USER MOD reduce.3.24.130724 H: found=0, std=0, add=692, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 693 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 36 HIS : no HD1:sc= -3.16! C(o=-3.1!,f=-4!) USER MOD Set 1.2: A 104 SER OG : rot -108:sc= 0.0117 USER MOD Single : A 12 TYR OH : rot 150:sc= -2.11 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl 162:sc= 0 (180deg=-0.531) USER MOD Single : A 16 LYS NZ :NH3+ -130:sc= 0.0764 (180deg=-0.196) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN :FLIP amide:sc= -1.14! F(o=-2.2,f=-1.1!) USER MOD Single : A 35 ASN : amide:sc= -1.25 K(o=-1.2,f=-2.3!) USER MOD Single : A 37 CYS SG : rot 149:sc= -2.67 USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.398 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 86:sc= 0.893 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -5.92! C(o=-5.9!,f=-8.5!) USER MOD Single : A 57 GLN : amide:sc= -0.412 K(o=-0.41,f=-1.2) USER MOD Single : A 61 MET CE :methyl -160:sc= -0.0655 (180deg=-1.68) USER MOD Single : A 63 SER OG : rot -145:sc= 0.877 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= -0.141 X(o=-0.14,f=-0.14) USER MOD Single : A 79 SER OG : rot -100:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN : amide:sc= -0.114 K(o=-0.11,f=-1.9!) USER MOD Single : A 89 ASN : amide:sc= -1.62 K(o=-1.6,f=-4.9!) USER MOD Single : A 94 SER OG : rot 180:sc= -0.576 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N LEU A 8 -6.996 -0.571 5.113 1.00 0.00 N ATOM 67 CA LEU A 8 -6.687 -1.514 4.052 1.00 0.00 C ATOM 68 C LEU A 8 -7.825 -1.515 3.029 1.00 0.00 C ATOM 69 O LEU A 8 -7.620 -1.172 1.866 1.00 0.00 O ATOM 70 CB LEU A 8 -6.382 -2.896 4.634 1.00 0.00 C ATOM 71 CG LEU A 8 -5.209 -2.966 5.614 1.00 0.00 C ATOM 72 CD1 LEU A 8 -5.179 -4.315 6.336 1.00 0.00 C ATOM 73 CD2 LEU A 8 -3.886 -2.664 4.909 1.00 0.00 C ATOM 0 HA LEU A 8 -5.783 -1.210 3.524 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -7.276 -3.260 5.141 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -6.182 -3.580 3.809 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.351 -2.197 6.373 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -4.336 -4.339 7.027 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -6.107 -4.451 6.891 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -5.072 -5.117 5.605 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -3.069 -2.721 5.628 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -3.722 -3.393 4.116 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -3.923 -1.663 4.480 1.00 0.00 H new ATOM 85 N GLY A 9 -9.001 -1.905 3.500 1.00 0.00 N ATOM 86 CA GLY A 9 -10.172 -1.956 2.642 1.00 0.00 C ATOM 87 C GLY A 9 -10.123 -0.853 1.583 1.00 0.00 C ATOM 88 O GLY A 9 -9.955 -1.133 0.397 1.00 0.00 O ATOM 0 H GLY A 9 -9.167 -2.189 4.466 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -10.229 -2.930 2.156 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -11.074 -1.847 3.244 1.00 0.00 H new ATOM 92 N ALA A 10 -10.272 0.378 2.049 1.00 0.00 N ATOM 93 CA ALA A 10 -10.248 1.525 1.157 1.00 0.00 C ATOM 94 C ALA A 10 -9.019 1.433 0.249 1.00 0.00 C ATOM 95 O ALA A 10 -9.116 1.659 -0.956 1.00 0.00 O ATOM 96 CB ALA A 10 -10.268 2.814 1.981 1.00 0.00 C ATOM 0 H ALA A 10 -10.410 0.607 3.033 1.00 0.00 H new ATOM 0 HA ALA A 10 -11.131 1.533 0.518 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -10.250 3.674 1.312 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -11.174 2.845 2.587 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -9.395 2.843 2.632 1.00 0.00 H new ATOM 102 N LEU A 11 -7.893 1.100 0.863 1.00 0.00 N ATOM 103 CA LEU A 11 -6.648 0.975 0.125 1.00 0.00 C ATOM 104 C LEU A 11 -6.809 -0.088 -0.963 1.00 0.00 C ATOM 105 O LEU A 11 -6.543 0.173 -2.136 1.00 0.00 O ATOM 106 CB LEU A 11 -5.484 0.705 1.080 1.00 0.00 C ATOM 107 CG LEU A 11 -4.380 -0.213 0.551 1.00 0.00 C ATOM 108 CD1 LEU A 11 -4.760 -1.684 0.727 1.00 0.00 C ATOM 109 CD2 LEU A 11 -4.040 0.121 -0.903 1.00 0.00 C ATOM 0 H LEU A 11 -7.817 0.913 1.863 1.00 0.00 H new ATOM 0 HA LEU A 11 -6.408 1.912 -0.377 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -5.035 1.660 1.353 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -5.885 0.268 1.995 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.480 -0.040 1.140 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.959 -2.315 0.343 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -4.914 -1.896 1.785 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -5.679 -1.891 0.178 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -3.253 -0.546 -1.255 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.928 -0.007 -1.523 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -3.697 1.154 -0.969 1.00 0.00 H new ATOM 121 N TYR A 12 -7.244 -1.264 -0.537 1.00 0.00 N ATOM 122 CA TYR A 12 -7.444 -2.368 -1.461 1.00 0.00 C ATOM 123 C TYR A 12 -8.341 -1.951 -2.628 1.00 0.00 C ATOM 124 O TYR A 12 -8.074 -2.301 -3.776 1.00 0.00 O ATOM 125 CB TYR A 12 -8.147 -3.466 -0.660 1.00 0.00 C ATOM 126 CG TYR A 12 -8.619 -4.649 -1.507 1.00 0.00 C ATOM 127 CD1 TYR A 12 -7.750 -5.252 -2.395 1.00 0.00 C ATOM 128 CD2 TYR A 12 -9.912 -5.114 -1.384 1.00 0.00 C ATOM 129 CE1 TYR A 12 -8.194 -6.365 -3.193 1.00 0.00 C ATOM 130 CE2 TYR A 12 -10.356 -6.228 -2.182 1.00 0.00 C ATOM 131 CZ TYR A 12 -9.475 -6.799 -3.047 1.00 0.00 C ATOM 132 OH TYR A 12 -9.894 -7.851 -3.800 1.00 0.00 O ATOM 0 H TYR A 12 -7.464 -1.477 0.436 1.00 0.00 H new ATOM 0 HA TYR A 12 -6.492 -2.698 -1.877 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -7.467 -3.832 0.110 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -9.006 -3.034 -0.147 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -6.737 -4.889 -2.491 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -10.591 -4.643 -0.689 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -7.525 -6.845 -3.892 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -11.366 -6.601 -2.095 1.00 0.00 H new ATOM 0 HH TYR A 12 -10.581 -8.350 -3.311 1.00 0.00 H new ATOM 142 N LEU A 13 -9.385 -1.207 -2.293 1.00 0.00 N ATOM 143 CA LEU A 13 -10.323 -0.738 -3.300 1.00 0.00 C ATOM 144 C LEU A 13 -9.569 0.078 -4.351 1.00 0.00 C ATOM 145 O LEU A 13 -9.888 0.014 -5.538 1.00 0.00 O ATOM 146 CB LEU A 13 -11.478 0.021 -2.643 1.00 0.00 C ATOM 147 CG LEU A 13 -12.585 -0.840 -2.031 1.00 0.00 C ATOM 148 CD1 LEU A 13 -13.578 0.020 -1.247 1.00 0.00 C ATOM 149 CD2 LEU A 13 -13.278 -1.684 -3.103 1.00 0.00 C ATOM 0 H LEU A 13 -9.602 -0.917 -1.339 1.00 0.00 H new ATOM 0 HA LEU A 13 -10.780 -1.581 -3.818 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -11.068 0.660 -1.861 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -11.926 0.677 -3.389 1.00 0.00 H new ATOM 0 HG LEU A 13 -12.129 -1.531 -1.322 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -14.354 -0.616 -0.822 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -13.055 0.539 -0.444 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -14.033 0.751 -1.915 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -14.061 -2.287 -2.642 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -13.720 -1.028 -3.853 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -12.548 -2.339 -3.578 1.00 0.00 H new ATOM 161 N SER A 14 -8.584 0.827 -3.879 1.00 0.00 N ATOM 162 CA SER A 14 -7.782 1.655 -4.764 1.00 0.00 C ATOM 163 C SER A 14 -6.961 0.772 -5.705 1.00 0.00 C ATOM 164 O SER A 14 -6.930 1.007 -6.912 1.00 0.00 O ATOM 165 CB SER A 14 -6.862 2.582 -3.967 1.00 0.00 C ATOM 166 OG SER A 14 -6.866 3.910 -4.482 1.00 0.00 O ATOM 0 H SER A 14 -8.323 0.878 -2.894 1.00 0.00 H new ATOM 0 HA SER A 14 -8.455 2.276 -5.355 1.00 0.00 H new ATOM 0 HB2 SER A 14 -7.178 2.597 -2.924 1.00 0.00 H new ATOM 0 HB3 SER A 14 -5.846 2.189 -3.987 1.00 0.00 H new ATOM 0 HG SER A 14 -6.268 4.471 -3.945 1.00 0.00 H new ATOM 172 N MET A 15 -6.317 -0.225 -5.118 1.00 0.00 N ATOM 173 CA MET A 15 -5.497 -1.144 -5.889 1.00 0.00 C ATOM 174 C MET A 15 -6.265 -1.678 -7.101 1.00 0.00 C ATOM 175 O MET A 15 -5.696 -1.836 -8.180 1.00 0.00 O ATOM 176 CB MET A 15 -5.068 -2.314 -5.001 1.00 0.00 C ATOM 177 CG MET A 15 -3.932 -1.901 -4.063 1.00 0.00 C ATOM 178 SD MET A 15 -3.852 -3.019 -2.673 1.00 0.00 S ATOM 179 CE MET A 15 -2.094 -3.324 -2.622 1.00 0.00 C ATOM 0 H MET A 15 -6.346 -0.417 -4.117 1.00 0.00 H new ATOM 0 HA MET A 15 -4.619 -0.606 -6.246 1.00 0.00 H new ATOM 0 HB2 MET A 15 -5.919 -2.663 -4.416 1.00 0.00 H new ATOM 0 HB3 MET A 15 -4.746 -3.149 -5.623 1.00 0.00 H new ATOM 0 HG2 MET A 15 -2.984 -1.908 -4.601 1.00 0.00 H new ATOM 0 HG3 MET A 15 -4.092 -0.882 -3.712 1.00 0.00 H new ATOM 0 HE1 MET A 15 -1.823 -3.731 -1.648 1.00 0.00 H new ATOM 0 HE2 MET A 15 -1.826 -4.038 -3.401 1.00 0.00 H new ATOM 0 HE3 MET A 15 -1.558 -2.389 -2.786 1.00 0.00 H new ATOM 189 N LYS A 16 -7.545 -1.940 -6.882 1.00 0.00 N ATOM 190 CA LYS A 16 -8.396 -2.453 -7.942 1.00 0.00 C ATOM 191 C LYS A 16 -8.246 -1.569 -9.182 1.00 0.00 C ATOM 192 O LYS A 16 -8.096 -2.073 -10.294 1.00 0.00 O ATOM 193 CB LYS A 16 -9.839 -2.587 -7.453 1.00 0.00 C ATOM 194 CG LYS A 16 -10.032 -3.883 -6.664 1.00 0.00 C ATOM 195 CD LYS A 16 -10.656 -3.604 -5.295 1.00 0.00 C ATOM 196 CE LYS A 16 -11.568 -4.754 -4.863 1.00 0.00 C ATOM 197 NZ LYS A 16 -12.814 -4.755 -5.661 1.00 0.00 N ATOM 0 H LYS A 16 -8.014 -1.807 -5.986 1.00 0.00 H new ATOM 0 HA LYS A 16 -8.086 -3.458 -8.227 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -10.095 -1.733 -6.825 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -10.519 -2.571 -8.305 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -10.671 -4.564 -7.227 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -9.071 -4.381 -6.535 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -9.869 -3.462 -4.555 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -11.228 -2.677 -5.334 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -11.049 -5.704 -4.987 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -11.807 -4.658 -3.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -13.634 -4.812 -5.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -12.870 -3.879 -6.