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 36 THR OG1 : rot 160:sc= 0 USER MOD Set 1.2: A 65 HIS : no HD1:sc= -2.29! C(o=-2.3!,f=-2.1!) USER MOD Set 2.1: A 52 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 29 SER OG : rot -17:sc= 0.0491 USER MOD Set 3.2: A 70 THR OG1 : rot 180:sc= 0.0496 USER MOD Single : A 15 SER OG : rot 180:sc=-0.00913 USER MOD Single : A 17 TYR OH : rot 180:sc= -0.0722 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 162:sc= 0.186 USER MOD Single : A 30 SER OG : rot 45:sc= 0.483 USER MOD Single : A 35 ASN : amide:sc= -0.0752 X(o=-0.075,f=-0.38) USER MOD Single : A 38 ASN : amide:sc= -0.736 K(o=-0.74,f=0) USER MOD Single : A 41 SER OG : rot -3:sc= 1.11 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= -1.78! USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -0.098 K(o=-0.098,f=-2.1!) USER MOD Single : A 58 CYS SG : rot 34:sc= 0.152 USER MOD Single : A 61 CYS SG : rot 26:sc= -3.79! USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 174:sc= 0.00404 USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 TYR OH : rot -20:sc= 1.11 USER MOD Single : A 82 LYS NZ :NH3+ 165:sc= 1.29 (180deg=1.09) USER MOD Single : A 83 TYR OH : rot -39:sc= 0.0205 USER MOD Single : A 87 GLN : amide:sc= -0.123 X(o=-0.12,f=-0.25) USER MOD Single : A 88 HIS : no HD1:sc= -1.12 K(o=-1.1,f=-2!) USER MOD Single : A 92 SER OG : rot -11:sc= 1.16 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 83 N ASP A 10 7.517 -17.140 1.376 1.00 0.00 N ATOM 84 CA ASP A 10 6.416 -17.424 2.289 1.00 0.00 C ATOM 85 C ASP A 10 5.678 -16.143 2.665 1.00 0.00 C ATOM 86 O ASP A 10 6.239 -15.228 3.268 1.00 0.00 O ATOM 87 CB ASP A 10 6.936 -18.117 3.549 1.00 0.00 C ATOM 88 CG ASP A 10 7.018 -19.623 3.391 1.00 0.00 C ATOM 89 OD1 ASP A 10 5.954 -20.278 3.391 1.00 0.00 O ATOM 90 OD2 ASP A 10 8.145 -20.145 3.265 1.00 0.00 O ATOM 0 HA ASP A 10 5.717 -18.089 1.781 1.00 0.00 H new ATOM 0 HB2 ASP A 10 7.924 -17.726 3.793 1.00 0.00 H new ATOM 0 HB3 ASP A 10 6.282 -17.878 4.388 1.00 0.00 H new ATOM 95 N PRO A 11 4.389 -16.074 2.301 1.00 0.00 N ATOM 96 CA PRO A 11 3.546 -14.910 2.590 1.00 0.00 C ATOM 97 C PRO A 11 3.235 -14.773 4.076 1.00 0.00 C ATOM 98 O PRO A 11 3.089 -13.666 4.591 1.00 0.00 O ATOM 99 CB PRO A 11 2.266 -15.194 1.799 1.00 0.00 C ATOM 100 CG PRO A 11 2.222 -16.677 1.669 1.00 0.00 C ATOM 101 CD PRO A 11 3.654 -17.127 1.580 1.00 0.00 C ATOM 0 HA PRO A 11 4.035 -13.975 2.316 1.00 0.00 H new ATOM 0 HB2 PRO A 11 1.386 -14.816 2.320 1.00 0.00 H new ATOM 0 HB3 PRO A 11 2.289 -14.711 0.822 1.00 0.00 H new ATOM 0 HG2 PRO A 11 1.723 -17.129 2.526 1.00 0.00 H new ATOM 0 HG3 PRO A 11 1.663 -16.975 0.782 1.00 0.00 H new ATOM 0 HD2 PRO A 11 3.797 -18.104 2.041 1.00 0.00 H new ATOM 0 HD3 PRO A 11 3.985 -17.211 0.545 1.00 0.00 H new ATOM 109 N GLY A 12 3.136 -15.908 4.762 1.00 0.00 N ATOM 110 CA GLY A 12 2.843 -15.893 6.183 1.00 0.00 C ATOM 111 C GLY A 12 3.892 -15.145 6.983 1.00 0.00 C ATOM 112 O GLY A 12 3.657 -14.771 8.133 1.00 0.00 O ATOM 0 H GLY A 12 3.254 -16.837 4.359 1.00 0.00 H new ATOM 0 HA2 GLY A 12 1.869 -15.431 6.345 1.00 0.00 H new ATOM 0 HA3 GLY A 12 2.775 -16.918 6.548 1.00 0.00 H new ATOM 116 N LEU A 13 5.052 -14.927 6.375 1.00 0.00 N ATOM 117 CA LEU A 13 6.143 -14.220 7.039 1.00 0.00 C ATOM 118 C LEU A 13 6.298 -12.810 6.478 1.00 0.00 C ATOM 119 O LEU A 13 7.342 -12.178 6.639 1.00 0.00 O ATOM 120 CB LEU A 13 7.452 -14.993 6.876 1.00 0.00 C ATOM 121 CG LEU A 13 7.390 -16.490 7.180 1.00 0.00 C ATOM 122 CD1 LEU A 13 8.779 -17.106 7.115 1.00 0.00 C ATOM 123 CD2 LEU A 13 6.761 -16.731 8.545 1.00 0.00 C ATOM 0 H LEU A 13 5.262 -15.229 5.424 1.00 0.00 H new ATOM 0 HA LEU A 13 5.903 -14.145 8.100 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.801 -14.865 5.851 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.201 -14.541 7.527 1.00 0.00 H new ATOM 0 HG LEU A 13 6.767 -16.969 6.425 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.715 -18.172 7.334 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.193 -16.965 6.117 1.00 0.00 H new ATOM 0 HD13 LEU A 13 9.426 -16.623 7.848 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.725 -17.802 8.745 1.00 0.00 H new ATOM 0 HD22 LEU A 13 7.358 -16.238 9.313 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.749 -16.325 8.556 1.00 0.00 H new ATOM 135 N VAL A 14 5.251 -12.321 5.821 1.00 0.00 N ATOM 136 CA VAL A 14 5.269 -10.984 5.240 1.00 0.00 C ATOM 137 C VAL A 14 4.091 -10.153 5.734 1.00 0.00 C ATOM 138 O VAL A 14 2.935 -10.556 5.600 1.00 0.00 O ATOM 139 CB VAL A 14 5.234 -11.041 3.701 1.00 0.00 C ATOM 140 CG1 VAL A 14 5.043 -9.648 3.119 1.00 0.00 C ATOM 141 CG2 VAL A 14 6.504 -11.682 3.162 1.00 0.00 C ATOM 0 H VAL A 14 4.379 -12.831 5.678 1.00 0.00 H new ATOM 0 HA VAL A 14 6.199 -10.513 5.558 1.00 0.00 H new ATOM 0 HB VAL A 14 4.387 -11.656 3.397 1.00 0.00 H new ATOM 0 HG11 VAL A 14 5.021 -9.708 2.031 1.00 0.00 H new ATOM 0 HG12 VAL A 14 4.103 -9.229 3.479 1.00 0.00 H new ATOM 0 HG13 VAL A 14 5.868 -9.007 3.430 1.00 0.00 H new ATOM 0 HG21 VAL A 14 6.462 -11.714 2.073 1.00 0.00 H new ATOM 0 HG22 VAL A 14 7.368 -11.096 3.475 1.00 0.00 H new ATOM 0 HG23 VAL A 14 6.593 -12.696 3.551 1.00 0.00 H new ATOM 151 N SER A 15 4.391 -8.991 6.305 1.00 0.00 N ATOM 152 CA SER A 15 3.356 -8.104 6.823 1.00 0.00 C ATOM 153 C SER A 15 3.625 -6.659 6.415 1.00 0.00 C ATOM 154 O SER A 15 4.703 -6.334 5.918 1.00 0.00 O ATOM 155 CB SER A 15 3.279 -8.210 8.347 1.00 0.00 C ATOM 156 OG SER A 15 2.087 -7.623 8.840 1.00 0.00 O ATOM 0 H SER A 15 5.342 -8.642 6.421 1.00 0.00 H new ATOM 0 HA SER A 15 2.401 -8.412 6.396 1.00 0.00 H new ATOM 0 HB2 SER A 15 3.322 -9.258 8.644 1.00 0.00 H new ATOM 0 HB3 SER A 15 4.142 -7.716 8.793 1.00 0.00 H new ATOM 0 HG SER A 15 2.061 -7.705 9.816 1.00 0.00 H new ATOM 162 N ALA A 16 2.637 -5.796 6.630 1.00 0.00 N ATOM 163 CA ALA A 16 2.767 -4.385 6.288 1.00 0.00 C ATOM 164 C ALA A 16 2.281 -3.497 7.427 1.00 0.00 C ATOM 165 O ALA A 16 1.206 -3.718 7.985 1.00 0.00 O ATOM 166 CB ALA A 16 1.998 -4.079 5.011 1.00 0.00 C ATOM 0 H ALA A 16 1.738 -6.050 7.039 1.00 0.00 H new ATOM 0 HA ALA A 16 3.823 -4.172 6.123 1.00 0.00 H new ATOM 0 HB1 ALA A 16 2.104 -3.022 4.767 1.00 0.00 H new ATOM 0 HB2 ALA A 16 2.395 -4.681 4.194 1.00 0.00 H new ATOM 0 HB3 ALA A 16 0.944 -4.314 5.156 1.00 0.00 H new ATOM 172 N TYR A 17 3.079 -2.491 7.769 1.00 0.00 N ATOM 173 CA TYR A 17 2.731 -1.571 8.845 1.00 0.00 C ATOM 174 C TYR A 17 3.028 -0.129 8.446 1.00 0.00 C ATOM 175 O TYR A 17 4.054 0.158 7.829 1.00 0.00 O ATOM 176 CB TYR A 17 3.498 -1.928 10.119 1.00 0.00 C ATOM 177 CG TYR A 17 5.000 -1.918 9.943 1.00 0.00 C ATOM 178 CD1 TYR A 17 5.707 -0.722 9.906 1.00 0.00 C ATOM 179 CD2 TYR A 17 5.712 -3.104 9.814 1.00 0.00 C ATOM 180 CE1 TYR A 17 7.079 -0.709 9.745 1.00 0.00 C ATOM 181 CE2 TYR A 17 7.084 -3.100 9.654 1.00 0.00 C ATOM 182 CZ TYR A 17 7.763 -1.900 9.620 1.00 0.00 C ATOM 183 OH TYR A 17 9.130 -1.891 9.460 1.00 0.00 O ATOM 0 H TYR A 17 3.971 -2.292 7.316 1.00 0.00 H new ATOM 0 HA TYR A 17 1.662 -1.663 9.036 1.00 0.00 H new ATOM 0 HB2 TYR A 17 3.228 -1.223 10.905 1.00 0.00 H new ATOM 0 HB3 TYR A 17 3.186 -2.917 10.456 1.00 0.00 H new ATOM 0 HD1 TYR A 17 5.175 0.213 10.005 1.00 0.00 H new ATOM 0 HD2 TYR A 17 5.184 -4.046 9.839 1.00 0.00 H new ATOM 0 HE1 TYR A 17 7.613 0.229 9.717 1.00 0.00 H new ATOM 0 HE2 TYR A 17 7.622 -4.031 9.556 1.00 0.00 H new ATOM 0 HH TYR A 17 9.457 -2.812 9.388 1.00 0.00 H new ATOM 193 N GLY A 18 2.123 0.777 8.804 1.00 0.00 N ATOM 194 CA GLY A 18 2.305 2.179 8.476 1.00 0.00 C ATOM 195 C GLY A 18 1.007 2.959 8.522 1.00 0.00 C ATOM 196 O GLY A 18 -0.084 2.389 8.550 1.00 0.00 O ATOM 0 H GLY A 18 1.267 0.565 9.316 1.00 0.00 H new ATOM 0 HA2 GLY A 18 3.016 2.622 9.173 1.00 0.00 H new ATOM 0 HA3 GLY A 18 2.740 2.262 7.480 1.00 0.00 H new ATOM 200 N PRO A 19 1.115 4.296 8.532 1.00 0.00 N ATOM 201 CA PRO A 19 -0.050 5.184 8.577 1.00 0.00 C ATOM 202 C PRO A 19 -0.847 5.160 7.277 1.00 0.00 C ATOM 203 O PRO A 19 -1.955 5.690 7.207 1.00 0.00 O ATOM 204 CB PRO A 19 0.567 6.567 8.801 1.00 0.00 C ATOM 205 CG PRO A 19 1.947 6.460 8.250 1.00 0.00 C ATOM 206 CD PRO A 19 2.383 5.043 8.500 1.00 0.00 C ATOM 0 HA PRO A 19 -0.759 4.888 9.350 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -0.004 7.343 8.291 1.00 0.00 H new ATOM 0 HB3 PRO A 19 0.582 6.827 9.859 1.00 0.00 H new ATOM 0 HG2 PRO A 19 1.961 6.691 7.185 1.00 0.00 H new ATOM 0 HG3 PRO A 19 2.618 7.167 8.738 1.00 0.00 H new ATOM 0 HD2 PRO A 19 3.043 4.681 7.712 1.00 0.00 H new ATOM 0 HD3 PRO A 19 2.928 4.950 9.439 1.00 0.00 H new ATOM 214 N GLY A 20 -0.275 4.541 6.248 1.00 0.00 N ATOM 215 CA GLY A 20 -0.947 4.460 4.965 1.00 0.00 C ATOM 216 C GLY A 20 -1.943 3.319 4.903 1.00 0.00 C ATOM 217 O GLY A 20 -2.934 3.389 4.175 1.00 0.00 O ATOM 0 H GLY A 20 0.642 4.095 6.281 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -1.463 5.400 4.769 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -0.205 4.333 4.177 1.00 0.00 H new ATOM 221 N LEU A 21 -1.680 2.264 5.666 1.00 0.00 N ATOM 222 CA LEU A 21 -2.560 1.101 5.694 1.00 0.00 C ATOM 223 C LEU A 21 -3.755 1.344 6.611 1.00 0.00 C ATOM 224 O LEU A 21 -4.862 0.883 6.337 1.00 0.00 O ATOM 225 CB LEU A 21 -1.789 -0.135 6.160 1.00 0.00 C ATOM 226 CG LEU A 21 -0.505 -0.453 5.393 1.00 0.00 C ATOM 227 CD1 LEU A 21 0.459 -1.240 6.269 1.00 0.00 C ATOM 228 CD2 LEU A 21 -0.821 -1.223 4.119 1.00 0.00 C ATOM 0 H LEU A 21 -0.864 2.190 6.274 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.930 0.932 4.683 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.537 -0.006 7.213 