USER MOD reduce.3.24.130724 H: found=0, std=0, add=647, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 648 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 56 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 57 MET CE :methyl 163:sc= -2.19 (180deg=-2.93!) USER MOD Set 2.1: A 48 ASN : amide:sc= 1.27 K(o=2.2,f=0.9) USER MOD Set 2.2: A 54 SER OG : rot -50:sc= 0.945 USER MOD Set 3.1: A 33 GLN : amide:sc= -2.21! C(o=-2.1!,f=-3.8!) USER MOD Set 3.2: A 76 LYS NZ :NH3+ 158:sc= 0.0966 (180deg=0) USER MOD Set 4.1: A 19 THR OG1 : rot -166:sc= 1.18 USER MOD Set 4.2: A 24 GLN : amide:sc= 1.06 K(o=2.2,f=0.92) USER MOD Single : A 26 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0405) USER MOD Single : A 30 GLN : amide:sc= -2.35! C(o=-2.4!,f=-7.1!) USER MOD Single : A 32 GLN : amide:sc= -4.5! K(o=-4.5!,f=-0.56) USER MOD Single : A 36 GLN : amide:sc= -0.129 X(o=-0.13,f=-0.22) USER MOD Single : A 38 THR OG1 : rot -94:sc= 1.07 USER MOD Single : A 43 CYS SG : rot 180:sc= -0.404 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 CYS SG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -0.103 X(o=-0.1,f=-0.16) USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 SER OG : rot -152:sc= 0.0411 USER MOD Single : A 55 ASN : amide:sc= -1.31! K(o=-1.3!,f=-0.026) USER MOD Single : A 60 THR OG1 : rot 180:sc= 1.01 USER MOD Single : A 64 GLN : amide:sc= -1.13 K(o=-1.1,f=-3.2!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot -5:sc= 0.242 USER MOD Single : A 70 MET CE :methyl 140:sc= -0.879 (180deg=-2.44) USER MOD Single : A 71 GLN : amide:sc= -0.203 X(o=-0.2,f=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ -153:sc= 1.25 (180deg=0.336) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl 137:sc= -3.75! (180deg=-5.29!) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 92 THR OG1 : rot -19:sc= 0.798 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 180:sc= -0.113 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 19 16.482 -9.386 -6.814 1.00 0.00 N ATOM 2 CA THR A 19 15.765 -10.075 -5.721 1.00 0.00 C ATOM 3 C THR A 19 14.293 -10.246 -6.076 1.00 0.00 C ATOM 4 O THR A 19 13.761 -11.356 -6.078 1.00 0.00 O ATOM 5 CB THR A 19 15.890 -9.284 -4.401 1.00 0.00 C ATOM 6 OG1 THR A 19 15.566 -7.904 -4.629 1.00 0.00 O ATOM 7 CG2 THR A 19 17.296 -9.390 -3.834 1.00 0.00 C ATOM 0 HA THR A 19 16.218 -11.057 -5.588 1.00 0.00 H new ATOM 0 HB THR A 19 15.193 -9.711 -3.679 1.00 0.00 H new ATOM 0 HG1 THR A 19 15.854 -7.369 -3.860 1.00 0.00 H new ATOM 0 HG21 THR A 19 17.357 -8.824 -2.904 1.00 0.00 H new ATOM 0 HG22 THR A 19 17.531 -10.436 -3.638 1.00 0.00 H new ATOM 0 HG23 THR A 19 18.009 -8.986 -4.552 1.00 0.00 H new ATOM 15 N ILE A 20 13.653 -9.133 -6.385 1.00 0.00 N ATOM 16 CA ILE A 20 12.249 -9.113 -6.766 1.00 0.00 C ATOM 17 C ILE A 20 11.981 -7.942 -7.713 1.00 0.00 C ATOM 18 O ILE A 20 11.871 -8.132 -8.923 1.00 0.00 O ATOM 19 CB ILE A 20 11.315 -9.073 -5.510 1.00 0.00 C ATOM 20 CG1 ILE A 20 9.892 -8.579 -5.836 1.00 0.00 C ATOM 21 CG2 ILE A 20 11.923 -8.221 -4.403 1.00 0.00 C ATOM 22 CD1 ILE A 20 9.252 -9.237 -7.035 1.00 0.00 C ATOM 0 H ILE A 20 14.093 -8.213 -6.379 1.00 0.00 H new ATOM 0 HA ILE A 20 12.019 -10.038 -7.295 1.00 0.00 H new ATOM 0 HB ILE A 20 11.228 -10.103 -5.164 1.00 0.00 H new ATOM 0 HG12 ILE A 20 9.257 -8.745 -4.966 1.00 0.00 H new ATOM 0 HG13 ILE A 20 9.926 -7.503 -6.005 1.00 0.00 H new ATOM 0 HG21 ILE A 20 11.254 -8.210 -3.543 1.00 0.00 H new ATOM 0 HG22 ILE A 20 12.885 -8.640 -4.109 1.00 0.00 H new ATOM 0 HG23 ILE A 20 12.065 -7.203 -4.764 1.00 0.00 H new ATOM 0 HD11 ILE A 20 8.254 -8.826 -7.186 1.00 0.00 H new ATOM 0 HD12 ILE A 20 9.860 -9.050 -7.920 1.00 0.00 H new ATOM 0 HD13 ILE A 20 9.180 -10.311 -6.865 1.00 0.00 H new ATOM 34 N ASP A 21 11.916 -6.741 -7.170 1.00 0.00 N ATOM 35 CA ASP A 21 11.634 -5.557 -7.963 1.00 0.00 C ATOM 36 C ASP A 21 12.584 -4.449 -7.513 1.00 0.00 C ATOM 37 O ASP A 21 13.684 -4.739 -7.038 1.00 0.00 O ATOM 38 CB ASP A 21 10.160 -5.149 -7.770 1.00 0.00 C ATOM 39 CG ASP A 21 9.626 -4.255 -8.880 1.00 0.00 C ATOM 40 OD1 ASP A 21 9.916 -3.041 -8.864 1.00 0.00 O ATOM 41 OD2 ASP A 21 8.931 -4.760 -9.782 1.00 0.00 O ATOM 0 H ASP A 21 12.056 -6.558 -6.176 1.00 0.00 H new ATOM 0 HA ASP A 21 11.788 -5.749 -9.025 1.00 0.00 H new ATOM 0 HB2 ASP A 21 9.547 -6.049 -7.713 1.00 0.00 H new ATOM 0 HB3 ASP A 21 10.057 -4.631 -6.816 1.00 0.00 H new ATOM 46 N VAL A 22 12.182 -3.196 -7.652 1.00 0.00 N ATOM 47 CA VAL A 22 12.931 -2.094 -7.064 1.00 0.00 C ATOM 48 C VAL A 22 12.647 -2.061 -5.567 1.00 0.00 C ATOM 49 O VAL A 22 13.350 -1.422 -4.785 1.00 0.00 O ATOM 50 CB VAL A 22 12.551 -0.735 -7.704 1.00 0.00 C ATOM 51 CG1 VAL A 22 11.139 -0.313 -7.310 1.00 0.00 C ATOM 52 CG2 VAL A 22 13.557 0.344 -7.326 1.00 0.00 C ATOM 0 H VAL A 22 11.345 -2.916 -8.164 1.00 0.00 H new ATOM 0 HA VAL A 22 13.993 -2.254 -7.250 1.00 0.00 H new ATOM 0 HB VAL A 22 12.574 -0.862 -8.786 1.00 0.00 H new ATOM 0 HG11 VAL A 22 10.902 0.644 -7.775 1.00 0.00 H new ATOM 0 HG12 VAL A 22 10.427 -1.066 -7.647 1.00 0.00 H new ATOM 0 HG13 VAL A 22 11.078 -0.215 -6.226 1.00 0.00 H new ATOM 0 HG21 VAL A 22 13.268 1.288 -7.787 1.00 0.00 H new ATOM 0 HG22 VAL A 22 13.576 0.460 -6.242 1.00 0.00 H new ATOM 0 HG23 VAL A 22 14.548 0.057 -7.677 1.00 0.00 H new ATOM 62 N LEU A 23 11.606 -2.789 -5.189 1.00 0.00 N ATOM 63 CA LEU A 23 11.145 -2.851 -3.816 1.00 0.00 C ATOM 64 C LEU A 23 12.071 -3.737 -2.989 1.00 0.00 C ATOM 65 O LEU A 23 11.913 -4.958 -2.958 1.00 0.00 O ATOM 66 CB LEU A 23 9.718 -3.405 -3.774 1.00 0.00 C ATOM 67 CG LEU A 23 8.809 -2.982 -4.940 1.00 0.00 C ATOM 68 CD1 LEU A 23 7.427 -3.597 -4.792 1.00 0.00 C ATOM 69 CD2 LEU A 23 8.708 -1.466 -5.032 1.00 0.00 C ATOM 0 H LEU A 23 11.056 -3.356 -5.834 1.00 0.00 H new ATOM 0 HA LEU A 23 11.153 -1.846 -3.394 1.00 0.00 H new ATOM 0 HB2 LEU A 23 9.770 -4.494 -3.753 1.00 0.00 H new ATOM 0 HB3 LEU A 23 9.252 -3.090 -2.840 1.00 0.00 H new ATOM 0 HG LEU A 23 9.256 -3.349 -5.864 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.799 -3.286 -5.627 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.511 -4.684 -4.787 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.979 -3.263 -3.856 1.00 0.00 H new ATOM 0 HD21 LEU A 23 8.059 -1.194 -5.865 1.00 0.00 H new ATOM 0 HD22 LEU A 23 8.292 -1.072 -4.105 1.00 0.00 H new ATOM 0 HD23 LEU A 23 9.700 -1.044 -5.192 1.00 0.00 H new ATOM 81 N GLN A 24 13.043 -3.121 -2.336 1.00 0.00 N ATOM 82 CA GLN A 24 14.005 -3.856 -1.531 1.00 0.00 C ATOM 83 C GLN A 24 13.658 -3.765 -0.053 1.00 0.00 C ATOM 84 O GLN A 24 13.640 -2.678 0.519 1.00 0.00 O ATOM 85 CB GLN A 24 15.415 -3.317 -1.760 1.00 0.00 C ATOM 86 CG GLN A 24 15.878 -3.429 -3.201 1.00 0.00 C ATOM 87 CD GLN A 24 15.948 -4.864 -3.684 1.00 0.00 C ATOM 88 OE1 GLN A 24 16.203 -5.788 -2.909 1.00 0.00 O ATOM 89 NE2 GLN A 24 15.713 -5.063 -4.969 1.00 0.00 N ATOM 0 H GLN A 24 13.187 -2.111 -2.348 1.00 0.00 H new ATOM 0 HA GLN A 24 13.967 -4.902 -1.836 1.00 0.00 H new ATOM 0 HB2 GLN A 24 15.450 -2.271 -1.456 1.00 0.00 H new ATOM 0 HB3 GLN A 24 16.111 -3.859 -1.120 1.00 0.00 H new ATOM 0 HG2 GLN A 24 15.198 -2.867 -3.841 1.00 0.00 H new ATOM 0 HG3 GLN A 24 16.861 -2.969 -3.299 1.00 0.00 H new ATOM 0 HE21 GLN A 24 15.505 -4.272 -5.578 1.00 0.00 H new ATOM 0 HE22 GLN A 24 15.739 -6.008 -5.352 1.00 0.00 H new ATOM 98 N PHE A 25 13.369 -4.906 0.557 1.00 0.00 N ATOM 99 CA PHE A 25 13.108 -4.953 1.988 1.00 0.00 C ATOM 100 C PHE A 25 14.304 -5.554 2.702 1.00 0.00 C ATOM 101 O PHE A 25 14.739 -6.665 2.396 1.00 0.00 O ATOM 102 CB PHE A 25 11.843 -5.764 2.301 1.00 0.00 C ATOM 103 CG PHE A 25 10.641 -5.321 1.511 1.00 0.00 C ATOM 104 CD1 PHE A 25 9.963 -4.158 1.847 1.00 0.00 C ATOM 105 CD2 PHE A 25 10.183 -6.072 0.439 1.00 0.00 C ATOM 106 CE1 PHE A 25 8.854 -3.754 1.128 1.00 0.00 C ATOM 107 CE2 PHE A 25 9.077 -5.670 -0.284 1.00 0.00 C ATOM 108 CZ PHE A 25 8.430 -4.497 0.041 1.00 0.00 C ATOM 0 H PHE A 25 13.310 -5.808 0.085 1.00 0.00 H new ATOM 0 HA PHE A 25 12.944 -3.935 2.340 1.00 0.00 H new ATOM 0 HB2 PHE A 25 12.035 -6.817 2.097 1.00 0.00 H new ATOM 0 HB3 PHE A 25 11.621 -5.681 3.365 1.00 0.00 H new ATOM 0 HD1 PHE A 25 10.306 -3.562 2.680 1.00 0.00 H new ATOM 0 HD2 PHE A 25 10.697 -6.982 0.166 1.00 0.00 H new ATOM 0 HE1 PHE A 25 8.320 -2.860 1.414 1.00 0.00 H new ATOM 0 HE2 PHE A 25 8.719 -6.275 -1.104 1.00 0.00 H new ATOM 0 HZ PHE A 25 7.593 -4.159 -0.552 1.00 0.00 H new ATOM 118 N LYS A 26 14.827 -4.782 3.646 1.00 0.00 N ATOM 119 CA LYS A 26 15.983 -5.161 4.434 1.00 0.00 C ATOM 120 C LYS A 26 15.767 -6.498 5.123 1.00 0.00 C ATOM 121 O LYS A 26 16.684 -7.307 5.245 1.00 0.00 O ATOM 122 CB LYS A 26 16.253 -4.054 5.453 1.00 0.00 C ATOM 123 CG LYS A 26 16.818 -4.530 6.778 1.00 0.00 C ATOM 124 CD LYS A 26 15.716 -4.646 7.814 1.00 0.00 C ATOM 125 CE LYS A 26 16.256 -4.543 9.233 1.00 0.00 C ATOM 126 NZ LYS A 26 17.284 -5.580 9.524 1.00 0.00 N ATOM 0 H LYS A 26 14.452 -3.864 3.886 1.00 0.00 H new ATOM 0 HA LYS A 26 16.847 -5.281 3.781 1.00 0.00 H new ATOM 0 HB2 LYS A 26 16.948 -3.338 5.014 1.00 0.00 H new ATOM 0 HB3 LYS A 26 15.322 -3.520 5.642 1.00 0.00 H new ATOM 0 HG2 LYS A 26 17.305 -5.496 6.646 1.00 0.00 H new ATOM 0 HG3 LYS A 26 17.581 -3.834 7.126 1.00 0.00 H new ATOM 0 HD2 LYS A 26 14.979 -3.861 7.649 1.00 0.00 H new ATOM 0 HD3 LYS A 26 15.201 -5.598 7.690 1.00 0.00 H new ATOM 0 HE2 LYS A 26 16.688 -3.554 9.384 1.00 0.00 H new ATOM 0 HE3 LYS A 26 15.433 -4.642 9.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 17.523 -5.558 10.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 16.910 -6.518 9.