384 6.042 -14.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -16.841 5.205 -16.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -15.338 4.891 -15.451 1.00 0.00 H new ATOM 650 N ALA A 76 -16.584 1.900 -21.389 1.00 0.00 N ATOM 651 CA ALA A 76 -17.546 0.890 -21.917 1.00 0.00 C ATOM 652 C ALA A 76 -16.980 -0.522 -21.744 1.00 0.00 C ATOM 653 O ALA A 76 -17.702 -1.461 -21.475 1.00 0.00 O ATOM 654 CB ALA A 76 -17.703 1.231 -23.398 1.00 0.00 C ATOM 0 H ALA A 76 -16.212 2.549 -22.082 1.00 0.00 H new ATOM 0 HA ALA A 76 -18.501 0.913 -21.391 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -18.398 0.531 -23.861 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -18.089 2.245 -23.499 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -16.734 1.161 -23.892 1.00 0.00 H new ATOM 660 N ARG A 77 -15.695 -0.677 -21.895 1.00 0.00 N ATOM 661 CA ARG A 77 -15.086 -2.028 -21.736 1.00 0.00 C ATOM 662 C ARG A 77 -14.383 -2.133 -20.380 1.00 0.00 C ATOM 663 O ARG A 77 -14.692 -2.990 -19.576 1.00 0.00 O ATOM 664 CB ARG A 77 -14.080 -2.144 -22.879 1.00 0.00 C ATOM 665 CG ARG A 77 -14.606 -3.133 -23.917 1.00 0.00 C ATOM 666 CD ARG A 77 -14.179 -2.688 -25.316 1.00 0.00 C ATOM 667 NE ARG A 77 -14.787 -3.688 -26.235 1.00 0.00 N ATOM 668 CZ ARG A 77 -14.027 -4.449 -26.973 1.00 0.00 C ATOM 669 NH1 ARG A 77 -13.342 -5.416 -26.423 1.00 0.00 N ATOM 670 NH2 ARG A 77 -13.953 -4.243 -28.261 1.00 0.00 N ATOM 0 H ARG A 77 -15.040 0.072 -22.121 1.00 0.00 H new ATOM 0 HA ARG A 77 -15.828 -2.825 -21.768 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -13.920 -1.168 -23.338 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -13.116 -2.479 -22.497 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -14.222 -4.132 -23.709 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -15.693 -3.192 -23.860 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -14.534 -1.681 -25.536 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -13.093 -2.671 -25.412 1.00 0.00 H new ATOM 0 HE ARG A 77 -15.802 -3.779 -26.288 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -13.402 -5.575 -25.417 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -12.747 -6.012 -26.999 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -14.489 -3.488 -28.688 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -13.359 -4.837 -28.839 1.00 0.00 H new ATOM 684 N GLN A 78 -13.443 -1.265 -20.119 1.00 0.00 N ATOM 685 CA GLN A 78 -12.726 -1.313 -18.812 1.00 0.00 C ATOM 686 C GLN A 78 -12.597 0.097 -18.230 1.00 0.00 C ATOM 687 O GLN A 78 -12.792 1.082 -18.915 1.00 0.00 O ATOM 688 CB GLN A 78 -11.345 -1.888 -19.130 1.00 0.00 C ATOM 689 CG GLN A 78 -10.557 -0.887 -19.973 1.00 0.00 C ATOM 690 CD GLN A 78 -9.835 -1.625 -21.102 1.00 0.00 C ATOM 691 OE1 GLN A 78 -8.700 -2.028 -20.950 1.00 0.00 O ATOM 692 NE2 GLN A 78 -10.449 -1.820 -22.238 1.00 0.00 N ATOM 0 H GLN A 78 -13.141 -0.526 -20.753 1.00 0.00 H new ATOM 0 HA GLN A 78 -13.256 -1.917 -18.075 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -10.808 -2.104 -18.206 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -11.447 -2.831 -19.667 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -11.229 -0.136 -20.387 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -9.835 -0.359 -19.350 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -11.403 -1.482 -22.367 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -9.975 -2.310 -22.996 1.00 0.00 H new ATOM 701 N GLY A 79 -12.273 0.202 -16.970 1.00 0.00 N ATOM 702 CA GLY A 79 -12.136 1.549 -16.346 1.00 0.00 C ATOM 703 C GLY A 79 -10.654 1.881 -16.157 1.00 0.00 C ATOM 704 O GLY A 79 -10.291 2.692 -15.328 1.00 0.00 O ATOM 0 H GLY A 79 -12.097 -0.586 -16.346 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -12.610 2.302 -16.976 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -12.649 1.569 -15.384 1.00 0.00 H new ATOM 708 N GLY A 80 -9.795 1.264 -16.923 1.00 0.00 N ATOM 709 CA GLY A 80 -8.338 1.549 -16.788 1.00 0.00 C ATOM 710 C GLY A 80 -7.678 0.477 -15.914 1.00 0.00 C ATOM 711 O GLY A 80 -6.497 0.529 -15.641 1.00 0.00 O ATOM 0 H GLY A 80 -10.039 0.576 -17.635 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -7.869 1.568 -17.772 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -8.190 2.534 -16.345 1.00 0.00 H new ATOM 715 N ASP A 81 -8.427 -0.491 -15.460 1.00 0.00 N ATOM 716 CA ASP A 81 -7.818 -1.545 -14.598 1.00 0.00 C ATOM 717 C ASP A 81 -8.264 -2.939 -15.042 1.00 0.00 C ATOM 718 O ASP A 81 -9.434 -3.194 -15.243 1.00 0.00 O ATOM 719 CB ASP A 81 -8.332 -1.251 -13.192 1.00 0.00 C ATOM 720 CG ASP A 81 -7.548 -0.080 -12.602 1.00 0.00 C ATOM 721 OD1 ASP A 81 -6.650 0.402 -13.272 1.00 0.00 O ATOM 722 OD2 ASP A 81 -7.857 0.315 -11.489 1.00 0.00 O ATOM 0 H ASP A 81 -9.424 -0.598 -15.646 1.00 0.00 H new ATOM 0 HA ASP A 81 -6.730 -1.532 -14.654 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -9.395 -1.013 -13.224 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -8.222 -2.132 -12.560 1.00 0.00 H new ATOM 727 N LEU A 82 -7.337 -3.845 -15.182 1.00 0.00 N ATOM 728 CA LEU A 82 -7.705 -5.228 -15.594 1.00 0.00 C ATOM 729 C LEU A 82 -7.510 -6.178 -14.412 1.00 0.00 C ATOM 730 O LEU A 82 -6.694 -5.942 -13.543 1.00 0.00 O ATOM 731 CB LEU A 82 -6.744 -5.575 -16.733 1.00 0.00 C ATOM 732 CG LEU A 82 -7.144 -4.804 -17.993 1.00 0.00 C ATOM 733 CD1 LEU A 82 -6.717 -3.343 -17.852 1.00 0.00 C ATOM 734 CD2 LEU A 82 -6.447 -5.420 -19.208 1.00 0.00 C ATOM 0 H LEU A 82 -6.341 -3.688 -15.029 1.00 0.00 H new ATOM 0 HA LEU A 82 -8.745 -5.311 -15.911 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -5.722 -5.324 -16.450 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -6.766 -6.647 -16.928 1.00 0.00 H new ATOM 0 HG LEU A 82 -8.225 -4.858 -18.125 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -7.001 -2.793 -18.749 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -7.209 -2.902 -16.985 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -5.636 -3.291 -17.722 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -6.731 -4.872 -20.107 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -5.367 -5.364 -19.075 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -6.747 -6.463 -19.309 1.00 0.00 H new ATOM 746 N GLY A 83 -8.259 -7.244 -14.363 1.00 0.00 N ATOM 747 CA GLY A 83 -8.120 -8.196 -13.227 1.00 0.00 C ATOM 748 C GLY A 83 -6.878 -9.070 -13.421 1.00 0.00 C ATOM 749 O GLY A 83 -5.795 -8.582 -13.721 1.00 0.00 O ATOM 0 H GLY A 83 -8.960 -7.497 -15.059 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -8.044 -7.646 -12.289 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -9.008 -8.824 -13.158 1.00 0.00 H new ATOM 753 N TRP A 84 -7.032 -10.359 -13.244 1.00 0.00 N ATOM 754 CA TRP A 84 -5.882 -11.293 -13.406 1.00 0.00 C ATOM 755 C TRP A 84 -5.866 -11.877 -14.822 1.00 0.00 C ATOM 756 O TRP A 84 -6.816 -12.496 -15.259 1.00 0.00 O ATOM 757 CB TRP A 84 -6.125 -12.407 -12.385 1.00 0.00 C ATOM 758 CG TRP A 84 -5.785 -11.928 -11.006 1.00 0.00 C ATOM 759 CD1 TRP A 84 -6.682 -11.467 -10.105 1.00 0.00 C ATOM 760 CD2 TRP A 84 -4.481 -11.866 -10.354 1.00 0.00 C ATOM 761 NE1 TRP A 84 -6.015 -11.125 -8.942 1.00 0.00 N ATOM 762 CE2 TRP A 84 -4.657 -11.353 -9.046 1.00 0.00 C ATOM 763 CE3 TRP A 84 -3.177 -12.201 -10.764 1.00 0.00 C ATOM 764 CZ2 TRP A 84 -3.579 -11.178 -8.176 1.00 0.00 C ATOM 765 CZ3 TRP A 84 -2.089 -12.026 -9.890 1.00 0.00 C ATOM 766 CH2 TRP A 84 -2.291 -11.515 -8.599 1.00 0.00 C ATOM 0 H TRP A 84 -7.914 -10.805 -12.992 1.00 0.00 H new ATOM 0 HA TRP A 84 -4.926 -10.792 -13.252 1.00 0.00 H new ATOM 0 HB2 TRP A 84 -7.168 -12.723 -12.421 1.00 0.00 H new ATOM 0 HB3 TRP A 84 -5.519 -13.278 -12.635 1.00 0.00 H new ATOM 0 HD1 TRP A 84 -7.746 -11.380 -10.267 1.00 0.00 H new ATOM 0 HE1 TRP A 84 -6.471 -10.750 -8.110 1.00 0.00 H new ATOM 0 HE3 TRP A 84 -3.011 -12.595 -11.756 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 -3.740 -10.785 -7.183 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -1.092 -12.286 -10.214 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -1.451 -11.382 -7.933 1.00 0.00 H new ATOM 777 N MET A 85 -4.790 -11.698 -15.538 1.00 0.00 N ATOM 778 CA MET A 85 -4.713 -12.255 -16.919 1.00 0.00 C ATOM 779 C MET A 85 -3.304 -12.788 -17.187 1.00 0.00 C ATOM 780 O MET A 85 -2.321 -12.175 -16.822 1.00 0.00 O ATOM 781 CB MET A 85 -5.040 -11.084 -17.848 1.00 0.00 C ATOM 782 CG MET A 85 -3.974 -9.997 -17.707 1.00 0.00 C ATOM 783 SD MET A 85 -4.469 -8.546 -18.672 1.00 0.00 S ATOM 784 CE MET A 85 -2.817 -8.068 -19.234 1.00 0.00 C ATOM 0 H MET A 85 -3.961 -11.191 -15.227 1.00 0.00 H new ATOM 0 HA MET A 85 -5.402 -13.086 -17.070 1.00 0.00 H new ATOM 0 HB2 MET A 85 -5.086 -11.429 -18.881 1.00 0.00 H new ATOM 0 HB3 MET A 85 -6.021 -10.677 -17.604 1.00 0.00 H new ATOM 0 HG2 MET A 85 -3.851 -9.726 -16.658 1.00 0.00 H new ATOM 0 HG3 MET A 85 -3.010 -10.369 -18.056 1.00 0.00 H new ATOM 0 HE1 MET A 85 -2.604 -7.049 -18.912 1.00 0.00 H new ATOM 0 HE2 MET A 85 -2.077 -8.746 -18.808 1.00 0.00 H new ATOM 0 HE3 MET A 85 -2.773 -8.121 -20.322 1.00 0.00 H new ATOM 794 N THR A 86 -3.195 -13.931 -17.807 1.00 0.00 N ATOM 795 CA THR A 86 -1.846 -14.502 -18.080 1.00 0.00 C ATOM 796 C THR A 86 -1.460 -14.305 -19.550 1.00 0.00 C ATOM 797 O THR A 86 -0.351 -13.920 -19.862 1.00 0.00 O ATOM 798 CB THR A 86 -1.975 -15.992 -17.756 1.00 0.00 C ATOM 799 OG1 THR A 86 -2.366 -16.147 -16.399 1.00 0.00 O ATOM 800 CG2 THR A 86 -0.631 -16.683 -17.986 1.00 0.00 C ATOM 0 H THR A 86 -3.980 -14.493 -18.136 1.00 0.00 H new ATOM 0 HA THR A 86 -1.071 -14.017 -17.487 1.00 0.00 H new ATOM 0 HB THR A 86 -2.727 -16.443 -18.404 1.00 0.00 H new ATOM 0 HG1 THR A 86 -3.162 -16.717 -16.351 1.00 0.00 H new ATOM 0 HG21 THR A 86 -0.723 -17.744 -17.755 1.00 0.00 H new ATOM 0 HG22 THR A 86 -0.334 -16.563 -19.028 1.00 0.00 H new ATOM 0 HG23 THR A 86 0.124 -16.235 -17.339 1.00 0.00 H new ATOM 808 N ARG A 87 -2.360 -14.573 -20.454 1.00 0.00 N ATOM 809 CA ARG A 87 -2.032 -14.406 -21.898 1.00 0.00 C ATOM 810 C ARG A 87 -1.971 -12.921 -22.269 1.00 0.00 C ATOM 811 O ARG A 87 -1.210 -12.520 -23.126 1.00 0.00 O ATOM 812 CB ARG A 87 -3.168 -15.108 -22.641 1.00 0.00 C ATOM 813 CG ARG A 87 -3.213 -16.578 -22.218 1.00 0.00 C ATOM 814 CD ARG A 87 -3.928 -17.400 -23.292 1.00 0.00 C ATOM 815 NE ARG A 87 -5.380 -17.229 -23.008 1.00 0.00 N ATOM 816 CZ ARG A 87 -6.011 -16.170 -23.439 1.00 0.00 C ATOM 817 NH1 ARG A 87 -5.741 -15.685 -24.620 1.00 0.00 N ATOM 818 NH2 ARG A 87 -6.913 -15.599 -22.687 1.00 0.00 N ATOM 0 H ARG A 87 -3.306 -14.900 -20.257 1.00 0.00 H new ATOM 0 HA ARG A 87 -1.058 -14.825 -22.152 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -4.119 -14.624 -22.418 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -3.016 -15.031 -23.718 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -2.201 -16.955 -22.071 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -3.732 -16.677 -21.265 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -3.677 -17.046 -24.292 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -3.638 -18.450 -23.244 1.00 0.00 