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.451 -0.998 6.094 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.028 0.487 5.116 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.367 -1.457 5.707 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.711 -0.652 7.152 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.010 -2.175 6.577 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.105 -1.441 3.586 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.321 -2.157 4.373 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.473 -0.623 3.484 1.00 0.00 H new ATOM 240 N GLU A 22 -3.521 2.073 7.698 1.00 0.00 N ATOM 241 CA GLU A 22 -4.580 2.378 8.654 1.00 0.00 C ATOM 242 C GLU A 22 -5.324 3.649 8.253 1.00 0.00 C ATOM 243 O GLU A 22 -6.465 3.868 8.661 1.00 0.00 O ATOM 244 CB GLU A 22 -3.997 2.537 10.060 1.00 0.00 C ATOM 245 CG GLU A 22 -3.926 1.235 10.839 1.00 0.00 C ATOM 246 CD GLU A 22 -5.272 0.814 11.397 1.00 0.00 C ATOM 247 OE1 GLU A 22 -6.082 1.705 11.730 1.00 0.00 O ATOM 248 OE2 GLU A 22 -5.515 -0.406 11.500 1.00 0.00 O ATOM 0 H GLU A 22 -2.610 2.463 7.938 1.00 0.00 H new ATOM 0 HA GLU A 22 -5.287 1.548 8.653 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.995 2.960 9.983 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -4.603 3.252 10.617 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.544 0.448 10.189 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.216 1.345 11.658 1.00 0.00 H new ATOM 255 N GLY A 23 -4.670 4.484 7.452 1.00 0.00 N ATOM 256 CA GLY A 23 -5.284 5.723 7.011 1.00 0.00 C ATOM 257 C GLY A 23 -4.667 6.942 7.667 1.00 0.00 C ATOM 258 O GLY A 23 -3.893 6.821 8.616 1.00 0.00 O ATOM 0 H GLY A 23 -3.726 4.325 7.100 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -5.186 5.808 5.929 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -6.351 5.695 7.233 1.00 0.00 H new ATOM 262 N GLY A 24 -5.009 8.122 7.158 1.00 0.00 N ATOM 263 CA GLY A 24 -4.472 9.352 7.712 1.00 0.00 C ATOM 264 C GLY A 24 -5.343 10.554 7.406 1.00 0.00 C ATOM 265 O GLY A 24 -6.488 10.631 7.852 1.00 0.00 O ATOM 0 H GLY A 24 -5.648 8.248 6.373 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -4.370 9.246 8.792 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.472 9.521 7.313 1.00 0.00 H new ATOM 269 N THR A 25 -4.800 11.498 6.643 1.00 0.00 N ATOM 270 CA THR A 25 -5.533 12.703 6.280 1.00 0.00 C ATOM 271 C THR A 25 -5.410 12.993 4.788 1.00 0.00 C ATOM 272 O THR A 25 -4.421 12.626 4.153 1.00 0.00 O ATOM 273 CB THR A 25 -5.032 13.926 7.072 1.00 0.00 C ATOM 274 OG1 THR A 25 -5.406 13.804 8.449 1.00 0.00 O ATOM 275 CG2 THR A 25 -5.603 15.214 6.498 1.00 0.00 C ATOM 0 H THR A 25 -3.854 11.450 6.265 1.00 0.00 H new ATOM 0 HA THR A 25 -6.579 12.523 6.528 1.00 0.00 H new ATOM 0 HB THR A 25 -3.946 13.963 6.993 1.00 0.00 H new ATOM 0 HG1 THR A 25 -5.083 14.584 8.946 1.00 0.00 H new ATOM 0 HG21 THR A 25 -5.235 16.063 7.074 1.00 0.00 H new ATOM 0 HG22 THR A 25 -5.292 15.318 5.458 1.00 0.00 H new ATOM 0 HG23 THR A 25 -6.691 15.184 6.550 1.00 0.00 H new ATOM 283 N THR A 26 -6.421 13.656 4.234 1.00 0.00 N ATOM 284 CA THR A 26 -6.426 13.995 2.816 1.00 0.00 C ATOM 285 C THR A 26 -5.313 14.982 2.483 1.00 0.00 C ATOM 286 O THR A 26 -4.887 15.762 3.333 1.00 0.00 O ATOM 287 CB THR A 26 -7.777 14.598 2.388 1.00 0.00 C ATOM 288 OG1 THR A 26 -8.183 15.604 3.323 1.00 0.00 O ATOM 289 CG2 THR A 26 -8.847 13.521 2.298 1.00 0.00 C ATOM 0 H THR A 26 -7.246 13.969 4.746 1.00 0.00 H new ATOM 0 HA THR A 26 -6.261 13.067 2.268 1.00 0.00 H new ATOM 0 HB THR A 26 -7.653 15.047 1.403 1.00 0.00 H new ATOM 0 HG1 THR A 26 -8.867 16.174 2.914 1.00 0.00 H new ATOM 0 HG21 THR A 26 -9.792 13.971 1.994 1.00 0.00 H new ATOM 0 HG22 THR A 26 -8.549 12.773 1.564 1.00 0.00 H new ATOM 0 HG23 THR A 26 -8.968 13.046 3.272 1.00 0.00 H new ATOM 297 N GLY A 27 -4.846 14.942 1.239 1.00 0.00 N ATOM 298 CA GLY A 27 -3.786 15.838 0.815 1.00 0.00 C ATOM 299 C GLY A 27 -2.502 15.628 1.593 1.00 0.00 C ATOM 300 O GLY A 27 -1.664 16.525 1.678 1.00 0.00 O ATOM 0 H GLY A 27 -5.183 14.305 0.517 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -3.592 15.689 -0.247 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -4.116 16.870 0.937 1.00 0.00 H new ATOM 304 N VAL A 28 -2.348 14.438 2.166 1.00 0.00 N ATOM 305 CA VAL A 28 -1.158 14.112 2.942 1.00 0.00 C ATOM 306 C VAL A 28 -0.517 12.819 2.449 1.00 0.00 C ATOM 307 O VAL A 28 -1.133 11.754 2.489 1.00 0.00 O ATOM 308 CB VAL A 28 -1.486 13.970 4.440 1.00 0.00 C ATOM 309 CG1 VAL A 28 -0.242 13.582 5.225 1.00 0.00 C ATOM 310 CG2 VAL A 28 -2.084 15.261 4.978 1.00 0.00 C ATOM 0 H VAL A 28 -3.033 13.684 2.107 1.00 0.00 H new ATOM 0 HA VAL A 28 -0.457 14.936 2.807 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.224 13.176 4.559 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.493 13.486 6.281 1.00 0.00 H new ATOM 0 HG12 VAL A 28 0.139 12.630 4.855 1.00 0.00 H new ATOM 0 HG13 VAL A 28 0.521 14.351 5.102 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -2.310 15.143 6.038 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.371 16.075 4.847 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.001 15.491 4.435 1.00 0.00 H new ATOM 320 N SER A 29 0.724 12.920 1.985 1.00 0.00 N ATOM 321 CA SER A 29 1.448 11.759 1.480 1.00 0.00 C ATOM 322 C SER A 29 1.419 10.619 2.493 1.00 0.00 C ATOM 323 O SER A 29 2.105 10.663 3.514 1.00 0.00 O ATOM 324 CB SER A 29 2.896 12.134 1.160 1.00 0.00 C ATOM 325 OG SER A 29 3.002 12.697 -0.137 1.00 0.00 O ATOM 0 H SER A 29 1.249 13.794 1.948 1.00 0.00 H new ATOM 0 HA SER A 29 0.956 11.424 0.567 1.00 0.00 H new ATOM 0 HB2 SER A 29 3.263 12.845 1.900 1.00 0.00 H new ATOM 0 HB3 SER A 29 3.528 11.249 1.228 1.00 0.00 H new ATOM 0 HG SER A 29 2.195 12.487 -0.652 1.00 0.00 H new ATOM 331 N SER A 30 0.619 9.598 2.202 1.00 0.00 N ATOM 332 CA SER A 30 0.496 8.446 3.089 1.00 0.00 C ATOM 333 C SER A 30 1.266 7.251 2.536 1.00 0.00 C ATOM 334 O SER A 30 1.040 6.824 1.404 1.00 0.00 O ATOM 335 CB SER A 30 -0.976 8.076 3.278 1.00 0.00 C ATOM 336 OG SER A 30 -1.750 9.217 3.607 1.00 0.00 O ATOM 0 H SER A 30 0.047 9.545 1.359 1.00 0.00 H new ATOM 0 HA SER A 30 0.922 8.715 4.056 1.00 0.00 H new ATOM 0 HB2 SER A 30 -1.361 7.623 2.364 1.00 0.00 H new ATOM 0 HB3 SER A 30 -1.068 7.330 4.067 1.00 0.00 H new ATOM 0 HG SER A 30 -1.502 9.961 3.020 1.00 0.00 H new ATOM 342 N GLU A 31 2.176 6.716 3.344 1.00 0.00 N ATOM 343 CA GLU A 31 2.980 5.570 2.935 1.00 0.00 C ATOM 344 C GLU A 31 2.980 4.492 4.015 1.00 0.00 C ATOM 345 O GLU A 31 2.386 4.665 5.080 1.00 0.00 O ATOM 346 CB GLU A 31 4.416 6.007 2.636 1.00 0.00 C ATOM 347 CG GLU A 31 5.179 6.473 3.864 1.00 0.00 C ATOM 348 CD GLU A 31 4.519 7.656 4.546 1.00 0.00 C ATOM 349 OE1 GLU A 31 4.641 8.784 4.025 1.00 0.00 O ATOM 350 OE2 GLU A 31 3.882 7.454 5.601 1.00 0.00 O ATOM 0 H GLU A 31 2.375 7.057 4.284 1.00 0.00 H new ATOM 0 HA GLU A 31 2.538 5.153 2.030 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.952 5.175 2.180 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.396 6.814 1.903 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.259 5.648 4.572 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.194 6.745 3.575 1.00 0.00 H new ATOM 357 N PHE A 32 3.649 3.379 3.733 1.00 0.00 N ATOM 358 CA PHE A 32 3.725 2.272 4.678 1.00 0.00 C ATOM 359 C PHE A 32 4.921 1.375 4.371 1.00 0.00 C ATOM 360 O PHE A 32 5.396 1.324 3.236 1.00 0.00 O ATOM 361 CB PHE A 32 2.434 1.450 4.639 1.00 0.00 C ATOM 362 CG PHE A 32 2.030 1.035 3.254 1.00 0.00 C ATOM 363 CD1 PHE A 32 2.563 -0.104 2.674 1.00 0.00 C ATOM 364 CD2 PHE A 32 1.115 1.785 2.531 1.00 0.00 C ATOM 365 CE1 PHE A 32 2.193 -0.489 1.399 1.00 0.00 C ATOM 366 CE2 PHE A 32 0.740 1.405 1.257 1.00 0.00 C ATOM 367 CZ PHE A 32 1.281 0.267 0.689 1.00 0.00 C ATOM 0 H PHE A 32 4.147 3.220 2.857 1.00 0.00 H new ATOM 0 HA PHE A 32 3.853 2.689 5.677 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.561 0.559 5.254 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.628 2.033 5.085 1.00 0.00 H new ATOM 0 HD1 PHE A 32 3.277 -0.699 3.225 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.691 2.676 2.969 1.00 0.00 H new ATOM 0 HE1 PHE A 32 2.616 -1.380 0.959 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.025 1.997 0.705 1.00 0.00 H new ATOM 0 HZ PHE A 32 0.991 -0.030 -0.308 1.00 0.00 H new ATOM 377 N ILE A 33 5.402 0.671 5.390 1.00 0.00 N ATOM 378 CA ILE A 33 6.542 -0.223 5.230 1.00 0.00 C ATOM 379 C ILE A 33 6.099 -1.682 5.221 1.00 0.00 C ATOM 380 O ILE A 33 5.347 -2.119 6.093 1.00 0.00 O ATOM 381 CB ILE A 33 7.579 -0.020 6.350 1.00 0.00 C ATOM 382 CG1 ILE A 33 8.283 1.329 6.185 1.00 0.00 C ATOM 383 CG2 ILE A 33 8.592 -1.155 6.346 1.00 0.00 C ATOM 384 CD1 ILE A 33 9.321 1.603 7.250 1.00 0.00 C ATOM 0 H ILE A 33 5.020 0.702 6.335 1.00 0.00 H new ATOM 0 HA ILE A 33 7.002 0.021 4.272 1.00 0.00 H new ATOM 0 HB ILE A 33 7.061 -0.024 7.309 1.00 0.00 H new ATOM 0 HG12 ILE A 33 8.761 1.363 5.206 1.00 0.00 H new ATOM 0 HG13 ILE A 33 7.537 2.124 6.203 1.00 0.00 H new ATOM 0 HG21 ILE A 33 9.318 -0.997 7.143 1.00 0.00 H new ATOM 0 HG22 ILE A 33 8.077 -2.102 6.506 1.00 0.00 H new ATOM 0 HG23 ILE A 33 9.107 -1.180 5.386 1.00 0.00 H new ATOM 0 HD11 ILE A 33 9.779 2.576 7.070 1.00 0.00 H new ATOM 0 HD12 ILE A 33 8.845 1.602 8.231 1.00 0.00 H new ATOM 0 HD13 ILE A 33 10.088 0.829 7.218 1.00 0.00 H new ATOM 396 N VAL A 34 6.571 -2.432 4.231 1.00 0.00 N ATOM 397 CA VAL A 34 6.226 -3.844 4.110 1.00 0.00 C ATOM 398 C VAL A 34 7.403 -4.732 4.497 1.00 0.00 C ATOM 399 O VAL A 34 8.354 -4.887 3.733 1.00 0.00 O ATOM 400 CB VAL A 34 5.784 -4.193 2.676 1.00 0.00 C ATOM 401 