USER MOD reduce.3.24.130724 H: found=0, std=0, add=647, rem=0, adj=23 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 25 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 99 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 52 SER OG : rot -69:sc= -0.129 USER MOD Set 2.2: A 77 TYR OH : rot -13:sc= 1.32 USER MOD Set 3.1: A 36 THR OG1 : rot 150:sc= 0 USER MOD Set 3.2: A 65 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 161:sc= 0.258 USER MOD Single : A 26 THR OG1 : rot 177:sc= 0.434 USER MOD Single : A 29 SER OG : rot 31:sc= 0.296 USER MOD Single : A 30 SER OG : rot 52:sc= 0.333 USER MOD Single : A 35 ASN : amide:sc= -0.0419 X(o=-0.042,f=0) USER MOD Single : A 38 ASN : amide:sc= -0.458 X(o=-0.46,f=0) USER MOD Single : A 41 SER OG : rot 180:sc= -0.0956 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.564 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -0.0443 K(o=-0.044,f=-0.91) USER MOD Single : A 58 CYS SG : rot 180:sc= 0 USER MOD Single : A 61 CYS SG : rot 110:sc= -4.98! USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.0149 USER MOD Single : A 69 TYR OH : rot -20:sc= 0.218 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl 162:sc= -0.185 (180deg=-0.768) USER MOD Single : A 76 ASN : amide:sc= -0.135 X(o=-0.13,f=0) USER MOD Single : A 82 LYS NZ :NH3+ 160:sc= -0.0192 (180deg=-0.196) USER MOD Single : A 83 TYR OH : rot 150:sc= -2.51! USER MOD Single : A 87 GLN : amide:sc= -0.652 X(o=-0.65,f=-0.37) USER MOD Single : A 88 HIS : no HD1:sc= -1.11 K(o=-1.1,f=-2.6) USER MOD Single : A 92 SER OG : rot 4:sc= 0.289 USER MOD Single : A 95 LYS NZ :NH3+ -115:sc= 0 (180deg=-1.14) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 83 N ASP A 10 7.314 -17.303 1.376 1.00 0.00 N ATOM 84 CA ASP A 10 6.377 -17.503 2.475 1.00 0.00 C ATOM 85 C ASP A 10 5.629 -16.213 2.794 1.00 0.00 C ATOM 86 O ASP A 10 6.184 -15.266 3.352 1.00 0.00 O ATOM 87 CB ASP A 10 7.115 -17.999 3.719 1.00 0.00 C ATOM 88 CG ASP A 10 7.513 -19.458 3.613 1.00 0.00 C ATOM 89 OD1 ASP A 10 6.670 -20.327 3.920 1.00 0.00 O ATOM 90 OD2 ASP A 10 8.668 -19.731 3.222 1.00 0.00 O ATOM 0 HA ASP A 10 5.651 -18.256 2.168 1.00 0.00 H new ATOM 0 HB2 ASP A 10 8.007 -17.392 3.875 1.00 0.00 H new ATOM 0 HB3 ASP A 10 6.480 -17.861 4.594 1.00 0.00 H new ATOM 95 N PRO A 11 4.338 -16.171 2.430 1.00 0.00 N ATOM 96 CA PRO A 11 3.486 -15.002 2.667 1.00 0.00 C ATOM 97 C PRO A 11 3.178 -14.799 4.146 1.00 0.00 C ATOM 98 O PRO A 11 3.121 -13.669 4.629 1.00 0.00 O ATOM 99 CB PRO A 11 2.207 -15.333 1.894 1.00 0.00 C ATOM 100 CG PRO A 11 2.176 -16.821 1.833 1.00 0.00 C ATOM 101 CD PRO A 11 3.611 -17.263 1.761 1.00 0.00 C ATOM 0 HA PRO A 11 3.966 -14.077 2.348 1.00 0.00 H new ATOM 0 HB2 PRO A 11 1.326 -14.939 2.400 1.00 0.00 H new ATOM 0 HB3 PRO A 11 2.224 -14.896 0.896 1.00 0.00 H new ATOM 0 HG2 PRO A 11 1.683 -17.237 2.712 1.00 0.00 H new ATOM 0 HG3 PRO A 11 1.618 -17.164 0.962 1.00 0.00 H new ATOM 0 HD2 PRO A 11 3.764 -18.216 2.267 1.00 0.00 H new ATOM 0 HD3 PRO A 11 3.940 -17.393 0.730 1.00 0.00 H new ATOM 109 N GLY A 12 2.980 -15.902 4.862 1.00 0.00 N ATOM 110 CA GLY A 12 2.680 -15.823 6.279 1.00 0.00 C ATOM 111 C GLY A 12 3.748 -15.081 7.058 1.00 0.00 C ATOM 112 O GLY A 12 3.507 -14.620 8.174 1.00 0.00 O ATOM 0 H GLY A 12 3.022 -16.849 4.485 1.00 0.00 H new ATOM 0 HA2 GLY A 12 1.721 -15.323 6.417 1.00 0.00 H new ATOM 0 HA3 GLY A 12 2.575 -16.830 6.682 1.00 0.00 H new ATOM 116 N LEU A 13 4.934 -14.967 6.470 1.00 0.00 N ATOM 117 CA LEU A 13 6.045 -14.277 7.116 1.00 0.00 C ATOM 118 C LEU A 13 6.177 -12.849 6.596 1.00 0.00 C ATOM 119 O LEU A 13 7.227 -12.222 6.731 1.00 0.00 O ATOM 120 CB LEU A 13 7.350 -15.040 6.881 1.00 0.00 C ATOM 121 CG LEU A 13 7.318 -16.536 7.193 1.00 0.00 C ATOM 122 CD1 LEU A 13 8.709 -17.139 7.061 1.00 0.00 C ATOM 123 CD2 LEU A 13 6.760 -16.779 8.588 1.00 0.00 C ATOM 0 H LEU A 13 5.151 -15.343 5.547 1.00 0.00 H new ATOM 0 HA LEU A 13 5.842 -14.236 8.186 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.639 -14.913 5.838 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.131 -14.580 7.486 1.00 0.00 H new ATOM 0 HG LEU A 13 6.663 -17.024 6.471 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.667 -18.205 7.287 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.072 -16.998 6.043 1.00 0.00 H new ATOM 0 HD13 LEU A 13 9.387 -16.647 7.759 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.745 -17.850 8.792 1.00 0.00 H new ATOM 0 HD22 LEU A 13 7.389 -16.278 9.324 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.746 -16.384 8.648 1.00 0.00 H new ATOM 135 N VAL A 14 5.102 -12.340 6.002 1.00 0.00 N ATOM 136 CA VAL A 14 5.096 -10.985 5.464 1.00 0.00 C ATOM 137 C VAL A 14 4.065 -10.116 6.176 1.00 0.00 C ATOM 138 O VAL A 14 2.928 -10.535 6.393 1.00 0.00 O ATOM 139 CB VAL A 14 4.797 -10.982 3.953 1.00 0.00 C ATOM 140 CG1 VAL A 14 4.746 -9.558 3.421 1.00 0.00 C ATOM 141 CG2 VAL A 14 5.835 -11.804 3.203 1.00 0.00 C ATOM 0 H VAL A 14 4.224 -12.846 5.881 1.00 0.00 H new ATOM 0 HA VAL A 14 6.092 -10.574 5.631 1.00 0.00 H new ATOM 0 HB VAL A 14 3.820 -11.439 3.793 1.00 0.00 H new ATOM 0 HG11 VAL A 14 4.534 -9.576 2.352 1.00 0.00 H new ATOM 0 HG12 VAL A 14 3.962 -9.005 3.937 1.00 0.00 H new ATOM 0 HG13 VAL A 14 5.706 -9.071 3.592 1.00 0.00 H new ATOM 0 HG21 VAL A 14 5.608 -11.791 2.137 1.00 0.00 H new ATOM 0 HG22 VAL A 14 6.825 -11.379 3.369 1.00 0.00 H new ATOM 0 HG23 VAL A 14 5.816 -12.832 3.565 1.00 0.00 H new ATOM 151 N SER A 15 4.471 -8.903 6.537 1.00 0.00 N ATOM 152 CA SER A 15 3.584 -7.975 7.229 1.00 0.00 C ATOM 153 C SER A 15 3.870 -6.536 6.810 1.00 0.00 C ATOM 154 O SER A 15 5.011 -6.178 6.520 1.00 0.00 O ATOM 155 CB SER A 15 3.742 -8.118 8.744 1.00 0.00 C ATOM 156 OG SER A 15 5.076 -7.859 9.144 1.00 0.00 O ATOM 0 H SER A 15 5.408 -8.540 6.362 1.00 0.00 H new ATOM 0 HA SER A 15 2.558 -8.219 6.954 1.00 0.00 H new ATOM 0 HB2 SER A 15 3.067 -7.428 9.250 1.00 0.00 H new ATOM 0 HB3 SER A 15 3.456 -9.125 9.049 1.00 0.00 H new ATOM 0 HG SER A 15 5.150 -7.955 10.116 1.00 0.00 H new ATOM 162 N ALA A 16 2.825 -5.715 6.781 1.00 0.00 N ATOM 163 CA ALA A 16 2.963 -4.315 6.401 1.00 0.00 C ATOM 164 C ALA A 16 2.469 -3.393 7.510 1.00 0.00 C ATOM 165 O ALA A 16 1.406 -3.617 8.089 1.00 0.00 O ATOM 166 CB ALA A 16 2.206 -4.043 5.109 1.00 0.00 C ATOM 0 H ALA A 16 1.873 -5.996 7.016 1.00 0.00 H new ATOM 0 HA ALA A 16 4.021 -4.110 6.240 1.00 0.00 H new ATOM 0 HB1 ALA A 16 2.317 -2.994 4.836 1.00 0.00 H new ATOM 0 HB2 ALA A 16 2.608 -4.669 4.313 1.00 0.00 H new ATOM 0 HB3 ALA A 16 1.150 -4.271 5.251 1.00 0.00 H new ATOM 172 N TYR A 17 3.248 -2.357 7.802 1.00 0.00 N ATOM 173 CA TYR A 17 2.891 -1.403 8.845 1.00 0.00 C ATOM 174 C TYR A 17 3.107 0.030 8.369 1.00 0.00 C ATOM 175 O TYR A 17 4.015 0.307 7.587 1.00 0.00 O ATOM 176 CB TYR A 17 3.715 -1.663 10.107 1.00 0.00 C ATOM 177 CG TYR A 17 5.207 -1.668 9.865 1.00 0.00 C ATOM 178 CD1 TYR A 17 5.903 -0.482 9.669 1.00 0.00 C ATOM 179 CD2 TYR A 17 5.921 -2.860 9.832 1.00 0.00 C ATOM 180 CE1 TYR A 17 7.267 -0.482 9.447 1.00 0.00 C ATOM 181 CE2 TYR A 17 7.285 -2.869 9.612 1.00 0.00 C ATOM 182 CZ TYR A 17 7.953 -1.678 9.420 1.00 0.00 C ATOM 183 OH TYR A 17 9.311 -1.684 9.199 1.00 0.00 O ATOM 0 H TYR A 17 4.130 -2.157 7.331 1.00 0.00 H new ATOM 0 HA TYR A 17 1.834 -1.534 9.076 1.00 0.00 H new ATOM 0 HB2 TYR A 17 3.478 -0.900 10.849 1.00 0.00 H new ATOM 0 HB3 TYR A 17 3.421 -2.623 10.532 1.00 0.00 H new ATOM 0 HD1 TYR A 17 5.369 0.456 9.690 1.00 0.00 H new ATOM 0 HD2 TYR A 17 5.401 -3.795 9.981 1.00 0.00 H new ATOM 0 HE1 TYR A 17 7.793 0.449 9.296 1.00 0.00 H new ATOM 0 HE2 TYR A 17 7.825 -3.804 9.591 1.00 0.00 H new ATOM 0 HH TYR A 17 9.688 -2.536 9.503 1.00 0.00 H new ATOM 193 N GLY A 18 2.264 0.940 8.849 1.00 0.00 N ATOM 194 CA GLY A 18 2.378 2.334 8.463 1.00 0.00 C ATOM 195 C GLY A 18 1.047 3.058 8.502 1.00 0.00 C ATOM 196 O GLY A 18 -0.016 2.443 8.589 1.00 0.00 O ATOM 0 H GLY A 18 1.504 0.736 9.498 1.00 0.00 H new ATOM 0 HA2 GLY A 18 3.080 2.836 9.129 1.00 0.00 H new ATOM 0 HA3 GLY A 18 2.792 2.396 7.457 1.00 0.00 H new ATOM 200 N PRO A 19 1.095 4.397 8.440 1.00 0.00 N ATOM 201 CA PRO A 19 -0.108 5.234 8.469 1.00 0.00 C ATOM 202 C PRO A 19 -0.933 5.107 7.193 1.00 0.00 C ATOM 203 O PRO A 19 -2.123 5.422 7.178 1.00 0.00 O ATOM 204 CB PRO A 19 0.451 6.653 8.605 1.00 0.00 C ATOM 205 CG PRO A 19 1.821 6.578 8.025 1.00 0.00 C ATOM 206 CD PRO A 19 2.327 5.197 8.336 1.00 0.00 C ATOM 0 HA PRO A 19 -0.784 4.948 9.275 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -0.166 7.375 8.070 1.00 0.00 H new ATOM 0 HB3 PRO A 19 0.479 6.969 9.648 1.00 0.00 H new ATOM 0 HG2 PRO A 19 1.799 6.753 6.949 1.00 0.00 H new ATOM 0 HG3 PRO A 19 2.471 7.338 8.459 1.00 0.00 H new ATOM 0 HD2 PRO A 19 2.984 4.823 7.550 1.00 0.00 H new ATOM 0 HD3 PRO A 19 2.898 5.178 9.264 1.00 0.00 H new ATOM 214 N GLY A 20 -0.294 4.642 6.124 1.00 0.00 N ATOM 215 CA GLY A 20 -0.986 4.481 4.858 1.00 0.00 C ATOM 216 C GLY A 20 -1.950 3.312 4.869 1.00 0.00 C ATOM 217 O GLY A 20 -2.939 3.306 4.134 1.00 0.00 O ATOM 0 H GLY A 20 0.690 4.374 6.112 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -1.532 5.396 4.627 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -0.254 4.337 4.063 1.00 0.00 H new ATOM 221 N LEU A 21 -1.664 2.319 5.703 1.00 0.00 N ATOM 222 CA LEU A 21 -2.513 1.137 5.806 1.00 0.00 C ATOM 223 C LEU A 21 -3.705 1.400 6.721 1.00 0.00 C ATOM 224 O LEU A 21 -4.807 0.912 6.475 1.00 0.00 O ATOM 225 CB LEU A 21 -1.705 -0.051 6.332 1.00 0.00 C ATOM 226 CG LEU A 21 -0.376 -0.325 5.626 1.00 0.00 C ATOM 227 CD1 LEU A 21 0.551 -1.127 6.525 1.00 0.00 C ATOM 228 CD2 LEU A 21 -0.611 -1.055 4.312 1.00 