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 18.138 -5.389 8.962 1.00 0.00 H new ATOM 140 N ASP A 27 14.547 -6.709 5.572 1.00 0.00 N ATOM 141 CA ASP A 27 14.168 -7.940 6.229 1.00 0.00 C ATOM 142 C ASP A 27 12.653 -8.032 6.194 1.00 0.00 C ATOM 143 O ASP A 27 12.013 -7.173 5.580 1.00 0.00 O ATOM 144 CB ASP A 27 14.669 -7.965 7.675 1.00 0.00 C ATOM 145 CG ASP A 27 14.893 -9.373 8.187 1.00 0.00 C ATOM 146 OD1 ASP A 27 14.267 -10.308 7.646 1.00 0.00 O ATOM 147 OD2 ASP A 27 15.677 -9.551 9.140 1.00 0.00 O ATOM 0 H ASP A 27 13.790 -6.030 5.491 1.00 0.00 H new ATOM 0 HA ASP A 27 14.617 -8.791 5.716 1.00 0.00 H new ATOM 0 HB2 ASP A 27 15.601 -7.405 7.743 1.00 0.00 H new ATOM 0 HB3 ASP A 27 13.946 -7.460 8.315 1.00 0.00 H new ATOM 152 N GLU A 28 12.070 -9.020 6.854 1.00 0.00 N ATOM 153 CA GLU A 28 10.616 -9.121 6.898 1.00 0.00 C ATOM 154 C GLU A 28 10.037 -7.897 7.602 1.00 0.00 C ATOM 155 O GLU A 28 8.943 -7.451 7.291 1.00 0.00 O ATOM 156 CB GLU A 28 10.149 -10.416 7.587 1.00 0.00 C ATOM 157 CG GLU A 28 10.134 -10.373 9.114 1.00 0.00 C ATOM 158 CD GLU A 28 11.513 -10.376 9.737 1.00 0.00 C ATOM 159 OE1 GLU A 28 12.104 -9.287 9.882 1.00 0.00 O ATOM 160 OE2 GLU A 28 12.023 -11.468 10.061 1.00 0.00 O ATOM 0 H GLU A 28 12.569 -9.753 7.359 1.00 0.00 H new ATOM 0 HA GLU A 28 10.249 -9.156 5.872 1.00 0.00 H new ATOM 0 HB2 GLU A 28 9.144 -10.653 7.237 1.00 0.00 H new ATOM 0 HB3 GLU A 28 10.798 -11.232 7.269 1.00 0.00 H new ATOM 0 HG2 GLU A 28 9.601 -9.479 9.438 1.00 0.00 H new ATOM 0 HG3 GLU A 28 9.575 -11.231 9.487 1.00 0.00 H new ATOM 167 N ALA A 29 10.808 -7.348 8.535 1.00 0.00 N ATOM 168 CA ALA A 29 10.417 -6.153 9.270 1.00 0.00 C ATOM 169 C ALA A 29 10.146 -4.984 8.336 1.00 0.00 C ATOM 170 O ALA A 29 9.189 -4.234 8.530 1.00 0.00 O ATOM 171 CB ALA A 29 11.497 -5.775 10.266 1.00 0.00 C ATOM 0 H ALA A 29 11.720 -7.719 8.802 1.00 0.00 H new ATOM 0 HA ALA A 29 9.493 -6.380 9.802 1.00 0.00 H new ATOM 0 HB1 ALA A 29 11.194 -4.880 10.810 1.00 0.00 H new ATOM 0 HB2 ALA A 29 11.646 -6.594 10.970 1.00 0.00 H new ATOM 0 HB3 ALA A 29 12.429 -5.579 9.735 1.00 0.00 H new ATOM 177 N GLN A 30 10.979 -4.836 7.312 1.00 0.00 N ATOM 178 CA GLN A 30 10.798 -3.755 6.360 1.00 0.00 C ATOM 179 C GLN A 30 9.542 -4.015 5.546 1.00 0.00 C ATOM 180 O GLN A 30 8.854 -3.093 5.109 1.00 0.00 O ATOM 181 CB GLN A 30 12.009 -3.615 5.433 1.00 0.00 C ATOM 182 CG GLN A 30 12.153 -2.210 4.882 1.00 0.00 C ATOM 183 CD GLN A 30 13.564 -1.883 4.444 1.00 0.00 C ATOM 184 OE1 GLN A 30 13.942 -2.117 3.302 1.00 0.00 O ATOM 185 NE2 GLN A 30 14.350 -1.334 5.353 1.00 0.00 N ATOM 0 H GLN A 30 11.776 -5.444 7.124 1.00 0.00 H new ATOM 0 HA GLN A 30 10.697 -2.820 6.911 1.00 0.00 H new ATOM 0 HB2 GLN A 30 12.914 -3.883 5.978 1.00 0.00 H new ATOM 0 HB3 GLN A 30 11.914 -4.319 4.606 1.00 0.00 H new ATOM 0 HG2 GLN A 30 11.479 -2.088 4.034 1.00 0.00 H new ATOM 0 HG3 GLN A 30 11.841 -1.495 5.643 1.00 0.00 H new ATOM 0 HE21 GLN A 30 13.996 -1.156 6.293 1.00 0.00 H new ATOM 0 HE22 GLN A 30 15.311 -1.088 5.115 1.00 0.00 H new ATOM 194 N GLU A 31 9.238 -5.291 5.381 1.00 0.00 N ATOM 195 CA GLU A 31 8.058 -5.711 4.653 1.00 0.00 C ATOM 196 C GLU A 31 6.817 -5.636 5.557 1.00 0.00 C ATOM 197 O GLU A 31 5.687 -5.637 5.077 1.00 0.00 O ATOM 198 CB GLU A 31 8.269 -7.130 4.111 1.00 0.00 C ATOM 199 CG GLU A 31 7.070 -7.689 3.359 1.00 0.00 C ATOM 200 CD GLU A 31 7.253 -9.133 2.940 1.00 0.00 C ATOM 201 OE1 GLU A 31 7.269 -10.014 3.826 1.00 0.00 O ATOM 202 OE2 GLU A 31 7.368 -9.397 1.725 1.00 0.00 O ATOM 0 H GLU A 31 9.800 -6.060 5.747 1.00 0.00 H new ATOM 0 HA GLU A 31 7.892 -5.040 3.810 1.00 0.00 H new ATOM 0 HB2 GLU A 31 9.134 -7.130 3.447 1.00 0.00 H new ATOM 0 HB3 GLU A 31 8.506 -7.794 4.942 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.184 -7.609 3.989 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.888 -7.080 2.473 1.00 0.00 H new ATOM 209 N GLN A 32 7.033 -5.546 6.867 1.00 0.00 N ATOM 210 CA GLN A 32 5.930 -5.415 7.821 1.00 0.00 C ATOM 211 C GLN A 32 5.369 -3.999 7.791 1.00 0.00 C ATOM 212 O GLN A 32 4.166 -3.799 7.953 1.00 0.00 O ATOM 213 CB GLN A 32 6.383 -5.748 9.242 1.00 0.00 C ATOM 214 CG GLN A 32 6.837 -7.187 9.420 1.00 0.00 C ATOM 215 CD GLN A 32 6.988 -7.578 10.876 1.00 0.00 C ATOM 216 OE1 GLN A 32 6.041 -8.044 11.506 1.00 0.00 O ATOM 217 NE2 GLN A 32 8.181 -7.409 11.415 1.00 0.00 N ATOM 0 H GLN A 32 7.959 -5.561 7.294 1.00 0.00 H new ATOM 0 HA GLN A 32 5.155 -6.123 7.527 1.00 0.00 H new ATOM 0 HB2 GLN A 32 7.201 -5.082 9.518 1.00 0.00 H new ATOM 0 HB3 GLN A 32 5.563 -5.548 9.931 1.00 0.00 H new ATOM 0 HG2 GLN A 32 6.118 -7.852 8.942 1.00 0.00 H new ATOM 0 HG3 GLN A 32 7.790 -7.329 8.910 1.00 0.00 H new ATOM 0 HE21 GLN A 32 8.942 -7.019 10.858 1.00 0.00 H new ATOM 0 HE22 GLN A 32 8.342 -7.669 12.388 1.00 0.00 H new ATOM 226 N GLN A 33 6.241 -3.013 7.612 1.00 0.00 N ATOM 227 CA GLN A 33 5.778 -1.655 7.338 1.00 0.00 C ATOM 228 C GLN A 33 4.918 -1.686 6.093 1.00 0.00 C ATOM 229 O GLN A 33 3.830 -1.116 6.047 1.00 0.00 O ATOM 230 CB GLN A 33 6.941 -0.689 7.115 1.00 0.00 C ATOM 231 CG GLN A 33 6.488 0.730 6.811 1.00 0.00 C ATOM 232 CD GLN A 33 7.650 1.694 6.652 1.00 0.00 C ATOM 233 OE1 GLN A 33 7.557 2.683 5.926 1.00 0.00 O ATOM 234 NE2 GLN A 33 8.744 1.424 7.344 1.00 0.00 N ATOM 0 H GLN A 33 7.254 -3.123 7.650 1.00 0.00 H new ATOM 0 HA GLN A 33 5.214 -1.303 8.202 1.00 0.00 H new ATOM 0 HB2 GLN A 33 7.573 -0.680 8.003 1.00 0.00 H new ATOM 0 HB3 GLN A 33 7.555 -1.053 6.291 1.00 0.00 H new ATOM 0 HG2 GLN A 33 5.894 0.730 5.897 1.00 0.00 H new ATOM 0 HG3 GLN A 33 5.838 1.080 7.613 1.00 0.00 H new ATOM 0 HE21 GLN A 33 8.782 0.594 7.935 1.00 0.00 H new ATOM 0 HE22 GLN A 33 9.550 2.046 7.287 1.00 0.00 H new ATOM 243 N PHE A 34 5.425 -2.392 5.094 1.00 0.00 N ATOM 244 CA PHE A 34 4.725 -2.595 3.843 1.00 0.00 C ATOM 245 C PHE A 34 3.385 -3.277 4.104 1.00 0.00 C ATOM 246 O PHE A 34 2.391 -2.965 3.459 1.00 0.00 O ATOM 247 CB PHE A 34 5.604 -3.440 2.918 1.00 0.00 C ATOM 248 CG PHE A 34 5.033 -3.699 1.559 1.00 0.00 C ATOM 249 CD1 PHE A 34 5.135 -2.747 0.559 1.00 0.00 C ATOM 250 CD2 PHE A 34 4.420 -4.908 1.271 1.00 0.00 C ATOM 251 CE1 PHE A 34 4.635 -2.994 -0.702 1.00 0.00 C ATOM 252 CE2 PHE A 34 3.914 -5.159 0.013 1.00 0.00 C ATOM 253 CZ PHE A 34 4.024 -4.201 -0.976 1.00 0.00 C ATOM 0 H PHE A 34 6.340 -2.841 5.133 1.00 0.00 H new ATOM 0 HA PHE A 34 4.525 -1.637 3.363 1.00 0.00 H new ATOM 0 HB2 PHE A 34 6.566 -2.941 2.801 1.00 0.00 H new ATOM 0 HB3 PHE A 34 5.798 -4.397 3.402 1.00 0.00 H new ATOM 0 HD1 PHE A 34 5.611 -1.801 0.769 1.00 0.00 H new ATOM 0 HD2 PHE A 34 4.338 -5.662 2.040 1.00 0.00 H new ATOM 0 HE1 PHE A 34 4.721 -2.244 -1.474 1.00 0.00 H new ATOM 0 HE2 PHE A 34 3.433 -6.102 -0.198 1.00 0.00 H new ATOM 0 HZ PHE A 34 3.632 -4.396 -1.963 1.00 0.00 H new ATOM 263 N ARG A 35 3.376 -4.188 5.079 1.00 0.00 N ATOM 264 CA ARG A 35 2.162 -4.894 5.487 1.00 0.00 C ATOM 265 C ARG A 35 1.075 -3.917 5.925 1.00 0.00 C ATOM 266 O ARG A 35 -0.051 -3.974 5.441 1.00 0.00 O ATOM 267 CB ARG A 35 2.474 -5.845 6.649 1.00 0.00 C ATOM 268 CG ARG A 35 2.334 -7.315 6.310 1.00 0.00 C ATOM 269 CD ARG A 35 3.267 -7.718 5.196 1.00 0.00 C ATOM 270 NE ARG A 35 2.739 -8.850 4.434 1.00 0.00 N ATOM 271 CZ ARG A 35 3.074 -9.124 3.176 1.00 0.00 C ATOM 272 NH1 ARG A 35 3.937 -8.351 2.533 1.00 0.00 N ATOM 273 NH2 ARG A 35 2.541 -10.170 2.558 1.00 0.00 N ATOM 0 H ARG A 35 4.207 -4.456 5.606 1.00 0.00 H new ATOM 0 HA ARG A 35 1.801 -5.459 4.627 1.00 0.00 H new ATOM 0 HB2 ARG A 35 3.492 -5.659 6.991 1.00 0.00 H new ATOM 0 HB3 ARG A 35 1.810 -5.612 7.482 1.00 0.00 H new ATOM 0 HG2 ARG A 35 2.543 -7.915 7.196 1.00 0.00 H new ATOM 0 HG3 ARG A 35 1.305 -7.525 6.018 1.00 0.00 H new ATOM 0 HD2 ARG A 35 3.424 -6.871 4.528 1.00 0.00 H new ATOM 0 HD3 ARG A 35 4.239 -7.981 5.612 1.00 0.00 H new ATOM 0 HE ARG A 35 2.072 -9.468 4.896 1.00 0.00 H new ATOM 0 HH11 ARG A 35 4.346 -7.543 3.003 1.00 0.00 H new ATOM 0 HH12 ARG A 35 4.192 -8.564 1.569 1.00 0.00 H new ATOM 0 HH21 ARG A 35 1.873 -10.766 3.047 1.00 0.00 H new ATOM 0 HH22 ARG A 35 2.799 -10.378 1.593 1.00 0.00 H new ATOM 287 N GLN A 36 1.425 -3.005 6.822 1.00 0.00 N ATOM 288 CA GLN A 36 0.455 -2.056 7.352 1.00 0.00 C ATOM 289 C GLN A 36 0.069 -1.035 6.300 1.00 0.00 C ATOM 290 O GLN A 36 -1.106 -0.707 6.139 1.00 0.00 O ATOM 291 CB GLN A 36 1.005 -1.348 8.587 1.00 0.00 C ATOM 292 CG GLN A 36 1.331 -2.297 9.724 1.00 0.00 C ATOM 293 CD GLN A 36 0.128 -3.092 10.182 1.00 0.00 C ATOM 294 OE1 GLN A 36 -0.129 -4.189 9.688 1.00 0.00 O ATOM 295 NE2 GLN A 36 -0.608 -2.559 11.140 1.00 0.00 N ATOM 0 H GLN A 36 2.368 -2.902 7.196 1.00 0.00 H new ATOM 0 HA GLN A 36 -0.435 -2.617 7.639 1.00 0.00 H new ATOM 0 HB2 GLN A 36 1.905 -0.798 8.312 1.00 0.00 H new ATOM 0 HB3 GLN A 36 0.276 -0.615 8.932 1.00 0.00 H new ATOM 0 HG2 GLN A 36 2.116 -2.983 9.406 1.00 0.00 H new ATOM 0 HG3 GLN A 36 1.727 -1.728 10.565 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -0.362 -1.647 11.524 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -1.422 -3.060 11.496 1.00 0.00 H new ATOM 304 N LEU A 37 1.067 -0.564 5.567 1.00 0.00 N ATOM 305 CA LEU A 37 0.862 0.461 4.564 1.00 0.00 C ATOM 306 C LEU A 37 -0.037 -0.043 3.432 1.00 0.00 C ATOM 307 O LEU A 37 -0.670 0.747 2.738 1.00 0.00 O ATOM 308 CB LEU A 37 2.215 0.951 4.030 1.00 0.00 C ATOM 309 CG LEU A 37 3.123 1.629 5.062 1.00 0.00 C ATOM 310 CD1 LEU A 37 4.357 2.215 4.396 1.00 0.00 C ATOM 311 CD2 LEU A 37 2.367 2.700 5.829 1.00 0.00 C ATOM 0 H LEU A 37 2.033 -0.881 5.652 1.00 0.00 H new ATOM 0 HA LEU A 37 0.350 1.304 5.028 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.748 0.101 3.605 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.033 1.652 3.216 1.00 0.00 H new ATOM 0 HG LEU A 37 3.449 0.869 5.773 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.986 2.691 5.149 