CG1 VAL A 34 5.244 -5.614 2.614 1.00 0.00 C ATOM 402 CG2 VAL A 34 4.745 -3.197 2.182 1.00 0.00 C ATOM 0 H VAL A 34 7.193 -2.086 3.501 1.00 0.00 H new ATOM 0 HA VAL A 34 5.396 -4.027 4.793 1.00 0.00 H new ATOM 0 HB VAL A 34 6.653 -4.132 2.021 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.937 -5.842 1.593 1.00 0.00 H new ATOM 0 HG12 VAL A 34 6.021 -6.312 2.924 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.386 -5.707 3.280 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.444 -3.458 1.168 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.874 -3.224 2.837 1.00 0.00 H new ATOM 0 HG23 VAL A 34 5.171 -2.194 2.187 1.00 0.00 H new ATOM 412 N ASN A 35 7.330 -5.314 5.690 1.00 0.00 N ATOM 413 CA ASN A 35 8.390 -6.188 6.180 1.00 0.00 C ATOM 414 C ASN A 35 8.365 -7.532 5.457 1.00 0.00 C ATOM 415 O ASN A 35 7.470 -8.349 5.673 1.00 0.00 O ATOM 416 CB ASN A 35 8.246 -6.404 7.687 1.00 0.00 C ATOM 417 CG ASN A 35 8.828 -7.729 8.140 1.00 0.00 C ATOM 418 OD1 ASN A 35 8.104 -8.709 8.321 1.00 0.00 O ATOM 419 ND2 ASN A 35 10.142 -7.765 8.326 1.00 0.00 N ATOM 0 H ASN A 35 6.548 -5.196 6.335 1.00 0.00 H new ATOM 0 HA ASN A 35 9.346 -5.705 5.979 1.00 0.00 H new ATOM 0 HB2 ASN A 35 8.744 -5.592 8.217 1.00 0.00 H new ATOM 0 HB3 ASN A 35 7.191 -6.362 7.958 1.00 0.00 H new ATOM 0 HD21 ASN A 35 10.590 -8.629 8.631 1.00 0.00 H new ATOM 0 HD22 ASN A 35 10.703 -6.929 8.164 1.00 0.00 H new ATOM 426 N THR A 36 9.355 -7.754 4.598 1.00 0.00 N ATOM 427 CA THR A 36 9.446 -8.997 3.843 1.00 0.00 C ATOM 428 C THR A 36 10.788 -9.683 4.074 1.00 0.00 C ATOM 429 O THR A 36 11.062 -10.741 3.506 1.00 0.00 O ATOM 430 CB THR A 36 9.262 -8.753 2.333 1.00 0.00 C ATOM 431 OG1 THR A 36 10.299 -7.894 1.845 1.00 0.00 O ATOM 432 CG2 THR A 36 7.904 -8.128 2.048 1.00 0.00 C ATOM 0 H THR A 36 10.105 -7.089 4.408 1.00 0.00 H new ATOM 0 HA THR A 36 8.643 -9.642 4.200 1.00 0.00 H new ATOM 0 HB THR A 36 9.317 -9.715 1.823 1.00 0.00 H new ATOM 0 HG1 THR A 36 10.377 -7.995 0.873 1.00 0.00 H new ATOM 0 HG21 THR A 36 7.796 -7.965 0.976 1.00 0.00 H new ATOM 0 HG22 THR A 36 7.116 -8.797 2.394 1.00 0.00 H new ATOM 0 HG23 THR A 36 7.826 -7.174 2.570 1.00 0.00 H new ATOM 440 N LEU A 37 11.621 -9.076 4.912 1.00 0.00 N ATOM 441 CA LEU A 37 12.935 -9.629 5.220 1.00 0.00 C ATOM 442 C LEU A 37 12.821 -11.081 5.674 1.00 0.00 C ATOM 443 O LEU A 37 13.482 -11.965 5.129 1.00 0.00 O ATOM 444 CB LEU A 37 13.619 -8.796 6.305 1.00 0.00 C ATOM 445 CG LEU A 37 13.723 -7.295 6.033 1.00 0.00 C ATOM 446 CD1 LEU A 37 13.870 -6.526 7.337 1.00 0.00 C ATOM 447 CD2 LEU A 37 14.891 -7.001 5.103 1.00 0.00 C ATOM 0 H LEU A 37 11.410 -8.200 5.391 1.00 0.00 H new ATOM 0 HA LEU A 37 13.538 -9.597 4.312 1.00 0.00 H new ATOM 0 HB2 LEU A 37 13.077 -8.939 7.240 1.00 0.00 H new ATOM 0 HB3 LEU A 37 14.625 -9.188 6.456 1.00 0.00 H new ATOM 0 HG LEU A 37 12.805 -6.969 5.544 1.00 0.00 H new ATOM 0 HD11 LEU A 37 13.943 -5.459 7.124 1.00 0.00 H new ATOM 0 HD12 LEU A 37 13.001 -6.712 7.969 1.00 0.00 H new ATOM 0 HD13 LEU A 37 14.772 -6.855 7.854 1.00 0.00 H new ATOM 0 HD21 LEU A 37 14.950 -5.928 4.921 1.00 0.00 H new ATOM 0 HD22 LEU A 37 15.818 -7.342 5.564 1.00 0.00 H new ATOM 0 HD23 LEU A 37 14.743 -7.522 4.157 1.00 0.00 H new ATOM 459 N ASN A 38 11.978 -11.320 6.673 1.00 0.00 N ATOM 460 CA ASN A 38 11.777 -12.665 7.198 1.00 0.00 C ATOM 461 C ASN A 38 11.428 -13.641 6.078 1.00 0.00 C ATOM 462 O ASN A 38 11.863 -14.792 6.086 1.00 0.00 O ATOM 463 CB ASN A 38 10.666 -12.663 8.251 1.00 0.00 C ATOM 464 CG ASN A 38 11.174 -12.273 9.626 1.00 0.00 C ATOM 465 OD1 ASN A 38 10.888 -12.943 10.618 1.00 0.00 O ATOM 466 ND2 ASN A 38 11.932 -11.185 9.690 1.00 0.00 N ATOM 0 H ASN A 38 11.423 -10.600 7.135 1.00 0.00 H new ATOM 0 HA ASN A 38 12.709 -12.989 7.661 1.00 0.00 H new ATOM 0 HB2 ASN A 38 9.882 -11.970 7.946 1.00 0.00 H new ATOM 0 HB3 ASN A 38 10.214 -13.654 8.301 1.00 0.00 H new ATOM 0 HD21 ASN A 38 12.303 -10.874 10.588 1.00 0.00 H new ATOM 0 HD22 ASN A 38 12.144 -10.660 8.841 1.00 0.00 H new ATOM 473 N ALA A 39 10.642 -13.171 5.115 1.00 0.00 N ATOM 474 CA ALA A 39 10.238 -14.000 3.986 1.00 0.00 C ATOM 475 C ALA A 39 11.449 -14.470 3.188 1.00 0.00 C ATOM 476 O ALA A 39 11.689 -15.669 3.053 1.00 0.00 O ATOM 477 CB ALA A 39 9.276 -13.236 3.088 1.00 0.00 C ATOM 0 H ALA A 39 10.272 -12.221 5.094 1.00 0.00 H new ATOM 0 HA ALA A 39 9.730 -14.881 4.378 1.00 0.00 H new ATOM 0 HB1 ALA A 39 8.983 -13.867 2.249 1.00 0.00 H new ATOM 0 HB2 ALA A 39 8.390 -12.956 3.658 1.00 0.00 H new ATOM 0 HB3 ALA A 39 9.765 -12.337 2.712 1.00 0.00 H new ATOM 483 N GLY A 40 12.211 -13.516 2.660 1.00 0.00 N ATOM 484 CA GLY A 40 13.388 -13.853 1.881 1.00 0.00 C ATOM 485 C GLY A 40 13.452 -13.095 0.570 1.00 0.00 C ATOM 486 O GLY A 40 14.201 -12.127 0.440 1.00 0.00 O ATOM 0 H GLY A 40 12.034 -12.516 2.758 1.00 0.00 H new ATOM 0 HA2 GLY A 40 14.282 -13.636 2.466 1.00 0.00 H new ATOM 0 HA3 GLY A 40 13.391 -14.924 1.678 1.00 0.00 H new ATOM 490 N SER A 41 12.665 -13.538 -0.406 1.00 0.00 N ATOM 491 CA SER A 41 12.639 -12.898 -1.716 1.00 0.00 C ATOM 492 C SER A 41 11.390 -13.301 -2.493 1.00 0.00 C ATOM 493 O SER A 41 10.785 -14.338 -2.224 1.00 0.00 O ATOM 494 CB SER A 41 13.891 -13.270 -2.513 1.00 0.00 C ATOM 495 OG SER A 41 15.044 -12.647 -1.973 1.00 0.00 O ATOM 0 H SER A 41 12.038 -14.337 -0.314 1.00 0.00 H new ATOM 0 HA SER A 41 12.619 -11.819 -1.565 1.00 0.00 H new ATOM 0 HB2 SER A 41 14.022 -14.352 -2.506 1.00 0.00 H new ATOM 0 HB3 SER A 41 13.766 -12.970 -3.554 1.00 0.00 H new ATOM 0 HG SER A 41 14.783 -12.064 -1.230 1.00 0.00 H new ATOM 501 N GLY A 42 11.008 -12.472 -3.459 1.00 0.00 N ATOM 502 CA GLY A 42 9.832 -12.758 -4.261 1.00 0.00 C ATOM 503 C GLY A 42 9.221 -11.507 -4.861 1.00 0.00 C ATOM 504 O GLY A 42 9.703 -10.399 -4.626 1.00 0.00 O ATOM 0 H GLY A 42 11.492 -11.607 -3.701 1.00 0.00 H new ATOM 0 HA2 GLY A 42 10.101 -13.447 -5.062 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.088 -13.261 -3.643 1.00 0.00 H new ATOM 508 N ALA A 43 8.158 -11.684 -5.638 1.00 0.00 N ATOM 509 CA ALA A 43 7.480 -10.560 -6.273 1.00 0.00 C ATOM 510 C ALA A 43 6.395 -9.990 -5.366 1.00 0.00 C ATOM 511 O ALA A 43 5.698 -10.733 -4.673 1.00 0.00 O ATOM 512 CB ALA A 43 6.886 -10.987 -7.607 1.00 0.00 C ATOM 0 H ALA A 43 7.747 -12.595 -5.843 1.00 0.00 H new ATOM 0 HA ALA A 43 8.217 -9.776 -6.451 1.00 0.00 H new ATOM 0 HB1 ALA A 43 6.383 -10.138 -8.070 1.00 0.00 H new ATOM 0 HB2 ALA A 43 7.682 -11.339 -8.263 1.00 0.00 H new ATOM 0 HB3 ALA A 43 6.167 -11.790 -7.445 1.00 0.00 H new ATOM 518 N LEU A 44 6.256 -8.669 -5.375 1.00 0.00 N ATOM 519 CA LEU A 44 5.255 -7.999 -4.552 1.00 0.00 C ATOM 520 C LEU A 44 4.217 -7.297 -5.422 1.00 0.00 C ATOM 521 O LEU A 44 4.519 -6.853 -6.530 1.00 0.00 O ATOM 522 CB LEU A 44 5.925 -6.988 -3.621 1.00 0.00 C ATOM 523 CG LEU A 44 5.000 -5.959 -2.969 1.00 0.00 C ATOM 524 CD1 LEU A 44 4.414 -6.510 -1.679 1.00 0.00 C ATOM 525 CD2 LEU A 44 5.749 -4.661 -2.706 1.00 0.00 C ATOM 0 H LEU A 44 6.824 -8.040 -5.943 1.00 0.00 H new ATOM 0 HA LEU A 44 4.748 -8.755 -3.952 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.439 -7.536 -2.832 1.00 0.00 H new ATOM 0 HB3 LEU A 44 6.688 -6.454 -4.187 1.00 0.00 H new ATOM 0 HG LEU A 44 4.180 -5.749 -3.655 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.759 -5.764 -1.229 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.842 -7.412 -1.895 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.221 -6.749 -0.986 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.076 -3.940 -2.242 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.589 -4.854 -2.039 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.119 -4.257 -3.648 1.00 0.00 H new ATOM 537 N SER A 45 2.994 -7.196 -4.911 1.00 0.00 N ATOM 538 CA SER A 45 1.911 -6.549 -5.641 1.00 0.00 C ATOM 539 C SER A 45 1.107 -5.634 -4.722 1.00 0.00 C ATOM 540 O SER A 45 0.651 -6.050 -3.657 1.00 0.00 O ATOM 541 CB SER A 45 0.991 -7.598 -6.267 1.00 0.00 C ATOM 542 OG SER A 45 -0.283 -7.050 -6.560 1.00 0.00 O ATOM 0 H SER A 45 2.729 -7.554 -3.994 1.00 0.00 H new ATOM 0 HA SER A 45 2.351 -5.944 -6.433 1.00 0.00 H new ATOM 0 HB2 SER A 45 1.443 -7.984 -7.181 1.00 0.00 H new ATOM 0 HB3 SER A 45 0.880 -8.441 -5.586 1.00 0.00 H new ATOM 0 HG SER A 45 -0.852 -7.740 -6.961 1.00 0.00 H new ATOM 548 N VAL A 46 0.937 -4.384 -5.142 1.00 0.00 N ATOM 549 CA VAL A 46 0.188 -3.410 -4.359 1.00 0.00 C ATOM 550 C VAL A 46 -0.921 -2.773 -5.190 1.00 0.00 C ATOM 551 O VAL A 46 -0.706 -2.382 -6.338 1.00 0.00 O ATOM 552 CB VAL A 46 1.108 -2.301 -3.814 1.00 0.00 C ATOM 553 CG1 VAL A 46 0.305 -1.288 -3.011 1.00 0.00 C ATOM 554 CG2 VAL A 46 2.222 -2.901 -2.970 1.00 0.00 C ATOM 0 H VAL A 46 1.308 -4.023 -6.021 1.00 0.00 H new ATOM 0 HA VAL A 46 -0.254 -3.949 -3.521 1.00 0.00 H new ATOM 0 HB VAL A 46 1.562 -1.782 -4.658 1.00 0.00 H new ATOM 0 HG11 VAL A 46 0.971 -0.512 -2.634 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -0.453 -0.836 -3.650 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.179 -1.789 -2.173 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.863 -2.104 -2.593 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.790 -3.446 -2.131 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.813 -3.584 -3.580 1.00 0.00 H new ATOM 564 N THR A 47 -2.109 -2.670 -4.602 1.00 0.00 N ATOM 565 CA THR A 47 -3.252 -2.081 -5.287 1.00 0.00 C ATOM 566 C THR A 47 -4.177 -1.371 -4.304 1.00 0.00 C ATOM 567 O THR A 47 -4.382 -1.839 -3.184 1.00 0.00 O ATOM 568 CB THR A 47 -4.058 -3.146 -6.054 1.00 0.00 C ATOM 569 OG1 THR A 47 -4.322 -4.267 -5.203 1.00 0.00 O ATOM 570 CG2 THR A 47 -3.303 -3.609 -7.291 1.00 0.00 C ATOM 0 H THR A 47 -2.304 -2.987 -3.652 1.00 0.00 H new ATOM 0 HA THR A 47 -2.855 -1.356 -5.997 1.00 0.00 H new ATOM 0 HB THR A 47 -5.001 -2.699 -6.369 1.00 0.00 H new ATOM 0 HG1 THR A 47 -4.836 -4.939 -5.697 1.00 0.00 H new ATOM 0 HG21 THR A 47 -3.892 -4.361 -7.816 1.00 0.00 H new ATOM 0 HG22 THR A 47 -3.129 -2.759 -7.950 1.00 0.00 H new ATOM 0 HG23 THR A 47 -2.347 -4.040 -6.994 1.00 0.00 H new ATOM 578 N ILE A 48 -4.731 -0.242 -4.731 1.00 0.00 N ATOM 579 CA ILE A 48 -5.635 0.530 -3.888 1.00 0.00 C ATOM 580 C ILE A 48 -6.967 0.775 -4.590 1.00 0.00 C ATOM 581 O ILE A 48 -7.014 0.963 -5.806 1.00 0.00 O ATOM 582 CB ILE A 48 -5.018 1.886 -3.494 1.00 0.00 C ATOM 583 CG1 ILE A 48 -3.601 1.687 -2.953 1.00 0.00 C ATOM 584 CG2 ILE A 48 -5.892 2.586 -2.464 1.00 0.00 C ATOM 585 CD1 ILE A 48 -2.772 2.952 -2.954 1.00 0.00 C ATOM 0 H ILE A 48 -4.570 0.158 -5.655 1.00 0.00 H new ATOM 0 HA ILE A 48 -5.805 -0.058 -2.986 1.00 0.00 H new ATOM 0 HB ILE A 48 -4.962 2.516 -4.382 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -3.660 1.301 -1.935 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -3.095 0.930 -3.552 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -5.443 3.542 -2.196 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -6.884 2.756 -2.883 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -5.976 1.962 -1.574 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -1.780 2.737 -2.558 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -2.682 3.327 -3.973 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -3.256 3.705 -2.332 1.00 0.00 H new ATOM 597 N ASP A 49 -8.046 0.774 -3.816 1.00 0.00 N ATOM 598 CA ASP A 49 -9.379 0.999 -4.363 1.00 0.00 C ATOM 599 C ASP A 49 -10.182 1.938 -3.468 1.00 0.00 C ATOM 600 O ASP A 49 -10.581 1.570 -2.364 1.00 0.00 O ATOM 601 CB ASP A 49 -10.119 -0.330 -4.522 1.00 0.00 C ATOM 602 CG ASP A 49 -11.126 -0.299 -5.656 1.00 0.00 C ATOM 603 OD1 ASP A 49 -11.994 0.598 -5.653 1.00 0.00 O ATOM 604 OD2 ASP A 49 -11.046 -1.173 -6.544 1.00 0.00 O ATOM 0 H ASP A 49 -8.024 0.620 -2.808 1.00 0.00 H new ATOM 0 HA ASP A 49 -9.269 1.465 -5.342 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -9.396 -1.126 -4.703 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -10.632 -0.571 -3.591 1.00 0.00 H new ATOM 609 N GLY A 50 -10.415 3.155 -3.952 1.00 0.00 N ATOM 610 CA GLY A 50 -11.168 4.128 -3.183 1.00 0.00 C ATOM 611 C GLY A 50 -12.113 4.942 -4.044 1.00 0.00 C ATOM 612 O GLY A 50 -12.372 4.612 -5.202 1.00 0.00 O ATOM 0 H GLY A 50 -10.095 3.484 -4.863 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -11.738 3.613 -2.410 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -10.476 4.799 -2.674 1.00 0.00 H new ATOM 616 N PRO A 51 -12.648 6.032 -3.475 1.00 0.00 N ATOM 617 CA PRO A 51 -13.580 6.917 -4.180 1.00 0.00 C ATOM 618 C PRO A 51 -12.898 7.711 -5.289 1.00 0.00 C ATOM 619 O PRO A 51 -13.560 8.253 -6.174 1.00 0.00 O ATOM 620 CB PRO A 51 -14.079 7.856 -3.079 1.00 0.00 C ATOM 621 CG PRO A 51 -12.991 7.861 -2.063 1.00 0.00 C ATOM 622 CD PRO A 51 -12.385 6.485 -2.099 1.00 0.00 C ATOM 0 HA PRO A 51 -14.375 6.360 -4.677 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -14.263 8.858 -3.467 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -15.017 7.502 -2.652 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -12.245 8.622 -2.293 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -13.383 8.089 -1.072 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -11.317 6.510 -1.882 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -12.844 5.824 -1.364 1.00 0.00 H new ATOM 630 N SER A 52 -11.572 7.775 -5.235 1.00 0.00 N ATOM 631 CA SER A 52 -10.801 8.505 -6.234 1.00 0.00 C ATOM 632 C SER A 52 -9.415 7.891 -6.406 1.00 0.00 C ATOM 633 O SER A 52 -8.781 7.476 -5.436 1.00 0.00 O ATOM 634 CB SER A 52 -10.673 9.977 -5.835 1.00 0.00 C ATOM 635 OG SER A 52 -10.523 10.804 -6.975 1.00 0.00 O ATOM 0 H SER A 52 -11.009 7.330 -4.510 1.00 0.00 H new ATOM 0 HA SER A 52 -11.330 8.438 -7.185 1.00 0.00 H new ATOM 0 HB2 SER A 52 -11.556 10.283 -5.274 1.00 0.00 H new ATOM 0 HB3 SER A 52 -9.816 10.104 -5.174 1.00 0.00 H new ATOM 0 HG SER A 52 -10.445 11.739 -6.693 1.00 0.00 H new ATOM 641 N LYS A 53 -8.949 7.836 -7.650 1.00 0.00 N ATOM 642 CA LYS A 53 -7.638 7.274 -7.952 1.00 0.00 C ATOM 643 C LYS A 53 -6.557 7.922 -7.093 1.00 0.00 C ATOM 644 O LYS A 53 -6.625 9.113 -6.786 1.00 0.00 O ATOM 645 CB LYS A 53 -7.309 7.465 -9.435 1.00 0.00 C ATOM 646 CG LYS A 53 -7.770 6.314 -10.313 1.00 0.00 C ATOM 647 CD LYS A 53 -9.264 6.380 -10.579 1.00 0.00 C ATOM 648 CE LYS A 53 -10.053 5.625 -9.520 1.00 0.00 C ATOM 649 NZ LYS A 53 -11.373 5.165 -10.035 1.00 0.00 N ATOM 0 H LYS A 53 -9.460 8.174 -8.465 1.00 0.00 H new ATOM 0 HA LYS A 53 -7.666 6.208 -7.726 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -7.773 8.387 -9.786 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -6.232 7.588 -9.547 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -7.230 6.338 -11.259 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -7.527 5.367 -9.831 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -9.585 7.421 -10.600 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -9.478 5.961 -11.562 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -9.476 4.765 -9.181 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -10.205 6.268 -8.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -11.880 4.655 -9.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -11.934 5.987 -10.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -11.227 4.531 -10.846 1.00 0.00 H new ATOM 663 N VAL A 54 -5.560 7.132 -6.709 1.00 0.00 N ATOM 664 CA VAL A 54 -4.463 7.630 -5.888 1.00 0.00 C ATOM 665 C VAL A 54 -3.115 7.353 -6.544 1.00 0.00 C ATOM 666 O VAL A 54 -2.865 6.249 -7.028 1.00 0.00 O ATOM 667 CB VAL A 54 -4.478 6.993 -4.485 1.00 0.00 C ATOM 668 CG1 VAL A 54 -5.771 7.333 -3.759 1.00 0.00 C ATOM 669 CG2 VAL A 54 -4.291 5.487 -4.582 1.00 0.00 C ATOM 0 H VAL A 54 -5.489 6.144 -6.953 1.00 0.00 H new ATOM 0 HA VAL A 54 -4.603 8.707 -5.793 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.648 7.402 -3.910 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -5.764 6.875 -2.770 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -5.858 8.415 -3.657 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -6.619 6.953 -4.329 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -4.304 5.054 -3.582 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.099 5.057 -5.174 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -3.336 5.269 -5.059 1.00 0.00 H new ATOM 679 N GLN A 55 -2.250 8.362 -6.556 1.00 0.00 N ATOM 680 CA GLN A 55 -0.927 8.226 -7.154 1.00 0.00 C ATOM 681 C GLN A 55 0.040 7.550 -6.188 1.00 0.00 C ATOM 682 O GLN A 55 0.613 8.198 -5.311 1.00 0.00 O ATOM 683 CB GLN A 55 -0.385 9.598 -7.560 1.00 0.00 C ATOM 684 CG GLN A 55 0.706 9.532 -8.617 1.00 0.00 C ATOM 685 CD GLN A 55 1.597 10.759 -8.613 1.00 0.00 C ATOM 686 OE1 GLN A 55 1.645 11.502 -7.632 1.00 0.00 O ATOM 687 NE2 GLN A 55 2.307 10.978 -9.713 1.00 0.00 N ATOM 0 H GLN A 55 -2.441 9.282 -6.159 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.020 7.602 -8.043 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -1.207 10.208 -7.935 1.00 0.00 H new ATOM 0 HB3 GLN A 55 0.007 10.101 -6.676 1.00 0.00 H new ATOM 0 HG2 GLN A 55 1.316 8.644 -8.449 1.00 0.00 H new ATOM 0 HG3 GLN A 55 0.248 9.423 -9.600 1.00 0.00 H new ATOM 0 HE21 GLN A 55 2.236 10.336 -10.502 1.00 0.00 H new ATOM 0 HE22 GLN A 55 2.924 11.789 -9.769 1.00 0.00 H new ATOM 696 N LEU A 56 0.217 6.244 -6.354 1.00 0.00 N ATOM 697 CA LEU A 56 1.115 5.478 -5.496 1.00 0.00 C ATOM 698 C LEU A 56 2.487 5.321 -6.146 1.00 0.00 C ATOM 699 O LEU A 56 2.608 5.323 -7.371 1.00 0.00 O ATOM 700 CB LEU A 56 0.519 4.102 -5.199 1.00 0.00 C ATOM 701 CG LEU A 56 0.864 2.992 -6.192 1.00 0.00 C ATOM 702 CD1 LEU A 56 2.234 2.407 -5.884 1.00 0.00 C ATOM 703 CD2 LEU A 56 -0.200 1.904 -6.168 1.00 0.00 C ATOM 0 H LEU A 56 -0.249 5.693 -7.075 1.00 0.00 H new ATOM 0 HA LEU A 56 1.236 6.024 -4.560 1.00 0.00 H new ATOM 0 HB2 LEU A 56 0.850 3.791 -4.208 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.566 4.200 -5.157 1.00 0.00 H new ATOM 0 HG LEU A 56 0.892 3.423 -7.193 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.462 1.618 -6.601 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.988 3.191 -5.954 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.234 1.992 -4.876 1.00 0.00 H new ATOM 0 HD21 LEU A 56 0.063 1.123 -6.881 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.261 1.476 -5.167 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.165 2.333 -6.439 1.00 0.00 H new ATOM 715 N ASP A 57 3.516 5.184 -5.317 1.00 0.00 N ATOM 716 CA ASP A 57 4.878 5.023 -5.810 1.00 0.00 C ATOM 717 C ASP A 57 5.626 3.964 -5.005 1.00 0.00 C ATOM 718 O ASP A 57 5.867 4.135 -3.809 1.00 0.00 O ATOM 719 CB ASP A 57 5.628 6.354 -5.746 1.00 0.00 C ATOM 720 CG ASP A 57 6.703 6.465 -6.809 1.00 0.00 C ATOM 721 OD1 ASP A 57 6.358 6.414 -8.008 1.00 0.00 O ATOM 722 OD2 ASP A 57 7.889 6.603 -6.443 1.00 0.00 O ATOM 0 H ASP A 57 3.432 5.181 -4.300 1.00 0.00 H new ATOM 0 HA ASP A 57 4.825 4.695 -6.848 1.00 0.00 H new ATOM 0 HB2 ASP A 57 4.919 7.173 -5.864 1.00 0.00 H new ATOM 0 HB3 ASP A 57 6.082 6.465 -4.761 1.00 0.00 H new ATOM 727 N CYS A 58 5.989 2.872 -5.668 1.00 0.00 N ATOM 728 CA CYS A 58 6.708 1.784 -5.013 1.00 0.00 C ATOM 729 C CYS A 58 8.203 2.079 -4.953 1.00 0.00 C ATOM 730 O CYS A 58 8.860 2.220 -5.985 1.00 0.00 O ATOM 731 CB CYS A 58 6.465 0.467 -5.752 1.00 0.00 C ATOM 