0.00 C ATOM 0 H LEU A 21 -0.850 2.308 6.318 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.888 0.902 4.810 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.504 0.112 7.391 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.323 -0.946 6.259 1.00 0.00 H new ATOM 0 HG LEU A 21 0.101 0.630 5.408 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.491 -1.312 6.006 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.746 -0.567 7.439 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.082 -2.078 6.776 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.345 -1.242 3.823 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.110 -2.004 4.507 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.237 -0.443 3.663 1.00 0.00 H new ATOM 240 N GLU A 22 -3.475 2.177 7.775 1.00 0.00 N ATOM 241 CA GLU A 22 -4.531 2.506 8.725 1.00 0.00 C ATOM 242 C GLU A 22 -5.297 3.748 8.279 1.00 0.00 C ATOM 243 O GLU A 22 -6.429 3.978 8.701 1.00 0.00 O ATOM 244 CB GLU A 22 -3.941 2.731 10.119 1.00 0.00 C ATOM 245 CG GLU A 22 -3.766 1.451 10.920 1.00 0.00 C ATOM 246 CD GLU A 22 -3.385 1.714 12.364 1.00 0.00 C ATOM 247 OE1 GLU A 22 -2.208 2.045 12.616 1.00 0.00 O ATOM 248 OE2 GLU A 22 -4.265 1.589 13.241 1.00 0.00 O ATOM 0 H GLU A 22 -2.568 2.590 7.992 1.00 0.00 H new ATOM 0 HA GLU A 22 -5.225 1.666 8.763 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.973 3.223 10.020 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -4.588 3.411 10.673 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -4.694 0.879 10.891 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.998 0.836 10.452 1.00 0.00 H new ATOM 255 N GLY A 23 -4.669 4.547 7.421 1.00 0.00 N ATOM 256 CA GLY A 23 -5.305 5.756 6.932 1.00 0.00 C ATOM 257 C GLY A 23 -4.653 7.014 7.472 1.00 0.00 C ATOM 258 O GLY A 23 -3.676 6.944 8.217 1.00 0.00 O ATOM 0 H GLY A 23 -3.732 4.378 7.056 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -5.265 5.769 5.843 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -6.358 5.747 7.212 1.00 0.00 H new ATOM 262 N GLY A 24 -5.194 8.168 7.094 1.00 0.00 N ATOM 263 CA GLY A 24 -4.645 9.430 7.554 1.00 0.00 C ATOM 264 C GLY A 24 -5.542 10.607 7.225 1.00 0.00 C ATOM 265 O GLY A 24 -6.695 10.657 7.653 1.00 0.00 O ATOM 0 H GLY A 24 -6.002 8.251 6.478 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -4.492 9.384 8.632 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.667 9.584 7.099 1.00 0.00 H new ATOM 269 N THR A 25 -5.011 11.559 6.463 1.00 0.00 N ATOM 270 CA THR A 25 -5.770 12.743 6.080 1.00 0.00 C ATOM 271 C THR A 25 -5.622 13.033 4.591 1.00 0.00 C ATOM 272 O THR A 25 -4.616 12.676 3.975 1.00 0.00 O ATOM 273 CB THR A 25 -5.323 13.981 6.879 1.00 0.00 C ATOM 274 OG1 THR A 25 -5.723 13.851 8.248 1.00 0.00 O ATOM 275 CG2 THR A 25 -5.919 15.250 6.290 1.00 0.00 C ATOM 0 H THR A 25 -4.058 11.533 6.099 1.00 0.00 H new ATOM 0 HA THR A 25 -6.816 12.533 6.305 1.00 0.00 H new ATOM 0 HB THR A 25 -4.237 14.049 6.823 1.00 0.00 H new ATOM 0 HG1 THR A 25 -5.434 14.641 8.750 1.00 0.00 H new ATOM 0 HG21 THR A 25 -5.589 16.111 6.871 1.00 0.00 H new ATOM 0 HG22 THR A 25 -5.589 15.362 5.257 1.00 0.00 H new ATOM 0 HG23 THR A 25 -7.007 15.188 6.319 1.00 0.00 H new ATOM 283 N THR A 26 -6.629 13.683 4.015 1.00 0.00 N ATOM 284 CA THR A 26 -6.610 14.020 2.598 1.00 0.00 C ATOM 285 C THR A 26 -5.460 14.967 2.273 1.00 0.00 C ATOM 286 O THR A 26 -5.007 15.725 3.129 1.00 0.00 O ATOM 287 CB THR A 26 -7.935 14.671 2.158 1.00 0.00 C ATOM 288 OG1 THR A 26 -8.269 15.747 3.041 1.00 0.00 O ATOM 289 CG2 THR A 26 -9.062 13.649 2.145 1.00 0.00 C ATOM 0 H THR A 26 -7.468 13.986 4.509 1.00 0.00 H new ATOM 0 HA THR A 26 -6.473 13.086 2.053 1.00 0.00 H new ATOM 0 HB THR A 26 -7.806 15.058 1.147 1.00 0.00 H new ATOM 0 HG1 THR A 26 -9.090 16.183 2.730 1.00 0.00 H new ATOM 0 HG21 THR A 26 -9.987 14.132 1.831 1.00 0.00 H new ATOM 0 HG22 THR A 26 -8.817 12.846 1.449 1.00 0.00 H new ATOM 0 HG23 THR A 26 -9.190 13.235 3.145 1.00 0.00 H new ATOM 297 N GLY A 27 -4.991 14.917 1.030 1.00 0.00 N ATOM 298 CA GLY A 27 -3.897 15.775 0.614 1.00 0.00 C ATOM 299 C GLY A 27 -2.682 15.640 1.509 1.00 0.00 C ATOM 300 O GLY A 27 -1.946 16.605 1.719 1.00 0.00 O ATOM 0 H GLY A 27 -5.349 14.297 0.303 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -3.618 15.532 -0.411 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -4.232 16.812 0.615 1.00 0.00 H new ATOM 304 N VAL A 28 -2.471 14.440 2.041 1.00 0.00 N ATOM 305 CA VAL A 28 -1.336 14.182 2.920 1.00 0.00 C ATOM 306 C VAL A 28 -0.605 12.908 2.513 1.00 0.00 C ATOM 307 O VAL A 28 -1.190 11.825 2.489 1.00 0.00 O ATOM 308 CB VAL A 28 -1.781 14.060 4.389 1.00 0.00 C ATOM 309 CG1 VAL A 28 -0.594 13.727 5.280 1.00 0.00 C ATOM 310 CG2 VAL A 28 -2.460 15.341 4.848 1.00 0.00 C ATOM 0 H VAL A 28 -3.071 13.631 1.879 1.00 0.00 H new ATOM 0 HA VAL A 28 -0.660 15.031 2.823 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.502 13.246 4.466 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.927 13.645 6.314 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -0.156 12.780 4.964 1.00 0.00 H new ATOM 0 HG13 VAL A 28 0.153 14.517 5.201 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -2.768 15.237 5.888 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.764 16.175 4.757 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.336 15.531 4.228 1.00 0.00 H new ATOM 320 N SER A 29 0.678 13.044 2.194 1.00 0.00 N ATOM 321 CA SER A 29 1.490 11.904 1.786 1.00 0.00 C ATOM 322 C SER A 29 1.357 10.757 2.783 1.00 0.00 C ATOM 323 O SER A 29 1.689 10.901 3.959 1.00 0.00 O ATOM 324 CB SER A 29 2.958 12.315 1.657 1.00 0.00 C ATOM 325 OG SER A 29 3.451 12.832 2.881 1.00 0.00 O ATOM 0 H SER A 29 1.178 13.933 2.210 1.00 0.00 H new ATOM 0 HA SER A 29 1.130 11.563 0.816 1.00 0.00 H new ATOM 0 HB2 SER A 29 3.555 11.454 1.355 1.00 0.00 H new ATOM 0 HB3 SER A 29 3.062 13.065 0.873 1.00 0.00 H new ATOM 0 HG SER A 29 2.992 12.396 3.629 1.00 0.00 H new ATOM 331 N SER A 30 0.868 9.618 2.303 1.00 0.00 N ATOM 332 CA SER A 30 0.686 8.446 3.152 1.00 0.00 C ATOM 333 C SER A 30 1.393 7.231 2.559 1.00 0.00 C ATOM 334 O SER A 30 1.127 6.838 1.424 1.00 0.00 O ATOM 335 CB SER A 30 -0.803 8.146 3.332 1.00 0.00 C ATOM 336 OG SER A 30 -1.553 9.342 3.451 1.00 0.00 O ATOM 0 H SER A 30 0.591 9.482 1.331 1.00 0.00 H new ATOM 0 HA SER A 30 1.126 8.662 4.126 1.00 0.00 H new ATOM 0 HB2 SER A 30 -1.166 7.568 2.482 1.00 0.00 H new ATOM 0 HB3 SER A 30 -0.949 7.532 4.221 1.00 0.00 H new ATOM 0 HG SER A 30 -1.339 9.938 2.703 1.00 0.00 H new ATOM 342 N GLU A 31 2.296 6.641 3.337 1.00 0.00 N ATOM 343 CA GLU A 31 3.042 5.471 2.889 1.00 0.00 C ATOM 344 C GLU A 31 3.033 4.379 3.955 1.00 0.00 C ATOM 345 O GLU A 31 2.405 4.525 5.004 1.00 0.00 O ATOM 346 CB GLU A 31 4.484 5.857 2.551 1.00 0.00 C ATOM 347 CG GLU A 31 5.208 6.561 3.686 1.00 0.00 C ATOM 348 CD GLU A 31 4.672 7.956 3.944 1.00 0.00 C ATOM 349 OE1 GLU A 31 4.222 8.606 2.977 1.00 0.00 O ATOM 350 OE2 GLU A 31 4.703 8.398 5.111 1.00 0.00 O ATOM 0 H GLU A 31 2.528 6.954 4.280 1.00 0.00 H new ATOM 0 HA GLU A 31 2.557 5.084 1.993 1.00 0.00 H new ATOM 0 HB2 GLU A 31 5.038 4.958 2.280 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.482 6.506 1.675 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.116 5.967 4.595 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.271 6.622 3.452 1.00 0.00 H new ATOM 357 N PHE A 32 3.733 3.284 3.678 1.00 0.00 N ATOM 358 CA PHE A 32 3.805 2.166 4.611 1.00 0.00 C ATOM 359 C PHE A 32 4.927 1.207 4.225 1.00 0.00 C ATOM 360 O PHE A 32 5.197 0.994 3.042 1.00 0.00 O ATOM 361 CB PHE A 32 2.470 1.418 4.648 1.00 0.00 C ATOM 362 CG PHE A 32 1.995 0.973 3.294 1.00 0.00 C ATOM 363 CD1 PHE A 32 2.566 -0.125 2.672 1.00 0.00 C ATOM 364 CD2 PHE A 32 0.978 1.653 2.644 1.00 0.00 C ATOM 365 CE1 PHE A 32 2.131 -0.538 1.427 1.00 0.00 C ATOM 366 CE2 PHE A 32 0.538 1.244 1.399 1.00 0.00 C ATOM 367 CZ PHE A 32 1.116 0.148 0.789 1.00 0.00 C ATOM 0 H PHE A 32 4.259 3.147 2.815 1.00 0.00 H new ATOM 0 HA PHE A 32 4.017 2.566 5.602 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.569 0.546 5.294 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.714 2.063 5.096 1.00 0.00 H new ATOM 0 HD1 PHE A 32 3.361 -0.665 3.166 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.524 2.512 3.115 1.00 0.00 H new ATOM 0 HE1 PHE A 32 2.584 -1.396 0.953 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -0.257 1.781 0.904 1.00 0.00 H new ATOM 0 HZ PHE A 32 0.775 -0.172 -0.185 1.00 0.00 H new ATOM 377 N ILE A 33 5.578 0.632 5.231 1.00 0.00 N ATOM 378 CA ILE A 33 6.670 -0.304 4.997 1.00 0.00 C ATOM 379 C ILE A 33 6.174 -1.746 5.022 1.00 0.00 C ATOM 380 O ILE A 33 5.362 -2.120 5.868 1.00 0.00 O ATOM 381 CB ILE A 33 7.787 -0.140 6.046 1.00 0.00 C ATOM 382 CG1 ILE A 33 8.458 1.227 5.898 1.00 0.00 C ATOM 383 CG2 ILE A 33 8.810 -1.257 5.909 1.00 0.00 C ATOM 384 CD1 ILE A 33 9.516 1.497 6.945 1.00 0.00 C ATOM 0 H ILE A 33 5.368 0.798 6.215 1.00 0.00 H new ATOM 0 HA ILE A 33 7.073 -0.078 4.010 1.00 0.00 H new ATOM 0 HB ILE A 33 7.344 -0.200 7.040 1.00 0.00 H new ATOM 0 HG12 ILE A 33 8.911 1.295 4.909 1.00 0.00 H new ATOM 0 HG13 ILE A 33 7.696 2.005 5.954 1.00 0.00 H new ATOM 0 HG21 ILE A 33 9.593 -1.127 6.657 1.00 0.00 H new ATOM 0 HG22 ILE A 33 8.320 -2.219 6.059 1.00 0.00 H new ATOM 0 HG23 ILE A 33 9.251 -1.226 4.913 1.00 0.00 H new ATOM 0 HD11 ILE A 33 9.949 2.483 6.779 1.00 0.00 H new ATOM 0 HD12 ILE A 33 9.064 1.461 7.936 1.00 0.00 H new ATOM 0 HD13 ILE A 33 10.298 0.741 6.875 1.00 0.00 H new ATOM 396 N VAL A 34 6.669 -2.553 4.089 1.00 0.00 N ATOM 397 CA VAL A 34 6.278 -3.955 4.004 1.00 0.00 C ATOM 398 C