H new ATOM 0 HE ARG A 87 -5.882 -17.940 -22.476 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -5.037 -16.133 -25.207 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -6.234 -14.858 -24.957 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -7.124 -15.980 -21.765 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -7.407 -14.772 -23.022 1.00 0.00 H new ATOM 832 N GLY A 88 -2.762 -12.103 -21.631 1.00 0.00 N ATOM 833 CA GLY A 88 -2.739 -10.646 -21.954 1.00 0.00 C ATOM 834 C GLY A 88 -4.161 -10.159 -22.243 1.00 0.00 C ATOM 835 O GLY A 88 -5.118 -10.624 -21.655 1.00 0.00 O ATOM 0 H GLY A 88 -3.421 -12.378 -20.903 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -2.315 -10.086 -21.121 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -2.100 -10.465 -22.818 1.00 0.00 H new ATOM 839 N SER A 89 -4.305 -9.226 -23.145 1.00 0.00 N ATOM 840 CA SER A 89 -5.664 -8.707 -23.476 1.00 0.00 C ATOM 841 C SER A 89 -5.964 -8.924 -24.962 1.00 0.00 C ATOM 842 O SER A 89 -6.885 -9.628 -25.324 1.00 0.00 O ATOM 843 CB SER A 89 -5.613 -7.213 -23.154 1.00 0.00 C ATOM 844 OG SER A 89 -6.856 -6.615 -23.498 1.00 0.00 O ATOM 0 H SER A 89 -3.540 -8.800 -23.668 1.00 0.00 H new ATOM 0 HA SER A 89 -6.446 -9.217 -22.914 1.00 0.00 H new ATOM 0 HB2 SER A 89 -5.406 -7.065 -22.094 1.00 0.00 H new ATOM 0 HB3 SER A 89 -4.803 -6.738 -23.707 1.00 0.00 H new ATOM 0 HG SER A 89 -6.927 -5.737 -23.068 1.00 0.00 H new ATOM 850 N MET A 90 -5.192 -8.320 -25.824 1.00 0.00 N ATOM 851 CA MET A 90 -5.430 -8.487 -27.287 1.00 0.00 C ATOM 852 C MET A 90 -4.102 -8.682 -28.025 1.00 0.00 C ATOM 853 O MET A 90 -3.668 -9.793 -28.255 1.00 0.00 O ATOM 854 CB MET A 90 -6.111 -7.188 -27.722 1.00 0.00 C ATOM 855 CG MET A 90 -7.464 -7.065 -27.019 1.00 0.00 C ATOM 856 SD MET A 90 -8.517 -8.459 -27.492 1.00 0.00 S ATOM 857 CE MET A 90 -9.141 -7.761 -29.039 1.00 0.00 C ATOM 0 H MET A 90 -4.406 -7.718 -25.579 1.00 0.00 H new ATOM 0 HA MET A 90 -6.040 -9.362 -27.512 1.00 0.00 H new ATOM 0 HB2 MET A 90 -5.481 -6.334 -27.475 1.00 0.00 H new ATOM 0 HB3 MET A 90 -6.248 -7.181 -28.803 1.00 0.00 H new ATOM 0 HG2 MET A 90 -7.324 -7.051 -25.938 1.00 0.00 H new ATOM 0 HG3 MET A 90 -7.943 -6.124 -27.291 1.00 0.00 H new ATOM 0 HE1 MET A 90 -9.928 -8.402 -29.436 1.00 0.00 H new ATOM 0 HE2 MET A 90 -9.544 -6.765 -28.853 1.00 0.00 H new ATOM 0 HE3 MET A 90 -8.328 -7.694 -29.762 1.00 0.00 H new ATOM 867 N VAL A 91 -3.452 -7.612 -28.402 1.00 0.00 N ATOM 868 CA VAL A 91 -2.154 -7.751 -29.128 1.00 0.00 C ATOM 869 C VAL A 91 -1.513 -6.377 -29.349 1.00 0.00 C ATOM 870 O VAL A 91 -2.077 -5.354 -29.015 1.00 0.00 O ATOM 871 CB VAL A 91 -2.522 -8.383 -30.469 1.00 0.00 C ATOM 872 CG1 VAL A 91 -3.246 -7.350 -31.335 1.00 0.00 C ATOM 873 CG2 VAL A 91 -1.249 -8.842 -31.184 1.00 0.00 C ATOM 0 H VAL A 91 -3.761 -6.653 -28.240 1.00 0.00 H new ATOM 0 HA VAL A 91 -1.434 -8.350 -28.570 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.174 -9.240 -30.300 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -3.510 -7.799 -32.293 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -4.152 -7.020 -30.827 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.592 -6.494 -31.503 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -1.512 -9.293 -32.141 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -0.598 -7.985 -31.354 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -0.730 -9.576 -30.567 1.00 0.00 H new ATOM 883 N GLY A 92 -0.338 -6.350 -29.920 1.00 0.00 N ATOM 884 CA GLY A 92 0.339 -5.047 -30.178 1.00 0.00 C ATOM 885 C GLY A 92 1.282 -4.704 -29.023 1.00 0.00 C ATOM 886 O GLY A 92 1.807 -5.579 -28.359 1.00 0.00 O ATOM 0 H GLY A 92 0.182 -7.175 -30.219 1.00 0.00 H new ATOM 0 HA2 GLY A 92 0.899 -5.099 -31.112 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -0.405 -4.259 -30.296 1.00 0.00 H new ATOM 890 N PRO A 93 1.459 -3.424 -28.825 1.00 0.00 N ATOM 891 CA PRO A 93 2.344 -2.927 -27.740 1.00 0.00 C ATOM 892 C PRO A 93 1.716 -3.216 -26.376 1.00 0.00 C ATOM 893 O PRO A 93 2.331 -3.033 -25.345 1.00 0.00 O ATOM 894 CB PRO A 93 2.418 -1.424 -28.003 1.00 0.00 C ATOM 895 CG PRO A 93 1.172 -1.106 -28.764 1.00 0.00 C ATOM 896 CD PRO A 93 0.850 -2.326 -29.583 1.00 0.00 C ATOM 0 HA PRO A 93 3.326 -3.399 -27.729 1.00 0.00 H new ATOM 0 HB2 PRO A 93 2.466 -0.862 -27.071 1.00 0.00 H new ATOM 0 HB3 PRO A 93 3.308 -1.167 -28.577 1.00 0.00 H new ATOM 0 HG2 PRO A 93 0.353 -0.867 -28.085 1.00 0.00 H new ATOM 0 HG3 PRO A 93 1.320 -0.236 -29.404 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -0.226 -2.463 -29.692 1.00 0.00 H new ATOM 0 HD3 PRO A 93 1.265 -2.255 -30.588 1.00 0.00 H new ATOM 904 N PHE A 94 0.495 -3.667 -26.369 1.00 0.00 N ATOM 905 CA PHE A 94 -0.185 -3.974 -25.082 1.00 0.00 C ATOM 906 C PHE A 94 0.328 -5.304 -24.514 1.00 0.00 C ATOM 907 O PHE A 94 0.675 -5.402 -23.354 1.00 0.00 O ATOM 908 CB PHE A 94 -1.665 -4.077 -25.453 1.00 0.00 C ATOM 909 CG PHE A 94 -2.528 -4.100 -24.208 1.00 0.00 C ATOM 910 CD1 PHE A 94 -1.945 -4.131 -22.932 1.00 0.00 C ATOM 911 CD2 PHE A 94 -3.921 -4.096 -24.336 1.00 0.00 C ATOM 912 CE1 PHE A 94 -2.757 -4.156 -21.790 1.00 0.00 C ATOM 913 CE2 PHE A 94 -4.732 -4.120 -23.194 1.00 0.00 C ATOM 914 CZ PHE A 94 -4.150 -4.150 -21.923 1.00 0.00 C ATOM 0 H PHE A 94 -0.065 -3.837 -27.204 1.00 0.00 H new ATOM 0 HA PHE A 94 -0.002 -3.219 -24.317 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -1.947 -3.233 -26.082 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -1.837 -4.981 -26.037 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -0.870 -4.136 -22.830 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -4.372 -4.074 -25.317 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -2.308 -4.180 -20.808 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -5.807 -4.115 -23.295 1.00 0.00 H new ATOM 0 HZ PHE A 94 -4.776 -4.169 -21.043 1.00 0.00 H new ATOM 924 N GLN A 95 0.376 -6.329 -25.322 1.00 0.00 N ATOM 925 CA GLN A 95 0.859 -7.652 -24.823 1.00 0.00 C ATOM 926 C GLN A 95 2.390 -7.681 -24.749 1.00 0.00 C ATOM 927 O GLN A 95 2.963 -8.107 -23.766 1.00 0.00 O ATOM 928 CB GLN A 95 0.364 -8.672 -25.849 1.00 0.00 C ATOM 929 CG GLN A 95 -1.137 -8.906 -25.667 1.00 0.00 C ATOM 930 CD GLN A 95 -1.522 -10.235 -26.318 1.00 0.00 C ATOM 931 OE1 GLN A 95 -1.454 -10.376 -27.523 1.00 0.00 O ATOM 932 NE2 GLN A 95 -1.926 -11.223 -25.569 1.00 0.00 N ATOM 0 H GLN A 95 0.102 -6.309 -26.304 1.00 0.00 H new ATOM 0 HA GLN A 95 0.490 -7.861 -23.819 1.00 0.00 H new ATOM 0 HB2 GLN A 95 0.565 -8.313 -26.858 1.00 0.00 H new ATOM 0 HB3 GLN A 95 0.904 -9.611 -25.731 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -1.389 -8.921 -24.607 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -1.702 -8.090 -26.118 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -1.983 -11.106 -24.557 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -2.185 -12.113 -25.995 1.00 0.00 H new ATOM 941 N GLU A 96 3.057 -7.250 -25.786 1.00 0.00 N ATOM 942 CA GLU A 96 4.549 -7.280 -25.773 1.00 0.00 C ATOM 943 C GLU A 96 5.112 -6.385 -24.663 1.00 0.00 C ATOM 944 O GLU A 96 6.240 -6.545 -24.245 1.00 0.00 O ATOM 945 CB GLU A 96 4.972 -6.768 -27.151 1.00 0.00 C ATOM 946 CG GLU A 96 4.656 -5.278 -27.270 1.00 0.00 C ATOM 947 CD GLU A 96 5.914 -4.524 -27.708 1.00 0.00 C ATOM 948 OE1 GLU A 96 6.788 -5.153 -28.279 1.00 0.00 O ATOM 949 OE2 GLU A 96 5.981 -3.331 -27.464 1.00 0.00 O ATOM 0 H GLU A 96 2.636 -6.880 -26.638 1.00 0.00 H new ATOM 0 HA GLU A 96 4.929 -8.282 -25.575 1.00 0.00 H new ATOM 0 HB2 GLU A 96 6.039 -6.936 -27.299 1.00 0.00 H new ATOM 0 HB3 GLU A 96 4.451 -7.323 -27.931 1.00 0.00 H new ATOM 0 HG2 GLU A 96 3.855 -5.122 -27.993 1.00 0.00 H new ATOM 0 HG3 GLU A 96 4.302 -4.893 -26.314 1.00 0.00 H new ATOM 956 N ALA A 97 4.348 -5.444 -24.180 1.00 0.00 N ATOM 957 CA ALA A 97 4.871 -4.555 -23.100 1.00 0.00 C ATOM 958 C ALA A 97 4.495 -5.106 -21.721 1.00 0.00 C ATOM 959 O ALA A 97 5.339 -5.312 -20.872 1.00 0.00 O ATOM 960 CB ALA A 97 4.204 -3.199 -23.336 1.00 0.00 C ATOM 0 H ALA A 97 3.393 -5.252 -24.482 1.00 0.00 H new ATOM 0 HA ALA A 97 5.958 -4.483 -23.124 1.00 0.00 H new ATOM 0 HB1 ALA A 97 4.541 -2.491 -22.579 1.00 0.00 H new ATOM 0 HB2 ALA A 97 4.474 -2.828 -24.325 1.00 0.00 H new ATOM 0 HB3 ALA A 97 3.122 -3.310 -23.273 1.00 0.00 H new ATOM 966 N ALA A 98 3.233 -5.335 -21.487 1.00 0.00 N ATOM 967 CA ALA A 98 2.799 -5.859 -20.160 1.00 0.00 C ATOM 968 C ALA A 98 3.605 -7.100 -19.758 1.00 0.00 C ATOM 969 O ALA A 98 4.174 -7.158 -18.685 1.00 0.00 O ATOM 970 CB ALA A 98 1.327 -6.226 -20.348 1.00 0.00 C ATOM 0 H ALA A 98 2.481 -5.182 -22.159 1.00 0.00 H new ATOM 0 HA ALA A 98 2.953 -5.124 -19.370 1.00 0.00 H new ATOM 0 HB1 ALA A 98 0.928 -6.622 -19.414 1.00 0.00 H new ATOM 0 HB2 ALA A 98 0.764 -5.338 -20.635 1.00 0.00 H new ATOM 0 HB3 ALA A 98 1.237 -6.981 -21.129 1.00 0.00 H new ATOM 976 N PHE A 99 3.638 -8.100 -20.594 1.00 0.00 N ATOM 977 CA PHE A 99 4.383 -9.345 -20.237 1.00 0.00 C ATOM 978 C PHE A 99 5.845 -9.278 -20.692 1.00 0.00 C ATOM 979 O PHE A 99 6.691 -9.982 -20.179 1.00 0.00 O ATOM 980 CB PHE A 99 3.643 -10.459 -20.976 1.00 0.00 C ATOM 981 CG PHE A 99 2.424 -10.860 -20.179 1.00 0.00 C ATOM 982 CD1 PHE A 99 1.209 -10.195 -20.379 1.00 0.00 C ATOM 983 CD2 PHE A 99 2.513 -11.891 -19.236 1.00 0.00 C ATOM 984 CE1 PHE A 99 0.080 -10.563 -19.636 1.00 0.00 C ATOM 985 CE2 PHE A 99 1.385 -12.257 -18.493 1.00 0.00 C ATOM 986 CZ PHE A 99 0.168 -11.593 -18.693 1.00 0.00 C ATOM 0 H PHE A 99 3.184 -8.112 -21.507 1.00 0.00 H new ATOM 0 HA PHE A 99 4.414 -9.501 -19.159 1.00 0.00 H new ATOM 0 HB2 PHE A 99 3.348 -10.119 -21.969 1.00 0.00 H new ATOM 0 HB3 PHE A 99 4.300 -11.318 -21.115 1.00 0.00 H new ATOM 0 HD1 PHE A 99 1.142 -9.399 -21.106 1.00 0.00 H new ATOM 0 HD2 PHE A 99 3.451 -12.403 -19.082 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -0.859 -10.052 -19.791 1.00 0.00 H new ATOM 0 HE2 PHE A 99 1.453 -13.052 -17.765 1.00 0.00 H new ATOM 0 HZ PHE A 99 -0.702 -11.876 -18.119 1.00 0.00 H new ATOM 996 N ALA A 100 6.156 -8.450 -21.650 1.00 0.00 N ATOM 997 CA ALA A 100 7.570 -8.369 -22.120 1.00 0.00 C ATOM 998 C ALA A 100 8.131 -6.961 -21.907 1.00 0.00 C ATOM 999 O ALA A 100 8.957 -6.489 -22.662 1.00 0.00 O ATOM 1000 CB ALA A 100 7.513 -8.709 -23.609 1.00 0.00 C ATOM 0 H ALA A 100 5.500 -7.830 -22.125 1.00 0.00 H new ATOM 0 HA ALA A 100 8.223 -9.048 -21.571 1.00 0.00 H new ATOM 0 HB1 ALA A 100 8.518 -8.671 -24.030 1.00 0.00 H new ATOM 0 HB2 ALA A 100 7.103 -9.711 -23.738 1.00 0.00 H new ATOM 0 HB3 ALA A 100 6.877 -7.988 -24.123 1.00 0.00 H new ATOM 1006 N LEU A 101 7.694 -6.287 -20.876 1.00 0.00 N ATOM 1007 CA LEU A 101 8.209 -4.913 -20.612 1.00 0.00 C ATOM 1008 C LEU A 101 9.735 -4.934 -20.497 1.00 0.00 C ATOM 1009 O LEU A 101 10.302 -5.844 -19.925 1.00 0.00 O ATOM 1010 CB LEU A 101 7.583 -4.498 -19.277 1.00 0.00 C ATOM 1011 CG LEU A 101 7.672 -2.978 -19.123 1.00 0.00 C ATOM 1012 CD1 LEU A 101 6.719 -2.307 -20.114 1.00 0.00 C ATOM 1013 CD2 LEU A 101 7.280 -2.583 -17.698 1.00 0.00 C ATOM 0 H LEU A 101 7.004 -6.628 -20.207 1.00 0.00 H new ATOM 