732 SG CYS A 58 6.983 0.486 -7.484 1.00 0.00 S ATOM 0 H CYS A 58 5.798 2.716 -6.658 1.00 0.00 H new ATOM 0 HA CYS A 58 6.333 1.695 -3.994 1.00 0.00 H new ATOM 0 HB2 CYS A 58 6.996 -0.331 -5.234 1.00 0.00 H new ATOM 0 HB3 CYS A 58 5.403 0.227 -5.704 1.00 0.00 H new ATOM 0 HG CYS A 58 8.041 1.231 -7.612 1.00 0.00 H new ATOM 738 N ARG A 59 8.734 2.174 -3.738 1.00 0.00 N ATOM 739 CA ARG A 59 10.151 2.456 -3.544 1.00 0.00 C ATOM 740 C ARG A 59 10.807 1.376 -2.687 1.00 0.00 C ATOM 741 O ARG A 59 10.125 0.616 -2.002 1.00 0.00 O ATOM 742 CB ARG A 59 10.335 3.825 -2.887 1.00 0.00 C ATOM 743 CG ARG A 59 11.576 3.919 -2.013 1.00 0.00 C ATOM 744 CD ARG A 59 11.721 5.303 -1.400 1.00 0.00 C ATOM 745 NE ARG A 59 12.814 5.362 -0.433 1.00 0.00 N ATOM 746 CZ ARG A 59 14.097 5.413 -0.776 1.00 0.00 C ATOM 747 NH1 ARG A 59 14.445 5.414 -2.056 1.00 0.00 N ATOM 748 NH2 ARG A 59 15.034 5.464 0.161 1.00 0.00 N ATOM 0 H ARG A 59 8.204 2.060 -2.874 1.00 0.00 H new ATOM 0 HA ARG A 59 10.632 2.463 -4.522 1.00 0.00 H new ATOM 0 HB2 ARG A 59 10.390 4.587 -3.664 1.00 0.00 H new ATOM 0 HB3 ARG A 59 9.457 4.049 -2.282 1.00 0.00 H new ATOM 0 HG2 ARG A 59 11.522 3.173 -1.221 1.00 0.00 H new ATOM 0 HG3 ARG A 59 12.460 3.689 -2.608 1.00 0.00 H new ATOM 0 HD2 ARG A 59 11.897 6.033 -2.190 1.00 0.00 H new ATOM 0 HD3 ARG A 59 10.788 5.582 -0.910 1.00 0.00 H new ATOM 0 HE ARG A 59 12.580 5.364 0.560 1.00 0.00 H new ATOM 0 HH11 ARG A 59 13.727 5.376 -2.780 1.00 0.00 H new ATOM 0 HH12 ARG A 59 15.430 5.453 -2.317 1.00 0.00 H new ATOM 0 HH21 ARG A 59 14.770 5.464 1.146 1.00 0.00 H new ATOM 0 HH22 ARG A 59 16.018 5.503 -0.104 1.00 0.00 H new ATOM 762 N GLU A 60 12.134 1.317 -2.734 1.00 0.00 N ATOM 763 CA GLU A 60 12.882 0.330 -1.963 1.00 0.00 C ATOM 764 C GLU A 60 13.236 0.873 -0.582 1.00 0.00 C ATOM 765 O GLU A 60 13.586 2.045 -0.435 1.00 0.00 O ATOM 766 CB GLU A 60 14.156 -0.073 -2.708 1.00 0.00 C ATOM 767 CG GLU A 60 15.134 1.073 -2.905 1.00 0.00 C ATOM 768 CD GLU A 60 16.122 0.811 -4.025 1.00 0.00 C ATOM 769 OE1 GLU A 60 16.624 -0.328 -4.120 1.00 0.00 O ATOM 770 OE2 GLU A 60 16.393 1.747 -4.807 1.00 0.00 O ATOM 0 H GLU A 60 12.713 1.940 -3.297 1.00 0.00 H new ATOM 0 HA GLU A 60 12.251 -0.550 -1.837 1.00 0.00 H new ATOM 0 HB2 GLU A 60 14.652 -0.872 -2.157 1.00 0.00 H new ATOM 0 HB3 GLU A 60 13.884 -0.479 -3.682 1.00 0.00 H new ATOM 0 HG2 GLU A 60 14.579 1.986 -3.121 1.00 0.00 H new ATOM 0 HG3 GLU A 60 15.680 1.244 -1.977 1.00 0.00 H new ATOM 777 N CYS A 61 13.143 0.014 0.427 1.00 0.00 N ATOM 778 CA CYS A 61 13.453 0.407 1.797 1.00 0.00 C ATOM 779 C CYS A 61 14.261 -0.677 2.504 1.00 0.00 C ATOM 780 O CYS A 61 14.289 -1.835 2.088 1.00 0.00 O ATOM 781 CB CYS A 61 12.165 0.688 2.572 1.00 0.00 C ATOM 782 SG CYS A 61 11.604 2.404 2.475 1.00 0.00 S ATOM 0 H CYS A 61 12.855 -0.959 0.322 1.00 0.00 H new ATOM 0 HA CYS A 61 14.053 1.316 1.762 1.00 0.00 H new ATOM 0 HB2 CYS A 61 11.377 0.037 2.193 1.00 0.00 H new ATOM 0 HB3 CYS A 61 12.319 0.426 3.619 1.00 0.00 H new ATOM 0 HG CYS A 61 12.053 2.946 1.382 1.00 0.00 H new ATOM 788 N PRO A 62 14.935 -0.294 3.598 1.00 0.00 N ATOM 789 CA PRO A 62 15.757 -1.217 4.386 1.00 0.00 C ATOM 790 C PRO A 62 14.916 -2.240 5.142 1.00 0.00 C ATOM 791 O PRO A 62 15.447 -3.189 5.718 1.00 0.00 O ATOM 792 CB PRO A 62 16.487 -0.296 5.366 1.00 0.00 C ATOM 793 CG PRO A 62 15.604 0.898 5.493 1.00 0.00 C ATOM 794 CD PRO A 62 14.946 1.071 4.152 1.00 0.00 C ATOM 0 HA PRO A 62 16.424 -1.806 3.757 1.00 0.00 H new ATOM 0 HB2 PRO A 62 16.636 -0.782 6.330 1.00 0.00 H new ATOM 0 HB3 PRO A 62 17.473 -0.021 4.991 1.00 0.00 H new ATOM 0 HG2 PRO A 62 14.860 0.752 6.277 1.00 0.00 H new ATOM 0 HG3 PRO A 62 16.181 1.783 5.762 1.00 0.00 H new ATOM 0 HD2 PRO A 62 13.938 1.474 4.248 1.00 0.00 H new ATOM 0 HD3 PRO A 62 15.504 1.758 3.516 1.00 0.00 H new ATOM 802 N GLU A 63 13.602 -2.040 5.136 1.00 0.00 N ATOM 803 CA GLU A 63 12.689 -2.946 5.823 1.00 0.00 C ATOM 804 C GLU A 63 12.036 -3.911 4.838 1.00 0.00 C ATOM 805 O GLU A 63 11.475 -4.933 5.231 1.00 0.00 O ATOM 806 CB GLU A 63 11.612 -2.153 6.567 1.00 0.00 C ATOM 807 CG GLU A 63 12.125 -1.448 7.811 1.00 0.00 C ATOM 808 CD GLU A 63 13.034 -0.278 7.485 1.00 0.00 C ATOM 809 OE1 GLU A 63 12.678 0.519 6.592 1.00 0.00 O ATOM 810 OE2 GLU A 63 14.101 -0.161 8.124 1.00 0.00 O ATOM 0 H GLU A 63 13.146 -1.259 4.664 1.00 0.00 H new ATOM 0 HA GLU A 63 13.267 -3.525 6.543 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.185 -1.413 5.890 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.805 -2.829 6.850 1.00 0.00 H new ATOM 0 HG2 GLU A 63 11.278 -1.093 8.398 1.00 0.00 H new ATOM 0 HG3 GLU A 63 12.666 -2.162 8.432 1.00 0.00 H new ATOM 817 N GLY A 64 12.113 -3.578 3.553 1.00 0.00 N ATOM 818 CA GLY A 64 11.526 -4.424 2.530 1.00 0.00 C ATOM 819 C GLY A 64 10.968 -3.626 1.368 1.00 0.00 C ATOM 820 O GLY A 64 11.719 -3.147 0.518 1.00 0.00 O ATOM 0 H GLY A 64 12.572 -2.737 3.202 1.00 0.00 H new ATOM 0 HA2 GLY A 64 12.280 -5.119 2.161 1.00 0.00 H new ATOM 0 HA3 GLY A 64 10.729 -5.023 2.971 1.00 0.00 H new ATOM 824 N HIS A 65 9.647 -3.485 1.329 1.00 0.00 N ATOM 825 CA HIS A 65 8.989 -2.741 0.261 1.00 0.00 C ATOM 826 C HIS A 65 8.171 -1.585 0.828 1.00 0.00 C ATOM 827 O HIS A 65 7.396 -1.762 1.769 1.00 0.00 O ATOM 828 CB HIS A 65 8.087 -3.668 -0.555 1.00 0.00 C ATOM 829 CG HIS A 65 8.806 -4.847 -1.133 1.00 0.00 C ATOM 830 ND1 HIS A 65 8.939 -5.057 -2.489 1.00 0.00 N ATOM 831 CD2 HIS A 65 9.436 -5.883 -0.530 1.00 0.00 C ATOM 832 CE1 HIS A 65 9.617 -6.171 -2.696 1.00 0.00 C ATOM 833 NE2 HIS A 65 9.931 -6.692 -1.523 1.00 0.00 N ATOM 0 H HIS A 65 9.011 -3.876 2.024 1.00 0.00 H new ATOM 0 HA HIS A 65 9.760 -2.331 -0.391 1.00 0.00 H new ATOM 0 HB2 HIS A 65 7.276 -4.023 0.080 1.00 0.00 H new ATOM 0 HB3 HIS A 65 7.632 -3.098 -1.365 1.00 0.00 H new ATOM 0 HD2 HIS A 65 9.531 -6.043 0.534 1.00 0.00 H new ATOM 0 HE1 HIS A 65 9.872 -6.586 -3.660 1.00 0.00 H new ATOM 0 HE2 HIS A 65 10.456 -7.555 -1.379 1.00 0.00 H new ATOM 842 N VAL A 66 8.348 -0.401 0.251 1.00 0.00 N ATOM 843 CA VAL A 66 7.626 0.784 0.699 1.00 0.00 C ATOM 844 C VAL A 66 6.801 1.385 -0.433 1.00 0.00 C ATOM 845 O VAL A 66 7.165 1.282 -1.604 1.00 0.00 O ATOM 846 CB VAL A 66 8.590 1.856 1.242 1.00 0.00 C ATOM 847 CG1 VAL A 66 9.474 2.394 0.128 1.00 0.00 C ATOM 848 CG2 VAL A 66 7.813 2.982 1.908 1.00 0.00 C ATOM 0 H VAL A 66 8.985 -0.237 -0.528 1.00 0.00 H new ATOM 0 HA VAL A 66 6.960 0.465 1.501 1.00 0.00 H new ATOM 0 HB VAL A 66 9.233 1.395 1.992 1.00 0.00 H new ATOM 0 HG11 VAL A 66 10.148 3.150 0.531 1.00 0.00 H new ATOM 0 HG12 VAL A 66 10.058 1.579 -0.299 1.00 0.00 H new ATOM 0 HG13 VAL A 66 8.851 2.840 -0.648 1.00 0.00 H new ATOM 0 HG21 VAL A 66 8.509 3.731 2.286 1.00 0.00 H new ATOM 0 HG22 VAL A 66 7.145 3.443 1.181 1.00 0.00 H new ATOM 0 HG23 VAL A 66 7.228 2.580 2.735 1.00 0.00 H new ATOM 858 N VAL A 67 5.686 2.014 -0.075 1.00 0.00 N ATOM 859 CA VAL A 67 4.808 2.634 -1.061 1.00 0.00 C ATOM 860 C VAL A 67 4.274 3.970 -0.557 1.00 0.00 C ATOM 861 O VAL A 67 3.693 4.052 0.525 1.00 0.00 O ATOM 862 CB VAL A 67 3.620 1.717 -1.409 1.00 0.00 C ATOM 863 CG1 VAL A 67 2.616 2.453 -2.284 1.00 0.00 C ATOM 864 CG2 VAL A 67 4.108 0.450 -2.093 1.00 0.00 C ATOM 0 H VAL A 67 5.369 2.108 0.890 1.00 0.00 H new ATOM 0 HA VAL A 67 5.405 2.799 -1.958 1.00 0.00 H new ATOM 0 HB VAL A 67 3.119 1.433 -0.484 1.00 0.00 H new ATOM 0 HG11 VAL A 67 1.784 1.790 -2.520 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.243 3.328 -1.752 1.00 0.00 H new ATOM 0 HG13 VAL A 67 3.101 2.769 -3.208 1.00 0.00 H new ATOM 0 HG21 VAL A 67 3.256 -0.186 -2.332 1.00 0.00 H new ATOM 0 HG22 VAL A 67 4.634 0.712 -3.011 1.00 0.00 H new ATOM 0 HG23 VAL A 67 4.785 -0.085 -1.427 1.00 0.00 H new ATOM 874 N THR A 68 4.474 5.018 -1.351 1.00 0.00 N ATOM 875 CA THR A 68 4.014 6.352 -0.987 1.00 0.00 C ATOM 876 C THR A 68 2.916 6.831 -1.929 1.00 0.00 C ATOM 877 O THR A 68 3.108 6.888 -3.144 1.00 0.00 O ATOM 878 CB THR A 68 5.170 7.369 -1.005 1.00 0.00 C ATOM 879 OG1 THR A 68 6.277 6.866 -0.249 1.00 0.00 O ATOM 880 CG2 THR A 68 4.724 8.706 -0.432 1.00 0.00 C ATOM 0 H THR A 68 4.952 4.968 -2.251 1.00 0.00 H new ATOM 0 HA THR A 68 3.616 6.284 0.025 1.00 0.00 H new ATOM 0 HB THR A 68 5.476 7.519 -2.040 1.00 0.00 H new ATOM 0 HG1 THR A 68 7.009 7.518 -0.267 1.00 0.00 H new ATOM 0 HG21 THR A 68 5.558 9.408 -0.455 1.00 0.00 H new ATOM 0 HG22 THR A 68 3.901 9.101 -1.027 1.00 0.00 H new ATOM 0 HG23 THR A 68 4.394 8.569 0.598 1.00 0.00 H new ATOM 888 N TYR A 69 1.765 7.175 -1.362 1.00 0.00 N ATOM 889 CA TYR A 69 0.635 7.648 -2.152 1.00 0.00 C ATOM 890 C TYR A 69 0.014 8.892 -1.525 1.00 0.00 C ATOM 891 O TYR A 69 0.298 9.231 -0.376 1.00 0.00 O ATOM 892 CB TYR A 69 -0.420 6.548 -2.281 1.00 0.00 C ATOM 893 CG TYR A 69 -1.303 6.409 -1.062 1.00 0.00 C ATOM 894 CD1 TYR A 69 -2.378 7.266 -0.857 1.00 0.00 C ATOM 895 CD2 TYR A 69 -1.063 5.423 -0.114 1.00 0.00 C ATOM 896 CE1 TYR A 69 -3.187 7.144 0.256 1.00 0.00 C ATOM 897 CE2 TYR A 69 -1.867 5.292 1.001 1.00 0.00 C ATOM 898 CZ TYR A 69 -2.928 6.155 1.182 1.00 0.00 C ATOM 899 OH TYR A 69 -3.731 6.030 2.292 1.00 0.00 O ATOM 0 H TYR A 69 1.590 7.135 -0.358 1.00 0.00 H new ATOM 0 HA TYR A 69 1.003 7.909 -3.145 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -1.045 6.756 -3.150 1.00 0.00 H new ATOM 0 HB3 TYR A 69 0.080 5.597 -2.468 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -2.584 8.041 -1.581 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -0.232 4.746 -0.251 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -4.018 7.819 0.400 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -1.666 4.518 1.727 