VAL A 34 7.441 -4.872 4.364 1.00 0.00 C ATOM 399 O VAL A 34 8.354 -5.076 3.564 1.00 0.00 O ATOM 400 CB VAL A 34 5.773 -4.313 2.594 1.00 0.00 C ATOM 401 CG1 VAL A 34 5.251 -5.741 2.561 1.00 0.00 C ATOM 402 CG2 VAL A 34 4.698 -3.333 2.149 1.00 0.00 C ATOM 0 H VAL A 34 7.342 -2.260 3.381 1.00 0.00 H new ATOM 0 HA VAL A 34 5.468 -4.102 4.719 1.00 0.00 H new ATOM 0 HB VAL A 34 6.609 -4.241 1.898 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.898 -5.976 1.557 1.00 0.00 H new ATOM 0 HG12 VAL A 34 6.052 -6.428 2.835 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.428 -5.844 3.268 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.352 -3.601 1.151 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.860 -3.371 2.845 1.00 0.00 H new ATOM 0 HG23 VAL A 34 5.110 -2.324 2.132 1.00 0.00 H new ATOM 412 N ASN A 35 7.402 -5.423 5.573 1.00 0.00 N ATOM 413 CA ASN A 35 8.453 -6.319 6.039 1.00 0.00 C ATOM 414 C ASN A 35 8.414 -7.644 5.283 1.00 0.00 C ATOM 415 O ASN A 35 7.577 -8.504 5.556 1.00 0.00 O ATOM 416 CB ASN A 35 8.307 -6.573 7.541 1.00 0.00 C ATOM 417 CG ASN A 35 9.206 -7.693 8.028 1.00 0.00 C ATOM 418 OD1 ASN A 35 8.745 -8.805 8.289 1.00 0.00 O ATOM 419 ND2 ASN A 35 10.496 -7.405 8.154 1.00 0.00 N ATOM 0 H ASN A 35 6.653 -5.264 6.247 1.00 0.00 H new ATOM 0 HA ASN A 35 9.414 -5.840 5.849 1.00 0.00 H new ATOM 0 HB2 ASN A 35 8.542 -5.659 8.086 1.00 0.00 H new ATOM 0 HB3 ASN A 35 7.269 -6.820 7.766 1.00 0.00 H new ATOM 0 HD21 ASN A 35 11.149 -8.119 8.478 1.00 0.00 H new ATOM 0 HD22 ASN A 35 10.834 -6.470 7.926 1.00 0.00 H new ATOM 426 N THR A 36 9.327 -7.801 4.329 1.00 0.00 N ATOM 427 CA THR A 36 9.397 -9.020 3.532 1.00 0.00 C ATOM 428 C THR A 36 10.715 -9.751 3.761 1.00 0.00 C ATOM 429 O THR A 36 11.037 -10.707 3.054 1.00 0.00 O ATOM 430 CB THR A 36 9.246 -8.718 2.029 1.00 0.00 C ATOM 431 OG1 THR A 36 10.084 -7.616 1.664 1.00 0.00 O ATOM 432 CG2 THR A 36 7.799 -8.396 1.685 1.00 0.00 C ATOM 0 H THR A 36 10.028 -7.100 4.090 1.00 0.00 H new ATOM 0 HA THR A 36 8.571 -9.655 3.853 1.00 0.00 H new ATOM 0 HB THR A 36 9.548 -9.604 1.471 1.00 0.00 H new ATOM 0 HG1 THR A 36 10.367 -7.715 0.731 1.00 0.00 H new ATOM 0 HG21 THR A 36 7.717 -8.186 0.619 1.00 0.00 H new ATOM 0 HG22 THR A 36 7.167 -9.247 1.937 1.00 0.00 H new ATOM 0 HG23 THR A 36 7.476 -7.523 2.253 1.00 0.00 H new ATOM 440 N LEU A 37 11.472 -9.298 4.754 1.00 0.00 N ATOM 441 CA LEU A 37 12.756 -9.911 5.078 1.00 0.00 C ATOM 442 C LEU A 37 12.564 -11.325 5.617 1.00 0.00 C ATOM 443 O LEU A 37 13.187 -12.272 5.140 1.00 0.00 O ATOM 444 CB LEU A 37 13.506 -9.059 6.103 1.00 0.00 C ATOM 445 CG LEU A 37 13.665 -7.578 5.757 1.00 0.00 C ATOM 446 CD1 LEU A 37 13.902 -6.759 7.016 1.00 0.00 C ATOM 447 CD2 LEU A 37 14.805 -7.381 4.768 1.00 0.00 C ATOM 0 H LEU A 37 11.219 -8.509 5.349 1.00 0.00 H new ATOM 0 HA LEU A 37 13.345 -9.968 4.162 1.00 0.00 H new ATOM 0 HB2 LEU A 37 12.987 -9.135 7.058 1.00 0.00 H new ATOM 0 HB3 LEU A 37 14.498 -9.487 6.245 1.00 0.00 H new ATOM 0 HG LEU A 37 12.742 -7.232 5.291 1.00 0.00 H new ATOM 0 HD11 LEU A 37 14.013 -5.708 6.751 1.00 0.00 H new ATOM 0 HD12 LEU A 37 13.054 -6.875 7.691 1.00 0.00 H new ATOM 0 HD13 LEU A 37 14.809 -7.106 7.510 1.00 0.00 H new ATOM 0 HD21 LEU A 37 14.904 -6.321 4.533 1.00 0.00 H new ATOM 0 HD22 LEU A 37 15.734 -7.743 5.207 1.00 0.00 H new ATOM 0 HD23 LEU A 37 14.594 -7.937 3.854 1.00 0.00 H new ATOM 459 N ASN A 38 11.696 -11.459 6.615 1.00 0.00 N ATOM 460 CA ASN A 38 11.420 -12.758 7.219 1.00 0.00 C ATOM 461 C ASN A 38 11.115 -13.801 6.148 1.00 0.00 C ATOM 462 O ASN A 38 11.401 -14.986 6.322 1.00 0.00 O ATOM 463 CB ASN A 38 10.245 -12.651 8.193 1.00 0.00 C ATOM 464 CG ASN A 38 10.681 -12.219 9.579 1.00 0.00 C ATOM 465 OD1 ASN A 38 10.370 -12.876 10.573 1.00 0.00 O ATOM 466 ND2 ASN A 38 11.405 -11.108 9.652 1.00 0.00 N ATOM 0 H ASN A 38 11.172 -10.685 7.022 1.00 0.00 H new ATOM 0 HA ASN A 38 12.308 -13.074 7.766 1.00 0.00 H new ATOM 0 HB2 ASN A 38 9.519 -11.937 7.805 1.00 0.00 H new ATOM 0 HB3 ASN A 38 9.741 -13.615 8.258 1.00 0.00 H new ATOM 0 HD21 ASN A 38 11.727 -10.768 10.558 1.00 0.00 H new ATOM 0 HD22 ASN A 38 11.639 -10.595 8.802 1.00 0.00 H new ATOM 473 N ALA A 39 10.533 -13.353 5.041 1.00 0.00 N ATOM 474 CA ALA A 39 10.191 -14.247 3.941 1.00 0.00 C ATOM 475 C ALA A 39 11.437 -14.671 3.171 1.00 0.00 C ATOM 476 O ALA A 39 11.773 -15.853 3.116 1.00 0.00 O ATOM 477 CB ALA A 39 9.193 -13.578 3.008 1.00 0.00 C ATOM 0 H ALA A 39 10.288 -12.376 4.882 1.00 0.00 H new ATOM 0 HA ALA A 39 9.734 -15.143 4.362 1.00 0.00 H new ATOM 0 HB1 ALA A 39 8.947 -14.257 2.191 1.00 0.00 H new ATOM 0 HB2 ALA A 39 8.287 -13.332 3.561 1.00 0.00 H new ATOM 0 HB3 ALA A 39 9.630 -12.666 2.602 1.00 0.00 H new ATOM 483 N GLY A 40 12.120 -13.697 2.576 1.00 0.00 N ATOM 484 CA GLY A 40 13.321 -13.989 1.816 1.00 0.00 C ATOM 485 C GLY A 40 13.372 -13.239 0.501 1.00 0.00 C ATOM 486 O GLY A 40 13.954 -12.158 0.417 1.00 0.00 O ATOM 0 H GLY A 40 11.862 -12.711 2.607 1.00 0.00 H new ATOM 0 HA2 GLY A 40 14.196 -13.730 2.412 1.00 0.00 H new ATOM 0 HA3 GLY A 40 13.373 -15.060 1.622 1.00 0.00 H new ATOM 490 N SER A 41 12.761 -13.813 -0.531 1.00 0.00 N ATOM 491 CA SER A 41 12.744 -13.194 -1.851 1.00 0.00 C ATOM 492 C SER A 41 11.526 -13.648 -2.648 1.00 0.00 C ATOM 493 O SER A 41 11.132 -14.813 -2.593 1.00 0.00 O ATOM 494 CB SER A 41 14.025 -13.537 -2.615 1.00 0.00 C ATOM 495 OG SER A 41 15.173 -13.112 -1.902 1.00 0.00 O ATOM 0 H SER A 41 12.271 -14.706 -0.478 1.00 0.00 H new ATOM 0 HA SER A 41 12.687 -12.114 -1.718 1.00 0.00 H new ATOM 0 HB2 SER A 41 14.075 -14.613 -2.783 1.00 0.00 H new ATOM 0 HB3 SER A 41 14.006 -13.062 -3.596 1.00 0.00 H new ATOM 0 HG SER A 41 15.978 -13.344 -2.410 1.00 0.00 H new ATOM 501 N GLY A 42 10.932 -12.719 -3.391 1.00 0.00 N ATOM 502 CA GLY A 42 9.764 -13.042 -4.189 1.00 0.00 C ATOM 503 C GLY A 42 9.113 -11.811 -4.788 1.00 0.00 C ATOM 504 O GLY A 42 9.618 -10.699 -4.641 1.00 0.00 O ATOM 0 H GLY A 42 11.239 -11.748 -3.454 1.00 0.00 H new ATOM 0 HA2 GLY A 42 10.052 -13.723 -4.990 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.038 -13.568 -3.569 1.00 0.00 H new ATOM 508 N ALA A 43 7.988 -12.010 -5.468 1.00 0.00 N ATOM 509 CA ALA A 43 7.266 -10.907 -6.091 1.00 0.00 C ATOM 510 C ALA A 43 6.240 -10.311 -5.133 1.00 0.00 C ATOM 511 O ALA A 43 5.731 -10.998 -4.246 1.00 0.00 O ATOM 512 CB ALA A 43 6.588 -11.375 -7.370 1.00 0.00 C ATOM 0 H ALA A 43 7.557 -12.925 -5.601 1.00 0.00 H new ATOM 0 HA ALA A 43 7.987 -10.128 -6.339 1.00 0.00 H new ATOM 0 HB1 ALA A 43 6.053 -10.541 -7.824 1.00 0.00 H new ATOM 0 HB2 ALA A 43 7.340 -11.746 -8.066 1.00 0.00 H new ATOM 0 HB3 ALA A 43 5.884 -12.174 -7.137 1.00 0.00 H new ATOM 518 N LEU A 44 5.941 -9.030 -5.316 1.00 0.00 N ATOM 519 CA LEU A 44 4.975 -8.341 -4.467 1.00 0.00 C ATOM 520 C LEU A 44 3.961 -7.572 -5.309 1.00 0.00 C ATOM 521 O LEU A 44 4.299 -7.025 -6.359 1.00 0.00 O ATOM 522 CB LEU A 44 5.695 -7.383 -3.516 1.00 0.00 C ATOM 523 CG LEU A 44 4.811 -6.372 -2.786 1.00 0.00 C ATOM 524 CD1 LEU A 44 4.069 -7.041 -1.639 1.00 0.00 C ATOM 525 CD2 LEU A 44 5.644 -5.205 -2.276 1.00 0.00 C ATOM 0 H LEU A 44 6.353 -8.447 -6.044 1.00 0.00 H new ATOM 0 HA LEU A 44 4.441 -9.091 -3.883 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.228 -7.974 -2.771 1.00 0.00 H new ATOM 0 HB3 LEU A 44 6.446 -6.835 -4.085 1.00 0.00 H new ATOM 0 HG LEU A 44 4.075 -5.986 -3.492 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.445 -6.306 -1.131 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.441 -7.842 -2.030 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.788 -7.456 -0.933 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.998 -4.495 -1.759 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.403 -5.574 -1.586 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.128 -4.709 -3.117 1.00 0.00 H new ATOM 537 N SER A 45 2.718 -7.535 -4.840 1.00 0.00 N ATOM 538 CA SER A 45 1.654 -6.835 -5.550 1.00 0.00 C ATOM 539 C SER A 45 0.927 -5.867 -4.622 1.00 0.00 C ATOM 540 O SER A 45 0.135 -6.278 -3.774 1.00 0.00 O ATOM 541 CB SER A 45 0.660 -7.838 -6.140 1.00 0.00 C ATOM 542 OG SER A 45 1.290 -8.684 -7.086 1.00 0.00 O ATOM 0 H SER A 45 2.423 -7.981 -3.972 1.00 0.00 H new ATOM 0 HA SER A 45 2.107 -6.263 -6.360 1.00 0.00 H new ATOM 0 HB2 SER A 45 0.228 -8.440 -5.340 1.00 0.00 H new ATOM 0 HB3 SER A 45 -0.162 -7.303 -6.616 1.00 0.00 H new ATOM 0 HG SER A 45 0.634 -9.317 -7.447 1.00 0.00 H new ATOM 548 N VAL A 46 1.202 -4.577 -4.790 1.00 0.00 N ATOM 549 CA VAL A 46 0.575 -3.548 -3.969 1.00 0.00 C ATOM 550 C VAL A 46 -0.347 -2.666 -4.803 1.00 0.00 C ATOM 551 O VAL A 46 0.034 -2.184 -5.870 1.00 0.00 O ATOM 552 CB VAL A 46 1.628 -2.663 -3.277 1.00 0.00 C ATOM 553 CG1 VAL A 46 0.956 -1.649 -2.363 1.00 0.00 C ATOM 554 CG2 VAL A 46 2.617 -3.519 -2.500 1.00 0.00 C ATOM 0 H VAL A 46 1.855 -4.220 -5.487 1.00 0.00 H new ATOM 0 HA VAL A 46 -0.011 -4.063 -3.208 1.00 0.00 H new ATOM 0 HB VAL A 46 2.179 -2.118 -4.044 1.00 0.00 H new ATOM 0 HG11 VAL A 46 1.716 -1.033 -1.883 1.00 0.00 H new ATOM 0 HG12 VAL A 46 0.292 -1.015 -2.950 1.00 0.00 H new ATOM 0 HG13 VAL A 46 0.379 -2.173 -1.601 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.354 -2.877 -2.018 1.00 0.00 H new ATOM 0 HG22 VAL A 46 2.084 -4.093 -1.742 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.123 -4.202 -3.183 1.00 0.00 H new ATOM 564 N THR A 47 -1.564 -2.457 -4.309 1.00 0.00 N ATOM 565 CA THR A 47 -2.541 -1.633 -5.009 1.00 0.00 C ATOM 566 C THR A 47 -3.478 -0.938 -4.027 1.00 0.00 C ATOM 567 O THR A 47 -3.484 -1.248 -2.836 1.00 0.00 O ATOM 568 CB THR A 47 -3.378 -2.469 -5.995 1.00 0.00 C ATOM 569 OG1 THR A 47 -4.602 -1.790 -6.298 1.00 0.00 O ATOM 570 CG2 THR A 47 -3.684 -3.842 -5.416 1.00 0.00 C ATOM 0 H THR A 47 -1.896 -2.847 -3.427 1.00 0.00 H new ATOM 0 HA THR A 47 -1.980 -0.882 -5.566 1.00 0.00 H new ATOM 0 HB THR A 47 -2.799 -2.598 -6.909 1.00 0.00 H new ATOM 0 HG1 THR A 47 -5.127 -2.328 -6.927 1.00 0.00 H new ATOM 0 HG21 THR A 47 -4.276 -4.414 -6.130 1.00 0.00 H new ATOM 0 HG22 THR A 47 -2.751 -4.368 -5.214 1.00 0.00 H new ATOM 0 HG23 THR A 47 -4.245 -3.729 -4.488 1.00 0.00 H new ATOM 578 N ILE A 48 -4.268 0.002 -4.535 1.00 0.00 N ATOM 579 CA ILE A 48 -5.210 0.739 -3.702 1.00 0.00 C ATOM 580 C ILE A 48 -6.574 0.844 -4.375 1.00 0.00 C ATOM 581 O ILE A 48 -6.680 0.771 -5.600 1.00 0.00 O ATOM 582 CB ILE A 48 -4.695 2.156 -3.388 1.00 0.00 C ATOM 583 CG1 ILE A 48 -3.310 2.088 -2.742 1.00 0.00 C ATOM 584 CG2 ILE A 48 -5.673 2.887 -2.481 1.00 0.00 C ATOM 585 CD1 ILE A 48 -2.615 3.428 -2.658 1.00 0.00 C ATOM 0 H ILE A 48 -4.274 0.271 -5.519 1.00 0.00 H new ATOM 0 HA ILE A 48 -5.309 0.182 -2.770 1.00 0.00 H new ATOM 0 HB ILE A 48 -4.612 2.711 -4.322 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -3.406 1.675 -1.738 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -2.686 1.399 -3.312 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -5.294 3.887 -2.268 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -6.641 2.963 -2.976 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -5.785 2.336 -1.547 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -1.639 3.303 -2.189 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -2.486 3.835 -3.661 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -3.218 4.114 -2.063 1.00 0.00 H new ATOM 597 N ASP A 49 -7.614 1.016 -3.568 1.00 0.00 N ATOM 598 CA ASP A 49 -8.973 1.134 -4.085 1.00 0.00 C ATOM 599 C ASP A 49 -9.789 2.115 -3.250 1.00 0.00 C ATOM 600 O ASP A 49 -10.206 1.800 -2.136 1.00 0.00 O ATOM 601 CB ASP A 49 -9.656 -0.234 -4.100 1.00 0.00 C ATOM 602 CG ASP A 49 -10.753 -0.322 -5.143 1.00 0.00 C ATOM 603 OD1 ASP A 49 -10.495 0.046 -6.308 1.00 0.00 O ATOM 604 OD2 ASP A 49 -11.869 -0.760 -4.794 1.00 0.00 O ATOM 0 H ASP A 49 -7.543 1.077 -2.552 1.00 0.00 H new ATOM 0 HA ASP A 49 -8.916 1.514 -5.105 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -8.912 -1.006 -4.294 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -10.077 -0.437 -3.116 1.00 0.00 H new ATOM 609 N GLY A 50 -10.013 3.307 -3.796 1.00 0.00 N ATOM 610 CA GLY A 50 -10.777 4.316 -3.087 1.00 0.00 C ATOM 611 C GLY A 50 -11.746 5.051 -3.991 1.00 0.00 C ATOM 612 O GLY A 50 -11.905 4.720 -5.166 1.00 0.00 O ATOM 0 H GLY A 50 -9.679 3.591 -4.717 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -11.330 3.844 -2.274 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -10.093 5.033 -2.633 1.00 0.00 H new ATOM 616 N PRO A 51 -12.417 6.074 -3.440 1.00 0.00 N ATOM 617 CA PRO A 51 -13.388 6.878 -4.188 1.00 0.00 C ATOM 618 C PRO A 51 -12.724 7.754 -5.244 1.00 0.00 C ATOM 619 O PRO A 51 -13.393 8.299 -6.122 1.00 0.00 O ATOM 620 CB PRO A 51 -14.038 7.744 -3.106 1.00 0.00 C ATOM 621 CG PRO A 51 -13.015 7.835 -2.027 1.00 0.00 C ATOM 622 CD PRO A 51 -12.277 6.524 -2.045 1.00 0.00 C ATOM 0 HA PRO A 51 -14.095 6.257 -4.738 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -14.296 8.731 -3.491 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -14.960 7.293 -2.740 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -12.335 8.668 -2.203 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -13.484 8.006 -1.058 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -11.231 6.648 -1.766 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -12.711 5.809 -1.346 1.00 0.00 H new ATOM 630 N SER A 52 -11.405 7.886 -5.154 1.00 0.00 N ATOM 631 CA SER A 52 -10.651 8.699 -6.101 1.00 0.00 C ATOM 632 C SER A 52 -9.288 8.076 -6.388 1.00 0.00 C ATOM 633 O SER A 52 -8.530 7.762 -5.470 1.00 0.00 O ATOM 634 CB SER A 52 -10.471 10.118 -5.557 1.00 0.00 C ATOM 635 OG SER A 52 -9.429 10.168 -4.597 1.00 0.00 O ATOM 0 H SER A 52 -10.836 7.440 -4.435 1.00 0.00 H new ATOM 0 HA SER A 52 -11.214 8.743 -7.033 1.00 0.00 H new ATOM 0 HB2 SER A 52 -10.247 10.800 -6.377 1.00 0.00 H new ATOM 0 HB3 SER A 52 -11.403 10.459 -5.105 1.00 0.00 H new ATOM 0 HG SER A 52 -9.708 9.693 -3.786 1.00 0.00 H new ATOM 641 N LYS A 53 -8.983 7.899 -7.669 1.00 0.00 N ATOM 642 CA LYS A 53 -7.713 7.315 -8.080 1.00 0.00 C ATOM 643 C LYS A 53 -6.548 7.974 -7.348 1.00 0.00 C ATOM 644 O LYS A 53 -6.387 9.193 -7.388 1.00 0.00 O ATOM 645 CB LYS A 53 -7.526 7.461 -9.592 1.00 0.00 C ATOM 646 CG LYS A 53 -8.202 6.365 -10.397 1.00 0.00 C ATOM 647 CD LYS A 53 -7.668 6.307 -11.819 1.00 0.00 C ATOM 648 CE LYS A 53 -8.404 7.277 -12.730 1.00 0.00 C ATOM 649 NZ LYS A 53 -7.757 7.380 -14.068 1.00 0.00 N ATOM 0 H LYS A 53 -9.599 8.152 -8.441 1.00 0.00 H new ATOM 0 HA LYS A 53 -7.729 6.256 -7.822 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -7.920 8.427 -9.907 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -6.460 7.462 -9.819 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -8.044 5.403 -9.909 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -9.278 6.539 -10.418 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -6.604 6.542 -11.819 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -7.770 5.293 -12.206 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -9.437 6.950 -12.850 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -8.434 8.262 -12.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -8.288 8.051 -14.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -6.779 7.716 -13.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -7.751 6.445 -14.524 1.00 0.00 H new ATOM 663 N VAL A 54 -5.738 7.159 -6.680 1.00 0.00 N ATOM 664 CA VAL A 54 -4.587 7.662 -5.940 1.00 0.00 C ATOM 665 C VAL A 54 -3.289 7.394 -6.694 1.00 0.00 C ATOM 666 O VAL A 54 -3.167 6.394 -7.402 1.00 0.00 O ATOM 667 CB VAL A 54 -4.496 7.025 -4.541 1.00 0.00 C ATOM 668 CG1 VAL A 54 -5.762 7.303 -3.745 1.00 0.00 C ATOM 669 CG2 VAL A 54 -4.243 5.529 -4.652 1.00 0.00 C ATOM 0 H VAL A 54 -5.858 6.147 -6.636 1.00 0.00 H new ATOM 0 HA VAL A 54 -4.726 8.738 -5.832 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.656 7.473 -4.010 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -5.680 6.845 -2.759 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -5.894 8.379 -3.635 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -6.621 6.884 -4.269 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -4.182 5.095 -3.654 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.060 5.062 -5.201 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -3.306 5.357 -5.181 1.00 0.00 H new ATOM 679 N GLN A 55 -2.323 8.292 -6.536 1.00 0.00 N ATOM 680 CA GLN A 55 -1.033 8.152 -7.203 1.00 0.00 C ATOM 681 C GLN A 55 0.016 7.594 -6.247 1.00 0.00 C ATOM 682 O GLN A 55 0.662 8.343 -5.512 1.00 0.00 O ATOM 683 CB GLN A 55 -0.571 9.501 -7.755 1.00 0.00 C ATOM 684 CG GLN A 55 0.508 9.386 -8.820 1.00 0.00 C ATOM 685 CD GLN A 55 1.223 10.698 -9.071 1.00 0.00 C ATOM 686 OE1 GLN A 55 1.464 11.474 -8.145 1.00 0.00 O ATOM 687 NE2 GLN A 55 1.568 10.954 -10.327 1.00 0.00 N ATOM 0 H GLN A 55 -2.408 9.124 -5.952 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.154 7.452 -8.030 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -1.429 10.026 -8.175 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -0.195 10.111 -6.933 1.00 0.00 H new ATOM 0 HG2 GLN A 55 1.235 8.633 -8.515 1.00 0.00 H new ATOM 0 HG3 GLN A 55 0.059 9.038 -9.750 1.00 0.00 H new ATOM 0 HE21 GLN A 55 1.349 10.283 -11.063 1.00 0.00 H new ATOM 0 HE22 GLN A 55 2.053 11.822 -10.556 1.00 0.00 H new ATOM 696 N LEU A 56 0.180 6.276 -6.260 1.00 0.00 N ATOM 697 CA LEU A 56 1.152 5.618 -5.394 1.00 0.00 C ATOM 698 C LEU A 56 2.530 5.584 -6.047 1.00 0.00 C ATOM 699 O LEU A 56 2.650 5.660 -7.270 1.00 0.00 O ATOM 700 CB LEU A 56 0.693 4.194 -5.070 1.00 0.00 C ATOM 701 CG LEU A 56 1.010 3.132 -6.124 1.00 0.00 C ATOM 702 CD1 LEU A 56 1.108 1.757 -5.482 1.00 0.00 C ATOM 703 CD2 LEU A 56 -0.046 3.136 -7.220 1.00 0.00 C ATOM 0 H LEU A 56 -0.347 5.642 -6.860 1.00 0.00 H new ATOM 0 HA LEU A 56 1.224 6.190 -4.469 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.151 3.891 -4.128 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.385 4.208 -4.910 1.00 0.00 H new ATOM 0 HG LEU A 56 1.973 3.371 -6.574 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.334 1.014 -6.247 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.901 1.760 -4.734 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.160 1.510 -5.005 1.00 0.00 H new ATOM 0 HD21 LEU A 56 0.196 2.374 -7.961 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -1.022 2.922 -6.785 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -0.069 4.114 -7.700 1.00 0.00 H new ATOM 715 N ASP A 57 3.566 5.469 -5.223 1.00 0.00 N ATOM 716 CA ASP A 57 4.936 5.422 -5.721 1.00 0.00 C ATOM 717 C ASP A 57 5.744 4.356 -4.987 1.00 0.00 C ATOM 718 O ASP A 57 6.022 4.486 -3.794 1.00 0.00 O ATOM 719 CB ASP A 57 5.606 6.788 -5.562 1.00 0.00 C ATOM 720 CG ASP A 57 6.669 7.037 -6.613 1.00 0.00 C ATOM 721 OD1 ASP A 57 7.526 6.150 -6.813 1.00 0.00 O ATOM 722 OD2 ASP A 57 6.644 8.118 -7.237 1.00 0.00 O ATOM 0 H ASP A 57 3.483 5.407 -4.208 1.00 0.00 H new ATOM 0 HA ASP A 57 4.904 5.163 -6.779 1.00 0.00 H new ATOM 0 HB2 ASP A 57 4.849 7.570 -5.623 1.00 0.00 H new ATOM 0 HB3 ASP A 57 6.056 6.856 -4.571 1.00 0.00 H new ATOM 727 N CYS A 58 6.117 3.304 -5.707 1.00 0.00 N ATOM 728 CA CYS A 58 6.893 2.215 -5.124 1.00 0.00 C ATOM 729 C CYS A 58 8.368 2.589 -5.027 1.00 0.00 C ATOM 730 O CYS A 58 8.942 3.139 -5.966 1.00 0.00 