USER MOD reduce.3.24.130724 H: found=0, std=0, add=551, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 551 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 4 LYS NZ :NH3+ -117:sc= 0.503 (180deg=-2.33!) USER MOD Set 1.2: A 6 TYR OH : rot 180:sc= 0.0264 USER MOD Single : A 7 TYR OH : rot -165:sc= -6.7! USER MOD Single : A 10 MET CE :methyl -140:sc= -21.1! (180deg=-24.6!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot -55:sc= 0.442 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot -114:sc= -1.61! USER MOD Single : A 22 LYS NZ :NH3+ -166:sc= -0.927 (180deg=-1.33) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -143:sc= -0.631 (180deg=-2.45!) USER MOD Single : A 32 TYR OH : rot -19:sc= 0.198 USER MOD Single : A 33 HIS : no HD1:sc= -4.24! C(o=-4.2!,f=-8.8!) USER MOD Single : A 37 SER OG : rot -100:sc= -5.89! USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot -106:sc= 0.964 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 TYR OH : rot -96:sc= -7.45! USER MOD Single : A 67 GLN : amide:sc= -0.0987 K(o=-0.099,f=-2.2!) USER MOD Single : A 68 MET CE :methyl -131:sc= -14.4! (180deg=-20.8!) USER MOD ----------------------------------------------------------------- ATOM 16 N LEU A 3 3.343 0.617 -8.731 1.00 40.11 N ATOM 17 CA LEU A 3 4.015 1.242 -9.905 1.00 64.41 C ATOM 18 C LEU A 3 3.541 2.657 -10.145 1.00 1.42 C ATOM 19 O LEU A 3 2.391 2.901 -10.450 1.00 10.25 O ATOM 20 CB LEU A 3 3.602 0.409 -11.111 1.00 41.05 C ATOM 21 CG LEU A 3 4.471 0.741 -12.321 1.00 74.30 C ATOM 22 CD1 LEU A 3 4.229 2.182 -12.739 1.00 31.13 C ATOM 23 CD2 LEU A 3 5.940 0.575 -11.990 1.00 11.04 C ATOM 0 HA LEU A 3 5.091 1.273 -9.736 1.00 64.41 H new ATOM 0 HB2 LEU A 3 3.690 -0.651 -10.874 1.00 41.05 H new ATOM 0 HB3 LEU A 3 2.555 0.597 -11.347 1.00 41.05 H new ATOM 0 HG LEU A 3 4.206 0.059 -13.129 1.00 74.30 H new ATOM 0 HD11 LEU A 3 4.850 2.419 -13.603 1.00 31.13 H new ATOM 0 HD12 LEU A 3 3.179 2.314 -12.999 1.00 31.13 H new ATOM 0 HD13 LEU A 3 4.485 2.848 -11.915 1.00 31.13 H new ATOM 0 HD21 LEU A 3 6.540 0.817 -12.867 1.00 11.04 H new ATOM 0 HD22 LEU A 3 6.207 1.244 -11.172 1.00 11.04 H new ATOM 0 HD23 LEU A 3 6.132 -0.456 -11.692 1.00 11.04 H new ATOM 35 N LYS A 4 4.444 3.575 -10.126 1.00 54.11 N ATOM 36 CA LYS A 4 4.075 4.943 -10.479 1.00 33.44 C ATOM 37 C LYS A 4 3.921 4.943 -11.969 1.00 22.23 C ATOM 38 O LYS A 4 4.878 4.841 -12.678 1.00 72.44 O ATOM 39 CB LYS A 4 5.248 5.798 -10.068 1.00 22.34 C ATOM 40 CG LYS A 4 4.734 7.026 -9.351 1.00 74.13 C ATOM 41 CD