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.918 1.420 3.905 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.054 2.956 3.656 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.033 3.166 6.555 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.002 3.456 5.134 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.523 2.247 6.349 1.00 0.00 H new ATOM 323 N THR A 38 -0.102 -1.361 3.252 1.00 0.00 N ATOM 324 CA THR A 38 -0.963 -1.935 2.227 1.00 0.00 C ATOM 325 C THR A 38 -2.329 -2.351 2.785 1.00 0.00 C ATOM 326 O THR A 38 -3.273 -2.556 2.024 1.00 0.00 O ATOM 327 CB THR A 38 -0.315 -3.154 1.541 1.00 0.00 C ATOM 328 OG1 THR A 38 0.273 -4.022 2.512 1.00 0.00 O ATOM 329 CG2 THR A 38 0.729 -2.726 0.522 1.00 0.00 C ATOM 0 H THR A 38 0.426 -2.043 3.797 1.00 0.00 H new ATOM 0 HA THR A 38 -1.106 -1.145 1.490 1.00 0.00 H new ATOM 0 HB THR A 38 -1.102 -3.694 1.014 1.00 0.00 H new ATOM 0 HG1 THR A 38 1.220 -3.795 2.623 1.00 0.00 H new ATOM 0 HG21 THR A 38 1.167 -3.609 0.057 1.00 0.00 H new ATOM 0 HG22 THR A 38 0.259 -2.108 -0.243 1.00 0.00 H new ATOM 0 HG23 THR A 38 1.511 -2.154 1.021 1.00 0.00 H new ATOM 337 N GLU A 39 -2.445 -2.485 4.107 1.00 0.00 N ATOM 338 CA GLU A 39 -3.707 -2.918 4.703 1.00 0.00 C ATOM 339 C GLU A 39 -4.578 -1.738 5.118 1.00 0.00 C ATOM 340 O GLU A 39 -5.808 -1.844 5.143 1.00 0.00 O ATOM 341 CB GLU A 39 -3.473 -3.844 5.896 1.00 0.00 C ATOM 342 CG GLU A 39 -2.934 -5.209 5.504 1.00 0.00 C ATOM 343 CD GLU A 39 -3.223 -6.264 6.546 1.00 0.00 C ATOM 344 OE1 GLU A 39 -2.401 -6.450 7.465 1.00 0.00 O ATOM 345 OE2 GLU A 39 -4.279 -6.923 6.444 1.00 0.00 O ATOM 0 H GLU A 39 -1.695 -2.304 4.774 1.00 0.00 H new ATOM 0 HA GLU A 39 -4.240 -3.474 3.931 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -2.773 -3.369 6.583 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -4.411 -3.973 6.436 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -3.374 -5.511 4.554 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -1.857 -5.141 5.349 1.00 0.00 H new ATOM 352 N GLU A 40 -3.952 -0.617 5.451 1.00 0.00 N ATOM 353 CA GLU A 40 -4.699 0.589 5.784 1.00 0.00 C ATOM 354 C GLU A 40 -5.190 1.274 4.512 1.00 0.00 C ATOM 355 O GLU A 40 -5.975 2.223 4.558 1.00 0.00 O ATOM 356 CB GLU A 40 -3.844 1.544 6.617 1.00 0.00 C ATOM 357 CG GLU A 40 -3.462 0.977 7.975 1.00 0.00 C ATOM 358 CD GLU A 40 -2.811 2.006 8.877 1.00 0.00 C ATOM 359 OE1 GLU A 40 -3.538 2.785 9.522 1.00 0.00 O ATOM 360 OE2 GLU A 40 -1.561 2.050 8.927 1.00 0.00 O ATOM 0 H GLU A 40 -2.938 -0.517 5.498 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.565 0.305 6.381 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -2.937 1.786 6.063 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.388 2.477 6.760 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.353 0.584 8.464 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -2.779 0.139 7.835 1.00 0.00 H new ATOM 367 N LEU A 41 -4.731 0.771 3.375 1.00 0.00 N ATOM 368 CA LEU A 41 -5.156 1.276 2.086 1.00 0.00 C ATOM 369 C LEU A 41 -6.101 0.289 1.413 1.00 0.00 C ATOM 370 O LEU A 41 -5.815 -0.901 1.324 1.00 0.00 O ATOM 371 CB LEU A 41 -3.948 1.550 1.189 1.00 0.00 C ATOM 372 CG LEU A 41 -4.283 1.899 -0.258 1.00 0.00 C ATOM 373 CD1 LEU A 41 -5.290 3.032 -0.307 1.00 0.00 C ATOM 374 CD2 LEU A 41 -3.020 2.269 -1.010 1.00 0.00 C ATOM 0 H LEU A 41 -4.058 0.006 3.324 1.00 0.00 H new ATOM 0 HA LEU A 41 -5.687 2.214 2.245 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.373 2.369 1.620 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -3.304 0.671 1.195 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.728 1.027 -0.738 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -5.519 3.270 -1.346 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.203 2.730 0.206 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.872 3.911 0.183 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.270 2.516 -2.042 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.552 3.130 -0.534 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.328 1.427 -0.996 1.00 0.00 H new ATOM 386 N ARG A 42 -7.233 0.795 0.955 1.00 0.00 N ATOM 387 CA ARG A 42 -8.210 -0.024 0.270 1.00 0.00 C ATOM 388 C ARG A 42 -8.082 0.069 -1.240 1.00 0.00 C ATOM 389 O ARG A 42 -7.885 1.149 -1.799 1.00 0.00 O ATOM 390 CB ARG A 42 -9.634 0.387 0.631 1.00 0.00 C ATOM 391 CG ARG A 42 -10.222 -0.313 1.835 1.00 0.00 C ATOM 392 CD ARG A 42 -11.731 -0.147 1.831 1.00 0.00 C ATOM 393 NE ARG A 42 -12.365 -0.723 3.010 1.00 0.00 N ATOM 394 CZ ARG A 42 -13.682 -0.776 3.194 1.00 0.00 C ATOM 395 NH1 ARG A 42 -14.499 -0.326 2.251 1.00 0.00 N ATOM 396 NH2 ARG A 42 -14.177 -1.280 4.320 1.00 0.00 N ATOM 0 H ARG A 42 -7.497 1.776 1.048 1.00 0.00 H new ATOM 0 HA ARG A 42 -8.012 -1.046 0.594 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -9.650 1.462 0.812 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -10.278 0.199 -0.228 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -9.962 -1.371 1.816 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -9.802 0.102 2.751 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -11.975 0.914 1.774 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -12.141 -0.617 0.937 1.00 0.00 H new ATOM 0 HE ARG A 42 -11.763 -1.109 3.738 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -14.118 0.060 1.387 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -15.509 -0.366 2.390 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -13.547 -1.626 5.044 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -15.187 -1.320 4.460 1.00 0.00 H new ATOM 410 N CYS A 43 -8.191 -1.080 -1.880 1.00 0.00 N ATOM 411 CA CYS A 43 -8.496 -1.148 -3.294 1.00 0.00 C ATOM 412 C CYS A 43 -10.007 -1.327 -3.405 1.00 0.00 C ATOM 413 O CYS A 43 -10.594 -2.018 -2.570 1.00 0.00 O ATOM 414 CB CYS A 43 -7.757 -2.326 -3.946 1.00 0.00 C ATOM 415 SG CYS A 43 -7.964 -2.455 -5.738 1.00 0.00 S ATOM 0 H CYS A 43 -8.071 -1.990 -1.434 1.00 0.00 H new ATOM 0 HA CYS A 43 -8.174 -0.244 -3.811 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -6.694 -2.238 -3.723 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -8.103 -3.252 -3.487 1.00 0.00 H new ATOM 0 HG CYS A 43 -7.297 -3.480 -6.179 1.00 0.00 H new ATOM 421 N PRO A 44 -10.667 -0.671 -4.373 1.00 0.00 N ATOM 422 CA PRO A 44 -12.126 -0.754 -4.543 1.00 0.00 C ATOM 423 C PRO A 44 -12.595 -2.150 -4.964 1.00 0.00 C ATOM 424 O PRO A 44 -13.086 -2.345 -6.075 1.00 0.00 O ATOM 425 CB PRO A 44 -12.421 0.274 -5.649 1.00 0.00 C ATOM 426 CG PRO A 44 -11.199 1.127 -5.721 1.00 0.00 C ATOM 427 CD PRO A 44 -10.060 0.223 -5.362 1.00 0.00 C ATOM 0 HA PRO A 44 -12.651 -0.555 -3.609 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -12.616 -0.217 -6.602 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -13.303 0.868 -5.410 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -11.070 1.544 -6.720 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -11.266 1.968 -5.031 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -9.686 -0.323 -6.228 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -9.218 0.776 -4.947 1.00 0.00 H new ATOM 435 N LYS A 45 -12.430 -3.111 -4.065 1.00 0.00 N ATOM 436 CA LYS A 45 -12.838 -4.485 -4.302 1.00 0.00 C ATOM 437 C LYS A 45 -12.910 -5.234 -2.976 1.00 0.00 C ATOM 438 O LYS A 45 -11.900 -5.407 -2.297 1.00 0.00 O ATOM 439 CB LYS A 45 -11.853 -5.171 -5.255 1.00 0.00 C ATOM 440 CG LYS A 45 -12.264 -6.572 -5.668 1.00 0.00 C ATOM 441 CD LYS A 45 -11.415 -7.072 -6.821 1.00 0.00 C ATOM 442 CE LYS A 45 -11.878 -8.432 -7.316 1.00 0.00 C ATOM 443 NZ LYS A 45 -11.211 -8.805 -8.591 1.00 0.00 N ATOM 0 H LYS A 45 -12.008 -2.957 -3.149 1.00 0.00 H new ATOM 0 HA LYS A 45 -13.825 -4.493 -4.765 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -11.743 -4.558 -6.149 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -10.874 -5.217 -4.777 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -12.165 -7.249 -4.819 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -13.315 -6.576 -5.958 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -11.456 -6.354 -7.640 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -10.374 -7.136 -6.505 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -11.666 -9.187 -6.559 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -12.958 -8.419 -7.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -11.550 -9.738 -8.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -11.434 -8.097 -9.