O ATOM 731 CB CYS A 58 6.730 0.943 -5.957 1.00 0.00 C ATOM 732 SG CYS A 58 7.764 -0.436 -5.409 1.00 0.00 S ATOM 0 H CYS A 58 5.895 3.182 -6.695 1.00 0.00 H new ATOM 0 HA CYS A 58 6.517 2.032 -4.117 1.00 0.00 H new ATOM 0 HB2 CYS A 58 5.685 0.634 -5.928 1.00 0.00 H new ATOM 0 HB3 CYS A 58 6.966 1.170 -6.997 1.00 0.00 H new ATOM 0 HG CYS A 58 7.554 -1.466 -6.173 1.00 0.00 H new ATOM 738 N ARG A 59 8.976 2.287 -3.884 1.00 0.00 N ATOM 739 CA ARG A 59 10.384 2.594 -3.663 1.00 0.00 C ATOM 740 C ARG A 59 11.079 1.453 -2.926 1.00 0.00 C ATOM 741 O ARG A 59 10.478 0.411 -2.667 1.00 0.00 O ATOM 742 CB ARG A 59 10.526 3.892 -2.866 1.00 0.00 C ATOM 743 CG ARG A 59 10.569 5.138 -3.735 1.00 0.00 C ATOM 744 CD ARG A 59 10.917 6.374 -2.919 1.00 0.00 C ATOM 745 NE ARG A 59 10.919 7.585 -3.735 1.00 0.00 N ATOM 746 CZ ARG A 59 11.862 7.869 -4.627 1.00 0.00 C ATOM 747 NH1 ARG A 59 12.873 7.033 -4.816 1.00 0.00 N ATOM 748 NH2 ARG A 59 11.794 8.992 -5.331 1.00 0.00 N ATOM 0 H ARG A 59 8.515 1.830 -3.097 1.00 0.00 H new ATOM 0 HA ARG A 59 10.860 2.719 -4.635 1.00 0.00 H new ATOM 0 HB2 ARG A 59 9.692 3.974 -2.169 1.00 0.00 H new ATOM 0 HB3 ARG A 59 11.437 3.844 -2.269 1.00 0.00 H new ATOM 0 HG2 ARG A 59 11.305 5.005 -4.528 1.00 0.00 H new ATOM 0 HG3 ARG A 59 9.602 5.280 -4.218 1.00 0.00 H new ATOM 0 HD2 ARG A 59 10.199 6.486 -2.106 1.00 0.00 H new ATOM 0 HD3 ARG A 59 11.898 6.243 -2.462 1.00 0.00 H new ATOM 0 HE ARG A 59 10.155 8.249 -3.614 1.00 0.00 H new ATOM 0 HH11 ARG A 59 12.928 6.169 -4.276 1.00 0.00 H new ATOM 0 HH12 ARG A 59 13.596 7.253 -5.501 1.00 0.00 H new ATOM 0 HH21 ARG A 59 11.018 9.638 -5.187 1.00 0.00 H new ATOM 0 HH22 ARG A 59 12.518 9.209 -6.016 1.00 0.00 H new ATOM 762 N GLU A 60 12.350 1.659 -2.591 1.00 0.00 N ATOM 763 CA GLU A 60 13.127 0.647 -1.886 1.00 0.00 C ATOM 764 C GLU A 60 13.381 1.066 -0.441 1.00 0.00 C ATOM 765 O GLU A 60 13.677 2.229 -0.164 1.00 0.00 O ATOM 766 CB GLU A 60 14.458 0.405 -2.600 1.00 0.00 C ATOM 767 CG GLU A 60 14.325 -0.411 -3.875 1.00 0.00 C ATOM 768 CD GLU A 60 15.580 -0.372 -4.726 1.00 0.00 C ATOM 769 OE1 GLU A 60 15.781 0.631 -5.441 1.00 0.00 O ATOM 770 OE2 GLU A 60 16.360 -1.346 -4.676 1.00 0.00 O ATOM 0 H GLU A 60 12.862 2.517 -2.797 1.00 0.00 H new ATOM 0 HA GLU A 60 12.552 -0.279 -1.882 1.00 0.00 H new ATOM 0 HB2 GLU A 60 14.912 1.366 -2.840 1.00 0.00 H new ATOM 0 HB3 GLU A 60 15.138 -0.108 -1.920 1.00 0.00 H new ATOM 0 HG2 GLU A 60 14.097 -1.445 -3.618 1.00 0.00 H new ATOM 0 HG3 GLU A 60 13.484 -0.034 -4.457 1.00 0.00 H new ATOM 777 N CYS A 61 13.263 0.112 0.475 1.00 0.00 N ATOM 778 CA CYS A 61 13.478 0.381 1.893 1.00 0.00 C ATOM 779 C CYS A 61 14.306 -0.726 2.537 1.00 0.00 C ATOM 780 O CYS A 61 14.305 -1.874 2.092 1.00 0.00 O ATOM 781 CB CYS A 61 12.138 0.520 2.616 1.00 0.00 C ATOM 782 SG CYS A 61 10.993 -0.847 2.316 1.00 0.00 S ATOM 0 H CYS A 61 13.020 -0.855 0.262 1.00 0.00 H new ATOM 0 HA CYS A 61 14.028 1.318 1.981 1.00 0.00 H new ATOM 0 HB2 CYS A 61 12.322 0.598 3.688 1.00 0.00 H new ATOM 0 HB3 CYS A 61 11.665 1.451 2.305 1.00 0.00 H new ATOM 0 HG CYS A 61 10.868 -1.554 3.400 1.00 0.00 H new ATOM 788 N PRO A 62 15.032 -0.375 3.609 1.00 0.00 N ATOM 789 CA PRO A 62 15.879 -1.325 4.336 1.00 0.00 C ATOM 790 C PRO A 62 15.064 -2.358 5.105 1.00 0.00 C ATOM 791 O PRO A 62 15.620 -3.221 5.784 1.00 0.00 O ATOM 792 CB PRO A 62 16.661 -0.433 5.304 1.00 0.00 C ATOM 793 CG PRO A 62 15.796 0.764 5.499 1.00 0.00 C ATOM 794 CD PRO A 62 15.081 0.976 4.193 1.00 0.00 C ATOM 0 HA PRO A 62 16.511 -1.905 3.663 1.00 0.00 H new ATOM 0 HB2 PRO A 62 16.849 -0.943 6.248 1.00 0.00 H new ATOM 0 HB3 PRO A 62 17.632 -0.157 4.892 1.00 0.00 H new ATOM 0 HG2 PRO A 62 15.086 0.604 6.311 1.00 0.00 H new ATOM 0 HG3 PRO A 62 16.392 1.637 5.764 1.00 0.00 H new ATOM 0 HD2 PRO A 62 14.082 1.385 4.343 1.00 0.00 H new ATOM 0 HD3 PRO A 62 15.618 1.673 3.549 1.00 0.00 H new ATOM 802 N GLU A 63 13.742 -2.265 4.993 1.00 0.00 N ATOM 803 CA GLU A 63 12.851 -3.193 5.679 1.00 0.00 C ATOM 804 C GLU A 63 12.090 -4.058 4.677 1.00 0.00 C ATOM 805 O GLU A 63 11.352 -4.965 5.058 1.00 0.00 O ATOM 806 CB GLU A 63 11.863 -2.428 6.562 1.00 0.00 C ATOM 807 CG GLU A 63 12.502 -1.805 7.792 1.00 0.00 C ATOM 808 CD GLU A 63 12.692 -2.802 8.919 1.00 0.00 C ATOM 809 OE1 GLU A 63 11.676 -3.285 9.460 1.00 0.00 O ATOM 810 OE2 GLU A 63 13.856 -3.098 9.260 1.00 0.00 O ATOM 0 H GLU A 63 13.265 -1.557 4.434 1.00 0.00 H new ATOM 0 HA GLU A 63 13.460 -3.844 6.307 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.392 -1.643 5.970 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.071 -3.107 6.879 1.00 0.00 H new ATOM 0 HG2 GLU A 63 13.469 -1.382 7.520 1.00 0.00 H new ATOM 0 HG3 GLU A 63 11.880 -0.981 8.142 1.00 0.00 H new ATOM 817 N GLY A 64 12.276 -3.768 3.393 1.00 0.00 N ATOM 818 CA GLY A 64 11.601 -4.526 2.356 1.00 0.00 C ATOM 819 C GLY A 64 11.118 -3.649 1.218 1.00 0.00 C ATOM 820 O GLY A 64 11.919 -3.143 0.431 1.00 0.00 O ATOM 0 H GLY A 64 12.882 -3.022 3.052 1.00 0.00 H new ATOM 0 HA2 GLY A 64 12.280 -5.284 1.964 1.00 0.00 H new ATOM 0 HA3 GLY A 64 10.751 -5.053 2.790 1.00 0.00 H new ATOM 824 N HIS A 65 9.804 -3.469 1.128 1.00 0.00 N ATOM 825 CA HIS A 65 9.215 -2.648 0.076 1.00 0.00 C ATOM 826 C HIS A 65 8.343 -1.546 0.671 1.00 0.00 C ATOM 827 O HIS A 65 7.520 -1.799 1.552 1.00 0.00 O ATOM 828 CB HIS A 65 8.386 -3.514 -0.872 1.00 0.00 C ATOM 829 CG HIS A 65 9.208 -4.457 -1.696 1.00 0.00 C ATOM 830 ND1 HIS A 65 9.636 -4.164 -2.973 1.00 0.00 N ATOM 831 CD2 HIS A 65 9.683 -5.693 -1.416 1.00 0.00 C ATOM 832 CE1 HIS A 65 10.337 -5.179 -3.445 1.00 0.00 C ATOM 833 NE2 HIS A 65 10.381 -6.120 -2.519 1.00 0.00 N ATOM 0 H HIS A 65 9.127 -3.880 1.771 1.00 0.00 H new ATOM 0 HA HIS A 65 10.026 -2.183 -0.485 1.00 0.00 H new ATOM 0 HB2 HIS A 65 7.665 -4.088 -0.290 1.00 0.00 H new ATOM 0 HB3 HIS A 65 7.815 -2.866 -1.537 1.00 0.00 H new ATOM 0 HD2 HIS A 65 9.540 -6.241 -0.497 1.00 0.00 H new ATOM 0 HE1 HIS A 65 10.796 -5.231 -4.421 1.00 0.00 H new ATOM 0 HE2 HIS A 65 10.856 -7.018 -2.609 1.00 0.00 H new ATOM 842 N VAL A 66 8.529 -0.323 0.185 1.00 0.00 N ATOM 843 CA VAL A 66 7.759 0.817 0.668 1.00 0.00 C ATOM 844 C VAL A 66 6.981 1.476 -0.466 1.00 0.00 C ATOM 845 O VAL A 66 7.424 1.482 -1.614 1.00 0.00 O ATOM 846 CB VAL A 66 8.669 1.868 1.330 1.00 0.00 C ATOM 847 CG1 VAL A 66 9.523 2.570 0.285 1.00 0.00 C ATOM 848 CG2 VAL A 66 7.839 2.874 2.114 1.00 0.00 C ATOM 0 H VAL A 66 9.206 -0.096 -0.543 1.00 0.00 H new ATOM 0 HA VAL A 66 7.058 0.434 1.410 1.00 0.00 H new ATOM 0 HB VAL A 66 9.335 1.359 2.027 1.00 0.00 H new ATOM 0 HG11 VAL A 66 10.159 3.309 0.772 1.00 0.00 H new ATOM 0 HG12 VAL A 66 10.145 1.837 -0.228 1.00 0.00 H new ATOM 0 HG13 VAL A 66 8.877 3.068 -0.438 1.00 0.00 H new ATOM 0 HG21 VAL A 66 8.499 3.609 2.575 1.00 0.00 H new ATOM 0 HG22 VAL A 66 7.147 3.379 1.440 1.00 0.00 H new ATOM 0 HG23 VAL A 66 7.276 2.355 2.890 1.00 0.00 H new ATOM 858 N VAL A 67 5.819 2.030 -0.135 1.00 0.00 N ATOM 859 CA VAL A 67 4.979 2.693 -1.125 1.00 0.00 C ATOM 860 C VAL A 67 4.371 3.972 -0.562 1.00 0.00 C ATOM 861 O VAL A 67 3.903 4.001 0.577 1.00 0.00 O ATOM 862 CB VAL A 67 3.847 1.769 -1.611 1.00 0.00 C ATOM 863 CG1 VAL A 67 2.978 2.481 -2.636 1.00 0.00 C ATOM 864 CG2 VAL A 67 4.419 0.482 -2.186 1.00 0.00 C ATOM 0 H VAL A 67 5.438 2.033 0.811 1.00 0.00 H new ATOM 0 HA VAL A 67 5.622 2.941 -1.970 1.00 0.00 H new ATOM 0 HB VAL A 67 3.221 1.511 -0.757 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.184 1.812 -2.967 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.538 3.371 -2.185 1.00 0.00 H new ATOM 0 HG13 VAL A 67 3.588 2.772 -3.491 1.00 0.00 H new ATOM 0 HG21 VAL A 67 3.605 -0.159 -2.524 1.00 0.00 H new ATOM 0 HG22 VAL A 67 5.070 0.717 -3.028 1.00 0.00 H new ATOM 0 HG23 VAL A 67 4.993 -0.036 -1.418 1.00 0.00 H new ATOM 874 N THR A 68 4.379 5.030 -1.367 1.00 0.00 N ATOM 875 CA THR A 68 3.828 6.313 -0.949 1.00 0.00 C ATOM 876 C THR A 68 2.731 6.776 -1.900 1.00 0.00 C ATOM 877 O THR A 68 2.885 6.712 -3.120 1.00 0.00 O ATOM 878 CB THR A 68 4.920 7.396 -0.876 1.00 0.00 C ATOM 879 OG1 THR A 68 6.089 6.871 -0.236 1.00 0.00 O ATOM 880 CG2 THR A 68 4.423 8.616 -0.114 1.00 0.00 C ATOM 0 H THR A 68 4.761 5.023 -2.313 1.00 0.00 H new ATOM 0 HA THR A 68 3.405 6.167 0.045 1.00 0.00 H new ATOM 0 HB THR A 68 5.168 7.699 -1.893 1.00 0.00 H new ATOM 0 HG1 THR A 68 6.779 7.565 -0.195 1.00 0.00 H new ATOM 0 HG21 THR A 68 5.212 9.367 -0.076 1.00 0.00 H new ATOM 0 HG22 THR A 68 3.551 9.031 -0.620 1.00 0.00 H new ATOM 0 HG23 THR A 68 4.150 8.325 0.900 1.00 0.00 H new ATOM 888 N TYR A 69 1.623 7.244 -1.335 1.00 0.00 N ATOM 889 CA TYR A 69 0.499 7.717 -2.134 1.00 0.00 C ATOM 890 C TYR A 69 -0.118 8.969 -1.518 1.00 0.00 C ATOM 891 O TYR A 69 0.132 9.293 -0.356 1.00 0.00 O ATOM 892 CB TYR A 69 -0.561 6.622 -2.259 1.00 0.00 C ATOM 893 CG TYR A 69 -1.372 6.417 -1.000 1.00 0.00 C ATOM 894 CD1 TYR A 69 -0.924 5.573 0.009 1.00 0.00 C ATOM 895 CD2 TYR A 69 -2.587 7.067 -0.819 1.00 0.00 C ATOM 896 CE1 TYR A 69 -1.662 5.382 1.161 1.00 0.00 C ATOM 897 CE2 TYR A 69 -3.331 6.884 0.331 1.00 0.00 C ATOM 898 CZ TYR A 69 -2.865 6.040 1.317 1.00 0.00 C ATOM 899 OH TYR A 69 -3.602 5.854 2.464 1.00 0.00 O ATOM 0 H TYR A 69 1.480 7.306 -0.327 1.00 0.00 H new ATOM 0 HA TYR A 69 0.872 7.968 -3.127 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -1.235 6.872 -3.078 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -0.073 5.684 -2.523 1.00 0.00 H new ATOM 0 HD1 TYR A 69 0.018 5.057 -0.110 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -2.956 7.727 -1.590 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -1.300 4.722 1.935 