LYS A 4 5.747 8.156 -9.509 1.00 20.04 C ATOM 42 CE LYS A 4 6.669 8.158 -8.287 1.00 21.42 C ATOM 43 NZ LYS A 4 7.806 7.264 -8.650 1.00 71.41 N ATOM 0 H LYS A 4 5.424 3.432 -9.880 1.00 54.11 H new ATOM 0 HA LYS A 4 3.163 5.307 -10.006 1.00 33.44 H new ATOM 0 HB2 LYS A 4 5.916 5.234 -9.417 1.00 22.34 H new ATOM 0 HB3 LYS A 4 5.828 6.088 -10.944 1.00 22.34 H new ATOM 0 HG2 LYS A 4 3.770 7.325 -9.762 1.00 74.13 H new ATOM 0 HG3 LYS A 4 4.577 6.807 -8.295 1.00 74.13 H new ATOM 0 HD2 LYS A 4 6.328 8.019 -10.421 1.00 20.04 H new ATOM 0 HD3 LYS A 4 5.235 9.114 -9.598 1.00 20.04 H new ATOM 0 HE2 LYS A 4 7.018 9.165 -8.059 1.00 21.42 H new ATOM 0 HE3 LYS A 4 6.149 7.793 -7.401 1.00 21.42 H new ATOM 0 HZ1 LYS A 4 7.823 6.446 -8.009 1.00 71.41 H new ATOM 0 HZ2 LYS A 4 7.689 6.934 -9.629 1.00 71.41 H new ATOM 0 HZ3 LYS A 4 8.700 7.788 -8.566 1.00 71.41 H new ATOM 57 N ASP A 5 2.736 4.999 -12.455 1.00 23.12 N ATOM 58 CA ASP A 5 2.578 4.917 -13.924 1.00 13.43 C ATOM 59 C ASP A 5 3.263 6.100 -14.600 1.00 73.42 C ATOM 60 O ASP A 5 2.638 6.959 -15.164 1.00 54.12 O ATOM 61 CB ASP A 5 1.073 4.930 -14.182 1.00 11.12 C ATOM 62 CG ASP A 5 0.365 4.011 -13.183 1.00 20.41 C ATOM 63 OD1 ASP A 5 0.342 4.348 -12.011 1.00 22.42 O ATOM 64 OD2 ASP A 5 -0.142 2.985 -13.608 1.00 54.33 O ATOM 0 H ASP A 5 1.875 5.096 -11.916 1.00 23.12 H new ATOM 0 HA ASP A 5 3.038 4.017 -14.332 1.00 13.43 H new ATOM 0 HB2 ASP A 5 0.688 5.946 -14.091 1.00 11.12 H new ATOM 0 HB3 ASP A 5 0.867 4.602 -15.201 1.00 11.12 H new ATOM 69 N TYR A 6 4.569 6.138 -14.550 1.00 20.44 N ATOM 70 CA TYR A 6 5.324 7.232 -15.204 1.00 71.33 C ATOM 71 C TYR A 6 4.737 7.514 -16.509 1.00 15.10 C ATOM 72 O TYR A 6 4.352 8.610 -16.843 1.00 13.13 O ATOM 73 CB TYR A 6 6.670 6.668 -15.475 1.00 1.45 C ATOM 74 CG TYR A 6 7.384 6.566 -14.202 1.00 41.35 C ATOM 75 CD1 TYR A 6 7.279 7.537 -13.214 1.00 71.14 C ATOM 76 CD2 TYR A 6 8.154 5.481 -14.024 1.00 74.50 C ATOM 77 CE1 TYR A 6 7.968 7.379 -12.038 1.00 14.14 C ATOM 78 CE2 TYR A 6 8.845 5.291 -12.863 1.00 54.34 C ATOM 79 CZ TYR A 6 8.763 6.243 -11.841 1.00 74.00 C ATOM 80 OH TYR A 6 9.460 6.071 -10.664 1.00 13.43 O ATOM 0 H TYR A 6 5.147 5.444 -14.075 1.00 20.44 H new ATOM 0 HA TYR A 6 5.329 8.130 -14.587 1.00 71.33 H new ATOM 0 HB2 TYR A 6 6.585 5.687 -15.943 1.00 1.45 H new ATOM 0 HB3 TYR A 6 7.218 7.306 -16.169 1.00 1.45 H new ATOM 0 HD1 TYR A 6 6.661 8.408 -13.370 1.00 71.14 H new ATOM 0 HD2 TYR A 6 8.228 4.747 -14.812 1.00 74.50 H new ATOM 0 HE1 TYR A 6 7.897 8.130 -11.265 1.00 14.14 H new