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -10.182 -8.841 -8.447 1.00 0.00 H new ATOM 457 N CYS A 46 -14.113 -5.662 -2.613 1.00 0.00 N ATOM 458 CA CYS A 46 -14.347 -6.340 -1.344 1.00 0.00 C ATOM 459 C CYS A 46 -13.732 -7.729 -1.332 1.00 0.00 C ATOM 460 O CYS A 46 -13.349 -8.247 -0.284 1.00 0.00 O ATOM 461 CB CYS A 46 -15.844 -6.438 -1.086 1.00 0.00 C ATOM 462 SG CYS A 46 -16.677 -4.833 -1.002 1.00 0.00 S ATOM 0 H CYS A 46 -14.949 -5.550 -3.186 1.00 0.00 H new ATOM 0 HA CYS A 46 -13.872 -5.756 -0.556 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -16.301 -7.033 -1.876 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -16.008 -6.971 -0.150 1.00 0.00 H new ATOM 0 HG CYS A 46 -17.946 -5.013 -0.782 1.00 0.00 H new ATOM 468 N GLN A 47 -13.632 -8.318 -2.506 1.00 0.00 N ATOM 469 CA GLN A 47 -13.112 -9.666 -2.646 1.00 0.00 C ATOM 470 C GLN A 47 -11.598 -9.660 -2.844 1.00 0.00 C ATOM 471 O GLN A 47 -11.047 -10.469 -3.594 1.00 0.00 O ATOM 472 CB GLN A 47 -13.813 -10.350 -3.814 1.00 0.00 C ATOM 473 CG GLN A 47 -15.313 -10.473 -3.604 1.00 0.00 C ATOM 474 CD GLN A 47 -15.657 -11.336 -2.411 1.00 0.00 C ATOM 475 OE1 GLN A 47 -15.822 -10.841 -1.296 1.00 0.00 O ATOM 476 NE2 GLN A 47 -15.750 -12.636 -2.634 1.00 0.00 N ATOM 0 H GLN A 47 -13.906 -7.881 -3.386 1.00 0.00 H new ATOM 0 HA GLN A 47 -13.311 -10.221 -1.729 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -13.623 -9.787 -4.728 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -13.387 -11.343 -3.957 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -15.741 -9.480 -3.467 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -15.769 -10.896 -4.499 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -15.606 -13.004 -3.574 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -15.966 -13.271 -1.866 1.00 0.00 H new ATOM 485 N ASN A 48 -10.933 -8.745 -2.161 1.00 0.00 N ATOM 486 CA ASN A 48 -9.489 -8.628 -2.234 1.00 0.00 C ATOM 487 C ASN A 48 -8.966 -8.034 -0.932 1.00 0.00 C ATOM 488 O ASN A 48 -9.550 -7.093 -0.399 1.00 0.00 O ATOM 489 CB ASN A 48 -9.092 -7.756 -3.430 1.00 0.00 C ATOM 490 CG ASN A 48 -7.597 -7.730 -3.658 1.00 0.00 C ATOM 491 OD1 ASN A 48 -7.044 -8.599 -4.331 1.00 0.00 O ATOM 492 ND2 ASN A 48 -6.935 -6.725 -3.120 1.00 0.00 N ATOM 0 H ASN A 48 -11.377 -8.066 -1.543 1.00 0.00 H new ATOM 0 HA ASN A 48 -9.047 -9.615 -2.374 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -9.586 -8.129 -4.327 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -9.449 -6.739 -3.268 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -5.927 -6.648 -3.255 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -7.431 -6.025 -2.568 1.00 0.00 H new ATOM 499 N ASN A 49 -7.876 -8.591 -0.414 1.00 0.00 N ATOM 500 CA ASN A 49 -7.338 -8.165 0.879 1.00 0.00 C ATOM 501 C ASN A 49 -6.613 -6.829 0.758 1.00 0.00 C ATOM 502 O ASN A 49 -5.381 -6.788 0.705 1.00 0.00 O ATOM 503 CB ASN A 49 -6.381 -9.220 1.444 1.00 0.00 C ATOM 504 CG ASN A 49 -7.029 -10.579 1.606 1.00 0.00 C ATOM 505 OD1 ASN A 49 -6.980 -11.414 0.701 1.00 0.00 O ATOM 506 ND2 ASN A 49 -7.643 -10.812 2.755 1.00 0.00 N ATOM 0 H ASN A 49 -7.347 -9.337 -0.866 1.00 0.00 H new ATOM 0 HA ASN A 49 -8.180 -8.046 1.561 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -5.518 -9.311 0.784 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -6.008 -8.884 2.411 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -8.099 -11.710 2.917 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -7.661 -10.093 3.479 1.00 0.00 H new ATOM 513 N SER A 50 -7.392 -5.748 0.725 1.00 0.00 N ATOM 514 CA SER A 50 -6.862 -4.399 0.562 1.00 0.00 C ATOM 515 C SER A 50 -5.986 -4.317 -0.689 1.00 0.00 C ATOM 516 O SER A 50 -6.505 -4.329 -1.803 1.00 0.00 O ATOM 517 CB SER A 50 -6.095 -3.965 1.813 1.00 0.00 C ATOM 518 OG SER A 50 -6.930 -4.005 2.962 1.00 0.00 O ATOM 0 H SER A 50 -8.408 -5.785 0.811 1.00 0.00 H new ATOM 0 HA SER A 50 -7.696 -3.709 0.431 1.00 0.00 H new ATOM 0 HB2 SER A 50 -5.235 -4.618 1.961 1.00 0.00 H new ATOM 0 HB3 SER A 50 -5.709 -2.955 1.675 1.00 0.00 H new ATOM 0 HG SER A 50 -6.613 -3.351 3.619 1.00 0.00 H new ATOM 524 N ILE A 51 -4.669 -4.236 -0.510 1.00 0.00 N ATOM 525 CA ILE A 51 -3.732 -4.388 -1.623 1.00 0.00 C ATOM 526 C ILE A 51 -2.514 -5.186 -1.172 1.00 0.00 C ATOM 527 O ILE A 51 -1.601 -5.429 -1.958 1.00 0.00 O ATOM 528 CB ILE A 51 -3.237 -3.034 -2.192 1.00 0.00 C ATOM 529 CG1 ILE A 51 -2.522 -2.231 -1.107 1.00 0.00 C ATOM 530 CG2 ILE A 51 -4.384 -2.225 -2.781 1.00 0.00 C ATOM 531 CD1 ILE A 51 -1.779 -1.024 -1.633 1.00 0.00 C ATOM 0 H ILE A 51 -4.226 -4.066 0.393 1.00 0.00 H new ATOM 0 HA ILE A 51 -4.278 -4.907 -2.411 1.00 0.00 H new ATOM 0 HB ILE A 51 -2.533 -3.248 -2.996 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -3.254 -1.903 -0.369 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.818 -2.883 -0.590 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -4.001 -1.282 -3.171 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -4.850 -2.789 -3.589 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -5.123 -2.024 -2.006 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -1.297 -0.504 -0.805 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -1.023 -1.346 -2.349 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -2.481 -0.350 -2.125 1.00 0.00 H new ATOM 543 N ALA A 52 -2.523 -5.603 0.095 1.00 0.00 N ATOM 544 CA ALA A 52 -1.357 -6.223 0.726 1.00 0.00 C ATOM 545 C ALA A 52 -0.898 -7.459 -0.029 1.00 0.00 C ATOM 546 O ALA A 52 0.221 -7.501 -0.540 1.00 0.00 O ATOM 547 CB ALA A 52 -1.666 -6.570 2.170 1.00 0.00 C ATOM 0 H ALA A 52 -3.333 -5.521 0.709 1.00 0.00 H new ATOM 0 HA ALA A 52 -0.541 -5.500 0.698 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -0.791 -7.031 2.629 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -1.926 -5.662 2.715 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -2.503 -7.267 2.206 1.00 0.00 H new ATOM 553 N ASP A 53 -1.756 -8.463 -0.089 1.00 0.00 N ATOM 554 CA ASP A 53 -1.480 -9.642 -0.890 1.00 0.00 C ATOM 555 C ASP A 53 -2.492 -9.725 -2.013 1.00 0.00 C ATOM 556 O ASP A 53 -3.570 -10.299 -1.862 1.00 0.00 O ATOM 557 CB ASP A 53 -1.508 -10.922 -0.050 1.00 0.00 C ATOM 558 CG ASP A 53 -1.185 -12.156 -0.878 1.00 0.00 C ATOM 559 OD1 ASP A 53 -0.069 -12.232 -1.437 1.00 0.00 O ATOM 560 OD2 ASP A 53 -2.047 -13.054 -0.982 1.00 0.00 O ATOM 0 H ASP A 53 -2.647 -8.485 0.406 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.475 -9.552 -1.301 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -0.791 -10.835 0.766 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -2.493 -11.037 0.402 1.00 0.00 H new ATOM 565 N SER A 54 -2.156 -9.106 -3.126 1.00 0.00 N ATOM 566 CA SER A 54 -3.046 -9.043 -4.267 1.00 0.00 C ATOM 567 C SER A 54 -2.251 -9.241 -5.544 1.00 0.00 C ATOM 568 O SER A 54 -1.051 -8.978 -5.580 1.00 0.00 O ATOM 569 CB SER A 54 -3.749 -7.690 -4.291 1.00 0.00 C ATOM 570 OG SER A 54 -4.282 -7.381 -3.016 1.00 0.00 O ATOM 0 H SER A 54 -1.262 -8.634 -3.265 1.00 0.00 H new ATOM 0 HA SER A 54 -3.795 -9.831 -4.190 1.00 0.00 H new ATOM 0 HB2 SER A 54 -3.046 -6.914 -4.595 1.00 0.00 H new ATOM 0 HB3 SER A 54 -4.549 -7.703 -5.032 1.00 0.00 H new ATOM 0 HG SER A 54 -4.804 -8.142 -2.687 1.00 0.00 H new ATOM 576 N ASN A 55 -2.909 -9.711 -6.586 1.00 0.00 N ATOM 577 CA ASN A 55 -2.230 -9.944 -7.851 1.00 0.00 C ATOM 578 C ASN A 55 -2.724 -8.967 -8.904 1.00 0.00 C ATOM 579 O ASN A 55 -2.360 -9.060 -10.074 1.00 0.00 O ATOM 580 CB ASN A 55 -2.425 -11.385 -8.319 1.00 0.00 C ATOM 581 CG ASN A 55 -1.803 -12.398 -7.371 1.00 0.00 C ATOM 582 OD1 ASN A 55 -2.273 -13.530 -7.257 1.00 0.00 O ATOM 583 ND2 ASN A 55 -0.743 -12.004 -6.677 1.00 0.00 N ATOM 0 H ASN A 55 -3.903 -9.938 -6.585 1.00 0.00 H new ATOM 0 HA ASN A 55 -1.163 -9.782 -7.700 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -3.491 -11.590 -8.415 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -1.987 -11.504 -9.310 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -0.293 -12.646 -6.025 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -0.379 -11.059 -6.795 1.00 0.00 H new ATOM 590 N SER A 56 -3.558 -8.032 -8.476 1.00 0.00 N ATOM 591 CA SER A 56 -4.034 -6.979 -9.351 1.00 0.00 C ATOM 592 C SER A 56 -2.879 -6.066 -9.743 1.00 0.00 C ATOM 593 O SER A 56 -2.058 -5.677 -8.905 1.00 0.00 O ATOM 594 CB SER A 56 -5.132 -6.173 -8.661 1.00 0.00 C ATOM 595 OG SER A 56 -5.609 -5.129 -9.495 1.00 0.00 O ATOM 0 H SER A 56 -3.919 -7.984 -7.523 1.00 0.00 H new ATOM 0 HA SER A 56 -4.449 -7.431 -10.252 1.00 0.00 H new ATOM 0 HB2 SER A 56 -5.957 -6.833 -8.394 1.00 0.00 H new ATOM 0 HB3 SER A 56 -4.747 -5.752 -7.732 1.00 0.00 H new ATOM 0 HG SER A 56 -6.312 -4.632 -9.027 1.00 0.00 H new ATOM 601 N MET A 57 -2.833 -5.735 -11.028 1.00 0.00 N ATOM 602 CA MET A 57 -1.820 -4.839 -11.580 1.00 0.00 C ATOM 603 C MET A 57 -1.798 -3.534 -10.809 1.00 0.00 C ATOM 604 O MET A 57 -0.739 -2.975 -10.529 1.00 0.00 O ATOM 605 CB MET A 57 -2.127 -4.523 -13.046 1.00 0.00 C ATOM 606 CG MET A 57 -2.754 -5.671 -13.805 1.00 0.00 C ATOM 607 SD MET A 57 -4.392 -5.272 -14.449 1.00 0.00 S ATOM 608 CE MET A 57 -5.341 -5.133 -12.932 1.00 0.00 C ATOM 0 H MET A 57 -3.498 -6.081 -11.720 1.00 0.00 H new ATOM 0 HA MET A 57 -0.854 -5.338 -11.502 1.00 0.00 H new ATOM 0 HB2 MET A 57 -2.796 -3.664 -13.089 1.00 0.00 H new ATOM 0 HB3 MET A 57 -1.203 -4.232 -13.546 1.00 0.00 H new ATOM 0 HG2 MET A 57 -2.102 -5.953 -14.632 1.00 0.00 H new ATOM 0 HG3 MET A 57 -2.828 -6.538 -13.148 1.00 0.00 H new ATOM 0 HE1 MET A 57 -6.274 -4.606 -13.133 1.00 0.00 H new ATOM 0 HE2 MET A 57 -5.563 -6.129 -12.549 1.00 0.00 H new ATOM 0 HE3 MET A 57 -4.764 -4.580 -12.191 1.00 0.00 H new ATOM 618 N ILE A 58 -2.987 -3.066 -10.466 1.00 0.00 N ATOM 619 CA ILE A 58 -3.148 -1.775 -9.829 1.00 0.00 C ATOM 620 C ILE A 58 -2.829 -1.877 -8.334 1.00 0.00 C ATOM 621 O ILE A 58 -2.341 -0.924 -7.733 1.00 0.00 O ATOM 622 CB ILE A 58 -4.576 -1.206 -10.098 1.00 0.00 C ATOM 623 CG1 ILE A 58 -5.512 -1.374 -8.899 1.00 0.00 C ATOM 624 CG2 ILE A 58 -5.178 -1.873 -11.326 1.00 0.00 C ATOM 625 CD1 ILE A 58 -5.382 -0.257 -7.890 1.00 0.00 C ATOM 0 H ILE A 58 -3.861 -3.569 -10.621 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.439 -1.069 -10.262 1.00 0.00 H new ATOM 0 HB ILE A 58 -4.468 -0.136 -10.273 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -6.542 -1.419 -9.252 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -5.301 -2.325 -8.410 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -6.175 -1.470 -11.507 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -4.545 -1.679 -12.192 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -5.246 -2.948 -11.160 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -6.070 -0.432 -7.063 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -4.360 -0.226 -7.511 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -5.621 0.694 -8.367 1.00 0.00 H new ATOM 637 N ALA A 59 -3.081 -3.043 -7.741 1.00 0.00 N ATOM 638 CA ALA