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -4.272 7.399 0.457 1.00 0.00 H new ATOM 0 HH TYR A 69 -3.322 5.023 2.901 1.00 0.00 H new ATOM 909 N THR A 70 -0.927 9.671 -2.306 1.00 0.00 N ATOM 910 CA THR A 70 -1.580 10.888 -1.841 1.00 0.00 C ATOM 911 C THR A 70 -3.077 10.854 -2.130 1.00 0.00 C ATOM 912 O THR A 70 -3.510 10.793 -3.281 1.00 0.00 O ATOM 913 CB THR A 70 -0.970 12.140 -2.498 1.00 0.00 C ATOM 914 OG1 THR A 70 0.450 12.145 -2.318 1.00 0.00 O ATOM 915 CG2 THR A 70 -1.567 13.408 -1.906 1.00 0.00 C ATOM 0 H THR A 70 -1.145 9.417 -3.269 1.00 0.00 H new ATOM 0 HA THR A 70 -1.422 10.939 -0.764 1.00 0.00 H new ATOM 0 HB THR A 70 -1.200 12.113 -3.563 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.830 12.943 -2.740 1.00 0.00 H new ATOM 0 HG21 THR A 70 -1.120 14.279 -2.386 1.00 0.00 H new ATOM 0 HG22 THR A 70 -2.644 13.415 -2.072 1.00 0.00 H new ATOM 0 HG23 THR A 70 -1.365 13.440 -0.835 1.00 0.00 H new ATOM 923 N PRO A 71 -3.888 10.895 -1.062 1.00 0.00 N ATOM 924 CA PRO A 71 -5.349 10.871 -1.177 1.00 0.00 C ATOM 925 C PRO A 71 -5.905 12.161 -1.772 1.00 0.00 C ATOM 926 O PRO A 71 -5.278 13.216 -1.684 1.00 0.00 O ATOM 927 CB PRO A 71 -5.816 10.706 0.271 1.00 0.00 C ATOM 928 CG PRO A 71 -4.707 11.267 1.093 1.00 0.00 C ATOM 929 CD PRO A 71 -3.441 10.969 0.339 1.00 0.00 C ATOM 0 HA PRO A 71 -5.692 10.079 -1.843 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -6.750 11.239 0.449 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -5.996 9.658 0.512 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -4.832 12.340 1.237 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -4.687 10.813 2.084 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -2.695 11.750 0.482 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -2.989 10.033 0.667 1.00 0.00 H new ATOM 937 N MET A 72 -7.084 12.068 -2.377 1.00 0.00 N ATOM 938 CA MET A 72 -7.725 13.228 -2.985 1.00 0.00 C ATOM 939 C MET A 72 -9.118 13.448 -2.402 1.00 0.00 C ATOM 940 O MET A 72 -9.657 14.553 -2.459 1.00 0.00 O ATOM 941 CB MET A 72 -7.816 13.051 -4.502 1.00 0.00 C ATOM 942 CG MET A 72 -6.620 12.331 -5.102 1.00 0.00 C ATOM 943 SD MET A 72 -6.820 12.001 -6.863 1.00 0.00 S ATOM 944 CE MET A 72 -7.122 13.654 -7.485 1.00 0.00 C ATOM 0 H MET A 72 -7.615 11.201 -2.459 1.00 0.00 H new ATOM 0 HA MET A 72 -7.116 14.105 -2.765 1.00 0.00 H new ATOM 0 HB2 MET A 72 -8.722 12.494 -4.741 1.00 0.00 H new ATOM 0 HB3 MET A 72 -7.911 14.031 -4.969 1.00 0.00 H new ATOM 0 HG2 MET A 72 -5.724 12.933 -4.948 1.00 0.00 H new ATOM 0 HG3 MET A 72 -6.466 11.389 -4.575 1.00 0.00 H new ATOM 0 HE1 MET A 72 -6.950 13.675 -8.561 1.00 0.00 H new ATOM 0 HE2 MET A 72 -8.153 13.938 -7.277 1.00 0.00 H new ATOM 0 HE3 MET A 72 -6.446 14.356 -6.996 1.00 0.00 H new ATOM 954 N ALA A 73 -9.694 12.389 -1.843 1.00 0.00 N ATOM 955 CA ALA A 73 -11.023 12.467 -1.249 1.00 0.00 C ATOM 956 C ALA A 73 -11.133 11.558 -0.030 1.00 0.00 C ATOM 957 O ALA A 73 -10.506 10.502 0.046 1.00 0.00 O ATOM 958 CB ALA A 73 -12.083 12.105 -2.278 1.00 0.00 C ATOM 0 H ALA A 73 -9.261 11.467 -1.789 1.00 0.00 H new ATOM 0 HA ALA A 73 -11.188 13.493 -0.920 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -13.070 12.167 -1.821 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -12.027 12.798 -3.117 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -11.912 11.089 -2.635 1.00 0.00 H new ATOM 964 N PRO A 74 -11.950 11.976 0.949 1.00 0.00 N ATOM 965 CA PRO A 74 -12.162 11.213 2.183 1.00 0.00 C ATOM 966 C PRO A 74 -12.947 9.928 1.943 1.00 0.00 C ATOM 967 O PRO A 74 -14.010 9.945 1.324 1.00 0.00 O ATOM 968 CB PRO A 74 -12.966 12.175 3.061 1.00 0.00 C ATOM 969 CG PRO A 74 -13.660 13.076 2.098 1.00 0.00 C ATOM 970 CD PRO A 74 -12.730 13.225 0.926 1.00 0.00 C ATOM 0 HA PRO A 74 -11.221 10.891 2.630 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -13.680 11.638 3.686 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -12.316 12.737 3.731 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -14.615 12.653 1.787 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -13.873 14.043 2.553 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -13.278 13.340 -0.009 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -12.090 14.101 1.030 1.00 0.00 H new ATOM 978 N GLY A 75 -12.416 8.814 2.437 1.00 0.00 N ATOM 979 CA GLY A 75 -13.081 7.536 2.266 1.00 0.00 C ATOM 980 C GLY A 75 -12.227 6.372 2.728 1.00 0.00 C ATOM 981 O GLY A 75 -11.224 6.563 3.415 1.00 0.00 O ATOM 0 H GLY A 75 -11.537 8.774 2.953 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -14.017 7.540 2.824 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -13.337 7.401 1.215 1.00 0.00 H new ATOM 985 N ASN A 76 -12.626 5.161 2.352 1.00 0.00 N ATOM 986 CA ASN A 76 -11.891 3.961 2.735 1.00 0.00 C ATOM 987 C ASN A 76 -11.131 3.386 1.544 1.00 0.00 C ATOM 988 O ASN A 76 -11.729 2.840 0.616 1.00 0.00 O ATOM 989 CB ASN A 76 -12.849 2.909 3.299 1.00 0.00 C ATOM 990 CG ASN A 76 -13.871 3.507 4.247 1.00 0.00 C ATOM 991 OD1 ASN A 76 -13.665 3.535 5.460 1.00 0.00 O ATOM 992 ND2 ASN A 76 -14.979 3.987 3.695 1.00 0.00 N ATOM 0 H ASN A 76 -13.454 4.985 1.783 1.00 0.00 H new ATOM 0 HA ASN A 76 -11.170 4.236 3.505 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -13.366 2.414 2.477 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -12.276 2.143 3.822 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -15.703 4.401 4.282 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -15.106 3.942 2.684 1.00 0.00 H new ATOM 999 N TYR A 77 -9.809 3.512 1.577 1.00 0.00 N ATOM 1000 CA TYR A 77 -8.966 3.007 0.499 1.00 0.00 C ATOM 1001 C TYR A 77 -8.485 1.591 0.802 1.00 0.00 C ATOM 1002 O TYR A 77 -7.739 1.366 1.756 1.00 0.00 O ATOM 1003 CB TYR A 77 -7.765 3.930 0.287 1.00 0.00 C ATOM 1004 CG TYR A 77 -8.140 5.299 -0.236 1.00 0.00 C ATOM 1005 CD1 TYR A 77 -8.634 6.278 0.617 1.00 0.00 C ATOM 1006 CD2 TYR A 77 -8.000 5.613 -1.582 1.00 0.00 C ATOM 1007 CE1 TYR A 77 -8.978 7.530 0.145 1.00 0.00 C ATOM 1008 CE2 TYR A 77 -8.339 6.862 -2.063 1.00 0.00 C ATOM 1009 CZ TYR A 77 -8.828 7.817 -1.196 1.00 0.00 C ATOM 1010 OH TYR A 77 -9.169 9.063 -1.672 1.00 0.00 O ATOM 0 H TYR A 77 -9.298 3.959 2.338 1.00 0.00 H new ATOM 0 HA TYR A 77 -9.562 2.982 -0.413 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -7.233 4.044 1.232 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -7.074 3.459 -0.413 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -8.751 6.056 1.668 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -7.619 4.867 -2.264 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -9.362 8.279 0.822 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -8.222 7.090 -3.112 1.00 0.00 H new ATOM 0 HH TYR A 77 -9.681 9.545 -0.990 1.00 0.00 H new ATOM 1020 N LEU A 78 -8.917 0.638 -0.017 1.00 0.00 N ATOM 1021 CA LEU A 78 -8.531 -0.757 0.161 1.00 0.00 C ATOM 1022 C LEU A 78 -7.151 -1.020 -0.433 1.00 0.00 C ATOM 1023 O LEU A 78 -6.932 -0.826 -1.629 1.00 0.00 O ATOM 1024 CB LEU A 78 -9.563 -1.679 -0.491 1.00 0.00 C ATOM 1025 CG LEU A 78 -9.591 -3.121 0.017 1.00 0.00 C ATOM 1026 CD1 LEU A 78 -8.202 -3.737 -0.050 1.00 0.00 C ATOM 1027 CD2 LEU A 78 -10.132 -3.176 1.438 1.00 0.00 C ATOM 0 H LEU A 78 -9.535 0.806 -0.811 1.00 0.00 H new ATOM 0 HA LEU A 78 -8.492 -0.964 1.230 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -10.552 -1.244 -0.346 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -9.377 -1.697 -1.565 1.00 0.00 H new ATOM 0 HG LEU A 78 -10.255 -3.699 -0.626 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -8.241 -4.763 0.315 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -7.851 -3.732 -1.082 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -7.517 -3.157 0.569 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -10.145 -4.210 1.783 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -9.494 -2.583 2.093 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -11.145 -2.775 1.457 1.00 0.00 H new ATOM 1039 N ILE A 79 -6.225 -1.465 0.410 1.00 0.00 N ATOM 1040 CA ILE A 79 -4.868 -1.758 -0.032 1.00 0.00 C ATOM 1041 C ILE A 79 -4.651 -3.260 -0.184 1.00 0.00 C ATOM 1042 O ILE A 79 -4.725 -4.009 0.789 1.00 0.00 O ATOM 1043 CB ILE A 79 -3.822 -1.197 0.950 1.00 0.00 C ATOM 1044 CG1 ILE A 79 -3.898 0.331 0.992 1.00 0.00 C ATOM 1045 CG2 ILE A 79 -2.426 -1.652 0.555 1.00 0.00 C ATOM 1046 CD1 ILE A 79 -3.268 0.933 2.228 1.00 0.00 C ATOM 0 H ILE A 79 -6.390 -1.630 1.403 1.00 0.00 H new ATOM 0 HA ILE A 79 -4.741 -1.275 -1.001 1.00 0.00 H new ATOM 0 HB ILE A 79 -4.039 -1.581 1.947 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -3.404 0.736 0.108 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -4.943 0.636 0.941 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -1.699 -1.247 1.259 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -2.380 -2.741 0.572 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -2.197 -1.295 -0.449 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -3.358 2.019 2.191 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -3.777 0.557 3.116 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -2.214 0.658 2.270 1.00 0.00 H new ATOM 1058 N ALA A 80 -4.382 -3.692 -1.411 1.00 0.00 N ATOM 1059 CA ALA A 80 -4.150 -5.104 -1.691 1.00 0.00 C ATOM 1060 C ALA A 80 -2.660 -5.424 -1.702 1.00 0.00 C ATOM 1061 O ALA A 80 -1.911 -4.911 -2.534 1.00 0.00 O ATOM 1062 CB ALA A 80 -4.785 -5.490 -3.019 1.00 0.00 C ATOM 0 H ALA A 80 -4.319 -3.084 -2.228 1.00 0.00 H new ATOM 0 HA ALA A 80 -4.614 -5.688 -0.896 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -4.604 -6.547 -3.215 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -5.859 -5.308 -2.975 