ATOM 0 HE2 TYR A 6 9.454 4.408 -12.733 1.00 54.34 H new ATOM 0 HH TYR A 6 9.958 5.228 -10.699 1.00 13.43 H new ATOM 90 N TYR A 7 4.699 6.504 -17.273 1.00 74.43 N ATOM 91 CA TYR A 7 4.175 6.659 -18.593 1.00 51.53 C ATOM 92 C TYR A 7 2.916 7.426 -18.540 1.00 31.32 C ATOM 93 O TYR A 7 2.569 8.206 -19.403 1.00 32.25 O ATOM 94 CB TYR A 7 3.935 5.252 -19.082 1.00 3.41 C ATOM 95 CG TYR A 7 5.247 4.601 -19.272 1.00 23.40 C ATOM 96 CD1 TYR A 7 6.341 5.368 -19.646 1.00 54.31 C ATOM 97 CD2 TYR A 7 5.358 3.237 -19.123 1.00 33.31 C ATOM 98 CE1 TYR A 7 7.561 4.779 -19.866 1.00 43.10 C ATOM 99 CE2 TYR A 7 6.583 2.622 -19.361 1.00 70.03 C ATOM 100 CZ TYR A 7 7.692 3.393 -19.734 1.00 41.33 C ATOM 101 OH TYR A 7 8.900 2.787 -19.973 1.00 11.31 O ATOM 0 H TYR A 7 5.015 5.566 -17.029 1.00 74.43 H new ATOM 0 HA TYR A 7 4.848 7.202 -19.256 1.00 51.53 H new ATOM 0 HB2 TYR A 7 3.335 4.696 -18.361 1.00 3.41 H new ATOM 0 HB3 TYR A 7 3.377 5.265 -20.019 1.00 3.41 H new ATOM 0 HD1 TYR A 7 6.232 6.436 -19.765 1.00 54.31 H new ATOM 0 HD2 TYR A 7 4.502 2.650 -18.824 1.00 33.31 H new ATOM 0 HE1 TYR A 7 8.414 5.382 -20.139 1.00 43.10 H new ATOM 0 HE2 TYR A 7 6.679 1.551 -19.258 1.00 70.03 H new ATOM 0 HH TYR A 7 8.767 1.821 -20.075 1.00 11.31 H new ATOM 111 N ALA A 8 2.259 7.221 -17.503 1.00 51.14 N ATOM 112 CA ALA A 8 1.028 7.928 -17.303 1.00 71.32 C ATOM 113 C ALA A 8 1.395 9.321 -16.857 1.00 71.33 C ATOM 114 O ALA A 8 1.012 10.321 -17.430 1.00 32.31 O ATOM 115 CB ALA A 8 0.416 7.155 -16.157 1.00 12.10 C ATOM 0 H ALA A 8 2.523 6.576 -16.758 1.00 51.14 H new ATOM 0 HA ALA A 8 0.369 8.004 -18.168 1.00 71.32 H new ATOM 0 HB1 ALA A 8 -0.547 7.594 -15.895 1.00 12.10 H new ATOM 0 HB2 ALA A 8 0.272 6.116 -16.455 1.00 12.10 H new ATOM 0 HB3 ALA A 8 1.081 7.196 -15.294 1.00 12.10 H new ATOM 121 N ILE A 9 2.194 9.353 -15.841 1.00 1.32 N ATOM 122 CA ILE A 9 2.695 10.623 -15.305 1.00 70.25 C ATOM 123 C ILE A 9 3.106 11.508 -16.459 1.00 20.32 C ATOM 124 O ILE A 9 2.698 12.644 -16.600 1.00 13.33 O ATOM 125 CB ILE A 9 3.937 10.193 -14.545 1.00 45.24 C ATOM 126 CG1 ILE A 9 3.577 9.937 -13.112 1.00 64.42 C ATOM 127 CG2 ILE A 9 5.007 11.250 -14.617 1.00 11.54 C ATOM 128 CD1 ILE A 9 4.078 8.555 -12.792 1.00 54.54 C ATOM 0 H ILE A 9 2.527 8.524 -15.349 1.00 1.32 H new ATOM 0 HA ILE A 9 1.972 11.167 -14.698 1.00 70.25 H new ATOM 0 HB ILE A 9 4.326 9.282 -15.000 1.00 45.24 H new ATOM 0 HG12 ILE A 9 4.036 10.678 -12.457 1.00 64.42 H new ATOM 0 HG13 ILE A 9 2.499 10.004 -12.964 1.00 64.42 H new ATOM 0 HG21 ILE A 9 