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -12.815 -5.574 -6.302 1.00 0.00 H new ATOM 211 N ASP A 17 -8.292 -0.265 -8.949 1.00 0.00 N ATOM 212 CA ASP A 17 -8.164 0.694 -10.033 1.00 0.00 C ATOM 213 C ASP A 17 -6.878 0.407 -10.812 1.00 0.00 C ATOM 214 O ASP A 17 -5.779 0.572 -10.285 1.00 0.00 O ATOM 215 CB ASP A 17 -8.083 2.124 -9.497 1.00 0.00 C ATOM 216 CG ASP A 17 -8.699 3.191 -10.404 1.00 0.00 C ATOM 217 OD1 ASP A 17 -8.313 3.217 -11.593 1.00 0.00 O ATOM 218 OD2 ASP A 17 -9.542 3.957 -9.889 1.00 0.00 O ATOM 0 H ASP A 17 -8.416 0.150 -8.025 1.00 0.00 H new ATOM 0 HA ASP A 17 -9.041 0.599 -10.673 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -8.580 2.161 -8.528 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -7.036 2.374 -9.327 1.00 0.00 H new ATOM 223 N PRO A 18 -7.064 -0.027 -12.087 1.00 0.00 N ATOM 224 CA PRO A 18 -5.932 -0.338 -12.944 1.00 0.00 C ATOM 225 C PRO A 18 -5.254 0.940 -13.441 1.00 0.00 C ATOM 226 O PRO A 18 -4.266 0.879 -14.172 1.00 0.00 O ATOM 227 CB PRO A 18 -6.510 -1.180 -14.069 1.00 0.00 C ATOM 228 CG PRO A 18 -8.008 -0.923 -14.056 1.00 0.00 C ATOM 229 CD PRO A 18 -8.350 -0.234 -12.745 1.00 0.00 C ATOM 0 HA PRO A 18 -5.145 -0.882 -12.421 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -6.074 -0.901 -15.029 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -6.294 -2.237 -13.916 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -8.296 -0.299 -14.902 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -8.557 -1.860 -14.150 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -8.863 0.712 -12.917 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -9.012 -0.849 -12.136 1.00 0.00 H new ATOM 237 N GLU A 19 -5.811 2.068 -13.026 1.00 0.00 N ATOM 238 CA GLU A 19 -5.272 3.359 -13.420 1.00 0.00 C ATOM 239 C GLU A 19 -4.832 4.149 -12.186 1.00 0.00 C ATOM 240 O GLU A 19 -3.687 4.589 -12.103 1.00 0.00 O ATOM 241 CB GLU A 19 -6.291 4.149 -14.244 1.00 0.00 C ATOM 242 CG GLU A 19 -6.184 3.801 -15.730 1.00 0.00 C ATOM 243 CD GLU A 19 -6.489 5.020 -16.602 1.00 0.00 C ATOM 244 OE1 GLU A 19 -5.874 6.075 -16.338 1.00 0.00 O ATOM 245 OE2 GLU A 19 -7.331 4.868 -17.514 1.00 0.00 O ATOM 0 H GLU A 19 -6.631 2.115 -12.421 1.00 0.00 H new ATOM 0 HA GLU A 19 -4.398 3.191 -14.049 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -7.298 3.932 -13.888 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -6.127 5.217 -14.104 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -5.182 3.434 -15.950 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -6.878 2.995 -15.969 1.00 0.00 H new ATOM 252 N LYS A 20 -5.766 4.306 -11.259 1.00 0.00 N ATOM 253 CA LYS A 20 -5.489 5.036 -10.034 1.00 0.00 C ATOM 254 C LYS A 20 -5.067 4.050 -8.942 1.00 0.00 C ATOM 255 O LYS A 20 -5.005 4.409 -7.767 1.00 0.00 O ATOM 256 CB LYS A 20 -6.685 5.908 -9.647 1.00 0.00 C ATOM 257 CG LYS A 20 -6.885 7.042 -10.654 1.00 0.00 C ATOM 258 CD LYS A 20 -7.668 8.198 -10.029 1.00 0.00 C ATOM 259 CE LYS A 20 -8.588 8.857 -11.058 1.00 0.00 C ATOM 260 NZ LYS A 20 -7.807 9.715 -11.978 1.00 0.00 N ATOM 0 H LYS A 20 -6.715 3.940 -11.332 1.00 0.00 H new ATOM 0 HA LYS A 20 -4.657 5.725 -10.181 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.586 5.296 -9.600 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -6.529 6.324 -8.652 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.916 7.400 -11.001 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -7.418 6.667 -11.528 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -8.259 7.830 -9.190 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -6.974 8.938 -9.630 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -9.116 8.091 -11.626 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -9.344 9.454 -10.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -8.447 10.155 -12.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -7.323 10.457 -11.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -7.102 9.137 -12.477 1.00 0.00 H new ATOM 274 N GLY A 21 -4.790 2.827 -9.369 1.00 0.00 N ATOM 275 CA GLY A 21 -4.376 1.787 -8.442 1.00 0.00 C ATOM 276 C GLY A 21 -3.194 0.993 -9.001 1.00 0.00 C ATOM 277 O GLY A 21 -2.400 1.520 -9.779 1.00 0.00 O ATOM 0 H GLY A 21 -4.844 2.533 -10.344 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -4.099 2.235 -7.488 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -5.211 1.114 -8.248 1.00 0.00 H new ATOM 281 N ILE A 22 -3.114 -0.262 -8.583 1.00 0.00 N ATOM 282 CA ILE A 22 -2.042 -1.134 -9.032 1.00 0.00 C ATOM 283 C ILE A 22 -2.265 -1.493 -10.503 1.00 0.00 C ATOM 284 O ILE A 22 -3.398 -1.495 -10.980 1.00 0.00 O ATOM 285 CB ILE A 22 -1.922 -2.351 -8.113 1.00 0.00 C ATOM 286 CG1 ILE A 22 -0.599 -2.329 -7.345 1.00 0.00 C ATOM 287 CG2 ILE A 22 -2.106 -3.651 -8.899 1.00 0.00 C ATOM 288 CD1 ILE A 22 -0.610 -3.350 -6.205 1.00 0.00 C ATOM 0 H ILE A 22 -3.774 -0.696 -7.938 1.00 0.00 H new ATOM 0 HA ILE A 22 -1.082 -0.621 -8.971 1.00 0.00 H new ATOM 0 HB ILE A 22 -2.724 -2.303 -7.376 1.00 0.00 H new ATOM 0 HG12 ILE A 22 0.224 -2.547 -8.025 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -0.424 -1.331 -6.943 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -2.016 -4.501 -8.223 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -3.092 -3.659 -9.363 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -1.341 -3.720 -9.672 1.00 0.00 H new ATOM 0 HD11 ILE A 22 0.342 -3.314 -5.675 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -1.419 -3.115 -5.514 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -0.760 -4.349 -6.613 1.00 0.00 H new ATOM 300 N LYS A 23 -1.165 -1.787 -11.180 1.00 0.00 N ATOM 301 CA LYS A 23 -1.226 -2.146 -12.586 1.00 0.00 C ATOM 302 C LYS A 23 -1.269 -3.670 -12.718 1.00 0.00 C ATOM 303 O LYS A 23 -0.675 -4.383 -11.910 1.00 0.00 O ATOM 304 CB LYS A 23 -0.075 -1.495 -13.356 1.00 0.00 C ATOM 305 CG LYS A 23 -0.533 -0.207 -14.043 1.00 0.00 C ATOM 306 CD LYS A 23 -0.364 -0.305 -15.560 1.00 0.00 C ATOM 307 CE LYS A 23 0.190 1.000 -16.135 1.00 0.00 C ATOM 308 NZ LYS A 23 -0.878 1.758 -16.824 1.00 0.00 N ATOM 0 H LYS A 23 -0.226 -1.784 -10.781 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.140 -1.760 -13.038 1.00 0.00 H new ATOM 0 HB2 LYS A 23 0.745 -1.275 -12.673 1.00 0.00 H new ATOM 0 HB3 LYS A 23 0.309 -2.192 -14.101 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -1.578 -0.014 -13.802 1.00 0.00 H new ATOM 0 HG3 LYS A 23 0.043 0.637 -13.663 1.00 0.00 H new ATOM 0 HD2 LYS A 23 0.309 -1.128 -15.802 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -1.325 -0.532 -16.023 1.00 0.00 H new ATOM 0 HE2 LYS A 23 0.615 1.605 -15.334 1.00 0.00 H new ATOM 0 HE3 LYS A 23 0.998 0.782 -16.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -0.485 2.641 -17.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -1.265 1.185 -17.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -1.636 1.982 -16.148 1.00 0.00 H new ATOM 322 N GLU A 24 -1.977 -4.124 -13.741 1.00 0.00 N ATOM 323 CA GLU A 24 -2.106 -5.550 -13.988 1.00 0.00 C ATOM 324 C GLU A 24 -1.644 -5.887 -15.407 1.00 0.00 C ATOM 325 O GLU A 24 -2.345 -5.602 -16.376 1.00 0.00 O ATOM 326 CB GLU A 24 -3.543 -6.020 -13.753 1.00 0.00 C ATOM 327 CG GLU A 24 -4.106 -5.437 -12.456 1.00 0.00 C ATOM 328 CD GLU A 24 -5.161 -6.364 -11.850 1.00 0.00 C ATOM 329 OE1 GLU A 24 -4.829 -7.553 -11.658 1.00 0.00 O ATOM 330 OE2 GLU A 24 -6.277 -5.862 -11.593 1.00 0.00 O ATOM 0 H GLU A 24 -2.468 -3.529 -14.409 1.00 0.00 H new ATOM 0 HA GLU A 24 -1.466 -6.080 -13.283 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -4.169 -5.719 -14.593 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -3.570 -7.109 -13.708 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -3.298 -5.284 -11.741 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -4.546 -4.460 -12.654 1.00 0.00 H new ATOM 337 N LEU A 25 -0.466 -6.489 -15.485 1.00 0.00 N ATOM 338 CA LEU A 25 0.098 -6.867 -16.769 1.00 0.00 C ATOM 339 C LEU A 25 -0.171 -8.352 -17.022 1.00 0.00 C ATOM 340 O LEU A 25 -0.490 -9.095 -16.095 1.00 0.00 O ATOM 341 CB LEU A 25 1.580 -6.491 -16.835 1.00 0.00 C ATOM 342 CG LEU A 25 1.902 -5.005 -16.666 1.00 0.00 C ATOM 343 CD1 LEU A 25 0.977 -4.142 -17.526 1.00 0.00 C ATOM 344 CD2 LEU A 25 1.859 -4.599 -15.192 1.00 0.00 C ATOM 0 H LEU A 25 0.113 -6.724 -14.679 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.384 -6.313 -17.575 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.111 -7.048 -16.063 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.976 -6.822 -17.795 1.00 0.00 H new ATOM 0 HG LEU A 25 2.920 -4.834 -17.017 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.227 -3.090 -17.387 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.102 -4.409 -18.575 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.058 -4.311 -17.229 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.092 -3.538 -15.100 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.863 -4.788 -14.791 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.592 -5.181 -14.633 1.00 0.00 H new ATOM 356 N ASN A 26 -0.033 -8.740 -18.281 1.00 0.00 N ATOM 357 CA ASN A 26 -0.257 -10.122 -18.668 1.00 0.00 C ATOM 358 C ASN A 26 1.043 -10.911 -18.501 1.00 0.00 C ATOM 359 O ASN A 26 1.816 -11.049 -19.448 1.00 0.00 O ATOM 360 CB ASN A 26 -0.686 -10.222 -20.133 1.00 0.00 C ATOM 361 CG ASN A 26 0.213 -9.366 -21.027 1.00 0.00 C ATOM 362 OD1 ASN A 26 -0.189 -8.104 -21.149 1.00 0.00 O flip ATOM 363 ND2 ASN A 26 1.207 -9.822 -21.570 1.00 0.00 N flip ATOM 0 H ASN A 26 0.231 -8.121 -19.047 1.00 0.00 H new ATOM 0 HA ASN A 26 -1.046 -10.526 -18.033 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -0.644 -11.262 -20.458 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -1.722 -9.898 -20.235 1.00 0.00 H new ATOM 0 HD21 ASN A 26 1.459 -10.801 -21.434 1.00 0.00 H new ATOM 0 HD22 ASN A 26 1.786 -9.224 -22.160 1.00 0.00 H new ATOM 370 N LEU A 27 1.245 -11.408 -17.290 1.00 0.00 N ATOM 371 CA LEU A 27 2.439 -12.180 -16.987 1.00 0.00 C ATOM 372 C LEU A 27 2.271 -13.603 -17.524 1.00 0.00 C ATOM 373 O LEU A 27 1.246 -14.241 -17.291 1.00 0.00 O ATOM 374 CB LEU A 27 2.750 -12.120 -15.490 1.00 0.00 C ATOM 375 CG LEU A 27 2.914 -10.721 -14.894 1.00 0.00 C ATOM 376 CD1 LEU A 27 2.467 -10.692 -13.431 1.00 0.00 C ATOM 377 CD2 LEU A 27 4.349 -10.217 -15.065 1.00 0.00 C ATOM 0 H LEU A 27 0.602 -11.291 -16.507 1.00 0.00 H new ATOM 0 HA LEU A 27 3.307 -11.751 -17.487 1.00 0.00 H new ATOM 0 HB2 LEU A 27 1.951 -12.631 -14.953 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.667 -12.681 -15.307 1.00 0.00 H new ATOM 0 HG LEU A 27 2.265 -10.038 -15.442 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.594 -9.686 -13.032 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.417 -10.979 -13.366 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.071 -11.391 -12.852 1.00 0.00 H new ATOM 0 HD21 LEU A 27 4.439 -9.220 -14.633 1.00 0.00 H new ATOM 0 HD22 LEU A 27 5.036 -10.895 -14.558 1.00 0.00 H new ATOM 0 HD23 LEU A 27 4.596 -10.176 -16.126 1.00 0.00 H new ATOM 482 N VAL A 33 -0.775 -17.786 -18.147 1.00 0.00 N ATOM 483 CA VAL A 33 -0.801 -16.385 -18.530 1.00 0.00 C ATOM 484 C VAL A 33 -1.859 -15.653 -17.701 1.00 0.00 C ATOM 485 O VAL A 33 -3.056 -15.832 -17.920 1.00 0.00 O ATOM 486 CB VAL A 33 -1.030 -16.259 -20.037 1.00 0.00 C ATOM 487 CG1 VAL A 33 -1.563 -14.870 -20.397 1.00 0.00 C ATOM 488 CG2 VAL A 33 0.250 -16.572 -20.814 1.00 0.00 C ATOM 0 HA VAL A 33 0.159 -15.914 -18.320 1.00 0.00 H new ATOM 0 HB VAL A 33 -1.784 -16.992 -20.323 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.717 -14.807 -21.474 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -2.510 -14.700 -19.885 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.842 -14.113 -20.089 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.060 -16.475 -21.883 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.034 -15.874 -20.520 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.570 -17.590 -20.593 1.00 0.00 H new ATOM 498 N PHE A 34 -1.378 -14.845 -16.767 1.00 0.00 N ATOM 499 CA PHE A 34 -2.268 -14.086 -15.905 1.00 0.00 C ATOM 500 C PHE A 34 -2.470 -12.667 -16.439 1.00 0.00 C ATOM 501 O PHE A 34 -1.566 -11.836 -16.363 1.00 0.00 O ATOM 502 CB PHE A 34 -1.601 -14.010 -14.530 1.00 0.00 C ATOM 503 CG PHE A 34 -1.068 -15.351 -14.022 1.00 0.00 C ATOM 504 CD1 PHE A 34 -1.891 -16.197 -13.344 1.00 0.00 C ATOM 505 CD2 PHE A 34 0.227 -15.699 -14.248 1.00 0.00 C ATOM 506 CE1 PHE A 34 -1.396 -17.441 -12.872 1.00 0.00 C ATOM 507 CE2 PHE A 34 0.721 -16.944 -13.776 1.00 0.00 C ATOM 508 CZ PHE A 34 -0.101 -17.789 -13.098 1.00 0.00 C ATOM 0 H PHE A 34 -0.384 -14.700 -16.589 1.00 0.00 H new ATOM 0 HA PHE A 34 -3.243 -14.570 -15.858 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -0.778 -13.297 -14.576 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -2.320 -13.620 -13.810 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -2.920 -15.922 -13.165 1.00 0.00 H new ATOM 0 HD2 PHE A 34 0.880 -15.028 -14.787 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -2.049 -18.112 -12.333 1.00 0.00 H new ATOM 0 HE2 PHE A 34 1.750 -17.220 -13.956 1.00 0.00 H new ATOM 0 HZ PHE A 34 0.274 -18.736 -12.739 1.00 0.00 H new ATOM 518 N ASN A 35 -3.662 -12.433 -16.969 1.00 0.00 N ATOM 519 CA ASN A 35 -3.995 -11.128 -17.516 1.00 0.00 C ATOM 520 C ASN A 35 -4.707 -10.298 -16.447 1.00 0.00 C ATOM 521 O ASN A 35 -5.616 -9.528 -16.756 1.00 0.00 O ATOM 522 CB ASN A 35 -4.933 -11.258 -18.717 1.00 0.00 C ATOM 523 CG ASN A 35 -4.147 -11.254 -20.030 1.00 0.00 C ATOM 524 OD1 ASN A 35 -3.865 -10.220 -20.612 1.00 0.00 O ATOM 525 ND2 ASN A 35 -3.810 -12.466 -20.462 1.00 0.00 N ATOM 0 H ASN A 35 -4.409 -13.125 -17.031 1.00 0.00 H new ATOM 0 HA ASN A 35 -3.069 -10.648 -17.832 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -5.508 -12.181 -18.636 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -5.648 -10.436 -18.715 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -3.284 -12.570 -21.329 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -4.078 -13.291 -19.926 1.00 0.00 H new ATOM 532 N HIS A 36 -4.269 -10.483 -15.210 1.00 0.00 N ATOM 533 CA HIS A 36 -4.854 -9.760 -14.093 1.00 0.00 C ATOM 534 C HIS A 36 -4.145 -10.159 -12.797 1.00 0.00 C ATOM 535 O HIS A 36 -4.796 -10.455 -11.796 1.00 0.00 O ATOM 536 CB HIS A 36 -6.366 -9.983 -14.034 1.00 0.00 C ATOM 537 CG HIS A 36 -7.176 -8.865 -14.647 1.00 0.00 C ATOM 538 ND1 HIS A 36 -7.252 -7.601 -14.088 1.00 0.00 N ATOM 539 CD2 HIS A 36 -7.942 -8.834 -15.775 1.00 0.00 C ATOM 540 CE1 HIS A 36 -8.032 -6.851 -14.854 1.00 0.00 C ATOM 541 NE2 HIS A 36 -8.459 -7.617 -15.898 1.00 0.00 N ATOM 0 H HIS A 36 -3.516 -11.123 -14.957 1.00 0.00 H new ATOM 0 HA HIS A 36 -4.709 -8.689 -14.232 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -6.606 -10.915 -14.546 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -6.665 -10.106 -12.993 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -8.101 -9.659 -16.453 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -8.285 -5.815 -14.681 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -9.074 -7.306 -16.650 1.00 0.00 H new ATOM 549 N CYS A 37 -2.822 -10.153 -12.858 1.00 0.00 N ATOM 550 CA CYS A 37 -2.018 -10.510 -11.701 1.00 0.00 C ATOM 551 C CYS A 37 -1.130 -9.316 -11.346 1.00 0.00 C ATOM 552 O CYS A 37 -1.044 -8.354 -12.107 1.00 0.00 O ATOM 553 CB CYS A 37 -1.198 -11.777 -11.952 1.00 0.00 C ATOM 554 SG CYS A 37 -1.732 -13.105 -10.811 1.00 0.00 S ATOM 0 H CYS A 37 -2.286 -9.907 -13.690 1.00 0.00 H new ATOM 0 HA CYS A 37 -2.670 -10.739 -10.858 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -1.323 -12.102 -12.985 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -0.138 -11.568 -11.809 1.00 0.00 H new ATOM 0 HG CYS A 37 -1.584 -14.260 -11.390 1.00 0.00 H new ATOM 560 N LEU A 38 -0.491 -9.418 -10.190 1.00 0.00 N ATOM 561 CA LEU A 38 0.387 -8.358 -9.724 1.00 0.00 C ATOM 562 C LEU A 38 1.802 -8.914 -9.551 1.00 0.00 C ATOM 563 O LEU A 38 2.210 -9.820 -10.276 1.00 0.00 O ATOM 564 CB LEU A 38 -0.178 -7.710 -8.459 1.00 0.00 C ATOM 565 CG LEU A 38 -1.703 -7.626 -8.372 1.00 0.00 C ATOM 566 CD1 LEU A 38 -2.141 -6.927 -7.084 1.00 0.00 C ATOM 567 CD2 LEU A 38 -2.287 -6.954 -9.616 1.00 0.00 C ATOM 0 H LEU A 38 -0.564 -10.219 -9.562 1.00 0.00 H new ATOM 0 HA LEU A 38 0.445 -7.559 -10.463 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.185 -8.268 -7.596 1.00 0.00 H new ATOM 0 HB3 LEU A 38 0.227 -6.701 -8.380 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.099 -8.641 -8.338 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.229 -6.881 -7.047 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -1.772 -7.485 -6.224 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.734 -5.916 -7.062 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.372 -6.907 -9.528 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.886 -5.944 -9.706 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.019 -7.531 -10.501 1.00 0.00 H new ATOM 579 N THR A 39 2.513 -8.346 -8.588 1.00 0.00 N ATOM 580 CA THR A 39 3.874 -8.774 -8.311 1.00 0.00 C ATOM 581 C THR A 39 4.279 -8.375 -6.890 1.00 0.00 C ATOM 582 O THR A 39 4.153 -7.213 -6.508 1.00 0.00 O ATOM 583 CB THR A 39 4.783 -8.184 -9.390 1.00 0.00 C ATOM 584 OG1 THR A 39 4.304 -6.852 -9.559 1.00 0.00 O ATOM 585 CG2 THR A 39 4.566 -8.834 -10.758 1.00 0.00 C ATOM 0 H THR A 39 2.172 -7.593 -7.990 1.00 0.00 H new ATOM 0 HA THR A 39 3.963 -9.860 -8.348 1.00 0.00 H new ATOM 0 HB THR A 39 5.824 -8.304 -9.092 1.00 0.00 H new ATOM 0 HG1 THR A 39 4.840 -6.396 -10.241 1.00 0.00 H new ATOM 0 HG21 THR A 39 5.236 -8.379 -11.488 1.00 0.00 H new ATOM 0 HG22 THR A 39 4.775 -9.902 -10.691 1.00 0.00 H new ATOM 0 HG23 THR A 39 3.533 -8.685 -11.072 1.00 0.00 H new ATOM 593 N GLY A 40 4.758 -9.362 -6.147 1.00 0.00 N ATOM 594 CA GLY A 40 5.182 -9.129 -4.777 1.00 0.00 C ATOM 595 C GLY A 40 5.892 -7.780 -4.645 1.00 0.00 C ATOM 596 O GLY A 40 5.616 -7.017 -3.720 1.00 0.00 O ATOM 0 H GLY A 40 4.862 -10.325 -6.468 1.00 0.00 H new ATOM 0 HA2 GLY A 40 4.316 -9.155 -4.115 1.00 0.00 H new ATOM 0 HA3 GLY A 40 5.851 -9.929 -4.458 1.00 0.00 H new ATOM 600 N SER A 41 6.793 -7.527 -5.583 1.00 0.00 N ATOM 601 CA SER A 41 7.545 -6.284 -5.583 1.00 0.00 C ATOM 602 C SER A 41 6.653 -5.133 -6.055 1.00 0.00 C ATOM 603 O SER A 41 6.474 -4.148 -5.340 1.00 0.00 O ATOM 604 CB SER A 41 8.786 -6.391 -6.470 1.00 0.00 C ATOM 605 OG SER A 41 9.002 -5.206 -7.232 1.00 0.00 O ATOM 0 H SER A 41 7.019 -8.162 -6.348 1.00 0.00 H new ATOM 0 HA SER A 41 7.876 -6.085 -4.564 1.00 0.00 H new ATOM 0 HB2 SER A 41 9.660 -6.587 -5.849 1.00 0.00 H new ATOM 0 HB3 SER A 41 8.678 -7.241 -7.144 1.00 0.00 H new ATOM 0 HG SER A 41 9.805 -5.314 -7.784 1.00 0.00 H new ATOM 611 N GLY A 42 6.117 -5.296 -7.255 1.00 0.00 N ATOM 612 CA GLY A 42 5.248 -4.283 -7.831 1.00 0.00 C ATOM 613 C GLY A 42 4.246 -3.769 -6.796 1.00 0.00 C ATOM 614 O GLY A 42 4.043 -2.562 -6.670 1.00 0.00 O ATOM 0 H GLY A 42 6.267 -6.114 -7.845 1.00 0.00 H new ATOM 0 HA2 GLY A 42 5.848 -3.453 -8.205 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.713 -4.700 -8.685 1.00 0.00 H new ATOM 618 N VAL A 43 3.645 -4.710 -6.083 1.00 0.00 N ATOM 619 CA VAL A 43 2.668 -4.367 -5.063 1.00 0.00 C ATOM 620 C VAL A 43 3.273 -3.334 -4.110 1.00 0.00 C ATOM 621 O VAL A 43 2.654 -2.311 -3.823 1.00 0.00 O ATOM 622 CB VAL A 43 2.191 -5.633 -4.348 1.00 0.00 C ATOM 623 CG1 VAL A 43 1.284 -5.286 -3.166 1.00 0.00 C ATOM 624 CG2 VAL A 43 1.485 -6.579 -5.322 1.00 0.00 C ATOM 0 H VAL A 43 3.816 -5.710 -6.191 1.00 0.00 H new ATOM 0 HA VAL A 43 1.786 -3.914 -5.516 1.00 0.00 H new ATOM 0 HB VAL A 43 3.068 -6.148 -3.957 1.00 0.00 H new ATOM 0 HG11 VAL A 43 0.959 -6.203 -2.675 1.00 0.00 H new ATOM 0 HG12 VAL A 43 1.833 -4.669 -2.455 1.00 0.00 H new ATOM 0 HG13 VAL A 43 0.413 -4.738 -3.525 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.156 -7.471 -4.789 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.621 -6.076 -5.756 1.00 0.00 H new ATOM 0 HG23 VAL A 43 2.175 -6.865 -6.116 1.00 0.00 H new ATOM 634 N ILE A 44 4.476 -3.639 -3.645 1.00 0.00 N ATOM 635 CA ILE A 44 5.172 -2.750 -2.730 1.00 0.00 C ATOM 636 C ILE A 44 5.670 -1.523 -3.498 1.00 0.00 C ATOM 637 O ILE A 44 5.921 -0.475 -2.904 1.00 0.00 O ATOM 638 CB ILE A 44 6.279 -3.503 -1.990 1.00 0.00 C ATOM 639 CG1 ILE A 44 5.738 -4.783 -1.349 1.00 0.00 C ATOM 640 CG2 ILE A 44 6.970 -2.597 -0.968 1.00 0.00 C ATOM 641 CD1 ILE A 44 6.880 -5.695 -0.897 1.00 0.00 C ATOM 0 H ILE A 44 4.986 -4.489 -3.885 1.00 0.00 H new ATOM 0 HA ILE A 44 4.492 -2.389 -1.958 1.00 0.00 H new ATOM 0 HB ILE A 44 7.034 -3.802 -2.717 1.00 0.00 H new ATOM 0 HG12 ILE A 44 5.111 -4.529 -0.494 1.00 0.00 H new ATOM 0 HG13 ILE A 44 5.106 -5.312 -2.062 1.00 0.00 H new ATOM 0 HG21 ILE A 44 7.753 -3.157 -0.456 1.00 0.00 H new ATOM 0 HG22 ILE A 44 7.411 -1.742 -1.480 1.00 0.00 H new ATOM 0 HG23 ILE A 44 6.239 -2.246 -0.240 1.00 0.00 H new ATOM 0 HD11 ILE A 44 6.468 -6.597 -0.445 1.00 0.00 H new ATOM 0 HD12 ILE A 44 7.491 -5.967 -1.758 1.00 0.00 H new ATOM 0 HD13 ILE A 44 7.496 -5.172 -0.166 1.00 0.00 H new ATOM 653 N ASP A 45 5.798 -1.694 -4.805 