A 59 -2.731 -3.266 -6.343 1.00 0.00 C ATOM 639 C ALA A 59 -1.227 -3.141 -6.171 1.00 0.00 C ATOM 640 O ALA A 59 -0.740 -2.486 -5.250 1.00 0.00 O ATOM 641 CB ALA A 59 -3.205 -4.632 -5.872 1.00 0.00 C ATOM 0 H ALA A 59 -3.522 -3.839 -8.203 1.00 0.00 H new ATOM 0 HA ALA A 59 -3.230 -2.512 -5.734 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -2.931 -4.772 -4.826 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.288 -4.697 -5.975 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -2.736 -5.408 -6.477 1.00 0.00 H new ATOM 647 N THR A 60 -0.495 -3.769 -7.079 1.00 0.00 N ATOM 648 CA THR A 60 0.951 -3.658 -7.108 1.00 0.00 C ATOM 649 C THR A 60 1.378 -2.216 -7.386 1.00 0.00 C ATOM 650 O THR A 60 2.333 -1.716 -6.792 1.00 0.00 O ATOM 651 CB THR A 60 1.541 -4.596 -8.172 1.00 0.00 C ATOM 652 OG1 THR A 60 1.202 -5.953 -7.858 1.00 0.00 O ATOM 653 CG2 THR A 60 3.046 -4.442 -8.247 1.00 0.00 C ATOM 0 H THR A 60 -0.885 -4.364 -7.810 1.00 0.00 H new ATOM 0 HA THR A 60 1.333 -3.951 -6.130 1.00 0.00 H new ATOM 0 HB THR A 60 1.121 -4.332 -9.143 1.00 0.00 H new ATOM 0 HG1 THR A 60 1.578 -6.550 -8.539 1.00 0.00 H new ATOM 0 HG21 THR A 60 3.443 -5.115 -9.007 1.00 0.00 H new ATOM 0 HG22 THR A 60 3.294 -3.413 -8.508 1.00 0.00 H new ATOM 0 HG23 THR A 60 3.485 -4.686 -7.280 1.00 0.00 H new ATOM 661 N ASP A 61 0.640 -1.557 -8.276 1.00 0.00 N ATOM 662 CA ASP A 61 0.874 -0.151 -8.615 1.00 0.00 C ATOM 663 C ASP A 61 0.947 0.702 -7.352 1.00 0.00 C ATOM 664 O ASP A 61 1.891 1.470 -7.152 1.00 0.00 O ATOM 665 CB ASP A 61 -0.270 0.375 -9.488 1.00 0.00 C ATOM 666 CG ASP A 61 0.129 1.586 -10.303 1.00 0.00 C ATOM 667 OD1 ASP A 61 0.670 1.410 -11.414 1.00 0.00 O ATOM 668 OD2 ASP A 61 -0.080 2.723 -9.828 1.00 0.00 O ATOM 0 H ASP A 61 -0.137 -1.980 -8.784 1.00 0.00 H new ATOM 0 HA ASP A 61 1.819 -0.088 -9.154 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -0.603 -0.416 -10.159 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -1.118 0.632 -8.853 1.00 0.00 H new ATOM 673 N LEU A 62 -0.050 0.531 -6.494 1.00 0.00 N ATOM 674 CA LEU A 62 -0.143 1.290 -5.255 1.00 0.00 C ATOM 675 C LEU A 62 0.962 0.881 -4.290 1.00 0.00 C ATOM 676 O LEU A 62 1.550 1.719 -3.609 1.00 0.00 O ATOM 677 CB LEU A 62 -1.508 1.068 -4.599 1.00 0.00 C ATOM 678 CG LEU A 62 -2.715 1.238 -5.520 1.00 0.00 C ATOM 679 CD1 LEU A 62 -4.001 1.122 -4.721 1.00 0.00 C ATOM 680 CD2 LEU A 62 -2.654 2.566 -6.257 1.00 0.00 C ATOM 0 H LEU A 62 -0.811 -0.133 -6.636 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.027 2.347 -5.494 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.531 0.062 -4.180 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.608 1.763 -3.765 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.696 0.444 -6.266 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.855 1.245 -5.387 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.048 0.141 -4.247 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -4.024 1.897 -3.954 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.525 2.662 -6.906 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.647 3.383 -5.535 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.746 2.607 -6.859 1.00 0.00 H new ATOM 692 N ARG A 63 1.252 -0.414 -4.249 1.00 0.00 N ATOM 693 CA ARG A 63 2.267 -0.947 -3.349 1.00 0.00 C ATOM 694 C ARG A 63 3.650 -0.398 -3.682 1.00 0.00 C ATOM 695 O ARG A 63 4.477 -0.197 -2.793 1.00 0.00 O ATOM 696 CB ARG A 63 2.277 -2.474 -3.394 1.00 0.00 C ATOM 697 CG ARG A 63 1.036 -3.093 -2.773 1.00 0.00 C ATOM 698 CD ARG A 63 1.160 -4.599 -2.639 1.00 0.00 C ATOM 699 NE ARG A 63 1.104 -5.274 -3.943 1.00 0.00 N ATOM 700 CZ ARG A 63 1.137 -6.600 -4.113 1.00 0.00 C ATOM 701 NH1 ARG A 63 1.123 -7.411 -3.063 1.00 0.00 N ATOM 702 NH2 ARG A 63 1.155 -7.116 -5.337 1.00 0.00 N ATOM 0 H ARG A 63 0.796 -1.117 -4.831 1.00 0.00 H new ATOM 0 HA ARG A 63 2.013 -0.627 -2.338 1.00 0.00 H new ATOM 0 HB2 ARG A 63 2.360 -2.801 -4.430 1.00 0.00 H new ATOM 0 HB3 ARG A 63 3.160 -2.842 -2.872 1.00 0.00 H new ATOM 0 HG2 ARG A 63 0.865 -2.654 -1.790 1.00 0.00 H new ATOM 0 HG3 ARG A 63 0.166 -2.854 -3.385 1.00 0.00 H new ATOM 0 HD2 ARG A 63 2.100 -4.843 -2.145 1.00 0.00 H new ATOM 0 HD3 ARG A 63 0.359 -4.974 -2.002 1.00 0.00 H new ATOM 0 HE ARG A 63 1.035 -4.690 -4.777 1.00 0.00 H new ATOM 0 HH11 ARG A 63 1.087 -7.024 -2.120 1.00 0.00 H new ATOM 0 HH12 ARG A 63 1.148 -8.422 -3.199 1.00 0.00 H new ATOM 0 HH21 ARG A 63 1.144 -6.500 -6.150 1.00 0.00 H new ATOM 0 HH22 ARG A 63 1.180 -8.128 -5.464 1.00 0.00 H new ATOM 716 N GLN A 64 3.899 -0.159 -4.962 1.00 0.00 N ATOM 717 CA GLN A 64 5.151 0.447 -5.387 1.00 0.00 C ATOM 718 C GLN A 64 5.249 1.877 -4.872 1.00 0.00 C ATOM 719 O GLN A 64 6.319 2.314 -4.454 1.00 0.00 O ATOM 720 CB GLN A 64 5.280 0.405 -6.909 1.00 0.00 C ATOM 721 CG GLN A 64 5.295 -1.010 -7.465 1.00 0.00 C ATOM 722 CD GLN A 64 5.472 -1.065 -8.971 1.00 0.00 C ATOM 723 OE1 GLN A 64 4.986 -1.987 -9.630 1.00 0.00 O ATOM 724 NE2 GLN A 64 6.175 -0.091 -9.528 1.00 0.00 N ATOM 0 H GLN A 64 3.253 -0.375 -5.721 1.00 0.00 H new ATOM 0 HA GLN A 64 5.976 -0.126 -4.963 1.00 0.00 H new ATOM 0 HB2 GLN A 64 4.451 0.955 -7.354 1.00 0.00 H new ATOM 0 HB3 GLN A 64 6.197 0.915 -7.205 1.00 0.00 H new ATOM 0 HG2 GLN A 64 6.101 -1.570 -6.991 1.00 0.00 H new ATOM 0 HG3 GLN A 64 4.362 -1.507 -7.198 1.00 0.00 H new ATOM 0 HE21 GLN A 64 6.561 0.655 -8.949 1.00 0.00 H new ATOM 0 HE22 GLN A 64 6.330 -0.086 -10.536 1.00 0.00 H new ATOM 733 N LYS A 65 4.122 2.590 -4.871 1.00 0.00 N ATOM 734 CA LYS A 65 4.072 3.931 -4.298 1.00 0.00 C ATOM 735 C LYS A 65 4.419 3.864 -2.817 1.00 0.00 C ATOM 736 O LYS A 65 5.244 4.628 -2.332 1.00 0.00 O ATOM 737 CB LYS A 65 2.685 4.554 -4.477 1.00 0.00 C ATOM 738 CG LYS A 65 2.550 5.951 -3.875 1.00 0.00 C ATOM 739 CD LYS A 65 2.987 7.036 -4.849 1.00 0.00 C ATOM 740 CE LYS A 65 4.466 7.333 -4.704 1.00 0.00 C ATOM 741 NZ LYS A 65 4.978 8.234 -5.771 1.00 0.00 N ATOM 0 H LYS A 65 3.238 2.262 -5.259 1.00 0.00 H new ATOM 0 HA LYS A 65 4.796 4.557 -4.819 1.00 0.00 H new ATOM 0 HB2 LYS A 65 2.455 4.604 -5.541 1.00 0.00 H new ATOM 0 HB3 LYS A 65 1.942 3.900 -4.021 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.514 6.122 -3.583 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.151 6.015 -2.968 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.774 6.720 -5.870 1.00 0.00 H new ATOM 0 HD3 LYS A 65 2.411 7.944 -4.670 1.00 0.00 H new ATOM 0 HE2 LYS A 65 4.647 7.790 -3.731 1.00 0.00 H new ATOM 0 HE3 LYS A 65 5.024 6.397 -4.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 5.993 8.404 -5.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 4.832 7.790 -6.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 4.467 9.139 -5.736 1.00 0.00 H new ATOM 755 N VAL A 66 3.784 2.924 -2.119 1.00 0.00 N ATOM 756 CA VAL A 66 4.040 2.683 -0.702 1.00 0.00 C ATOM 757 C VAL A 66 5.535 2.506 -0.422 1.00 0.00 C ATOM 758 O VAL A 66 6.052 3.034 0.565 1.00 0.00 O ATOM 759 CB VAL A 66 3.246 1.451 -0.212 1.00 0.00 C ATOM 760 CG1 VAL A 66 3.741 0.996 1.143 1.00 0.00 C ATOM 761 CG2 VAL A 66 1.763 1.781 -0.147 1.00 0.00 C ATOM 0 H VAL A 66 3.077 2.308 -2.521 1.00 0.00 H new ATOM 0 HA VAL A 66 3.703 3.560 -0.150 1.00 0.00 H new ATOM 0 HB VAL A 66 3.399 0.637 -0.921 1.00 0.00 H new ATOM 0 HG11 VAL A 66 3.167 0.128 1.467 1.00 0.00 H new ATOM 0 HG12 VAL A 66 4.796 0.729 1.074 1.00 0.00 H new ATOM 0 HG13 VAL A 66 3.617 1.803 1.865 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.211 0.907 0.199 1.00 0.00 H new ATOM 0 HG22 VAL A 66 1.604 2.608 0.545 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.409 2.064 -1.138 1.00 0.00 H new ATOM 771 N TYR A 67 6.239 1.795 -1.300 1.00 0.00 N ATOM 772 CA TYR A 67 7.676 1.607 -1.130 1.00 0.00 C ATOM 773 C TYR A 67 8.432 2.914 -1.365 1.00 0.00 C ATOM 774 O TYR A 67 9.301 3.284 -0.572 1.00 0.00 O ATOM 775 CB TYR A 67 8.210 0.517 -2.062 1.00 0.00 C ATOM 776 CG TYR A 67 9.702 0.315 -1.923 1.00 0.00 C ATOM 777 CD1 TYR A 67 10.237 -0.372 -0.840 1.00 0.00 C ATOM 778 CD2 TYR A 67 10.574 0.797 -2.890 1.00 0.00 C ATOM 779 CE1 TYR A 67 11.598 -0.575 -0.726 1.00 0.00 C ATOM 780 CE2 TYR A 67 11.936 0.599 -2.781 1.00 0.00 C ATOM 781 CZ TYR A 67 12.446 -0.026 -1.641 1.00 0.00 C ATOM 782 OH TYR A 67 13.801 -0.286 -1.587 1.00 0.00 O ATOM 0 H TYR A 67 5.844 1.345 -2.126 1.00 0.00 H new ATOM 0 HA TYR A 67 7.841 1.289 -0.101 1.00 0.00 H new ATOM 0 HB2 TYR A 67 7.698 -0.421 -1.849 1.00 0.00 H new ATOM 0 HB3 TYR A 67 7.977 0.780 -3.094 1.00 0.00 H new ATOM 0 HD1 TYR A 67 9.577 -0.753 -0.075 1.00 0.00 H new ATOM 0 HD2 TYR A 67 10.181 1.335 -3.740 1.00 0.00 H new ATOM 0 HE1 TYR A 67 11.990 -1.168 0.087 1.00 0.00 H new ATOM 0 HE2 TYR A 67 12.600 0.924 -3.569 1.00 0.00 H new ATOM 0 HH TYR A 67 14.001 -0.816 -0.787 1.00 0.00 H new ATOM 792 N GLU A 68 8.110 3.602 -2.459 1.00 0.00 N ATOM 793 CA GLU A 68 8.699 4.907 -2.747 1.00 0.00 C ATOM 794 C GLU A 68 8.512 5.857 -1.571 1.00 0.00 C ATOM 795 O GLU A 68 9.457 6.491 -1.106 1.00 0.00 O ATOM 796 CB GLU A 68 8.044 5.514 -3.982 1.00 0.00 C ATOM 797 CG GLU A 68 8.126 4.637 -5.213 1.00 0.00 C ATOM 798 CD GLU A 68 7.476 5.286 -6.415 1.00 0.00 C ATOM 799 OE1 GLU A 68 7.769 6.469 -6.690 1.00 0.00 O ATOM 800 OE2 GLU A 68 6.685 4.605 -7.104 1.00 0.00 O ATOM 0 H GLU A 68 7.444 3.277 -3.160 1.00 0.00 H new ATOM 0 HA GLU A 68 9.765 4.764 -2.924 1.00 0.00 H new ATOM 0 HB2 GLU A 68 6.996 5.718 -3.762 1.00 0.00 H new ATOM 0 HB3 GLU A 68 8.517 6.472 -4.198 1.00 0.00 H new ATOM 0 HG2 GLU A 68 9.171 4.423 -5.437 1.00 0.00 H new ATOM 0 HG3 GLU A 68 7.642 3.682 -5.011 1.00 0.00 H new ATOM 807 N LEU A 69 7.284 5.922 -1.089 1.00 0.00 N ATOM 808 CA LEU A 69 6.901 6.815 -0.005 1.00 0.00 C ATOM 809 C LEU A 69 7.731 6.571 1.255 