5.885 10.917 -14.065 1.00 11.54 H new ATOM 0 HG22 ILE A 9 5.278 11.423 -15.659 1.00 11.54 H new ATOM 0 HG23 ILE A 9 4.634 12.176 -14.180 1.00 11.54 H new ATOM 0 HD11 ILE A 9 3.842 8.313 -11.756 1.00 54.54 H new ATOM 0 HD12 ILE A 9 3.598 7.832 -13.451 1.00 54.54 H new ATOM 0 HD13 ILE A 9 5.158 8.517 -12.937 1.00 54.54 H new ATOM 140 N MET A 10 3.966 10.962 -17.255 1.00 53.40 N ATOM 141 CA MET A 10 4.512 11.687 -18.399 1.00 0.11 C ATOM 142 C MET A 10 3.578 11.624 -19.603 1.00 24.22 C ATOM 143 O MET A 10 3.957 11.896 -20.723 1.00 33.51 O ATOM 144 CB MET A 10 5.843 11.031 -18.607 1.00 13.52 C ATOM 145 CG MET A 10 5.709 9.628 -19.156 1.00 63.44 C ATOM 146 SD MET A 10 7.097 9.335 -20.260 1.00 53.44 S ATOM 147 CE MET A 10 8.410 10.156 -19.306 1.00 54.34 C ATOM 0 H MET A 10 4.319 10.011 -17.149 1.00 53.40 H new ATOM 0 HA MET A 10 4.620 12.760 -18.240 1.00 0.11 H new ATOM 0 HB2 MET A 10 6.439 11.632 -19.293 1.00 13.52 H new ATOM 0 HB3 MET A 10 6.382 10.999 -17.660 1.00 13.52 H new ATOM 0 HG2 MET A 10 5.705 8.899 -18.345 1.00 63.44 H new ATOM 0 HG3 MET A 10 4.766 9.515 -19.690 1.00 63.44 H new ATOM 0 HE1 MET A 10 9.067 10.700 -19.985 1.00 54.34 H new ATOM 0 HE2 MET A 10 7.963 10.853 -18.597 1.00 54.34 H new ATOM 0 HE3 MET A 10 8.988 9.408 -18.764 1.00 54.34 H new ATOM 157 N GLY A 11 2.348 11.284 -19.354 1.00 3.43 N ATOM 158 CA GLY A 11 1.336 11.223 -20.453 1.00 71.45 C ATOM 159 C GLY A 11 1.971 10.503 -21.614 1.00 20.23 C ATOM 160 O GLY A 11 2.491 11.102 -22.535 1.00 73.44 O ATOM 0 H GLY A 11 1.992 11.043 -18.429 1.00 3.43 H new ATOM 0 HA2 GLY A 11 0.440 10.699 -20.120 1.00 71.45 H new ATOM 0 HA3 GLY A 11 1.028 12.226 -20.746 1.00 71.45 H new ATOM 164 N VAL A 12 2.014 9.222 -21.526 1.00 1.43 N ATOM 165 CA VAL A 12 2.696 8.443 -22.547 1.00 24.42 C ATOM 166 C VAL A 12 2.050 7.084 -22.713 1.00 61.22 C ATOM 167 O VAL A 12 0.891 6.859 -22.429 1.00 33.34 O ATOM 168 CB VAL A 12 4.069 8.335 -21.908 1.00 2.34 C ATOM 169 CG1 VAL A 12 4.285 7.054 -21.191 1.00 42.04 C ATOM 170 CG2 VAL A 12 5.166 8.449 -22.851 1.00 73.33 C ATOM 0 H VAL A 12 1.595 8.677 -20.773 1.00 1.43 H new ATOM 0 HA VAL A 12 2.688 8.871 -23.549 1.00 24.42 H new ATOM 0 HB VAL A 12 4.072 9.176 -21.215 1.00 2.34 H new ATOM 0 HG11 VAL A 12 5.285 7.043 -20.759 1.00 42.04 H new ATOM 0 HG12 VAL A 12 3.545 6.952 -20.397 1.00 42.04 H new ATOM 0 HG13 VAL A 12 4.183 6.224 -21.890 1.00 42.04 H new ATOM 0 HG21 VAL A 12 6.113 8.362 -22.319 1.00 73.33 H new ATOM 0 HG22 VAL A 12 5.092 7.654 -23.593 1.00 73.33 H new ATOM 0 HG23 VAL A 