1.00 0.00 N ATOM 654 CA ASP A 45 6.261 -0.614 -5.659 1.00 0.00 C ATOM 655 C ASP A 45 5.156 0.435 -5.791 1.00 0.00 C ATOM 656 O ASP A 45 5.430 1.635 -5.785 1.00 0.00 O ATOM 657 CB ASP A 45 6.597 -1.126 -7.062 1.00 0.00 C ATOM 658 CG ASP A 45 7.673 -0.329 -7.801 1.00 0.00 C ATOM 659 OD1 ASP A 45 7.369 0.826 -8.171 1.00 0.00 O ATOM 660 OD2 ASP A 45 8.774 -0.892 -7.980 1.00 0.00 O ATOM 0 H ASP A 45 5.589 -2.565 -5.294 1.00 0.00 H new ATOM 0 HA ASP A 45 7.156 -0.187 -5.207 1.00 0.00 H new ATOM 0 HB2 ASP A 45 6.923 -2.163 -6.985 1.00 0.00 H new ATOM 0 HB3 ASP A 45 5.687 -1.121 -7.662 1.00 0.00 H new ATOM 665 N TRP A 46 3.930 -0.054 -5.908 1.00 0.00 N ATOM 666 CA TRP A 46 2.782 0.827 -6.041 1.00 0.00 C ATOM 667 C TRP A 46 2.598 1.568 -4.715 1.00 0.00 C ATOM 668 O TRP A 46 2.173 2.722 -4.698 1.00 0.00 O ATOM 669 CB TRP A 46 1.538 0.046 -6.467 1.00 0.00 C ATOM 670 CG TRP A 46 0.278 0.904 -6.596 1.00 0.00 C ATOM 671 CD1 TRP A 46 -0.175 1.547 -7.681 1.00 0.00 C ATOM 672 CD2 TRP A 46 -0.679 1.189 -5.554 1.00 0.00 C ATOM 673 NE1 TRP A 46 -1.349 2.222 -7.416 1.00 0.00 N ATOM 674 CE2 TRP A 46 -1.665 1.998 -6.082 1.00 0.00 C ATOM 675 CE3 TRP A 46 -0.711 0.776 -4.210 1.00 0.00 C ATOM 676 CZ2 TRP A 46 -2.755 2.464 -5.336 1.00 0.00 C ATOM 677 CZ3 TRP A 46 -1.806 1.251 -3.479 1.00 0.00 C ATOM 678 CH2 TRP A 46 -2.807 2.066 -3.995 1.00 0.00 C ATOM 0 H TRP A 46 3.707 -1.049 -5.913 1.00 0.00 H new ATOM 0 HA TRP A 46 2.949 1.561 -6.829 1.00 0.00 H new ATOM 0 HB2 TRP A 46 1.735 -0.438 -7.424 1.00 0.00 H new ATOM 0 HB3 TRP A 46 1.353 -0.746 -5.742 1.00 0.00 H new ATOM 0 HD1 TRP A 46 0.317 1.538 -8.642 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -1.886 2.782 -8.078 1.00 0.00 H new ATOM 0 HE3 TRP A 46 0.049 0.143 -3.776 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -3.514 3.096 -5.772 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -1.878 0.964 -2.440 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -3.621 2.391 -3.364 1.00 0.00 H new ATOM 689 N LEU A 47 2.927 0.873 -3.635 1.00 0.00 N ATOM 690 CA LEU A 47 2.803 1.451 -2.308 1.00 0.00 C ATOM 691 C LEU A 47 3.816 2.587 -2.154 1.00 0.00 C ATOM 692 O LEU A 47 3.451 3.705 -1.796 1.00 0.00 O ATOM 693 CB LEU A 47 2.929 0.365 -1.237 1.00 0.00 C ATOM 694 CG LEU A 47 1.790 -0.655 -1.179 1.00 0.00 C ATOM 695 CD1 LEU A 47 2.161 -1.841 -0.287 1.00 0.00 C ATOM 696 CD2 LEU A 47 0.483 0.007 -0.737 1.00 0.00 C ATOM 0 H LEU A 47 3.279 -0.084 -3.652 1.00 0.00 H new ATOM 0 HA LEU A 47 1.813 1.886 -2.173 1.00 0.00 H new ATOM 0 HB2 LEU A 47 3.863 -0.172 -1.401 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.006 0.850 -0.264 1.00 0.00 H new ATOM 0 HG LEU A 47 1.630 -1.045 -2.184 1.00 0.00 H new ATOM 0 HD11 LEU A 47 1.334 -2.551 -0.263 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.049 -2.332 -0.685 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.364 -1.487 0.724 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -0.310 -0.740 -0.704 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.613 0.443 0.254 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.214 0.791 -1.445 1.00 0.00 H new ATOM 708 N VAL A 48 5.070 2.260 -2.432 1.00 0.00 N ATOM 709 CA VAL A 48 6.139 3.239 -2.329 1.00 0.00 C ATOM 710 C VAL A 48 5.967 4.293 -3.425 1.00 0.00 C ATOM 711 O VAL A 48 6.179 5.481 -3.188 1.00 0.00 O ATOM 712 CB VAL A 48 7.497 2.538 -2.382 1.00 0.00 C ATOM 713 CG1 VAL A 48 8.639 3.556 -2.415 1.00 0.00 C ATOM 714 CG2 VAL A 48 7.660 1.569 -1.209 1.00 0.00 C ATOM 0 H VAL A 48 5.369 1.331 -2.728 1.00 0.00 H new ATOM 0 HA VAL A 48 6.092 3.756 -1.371 1.00 0.00 H new ATOM 0 HB VAL A 48 7.539 1.958 -3.304 1.00 0.00 H new ATOM 0 HG11 VAL A 48 9.593 3.031 -2.452 1.00 0.00 H new ATOM 0 HG12 VAL A 48 8.538 4.188 -3.297 1.00 0.00 H new ATOM 0 HG13 VAL A 48 8.600 4.175 -1.519 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.634 1.084 -1.271 1.00 0.00 H new ATOM 0 HG22 VAL A 48 7.587 2.118 -0.270 1.00 0.00 H new ATOM 0 HG23 VAL A 48 6.875 0.814 -1.249 1.00 0.00 H new ATOM 724 N SER A 49 5.583 3.820 -4.602 1.00 0.00 N ATOM 725 CA SER A 49 5.381 4.706 -5.735 1.00 0.00 C ATOM 726 C SER A 49 4.471 5.869 -5.333 1.00 0.00 C ATOM 727 O SER A 49 4.819 7.031 -5.533 1.00 0.00 O ATOM 728 CB SER A 49 4.784 3.951 -6.925 1.00 0.00 C ATOM 729 OG SER A 49 5.790 3.345 -7.731 1.00 0.00 O ATOM 0 H SER A 49 5.407 2.834 -4.795 1.00 0.00 H new ATOM 0 HA SER A 49 6.351 5.100 -6.039 1.00 0.00 H new ATOM 0 HB2 SER A 49 4.100 3.184 -6.562 1.00 0.00 H new ATOM 0 HB3 SER A 49 4.197 4.639 -7.534 1.00 0.00 H new ATOM 0 HG SER A 49 6.018 2.466 -7.363 1.00 0.00 H new ATOM 735 N ASN A 50 3.322 5.514 -4.775 1.00 0.00 N ATOM 736 CA ASN A 50 2.360 6.513 -4.344 1.00 0.00 C ATOM 737 C ASN A 50 2.761 7.040 -2.965 1.00 0.00 C ATOM 738 O ASN A 50 2.281 8.087 -2.532 1.00 0.00 O ATOM 739 CB ASN A 50 0.957 5.914 -4.232 1.00 0.00 C ATOM 740 CG ASN A 50 0.160 6.139 -5.519 1.00 0.00 C ATOM 741 OD1 ASN A 50 -0.485 7.157 -5.711 1.00 0.00 O ATOM 742 ND2 ASN A 50 0.240 5.134 -6.387 1.00 0.00 N ATOM 0 H ASN A 50 3.037 4.548 -4.612 1.00 0.00 H new ATOM 0 HA ASN A 50 2.352 7.314 -5.083 1.00 0.00 H new ATOM 0 HB2 ASN A 50 1.029 4.846 -4.027 1.00 0.00 H new ATOM 0 HB3 ASN A 50 0.431 6.365 -3.391 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -0.257 5.187 -7.276 1.00 0.00 H new ATOM 0 HD22 ASN A 50 0.798 4.310 -6.163 1.00 0.00 H new ATOM 749 N LYS A 51 3.637 6.290 -2.312 1.00 0.00 N ATOM 750 CA LYS A 51 4.108 6.668 -0.991 1.00 0.00 C ATOM 751 C LYS A 51 3.039 6.318 0.046 1.00 0.00 C ATOM 752 O LYS A 51 2.422 7.206 0.632 1.00 0.00 O ATOM 753 CB LYS A 51 4.525 8.140 -0.971 1.00 0.00 C ATOM 754 CG LYS A 51 5.409 8.475 -2.173 1.00 0.00 C ATOM 755 CD LYS A 51 6.887 8.247 -1.848 1.00 0.00 C ATOM 756 CE LYS A 51 7.645 7.733 -3.073 1.00 0.00 C ATOM 757 NZ LYS A 51 8.739 8.664 -3.433 1.00 0.00 N ATOM 0 H LYS A 51 4.033 5.422 -2.674 1.00 0.00 H new ATOM 0 HA LYS A 51 5.003 6.104 -0.730 1.00 0.00 H new ATOM 0 HB2 LYS A 51 3.638 8.773 -0.980 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.062 8.357 -0.048 1.00 0.00 H new ATOM 0 HG2 LYS A 51 5.121 7.858 -3.024 1.00 0.00 H new ATOM 0 HG3 LYS A 51 5.253 9.514 -2.465 1.00 0.00 H new ATOM 0 HD2 LYS A 51 7.335 9.179 -1.503 1.00 0.00 H new ATOM 0 HD3 LYS A 51 6.977 7.529 -1.033 1.00 0.00 H new ATOM 0 HE2 LYS A 51 8.054 6.744 -2.867 1.00 0.00 H new ATOM 0 HE3 LYS A 51 6.960 7.625 -3.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 9.244 8.301 -4.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 8.341 9.600 -3.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 9.402 8.746 -2.636 1.00 0.00 H new ATOM 771 N LEU A 52 2.851 5.020 0.242 1.00 0.00 N ATOM 772 CA LEU A 52 1.867 4.542 1.198 1.00 0.00 C ATOM 773 C LEU A 52 2.574 4.147 2.496 1.00 0.00 C ATOM 774 O LEU A 52 1.930 3.975 3.530 1.00 0.00 O ATOM 775 CB LEU A 52 1.030 3.417 0.587 1.00 0.00 C ATOM 776 CG LEU A 52 -0.139 3.855 -0.297 1.00 0.00 C ATOM 777 CD1 LEU A 52 -0.939 2.646 -0.787 1.00 0.00 C ATOM 778 CD2 LEU A 52 -1.024 4.872 0.428 1.00 0.00 C ATOM 0 H LEU A 52 3.364 4.285 -0.245 1.00 0.00 H new ATOM 0 HA LEU A 52 1.161 5.334 1.447 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.689 2.781 -0.005 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.637 2.803 1.397 1.00 0.00 H new ATOM 0 HG LEU A 52 0.267 4.352 -1.178 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.764 2.985 -1.413 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.289 1.990 -1.367 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -1.334 2.100 0.070 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -1.847 5.167 -0.223 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.423 4.424 1.338 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.433 5.751 0.686 1.00 0.00 H new ATOM 790 N VAL A 53 3.889 4.015 2.400 1.00 0.00 N ATOM 791 CA VAL A 53 4.690 3.644 3.554 1.00 0.00 C ATOM 792 C VAL A 53 5.914 4.559 3.636 1.00 0.00 C ATOM 793 O VAL A 53 6.021 5.526 2.883 1.00 0.00 O ATOM 794 CB VAL A 53 5.057 2.161 3.481 1.00 0.00 C ATOM 795 CG1 VAL A 53 3.856 1.281 3.834 1.00 0.00 C ATOM 796 CG2 VAL A 53 5.614 1.801 2.102 1.00 0.00 C ATOM 0 H VAL A 53 4.420 4.158 1.541 1.00 0.00 H new ATOM 0 HA VAL A 53 4.120 3.780 4.473 1.00 0.00 H new ATOM 0 HB VAL A 53 5.838 1.973 4.217 1.00 0.00 H new ATOM 0 HG11 VAL A 53 4.144 0.231 3.774 1.00 0.00 H new ATOM 0 HG12 VAL A 53 3.523 1.509 4.847 1.00 0.00 H new ATOM 0 HG13 VAL A 53 3.044 1.475 3.133 1.00 0.00 H new ATOM 0 HG21 VAL A 53 5.867 0.741 2.077 1.00 0.00 H new ATOM 0 HG22 VAL A 53 4.864 2.013 1.340 1.00 0.00 H new ATOM 0 HG23 VAL A 53 6.508 2.392 1.905 1.00 0.00 H new ATOM 806 N ARG A 54 6.805 4.222 4.556 1.00 0.00 N ATOM 807 CA ARG A 54 8.017 5.001 4.746 1.00 0.00 C ATOM 808 C ARG A 54 9.127 4.489 3.825 1.00 0.00 C ATOM 809 O ARG A 54 10.051 5.228 3.491 1.00 0.00 O ATOM 810 CB ARG A 54 8.495 4.931 6.197 1.00 0.00 C ATOM 811 CG ARG A 54 7.769 5.962 7.064 1.00 0.00 C ATOM 812 CD ARG A 54 8.635 6.387 8.252 1.00 0.00 C ATOM 813 NE ARG A 54 7.777 6.870 9.356 1.00 0.00 N ATOM 814 CZ ARG A 54 8.218 7.118 10.597 1.00 0.00 C ATOM 815 NH1 ARG A 54 9.510 6.930 10.899 1.00 0.00 N ATOM 816 NH2 ARG A 54 7.367 7.554 11.536 1.00 0.00 N ATOM 0 H ARG A 54 6.712 3.419 5.179 1.00 0.00 H new ATOM 0 HA ARG A 54 7.786 6.038 4.501 1.00 0.00 H new ATOM 0 HB2 ARG A 54 8.321 3.930 6.593 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.570 5.108 6.239 1.00 0.00 H new ATOM 0 HG2 ARG A 54 7.517 6.835 6.462 1.00 0.00 H new ATOM 0 HG3 ARG A 54 6.830 5.542 7.425 1.00 0.00 H new ATOM 0 HD2 ARG A 54 9.239 5.546 8.591 1.00 0.00 H new ATOM 0 HD3 ARG A 54 9.326 7.173 7.946 1.00 0.00 H new ATOM 0 HE ARG A 54 6.788 7.024 9.160 1.00 0.00 H new ATOM 0 HH11 ARG A 54 10.158 6.598 10.184 1.00 0.00 H new ATOM 0 HH12 ARG A 54 9.846 7.119 11.844 1.00 0.00 H new ATOM 0 HH21 ARG A 54 6.384 7.697 11.306 1.00 0.00 H new ATOM 0 HH22 ARG A 54 7.703 7.743 12.481 1.00 0.00 H new ATOM 830 N ASN A 55 8.999 3.227 3.442 1.00 0.00 N ATOM 831 CA ASN A 55 9.979 2.607 2.567 1.00 0.00 C ATOM 832 C ASN A 55 9.523 1.189 2.220 1.00 0.00 C ATOM 833 O ASN A 55 8.601 0.660 2.840 1.00 0.00 O ATOM 834 CB ASN A 55 11.345 2.511 3.251 1.00 0.00 C ATOM 835 CG ASN A 55 11.282 1.593 4.473 1.00 0.00 C ATOM 836 OD1 ASN A 55 12.121 0.731 4.678 1.00 0.00 O ATOM 837 ND2 ASN A 55 10.244 1.826 5.272 1.00 0.00 N ATOM 0 H ASN A 55 8.231 2.617 3.722 1.00 0.00 H new ATOM 0 HA ASN A 55 10.067 3.221 1.671 