1.00 0.00 C ATOM 810 O LEU A 69 7.979 7.499 2.028 1.00 0.00 O ATOM 811 CB LEU A 69 5.417 6.633 0.275 1.00 0.00 C ATOM 812 CG LEU A 69 4.504 7.092 -0.862 1.00 0.00 C ATOM 813 CD1 LEU A 69 3.093 6.563 -0.673 1.00 0.00 C ATOM 814 CD2 LEU A 69 4.504 8.608 -0.969 1.00 0.00 C ATOM 0 H LEU A 69 6.515 5.352 -1.441 1.00 0.00 H new ATOM 0 HA LEU A 69 7.096 7.843 -0.309 1.00 0.00 H new ATOM 0 HB2 LEU A 69 5.224 5.580 0.479 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.159 7.185 1.179 1.00 0.00 H new ATOM 0 HG LEU A 69 4.892 6.684 -1.795 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.464 6.904 -1.495 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.112 5.473 -0.658 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.689 6.932 0.270 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.848 8.915 -1.784 1.00 0.00 H new ATOM 0 HD22 LEU A 69 4.147 9.039 -0.034 1.00 0.00 H new ATOM 0 HD23 LEU A 69 5.517 8.959 -1.166 1.00 0.00 H new ATOM 826 N MET A 70 8.174 5.334 1.449 1.00 0.00 N ATOM 827 CA MET A 70 9.053 5.007 2.570 1.00 0.00 C ATOM 828 C MET A 70 10.333 5.835 2.500 1.00 0.00 C ATOM 829 O MET A 70 10.706 6.500 3.466 1.00 0.00 O ATOM 830 CB MET A 70 9.420 3.521 2.577 1.00 0.00 C ATOM 831 CG MET A 70 8.242 2.585 2.780 1.00 0.00 C ATOM 832 SD MET A 70 8.745 0.856 2.837 1.00 0.00 S ATOM 833 CE MET A 70 7.145 0.064 2.950 1.00 0.00 C ATOM 0 H MET A 70 7.941 4.543 0.849 1.00 0.00 H new ATOM 0 HA MET A 70 8.512 5.239 3.487 1.00 0.00 H new ATOM 0 HB2 MET A 70 9.906 3.275 1.633 1.00 0.00 H new ATOM 0 HB3 MET A 70 10.150 3.343 3.367 1.00 0.00 H new ATOM 0 HG2 MET A 70 7.731 2.843 3.708 1.00 0.00 H new ATOM 0 HG3 MET A 70 7.525 2.726 1.971 1.00 0.00 H new ATOM 0 HE1 MET A 70 7.138 -0.833 2.330 1.00 0.00 H new ATOM 0 HE2 MET A 70 6.947 -0.210 3.986 1.00 0.00 H new ATOM 0 HE3 MET A 70 6.374 0.751 2.602 1.00 0.00 H new ATOM 843 N GLN A 71 10.983 5.824 1.338 1.00 0.00 N ATOM 844 CA GLN A 71 12.234 6.552 1.158 1.00 0.00 C ATOM 845 C GLN A 71 11.968 8.034 0.889 1.00 0.00 C ATOM 846 O GLN A 71 12.894 8.848 0.865 1.00 0.00 O ATOM 847 CB GLN A 71 13.082 5.915 0.042 1.00 0.00 C ATOM 848 CG GLN A 71 12.345 5.678 -1.271 1.00 0.00 C ATOM 849 CD GLN A 71 12.626 6.740 -2.318 1.00 0.00 C ATOM 850 OE1 GLN A 71 13.573 6.624 -3.097 1.00 0.00 O ATOM 851 NE2 GLN A 71 11.789 7.761 -2.367 1.00 0.00 N ATOM 0 H GLN A 71 10.664 5.320 0.510 1.00 0.00 H new ATOM 0 HA GLN A 71 12.806 6.485 2.083 1.00 0.00 H new ATOM 0 HB2 GLN A 71 13.941 6.557 -0.152 1.00 0.00 H new ATOM 0 HB3 GLN A 71 13.470 4.962 0.401 1.00 0.00 H new ATOM 0 HG2 GLN A 71 12.628 4.703 -1.668 1.00 0.00 H new ATOM 0 HG3 GLN A 71 11.273 5.644 -1.077 1.00 0.00 H new ATOM 0 HE21 GLN A 71 11.017 7.820 -1.703 1.00 0.00 H new ATOM 0 HE22 GLN A 71 11.915 8.490 -3.069 1.00 0.00 H new ATOM 860 N GLU A 72 10.700 8.382 0.694 1.00 0.00 N ATOM 861 CA GLU A 72 10.306 9.780 0.574 1.00 0.00 C ATOM 862 C GLU A 72 10.185 10.398 1.959 1.00 0.00 C ATOM 863 O GLU A 72 10.239 11.614 2.121 1.00 0.00 O ATOM 864 CB GLU A 72 8.979 9.923 -0.169 1.00 0.00 C ATOM 865 CG GLU A 72 9.031 9.429 -1.606 1.00 0.00 C ATOM 866 CD GLU A 72 7.824 9.839 -2.425 1.00 0.00 C ATOM 867 OE1 GLU A 72 7.483 11.039 -2.430 1.00 0.00 O ATOM 868 OE2 GLU A 72 7.189 8.952 -3.033 1.00 0.00 O ATOM 0 H GLU A 72 9.930 7.717 0.616 1.00 0.00 H new ATOM 0 HA GLU A 72 11.073 10.300 0.001 1.00 0.00 H new ATOM 0 HB2 GLU A 72 8.209 9.370 0.369 1.00 0.00 H new ATOM 0 HB3 GLU A 72 8.680 10.971 -0.164 1.00 0.00 H new ATOM 0 HG2 GLU A 72 9.933 9.814 -2.083 1.00 0.00 H new ATOM 0 HG3 GLU A 72 9.109 8.342 -1.606 1.00 0.00 H new ATOM 875 N GLY A 73 10.001 9.541 2.954 1.00 0.00 N ATOM 876 CA GLY A 73 9.959 10.000 4.322 1.00 0.00 C ATOM 877 C GLY A 73 8.549 10.156 4.833 1.00 0.00 C ATOM 878 O GLY A 73 8.311 10.825 5.838 1.00 0.00 O ATOM 0 H GLY A 73 9.880 8.535 2.835 1.00 0.00 H new ATOM 0 HA2 GLY A 73 10.496 9.294 4.956 1.00 0.00 H new ATOM 0 HA3 GLY A 73 10.478 10.956 4.398 1.00 0.00 H new ATOM 882 N LYS A 74 7.610 9.542 4.134 1.00 0.00 N ATOM 883 CA LYS A 74 6.219 9.577 4.541 1.00 0.00 C ATOM 884 C LYS A 74 6.028 8.685 5.756 1.00 0.00 C ATOM 885 O LYS A 74 6.720 7.682 5.928 1.00 0.00 O ATOM 886 CB LYS A 74 5.311 9.109 3.399 1.00 0.00 C ATOM 887 CG LYS A 74 5.687 9.670 2.036 1.00 0.00 C ATOM 888 CD LYS A 74 5.289 11.131 1.908 1.00 0.00 C ATOM 889 CE LYS A 74 6.392 11.958 1.275 1.00 0.00 C ATOM 890 NZ LYS A 74 6.966 12.933 2.245 1.00 0.00 N ATOM 0 H LYS A 74 7.788 9.013 3.280 1.00 0.00 H new ATOM 0 HA LYS A 74 5.949 10.602 4.794 1.00 0.00 H new ATOM 0 HB2 LYS A 74 5.337 8.020 3.351 1.00 0.00 H new ATOM 0 HB3 LYS A 74 4.284 9.394 3.626 1.00 0.00 H new ATOM 0 HG2 LYS A 74 6.762 9.570 1.883 1.00 0.00 H new ATOM 0 HG3 LYS A 74 5.198 9.088 1.254 1.00 0.00 H new ATOM 0 HD2 LYS A 74 4.383 11.210 1.307 1.00 0.00 H new ATOM 0 HD3 LYS A 74 5.053 11.532 2.894 1.00 0.00 H new ATOM 0 HE2 LYS A 74 7.180 11.299 0.911 1.00 0.00 H new ATOM 0 HE3 LYS A 74 5.998 12.492 0.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 7.717 13.483 1.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 6.218 13.577 2.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 7.364 12.421 3.058 1.00 0.00 H new ATOM 904 N SER A 75 5.098 9.078 6.589 1.00 0.00 N ATOM 905 CA SER A 75 4.762 8.342 7.792 1.00 0.00 C ATOM 906 C SER A 75 3.699 7.312 7.458 1.00 0.00 C ATOM 907 O SER A 75 3.166 7.327 6.358 1.00 0.00 O ATOM 908 CB SER A 75 4.261 9.311 8.857 1.00 0.00 C ATOM 909 OG SER A 75 5.194 10.358 9.062 1.00 0.00 O ATOM 0 H SER A 75 4.545 9.925 6.455 1.00 0.00 H new ATOM 0 HA SER A 75 5.642 7.829 8.180 1.00 0.00 H new ATOM 0 HB2 SER A 75 3.301 9.728 8.553 1.00 0.00 H new ATOM 0 HB3 SER A 75 4.095 8.777 9.793 1.00 0.00 H new ATOM 0 HG SER A 75 4.854 10.970 9.748 1.00 0.00 H new ATOM 915 N LYS A 76 3.375 6.437 8.395 1.00 0.00 N ATOM 916 CA LYS A 76 2.429 5.359 8.125 1.00 0.00 C ATOM 917 C LYS A 76 1.104 5.904 7.595 1.00 0.00 C ATOM 918 O LYS A 76 0.666 5.534 6.506 1.00 0.00 O ATOM 919 CB LYS A 76 2.211 4.512 9.375 1.00 0.00 C ATOM 920 CG LYS A 76 3.178 3.334 9.504 1.00 0.00 C ATOM 921 CD LYS A 76 4.638 3.763 9.642 1.00 0.00 C ATOM 922 CE LYS A 76 5.310 3.962 8.292 1.00 0.00 C ATOM 923 NZ LYS A 76 6.739 4.358 8.432 1.00 0.00 N ATOM 0 H LYS A 76 3.748 6.448 9.344 1.00 0.00 H new ATOM 0 HA LYS A 76 2.856 4.722 7.350 1.00 0.00 H new ATOM 0 HB2 LYS A 76 2.310 5.148 10.254 1.00 0.00 H new ATOM 0 HB3 LYS A 76 1.190 4.132 9.370 1.00 0.00 H new ATOM 0 HG2 LYS A 76 2.898 2.737 10.372 1.00 0.00 H new ATOM 0 HG3 LYS A 76 3.076 2.692 8.629 1.00 0.00 H new ATOM 0 HD2 LYS A 76 4.690 4.691 10.212 1.00 0.00 H new ATOM 0 HD3 LYS A 76 5.184 3.010 10.210 1.00 0.00 H new ATOM 0 HE2 LYS A 76 5.244 3.039 7.715 1.00 0.00 H new ATOM 0 HE3 LYS A 76 4.775 4.728 7.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 7.251 4.127 7.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 6.800 5.381 8.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 7.166 3.843 9.228 1.00 0.00 H new ATOM 937 N LYS A 77 0.488 6.804 8.345 1.00 0.00 N ATOM 938 CA LYS A 77 -0.767 7.420 7.912 1.00 0.00 C ATOM 939 C LYS A 77 -0.511 8.334 6.722 1.00 0.00 C ATOM 940 O LYS A 77 -1.346 8.474 5.834 1.00 0.00 O ATOM 941 CB LYS A 77 -1.405 8.218 9.050 1.00 0.00 C ATOM 942 CG LYS A 77 -1.393 7.493 10.383 1.00 0.00 C ATOM 943 CD LYS A 77 -2.015 6.107 10.283 1.00 0.00 C ATOM 944 CE LYS A 77 -2.062 5.429 11.642 1.00 0.00 C ATOM 945 NZ LYS A 77 -2.325 3.971 11.538 1.00 0.00 N ATOM 0 H LYS A 77 0.829 7.126 9.251 1.00 0.00 H new ATOM 0 HA LYS A 77 -1.455 6.627 7.620 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -0.878 9.166 9.157 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -2.435 8.454 8.784 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -0.366 7.405 10.739 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -1.937 8.082 11.121 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -3.024 6.186 9.878 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -1.439 5.496 9.588 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -1.115 5.589 12.158 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -2.839 5.893 12.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -2.790 3.639 12.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -2.944 3.787 10.