12 5.118 9.417 -23.350 1.00 73.33 H new ATOM 180 N LYS A 13 2.838 6.199 -23.182 1.00 53.34 N ATOM 181 CA LYS A 13 2.401 4.811 -23.421 1.00 52.43 C ATOM 182 C LYS A 13 3.019 3.900 -22.359 1.00 34.33 C ATOM 183 O LYS A 13 4.169 4.063 -22.004 1.00 65.25 O ATOM 184 CB LYS A 13 3.000 4.535 -24.780 1.00 54.13 C ATOM 185 CG LYS A 13 1.986 4.845 -25.884 1.00 64.14 C ATOM 186 CD LYS A 13 1.641 6.330 -25.850 1.00 13.24 C ATOM 187 CE LYS A 13 2.112 7.013 -27.133 1.00 1.40 C ATOM 188 NZ LYS A 13 0.866 7.284 -27.902 1.00 5.35 N ATOM 0 H LYS A 13 3.813 6.379 -23.424 1.00 53.34 H new ATOM 0 HA LYS A 13 1.324 4.651 -23.378 1.00 52.43 H new ATOM 0 HB2 LYS A 13 3.895 5.141 -24.919 1.00 54.13 H new ATOM 0 HB3 LYS A 13 3.308 3.491 -24.843 1.00 54.13 H new ATOM 0 HG2 LYS A 13 2.398 4.578 -26.857 1.00 64.14 H new ATOM 0 HG3 LYS A 13 1.085 4.247 -25.744 1.00 64.14 H new ATOM 0 HD2 LYS A 13 0.565 6.458 -25.736 1.00 13.24 H new ATOM 0 HD3 LYS A 13 2.111 6.800 -24.986 1.00 13.24 H new ATOM 0 HE2 LYS A 13 2.650 7.935 -26.915 1.00 1.40 H new ATOM 0 HE3 LYS A 13 2.792 6.373 -27.695 1.00 1.40 H new ATOM 0 HZ1 LYS A 13 1.106 7.753 -28.798 1.00 5.35 H new ATOM 0 HZ2 LYS A 13 0.379 6.387 -28.101 1.00 5.35 H new ATOM 0 HZ3 LYS A 13 0.242 7.901 -27.345 1.00 5.35 H new ATOM 202 N PRO A 14 2.243 2.974 -21.880 1.00 42.13 N ATOM 203 CA PRO A 14 2.745 2.044 -20.845 1.00 24.43 C ATOM 204 C PRO A 14 3.725 1.045 -21.459 1.00 43.24 C ATOM 205 O PRO A 14 4.371 0.283 -20.766 1.00 4.24 O ATOM 206 CB PRO A 14 1.489 1.345 -20.352 1.00 63.00 C ATOM 207 CG PRO A 14 0.519 1.440 -21.488 1.00 5.22 C ATOM 208 CD PRO A 14 0.850 2.700 -22.247 1.00 42.22 C ATOM 0 HA PRO A 14 3.287 2.545 -20.043 1.00 24.43 H new ATOM 0 HB2 PRO A 14 1.692 0.306 -20.093 1.00 63.00 H new ATOM 0 HB3 PRO A 14 1.096 1.826 -19.456 1.00 63.00 H new ATOM 0 HG2 PRO A 14 0.598 0.567 -22.136 1.00 5.22 H new ATOM 0 HG3 PRO A 14 -0.506 1.471 -21.118 1.00 5.22 H new ATOM 0 HD2 PRO A 14 0.740 2.560 -23.322 1.00 42.22 H new ATOM 0 HD3 PRO A 14 0.193 3.522 -21.964 1.00 42.22 H new ATOM 216 N THR A 15 3.835 1.044 -22.755 1.00 50.21 N ATOM 217 CA THR A 15 4.768 0.098 -23.432 1.00 51.43 C ATOM 218 C THR A 15 5.343 0.773 -24.684 1.00 14.02 C ATOM 219 O THR A 15 5.281 0.259 -25.783 1.00 24.41 O ATOM 220 CB THR A 15 3.927 -1.156 -23.777 1.00 62.22 C ATOM 221 OG1 THR A 15 4.258 -1.621 -25.077 1.00 70.53 O ATOM 222 CG2 THR A 15 2.426 -0.842 -23.720 1.00 32.05 C ATOM 0 H THR A 15 3.317 1.661 -23.381 1.00 50.21 H new ATOM 0 HA THR A 15 5.616 -0.185 -22.808 1.00 