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -4.348 -4.892 -3.819 1.00 0.00 H new ATOM 1068 N ILE A 81 -2.235 -6.274 -0.773 1.00 0.00 N ATOM 1069 CA ILE A 81 -0.833 -6.662 -0.677 1.00 0.00 C ATOM 1070 C ILE A 81 -0.675 -8.176 -0.762 1.00 0.00 C ATOM 1071 O ILE A 81 -1.121 -8.909 0.121 1.00 0.00 O ATOM 1072 CB ILE A 81 -0.200 -6.164 0.636 1.00 0.00 C ATOM 1073 CG1 ILE A 81 -0.337 -4.644 0.749 1.00 0.00 C ATOM 1074 CG2 ILE A 81 1.263 -6.576 0.707 1.00 0.00 C ATOM 1075 CD1 ILE A 81 -0.043 -4.113 2.135 1.00 0.00 C ATOM 0 H ILE A 81 -2.841 -6.707 -0.076 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.318 -6.197 -1.518 1.00 0.00 H new ATOM 0 HB ILE A 81 -0.728 -6.621 1.473 1.00 0.00 H new ATOM 0 HG12 ILE A 81 0.340 -4.172 0.037 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -1.349 -4.356 0.465 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.697 -6.217 1.640 1.00 0.00 H new ATOM 0 HG22 ILE A 81 1.337 -7.663 0.666 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.804 -6.144 -0.135 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -0.159 -3.029 2.142 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -0.736 -4.557 2.849 1.00 0.00 H new ATOM 0 HD13 ILE A 81 0.979 -4.370 2.414 1.00 0.00 H new ATOM 1087 N LYS A 82 -0.036 -8.639 -1.831 1.00 0.00 N ATOM 1088 CA LYS A 82 0.186 -10.066 -2.031 1.00 0.00 C ATOM 1089 C LYS A 82 1.674 -10.374 -2.160 1.00 0.00 C ATOM 1090 O LYS A 82 2.477 -9.488 -2.455 1.00 0.00 O ATOM 1091 CB LYS A 82 -0.555 -10.547 -3.281 1.00 0.00 C ATOM 1092 CG LYS A 82 -2.057 -10.332 -3.218 1.00 0.00 C ATOM 1093 CD LYS A 82 -2.791 -11.236 -4.195 1.00 0.00 C ATOM 1094 CE LYS A 82 -4.102 -10.615 -4.652 1.00 0.00 C ATOM 1095 NZ LYS A 82 -3.880 -9.455 -5.559 1.00 0.00 N ATOM 0 H LYS A 82 0.337 -8.046 -2.572 1.00 0.00 H new ATOM 0 HA LYS A 82 -0.201 -10.594 -1.159 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -0.158 -10.025 -4.152 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -0.354 -11.608 -3.426 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -2.411 -10.525 -2.205 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -2.286 -9.290 -3.442 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -2.157 -11.429 -5.061 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -2.988 -12.199 -3.724 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -4.701 -11.368 -5.165 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -4.673 -10.292 -3.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -4.744 -9.273 -6.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -3.645 -8.613 -4.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -3.096 -9.667 -6.208 1.00 0.00 H new ATOM 1109 N TYR A 83 2.035 -11.633 -1.939 1.00 0.00 N ATOM 1110 CA TYR A 83 3.427 -12.056 -2.029 1.00 0.00 C ATOM 1111 C TYR A 83 3.526 -13.563 -2.247 1.00 0.00 C ATOM 1112 O TYR A 83 2.713 -14.330 -1.733 1.00 0.00 O ATOM 1113 CB TYR A 83 4.185 -11.662 -0.761 1.00 0.00 C ATOM 1114 CG TYR A 83 5.689 -11.697 -0.918 1.00 0.00 C ATOM 1115 CD1 TYR A 83 6.363 -10.674 -1.573 1.00 0.00 C ATOM 1116 CD2 TYR A 83 6.435 -12.754 -0.411 1.00 0.00 C ATOM 1117 CE1 TYR A 83 7.736 -10.702 -1.720 1.00 0.00 C ATOM 1118 CE2 TYR A 83 7.809 -12.790 -0.551 1.00 0.00 C ATOM 1119 CZ TYR A 83 8.455 -11.762 -1.207 1.00 0.00 C ATOM 1120 OH TYR A 83 9.823 -11.794 -1.350 1.00 0.00 O ATOM 0 H TYR A 83 1.383 -12.379 -1.696 1.00 0.00 H new ATOM 0 HA TYR A 83 3.878 -11.553 -2.885 1.00 0.00 H new ATOM 0 HB2 TYR A 83 3.882 -10.658 -0.464 1.00 0.00 H new ATOM 0 HB3 TYR A 83 3.897 -12.334 0.048 1.00 0.00 H new ATOM 0 HD1 TYR A 83 5.803 -9.842 -1.974 1.00 0.00 H new ATOM 0 HD2 TYR A 83 5.932 -13.561 0.101 1.00 0.00 H new ATOM 0 HE1 TYR A 83 8.244 -9.899 -2.233 1.00 0.00 H new ATOM 0 HE2 TYR A 83 8.374 -13.618 -0.149 1.00 0.00 H new ATOM 0 HH TYR A 83 10.220 -12.273 -0.593 1.00 0.00 H new ATOM 1130 N GLY A 84 4.529 -13.980 -3.013 1.00 0.00 N ATOM 1131 CA GLY A 84 4.717 -15.392 -3.285 1.00 0.00 C ATOM 1132 C GLY A 84 3.404 -16.138 -3.412 1.00 0.00 C ATOM 1133 O GLY A 84 3.225 -17.200 -2.817 1.00 0.00 O ATOM 0 H GLY A 84 5.215 -13.364 -3.450 1.00 0.00 H new ATOM 0 HA2 GLY A 84 5.288 -15.508 -4.206 1.00 0.00 H new ATOM 0 HA3 GLY A 84 5.308 -15.837 -2.485 1.00 0.00 H new ATOM 1137 N GLY A 85 2.481 -15.580 -4.190 1.00 0.00 N ATOM 1138 CA GLY A 85 1.188 -16.212 -4.378 1.00 0.00 C ATOM 1139 C GLY A 85 0.099 -15.215 -4.720 1.00 0.00 C ATOM 1140 O GLY A 85 0.117 -14.067 -4.275 1.00 0.00 O ATOM 0 H GLY A 85 2.606 -14.702 -4.693 1.00 0.00 H new ATOM 0 HA2 GLY A 85 1.261 -16.952 -5.175 1.00 0.00 H new ATOM 0 HA3 GLY A 85 0.913 -16.748 -3.469 1.00 0.00 H new ATOM 1144 N PRO A 86 -0.876 -15.652 -5.530 1.00 0.00 N ATOM 1145 CA PRO A 86 -1.995 -14.804 -5.951 1.00 0.00 C ATOM 1146 C PRO A 86 -2.952 -14.497 -4.804 1.00 0.00 C ATOM 1147 O PRO A 86 -3.967 -13.827 -4.994 1.00 0.00 O ATOM 1148 CB PRO A 86 -2.696 -15.646 -7.021 1.00 0.00 C ATOM 1149 CG PRO A 86 -2.345 -17.054 -6.684 1.00 0.00 C ATOM 1150 CD PRO A 86 -0.961 -17.008 -6.098 1.00 0.00 C ATOM 0 HA PRO A 86 -1.657 -13.831 -6.308 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -3.775 -15.492 -7.003 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -2.353 -15.381 -8.021 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -3.056 -17.474 -5.972 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -2.372 -17.686 -7.572 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -0.822 -17.773 -5.334 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -0.197 -17.174 -6.858 1.00 0.00 H new ATOM 1158 N GLN A 87 -2.621 -14.990 -3.615 1.00 0.00 N ATOM 1159 CA GLN A 87 -3.453 -14.767 -2.438 1.00 0.00 C ATOM 1160 C GLN A 87 -2.951 -13.570 -1.636 1.00 0.00 C ATOM 1161 O GLN A 87 -1.924 -12.976 -1.964 1.00 0.00 O ATOM 1162 CB GLN A 87 -3.470 -16.016 -1.556 1.00 0.00 C ATOM 1163 CG GLN A 87 -4.459 -17.074 -2.018 1.00 0.00 C ATOM 1164 CD GLN A 87 -5.883 -16.556 -2.075 1.00 0.00 C ATOM 1165 OE1 GLN A 87 -6.594 -16.550 -1.070 1.00 0.00 O ATOM 1166 NE2 GLN A 87 -6.307 -16.119 -3.255 1.00 0.00 N ATOM 0 H GLN A 87 -1.784 -15.546 -3.441 1.00 0.00 H new ATOM 0 HA GLN A 87 -4.468 -14.555 -2.775 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -2.470 -16.450 -1.535 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -3.713 -15.725 -0.534 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -4.167 -17.433 -3.005 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -4.414 -17.928 -1.342 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -5.683 -16.142 -4.062 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -7.256 -15.760 -3.355 1.00 0.00 H new ATOM 1175 N HIS A 88 -3.684 -13.221 -0.583 1.00 0.00 N ATOM 1176 CA HIS A 88 -3.313 -12.095 0.267 1.00 0.00 C ATOM 1177 C HIS A 88 -2.443 -12.557 1.432 1.00 0.00 C ATOM 1178 O HIS A 88 -2.612 -13.664 1.945 1.00 0.00 O ATOM 1179 CB HIS A 88 -4.564 -11.395 0.796 1.00 0.00 C ATOM 1180 CG HIS A 88 -5.276 -10.577 -0.238 1.00 0.00 C ATOM 1181 ND1 HIS A 88 -5.609 -9.252 -0.052 1.00 0.00 N ATOM 1182 CD2 HIS A 88 -5.717 -10.904 -1.475 1.00 0.00 C ATOM 1183 CE1 HIS A 88 -6.225 -8.800 -1.129 1.00 0.00 C ATOM 1184 NE2 HIS A 88 -6.303 -9.783 -2.008 1.00 0.00 N ATOM 0 H HIS A 88 -4.538 -13.701 -0.298 1.00 0.00 H new ATOM 0 HA HIS A 88 -2.739 -11.391 -0.335 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -5.250 -12.144 1.190 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -4.284 -10.750 1.629 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -5.625 -11.868 -1.954 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -6.601 -7.797 -1.268 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -6.729 -9.719 -2.932 1.00 0.00 H new ATOM 1193 N ILE A 89 -1.512 -11.703 1.844 1.00 0.00 N ATOM 1194 CA ILE A 89 -0.616 -12.024 2.948 1.00 0.00 C ATOM 1195 C ILE A 89 -1.314 -11.843 4.292 1.00 0.00 C ATOM 1196 O ILE A 89 -2.274 -11.081 4.408 1.00 0.00 O ATOM 1197 CB ILE A 89 0.650 -11.148 2.918 1.00 0.00 C ATOM 1198 CG1 ILE A 89 0.280 -9.672 3.072 1.00 0.00 C ATOM 1199 CG2 ILE A 89 1.421 -11.375 1.626 1.00 0.00 C ATOM 1200 CD1 ILE A 89 1.356 -8.845 3.740 1.00 0.00 C ATOM 0 H ILE A 89 -1.359 -10.784 1.430 1.00 0.00 H new ATOM 0 HA ILE A 89 -0.328 -13.068 2.828 1.00 0.00 H new ATOM 0 HB ILE A 89 1.289 -11.431 3.754 1.00 0.00 H new ATOM 0 HG12 ILE A 89 0.071 -9.254 2.087 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -0.639 -9.595 3.653 1.00 0.00 H new ATOM 0 HG21 ILE A 89 2.313 -10.749 1.620 1.00 0.00 H new ATOM 0 HG22 ILE A 89 1.713 -12.423 1.556 1.00 0.00 H new ATOM 0 HG23 ILE A 89 0.790 -11.116 0.776 1.00 0.00 H new ATOM 0 HD11 ILE A 89 1.025 -7.809 3.815 1.00 0.00 H new ATOM 0 HD12 ILE A 89 1.550 -9.238 4.738 1.00 0.00 H new ATOM 0 HD13 ILE A 89 2.270 -8.891 3.148 1.00 0.00 H new ATOM 1212 N VAL A 90 -0.824 -12.549 5.306 1.00 0.00 N ATOM 1213 CA VAL A 90 -1.398 -12.464 6.644 1.00 0.00 C ATOM 1214 C VAL A 90 -1.722 -11.021 7.013 1.00 0.00 C ATOM 1215 O VAL A 90 -0.826 -10.190 7.157 1.00 0.00 O ATOM 1216 CB VAL A 90 -0.445 -13.052 7.702 1.00 0.00 C ATOM 1217 CG1 VAL A 90 0.952 -12.472 7.543 1.00 0.00 C ATOM 1218 CG2 VAL A 90 -0.981 -12.796 9.102 1.00 0.00 C ATOM 0 H VAL A 90 -0.031 -13.186 5.227 1.00 0.00 H new ATOM 0 HA VAL A 90 -2.319 -13.047 6.631 1.00 0.00 H new ATOM 0 HB VAL A 90 -0.384 -14.130 7.552 1.00 0.00 H new ATOM 0 HG11 VAL A 90 1.611 -12.899 8.299 1.00 0.00 H new ATOM 0 HG12 VAL A 90 1.335 -12.711 6.551 1.00 0.00 H new ATOM 0 HG13 VAL A 90 0.913 -11.390 7.665 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -0.295 -13.218 9.837 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -1.073 -11.722 9.266 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -1.960 -13.264 9.208 1.00 0.00 H new ATOM 1228 N GLY A 91 -3.010 -10.730 7.166 1.00 0.00 N ATOM 1229 CA GLY A 91 -3.430 -9.386 7.518 1.00 0.00 C ATOM 1230 C GLY A 91 -4.171 -8.696 6.390 1.00 0.00 C ATOM 1231 O GLY A 91 -5.187 -8.040 6.616 1.00 0.00 O ATOM 0 H GLY A 91 -3.770 -11.401 7.053 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -4.072 -9.428 8.398 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -2.555 -8.795 7.789 1.00 0.00 H new ATOM 1235 N SER A 92 -3.660 -8.843 5.172 1.00 0.00 N ATOM 1236 CA SER A 92 -4.277 -8.224 4.004 1.00 0.00 C ATOM 1237 C SER A 92 -5.590 -8.916 3.653 1.00 0.00 C ATOM 1238 O SER A 92 -5.827 -10.071 4.008 1.00 0.00 O ATOM 1239 CB SER A 92 -3.324 -8.277 2.809 1.00 0.00 C ATOM 1240 OG SER A 92 -2.377 -7.223 2.864 1.00 0.00 O ATOM 0 H SER A 92 -2.820 -9.385 4.968 1.00 0.00 H new ATOM 0 HA SER A 92 -4.488 -7.182 4.245 1.00 0.00 H new ATOM 0 HB2 SER A 92 -2.805 -9.236 2.796 1.00 0.00 H new ATOM 0 HB3 SER A 92 -3.894 -8.210 1.882 1.00 0.00 H new ATOM 0 HG SER A 92 -2.498 -6.717 3.695 1.00 0.00 H new ATOM 1246 N PRO A 93 -6.466 -8.194 2.938 1.00 0.00 N ATOM 1247 CA PRO A 93 -6.195 -6.818 2.511 1.00 0.00 C ATOM 1248 C PRO A 93 -6.191 -5.838 3.679 1.00 0.00 C ATOM 1249 O PRO A 93 -6.714 -6.135 4.753 1.00 0.00 O ATOM 1250 CB PRO A 93 -7.351 -6.508 1.557 1.00 0.00 C ATOM 1251 CG PRO A 93 -8.453 -7.412 1.992 1.00 0.00 C ATOM 1252 CD PRO A 93 -7.788 -8.664 2.493 1.00 0.00 C ATOM 0 HA PRO A 93 -5.210 -6.720 2.055 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -7.648 -5.461 1.622 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -7.070 -6.696 0.521 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -9.052 -6.948 2.776 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -9.127 -7.632 1.164 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -8.349 -9.117 3.310 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -7.704 -9.416 1.708 1.00 0.00 H new ATOM 1260 N PHE A 94 -5.597 -4.669 3.462 1.00 0.00 N ATOM 1261 CA PHE A 94 -5.525 -3.645 4.498 1.00 0.00 C ATOM 1262 C PHE A 94 -6.437 -2.468 4.164 1.00 0.00 C ATOM 1263 O PHE A 94 -6.283 -1.823 3.127 1.00 0.00 O ATOM 1264 CB PHE A 94 -4.084 -3.157 4.663 1.00 0.00 C ATOM 1265 CG PHE A 94 -3.165 -4.191 5.248 1.00 0.00 C ATOM 1266 CD1 PHE A 94 -3.220 -4.502 6.597 1.00 0.00 C ATOM 1267 CD2 PHE A 94 -2.246 -4.852 4.449 1.00 0.00 C ATOM 1268 CE1 PHE A 94 -2.374 -5.452 7.138 1.00 0.00 C ATOM 1269 CE2 PHE A 94 -1.398 -5.803 4.984 1.00 0.00 C ATOM 1270 CZ PHE A 94 -1.463 -6.104 6.330 1.00 0.00 C ATOM 0 H PHE A 94 -5.159 -4.407 2.579 1.00 0.00 H new ATOM 0 HA PHE A 94 -5.861 -4.088 5.435 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -3.699 -2.849 3.691 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -4.079 -2.274 5.302 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -3.932 -3.997 7.233 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -2.192 -4.621 3.395 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -2.425 -5.684 8.191 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -0.685 -6.310 4.350 1.00 0.00 H new ATOM 0 HZ PHE A 94 -0.803 -6.848 6.750 1.00 0.00 H new ATOM 1280 N LYS A 95 -7.388 -2.194 5.050 1.00 0.00 N ATOM 1281 CA LYS A 95 -8.326 -1.095 4.852 1.00 0.00 C ATOM 1282 C LYS A 95 -7.800 0.189 5.485 1.00 0.00 C ATOM 1283 O LYS A 95 -7.407 0.202 6.651 1.00 0.00 O ATOM 1284 CB LYS A 95 -9.690 -1.449 5.448 1.00 0.00 C ATOM 1285 CG LYS A 95 -10.856 -0.784 4.735 1.00 0.00 C ATOM 1286 CD LYS A 95 -12.156 -1.531 4.976 1.00 0.00 C ATOM 1287 CE LYS A 95 -13.107 -1.390 3.798 1.00 0.00 C ATOM 1288 NZ LYS A 95 -13.990 -0.199 3.937 1.00 0.00 N ATOM 0 H LYS A 95 -7.530 -2.718 5.913 1.00 0.00 H new ATOM 0 HA LYS A 95 -8.436 -0.932 3.780 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -9.823 -2.530 5.414 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -9.704 -1.159 6.499 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -10.957 0.245 5.082 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -10.653 -0.741 3.665 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -11.944 -2.586 5.149 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -12.634 -1.150 5.878 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -12.533 -1.310 2.875 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -13.719 -2.288 3.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -14.978 -0.509 4.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -13.712 0.343 4.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -13.897 0.402 3.093 1.00 0.00 H new ATOM 1302 N ALA A 96 -7.798 1.268 4.709 1.00 0.00 N ATOM 1303 CA ALA A 96 -7.324 2.558 5.195 1.00 0.00 C ATOM 1304 C ALA A 96 -8.436 3.601 5.158 1.00 0.00 C ATOM 1305 O ALA A 96 -9.049 3.833 4.116 1.00 0.00 O ATOM 1306 CB ALA A 96 -6.131 3.026 4.375 1.00 0.00 C ATOM 0 H ALA A 96 -8.119 1.274 3.741 1.00 0.00 H new ATOM 0 HA ALA A 96 -7.012 2.435 6.232 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -5.788 3.990 4.749 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -5.325 2.297 4.457 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.424 3.126 3.330 1.00 0.00 H new ATOM 1312 N LYS A 97 -8.692 4.226 6.302 1.00 0.00 N ATOM 1313 CA LYS A 97 -9.730 5.245 6.401 1.00 0.00 C ATOM 1314 C LYS A 97 -9.118 6.641 6.469 1.00 0.00 C ATOM 1315 O LYS A 97 -8.469 6.998 7.452 1.00 0.00 O ATOM 1316 CB LYS A 97 -10.600 4.998 7.636 1.00 0.00 C ATOM 1317 CG LYS A 97 -11.759 5.971 7.768 1.00 0.00 C ATOM 1318 CD LYS A 97 -12.819 5.449 8.723 1.00 0.00 C ATOM 1319 CE LYS A 97 -12.397 5.622 10.174 1.00 0.00 C ATOM 1320 NZ LYS A 97 -13.353 4.971 11.112 1.00 0.00 N ATOM 0 H LYS A 97 -8.195 4.045 7.174 1.00 0.00 H new ATOM 0 HA LYS A 97 -10.351 5.183 5.508 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -10.992 3.982 7.596 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -9.977 5.065 8.528 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -11.389 6.933 8.124 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -12.204 6.143 6.788 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -13.757 5.977 8.551 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -13.005 4.394 8.520 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -11.403 5.198 10.316 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -12.326 6.684 10.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -13.030 5.112 12.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -14.296 5.393 10.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -13.402 3.953 10.907 1.00 0.00 H new ATOM 1334 N VAL A 98 -9.331 7.427 5.418 1.00 0.00 N ATOM 1335 CA VAL A 98 -8.802 8.784 5.360 1.00 0.00 C ATOM 1336 C VAL A 98 -9.864 9.805 5.755 1.00 0.00 C ATOM 1337 O VAL A 98 -11.052 9.617 5.492 1.00 0.00 O ATOM 1338 CB VAL A 98 -8.280 9.123 3.951 1.00 0.00 C ATOM 1339 CG1 VAL A 98 -8.008 10.615 3.826 1.00 0.00 C ATOM 1340 CG2 VAL A 98 -7.028 8.317 3.639 1.00 0.00 C ATOM 0 H VAL A 98 -9.866 7.147 4.596 1.00 0.00 H new ATOM 0 HA VAL A 98 -7.974 8.832 6.068 1.00 0.00 H new ATOM 0 HB VAL A 98 -9.047 8.856 3.224 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -7.640 10.835 2.824 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -8.930 11.169 4.004 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -7.259 10.911 4.561 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -6.673 8.569 2.640 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -6.253 8.551 4.369 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -7.260 7.253 3.684 1.00 0.00 H new ATOM 1350 N THR A 99 -9.427 10.889 6.390 1.00 0.00 N ATOM 1351 CA THR A 99 -10.339 11.940 6.823 1.00 0.00 C ATOM 1352 C THR A 99 -9.993 13.272 6.169 1.00 0.00 C ATOM 1353 O THR A 99 -8.951 13.409 5.529 1.00 0.00 O ATOM 1354 CB THR A 99 -10.313 12.111 8.354 1.00 0.00 C ATOM 1355 OG1 THR A 99 -9.176 12.889 8.741 1.00 0.00 O ATOM 1356 CG2 THR A 99 -10.269 10.758 9.048 1.00 0.00 C ATOM 0 H THR A 99 -8.447 11.061 6.615 1.00 0.00 H new ATOM 0 HA THR A 99 -11.340 11.636 6.515 1.00 0.00 H new ATOM 0 HB THR A 99 -11.224 12.627 8.656 1.00 0.00 H new ATOM 0 HG1 THR A 99 -9.168 12.994 9.715 1.00 0.00 H new ATOM 0 HG21 THR A 99 -10.251 10.904 10.128 1.00 0.00 H new ATOM 0 HG22 THR A 99 -11.152 10.180 8.774 1.00 0.00 H new ATOM 0 HG23 THR A 99 -9.373 10.220 8.740 1.00 0.00 H new ATOM 1364 N GLY A 100 -10.874 14.254 6.333 1.00 0.00 N ATOM 1365 CA GLY A 100 -10.643 15.564 5.752 1.00 0.00 C ATOM 1366 C GLY A 100 -11.539 15.836 4.560 1.00 0.00 C ATOM 1367 O GLY A 100 -12.211 14.943 4.045 1.00 0.00 O ATOM 0 H GLY A 100 -11.744 14.166 6.858 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -10.810 16.329 6.510 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -9.600 15.643 5.444 1.00 0.00 H new ATOM 1371 N PRO A 101 -11.557 17.098 4.105 1.00 0.00 N ATOM 1372 CA PRO A 101 -12.374 17.515 2.961 1.00 0.00 C ATOM 1373 C PRO A 101 -11.862 16.942 1.644 1.00 0.00 C ATOM 1374 O PRO A 101 -10.709 16.525 1.544 1.00 0.00 O ATOM 1375 CB PRO A 101 -12.243 19.040 2.969 1.00 0.00 C ATOM 1376 CG PRO A 101 -10.944 19.305 3.648 1.00 0.00 C ATOM 1377 CD PRO A 101 -10.781 18.214 4.671 1.00 0.00 C ATOM 0 HA PRO A 101 -13.402 17.162 3.043 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -12.250 19.443 1.956 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -13.071 19.506 3.503 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -10.121 19.296 2.933 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -10.944 20.287 4.121 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -9.734 17.946 4.809 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -11.164 18.516 5.646 1.00 0.00 H new