0 HA LEU A 101 7.956 -4.220 -21.414 1.00 0.00 H new ATOM 0 HB2 LEU A 101 6.542 -4.818 -19.236 1.00 0.00 H new ATOM 0 HB3 LEU A 101 8.100 -4.989 -18.452 1.00 0.00 H new ATOM 0 HG LEU A 101 8.694 -2.655 -19.323 1.00 0.00 H new ATOM 0 HD11 LEU A 101 6.783 -1.224 -20.004 1.00 0.00 H new ATOM 0 HD12 LEU A 101 6.996 -2.585 -21.131 1.00 0.00 H new ATOM 0 HD13 LEU A 101 5.698 -2.633 -19.914 1.00 0.00 H new ATOM 0 HD21 LEU A 101 7.344 -1.500 -17.590 1.00 0.00 H new ATOM 0 HD22 LEU A 101 6.259 -2.908 -17.498 1.00 0.00 H new ATOM 0 HD23 LEU A 101 7.957 -3.059 -16.989 1.00 0.00 H new ATOM 1138 N VAL A 110 7.492 -0.223 -12.974 1.00 0.00 N ATOM 1139 CA VAL A 110 6.274 0.489 -12.486 1.00 0.00 C ATOM 1140 C VAL A 110 5.292 0.690 -13.643 1.00 0.00 C ATOM 1141 O VAL A 110 4.297 -0.003 -13.749 1.00 0.00 O ATOM 1142 CB VAL A 110 6.778 1.833 -11.963 1.00 0.00 C ATOM 1143 CG1 VAL A 110 5.608 2.624 -11.375 1.00 0.00 C ATOM 1144 CG2 VAL A 110 7.823 1.588 -10.874 1.00 0.00 C ATOM 0 HA VAL A 110 5.747 -0.069 -11.712 1.00 0.00 H new ATOM 0 HB VAL A 110 7.224 2.400 -12.780 1.00 0.00 H new ATOM 0 HG11 VAL A 110 5.968 3.583 -11.002 1.00 0.00 H new ATOM 0 HG12 VAL A 110 4.858 2.794 -12.148 1.00 0.00 H new ATOM 0 HG13 VAL A 110 5.163 2.060 -10.555 1.00 0.00 H new ATOM 0 HG21 VAL A 110 8.186 2.544 -10.497 1.00 0.00 H new ATOM 0 HG22 VAL A 110 7.372 1.023 -10.058 1.00 0.00 H new ATOM 0 HG23 VAL A 110 8.656 1.022 -11.290 1.00 0.00 H new ATOM 1154 N PHE A 111 5.576 1.612 -14.528 1.00 0.00 N ATOM 1155 CA PHE A 111 4.665 1.829 -15.689 1.00 0.00 C ATOM 1156 C PHE A 111 5.218 1.100 -16.916 1.00 0.00 C ATOM 1157 O PHE A 111 6.338 0.629 -16.920 1.00 0.00 O ATOM 1158 CB PHE A 111 4.612 3.345 -15.916 1.00 0.00 C ATOM 1159 CG PHE A 111 4.082 4.031 -14.678 1.00 0.00 C ATOM 1160 CD1 PHE A 111 2.702 4.156 -14.486 1.00 0.00 C ATOM 1161 CD2 PHE A 111 4.971 4.545 -13.726 1.00 0.00 C ATOM 1162 CE1 PHE A 111 2.209 4.795 -13.341 1.00 0.00 C ATOM 1163 CE2 PHE A 111 4.479 5.183 -12.581 1.00 0.00 C ATOM 1164 CZ PHE A 111 3.098 5.308 -12.389 1.00 0.00 C ATOM 0 H PHE A 111 6.395 2.220 -14.496 1.00 0.00 H new ATOM 0 HA PHE A 111 3.664 1.438 -15.506 1.00 0.00 H new ATOM 0 HB2 PHE A 111 5.607 3.721 -16.153 1.00 0.00 H new ATOM 0 HB3 PHE A 111 3.974 3.572 -16.770 1.00 0.00 H new ATOM 0 HD1 PHE A 111 2.017 3.760 -15.221 1.00 0.00 H new ATOM 0 HD2 PHE A 111 6.036 4.449 -13.875 1.00 0.00 H new ATOM 0 HE1 PHE A 111 1.144 4.892 -13.193 1.00 0.00 H new ATOM 0 HE2 PHE A 111 5.165 5.579 -11.846 1.00 0.00 H new ATOM 0 HZ PHE A 111 2.718 5.800 -11.506 1.00 0.00 H new ATOM 1174 N THR A 112 4.426 0.972 -17.942 1.00 0.00 N ATOM 1175 CA THR A 112 4.880 0.239 -19.158 1.00 0.00 C ATOM 1176 C THR A 112 6.094 0.905 -19.830 1.00 0.00 C ATOM 1177 O THR A 112 7.215 0.768 -19.379 1.00 0.00 O ATOM 1178 CB THR A 112 3.670 0.251 -20.088 1.00 0.00 C ATOM 1179 OG1 THR A 112 2.586 -0.412 -19.457 1.00 0.00 O ATOM 1180 CG2 THR A 112 4.019 -0.468 -21.387 1.00 0.00 C ATOM 0 H THR A 112 3.478 1.345 -17.992 1.00 0.00 H new ATOM 0 HA THR A 112 5.214 -0.768 -18.909 1.00 0.00 H new ATOM 0 HB THR A 112 3.390 1.281 -20.308 1.00 0.00 H new ATOM 0 HG1 THR A 112 2.787 -0.534 -18.506 1.00 0.00 H new ATOM 0 HG21 THR A 112 3.155 -0.459 -22.051 1.00 0.00 H new ATOM 0 HG22 THR A 112 4.854 0.039 -21.871 1.00 0.00 H new ATOM 0 HG23 THR A 112 4.298 -1.499 -21.169 1.00 0.00 H new ATOM 1188 N ASP A 113 5.887 1.590 -20.930 1.00 0.00 N ATOM 1189 CA ASP A 113 7.030 2.217 -21.653 1.00 0.00 C ATOM 1190 C ASP A 113 7.659 3.416 -20.916 1.00 0.00 C ATOM 1191 O ASP A 113 8.853 3.608 -21.038 1.00 0.00 O ATOM 1192 CB ASP A 113 6.464 2.655 -23.004 1.00 0.00 C ATOM 1193 CG ASP A 113 7.612 3.100 -23.913 1.00 0.00 C ATOM 1194 OD1 ASP A 113 8.754 2.939 -23.512 1.00 0.00 O ATOM 1195 OD2 ASP A 113 7.332 3.594 -24.992 1.00 0.00 O ATOM 0 H ASP A 113 4.972 1.740 -21.356 1.00 0.00 H new ATOM 0 HA ASP A 113 7.844 1.498 -21.742 1.00 0.00 H new ATOM 0 HB2 ASP A 113 5.917 1.833 -23.466 1.00 0.00 H new ATOM 0 HB3 ASP A 113 5.756 3.472 -22.867 1.00 0.00 H new ATOM 1200 N PRO A 114 6.895 4.220 -20.191 1.00 0.00 N ATOM 1201 CA PRO A 114 5.420 4.041 -19.997 1.00 0.00 C ATOM 1202 C PRO A 114 4.554 4.456 -21.207 1.00 0.00 C ATOM 1203 O PRO A 114 3.445 3.976 -21.333 1.00 0.00 O ATOM 1204 CB PRO A 114 5.106 4.975 -18.832 1.00 0.00 C ATOM 1205 CG PRO A 114 6.166 6.021 -18.863 1.00 0.00 C ATOM 1206 CD PRO A 114 7.392 5.396 -19.463 1.00 0.00 C ATOM 0 HA PRO A 114 5.190 2.987 -19.840 1.00 0.00 H new ATOM 0 HB2 PRO A 114 4.115 5.417 -18.939 1.00 0.00 H new ATOM 0 HB3 PRO A 114 5.114 4.437 -17.884 1.00 0.00 H new ATOM 0 HG2 PRO A 114 5.843 6.878 -19.454 1.00 0.00 H new ATOM 0 HG3 PRO A 114 6.374 6.387 -17.858 1.00 0.00 H new ATOM 0 HD2 PRO A 114 7.902 6.089 -20.132 1.00 0.00 H new ATOM 0 HD3 PRO A 114 8.108 5.111 -18.692 1.00 0.00 H new ATOM 1214 N PRO A 115 5.030 5.358 -22.040 1.00 0.00 N ATOM 1215 CA PRO A 115 4.193 5.818 -23.181 1.00 0.00 C ATOM 1216 C PRO A 115 4.029 4.752 -24.267 1.00 0.00 C ATOM 1217 O PRO A 115 4.970 4.373 -24.934 1.00 0.00 O ATOM 1218 CB PRO A 115 4.942 7.027 -23.719 1.00 0.00 C ATOM 1219 CG PRO A 115 6.359 6.833 -23.300 1.00 0.00 C ATOM 1220 CD PRO A 115 6.343 6.026 -22.029 1.00 0.00 C ATOM 0 HA PRO A 115 3.175 6.044 -22.863 1.00 0.00 H new ATOM 0 HB2 PRO A 115 4.858 7.090 -24.804 1.00 0.00 H new ATOM 0 HB3 PRO A 115 4.536 7.953 -23.313 1.00 0.00 H new ATOM 0 HG2 PRO A 115 6.922 6.316 -24.077 1.00 0.00 H new ATOM 0 HG3 PRO A 115 6.847 7.794 -23.139 1.00 0.00 H new ATOM 0 HD2 PRO A 115 7.158 5.302 -22.007 1.00 0.00 H new ATOM 0 HD3 PRO A 115 6.458 6.663 -21.152 1.00 0.00 H new ATOM 1228 N VAL A 116 2.820 4.298 -24.466 1.00 0.00 N ATOM 1229 CA VAL A 116 2.556 3.285 -25.527 1.00 0.00 C ATOM 1230 C VAL A 116 1.729 3.937 -26.642 1.00 0.00 C ATOM 1231 O VAL A 116 1.006 4.885 -26.402 1.00 0.00 O ATOM 1232 CB VAL A 116 1.759 2.191 -24.827 1.00 0.00 C ATOM 1233 CG1 VAL A 116 1.552 1.013 -25.783 1.00 0.00 C ATOM 1234 CG2 VAL A 116 2.529 1.723 -23.590 1.00 0.00 C ATOM 0 H VAL A 116 1.999 4.588 -23.935 1.00 0.00 H new ATOM 0 HA VAL A 116 3.463 2.888 -25.982 1.00 0.00 H new ATOM 0 HB VAL A 116 0.787 2.581 -24.526 1.00 0.00 H new ATOM 0 HG11 VAL A 116 0.982 0.232 -25.280 1.00 0.00 H new ATOM 0 HG12 VAL A 116 1.006 1.351 -26.664 1.00 0.00 H new ATOM 0 HG13 VAL A 116 2.521 0.616 -26.087 1.00 0.00 H new ATOM 0 HG21 VAL A 116 1.964 0.940 -23.084 1.00 0.00 H new ATOM 0 HG22 VAL A 116 3.500 1.332 -23.893 1.00 0.00 H new ATOM 0 HG23 VAL A 116 2.672 2.563 -22.911 1.00 0.00 H new ATOM 1244 N LYS A 117 1.826 3.460 -27.854 1.00 0.00 N ATOM 1245 CA LYS A 117 1.040 4.095 -28.951 1.00 0.00 C ATOM 1246 C LYS A 117 0.537 3.042 -29.933 1.00 0.00 C ATOM 1247 O LYS A 117 1.302 2.334 -30.556 1.00 0.00 O ATOM 1248 CB LYS A 117 2.012 5.062 -29.635 1.00 0.00 C ATOM 1249 CG LYS A 117 3.135 4.290 -30.331 1.00 0.00 C ATOM 1250 CD LYS A 117 4.134 5.287 -30.919 1.00 0.00 C ATOM 1251 CE LYS A 117 3.499 5.987 -32.124 1.00 0.00 C ATOM 1252 NZ LYS A 117 3.288 4.908 -33.130 1.00 0.00 N ATOM 0 H LYS A 117 2.407 2.669 -28.130 1.00 0.00 H new ATOM 0 HA LYS A 117 0.157 4.610 -28.574 1.00 0.00 H new ATOM 0 HB2 LYS A 117 1.476 5.671 -30.363 1.00 0.00 H new ATOM 0 HB3 LYS A 117 2.435 5.744 -28.898 1.00 0.00 H new ATOM 0 HG2 LYS A 117 3.635 3.631 -29.621 1.00 0.00 H new ATOM 0 HG3 LYS A 117 2.725 3.658 -31.119 1.00 0.00 H new ATOM 0 HD2 LYS A 117 4.419 6.021 -30.166 1.00 0.00 H new ATOM 0 HD3 LYS A 117 5.045 4.771 -31.222 1.00 0.00 H new ATOM 0 HE2 LYS A 117 2.557 6.463 -31.852 1.00 0.00 H new ATOM 0 HE3 LYS A 117 4.150 6.769 -32.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 3.352 5.309 -34.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 4.017 4.176 -33.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 2.347 4.486 -32.994 1.00 0.00 H new ATOM 1266 N THR A 118 -0.749 2.918 -30.055 1.00 0.00 N ATOM 1267 CA THR A 118 -1.305 1.897 -30.976 1.00 0.00 C ATOM 1268 C THR A 118 -2.594 2.401 -31.627 1.00 0.00 C ATOM 1269 O THR A 118 -3.049 3.496 -31.364 1.00 0.00 O ATOM 1270 CB THR A 118 -1.595 0.694 -30.086 1.00 0.00 C ATOM 1271 OG1 THR A 118 -2.412 -0.213 -30.801 1.00 0.00 O ATOM 1272 CG2 THR A 118 -2.315 1.146 -28.811 1.00 0.00 C ATOM 0 H THR A 118 -1.440 3.479 -29.557 1.00 0.00 H new ATOM 0 HA THR A 118 -0.619 1.659 -31.789 1.00 0.00 H new ATOM 0 HB THR A 118 -0.659 0.210 -29.805 1.00 0.00 H new ATOM 0 HG1 THR A 118 -3.209 -0.424 -30.271 1.00 0.00 H new ATOM 0 HG21 THR A 118 -2.518 0.280 -28.181 1.00 0.00 H new ATOM 0 HG22 THR A 118 -1.685 1.850 -28.267 1.00 0.00 H new ATOM 0 HG23 THR A 118 -3.255 1.630 -29.076 1.00 0.00 H new ATOM 1280 N LYS A 119 -3.190 1.604 -32.470 1.00 0.00 N ATOM 1281 CA LYS A 119 -4.452 2.035 -33.132 1.00 0.00 C ATOM 1282 C LYS A 119 -5.552 2.218 -32.086 1.00 0.00 C ATOM 1283 O LYS A 119 -6.594 2.780 -32.361 1.00 0.00 O ATOM 1284 CB LYS A 119 -4.806 0.903 -34.093 1.00 0.00 C ATOM 1285 CG LYS A 119 -3.855 0.937 -35.290 1.00 0.00 C ATOM 1286 CD LYS A 119 -3.702 -0.473 -35.859 1.00 0.00 C ATOM 1287 CE LYS A 119 -2.285 -0.982 -35.584 1.00 0.00 C ATOM 1288 NZ LYS A 119 -2.120 -2.159 -36.482 1.00 0.00 N ATOM 0 H LYS A 119 -2.858 0.675 -32.728 1.00 0.00 H new ATOM 0 HA LYS A 119 -4.344 2.986 -33.653 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -4.733 -0.058 -33.583 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -5.837 1.007 -34.431 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -4.241 1.610 -36.056 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -2.883 1.325 -34.985 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -4.434 -1.141 -35.406 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -3.896 -0.467 -36.932 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -1.541 -0.215 -35.798 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -2.162 -1.263 -34.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -1.171 -2.565 -36.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -2.838 -2.875 -36.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -2.236 -1.860 -37.471 1.00 0.00 H new ATOM 1302 N PHE A 120 -5.328 1.762 -30.883 1.00 0.00 N ATOM 1303 CA PHE A 120 -6.371 1.937 -29.830 1.00 0.00 C ATOM 1304 C PHE A 120 -6.158 3.290 -29.150 1.00 0.00 C ATOM 1305 O PHE A 120 -7.040 3.819 -28.503 1.00 0.00 O ATOM 1306 CB PHE A 120 -6.214 0.795 -28.796 1.00 0.00 C ATOM 1307 CG PHE A 120 -5.279 -0.302 -29.274 1.00 0.00 C ATOM 1308 CD1 PHE A 120 -5.400 -0.839 -30.562 1.00 0.00 C ATOM 1309 CD2 PHE A 120 -4.292 -0.789 -28.406 1.00 0.00 C ATOM 1310 CE1 PHE A 120 -4.533 -1.858 -30.981 1.00 0.00 C ATOM 1311 CE2 PHE A 120 -3.425 -1.805 -28.824 1.00 0.00 C ATOM 1312 CZ PHE A 120 -3.546 -2.343 -30.111 1.00 0.00 C ATOM 0 H PHE A 120 -4.479 1.281 -30.585 1.00 0.00 H new ATOM 0 HA PHE A 120 -7.371 1.905 -30.263 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -5.836 1.207 -27.860 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -7.193 0.366 -28.583 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -6.161 -0.468 -31.232 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -4.200 -0.379 -27.411 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -4.625 -2.270 -31.975 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -2.663 -2.174 -28.154 1.00 0.00 H new ATOM 0 HZ PHE A 120 -2.880 -3.130 -30.433 1.00 0.00 H new ATOM 1322 N GLY A 121 -4.990 3.856 -29.302 1.00 0.00 N ATOM 1323 CA GLY A 121 -4.711 5.179 -28.675 1.00 0.00 C ATOM 1324 C GLY A 121 -3.405 5.108 -27.881 1.00 0.00 C ATOM 1325 O GLY A 121 -2.514 4.345 -28.196 1.00 0.00 O ATOM 0 H GLY A 121 -4.217 3.458 -29.834 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -4.639 5.949 -29.444 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -5.533 5.461 -28.017 1.00 0.00 H new ATOM 1329 N TYR A 122 -3.299 5.880 -26.835 1.00 0.00 N ATOM 1330 CA TYR A 122 -2.066 5.838 -25.997 1.00 0.00 C ATOM 1331 C TYR A 122 -2.341 4.960 -24.775 1.00 0.00 C ATOM 1332 O TYR A 122 -3.433 4.960 -24.244 1.00 0.00 O ATOM 1333 CB TYR A 122 -1.807 7.287 -25.573 1.00 0.00 C ATOM 1334 CG TYR A 122 -1.416 8.132 -26.768 1.00 0.00 C ATOM 1335 CD1 TYR A 122 -0.890 7.536 -27.924 1.00 0.00 C ATOM 1336 CD2 TYR A 122 -1.570 9.522 -26.709 1.00 0.00 C ATOM 1337 CE1 TYR A 122 -0.522 8.333 -29.016 1.00 0.00 C ATOM 1338 CE2 TYR A 122 -1.199 10.315 -27.800 1.00 0.00 C ATOM 1339 CZ TYR A 122 -0.674 9.722 -28.953 1.00 0.00 C ATOM 1340 OH TYR A 122 -0.309 10.506 -30.028 1.00 0.00 O ATOM 0 H TYR A 122 -4.013 6.539 -26.524 1.00 0.00 H new ATOM 0 HA TYR A 122 -1.206 5.427 -26.525 1.00 0.00 H new ATOM 0 HB2 TYR A 122 -2.701 7.700 -25.106 1.00 0.00 H new ATOM 0 HB3 TYR A 122 -1.014 7.316 -24.825 1.00 0.00 H new ATOM 0 HD1 TYR A 122 -0.769 6.464 -27.972 1.00 0.00 H new ATOM 0 HD2 TYR A 122 -1.976 9.983 -25.820 1.00 0.00 H new ATOM 0 HE1 TYR A 122 -0.120 7.874 -29.907 1.00 0.00 H new ATOM 0 HE2 TYR A 122 -1.318 11.387 -27.752 1.00 0.00 H new ATOM 0 HH TYR A 122 -0.425 9.998 -30.858 1.00 0.00 H new ATOM 1350 N HIS A 123 -1.380 4.196 -24.333 1.00 0.00 N ATOM 1351 CA HIS A 123 -1.641 3.316 -23.159 1.00 0.00 C ATOM 1352 C HIS A 123 -0.531 3.413 -22.102 1.00 0.00 C ATOM 1353 O HIS A 123 0.643 3.518 -22.409 1.00 0.00 O ATOM 1354 CB HIS A 123 -1.691 1.894 -23.729 1.00 0.00 C ATOM 1355 CG HIS A 123 -2.736 1.806 -24.806 1.00 0.00 C ATOM 1356 ND1 HIS A 123 -3.931 1.128 -24.622 1.00 0.00 N ATOM 1357 CD2 HIS A 123 -2.779 2.297 -26.088 1.00 0.00 C ATOM 1358 CE1 HIS A 123 -4.634 1.228 -25.765 1.00 0.00 C ATOM 1359 NE2 HIS A 123 -3.978 1.930 -26.691 1.00 0.00 N ATOM 0 H HIS A 123 -0.440 4.142 -24.726 1.00 0.00 H new ATOM 0 HA HIS A 123 -2.563 3.608 -22.657 1.00 0.00 H new ATOM 0 HB2 HIS A 123 -0.716 1.622 -24.134 1.00 0.00 H new ATOM 0 HB3 HIS A 123 -1.916 1.183 -22.934 1.00 0.00 H new ATOM 0 HD1 HIS A 123 -4.224 0.642 -23.775 1.00 0.00 H new ATOM 0 HD2 HIS A 123 -2.000 2.880 -26.557 1.00 0.00 H new ATOM 0 HE1 HIS A 123 -5.611 0.793 -25.915 1.00 0.00 H new ATOM 1367 N ILE A 124 -0.920 3.331 -20.857 1.00 0.00 N ATOM 1368 CA ILE A 124 0.052 3.357 -19.722 1.00 0.00 C ATOM 1369 C ILE A 124 -0.329 2.211 -18.788 1.00 0.00 C ATOM 1370 O ILE A 124 -1.368 2.247 -18.165 1.00 0.00 O ATOM 1371 CB ILE A 124 -0.153 4.704 -19.018 1.00 0.00 C ATOM 1372 CG1 ILE A 124 0.431 5.830 -19.870 1.00 0.00 C ATOM 1373 CG2 ILE A 124 0.555 4.690 -17.659 1.00 0.00 C ATOM 1374 CD1 ILE A 124 -0.456 7.071 -19.749 1.00 0.00 C ATOM 0 H ILE A 124 -1.896 3.245 -20.572 1.00 0.00 H new ATOM 0 HA ILE A 124 1.090 3.246 -20.035 1.00 0.00 H new ATOM 0 HB ILE A 124 -1.221 4.868 -18.876 1.00 0.00 H new ATOM 0 HG12 ILE A 124 1.445 6.061 -19.542 1.00 0.00 H new ATOM 0 HG13 ILE A 124 0.496 5.516 -20.912 1.00 0.00 H new ATOM 0 HG21 ILE A 124 0.407 5.649 -17.162 1.00 0.00 H new ATOM 0 HG22 ILE A 124 0.141 3.893 -17.041 1.00 0.00 H new ATOM 0 HG23 ILE A 124 1.621 4.518 -17.806 1.00 0.00 H new ATOM 0 HD11 ILE A 124 -0.041 7.875 -20.356 1.00 0.00 H new ATOM 0 HD12 ILE A 124 -1.461 6.835 -20.098 1.00 0.00 H new ATOM 0 HD13 ILE A 124 -0.498 7.388 -18.707 1.00 0.00 H new ATOM 1386 N ILE A 125 0.459 1.177 -18.709 1.00 0.00 N ATOM 1387 CA ILE A 125 0.057 0.034 -17.836 1.00 0.00 C ATOM 1388 C ILE A 125 1.016 -0.164 -16.663 1.00 0.00 C ATOM 1389 O ILE A 125 2.217 -0.266 -16.828 1.00 0.00 O ATOM 1390 CB ILE A 125 0.077 -1.205 -18.744 1.00 0.00 C ATOM 1391 CG1 ILE A 125 -0.306 -0.817 -20.178 1.00 0.00 C ATOM 1392 CG2 ILE A 125 -0.921 -2.237 -18.216 1.00 0.00 C ATOM 1393 CD1 ILE A 125 -0.594 -2.077 -20.994 1.00 0.00 C ATOM 0 H ILE A 125 1.347 1.071 -19.199 1.00 0.00 H new ATOM 0 HA ILE A 125 -0.923 0.218 -17.396 1.00 0.00 H new ATOM 0 HB ILE A 125 1.082 -1.627 -18.746 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -1.183 -0.170 -20.168 1.00 0.00 H new ATOM 0 HG13 ILE A 125 0.502 -0.250 -20.640 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -0.909 -3.117 -18.859 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -0.645 -2.525 -17.202 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -1.922 -1.806 -18.211 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -0.866 -1.797 -22.012 1.00 0.00 H new ATOM 0 HD12 ILE A 125 0.295 -2.707 -21.016 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -1.417 -2.626 -20.537 1.00 0.00 H new ATOM 1405 N MET A 126 0.474 -0.259 -15.480 1.00 0.00 N ATOM 1406 CA MET A 126 1.311 -0.499 -14.274 1.00 0.00 C ATOM 1407 C MET A 126 1.235 -1.987 -13.931 1.00 0.00 C ATOM 1408 O MET A 126 0.172 -2.578 -13.959 1.00 0.00 O ATOM 1409 CB MET A 126 0.673 0.340 -13.167 1.00 0.00 C ATOM 1410 CG MET A 126 0.828 1.824 -13.495 1.00 0.00 C ATOM 1411 SD MET A 126 0.277 2.813 -12.084 1.00 