1.00 0.00 H new ATOM 0 HH TYR A 69 -3.474 5.228 2.793 1.00 0.00 H new ATOM 909 N THR A 70 -0.838 9.570 -2.288 1.00 0.00 N ATOM 910 CA THR A 70 -1.500 10.777 -1.810 1.00 0.00 C ATOM 911 C THR A 70 -2.996 10.736 -2.101 1.00 0.00 C ATOM 912 O THR A 70 -3.427 10.637 -3.250 1.00 0.00 O ATOM 913 CB THR A 70 -0.898 12.040 -2.453 1.00 0.00 C ATOM 914 OG1 THR A 70 0.493 12.141 -2.126 1.00 0.00 O ATOM 915 CG2 THR A 70 -1.626 13.289 -1.978 1.00 0.00 C ATOM 0 H THR A 70 -1.086 9.303 -3.241 1.00 0.00 H new ATOM 0 HA THR A 70 -1.343 10.817 -0.732 1.00 0.00 H new ATOM 0 HB THR A 70 -1.013 11.960 -3.534 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.869 12.946 -2.540 1.00 0.00 H new ATOM 0 HG21 THR A 70 -1.183 14.168 -2.446 1.00 0.00 H new ATOM 0 HG22 THR A 70 -2.679 13.223 -2.253 1.00 0.00 H new ATOM 0 HG23 THR A 70 -1.538 13.371 -0.895 1.00 0.00 H new ATOM 923 N PRO A 71 -3.809 10.814 -1.037 1.00 0.00 N ATOM 924 CA PRO A 71 -5.270 10.789 -1.153 1.00 0.00 C ATOM 925 C PRO A 71 -5.822 12.059 -1.792 1.00 0.00 C ATOM 926 O PRO A 71 -5.209 13.123 -1.710 1.00 0.00 O ATOM 927 CB PRO A 71 -5.739 10.673 0.299 1.00 0.00 C ATOM 928 CG PRO A 71 -4.631 11.259 1.104 1.00 0.00 C ATOM 929 CD PRO A 71 -3.364 10.934 0.362 1.00 0.00 C ATOM 0 HA PRO A 71 -5.615 9.976 -1.792 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -6.672 11.213 0.458 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -5.921 9.634 0.574 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -4.755 12.337 1.212 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -4.614 10.838 2.109 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -2.617 11.719 0.480 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -2.914 10.009 0.721 1.00 0.00 H new ATOM 937 N MET A 72 -6.983 11.940 -2.427 1.00 0.00 N ATOM 938 CA MET A 72 -7.619 13.080 -3.078 1.00 0.00 C ATOM 939 C MET A 72 -9.011 13.326 -2.506 1.00 0.00 C ATOM 940 O MET A 72 -9.551 14.426 -2.614 1.00 0.00 O ATOM 941 CB MET A 72 -7.708 12.847 -4.587 1.00 0.00 C ATOM 942 CG MET A 72 -6.425 13.181 -5.331 1.00 0.00 C ATOM 943 SD MET A 72 -6.719 13.665 -7.042 1.00 0.00 S ATOM 944 CE MET A 72 -6.901 12.062 -7.821 1.00 0.00 C ATOM 0 H MET A 72 -7.503 11.066 -2.505 1.00 0.00 H new ATOM 0 HA MET A 72 -7.008 13.963 -2.889 1.00 0.00 H new ATOM 0 HB2 MET A 72 -7.963 11.803 -4.771 1.00 0.00 H new ATOM 0 HB3 MET A 72 -8.521 13.450 -4.992 1.00 0.00 H new ATOM 0 HG2 MET A 72 -5.909 13.989 -4.813 1.00 0.00 H new ATOM 0 HG3 MET A 72 -5.763 12.316 -5.311 1.00 0.00 H new ATOM 0 HE1 MET A 72 -7.089 12.194 -8.887 1.00 0.00 H new ATOM 0 HE2 MET A 72 -5.987 11.484 -7.682 1.00 0.00 H new ATOM 0 HE3 MET A 72 -7.738 11.531 -7.369 1.00 0.00 H new ATOM 954 N ALA A 73 -9.587 12.294 -1.898 1.00 0.00 N ATOM 955 CA ALA A 73 -10.916 12.399 -1.308 1.00 0.00 C ATOM 956 C ALA A 73 -11.054 11.482 -0.098 1.00 0.00 C ATOM 957 O ALA A 73 -10.499 10.383 -0.055 1.00 0.00 O ATOM 958 CB ALA A 73 -11.981 12.072 -2.345 1.00 0.00 C ATOM 0 H ALA A 73 -9.154 11.376 -1.801 1.00 0.00 H new ATOM 0 HA ALA A 73 -11.056 13.426 -0.970 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -12.968 12.154 -1.891 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -11.905 12.771 -3.178 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -11.833 11.056 -2.710 1.00 0.00 H new ATOM 964 N PRO A 74 -11.809 11.941 0.911 1.00 0.00 N ATOM 965 CA PRO A 74 -12.037 11.176 2.141 1.00 0.00 C ATOM 966 C PRO A 74 -12.917 9.953 1.908 1.00 0.00 C ATOM 967 O PRO A 74 -14.077 10.075 1.517 1.00 0.00 O ATOM 968 CB PRO A 74 -12.746 12.179 3.055 1.00 0.00 C ATOM 969 CG PRO A 74 -13.403 13.140 2.126 1.00 0.00 C ATOM 970 CD PRO A 74 -12.501 13.241 0.927 1.00 0.00 C ATOM 0 HA PRO A 74 -11.109 10.783 2.555 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -13.477 11.684 3.694 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -12.038 12.685 3.712 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -14.395 12.790 1.840 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -13.533 14.113 2.599 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -13.068 13.406 0.011 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -11.799 14.069 1.021 1.00 0.00 H new ATOM 978 N GLY A 75 -12.357 8.772 2.153 1.00 0.00 N ATOM 979 CA GLY A 75 -13.105 7.543 1.965 1.00 0.00 C ATOM 980 C GLY A 75 -12.355 6.325 2.467 1.00 0.00 C ATOM 981 O GLY A 75 -11.415 6.446 3.250 1.00 0.00 O ATOM 0 H GLY A 75 -11.399 8.645 2.478 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -14.059 7.619 2.486 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -13.330 7.416 0.906 1.00 0.00 H new ATOM 985 N ASN A 76 -12.774 5.147 2.017 1.00 0.00 N ATOM 986 CA ASN A 76 -12.137 3.901 2.428 1.00 0.00 C ATOM 987 C ASN A 76 -11.318 3.306 1.286 1.00 0.00 C ATOM 988 O ASN A 76 -11.868 2.728 0.349 1.00 0.00 O ATOM 989 CB ASN A 76 -13.191 2.894 2.892 1.00 0.00 C ATOM 990 CG ASN A 76 -14.269 3.536 3.744 1.00 0.00 C ATOM 991 OD1 ASN A 76 -14.049 3.844 4.915 1.00 0.00 O ATOM 992 ND2 ASN A 76 -15.442 3.742 3.157 1.00 0.00 N ATOM 0 H ASN A 76 -13.552 5.029 1.368 1.00 0.00 H new ATOM 0 HA ASN A 76 -11.465 4.122 3.257 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -13.651 2.426 2.021 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -12.706 2.101 3.461 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -16.205 4.172 3.680 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -15.580 3.471 2.183 1.00 0.00 H new ATOM 999 N TYR A 77 -10.001 3.452 1.372 1.00 0.00 N ATOM 1000 CA TYR A 77 -9.105 2.932 0.346 1.00 0.00 C ATOM 1001 C TYR A 77 -8.669 1.507 0.675 1.00 0.00 C ATOM 1002 O TYR A 77 -7.944 1.275 1.643 1.00 0.00 O ATOM 1003 CB TYR A 77 -7.877 3.833 0.206 1.00 0.00 C ATOM 1004 CG TYR A 77 -8.189 5.196 -0.371 1.00 0.00 C ATOM 1005 CD1 TYR A 77 -8.524 6.261 0.456 1.00 0.00 C ATOM 1006 CD2 TYR A 77 -8.148 5.417 -1.742 1.00 0.00 C ATOM 1007 CE1 TYR A 77 -8.810 7.508 -0.067 1.00 0.00 C ATOM 1008 CE2 TYR A 77 -8.431 6.661 -2.273 1.00 0.00 C ATOM 1009 CZ TYR A 77 -8.762 7.702 -1.432 1.00 0.00 C ATOM 1010 OH TYR A 77 -9.046 8.942 -1.957 1.00 0.00 O ATOM 0 H TYR A 77 -9.530 3.926 2.142 1.00 0.00 H new ATOM 0 HA TYR A 77 -9.647 2.918 -0.600 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -7.416 3.959 1.185 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -7.144 3.337 -0.430 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -8.562 6.112 1.525 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -7.891 4.603 -2.404 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -9.070 8.326 0.589 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -8.393 6.817 -3.341 1.00 0.00 H new ATOM 0 HH TYR A 77 -9.558 9.464 -1.304 1.00 0.00 H new ATOM 1020 N LEU A 78 -9.117 0.556 -0.138 1.00 0.00 N ATOM 1021 CA LEU A 78 -8.774 -0.847 0.065 1.00 0.00 C ATOM 1022 C LEU A 78 -7.381 -1.151 -0.478 1.00 0.00 C ATOM 1023 O LEU A 78 -7.172 -1.189 -1.691 1.00 0.00 O ATOM 1024 CB LEU A 78 -9.806 -1.748 -0.615 1.00 0.00 C ATOM 1025 CG LEU A 78 -9.874 -3.190 -0.112 1.00 0.00 C ATOM 1026 CD1 LEU A 78 -8.483 -3.803 -0.062 1.00 0.00 C ATOM 1027 CD2 LEU A 78 -10.534 -3.247 1.258 1.00 0.00 C ATOM 0 H LEU A 78 -9.718 0.731 -0.943 1.00 0.00 H new ATOM 0 HA LEU A 78 -8.778 -1.045 1.137 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -10.790 -1.295 -0.493 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -9.594 -1.767 -1.684 1.00 0.00 H new ATOM 0 HG LEU A 78 -10.480 -3.770 -0.809 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -8.551 -4.830 0.298 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -8.047 -3.797 -1.061 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -7.854 -3.222 0.612 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -10.574 -4.281 1.600 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -9.956 -2.653 1.965 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -11.546 -2.848 1.191 1.00 0.00 H new ATOM 1039 N ILE A 79 -6.433 -1.367 0.427 1.00 0.00 N ATOM 1040 CA ILE A 79 -5.062 -1.671 0.039 1.00 0.00 C ATOM 1041 C ILE A 79 -4.817 -3.176 0.017 1.00 0.00 C ATOM 1042 O ILE A 79 -4.758 -3.821 1.064 1.00 0.00 O ATOM 1043 CB ILE A 79 -4.048 -1.011 0.992 1.00 0.00 C ATOM 1044 CG1 ILE A 79 -4.200 0.511 0.959 1.00 0.00 C ATOM 1045 CG2 ILE A 79 -2.629 -1.415 0.618 1.00 0.00 C ATOM 1046 CD1 ILE A 79 -3.543 1.209 2.129 1.00 0.00 C ATOM 0 H ILE A 79 -6.589 -1.337 1.434 1.00 0.00 H new ATOM 0 HA ILE A 79 -4.921 -1.268 -0.964 1.00 0.00 H new ATOM 0 HB ILE A 79 -4.248 -1.356 2.007 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -3.771 0.891 0.032 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -5.261 0.762 0.945 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -1.924 -0.941 1.300 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -2.529 -2.498 0.688 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -2.417 -1.096 -0.402 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -3.691 2.285 2.040 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -3.989 0.857 3.059 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -2.476 0.988 2.132 1.00 0.00 H new ATOM 1058 N ALA A 80 -4.674 -3.730 -1.183 1.00 0.00 N ATOM 1059 CA ALA A 80 -4.432 -5.158 -1.341 1.00 0.00 C ATOM 1060 C ALA A 80 -2.949 -5.443 -1.555 1.00 0.00 C ATOM 1061 O ALA A 80 -2.370 -5.041 -2.564 1.00 0.00 O ATOM 1062 CB ALA A 80 -5.249 -5.707 -2.501 1.00 0.00 C ATOM 0 H ALA A 80 -4.722 -3.211 -2.060 1.00 0.00 H new ATOM 0 HA ALA A 80 -4.743 -5.657 -0.423 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -5.058 -6.775 -2.607 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -6.309 -5.545 -2.308 