1.00 0.00 H new ATOM 0 HB2 ASN A 55 12.084 2.132 2.545 1.00 0.00 H new ATOM 0 HB3 ASN A 55 11.674 3.505 3.555 1.00 0.00 H new ATOM 0 HD21 ASN A 55 10.114 1.267 6.115 1.00 0.00 H new ATOM 0 HD22 ASN A 55 9.578 2.564 5.041 1.00 0.00 H new ATOM 844 N ARG A 56 10.190 0.612 1.231 1.00 0.00 N ATOM 845 CA ARG A 56 9.864 -0.735 0.795 1.00 0.00 C ATOM 846 C ARG A 56 9.642 -1.646 2.004 1.00 0.00 C ATOM 847 O ARG A 56 8.667 -2.394 2.051 1.00 0.00 O ATOM 848 CB ARG A 56 10.980 -1.317 -0.075 1.00 0.00 C ATOM 849 CG ARG A 56 10.543 -2.633 -0.720 1.00 0.00 C ATOM 850 CD ARG A 56 11.014 -2.715 -2.174 1.00 0.00 C ATOM 851 NE ARG A 56 9.895 -2.389 -3.087 1.00 0.00 N ATOM 852 CZ ARG A 56 9.792 -2.847 -4.342 1.00 0.00 C ATOM 853 NH1 ARG A 56 10.739 -3.653 -4.841 1.00 0.00 N ATOM 854 NH2 ARG A 56 8.742 -2.499 -5.098 1.00 0.00 N ATOM 0 H ARG A 56 10.954 1.053 0.719 1.00 0.00 H new ATOM 0 HA ARG A 56 8.949 -0.680 0.205 1.00 0.00 H new ATOM 0 HB2 ARG A 56 11.252 -0.601 -0.850 1.00 0.00 H new ATOM 0 HB3 ARG A 56 11.870 -1.483 0.532 1.00 0.00 H new ATOM 0 HG2 ARG A 56 10.949 -3.472 -0.155 1.00 0.00 H new ATOM 0 HG3 ARG A 56 9.457 -2.718 -0.681 1.00 0.00 H new ATOM 0 HD2 ARG A 56 11.841 -2.023 -2.337 1.00 0.00 H new ATOM 0 HD3 ARG A 56 11.389 -3.716 -2.388 1.00 0.00 H new ATOM 0 HE ARG A 56 9.156 -1.778 -2.739 1.00 0.00 H new ATOM 0 HH11 ARG A 56 11.538 -3.918 -4.265 1.00 0.00 H new ATOM 0 HH12 ARG A 56 10.660 -4.002 -5.796 1.00 0.00 H new ATOM 0 HH21 ARG A 56 8.021 -1.885 -4.718 1.00 0.00 H new ATOM 0 HH22 ARG A 56 8.664 -2.848 -6.053 1.00 0.00 H new ATOM 868 N GLN A 57 10.563 -1.552 2.952 1.00 0.00 N ATOM 869 CA GLN A 57 10.480 -2.358 4.158 1.00 0.00 C ATOM 870 C GLN A 57 9.046 -2.367 4.693 1.00 0.00 C ATOM 871 O GLN A 57 8.406 -3.416 4.748 1.00 0.00 O ATOM 872 CB GLN A 57 11.459 -1.856 5.221 1.00 0.00 C ATOM 873 CG GLN A 57 11.875 -2.989 6.162 1.00 0.00 C ATOM 874 CD GLN A 57 10.789 -3.264 7.204 1.00 0.00 C ATOM 875 OE1 GLN A 57 10.379 -2.395 7.955 1.00 0.00 O ATOM 876 NE2 GLN A 57 10.347 -4.519 7.207 1.00 0.00 N ATOM 0 H GLN A 57 11.370 -0.930 2.909 1.00 0.00 H new ATOM 0 HA GLN A 57 10.760 -3.381 3.908 1.00 0.00 H new ATOM 0 HB2 GLN A 57 12.342 -1.437 4.738 1.00 0.00 H new ATOM 0 HB3 GLN A 57 10.998 -1.053 5.795 1.00 0.00 H new ATOM 0 HG2 GLN A 57 12.067 -3.893 5.585 1.00 0.00 H new ATOM 0 HG3 GLN A 57 12.807 -2.726 6.663 1.00 0.00 H new ATOM 0 HE21 GLN A 57 10.734 -5.197 6.551 1.00 0.00 H new ATOM 0 HE22 GLN A 57 9.622 -4.803 7.866 1.00 0.00 H new ATOM 885 N GLU A 58 8.584 -1.185 5.074 1.00 0.00 N ATOM 886 CA GLU A 58 7.238 -1.043 5.603 1.00 0.00 C ATOM 887 C GLU A 58 6.230 -1.736 4.683 1.00 0.00 C ATOM 888 O GLU A 58 5.395 -2.512 5.144 1.00 0.00 O ATOM 889 CB GLU A 58 6.878 0.431 5.799 1.00 0.00 C ATOM 890 CG GLU A 58 7.230 0.898 7.212 1.00 0.00 C ATOM 891 CD GLU A 58 8.477 0.180 7.732 1.00 0.00 C ATOM 892 OE1 GLU A 58 9.584 0.620 7.353 1.00 0.00 O ATOM 893 OE2 GLU A 58 8.296 -0.792 8.497 1.00 0.00 O ATOM 0 H GLU A 58 9.118 -0.317 5.027 1.00 0.00 H new ATOM 0 HA GLU A 58 7.200 -1.525 6.580 1.00 0.00 H new ATOM 0 HB2 GLU A 58 7.410 1.039 5.068 1.00 0.00 H new ATOM 0 HB3 GLU A 58 5.813 0.576 5.619 1.00 0.00 H new ATOM 0 HG2 GLU A 58 7.400 1.975 7.211 1.00 0.00 H new ATOM 0 HG3 GLU A 58 6.391 0.708 7.881 1.00 0.00 H new ATOM 900 N GLY A 59 6.343 -1.430 3.398 1.00 0.00 N ATOM 901 CA GLY A 59 5.452 -2.014 2.410 1.00 0.00 C ATOM 902 C GLY A 59 5.443 -3.540 2.512 1.00 0.00 C ATOM 903 O GLY A 59 4.380 -4.158 2.537 1.00 0.00 O ATOM 0 H GLY A 59 7.037 -0.786 3.019 1.00 0.00 H new ATOM 0 HA2 GLY A 59 4.442 -1.631 2.555 1.00 0.00 H new ATOM 0 HA3 GLY A 59 5.766 -1.715 1.410 1.00 0.00 H new ATOM 907 N LEU A 60 6.641 -4.104 2.569 1.00 0.00 N ATOM 908 CA LEU A 60 6.785 -5.547 2.669 1.00 0.00 C ATOM 909 C LEU A 60 5.856 -6.073 3.765 1.00 0.00 C ATOM 910 O LEU A 60 5.083 -7.001 3.535 1.00 0.00 O ATOM 911 CB LEU A 60 8.253 -5.926 2.872 1.00 0.00 C ATOM 912 CG LEU A 60 8.595 -7.406 2.689 1.00 0.00 C ATOM 913 CD1 LEU A 60 8.765 -8.101 4.041 1.00 0.00 C ATOM 914 CD2 LEU A 60 7.554 -8.105 1.812 1.00 0.00 C ATOM 0 H LEU A 60 7.521 -3.588 2.548 1.00 0.00 H new ATOM 0 HA LEU A 60 6.482 -6.026 1.738 1.00 0.00 H new ATOM 0 HB2 LEU A 60 8.857 -5.345 2.175 1.00 0.00 H new ATOM 0 HB3 LEU A 60 8.549 -5.627 3.877 1.00 0.00 H new ATOM 0 HG LEU A 60 9.551 -7.474 2.170 1.00 0.00 H new ATOM 0 HD11 LEU A 60 9.008 -9.152 3.882 1.00 0.00 H new ATOM 0 HD12 LEU A 60 9.571 -7.623 4.597 1.00 0.00 H new ATOM 0 HD13 LEU A 60 7.838 -8.025 4.609 1.00 0.00 H new ATOM 0 HD21 LEU A 60 7.821 -9.156 1.698 1.00 0.00 H new ATOM 0 HD22 LEU A 60 6.573 -8.029 2.281 1.00 0.00 H new ATOM 0 HD23 LEU A 60 7.526 -7.629 0.832 1.00 0.00 H new ATOM 926 N MET A 61 5.964 -5.457 4.933 1.00 0.00 N ATOM 927 CA MET A 61 5.143 -5.852 6.065 1.00 0.00 C ATOM 928 C MET A 61 3.658 -5.635 5.769 1.00 0.00 C ATOM 929 O MET A 61 2.863 -6.570 5.846 1.00 0.00 O ATOM 930 CB MET A 61 5.544 -5.035 7.295 1.00 0.00 C ATOM 931 CG MET A 61 7.062 -5.039 7.486 1.00 0.00 C ATOM 932 SD MET A 61 7.466 -4.624 9.175 1.00 0.00 S ATOM 933 CE MET A 61 6.420 -3.195 9.402 1.00 0.00 C ATOM 0 H MET A 61 6.607 -4.688 5.120 1.00 0.00 H new ATOM 0 HA MET A 61 5.304 -6.913 6.254 1.00 0.00 H new ATOM 0 HB2 MET A 61 5.191 -4.010 7.186 1.00 0.00 H new ATOM 0 HB3 MET A 61 5.061 -5.446 8.182 1.00 0.00 H new ATOM 0 HG2 MET A 61 7.465 -6.021 7.238 1.00 0.00 H new ATOM 0 HG3 MET A 61 7.524 -4.323 6.806 1.00 0.00 H new ATOM 0 HE1 MET A 61 6.788 -2.604 10.241 1.00 0.00 H new ATOM 0 HE2 MET A 61 6.432 -2.588 8.497 1.00 0.00 H new ATOM 0 HE3 MET A 61 5.400 -3.520 9.607 1.00 0.00 H new ATOM 943 N ILE A 62 3.329 -4.395 5.436 1.00 0.00 N ATOM 944 CA ILE A 62 1.954 -4.043 5.127 1.00 0.00 C ATOM 945 C ILE A 62 1.385 -5.054 4.129 1.00 0.00 C ATOM 946 O ILE A 62 0.352 -5.671 4.386 1.00 0.00 O ATOM 947 CB ILE A 62 1.866 -2.592 4.651 1.00 0.00 C ATOM 948 CG1 ILE A 62 2.412 -1.633 5.710 1.00 0.00 C ATOM 949 CG2 ILE A 62 0.437 -2.236 4.237 1.00 0.00 C ATOM 950 CD1 ILE A 62 1.557 -1.673 6.979 1.00 0.00 C ATOM 0 H ILE A 62 3.991 -3.622 5.374 1.00 0.00 H new ATOM 0 HA ILE A 62 1.336 -4.097 6.023 1.00 0.00 H new ATOM 0 HB ILE A 62 2.493 -2.485 3.766 1.00 0.00 H new ATOM 0 HG12 ILE A 62 3.441 -1.900 5.952 1.00 0.00 H new ATOM 0 HG13 ILE A 62 2.431 -0.618 5.312 1.00 0.00 H new ATOM 0 HG21 ILE A 62 0.403 -1.199 3.903 1.00 0.00 H new ATOM 0 HG22 ILE A 62 0.120 -2.890 3.424 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -0.231 -2.365 5.088 1.00 0.00 H new ATOM 0 HD11 ILE A 62 1.967 -0.982 7.716 1.00 0.00 H new ATOM 0 HD12 ILE A 62 0.535 -1.382 6.738 1.00 0.00 H new ATOM 0 HD13 ILE A 62 1.560 -2.683 7.388 1.00 0.00 H new ATOM 962 N SER A 63 2.083 -5.191 3.012 1.00 0.00 N ATOM 963 CA SER A 63 1.661 -6.116 1.974 1.00 0.00 C ATOM 964 C SER A 63 1.089 -7.386 2.607 1.00 0.00 C ATOM 965 O SER A 63 -0.040 -7.777 2.312 1.00 0.00 O ATOM 966 CB SER A 63 2.821 -6.464 1.040 1.00 0.00 C ATOM 967 OG SER A 63 2.947 -5.528 -0.027 1.00 0.00 O ATOM 0 H SER A 63 2.939 -4.677 2.803 1.00 0.00 H new ATOM 0 HA SER A 63 0.886 -5.632 1.380 1.00 0.00 H new ATOM 0 HB2 SER A 63 3.750 -6.491 1.610 1.00 0.00 H new ATOM 0 HB3 SER A 63 2.669 -7.463 0.630 1.00 0.00 H new ATOM 0 HG SER A 63 3.237 -5.994 -0.839 1.00 0.00 H new ATOM 973 N ALA A 64 1.894 -7.996 3.465 1.00 0.00 N ATOM 974 CA ALA A 64 1.482 -9.214 4.141 1.00 0.00 C ATOM 975 C ALA A 64 0.066 -9.033 4.691 1.00 0.00 C ATOM 976 O ALA A 64 -0.813 -9.853 4.433 1.00 0.00 O ATOM 977 CB ALA A 64 2.494 -9.556 5.237 1.00 0.00 C ATOM 0 H ALA A 64 2.829 -7.669 3.707 1.00 0.00 H new ATOM 0 HA ALA A 64 1.460 -10.052 3.444 1.00 0.00 H new ATOM 0 HB1 ALA A 64 2.186 -10.470 5.745 1.00 0.00 H new ATOM 0 HB2 ALA A 64 3.478 -9.703 4.791 1.00 0.00 H new ATOM 0 HB3 ALA A 64 2.541 -8.739 5.957 1.00 0.00 H new ATOM 983 N SER A 65 -0.110 -7.954 5.440 1.00 0.00 N ATOM 984 CA SER A 65 -1.405 -7.655 6.028 1.00 0.00 C ATOM 985 C SER A 65 -2.505 -7.803 4.976 1.00 0.00 C ATOM 986 O SER A 65 -3.566 -8.359 5.256 1.00 0.00 O ATOM 987 CB SER A 65 -1.427 -6.246 6.624 1.00 0.00 C ATOM 988 OG SER A 65 -1.794 -6.254 8.001 1.00 0.00 O ATOM 0 H SER A 65 0.622 -7.277 5.653 1.00 0.00 H new ATOM 0 HA SER A 65 -1.586 -8.365 6.835 1.00 0.00 H new ATOM 0 HB2 SER A 65 -0.443 -5.790 6.514 1.00 0.00 H new ATOM 0 HB3 SER A 65 -2.129 -5.627 6.065 1.00 0.00 H new ATOM 0 HG SER A 65 -1.795 -5.336 8.345 1.00 0.00 H new ATOM 994 N LEU A 66 -2.214 -7.297 3.786 1.00 0.00 N ATOM 995 CA LEU A 66 -3.166 -7.366 2.691 1.00 0.00 C ATOM 996 C LEU A 66 -3.378 -8.829 2.297 1.00 0.00 C ATOM 997 O LEU A 66 -4.512 -9.304 2.248 1.00 0.00 O ATOM 998 CB LEU A 66 -2.713 -6.476 1.531 1.00 0.00 C ATOM 999 CG LEU A 66 -2.857 -4.968 1.746 1.00 0.00 C ATOM 1000 CD1 LEU A 66 -4.316 -4.530 1.601 1.00 0.00 C ATOM 1001 CD2 LEU A 66 -2.264 -4.548 3.093 1.00 0.00 C ATOM 0 H LEU A 66 -1.333 -6.838 3.557 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.135 -6.976 3.003 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -1.666 -6.694 1.319 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.282 -6.752 0.643 1.00 0.00 H new ATOM 0 HG LEU A 66 -2.289 -4.456 0.969 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -4.390 -3.454 1.759 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -4.672 -4.776 0.600 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -4.927 -5.048 2.341 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.379 -3.472 3.221 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.785 -5.067 3.898 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.205 -4.806 3.121 1.00 0.00 H new ATOM 1013 N LEU A 67 -2.270 -9.502 2.026 1.00 0.00 N ATOM 1014 CA LEU A 67 -2.321 -10.902 1.638 1.00 0.00 C ATOM 1015 C LEU A 67 -3.087 -11.694 2.700 1.00 0.00 C ATOM 1016 O LEU A 67 -4.017 -12.431 2.378 1.00 0.00 O ATOM 1017 CB LEU A 67 -0.912 -11.435 1.371 1.00 0.00 C ATOM 1018 CG LEU A 67 -0.812 -12.922 1.026 1.00 0.00 C ATOM 1019 CD1 LEU A 67 -0.650 -13.126 -0.482 1.00 0.00 C ATOM 1020 CD2 LEU A 67 0.311 -13.594 1.819 1.00 0.00 C ATOM 0 H LEU A 67 -1.332 -9.105 2.067 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.864 -11.018 0.700 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -0.477 -10.862 0.552 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.300 -11.245 2.253 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.745 -13.404 1.317 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.581 -14.192 -0.700 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.511 -12.704 -1.001 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.258 -12.627 -0.821 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.361 -14.650 1.555 1.00 0.00 H new ATOM 0 HD22 LEU A 67 1.261 -13.115 1.581 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.112 -13.495 2.886 1.00 0.00 H new ATOM 1032 N SER A 68 -2.667 -11.514 3.943 1.00 0.00 N ATOM 1033 CA SER A 68 -3.301 -12.202 5.054 1.00 0.00 C ATOM 1034 C SER A 68 -4.820 -12.037 4.974 1.00 0.00 C ATOM 1035 O SER A 68 -5.547 -13.015 4.805 1.00 0.00 O ATOM 1036 CB SER A 68 -2.781 -11.681 6.395 1.00 0.00 C ATOM 1037 OG SER A 68 -2.019 -12.664 7.091 1.00 0.00 O ATOM 0 H SER A 68 -1.895 -10.901 4.205 1.00 0.00 H new ATOM 0 HA SER A 68 -3.052 -13.261 4.986 1.00 0.00 H new ATOM 0 HB2 SER A 68 -2.165 -10.798 6.226 1.00 0.00 H new ATOM 0 HB3 SER A 68 -3.623 -11.370 7.014 1.00 0.00 H new ATOM 0 HG SER A 68 -1.704 -12.292 7.941 1.00 0.00 H new ATOM 1043 N GLU A 69 -5.255 -10.791 5.098 1.00 0.00 N ATOM 1044 CA GLU A 69 -6.674 -10.485 5.042 1.00 0.00 C ATOM 1045 C GLU A 69 -7.350 -11.301 3.938 1.00 0.00 C ATOM 1046 O GLU A 69 -8.480 -11.758 4.102 1.00 0.00 O ATOM 1047 CB GLU A 69 -6.904 -8.986 4.834 1.00 0.00 C ATOM 1048 CG GLU A 69 -6.580 -8.201 6.107 1.00 0.00 C ATOM 1049 CD GLU A 69 -7.612 -8.482 7.201 1.00 0.00 C ATOM 1050 OE1 GLU A 69 -8.806 -8.580 6.844 1.00 0.00 O ATOM 1051 OE2 GLU A 69 -7.183 -8.591 8.370 1.00 0.00 O ATOM 0 H GLU A 69 -4.649 -9.982 5.237 1.00 0.00 H new ATOM 0 HA GLU A 69 -7.123 -10.759 5.997 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -6.281 -8.629 4.014 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -7.941 -8.810 4.547 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -5.585 -8.471 6.462 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -6.561 -7.134 5.886 1.00 0.00 H new ATOM 1058 N GLY A 70 -6.629 -11.459 2.837 1.00 0.00 N ATOM 1059 CA GLY A 70 -7.145 -12.212 1.707 1.00 0.00 C ATOM 1060 C GLY A 70 -7.428 -11.292 0.518 1.00 0.00 C ATOM 1061 O GLY A 70 -8.194 -11.645 -0.377 1.00 0.00 O ATOM 0 H GLY A 70 -5.692 -11.078 2.704 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -6.425 -12.977 1.416 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -8.060 -12.729 1.997 1.00 0.00 H new ATOM 1065 N TYR A 71 -6.795 -10.128 0.548 1.00 0.00 N ATOM 1066 CA TYR A 71 -6.969 -9.154 -0.516 1.00 0.00 C ATOM 1067 C TYR A 71 -6.127 -9.521 -1.739 1.00 0.00 C ATOM 1068 O TYR A 71 -6.393 -9.052 -2.845 1.00 0.00 O ATOM 1069 CB TYR A 71 -6.474 -7.820 0.048 1.00 0.00 C ATOM 1070 CG TYR A 71 -7.450 -7.156 1.021 1.00 0.00 C ATOM 1071 CD1 TYR A 71 -8.729 -6.840 0.608 1.00 0.00 C ATOM 1072 CD2 TYR A 71 -7.052 -6.871 2.311 1.00 0.00 C ATOM 1073 CE1 TYR A 71 -9.647 -6.215 1.524 1.00 0.00 C ATOM 1074 CE2 TYR A 71 -7.970 -6.246 3.227 1.00 0.00 C ATOM 1075 CZ TYR A 71 -9.223 -5.948 2.788 1.00 0.00 C ATOM 1076 OH TYR A 71 -10.090 -5.357 3.653 1.00 0.00 O ATOM 0 H TYR A 71 -6.161 -9.838 1.292 1.00 0.00 H new ATOM 0 HA TYR A 71 -8.011 -9.113 -0.832 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -5.524 -7.982 0.557 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -6.280 -7.137 -0.779 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -9.041 -7.062 -0.402 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -6.051 -7.117 2.634 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -10.651 -5.964 1.214 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -7.671 -6.019 4.240 1.00 0.00 H new ATOM 0 HH TYR A 71 -9.651 -5.228 4.519 1.00 0.00 H new ATOM 1086 N LEU A 72 -5.126 -10.357 -1.500 1.00 0.00 N ATOM 1087 CA LEU A 72 -4.243 -10.792 -2.568 1.00 0.00 C ATOM 1088 C LEU A 72 -4.139 -12.318 -2.547 1.00 0.00 C ATOM 1089 O LEU A 72 -3.730 -12.903 -1.545 1.00 0.00 O ATOM 1090 CB LEU A 72 -2.892 -10.082 -2.469 1.00 0.00 C ATOM 1091 CG LEU A 72 -2.935 -8.553 -2.488 1.00 0.00 C ATOM 1092 CD1 LEU A 72 -1.706 -7.961 -1.794 1.00 0.00 C ATOM 1093 CD2 LEU A 72 -3.096 -8.026 -3.915 1.00 0.00 C ATOM 0 H LEU A 72 -4.908 -10.744 -0.582 1.00 0.00 H new ATOM 0 HA LEU A 72 -4.653 -10.513 -3.539 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.403 -10.401 -1.548 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -2.266 -10.418 -3.295 1.00 0.00 H new ATOM 0 HG LEU A 72 -3.810 -8.230 -1.925 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.762 -6.873 -1.822 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.677 -8.297 -0.757 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -0.803 -8.291 -2.308 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -3.124 -6.936 -3.900 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -2.255 -8.359 -4.523 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -4.024 -8.406 -4.341 1.00 0.00 H new ATOM 1105 N GLN A 73 -4.515 -12.921 -3.666 1.00 0.00 N ATOM 1106 CA GLN A 73 -4.469 -14.368 -3.789 1.00 0.00 C ATOM 1107 C GLN A 73 -3.181 -14.800 -4.493 1.00 0.00 C ATOM 1108 O GLN A 73 -2.710 -14.121 -5.404 1.00 0.00 O ATOM 1109 CB GLN A 73 -5.701 -14.895 -4.527 1.00 0.00 C ATOM 1110 CG GLN A 73 -6.980 -14.592 -3.744 1.00 0.00 C ATOM 1111 CD GLN A 73 -7.048 -15.423 -2.462 1.00 0.00 C ATOM 1112 OE1 GLN A 73 -7.301 -16.617 -2.477 1.00 0.00 O ATOM 1113 NE2 GLN A 73 -6.810 -14.728 -1.353 1.00 0.00 N ATOM 0 H GLN A 73 -4.853 -12.433 -4.496 1.00 0.00 H new ATOM 0 HA GLN A 73 -4.475 -14.799 -2.788 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -5.759 -14.440 -5.516 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -5.608 -15.971 -4.676 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -7.016 -13.531 -3.496 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -7.850 -14.804 -4.366 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -6.604 -13.731 -1.410 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -6.833 -15.193 -0.445 1.00 0.00 H new ATOM 1122 N PRO A 74 -2.635 -15.957 -4.033 1.00 0.00 N ATOM 1123 CA PRO A 74 -1.411 -16.488 -4.608 1.00 0.00 C ATOM 1124 C PRO A 74 -1.677 -17.117 -5.977 1.00 0.00 C ATOM 1125 O PRO A 74 -2.406 -18.103 -6.080 1.00 0.00 O ATOM 1126 CB PRO A 74 -0.895 -17.486 -3.585 1.00 0.00 C ATOM 1127 CG PRO A 74 -2.081 -17.820 -2.695 1.00 0.00 C ATOM 1128 CD PRO A 74 -3.165 -16.788 -2.956 1.00 0.00 C ATOM 0 HA PRO A 74 -0.667 -15.715 -4.800 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -0.508 -18.381 -4.073 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -0.077 -17.061 -3.003 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -2.449 -18.823 -2.910 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -1.786 -17.807 -1.646 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -4.102 -17.263 -3.247 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -3.371 -16.196 -2.064 1.00 0.00 H new ATOM 1136 N ALA A 75 -1.071 -16.523 -6.994 1.00 0.00 N ATOM 1137 CA ALA A 75 -1.233 -17.013 -8.352 1.00 0.00 C ATOM 1138 C ALA A 75 0.062 -17.693 -8.803 1.00 0.00 C ATOM 1139 O ALA A 75 1.003 -17.024 -9.226 1.00 0.00 O ATOM 1140 CB ALA A 75 -1.634 -15.856 -9.269 1.00 0.00 C ATOM 0 H ALA A 75 -0.467 -15.706 -6.905 1.00 0.00 H new ATOM 0 HA ALA A 75 -2.029 -17.756 -8.399 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -1.755 -16.224 -10.288 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -2.575 -15.427 -8.924 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -0.858 -15.091 -9.250 1.00 0.00 H new ATOM 1146 N GLY A 76 0.067 -19.013 -8.697 1.00 0.00 N ATOM 1147 CA GLY A 76 1.231 -19.791 -9.088 1.00 0.00 C ATOM 1148 C GLY A 76 1.532 -20.882 -8.059 1.00 0.00 C ATOM 1149 O GLY A 76 0.624 -21.564 -7.588 1.00 0.00 O ATOM 0 H GLY A 76 -0.716 -19.564 -8.346 1.00 0.00 H new ATOM 0 HA2 GLY A 76 1.059 -20.244 -10.064 1.00 0.00 H new ATOM 0 HA3 GLY A 76 2.095 -19.134 -9.190 1.00 0.00 H new ATOM 1153 N ASP A 77 2.812 -21.013 -7.740 1.00 0.00 N ATOM 1154 CA ASP A 77 3.244 -22.010 -6.776 1.00 0.00 C ATOM 1155 C ASP A 77 4.079 -21.332 -5.687 1.00 0.00 C ATOM 1156 O ASP A 77 3.809 -21.500 -4.499 1.00 0.00 O ATOM 1157 CB ASP A 77 4.114 -23.079 -7.441 1.00 0.00 C ATOM 1158 CG ASP A 77 3.917 -24.498 -6.905 1.00 0.00 C ATOM 1159 OD1 ASP A 77 2.837 -24.741 -6.324 1.00 0.00 O ATOM 1160 OD2 ASP A 77 4.851 -25.309 -7.088 1.00 0.00 O ATOM 0 H ASP A 77 3.563 -20.445 -8.132 1.00 0.00 H new ATOM 0 HA ASP A 77 2.355 -22.479 -6.355 1.00 0.00 H new ATOM 0 HB2 ASP A 77 3.908 -23.079 -8.511 1.00 0.00 H new ATOM 0 HB3 ASP A 77 5.161 -22.802 -7.318 1.00 0.00 H new ATOM 1165 N LEU A 78 5.075 -20.580 -6.132 1.00 0.00 N ATOM 1166 CA LEU A 78 5.950 -19.876 -5.211 1.00 0.00 C ATOM 1167 C LEU A 78 5.106 -19.012 -4.272 1.00 0.00 C ATOM 1168 O LEU A 78 5.477 -18.797 -3.119 1.00 0.00 O ATOM 1169 CB LEU A 78 7.016 -19.091 -5.978 1.00 0.00 C ATOM 1170 CG LEU A 78 7.847 -18.106 -5.154 1.00 0.00 C ATOM 1171 CD1 LEU A 78 9.344 -18.354 -5.348 1.00 0.00 C ATOM 1172 CD2 LEU A 78 7.459 -16.660 -5.473 1.00 0.00 C ATOM 0 H LEU A 78 5.295 -20.443 -7.118 1.00 0.00 H new ATOM 0 HA LEU A 78 6.496 -20.584 -4.588 1.00 0.00 H new ATOM 0 HB2 LEU A 78 7.694 -19.803 -6.449 1.00 0.00 H new ATOM 0 HB3 LEU A 78 6.526 -18.540 -6.780 1.00 0.00 H new ATOM 0 HG LEU A 78 7.628 -18.273 -4.099 1.00 0.00 H new ATOM 0 HD11 LEU A 78 9.911 -17.640 -4.751 1.00 0.00 H new ATOM 0 HD12 LEU A 78 9.589 -19.368 -5.031 1.00 0.00 H new ATOM 0 HD13 LEU A 78 9.600 -18.231 -6.400 1.00 0.00 H new ATOM 0 HD21 LEU A 78 8.065 -15.980 -4.874 1.00 0.00 H new ATOM 0 HD22 LEU A 78 7.631 -16.462 -6.531 1.00 0.00 H new ATOM 0 HD23 LEU A 78 6.405 -16.507 -5.242 1.00 0.00 H new ATOM 1184 N SER A 79 3.987 -18.539 -4.801 1.00 0.00 N ATOM 1185 CA SER A 79 3.088 -17.703 -4.025 1.00 0.00 C ATOM 1186 C SER A 79 2.291 -18.563 -3.041 1.00 0.00 C ATOM 1187 O SER A 79 1.811 -18.066 -2.024 1.00 0.00 O ATOM 1188 CB SER A 79 2.139 -16.922 -4.935 1.00 0.00 C ATOM 1189 OG SER A 79 1.419 -17.778 -5.818 1.00 0.00 O ATOM 0 H SER A 79 3.683 -18.719 -5.758 1.00 0.00 H new ATOM 0 HA SER A 79 3.687 -16.984 -3.467 1.00 0.00 H new ATOM 0 HB2 SER A 79 1.435 -16.357 -4.324 1.00 0.00 H new ATOM 0 HB3 SER A 79 2.709 -16.198 -5.517 1.00 0.00 H new ATOM 0 HG SER A 79 1.840 -17.763 -6.703 1.00 0.00 H new ATOM 1195 N LYS A 80 2.176 -19.839 -3.380 1.00 0.00 N ATOM 1196 CA LYS A 80 1.446 -20.773 -2.539 1.00 0.00 C ATOM 1197 C LYS A 80 2.301 -21.133 -1.322 1.00 0.00 C ATOM 1198 O LYS A 80 1.773 -21.517 -0.280 1.00 0.00 O ATOM 1199 CB LYS A 80 0.995 -21.987 -3.354 1.00 0.00 C ATOM 1200 CG LYS A 80 -0.495 -21.897 -3.692 1.00 0.00 C ATOM 1201 CD LYS A 80 -0.996 -23.203 -4.312 1.00 0.00 C ATOM 1202 CE LYS A 80 -2.516 -23.323 -4.182 1.00 0.00 C ATOM 1203 NZ LYS A 80 -2.912 -24.740 -4.021 1.00 0.00 N ATOM 0 H LYS A 80 2.576 -20.248 -4.225 1.00 0.00 H new ATOM 0 HA LYS A 80 0.533 -20.313 -2.162 1.00 0.00 H new ATOM 0 HB2 LYS A 80 1.577 -22.049 -4.273 1.00 0.00 H new ATOM 0 HB3 LYS A 80 1.190 -22.900 -2.791 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -1.064 -21.677 -2.789 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -0.665 -21.073 -4.384 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -0.713 -23.243 -5.364 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -0.517 -24.050 -3.821 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -2.861 -22.743 -3.326 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -2.997 -22.903 -5.