0.00 S ATOM 1412 CE MET A 126 1.675 2.452 -10.994 1.00 0.00 C ATOM 0 H MET A 126 -0.526 -0.179 -15.297 1.00 0.00 H new ATOM 0 HA MET A 126 2.358 -0.232 -14.414 1.00 0.00 H new ATOM 0 HB2 MET A 126 -0.383 0.087 -13.068 1.00 0.00 H new ATOM 0 HB3 MET A 126 1.145 0.117 -12.210 1.00 0.00 H new ATOM 0 HG2 MET A 126 1.869 2.050 -13.727 1.00 0.00 H new ATOM 0 HG3 MET A 126 0.243 2.075 -14.380 1.00 0.00 H new ATOM 0 HE1 MET A 126 1.904 3.331 -10.392 1.00 0.00 H new ATOM 0 HE2 MET A 126 1.420 1.620 -10.338 1.00 0.00 H new ATOM 0 HE3 MET A 126 2.545 2.187 -11.594 1.00 0.00 H new ATOM 1422 N VAL A 127 2.338 -2.608 -13.631 1.00 0.00 N ATOM 1423 CA VAL A 127 2.289 -4.070 -13.317 1.00 0.00 C ATOM 1424 C VAL A 127 2.210 -4.308 -11.807 1.00 0.00 C ATOM 1425 O VAL A 127 3.038 -3.844 -11.047 1.00 0.00 O ATOM 1426 CB VAL A 127 3.582 -4.656 -13.883 1.00 0.00 C ATOM 1427 CG1 VAL A 127 3.403 -6.163 -14.068 1.00 0.00 C ATOM 1428 CG2 VAL A 127 3.895 -4.017 -15.239 1.00 0.00 C ATOM 0 H VAL A 127 3.262 -2.179 -13.588 1.00 0.00 H new ATOM 0 HA VAL A 127 1.405 -4.538 -13.751 1.00 0.00 H new ATOM 0 HB VAL A 127 4.403 -4.456 -13.195 1.00 0.00 H new ATOM 0 HG11 VAL A 127 4.320 -6.592 -14.472 1.00 0.00 H new ATOM 0 HG12 VAL A 127 3.180 -6.624 -13.106 1.00 0.00 H new ATOM 0 HG13 VAL A 127 2.581 -6.350 -14.759 1.00 0.00 H new ATOM 0 HG21 VAL A 127 4.818 -4.440 -15.636 1.00 0.00 H new ATOM 0 HG22 VAL A 127 3.077 -4.215 -15.932 1.00 0.00 H new ATOM 0 HG23 VAL A 127 4.013 -2.940 -15.115 1.00 0.00 H new ATOM 1438 N GLU A 128 1.221 -5.045 -11.371 1.00 0.00 N ATOM 1439 CA GLU A 128 1.083 -5.332 -9.913 1.00 0.00 C ATOM 1440 C GLU A 128 0.596 -6.773 -9.712 1.00 0.00 C ATOM 1441 O GLU A 128 -0.140 -7.305 -10.519 1.00 0.00 O ATOM 1442 CB GLU A 128 0.036 -4.338 -9.409 1.00 0.00 C ATOM 1443 CG GLU A 128 -0.023 -4.392 -7.881 1.00 0.00 C ATOM 1444 CD GLU A 128 -0.881 -3.236 -7.364 1.00 0.00 C ATOM 1445 OE1 GLU A 128 -1.260 -2.403 -8.169 1.00 0.00 O ATOM 1446 OE2 GLU A 128 -1.145 -3.207 -6.173 1.00 0.00 O ATOM 0 H GLU A 128 0.502 -5.461 -11.963 1.00 0.00 H new ATOM 0 HA GLU A 128 2.027 -5.232 -9.377 1.00 0.00 H new ATOM 0 HB2 GLU A 128 0.287 -3.330 -9.739 1.00 0.00 H new ATOM 0 HB3 GLU A 128 -0.941 -4.577 -9.830 1.00 0.00 H new ATOM 0 HG2 GLU A 128 -0.442 -5.344 -7.556 1.00 0.00 H new ATOM 0 HG3 GLU A 128 0.982 -4.328 -7.465 1.00 0.00 H new ATOM 1453 N GLY A 129 1.002 -7.410 -8.648 1.00 0.00 N ATOM 1454 CA GLY A 129 0.556 -8.813 -8.408 1.00 0.00 C ATOM 1455 C GLY A 129 1.013 -9.705 -9.568 1.00 0.00 C ATOM 1456 O GLY A 129 0.233 -10.073 -10.423 1.00 0.00 O ATOM 0 H GLY A 129 1.621 -7.022 -7.936 1.00 0.00 H new ATOM 0 HA2 GLY A 129 0.969 -9.181 -7.469 1.00 0.00 H new ATOM 0 HA3 GLY A 129 -0.529 -8.849 -8.314 1.00 0.00 H new ATOM 1460 N ARG A 130 2.270 -10.055 -9.601 1.00 0.00 N ATOM 1461 CA ARG A 130 2.775 -10.923 -10.705 1.00 0.00 C ATOM 1462 C ARG A 130 3.401 -12.197 -10.131 1.00 0.00 C ATOM 1463 O ARG A 130 4.204 -12.151 -9.221 1.00 0.00 O ATOM 1464 CB ARG A 130 3.837 -10.079 -11.414 1.00 0.00 C ATOM 1465 CG ARG A 130 4.420 -10.866 -12.591 1.00 0.00 C ATOM 1466 CD ARG A 130 5.298 -9.941 -13.439 1.00 0.00 C ATOM 1467 NE ARG A 130 5.771 -10.790 -14.569 1.00 0.00 N ATOM 1468 CZ ARG A 130 6.554 -10.285 -15.483 1.00 0.00 C ATOM 1469 NH1 ARG A 130 6.340 -9.078 -15.932 1.00 0.00 N ATOM 1470 NH2 ARG A 130 7.551 -10.986 -15.948 1.00 0.00 N ATOM 0 H ARG A 130 2.969 -9.778 -8.912 1.00 0.00 H new ATOM 0 HA ARG A 130 1.980 -11.236 -11.382 1.00 0.00 H new ATOM 0 HB2 ARG A 130 3.397 -9.147 -11.769 1.00 0.00 H new ATOM 0 HB3 ARG A 130 4.629 -9.811 -10.715 1.00 0.00 H new ATOM 0 HG2 ARG A 130 5.008 -11.707 -12.224 1.00 0.00 H new ATOM 0 HG3 ARG A 130 3.616 -11.280 -13.199 1.00 0.00 H new ATOM 0 HD2 ARG A 130 4.733 -9.082 -13.800 1.00 0.00 H new ATOM 0 HD3 ARG A 130 6.135 -9.551 -12.860 1.00 0.00 H new ATOM 0 HE ARG A 130 5.483 -11.767 -14.628 1.00 0.00 H new ATOM 0 HH11 ARG A 130 5.561 -8.529 -15.569 1.00 0.00 H new ATOM 0 HH12 ARG A 130 6.952 -8.684 -16.646 1.00 0.00 H new ATOM 0 HH21 ARG A 130 7.719 -11.929 -15.597 1.00 0.00 H new ATOM 0 HH22 ARG A 130 8.163 -10.591 -16.662 1.00 0.00 H new ATOM 1484 N LYS A 131 3.046 -13.340 -10.660 1.00 0.00 N ATOM 1485 CA LYS A 131 3.631 -14.612 -10.140 1.00 0.00 C ATOM 1486 C LYS A 131 5.158 -14.519 -10.120 1.00 0.00 C ATOM 1487 O LYS A 131 5.767 -15.251 -9.358 1.00 0.00 O ATOM 1488 CB LYS A 131 3.175 -15.693 -11.123 1.00 0.00 C ATOM 1489 CG LYS A 131 3.698 -15.364 -12.522 1.00 0.00 C ATOM 1490 CD LYS A 131 3.190 -16.407 -13.519 1.00 0.00 C ATOM 1491 CE LYS A 131 3.577 -15.986 -14.938 1.00 0.00 C ATOM 1492 NZ LYS A 131 2.650 -14.870 -15.275 1.00 0.00 N ATOM 1493 OXT LYS A 131 5.693 -13.717 -10.869 1.00 0.00 O ATOM 0 H LYS A 131 2.380 -13.447 -11.425 1.00 0.00 H new ATOM 0 HA LYS A 131 3.309 -14.827 -9.121 1.00 0.00 H new ATOM 0 HB2 LYS A 131 3.545 -16.668 -10.805 1.00 0.00 H new ATOM 0 HB3 LYS A 131 2.087 -15.753 -11.135 1.00 0.00 H new ATOM 0 HG2 LYS A 131 3.367 -14.369 -12.820 1.00 0.00 H new ATOM 0 HG3 LYS A 131 4.788 -15.349 -12.520 1.00 0.00 H new ATOM 0 HD2 LYS A 131 3.616 -17.384 -13.289 1.00 0.00 H new ATOM 0 HD3 LYS A 131 2.107 -16.505 -13.440 1.00 0.00 H new ATOM 0 HE2 LYS A 131 4.617 -15.663 -14.984 1.00 0.00 H new ATOM 0 HE3 LYS A 131 3.469 -16.814 -15.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 2.136 -15.098 -16.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 1.970 -14.737 -14.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 3.195 -13.995 -15.411 1.00 0.00 H new