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -4.966 -5.195 -3.420 1.00 0.00 H new ATOM 1068 N ILE A 81 -2.341 -6.137 -0.599 1.00 0.00 N ATOM 1069 CA ILE A 81 -0.925 -6.476 -0.684 1.00 0.00 C ATOM 1070 C ILE A 81 -0.726 -7.983 -0.801 1.00 0.00 C ATOM 1071 O ILE A 81 -1.268 -8.755 -0.010 1.00 0.00 O ATOM 1072 CB ILE A 81 -0.149 -5.960 0.542 1.00 0.00 C ATOM 1073 CG1 ILE A 81 -0.367 -4.456 0.715 1.00 0.00 C ATOM 1074 CG2 ILE A 81 1.333 -6.272 0.400 1.00 0.00 C ATOM 1075 CD1 ILE A 81 -0.113 -3.967 2.124 1.00 0.00 C ATOM 0 H ILE A 81 -2.806 -6.476 0.243 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.537 -5.991 -1.580 1.00 0.00 H new ATOM 0 HB ILE A 81 -0.524 -6.467 1.431 1.00 0.00 H new ATOM 0 HG12 ILE A 81 0.290 -3.921 0.029 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -1.391 -4.211 0.433 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.868 -5.901 1.274 1.00 0.00 H new ATOM 0 HG22 ILE A 81 1.472 -7.350 0.320 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.722 -5.789 -0.496 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -0.287 -2.892 2.173 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -0.788 -4.475 2.813 1.00 0.00 H new ATOM 0 HD13 ILE A 81 0.919 -4.181 2.403 1.00 0.00 H new ATOM 1087 N LYS A 82 0.056 -8.396 -1.792 1.00 0.00 N ATOM 1088 CA LYS A 82 0.331 -9.811 -2.012 1.00 0.00 C ATOM 1089 C LYS A 82 1.831 -10.063 -2.121 1.00 0.00 C ATOM 1090 O LYS A 82 2.612 -9.136 -2.337 1.00 0.00 O ATOM 1091 CB LYS A 82 -0.373 -10.297 -3.281 1.00 0.00 C ATOM 1092 CG LYS A 82 -1.884 -10.159 -3.229 1.00 0.00 C ATOM 1093 CD LYS A 82 -2.560 -11.034 -4.272 1.00 0.00 C ATOM 1094 CE LYS A 82 -3.972 -10.554 -4.571 1.00 0.00 C ATOM 1095 NZ LYS A 82 -4.657 -11.429 -5.563 1.00 0.00 N ATOM 0 H LYS A 82 0.511 -7.770 -2.457 1.00 0.00 H new ATOM 0 HA LYS A 82 -0.051 -10.367 -1.156 1.00 0.00 H new ATOM 0 HB2 LYS A 82 0.006 -9.735 -4.134 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -0.118 -11.343 -3.450 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -2.241 -10.433 -2.236 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -2.161 -9.117 -3.392 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -1.971 -11.030 -5.189 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -2.592 -12.065 -3.919 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -4.551 -10.530 -3.648 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -3.936 -9.533 -4.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -5.678 -11.232 -5.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -4.277 -11.241 -6.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -4.494 -12.426 -5.317 1.00 0.00 H new ATOM 1109 N TYR A 83 2.227 -11.323 -1.972 1.00 0.00 N ATOM 1110 CA TYR A 83 3.634 -11.696 -2.053 1.00 0.00 C ATOM 1111 C TYR A 83 3.787 -13.201 -2.253 1.00 0.00 C ATOM 1112 O TYR A 83 3.098 -13.997 -1.617 1.00 0.00 O ATOM 1113 CB TYR A 83 4.373 -11.261 -0.787 1.00 0.00 C ATOM 1114 CG TYR A 83 5.862 -11.087 -0.984 1.00 0.00 C ATOM 1115 CD1 TYR A 83 6.371 -9.960 -1.618 1.00 0.00 C ATOM 1116 CD2 TYR A 83 6.759 -12.048 -0.535 1.00 0.00 C ATOM 1117 CE1 TYR A 83 7.731 -9.798 -1.801 1.00 0.00 C ATOM 1118 CE2 TYR A 83 8.120 -11.893 -0.712 1.00 0.00 C ATOM 1119 CZ TYR A 83 8.601 -10.766 -1.346 1.00 0.00 C ATOM 1120 OH TYR A 83 9.956 -10.607 -1.525 1.00 0.00 O ATOM 0 H TYR A 83 1.593 -12.102 -1.795 1.00 0.00 H new ATOM 0 HA TYR A 83 4.070 -11.187 -2.912 1.00 0.00 H new ATOM 0 HB2 TYR A 83 3.949 -10.321 -0.434 1.00 0.00 H new ATOM 0 HB3 TYR A 83 4.203 -12.001 -0.005 1.00 0.00 H new ATOM 0 HD1 TYR A 83 5.693 -9.198 -1.973 1.00 0.00 H new ATOM 0 HD2 TYR A 83 6.386 -12.932 -0.039 1.00 0.00 H new ATOM 0 HE1 TYR A 83 8.111 -8.917 -2.298 1.00 0.00 H new ATOM 0 HE2 TYR A 83 8.804 -12.650 -0.356 1.00 0.00 H new ATOM 0 HH TYR A 83 10.126 -10.214 -2.407 1.00 0.00 H new ATOM 1130 N GLY A 84 4.698 -13.583 -3.144 1.00 0.00 N ATOM 1131 CA GLY A 84 4.927 -14.991 -3.413 1.00 0.00 C ATOM 1132 C GLY A 84 3.645 -15.799 -3.404 1.00 0.00 C ATOM 1133 O GLY A 84 3.510 -16.755 -2.642 1.00 0.00 O ATOM 0 H GLY A 84 5.281 -12.943 -3.684 1.00 0.00 H new ATOM 0 HA2 GLY A 84 5.413 -15.098 -4.383 1.00 0.00 H new ATOM 0 HA3 GLY A 84 5.612 -15.394 -2.667 1.00 0.00 H new ATOM 1137 N GLY A 85 2.698 -15.413 -4.255 1.00 0.00 N ATOM 1138 CA GLY A 85 1.432 -16.118 -4.325 1.00 0.00 C ATOM 1139 C GLY A 85 0.281 -15.207 -4.705 1.00 0.00 C ATOM 1140 O GLY A 85 0.248 -14.030 -4.345 1.00 0.00 O ATOM 0 H GLY A 85 2.786 -14.625 -4.897 1.00 0.00 H new ATOM 0 HA2 GLY A 85 1.509 -16.925 -5.054 1.00 0.00 H new ATOM 0 HA3 GLY A 85 1.223 -16.579 -3.360 1.00 0.00 H new ATOM 1144 N PRO A 86 -0.689 -15.754 -5.452 1.00 0.00 N ATOM 1145 CA PRO A 86 -1.864 -15.000 -5.899 1.00 0.00 C ATOM 1146 C PRO A 86 -2.806 -14.659 -4.749 1.00 0.00 C ATOM 1147 O PRO A 86 -3.798 -13.955 -4.936 1.00 0.00 O ATOM 1148 CB PRO A 86 -2.545 -15.954 -6.883 1.00 0.00 C ATOM 1149 CG PRO A 86 -2.110 -17.313 -6.456 1.00 0.00 C ATOM 1150 CD PRO A 86 -0.715 -17.151 -5.918 1.00 0.00 C ATOM 0 HA PRO A 86 -1.590 -14.040 -6.336 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -3.630 -15.855 -6.844 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -2.243 -15.746 -7.909 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -2.778 -17.715 -5.694 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -2.127 -18.009 -7.294 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -0.514 -17.849 -5.106 1.00 0.00 H new ATOM 0 HD3 PRO A 86 0.036 -17.332 -6.687 1.00 0.00 H new ATOM 1158 N GLN A 87 -2.488 -15.162 -3.561 1.00 0.00 N ATOM 1159 CA GLN A 87 -3.307 -14.910 -2.381 1.00 0.00 C ATOM 1160 C GLN A 87 -2.826 -13.668 -1.639 1.00 0.00 C ATOM 1161 O GLN A 87 -1.828 -13.053 -2.019 1.00 0.00 O ATOM 1162 CB GLN A 87 -3.278 -16.120 -1.446 1.00 0.00 C ATOM 1163 CG GLN A 87 -1.911 -16.386 -0.838 1.00 0.00 C ATOM 1164 CD GLN A 87 -1.995 -17.084 0.506 1.00 0.00 C ATOM 1165 OE1 GLN A 87 -2.927 -17.847 0.764 1.00 0.00 O ATOM 1166 NE2 GLN A 87 -1.021 -16.825 1.370 1.00 0.00 N ATOM 0 H GLN A 87 -1.670 -15.746 -3.390 1.00 0.00 H new ATOM 0 HA GLN A 87 -4.332 -14.739 -2.711 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -4.000 -15.966 -0.644 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -3.599 -17.003 -1.998 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -1.325 -16.997 -1.524 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -1.380 -15.441 -0.720 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -0.268 -16.186 1.114 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -1.025 -17.265 2.290 1.00 0.00 H new ATOM 1175 N HIS A 88 -3.541 -13.303 -0.580 1.00 0.00 N ATOM 1176 CA HIS A 88 -3.186 -12.133 0.216 1.00 0.00 C ATOM 1177 C HIS A 88 -2.285 -12.523 1.383 1.00 0.00 C ATOM 1178 O HIS A 88 -2.411 -13.615 1.939 1.00 0.00 O ATOM 1179 CB HIS A 88 -4.447 -11.444 0.738 1.00 0.00 C ATOM 1180 CG HIS A 88 -5.232 -10.743 -0.328 1.00 0.00 C ATOM 1181 ND1 HIS A 88 -5.502 -9.391 -0.299 1.00 0.00 N ATOM 1182 CD2 HIS A 88 -5.805 -11.215 -1.460 1.00 0.00 C ATOM 1183 CE1 HIS A 88 -6.208 -9.063 -1.366 1.00 0.00 C ATOM 1184 NE2 HIS A 88 -6.406 -10.151 -2.087 1.00 0.00 N ATOM 0 H HIS A 88 -4.369 -13.800 -0.253 1.00 0.00 H new ATOM 0 HA HIS A 88 -2.641 -11.440 -0.425 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -5.084 -12.187 1.218 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -4.166 -10.722 1.505 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -5.792 -12.238 -1.806 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -6.563 -8.072 -1.608 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -6.921 -10.194 -2.966 1.00 0.00 H new ATOM 1193 N ILE A 89 -1.376 -11.625 1.749 1.00 0.00 N ATOM 1194 CA ILE A 89 -0.455 -11.876 2.850 1.00 0.00 C ATOM 1195 C ILE A 89 -1.142 -11.679 4.197 1.00 0.00 C ATOM 1196 O ILE A 89 -2.136 -10.961 4.300 1.00 0.00 O ATOM 1197 CB ILE A 89 0.777 -10.955 2.774 1.00 0.00 C ATOM 1198 CG1 ILE A 89 0.354 -9.490 2.899 1.00 0.00 C ATOM 1199 CG2 ILE A 89 1.531 -11.185 1.473 1.00 0.00 C ATOM 1200 CD1 ILE A 89 1.415 -8.605 3.515 1.00 0.00 C ATOM 0 H ILE A 89 -1.258 -10.717 1.299 1.00 0.00 H new ATOM 0 HA ILE A 89 -0.129 -12.912 2.760 1.00 0.00 H new ATOM 0 HB ILE A 89 1.442 -11.194 3.604 1.00 0.00 H new ATOM 0 HG12 ILE A 89 0.103 -9.107 1.910 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -0.552 -9.432 3.503 1.00 0.00 H new ATOM 0 HG21 ILE A 89 2.399 -10.527 1.434 1.00 0.00 H new ATOM 0 HG22 ILE A 89 1.860 -12.223 1.422 1.00 0.00 H new ATOM 0 HG23 ILE A 89 0.875 -10.970 0.629 1.00 0.00 H new ATOM 0 HD11 ILE A 89 1.046 -7.581 3.572 1.00 0.00 H new ATOM 0 HD12 ILE A 89 1.650 -8.963 4.517 1.00 0.00 H new ATOM 0 HD13 ILE A 89 2.314 -8.633 2.900 1.00 0.00 H new ATOM 1212 N VAL A 90 -0.603 -12.319 5.230 1.00 0.00 N ATOM 1213 CA VAL A 90 -1.161 -12.212 6.572 1.00 0.00 C ATOM 1214 C VAL A 90 -1.497 -10.765 6.914 1.00 0.00 C ATOM 1215 O VAL A 90 -0.621 -9.901 6.933 1.00 0.00 O ATOM 1216 CB VAL A 90 -0.188 -12.765 7.630 1.00 0.00 C ATOM 1217 CG1 VAL A 90 1.210 -12.207 7.414 1.00 0.00 C ATOM 1218 CG2 VAL A 90 -0.688 -12.446 9.031 1.00 0.00 C ATOM 0 H VAL A 90 0.220 -12.917 5.162 1.00 0.00 H new ATOM 0 HA VAL A 90 -2.075 -12.806 6.583 1.00 0.00 H new ATOM 0 HB VAL A 90 -0.140 -13.849 7.524 1.00 0.00 H new ATOM 0 HG11 VAL A 90 1.883 -12.609 8.171 1.00 0.00 H new ATOM 0 HG12 VAL A 90 1.566 -12.491 6.424 1.00 0.00 H new ATOM 0 HG13 VAL A 90 1.184 -11.120 7.492 1.00 0.00 H new ATOM 0 HG21 VAL A 90 0.011 -12.844 9.766 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -0.766 -11.366 9.152 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -1.668 -12.900 