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -3.946 -24.804 -3.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -2.600 -25.284 -4.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -2.468 -25.129 -3.165 1.00 0.00 H new ATOM 1217 N ASN A 81 3.608 -20.996 -1.496 1.00 0.00 N ATOM 1218 CA ASN A 81 4.541 -21.301 -0.425 1.00 0.00 C ATOM 1219 C ASN A 81 4.635 -20.103 0.522 1.00 0.00 C ATOM 1220 O ASN A 81 5.097 -20.236 1.654 1.00 0.00 O ATOM 1221 CB ASN A 81 5.941 -21.580 -0.976 1.00 0.00 C ATOM 1222 CG ASN A 81 6.123 -23.067 -1.284 1.00 0.00 C ATOM 1223 OD1 ASN A 81 5.224 -23.876 -1.122 1.00 0.00 O ATOM 1224 ND2 ASN A 81 7.334 -23.382 -1.735 1.00 0.00 N ATOM 0 H ASN A 81 4.042 -20.678 -2.362 1.00 0.00 H new ATOM 0 HA ASN A 81 4.176 -22.186 0.097 1.00 0.00 H new ATOM 0 HB2 ASN A 81 6.102 -20.995 -1.881 1.00 0.00 H new ATOM 0 HB3 ASN A 81 6.691 -21.261 -0.252 1.00 0.00 H new ATOM 0 HD21 ASN A 81 7.555 -24.350 -1.968 1.00 0.00 H new ATOM 0 HD22 ASN A 81 8.041 -22.656 -1.848 1.00 0.00 H new ATOM 1231 N ALA A 82 4.190 -18.959 0.022 1.00 0.00 N ATOM 1232 CA ALA A 82 4.219 -17.738 0.809 1.00 0.00 C ATOM 1233 C ALA A 82 3.185 -17.836 1.933 1.00 0.00 C ATOM 1234 O ALA A 82 3.463 -17.459 3.071 1.00 0.00 O ATOM 1235 CB ALA A 82 3.973 -16.536 -0.105 1.00 0.00 C ATOM 0 H ALA A 82 3.808 -18.852 -0.918 1.00 0.00 H new ATOM 0 HA ALA A 82 5.197 -17.602 1.271 1.00 0.00 H new ATOM 0 HB1 ALA A 82 3.995 -15.620 0.485 1.00 0.00 H new ATOM 0 HB2 ALA A 82 4.750 -16.494 -0.868 1.00 0.00 H new ATOM 0 HB3 ALA A 82 2.999 -16.636 -0.584 1.00 0.00 H new ATOM 1241 N ALA A 83 2.015 -18.344 1.575 1.00 0.00 N ATOM 1242 CA ALA A 83 0.939 -18.497 2.539 1.00 0.00 C ATOM 1243 C ALA A 83 0.928 -19.935 3.062 1.00 0.00 C ATOM 1244 O ALA A 83 -0.125 -20.461 3.418 1.00 0.00 O ATOM 1245 CB ALA A 83 -0.389 -18.102 1.889 1.00 0.00 C ATOM 0 H ALA A 83 1.789 -18.655 0.630 1.00 0.00 H new ATOM 0 HA ALA A 83 1.093 -17.838 3.393 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.196 -18.217 2.612 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -0.339 -17.063 1.562 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -0.578 -18.744 1.029 1.00 0.00 H new ATOM 1251 N ASP A 84 2.112 -20.529 3.090 1.00 0.00 N ATOM 1252 CA ASP A 84 2.252 -21.896 3.563 1.00 0.00 C ATOM 1253 C ASP A 84 2.578 -21.883 5.058 1.00 0.00 C ATOM 1254 O ASP A 84 1.798 -22.375 5.872 1.00 0.00 O ATOM 1255 CB ASP A 84 3.389 -22.616 2.837 1.00 0.00 C ATOM 1256 CG ASP A 84 3.032 -23.997 2.285 1.00 0.00 C ATOM 1257 OD1 ASP A 84 2.176 -24.041 1.375 1.00 0.00 O ATOM 1258 OD2 ASP A 84 3.623 -24.979 2.785 1.00 0.00 O ATOM 0 H ASP A 84 2.983 -20.089 2.793 1.00 0.00 H new ATOM 0 HA ASP A 84 1.314 -22.417 3.370 1.00 0.00 H new ATOM 0 HB2 ASP A 84 3.728 -21.989 2.013 1.00 0.00 H new ATOM 0 HB3 ASP A 84 4.229 -22.722 3.524 1.00 0.00 H new ATOM 1263 N GLY A 85 3.732 -21.314 5.374 1.00 0.00 N ATOM 1264 CA GLY A 85 4.172 -21.231 6.757 1.00 0.00 C ATOM 1265 C GLY A 85 5.687 -21.039 6.840 1.00 0.00 C ATOM 1266 O GLY A 85 6.351 -21.665 7.665 1.00 0.00 O ATOM 0 H GLY A 85 4.376 -20.906 4.696 1.00 0.00 H new ATOM 0 HA2 GLY A 85 3.669 -20.401 7.253 1.00 0.00 H new ATOM 0 HA3 GLY A 85 3.887 -22.139 7.288 1.00 0.00 H new ATOM 1270 N ILE A 86 6.190 -20.172 5.974 1.00 0.00 N ATOM 1271 CA ILE A 86 7.615 -19.890 5.939 1.00 0.00 C ATOM 1272 C ILE A 86 8.050 -19.316 7.288 1.00 0.00 C ATOM 1273 O ILE A 86 8.593 -20.034 8.127 1.00 0.00 O ATOM 1274 CB ILE A 86 7.955 -18.990 4.749 1.00 0.00 C ATOM 1275 CG1 ILE A 86 7.990 -19.793 3.447 1.00 0.00 C ATOM 1276 CG2 ILE A 86 9.261 -18.232 4.991 1.00 0.00 C ATOM 1277 CD1 ILE A 86 7.658 -18.905 2.246 1.00 0.00 C ATOM 0 H ILE A 86 5.636 -19.655 5.291 1.00 0.00 H new ATOM 0 HA ILE A 86 8.181 -20.809 5.785 1.00 0.00 H new ATOM 0 HB ILE A 86 7.165 -18.246 4.647 1.00 0.00 H new ATOM 0 HG12 ILE A 86 8.977 -20.235 3.315 1.00 0.00 H new ATOM 0 HG13 ILE A 86 7.277 -20.616 3.504 1.00 0.00 H new ATOM 0 HG21 ILE A 86 9.480 -17.600 4.130 1.00 0.00 H new ATOM 0 HG22 ILE A 86 9.162 -17.611 5.881 1.00 0.00 H new ATOM 0 HG23 ILE A 86 10.074 -18.944 5.134 1.00 0.00 H new ATOM 0 HD11 ILE A 86 7.690 -19.500 1.333 1.00 0.00 H new ATOM 0 HD12 ILE A 86 6.660 -18.484 2.370 1.00 0.00 H new ATOM 0 HD13 ILE A 86 8.387 -18.098 2.178 1.00 0.00 H new ATOM 1289 N ALA A 87 7.796 -18.026 7.456 1.00 0.00 N ATOM 1290 CA ALA A 87 8.155 -17.347 8.690 1.00 0.00 C ATOM 1291 C ALA A 87 6.976 -16.490 9.156 1.00 0.00 C ATOM 1292 O ALA A 87 5.823 -16.906 9.055 1.00 0.00 O ATOM 1293 CB ALA A 87 9.424 -16.522 8.468 1.00 0.00 C ATOM 0 H ALA A 87 7.346 -17.433 6.758 1.00 0.00 H new ATOM 0 HA ALA A 87 8.370 -18.069 9.478 1.00 0.00 H new ATOM 0 HB1 ALA A 87 9.693 -16.013 9.393 1.00 0.00 H new ATOM 0 HB2 ALA A 87 10.238 -17.181 8.166 1.00 0.00 H new ATOM 0 HB3 ALA A 87 9.246 -15.784 7.686 1.00 0.00 H new ATOM 1299 N GLU A 88 7.307 -15.308 9.656 1.00 0.00 N ATOM 1300 CA GLU A 88 6.290 -14.389 10.138 1.00 0.00 C ATOM 1301 C GLU A 88 5.875 -13.425 9.024 1.00 0.00 C ATOM 1302 O GLU A 88 5.131 -12.476 9.265 1.00 0.00 O ATOM 1303 CB GLU A 88 6.782 -13.625 11.369 1.00 0.00 C ATOM 1304 CG GLU A 88 5.754 -13.690 12.501 1.00 0.00 C ATOM 1305 CD GLU A 88 5.886 -12.483 13.432 1.00 0.00 C ATOM 1306 OE1 GLU A 88 6.825 -12.503 14.257 1.00 0.00 O ATOM 1307 OE2 GLU A 88 5.045 -11.568 13.297 1.00 0.00 O ATOM 0 H GLU A 88 8.265 -14.966 9.738 1.00 0.00 H new ATOM 0 HA GLU A 88 5.416 -14.968 10.435 1.00 0.00 H new ATOM 0 HB2 GLU A 88 7.729 -14.045 11.708 1.00 0.00 H new ATOM 0 HB3 GLU A 88 6.972 -12.585 11.104 1.00 0.00 H new ATOM 0 HG2 GLU A 88 4.748 -13.722 12.082 1.00 0.00 H new ATOM 0 HG3 GLU A 88 5.892 -14.609 13.070 1.00 0.00 H new ATOM 1314 N ASN A 89 6.374 -13.703 7.829 1.00 0.00 N ATOM 1315 CA ASN A 89 6.065 -12.872 6.677 1.00 0.00 C ATOM 1316 C ASN A 89 5.740 -13.768 5.480 1.00 0.00 C ATOM 1317 O ASN A 89 6.634 -14.381 4.899 1.00 0.00 O ATOM 1318 CB ASN A 89 7.256 -11.990 6.298 1.00 0.00 C ATOM 1319 CG ASN A 89 7.374 -10.793 7.243 1.00 0.00 C ATOM 1320 OD1 ASN A 89 7.008 -10.848 8.406 1.00 0.00 O ATOM 1321 ND2 ASN A 89 7.905 -9.711 6.681 1.00 0.00 N ATOM 0 H ASN A 89 6.990 -14.492 7.633 1.00 0.00 H new ATOM 0 HA ASN A 89 5.216 -12.239 6.936 1.00 0.00 H new ATOM 0 HB2 ASN A 89 8.174 -12.577 6.333 1.00 0.00 H new ATOM 0 HB3 ASN A 89 7.141 -11.639 5.273 1.00 0.00 H new ATOM 0 HD21 ASN A 89 8.027 -8.859 7.229 1.00 0.00 H new ATOM 0 HD22 ASN A 89 8.190 -9.733 5.702 1.00 0.00 H new ATOM 1328 N PRO A 90 4.424 -13.818 5.140 1.00 0.00 N ATOM 1329 CA PRO A 90 3.970 -14.628 4.023 1.00 0.00 C ATOM 1330 C PRO A 90 4.327 -13.972 2.688 1.00 0.00 C ATOM 1331 O PRO A 90 4.742 -14.650 1.749 1.00 0.00 O ATOM 1332 CB PRO A 90 2.472 -14.779 4.229 1.00 0.00 C ATOM 1333 CG PRO A 90 2.070 -13.669 5.186 1.00 0.00 C ATOM 1334 CD PRO A 90 3.338 -13.105 5.806 1.00 0.00 C ATOM 0 HA PRO A 90 4.454 -15.604 3.988 1.00 0.00 H new ATOM 0 HB2 PRO A 90 1.937 -14.692 3.283 1.00 0.00 H new ATOM 0 HB3 PRO A 90 2.231 -15.758 4.643 1.00 0.00 H new ATOM 0 HG2 PRO A 90 1.524 -12.888 4.657 1.00 0.00 H new ATOM 0 HG3 PRO A 90 1.406 -14.054 5.960 1.00 0.00 H new ATOM 0 HD2 PRO A 90 3.413 -12.030 5.645 1.00 0.00 H new ATOM 0 HD3 PRO A 90 3.359 -13.269 6.883 1.00 0.00 H new ATOM 1342 N PHE A 91 4.153 -12.659 2.645 1.00 0.00 N ATOM 1343 CA PHE A 91 4.451 -11.903 1.440 1.00 0.00 C ATOM 1344 C PHE A 91 5.936 -12.003 1.084 1.00 0.00 C ATOM 1345 O PHE A 91 6.782 -12.134 1.967 1.00 0.00 O ATOM 1346 CB PHE A 91 4.107 -10.441 1.733 1.00 0.00 C ATOM 1347 CG PHE A 91 3.640 -9.655 0.506 1.00 0.00 C ATOM 1348 CD1 PHE A 91 2.380 -9.830 0.025 1.00 0.00 C ATOM 1349 CD2 PHE A 91 4.484 -8.780 -0.103 1.00 0.00 C ATOM 1350 CE1 PHE A 91 1.946 -9.100 -1.113 1.00 0.00 C ATOM 1351 CE2 PHE A 91 4.051 -8.050 -1.241 1.00 0.00 C ATOM 1352 CZ PHE A 91 2.791 -8.226 -1.722 1.00 0.00 C ATOM 0 H PHE A 91 3.809 -12.099 3.425 1.00 0.00 H new ATOM 0 HA PHE A 91 3.876 -12.297 0.602 1.00 0.00 H new ATOM 0 HB2 PHE A 91 3.326 -10.407 2.493 1.00 0.00 H new ATOM 0 HB3 PHE A 91 4.984 -9.949 2.155 1.00 0.00 H new ATOM 0 HD1 PHE A 91 1.709 -10.525 0.509 1.00 0.00 H new ATOM 0 HD2 PHE A 91 5.484 -8.640 0.279 1.00 0.00 H new ATOM 0 HE1 PHE A 91 0.945 -9.239 -1.495 1.00 0.00 H new ATOM 0 HE2 PHE A 91 4.722 -7.355 -1.725 1.00 0.00 H new ATOM 0 HZ PHE A 91 2.462 -7.671 -2.588 1.00 0.00 H new ATOM 1362 N LEU A 92 6.206 -11.938 -0.211 1.00 0.00 N ATOM 1363 CA LEU A 92 7.574 -12.020 -0.695 1.00 0.00 C ATOM 1364 C LEU A 92 7.874 -10.801 -1.569 1.00 0.00 C ATOM 1365 O LEU A 92 7.329 -10.667 -2.664 1.00 0.00 O ATOM 1366 CB LEU A 92 7.813 -13.356 -1.401 1.00 0.00 C ATOM 1367 CG LEU A 92 7.313 -14.602 -0.666 1.00 0.00 C ATOM 1368 CD1 LEU A 92 7.369 -15.833 -1.573 1.00 0.00 C ATOM 1369 CD2 LEU A 92 8.084 -14.815 0.638 1.00 0.00 C ATOM 0 H LEU A 92 5.501 -11.830 -0.940 1.00 0.00 H new ATOM 0 HA LEU A 92 8.276 -11.996 0.139 1.00 0.00 H new ATOM 0 HB2 LEU A 92 7.333 -13.318 -2.379 1.00 0.00 H new ATOM 0 HB3 LEU A 92 8.883 -13.466 -1.575 1.00 0.00 H new ATOM 0 HG LEU A 92 6.268 -14.446 -0.400 1.00 0.00 H new ATOM 0 HD11 LEU A 92 7.008 -16.704 -1.026 1.00 0.00 H new ATOM 0 HD12 LEU A 92 6.741 -15.669 -2.449 1.00 0.00 H new ATOM 0 HD13 LEU A 92 8.397 -16.004 -1.891 1.00 0.00 H new ATOM 0 HD21 LEU A 92 7.709 -15.707 1.141 1.00 0.00 H new ATOM 0 HD22 LEU A 92 9.144 -14.941 0.418 1.00 0.00 H new ATOM 0 HD23 LEU A 92 7.949 -13.949 1.286 1.00 0.00 H new ATOM 1381 N ASP A 93 8.742 -9.942 -1.053 1.00 0.00 N ATOM 1382 CA ASP A 93 9.122 -8.739 -1.773 1.00 0.00 C ATOM 1383 C ASP A 93 