51.43 H new ATOM 0 HB THR A 15 4.154 -1.927 -23.041 1.00 62.22 H new ATOM 0 HG1 THR A 15 4.149 -0.892 -25.723 1.00 70.53 H new ATOM 0 HG21 THR A 15 1.857 -1.739 -23.966 1.00 32.05 H new ATOM 0 HG22 THR A 15 2.162 -0.509 -22.716 1.00 32.05 H new ATOM 0 HG23 THR A 15 2.191 -0.055 -24.437 1.00 32.05 H new ATOM 230 N ASP A 16 5.906 1.939 -24.512 1.00 13.32 N ATOM 231 CA ASP A 16 6.490 2.673 -25.670 1.00 20.23 C ATOM 232 C ASP A 16 8.015 2.725 -25.559 1.00 64.23 C ATOM 233 O ASP A 16 8.626 1.933 -24.870 1.00 12.13 O ATOM 234 CB ASP A 16 5.901 4.069 -25.579 1.00 52.25 C ATOM 235 CG ASP A 16 5.058 4.337 -26.834 1.00 65.35 C ATOM 236 OD1 ASP A 16 5.133 3.545 -27.758 1.00 43.14 O ATOM 237 OD2 ASP A 16 4.356 5.327 -26.854 1.00 71.12 O ATOM 0 H ASP A 16 5.986 2.416 -23.614 1.00 13.32 H new ATOM 0 HA ASP A 16 6.263 2.191 -26.621 1.00 20.23 H new ATOM 0 HB2 ASP A 16 5.285 4.160 -24.685 1.00 52.25 H new ATOM 0 HB3 ASP A 16 6.697 4.809 -25.495 1.00 52.25 H new ATOM 242 N ASP A 17 8.631 3.661 -26.225 1.00 41.44 N ATOM 243 CA ASP A 17 10.116 3.783 -26.156 1.00 72.42 C ATOM 244 C ASP A 17 10.476 5.169 -25.632 1.00 3.41 C ATOM 245 O ASP A 17 9.609 5.990 -25.406 1.00 42.20 O ATOM 246 CB ASP A 17 10.602 3.610 -27.595 1.00 45.24 C ATOM 247 CG ASP A 17 12.127 3.707 -27.635 1.00 71.01 C ATOM 248 OD1 ASP A 17 12.744 3.457 -26.612 1.00 52.22 O ATOM 249 OD2 ASP A 17 12.654 4.029 -28.687 1.00 52.41 O ATOM 0 H ASP A 17 8.169 4.351 -26.817 1.00 41.44 H new ATOM 0 HA ASP A 17 10.571 3.047 -25.493 1.00 72.42 H new ATOM 0 HB2 ASP A 17 10.278 2.645 -27.986 1.00 45.24 H new ATOM 0 HB3 ASP A 17 10.162 4.376 -28.233 1.00 45.24 H new ATOM 254 N LEU A 18 11.730 5.453 -25.424 1.00 41.20 N ATOM 255 CA LEU A 18 12.071 6.796 -24.910 1.00 5.12 C ATOM 256 C LEU A 18 11.540 7.864 -25.865 1.00 4.22 C ATOM 257 O LEU A 18 11.215 8.962 -25.458 1.00 51.24 O ATOM 258 CB LEU A 18 13.602 6.850 -24.818 1.00 72.03 C ATOM 259 CG LEU A 18 14.088 7.248 -23.402 1.00 74.51 C ATOM 260 CD1 LEU A 18 15.079 8.408 -23.520 1.00 23.22 C ATOM 261 CD2 LEU A 18 12.944 7.725 -22.520 1.00 23.44 C ATOM 0 H LEU A 18 12.516 4.824 -25.585 1.00 41.20 H new ATOM 0 HA LEU A 18 11.623 6.983 -23.934 1.00 5.12 H new ATOM 0 HB2 LEU A 18 14.015 5.876 -25.082 1.00 72.03 H new ATOM 0 HB3 LEU A 18 13.983 7.566 -25.546 1.00 72.03 H new ATOM 0 HG LEU A 18 14.542 6.363 -22.955 1.00 74.51 H new ATOM 0 HD11 LEU A 18 15.425 8.693 -22.527 1.00 23.22 H new ATOM 0 HD12 LEU A 18 15.931 8.099 -24.126 1.00 23.22 H new ATOM 0 HD13 LEU A 18 14.588 9.259 -23.992 