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -1.426 3.464 11.411 1.00 0.00 H new ATOM 959 N GLU A 78 0.665 8.939 6.716 1.00 0.00 N ATOM 960 CA GLU A 78 1.052 9.877 5.670 1.00 0.00 C ATOM 961 C GLU A 78 1.214 9.181 4.309 1.00 0.00 C ATOM 962 O GLU A 78 0.908 9.771 3.277 1.00 0.00 O ATOM 963 CB GLU A 78 2.323 10.632 6.103 1.00 0.00 C ATOM 964 CG GLU A 78 3.267 11.020 4.986 1.00 0.00 C ATOM 965 CD GLU A 78 3.906 12.375 5.195 1.00 0.00 C ATOM 966 OE1 GLU A 78 4.561 12.580 6.232 1.00 0.00 O ATOM 967 OE2 GLU A 78 3.724 13.253 4.328 1.00 0.00 O ATOM 0 H GLU A 78 1.377 8.796 7.432 1.00 0.00 H new ATOM 0 HA GLU A 78 0.253 10.606 5.534 1.00 0.00 H new ATOM 0 HB2 GLU A 78 2.024 11.537 6.632 1.00 0.00 H new ATOM 0 HB3 GLU A 78 2.867 10.012 6.815 1.00 0.00 H new ATOM 0 HG2 GLU A 78 4.049 10.265 4.900 1.00 0.00 H new ATOM 0 HG3 GLU A 78 2.722 11.023 4.042 1.00 0.00 H new ATOM 974 N ILE A 79 1.667 7.925 4.304 1.00 0.00 N ATOM 975 CA ILE A 79 1.754 7.156 3.062 1.00 0.00 C ATOM 976 C ILE A 79 0.364 6.920 2.479 1.00 0.00 C ATOM 977 O ILE A 79 0.111 7.227 1.312 1.00 0.00 O ATOM 978 CB ILE A 79 2.465 5.784 3.253 1.00 0.00 C ATOM 979 CG1 ILE A 79 3.976 5.922 3.074 1.00 0.00 C ATOM 980 CG2 ILE A 79 1.934 4.752 2.267 1.00 0.00 C ATOM 981 CD1 ILE A 79 4.776 5.761 4.343 1.00 0.00 C ATOM 0 H ILE A 79 1.976 7.424 5.137 1.00 0.00 H new ATOM 0 HA ILE A 79 2.354 7.752 2.374 1.00 0.00 H new ATOM 0 HB ILE A 79 2.255 5.448 4.268 1.00 0.00 H new ATOM 0 HG12 ILE A 79 4.312 5.179 2.351 1.00 0.00 H new ATOM 0 HG13 ILE A 79 4.190 6.902 2.647 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.447 3.803 2.422 1.00 0.00 H new ATOM 0 HG22 ILE A 79 0.864 4.616 2.424 1.00 0.00 H new ATOM 0 HG23 ILE A 79 2.110 5.098 1.248 1.00 0.00 H new ATOM 0 HD11 ILE A 79 5.837 5.874 4.121 1.00 0.00 H new ATOM 0 HD12 ILE A 79 4.473 6.521 5.063 1.00 0.00 H new ATOM 0 HD13 ILE A 79 4.597 4.771 4.763 1.00 0.00 H new ATOM 993 N VAL A 80 -0.538 6.391 3.298 1.00 0.00 N ATOM 994 CA VAL A 80 -1.873 6.056 2.828 1.00 0.00 C ATOM 995 C VAL A 80 -2.669 7.320 2.502 1.00 0.00 C ATOM 996 O VAL A 80 -3.411 7.360 1.518 1.00 0.00 O ATOM 997 CB VAL A 80 -2.634 5.160 3.839 1.00 0.00 C ATOM 998 CG1 VAL A 80 -2.494 5.681 5.257 1.00 0.00 C ATOM 999 CG2 VAL A 80 -4.095 5.060 3.462 1.00 0.00 C ATOM 0 H VAL A 80 -0.369 6.187 4.283 1.00 0.00 H new ATOM 0 HA VAL A 80 -1.760 5.479 1.910 1.00 0.00 H new ATOM 0 HB VAL A 80 -2.189 4.166 3.800 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -3.040 5.029 5.940 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -1.440 5.698 5.536 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -2.901 6.690 5.316 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -4.614 4.427 4.182 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -4.541 6.055 3.465 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -4.185 4.626 2.466 1.00 0.00 H new ATOM 1009 N ASP A 81 -2.488 8.361 3.306 1.00 0.00 N ATOM 1010 CA ASP A 81 -3.132 9.642 3.043 1.00 0.00 C ATOM 1011 C ASP A 81 -2.614 10.225 1.737 1.00 0.00 C ATOM 1012 O ASP A 81 -3.365 10.800 0.956 1.00 0.00 O ATOM 1013 CB ASP A 81 -2.881 10.623 4.186 1.00 0.00 C ATOM 1014 CG ASP A 81 -3.652 11.914 4.011 1.00 0.00 C ATOM 1015 OD1 ASP A 81 -4.901 11.873 4.042 1.00 0.00 O ATOM 1016 OD2 ASP A 81 -3.018 12.975 3.844 1.00 0.00 O ATOM 0 H ASP A 81 -1.903 8.344 4.142 1.00 0.00 H new ATOM 0 HA ASP A 81 -4.206 9.475 2.963 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -3.164 10.158 5.130 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -1.815 10.844 4.246 1.00 0.00 H new ATOM 1021 N TYR A 82 -1.324 10.038 1.499 1.00 0.00 N ATOM 1022 CA TYR A 82 -0.691 10.477 0.265 1.00 0.00 C ATOM 1023 C TYR A 82 -1.344 9.791 -0.920 1.00 0.00 C ATOM 1024 O TYR A 82 -1.647 10.424 -1.935 1.00 0.00 O ATOM 1025 CB TYR A 82 0.801 10.146 0.287 1.00 0.00 C ATOM 1026 CG TYR A 82 1.606 10.936 -0.718 1.00 0.00 C ATOM 1027 CD1 TYR A 82 1.551 10.646 -2.073 1.00 0.00 C ATOM 1028 CD2 TYR A 82 2.418 11.976 -0.303 1.00 0.00 C ATOM 1029 CE1 TYR A 82 2.285 11.377 -2.987 1.00 0.00 C ATOM 1030 CE2 TYR A 82 3.154 12.714 -1.207 1.00 0.00 C ATOM 1031 CZ TYR A 82 3.086 12.371 -2.582 1.00 0.00 C ATOM 1032 OH TYR A 82 3.820 13.146 -3.454 1.00 0.00 O ATOM 0 H TYR A 82 -0.689 9.580 2.153 1.00 0.00 H new ATOM 0 HA TYR A 82 -0.814 11.556 0.174 1.00 0.00 H new ATOM 0 HB2 TYR A 82 1.193 10.337 1.286 1.00 0.00 H new ATOM 0 HB3 TYR A 82 0.932 9.082 0.091 1.00 0.00 H new ATOM 0 HD1 TYR A 82 0.925 9.837 -2.419 1.00 0.00 H new ATOM 0 HD2 TYR A 82 2.477 12.215 0.749 1.00 0.00 H new ATOM 0 HE1 TYR A 82 2.212 11.144 -4.039 1.00 0.00 H new ATOM 0 HE2 TYR A 82 3.770 13.537 -0.874 1.00 0.00 H new ATOM 0 HH TYR A 82 4.333 13.811 -2.949 1.00 0.00 H new ATOM 1042 N MET A 83 -1.567 8.493 -0.776 1.00 0.00 N ATOM 1043 CA MET A 83 -2.154 7.699 -1.837 1.00 0.00 C ATOM 1044 C MET A 83 -3.571 8.159 -2.153 1.00 0.00 C ATOM 1045 O MET A 83 -3.915 8.316 -3.316 1.00 0.00 O ATOM 1046 CB MET A 83 -2.137 6.213 -1.477 1.00 0.00 C ATOM 1047 CG MET A 83 -0.735 5.638 -1.359 1.00 0.00 C ATOM 1048 SD MET A 83 -0.528 4.110 -2.290 1.00 0.00 S ATOM 1049 CE MET A 83 -0.965 4.660 -3.936 1.00 0.00 C ATOM 0 H MET A 83 -1.348 7.968 0.071 1.00 0.00 H new ATOM 0 HA MET A 83 -1.548 7.843 -2.732 1.00 0.00 H new ATOM 0 HB2 MET A 83 -2.662 6.069 -0.532 1.00 0.00 H new ATOM 0 HB3 MET A 83 -2.688 5.656 -2.235 1.00 0.00 H new ATOM 0 HG2 MET A 83 -0.014 6.375 -1.713 1.00 0.00 H new ATOM 0 HG3 MET A 83 -0.511 5.452 -0.309 1.00 0.00 H new ATOM 0 HE1 MET A 83 -0.261 4.244 -4.657 1.00 0.00 H new ATOM 0 HE2 MET A 83 -1.973 4.322 -4.177 1.00 0.00 H new ATOM 0 HE3 MET A 83 -0.927 5.749 -3.978 1.00 0.00 H new ATOM 1059 N VAL A 84 -4.391 8.389 -1.131 1.00 0.00 N ATOM 1060 CA VAL A 84 -5.764 8.846 -1.368 1.00 0.00 C ATOM 1061 C VAL A 84 -5.774 10.286 -1.872 1.00 0.00 C ATOM 1062 O VAL A 84 -6.670 10.694 -2.611 1.00 0.00 O ATOM 1063 CB VAL A 84 -6.676 8.731 -0.117 1.00 0.00 C ATOM 1064 CG1 VAL A 84 -6.580 7.348 0.498 1.00 0.00 C ATOM 1065 CG2 VAL A 84 -6.373 9.816 0.910 1.00 0.00 C ATOM 0 H VAL A 84 -4.140 8.271 -0.150 1.00 0.00 H new ATOM 0 HA VAL A 84 -6.172 8.180 -2.128 1.00 0.00 H new ATOM 0 HB VAL A 84 -7.703 8.883 -0.448 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -7.228 7.293 1.373 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -6.893 6.602 -0.233 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -5.550 7.153 0.797 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -7.034 9.699 1.769 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -5.336 9.730 1.235 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -6.532 10.796 0.461 1.00 0.00 H new ATOM 1075 N ALA A 85 -4.773 11.050 -1.462 1.00 0.00 N ATOM 1076 CA ALA A 85 -4.663 12.441 -1.857 1.00 0.00 C ATOM 1077 C ALA A 85 -4.368 12.575 -3.354 1.00 0.00 C ATOM 1078 O ALA A 85 -4.923 13.441 -4.032 1.00 0.00 O ATOM 1079 CB ALA A 85 -3.586 13.133 -1.034 1.00 0.00 C ATOM 0 H ALA A 85 -4.022 10.725 -0.852 1.00 0.00 H new ATOM 0 HA ALA A 85 -5.621 12.925 -1.666 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -3.511 14.177 -1.338 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -3.846 13.080 0.023 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -2.629 12.638 -1.197 1.00 0.00 H new ATOM 1085 N ARG A 86 -3.494 11.718 -3.867 1.00 0.00 N ATOM 1086 CA ARG A 86 -3.114 11.763 -5.279 1.00 0.00 C ATOM 1087 C ARG A 86 -3.898 10.747 -6.109 1.00 0.00 C ATOM 1088 O ARG A 86 -4.544 11.097 -7.099 1.00 0.00 O ATOM 1089 CB ARG A 86 -1.613 11.505 -5.439 1.00 0.00 C ATOM 1090 CG ARG A 86 -0.745 12.737 -5.254 1.00 0.00 C ATOM 1091 CD ARG A 86 -0.700 13.175 -3.803 1.00 0.00 C ATOM 1092 NE ARG A 86 0.130 14.364 -3.624 1.00 0.00 N ATOM 1093 CZ ARG A 86 0.153 15.113 -2.522 1.00 0.00 C ATOM 1094 NH1 ARG A 86 -0.616 14.810 -1.484 1.00 0.00 N ATOM 1095 NH2 ARG A 86 0.952 16.170 -2.456 1.00 0.00 N ATOM 0 H ARG A 86 -3.034 10.983 -3.330 1.00 0.00 H new ATOM 0 HA ARG A 86 -3.354 12.761 -5.646 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -1.307 10.748 -4.717 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -1.431 11.092 -6.431 1.00 0.00 H new ATOM 0 HG2 ARG A 86 0.266 12.526 -5.603 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -1.131 13.550 -5.868 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -1.712 13.381 -3.453 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -0.310 12.363 -3.189 1.00 0.00 H new ATOM 0 HE ARG A 86 0.735 14.640 -4.397 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -1.232 13.998 -1.525 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -0.591 15.389 -0.645 1.00 0.00 H new ATOM 0 HH21 ARG A 86 1.548 16.409 -3.248 1.00 0.00 H new ATOM 0 HH22 ARG A 86 0.970 16.744 -1.613 1.00 0.00 H new ATOM 1109 N TYR A 87 -3.854 9.494 -5.686 1.00 0.00 N ATOM 1110 CA TYR A 87 -4.471 8.400 -6.426 1.00 0.00 C ATOM 1111 C TYR A 87 -5.881 8.119 -5.907 1.00 0.00 C ATOM 1112 O TYR A 87 -6.394 7.002 -6.036 1.00 0.00 O ATOM 1113 CB TYR A 87 -3.612 7.134 -6.320 1.00 0.00 C ATOM 1114 CG TYR A 87 -2.257 7.232 -6.994 1.00 0.00 C ATOM 1115 CD1 TYR A 87 -2.151 7.161 -8.376 1.00 0.00 C ATOM 1116 CD2 TYR A 87 -1.086 7.379 -6.252 1.00 0.00 C ATOM 1117 CE1 TYR A 87 -0.922 7.235 -9.001 1.00 0.00 C ATOM 1118 CE2 TYR A 87 0.151 7.453 -6.873 1.00 0.00 C ATOM 1119 CZ TYR A 87 0.224 7.381 -8.249 1.00 0.00 C ATOM 1120 OH TYR A 87 1.445 7.449 -8.879 1.00 0.00 O ATOM 0 H TYR A 87 -3.392 9.205 -4.824 1.00 0.00 H new ATOM 0 HA TYR A 87 -4.541 8.696 -7.473 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -3.463 6.899 -5.266 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -4.161 6.300 -6.758 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -3.044 7.046 -8.972 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -1.144 7.436 -5.175 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -0.859 7.179 -10.078 1.00 0.00 H new ATOM 0 HE2 TYR A 87 1.050 7.566 -6.285 1.00 0.00 H new ATOM 0 HH TYR A 87 2.153 7.553 -8.210 1.00 0.00 H new ATOM 1130 N GLY A 88 -6.502 9.139 -5.319 1.00 0.00 N ATOM 1131 CA GLY A 88 -7.840 8.994 -4.775 1.00 0.00 C ATOM 1132 C GLY A 88 -8.882 8.785 -5.849 1.00 0.00 C ATOM 1133 O GLY A 88 -9.480 9.738 -6.355 1.00 0.00 O ATOM 0 H GLY A 88 -6.098 10.069 -5.210 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -7.859 8.150 -4.086 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -8.092 9.883 -4.197 1.00 0.00 H new ATOM 1137 N ASN A 89 -9.074 7.525 -6.181 1.00 0.00 N ATOM 1138 CA ASN A 89 -9.989 7.085 -7.222 1.00 0.00 C ATOM 1139 C ASN A 89 -9.812 5.594 -7.369 1.00 0.00 C ATOM 1140 O ASN A 89 -10.766 4.831 -7.503 1.00 0.00 O ATOM 1141 CB ASN A 89 -9.700 7.784 -8.557 1.00 0.00 C ATOM 1142 CG ASN A 89 -10.608 7.312 -9.681 1.00 0.00 C ATOM 1143 OD1 ASN A 89 -11.764 6.950 -9.457 1.00 0.00 O ATOM 1144 ND2 ASN A 89 -10.086 7.310 -10.899 1.00 0.00 N ATOM 0 H ASN A 89 -8.586 6.755 -5.723 1.00 0.00 H new ATOM 0 HA ASN A 89 -11.013 7.337 -6.946 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -9.817 8.860 -8.430 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -8.662 7.607 -8.837 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -10.646 7.001 -11.693 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -9.124 7.618 -11.042 1.00 0.00 H new ATOM 1151 N PHE A 90 -8.557 5.200 -7.301 1.00 0.00 N ATOM 1152 CA PHE A 90 -8.178 3.799 -7.336 1.00 0.00 C ATOM 1153 C PHE A 90 -7.808 3.336 -5.933 1.00 0.00 C ATOM 1154 O PHE A 90 -7.688 2.144 -5.669 1.00 0.00 O ATOM 1155 CB PHE A 90 -6.996 3.584 -8.285 1.00 0.00 C ATOM 1156 CG PHE A 90 -7.230 4.107 -9.673 1.00 0.00 C ATOM 1157 CD1 PHE A 90 -8.008 3.399 -10.574 1.00 0.00 C ATOM 1158 CD2 PHE A 90 -6.667 5.307 -10.075 1.00 0.00 C ATOM 1159 CE1 PHE A 90 -8.222 3.881 -11.852 1.00 0.00 C ATOM 1160 CE2 PHE A 90 -6.877 5.794 -11.350 1.00 0.00 C ATOM 1161 CZ PHE A 90 -7.655 5.080 -12.241 1.00 0.00 C ATOM 0 H PHE A 90 -7.768 5.842 -7.220 1.00 0.00 H new ATOM 0 HA PHE A 90 -9.023 3.215 -7.701 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -6.114 4.070 -7.868 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -6.776 2.518 -8.341 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -8.452 2.461 -10.275 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -6.057 5.868 -9.383 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -8.832 3.321 -12.546 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -6.434 6.732 -11.650 1.00 0.00 H new ATOM 0 HZ PHE A 90 -7.820 5.458 -13.239 1.00 0.00 H new ATOM 1171 N VAL A 91 -7.624 4.298 -5.035 1.00 0.00 N ATOM 1172 CA VAL A 91 -7.258 4.002 -3.659 1.00 0.00 C ATOM 1173 C VAL A 91 -8.242 4.678 -2.707 1.00 0.00 C ATOM 1174 O VAL A 91 -8.911 5.643 -3.087 1.00 0.00 O ATOM 1175 CB VAL A 91 -5.813 4.476 -3.341 1.00 0.00 C ATOM 1176 CG1 VAL A 91 -4.979 4.602 -4.605 1.00 0.00 C ATOM 1177 CG2 VAL A 91 -5.816 5.792 -2.593 1.00 0.00 C ATOM 0 H VAL A 91 -7.723 5.292 -5.239 1.00 0.00 H new ATOM 0 HA VAL A 91 -7.297 2.921 -3.525 1.00 0.00 H new ATOM 0 HB VAL A 91 -5.363 3.715 -2.703 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -3.974 4.936 -4.346 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -4.923 3.634 -5.102 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -5.441 5.327 -5.275 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.790 6.095 -2.386 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -6.304 6.554 -3.200 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -6.356 5.675 -1.654 1.00 0.00 H new ATOM 1187 N THR A 92 -8.342 4.166 -1.487 1.00 0.00 N ATOM 1188 CA THR A 92 -9.194 4.768 -0.468 1.00 0.00 C ATOM 1189 C THR A 92 -8.707 4.389 0.932 1.00 0.00 C ATOM 1190 O THR A 92 -8.291 3.256 1.159 1.00 0.00 O ATOM 1191 CB THR A 92 -10.667 4.323 -0.650 1.00 0.00 C ATOM 1192 OG1 THR A 92 -11.131 4.679 -1.961 1.00 0.00 O ATOM 1193 CG2 THR A 92 -11.567 4.960 0.398 1.00 0.00 C ATOM 0 H THR A 92 -7.842 3.332 -1.178 1.00 0.00 H new ATOM 0 HA THR A 92 -9.139 5.851 -0.581 1.00 0.00 H new ATOM 0 HB THR A 92 -10.708 3.241 -0.529 1.00 0.00 H new ATOM 0 HG1 THR A 92 -10.549 5.373 -2.337 1.00 0.00 H new ATOM 0 HG21 THR A 92 -12.594 4.629 0.245 1.00 0.00 H new ATOM 0 HG22 THR A 92 -11.234 4.663 1.393 1.00 0.00 H new ATOM 0 HG23 THR A 92 -11.518 6.045 0.308 1.00 0.00 H new ATOM 1201 N TYR A 93 -8.731 5.341 1.858 1.00 0.00 N ATOM 1202 CA TYR A 93 -8.327 5.077 3.233 1.00 0.00 C ATOM 1203 C TYR A 93 -9.533 4.629 4.052 1.00 0.00 C ATOM 1204 O TYR A 93 -10.426 5.422 4.357 1.00 0.00 O ATOM 1205 CB TYR A 93 -7.661 6.315 3.861 1.00 0.00 C ATOM 1206 CG TYR A 93 -7.475 6.205 5.361 1.00 0.00 C ATOM 1207 CD1 TYR A 93 -6.453 5.431 5.896 1.00 0.00 C ATOM 1208 CD2 TYR A 93 -8.325 6.865 6.239 1.00 0.00 C ATOM 1209 CE1 TYR A 93 -6.288 5.312 7.261 1.00 0.00 C ATOM 1210 CE2 TYR A 93 -8.164 6.753 7.606 1.00 0.00 C ATOM 1211 CZ TYR A 93 -7.145 5.978 8.112 1.00 0.00 C ATOM 1212 OH TYR A 93 -6.995 5.850 9.474 1.00 0.00 O ATOM 0 H TYR A 93 -9.026 6.301 1.681 1.00 0.00 H new ATOM 0 HA TYR A 93 -7.589 4.274 3.231 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -6.689 6.472 3.393 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -8.266 7.194 3.641 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -5.776 4.914 5.232 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -9.125 7.476 5.846 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -5.492 4.701 7.661 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -8.835 7.271 8.275 1.00 0.00 H new ATOM 0 HH TYR A 93 -7.678 6.384 9.930 1.00 0.00 H new ATOM 1222 N ASP A 94 -9.546 3.352 4.397 1.00 0.00 N ATOM 1223 CA ASP A 94 -10.673 2.737 5.086 1.00 0.00 C ATOM 1224 C ASP A 94 -10.209 1.485 5.822 1.00 0.00 C ATOM 1225 O ASP A 94 -9.134 0.956 5.526 1.00 0.00 O ATOM 1226 CB ASP A 94 -11.776 2.358 4.086 1.00 0.00 C ATOM 1227 CG ASP A 94 -12.969 3.291 4.119 1.00 0.00 C ATOM 1228 OD1 ASP A 94 -13.856 3.104 4.979 1.00 0.00 O ATOM 1229 OD2 ASP A 94 -13.042 4.200 3.272 1.00 0.00 O ATOM 0 H ASP A 94 -8.776 2.710 4.208 1.00 0.00 H new ATOM 0 HA ASP A 94 -11.074 3.456 5.800 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -11.357 2.353 3.080 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -12.113 1.343 4.296 1.00 0.00 H new ATOM 1234 N PRO A 95 -10.990 1.015 6.815 1.00 0.00 N ATOM 1235 CA PRO A 95 -10.754 -0.278 7.468 1.00 0.00 C ATOM 1236 C PRO A 95 -10.693 -1.406 6.435 1.00 0.00 C ATOM 1237 O PRO A 95 -11.223 -1.269 5.330 1.00 0.00 O ATOM 1238 CB PRO A 95 -11.974 -0.450 8.390 1.00 0.00 C ATOM 1239 CG PRO A 95 -12.965 0.570 7.941 1.00 0.00 C ATOM 1240 CD PRO A 95 -12.160 1.702 7.381 1.00 0.00 C ATOM 0 HA PRO A 95 -9.807 -0.312 8.007 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -12.385 -1.456 8.312 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -11.701 -0.297 9.434 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -13.637 0.158 7.188 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -13.585 0.905 8.772 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -12.712 2.255 6.621 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -11.876 2.418 8.152 1.00 0.00 H new ATOM 1248 N PRO A 96 -10.074 -2.546 6.767 1.00 0.00 N ATOM 1249 CA PRO A 96 -9.839 -3.602 5.803 1.00 0.00 C ATOM 1250 C PRO A 96 -11.095 -4.425 5.568 1.00 0.00 C ATOM 1251 O PRO A 96 -12.155 -4.135 6.119 1.00 0.00 O ATOM 1252 CB PRO A 96 -8.735 -4.455 6.449 1.00 0.00 C ATOM 1253 CG PRO A 96 -8.474 -3.869 7.801 1.00 0.00 C ATOM 1254 CD PRO A 96 -9.605 -2.934 8.100 1.00 0.00 C ATOM 0 HA PRO A 96 -9.555 -3.216 4.824 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -9.049 -5.496 6.532 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -7.831 -4.443 5.841 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -8.412 -4.653 8.556 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -7.522 -3.339 7.814 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -10.390 -3.422 8.678 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -9.273 -2.071 8.678 1.00 0.00 H new ATOM 1262 N LEU A 97 -10.967 -5.457 4.752 1.00 0.00 N ATOM 1263 CA LEU A 97 -12.088 -6.332 4.433 1.00 0.00 C ATOM 1264 C LEU A 97 -12.231 -7.397 5.505 1.00 0.00 C ATOM 1265 O LEU A 97 -12.843 -8.444 5.292 1.00 0.00 O ATOM 1266 CB LEU A 97 -11.877 -6.992 3.075 1.00 0.00 C ATOM 1267 CG LEU A 97 -11.968 -6.063 1.850 1.00 0.00 C ATOM 1268 CD1 LEU A 97 -13.267 -5.272 1.876 1.00 0.00 C ATOM 1269 CD2 LEU A 97 -10.771 -5.125 1.771 1.00 0.00 C ATOM 0 H LEU A 97 -10.092 -5.713 4.294 1.00 0.00 H new ATOM 0 HA LEU A 97 -12.999 -5.734 4.394 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -10.896 -7.468 3.073 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -12.616 -7.785 2.960 1.00 0.00 H new ATOM 0 HG LEU A 97 -11.958 -6.688 0.957 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -13.314 -4.621 1.003 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -14.112 -5.960 1.862 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -13.307 -4.667 2.782 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -10.868 -4.484 0.895 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -10.732 -4.509 2.669 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -9.855 -5.710 1.693 1.00 0.00 H new ATOM 1281 N THR A 98 -11.627 -7.105 6.641 1.00 0.00 N ATOM 1282 CA THR A 98 -11.670 -7.961 7.810 1.00 0.00 C ATOM 1283 C THR A 98 -13.116 -8.331 8.167 1.00 0.00 C ATOM 1284 O THR A 98 -14.020 -7.495 8.074 1.00 0.00 O ATOM 1285 CB THR A 98 -10.977 -7.265 9.015 1.00 0.00 C ATOM 1286 OG1 THR A 98 -10.906 -8.148 10.141 1.00 0.00 O ATOM 1287 CG2 THR A 98 -11.710 -5.991 9.416 1.00 0.00 C ATOM 0 H THR A 98 -11.084 -6.253 6.779 1.00 0.00 H new ATOM 0 HA THR A 98 -11.132 -8.880 7.578 1.00 0.00 H new ATOM 0 HB THR A 98 -9.967 -7.003 8.700 1.00 0.00 H new ATOM 0 HG1 THR A 98 -10.465 -7.691 10.888 1.00 0.00 H new ATOM 0 HG21 THR A 98 -11.200 -5.529 10.261 1.00 0.00 H new ATOM 0 HG22 THR A 98 -11.721 -5.297 8.575 1.00 0.00 H new ATOM 0 HG23 THR A 98 -12.734 -6.234 9.699 1.00 0.00 H new ATOM 1295 N PRO A 99 -13.351 -9.602 8.534 1.00 0.00 N ATOM 1296 CA PRO A 99 -14.684 -10.094 8.897 1.00 0.00 C ATOM 1297 C PRO A 99 -15.281 -9.326 10.073 1.00 0.00 C ATOM 1298 O PRO A 99 -14.861 -9.574 11.222 1.00 0.00 O ATOM 1299 CB PRO A 99 -14.449 -11.565 9.272 1.00 0.00 C ATOM 1300 CG PRO A 99 -12.982 -11.683 9.512 1.00 0.00 C ATOM 1301 CD PRO A 99 -12.334 -10.664 8.620 1.00 0.00 C ATOM 0 HA PRO A 99 -15.397 -9.968 8.082 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -15.016 -11.839 10.162 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -14.771 -12.231 8.471 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -12.741 -11.495 10.558 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -12.628 -12.687 9.279 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -11.400 -10.294 9.042 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -12.099 -11.078 7.639 1.00 0.00 H new TER 1309 PRO A 99