9.180 1.00 0.00 H new ATOM 1228 N GLY A 91 -2.773 -10.507 7.183 1.00 0.00 N ATOM 1229 CA GLY A 91 -3.203 -9.162 7.521 1.00 0.00 C ATOM 1230 C GLY A 91 -3.994 -8.509 6.405 1.00 0.00 C ATOM 1231 O GLY A 91 -4.960 -7.789 6.659 1.00 0.00 O ATOM 0 H GLY A 91 -3.517 -11.205 7.173 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -3.813 -9.195 8.424 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -2.330 -8.551 7.749 1.00 0.00 H new ATOM 1235 N SER A 92 -3.584 -8.759 5.166 1.00 0.00 N ATOM 1236 CA SER A 92 -4.258 -8.185 4.007 1.00 0.00 C ATOM 1237 C SER A 92 -5.611 -8.852 3.781 1.00 0.00 C ATOM 1238 O SER A 92 -5.837 -10.001 4.162 1.00 0.00 O ATOM 1239 CB SER A 92 -3.387 -8.334 2.758 1.00 0.00 C ATOM 1240 OG SER A 92 -2.257 -7.481 2.819 1.00 0.00 O ATOM 0 H SER A 92 -2.788 -9.355 4.939 1.00 0.00 H new ATOM 0 HA SER A 92 -4.423 -7.125 4.201 1.00 0.00 H new ATOM 0 HB2 SER A 92 -3.060 -9.369 2.660 1.00 0.00 H new ATOM 0 HB3 SER A 92 -3.975 -8.100 1.871 1.00 0.00 H new ATOM 0 HG SER A 92 -2.360 -6.854 3.565 1.00 0.00 H new ATOM 1246 N PRO A 93 -6.534 -8.116 3.144 1.00 0.00 N ATOM 1247 CA PRO A 93 -6.276 -6.747 2.686 1.00 0.00 C ATOM 1248 C PRO A 93 -6.147 -5.763 3.844 1.00 0.00 C ATOM 1249 O PRO A 93 -6.270 -6.141 5.009 1.00 0.00 O ATOM 1250 CB PRO A 93 -7.509 -6.419 1.840 1.00 0.00 C ATOM 1251 CG PRO A 93 -8.583 -7.299 2.378 1.00 0.00 C ATOM 1252 CD PRO A 93 -7.900 -8.562 2.823 1.00 0.00 C ATOM 0 HA PRO A 93 -5.335 -6.669 2.141 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -7.779 -5.367 1.926 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -7.328 -6.616 0.783 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -9.099 -6.820 3.210 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -9.334 -7.509 1.616 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -8.393 -9.002 3.690 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -7.902 -9.318 2.038 1.00 0.00 H new ATOM 1260 N PHE A 94 -5.899 -4.500 3.515 1.00 0.00 N ATOM 1261 CA PHE A 94 -5.753 -3.461 4.528 1.00 0.00 C ATOM 1262 C PHE A 94 -6.742 -2.324 4.288 1.00 0.00 C ATOM 1263 O PHE A 94 -6.781 -1.737 3.206 1.00 0.00 O ATOM 1264 CB PHE A 94 -4.323 -2.917 4.528 1.00 0.00 C ATOM 1265 CG PHE A 94 -3.339 -3.818 5.217 1.00 0.00 C ATOM 1266 CD1 PHE A 94 -3.234 -3.825 6.598 1.00 0.00 C ATOM 1267 CD2 PHE A 94 -2.519 -4.660 4.482 1.00 0.00 C ATOM 1268 CE1 PHE A 94 -2.328 -4.653 7.234 1.00 0.00 C ATOM 1269 CE2 PHE A 94 -1.611 -5.490 5.112 1.00 0.00 C ATOM 1270 CZ PHE A 94 -1.517 -5.488 6.490 1.00 0.00 C ATOM 0 H PHE A 94 -5.795 -4.171 2.555 1.00 0.00 H new ATOM 0 HA PHE A 94 -5.966 -3.904 5.501 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -4.002 -2.762 3.498 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -4.314 -1.942 5.015 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -3.867 -3.176 7.185 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -2.590 -4.668 3.404 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -2.254 -4.647 8.311 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -0.976 -6.139 4.528 1.00 0.00 H new ATOM 0 HZ PHE A 94 -0.811 -6.138 6.985 1.00 0.00 H new ATOM 1280 N LYS A 95 -7.542 -2.019 5.304 1.00 0.00 N ATOM 1281 CA LYS A 95 -8.531 -0.952 5.206 1.00 0.00 C ATOM 1282 C LYS A 95 -7.940 0.381 5.654 1.00 0.00 C ATOM 1283 O LYS A 95 -7.504 0.525 6.796 1.00 0.00 O ATOM 1284 CB LYS A 95 -9.759 -1.289 6.055 1.00 0.00 C ATOM 1285 CG LYS A 95 -10.888 -0.282 5.917 1.00 0.00 C ATOM 1286 CD LYS A 95 -11.654 -0.477 4.619 1.00 0.00 C ATOM 1287 CE LYS A 95 -12.557 -1.699 4.683 1.00 0.00 C ATOM 1288 NZ LYS A 95 -13.906 -1.364 5.217 1.00 0.00 N ATOM 0 H LYS A 95 -7.525 -2.496 6.205 1.00 0.00 H new ATOM 0 HA LYS A 95 -8.831 -0.863 4.162 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -10.126 -2.275 5.772 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -9.462 -1.348 7.102 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -11.570 -0.381 6.761 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -10.482 0.729 5.952 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -12.254 0.409 4.413 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -10.951 -0.586 3.793 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -12.657 -2.129 3.686 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -12.095 -2.459 5.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -14.491 -2.223 5.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -13.813 -0.977 6.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -14.357 -0.657 4.602 1.00 0.00 H new ATOM 1302 N ALA A 96 -7.932 1.353 4.748 1.00 0.00 N ATOM 1303 CA ALA A 96 -7.398 2.675 5.052 1.00 0.00 C ATOM 1304 C ALA A 96 -8.500 3.729 5.035 1.00 0.00 C ATOM 1305 O ALA A 96 -9.138 3.960 4.007 1.00 0.00 O ATOM 1306 CB ALA A 96 -6.300 3.041 4.063 1.00 0.00 C ATOM 0 H ALA A 96 -8.289 1.250 3.798 1.00 0.00 H new ATOM 0 HA ALA A 96 -6.974 2.646 6.056 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -5.910 4.031 4.302 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -5.495 2.309 4.126 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.708 3.046 3.052 1.00 0.00 H new ATOM 1312 N LYS A 97 -8.720 4.366 6.180 1.00 0.00 N ATOM 1313 CA LYS A 97 -9.745 5.397 6.298 1.00 0.00 C ATOM 1314 C LYS A 97 -9.115 6.783 6.384 1.00 0.00 C ATOM 1315 O LYS A 97 -8.606 7.181 7.432 1.00 0.00 O ATOM 1316 CB LYS A 97 -10.614 5.142 7.532 1.00 0.00 C ATOM 1317 CG LYS A 97 -11.847 6.027 7.601 1.00 0.00 C ATOM 1318 CD LYS A 97 -12.870 5.482 8.584 1.00 0.00 C ATOM 1319 CE LYS A 97 -13.865 6.553 9.002 1.00 0.00 C ATOM 1320 NZ LYS A 97 -14.729 6.098 10.127 1.00 0.00 N ATOM 0 H LYS A 97 -8.202 4.186 7.040 1.00 0.00 H new ATOM 0 HA LYS A 97 -10.370 5.357 5.406 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -10.926 4.098 7.537 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -10.013 5.299 8.428 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -11.557 7.035 7.898 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -12.297 6.104 6.611 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -13.402 4.646 8.131 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -12.359 5.094 9.465 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -13.327 7.453 9.299 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -14.489 6.821 8.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -15.394 6.856 10.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -15.262 5.254 9.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -14.135 5.866 10.949 1.00 0.00 H new ATOM 1334 N VAL A 98 -9.154 7.516 5.276 1.00 0.00 N ATOM 1335 CA VAL A 98 -8.590 8.859 5.227 1.00 0.00 C ATOM 1336 C VAL A 98 -9.636 9.909 5.586 1.00 0.00 C ATOM 1337 O VAL A 98 -10.766 9.868 5.097 1.00 0.00 O ATOM 1338 CB VAL A 98 -8.016 9.177 3.834 1.00 0.00 C ATOM 1339 CG1 VAL A 98 -7.458 10.591 3.796 1.00 0.00 C ATOM 1340 CG2 VAL A 98 -6.948 8.163 3.454 1.00 0.00 C ATOM 0 H VAL A 98 -9.571 7.202 4.400 1.00 0.00 H new ATOM 0 HA VAL A 98 -7.783 8.889 5.959 1.00 0.00 H new ATOM 0 HB VAL A 98 -8.823 9.111 3.104 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -7.057 10.797 2.804 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -8.253 11.302 4.021 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -6.664 10.689 4.536 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -6.553 8.403 2.467 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -6.140 8.194 4.185 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -7.384 7.164 3.437 1.00 0.00 H new ATOM 1350 N THR A 99 -9.253 10.850 6.443 1.00 0.00 N ATOM 1351 CA THR A 99 -10.158 11.910 6.868 1.00 0.00 C ATOM 1352 C THR A 99 -9.767 13.247 6.249 1.00 0.00 C ATOM 1353 O THR A 99 -8.699 13.378 5.653 1.00 0.00 O ATOM 1354 CB THR A 99 -10.175 12.053 8.402 1.00 0.00 C ATOM 1355 OG1 THR A 99 -9.063 12.846 8.832 1.00 0.00 O ATOM 1356 CG2 THR A 99 -10.122 10.689 9.073 1.00 0.00 C ATOM 0 H THR A 99 -8.322 10.899 6.856 1.00 0.00 H new ATOM 0 HA THR A 99 -11.155 11.631 6.525 1.00 0.00 H new ATOM 0 HB THR A 99 -11.104 12.545 8.689 1.00 0.00 H new ATOM 0 HG1 THR A 99 -9.082 12.934 9.808 1.00 0.00 H new ATOM 0 HG21 THR A 99 -10.135 10.815 10.156 1.00 0.00 H new ATOM 0 HG22 THR A 99 -10.985 10.099 8.766 1.00 0.00 H new ATOM 0 HG23 THR A 99 -9.207 10.174 8.779 1.00 0.00 H new ATOM 1364 N GLY A 100 -10.641 14.239 6.393 1.00 0.00 N ATOM 1365 CA GLY A 100 -10.368 15.554 5.843 1.00 0.00 C ATOM 1366 C GLY A 100 -11.225 15.865 4.632 1.00 0.00 C ATOM 1367 O GLY A 100 -11.796 14.973 4.004 1.00 0.00 O ATOM 0 H GLY A 100 -11.533 14.155 6.881 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -10.541 16.309 6.610 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -9.316 15.617 5.566 1.00 0.00 H new ATOM 1371 N PRO A 101 -11.326 17.158 4.290 1.00 0.00 N ATOM 1372 CA PRO A 101 -12.119 17.614 3.144 1.00 0.00 C ATOM 1373 C PRO A 101 -11.499 17.208 1.812 1.00 0.00 C ATOM 1374 O PRO A 101 -10.277 17.197 1.662 1.00 0.00 O ATOM 1375 CB PRO A 101 -12.115 19.137 3.294 1.00 0.00 C ATOM 1376 CG PRO A 101 -10.876 19.439 4.065 1.00 0.00 C ATOM 1377 CD PRO A 101 -10.673 18.274 4.994 1.00 0.00 C ATOM 0 HA PRO A 101 -13.117 17.175 3.138 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -12.107 19.630 2.322 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -13.004 19.485 3.821 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -10.022 19.561 3.399 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -10.980 20.370 4.623 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -9.615 18.077 5.166 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -11.126 18.454 5.969 1.00 0.00 H new