9.965 -9.122 -2.991 1.00 0.00 C ATOM 1384 O ASP A 93 11.139 -8.765 -3.075 1.00 0.00 O ATOM 1385 CB ASP A 93 9.959 -7.811 -0.891 1.00 0.00 C ATOM 1386 CG ASP A 93 10.607 -6.633 -1.623 1.00 0.00 C ATOM 1387 OD1 ASP A 93 9.931 -6.080 -2.517 1.00 0.00 O ATOM 1388 OD2 ASP A 93 11.763 -6.313 -1.272 1.00 0.00 O ATOM 0 H ASP A 93 9.192 -10.056 -0.145 1.00 0.00 H new ATOM 0 HA ASP A 93 8.210 -8.224 -2.074 1.00 0.00 H new ATOM 0 HB2 ASP A 93 9.324 -7.420 -0.096 1.00 0.00 H new ATOM 0 HB3 ASP A 93 10.743 -8.398 -0.413 1.00 0.00 H new ATOM 1393 N SER A 94 9.333 -9.845 -3.904 1.00 0.00 N ATOM 1394 CA SER A 94 10.011 -10.281 -5.113 1.00 0.00 C ATOM 1395 C SER A 94 9.114 -10.045 -6.330 1.00 0.00 C ATOM 1396 O SER A 94 7.893 -10.171 -6.240 1.00 0.00 O ATOM 1397 CB SER A 94 10.404 -11.757 -5.023 1.00 0.00 C ATOM 1398 OG SER A 94 11.538 -12.058 -5.831 1.00 0.00 O ATOM 0 H SER A 94 8.359 -10.140 -3.831 1.00 0.00 H new ATOM 0 HA SER A 94 10.924 -9.696 -5.223 1.00 0.00 H new ATOM 0 HB2 SER A 94 10.620 -12.012 -3.986 1.00 0.00 H new ATOM 0 HB3 SER A 94 9.562 -12.376 -5.334 1.00 0.00 H new ATOM 0 HG SER A 94 11.758 -13.009 -5.745 1.00 0.00 H new ATOM 1404 N PRO A 95 9.770 -9.697 -7.469 1.00 0.00 N ATOM 1405 CA PRO A 95 9.045 -9.442 -8.702 1.00 0.00 C ATOM 1406 C PRO A 95 8.565 -10.749 -9.337 1.00 0.00 C ATOM 1407 O PRO A 95 7.865 -10.732 -10.348 1.00 0.00 O ATOM 1408 CB PRO A 95 10.022 -8.678 -9.582 1.00 0.00 C ATOM 1409 CG PRO A 95 11.400 -8.938 -8.997 1.00 0.00 C ATOM 1410 CD PRO A 95 11.214 -9.538 -7.613 1.00 0.00 C ATOM 0 HA PRO A 95 8.135 -8.863 -8.543 1.00 0.00 H new ATOM 0 HB2 PRO A 95 9.966 -9.019 -10.616 1.00 0.00 H new ATOM 0 HB3 PRO A 95 9.794 -7.612 -9.585 1.00 0.00 H new ATOM 0 HG2 PRO A 95 11.963 -9.619 -9.635 1.00 0.00 H new ATOM 0 HG3 PRO A 95 11.970 -8.011 -8.938 1.00 0.00 H new ATOM 0 HD2 PRO A 95 11.729 -10.495 -7.524 1.00 0.00 H new ATOM 0 HD3 PRO A 95 11.619 -8.885 -6.840 1.00 0.00 H new ATOM 1418 N ASP A 96 8.961 -11.851 -8.717 1.00 0.00 N ATOM 1419 CA ASP A 96 8.580 -13.164 -9.208 1.00 0.00 C ATOM 1420 C ASP A 96 7.213 -13.542 -8.634 1.00 0.00 C ATOM 1421 O ASP A 96 6.292 -13.869 -9.380 1.00 0.00 O ATOM 1422 CB ASP A 96 9.587 -14.229 -8.770 1.00 0.00 C ATOM 1423 CG ASP A 96 10.721 -14.494 -9.762 1.00 0.00 C ATOM 1424 OD1 ASP A 96 10.477 -14.290 -10.971 1.00 0.00 O ATOM 1425 OD2 ASP A 96 11.807 -14.895 -9.289 1.00 0.00 O ATOM 0 H ASP A 96 9.542 -11.861 -7.879 1.00 0.00 H new ATOM 0 HA ASP A 96 8.550 -13.121 -10.297 1.00 0.00 H new ATOM 0 HB2 ASP A 96 10.021 -13.927 -7.817 1.00 0.00 H new ATOM 0 HB3 ASP A 96 9.052 -15.163 -8.595 1.00 0.00 H new ATOM 1430 N ALA A 97 7.125 -13.483 -7.313 1.00 0.00 N ATOM 1431 CA ALA A 97 5.885 -13.815 -6.631 1.00 0.00 C ATOM 1432 C ALA A 97 4.744 -12.987 -7.225 1.00 0.00 C ATOM 1433 O ALA A 97 4.800 -11.758 -7.229 1.00 0.00 O ATOM 1434 CB ALA A 97 6.052 -13.584 -5.128 1.00 0.00 C ATOM 0 H ALA A 97 7.891 -13.211 -6.697 1.00 0.00 H new ATOM 0 HA ALA A 97 5.638 -14.867 -6.774 1.00 0.00 H new ATOM 0 HB1 ALA A 97 5.122 -13.833 -4.616 1.00 0.00 H new ATOM 0 HB2 ALA A 97 6.855 -14.217 -4.750 1.00 0.00 H new ATOM 0 HB3 ALA A 97 6.298 -12.538 -4.946 1.00 0.00 H new ATOM 1440 N PHE A 98 3.735 -13.694 -7.713 1.00 0.00 N ATOM 1441 CA PHE A 98 2.582 -13.040 -8.309 1.00 0.00 C ATOM 1442 C PHE A 98 1.346 -13.190 -7.419 1.00 0.00 C ATOM 1443 O PHE A 98 1.255 -14.130 -6.631 1.00 0.00 O ATOM 1444 CB PHE A 98 2.318 -13.730 -9.648 1.00 0.00 C ATOM 1445 CG PHE A 98 3.571 -13.924 -10.505 1.00 0.00 C ATOM 1446 CD1 PHE A 98 4.275 -12.843 -10.935 1.00 0.00 C ATOM 1447 CD2 PHE A 98 3.979 -15.178 -10.838 1.00 0.00 C ATOM 1448 CE1 PHE A 98 5.438 -13.024 -11.730 1.00 0.00 C ATOM 1449 CE2 PHE A 98 5.142 -15.359 -11.633 1.00 0.00 C ATOM 1450 CZ PHE A 98 5.846 -14.277 -12.063 1.00 0.00 C ATOM 0 H PHE A 98 3.692 -14.713 -7.708 1.00 0.00 H new ATOM 0 HA PHE A 98 2.781 -11.975 -8.433 1.00 0.00 H new ATOM 0 HB2 PHE A 98 1.864 -14.703 -9.461 1.00 0.00 H new ATOM 0 HB3 PHE A 98 1.592 -13.143 -10.211 1.00 0.00 H new ATOM 0 HD1 PHE A 98 3.950 -11.847 -10.672 1.00 0.00 H new ATOM 0 HD2 PHE A 98 3.419 -16.036 -10.498 1.00 0.00 H new ATOM 0 HE1 PHE A 98 5.998 -12.166 -12.070 1.00 0.00 H new ATOM 0 HE2 PHE A 98 5.467 -16.355 -11.896 1.00 0.00 H new ATOM 0 HZ PHE A 98 6.729 -14.414 -12.669 1.00 0.00 H new ATOM 1460 N TYR A 99 0.426 -12.250 -7.575 1.00 0.00 N ATOM 1461 CA TYR A 99 -0.800 -12.265 -6.796 1.00 0.00 C ATOM 1462 C TYR A 99 -1.929 -11.545 -7.536 1.00 0.00 C ATOM 1463 O TYR A 99 -1.679 -10.788 -8.472 1.00 0.00 O ATOM 1464 CB TYR A 99 -0.488 -11.508 -5.504 1.00 0.00 C ATOM 1465 CG TYR A 99 0.552 -12.194 -4.616 1.00 0.00 C ATOM 1466 CD1 TYR A 99 0.177 -13.237 -3.794 1.00 0.00 C ATOM 1467 CD2 TYR A 99 1.865 -11.769 -4.637 1.00 0.00 C ATOM 1468 CE1 TYR A 99 1.156 -13.882 -2.958 1.00 0.00 C ATOM 1469 CE2 TYR A 99 2.844 -12.415 -3.801 1.00 0.00 C ATOM 1470 CZ TYR A 99 2.441 -13.439 -3.003 1.00 0.00 C ATOM 1471 OH TYR A 99 3.366 -14.049 -2.213 1.00 0.00 O ATOM 0 H TYR A 99 0.505 -11.472 -8.230 1.00 0.00 H new ATOM 0 HA TYR A 99 -1.125 -13.289 -6.612 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -0.132 -10.509 -5.757 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -1.410 -11.384 -4.936 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -0.850 -13.569 -3.778 1.00 0.00 H new ATOM 0 HD2 TYR A 99 2.158 -10.952 -5.280 1.00 0.00 H new ATOM 0 HE1 TYR A 99 0.876 -14.699 -2.310 1.00 0.00 H new ATOM 0 HE2 TYR A 99 3.875 -12.093 -3.808 1.00 0.00 H new ATOM 0 HH TYR A 99 4.241 -13.629 -2.350 1.00 0.00 H new ATOM 1481 N TYR A 100 -3.148 -11.807 -7.087 1.00 0.00 N ATOM 1482 CA TYR A 100 -4.317 -11.193 -7.695 1.00 0.00 C ATOM 1483 C TYR A 100 -5.445 -11.033 -6.674 1.00 0.00 C ATOM 1484 O TYR A 100 -5.439 -11.682 -5.630 1.00 0.00 O ATOM 1485 CB TYR A 100 -4.773 -12.153 -8.796 1.00 0.00 C ATOM 1486 CG TYR A 100 -5.259 -13.508 -8.278 1.00 0.00 C ATOM 1487 CD1 TYR A 100 -4.352 -14.424 -7.785 1.00 0.00 C ATOM 1488 CD2 TYR A 100 -6.604 -13.814 -8.303 1.00 0.00 C ATOM 1489 CE1 TYR A 100 -4.809 -15.699 -7.297 1.00 0.00 C ATOM 1490 CE2 TYR A 100 -7.062 -15.089 -7.816 1.00 0.00 C ATOM 1491 CZ TYR A 100 -6.141 -15.969 -7.337 1.00 0.00 C ATOM 1492 OH TYR A 100 -6.573 -17.174 -6.877 1.00 0.00 O ATOM 0 H TYR A 100 -3.352 -12.436 -6.310 1.00 0.00 H new ATOM 0 HA TYR A 100 -4.075 -10.202 -8.079 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -5.576 -11.683 -9.364 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -3.946 -12.315 -9.488 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -3.299 -14.184 -7.765 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -7.314 -13.097 -8.688 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -4.110 -16.424 -6.908 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -8.112 -15.341 -7.830 1.00 0.00 H new ATOM 0 HH TYR A 100 -7.547 -17.228 -6.966 1.00 0.00 H new ATOM 1502 N PHE A 101 -6.388 -10.165 -7.013 1.00 0.00 N ATOM 1503 CA PHE A 101 -7.520 -9.912 -6.139 1.00 0.00 C ATOM 1504 C PHE A 101 -8.622 -10.951 -6.354 1.00 0.00 C ATOM 1505 O PHE A 101 -8.907 -11.334 -7.488 1.00 0.00 O ATOM 1506 CB PHE A 101 -8.064 -8.528 -6.501 1.00 0.00 C ATOM 1507 CG PHE A 101 -6.984 -7.452 -6.640 1.00 0.00 C ATOM 1508 CD1 PHE A 101 -6.044 -7.303 -5.669 1.00 0.00 C ATOM 1509 CD2 PHE A 101 -6.966 -6.645 -7.734 1.00 0.00 C ATOM 1510 CE1 PHE A 101 -5.042 -6.305 -5.797 1.00 0.00 C ATOM 1511 CE2 PHE A 101 -5.964 -5.647 -7.863 1.00 0.00 C ATOM 1512 CZ PHE A 101 -5.024 -5.498 -6.891 1.00 0.00 C ATOM 0 H PHE A 101 -6.391 -9.629 -7.881 1.00 0.00 H new ATOM 0 HA PHE A 101 -7.205 -9.966 -5.097 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -8.615 -8.599 -7.439 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -8.776 -8.217 -5.736 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -6.059 -7.944 -4.800 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -7.713 -6.763 -8.505 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -4.295 -6.187 -5.026 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -5.948 -5.007 -8.732 1.00 0.00 H new ATOM 0 HZ PHE A 101 -4.263 -4.738 -6.988 1.00 0.00 H new ATOM 1522 N PRO A 102 -9.228 -11.390 -5.218 1.00 0.00 N ATOM 1523 CA PRO A 102 -10.292 -12.378 -5.272 1.00 0.00 C ATOM 1524 C PRO A 102 -11.597 -11.752 -5.766 1.00 0.00 C ATOM 1525 O PRO A 102 -12.536 -11.572 -4.992 1.00 0.00 O ATOM 1526 CB PRO A 102 -10.394 -12.923 -3.856 1.00 0.00 C ATOM 1527 CG PRO A 102 -9.709 -11.900 -2.965 1.00 0.00 C ATOM 1528 CD PRO A 102 -8.916 -10.960 -3.859 1.00 0.00 C ATOM 0 HA PRO A 102 -10.086 -13.180 -5.980 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -11.435 -13.060 -3.564 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -9.910 -13.896 -3.776 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -10.446 -11.344 -2.385 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -9.050 -12.395 -2.252 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -9.204 -9.922 -3.696 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -7.847 -11.029 -3.657 1.00 0.00 H new ATOM 1536 N ASP A 103 -11.615 -11.438 -7.053 1.00 0.00 N ATOM 1537 CA ASP A 103 -12.789 -10.835 -7.661 1.00 0.00 C ATOM 1538 C ASP A 103 -12.492 -10.512 -9.126 1.00 0.00 C ATOM 1539 O ASP A 103 -13.329 -10.740 -9.998 1.00 0.00 O ATOM 1540 CB ASP A 103 -13.166 -9.530 -6.956 1.00 0.00 C ATOM 1541 CG ASP A 103 -12.015 -8.538 -6.775 1.00 0.00 C ATOM 1542 OD1 ASP A 103 -11.052 -8.908 -6.070 1.00 0.00 O ATOM 1543 OD2 ASP A 103 -12.125 -7.431 -7.346 1.00 0.00 O ATOM 0 H ASP A 103 -10.835 -11.590 -7.692 1.00 0.00 H new ATOM 0 HA ASP A 103 -13.613 -11.543 -7.575 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -13.959 -9.044 -7.524 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -13.577 -9.770 -5.975 1.00 0.00 H new ATOM 1548 N SER A 104 -11.296 -9.988 -9.352 1.00 0.00 N ATOM 1549 CA SER A 104 -10.878 -9.631 -10.697 1.00 0.00 C ATOM 1550 C SER A 104 -10.081 -10.780 -11.319 1.00 0.00 C ATOM 1551 O SER A 104 -10.572 -11.467 -12.214 1.00 0.00 O ATOM 1552 CB SER A 104 -10.044 -8.349 -10.693 1.00 0.00 C ATOM 1553 OG SER A 104 -9.871 -7.819 -12.005 1.00 0.00 O ATOM 0 H SER A 104 -10.604 -9.802 -8.627 1.00 0.00 H new ATOM 0 HA SER A 104 -11.771 -9.450 -11.296 1.00 0.00 H new ATOM 0 HB2 SER A 104 -10.528 -7.604 -10.062 1.00 0.00 H new ATOM 0 HB3 SER A 104 -9.068 -8.553 -10.253 1.00 0.00 H new ATOM 0 HG SER A 104 -8.944 -7.955 -12.293 1.00 0.00 H new