1.00 23.22 H new ATOM 0 HD21 LEU A 18 13.330 7.994 -21.537 1.00 23.44 H new ATOM 0 HD22 LEU A 18 12.473 8.596 -22.975 1.00 23.44 H new ATOM 0 HD23 LEU A 18 12.208 6.928 -22.415 1.00 23.44 H new ATOM 273 N LYS A 19 11.431 7.556 -27.129 1.00 1.25 N ATOM 274 CA LYS A 19 10.900 8.572 -28.077 1.00 35.15 C ATOM 275 C LYS A 19 9.515 8.985 -27.591 1.00 32.33 C ATOM 276 O LYS A 19 9.209 10.158 -27.466 1.00 75.00 O ATOM 277 CB LYS A 19 10.813 7.858 -29.427 1.00 54.01 C ATOM 278 CG LYS A 19 10.003 8.710 -30.407 1.00 65.25 C ATOM 279 CD LYS A 19 10.306 8.267 -31.840 1.00 32.35 C ATOM 280 CE LYS A 19 9.087 8.533 -32.726 1.00 33.44 C ATOM 281 NZ LYS A 19 9.487 9.675 -33.594 1.00 20.03 N ATOM 0 H LYS A 19 11.683 6.657 -27.540 1.00 1.25 H new ATOM 0 HA LYS A 19 11.519 9.466 -28.152 1.00 35.15 H new ATOM 0 HB2 LYS A 19 11.814 7.683 -29.822 1.00 54.01 H new ATOM 0 HB3 LYS A 19 10.344 6.882 -29.304 1.00 54.01 H new ATOM 0 HG2 LYS A 19 8.938 8.607 -30.201 1.00 65.25 H new ATOM 0 HG3 LYS A 19 10.251 9.764 -30.281 1.00 65.25 H new ATOM 0 HD2 LYS A 19 11.172 8.807 -32.223 1.00 32.35 H new ATOM 0 HD3 LYS A 19 10.558 7.207 -31.858 1.00 32.35 H new ATOM 0 HE2 LYS A 19 8.831 7.656 -33.320 1.00 33.44 H new ATOM 0 HE3 LYS A 19 8.210 8.780 -32.128 1.00 33.44 H new ATOM 0 HZ1 LYS A 19 8.702 9.918 -34.232 1.00 20.03 H new ATOM 0 HZ2 LYS A 19 9.718 10.497 -33.001 1.00 20.03 H new ATOM 0 HZ3 LYS A 19 10.320 9.408 -34.156 1.00 20.03 H new ATOM 295 N THR A 20 8.693 8.028 -27.253 1.00 23.53 N ATOM 296 CA THR A 20 7.355 8.373 -26.713 1.00 5.14 C ATOM 297 C THR A 20 7.557 9.029 -25.376 1.00 42.33 C ATOM 298 O THR A 20 7.051 10.096 -25.094 1.00 51.00 O ATOM 299 CB THR A 20 6.625 7.050 -26.463 1.00 64.03 C ATOM 300 OG1 THR A 20 6.154 6.516 -27.692 1.00 60.12 O ATOM 301 CG2 THR A 20 5.452 7.280 -25.499 1.00 64.22 C ATOM 0 H THR A 20 8.892 7.030 -27.328 1.00 23.53 H new ATOM 0 HA THR A 20 6.803 9.023 -27.392 1.00 5.14 H new ATOM 0 HB THR A 20 7.317 6.337 -26.015 1.00 64.03 H new ATOM 0 HG1 THR A 20 5.174 6.522 -27.697 1.00 60.12 H new ATOM 0 HG21 THR A 20 4.935 6.337 -25.323 1.00 64.22 H new ATOM 0 HG22 THR A 20 5.829 7.669 -24.553 1.00 64.22 H new ATOM 0 HG23 THR A 20 4.758 7.998 -25.935 1.00 64.22 H new ATOM 309 N ILE A 21 8.249 8.343 -24.525 1.00 23.51 N ATOM 310 CA ILE A 21 8.441 8.857 -23.178 1.00 52.23 C ATOM 311 C ILE A 21 8.930 10.294 -23.192 1.00 72.33 C ATOM 312 O ILE A 21 8.283 11.146 -22.640 1.00 75.33 O ATOM 313 CB ILE A 21 9.455 7.957 -22.569 1.00 44.35 C ATOM 314 CG1 ILE A 21 8.850 6.570 -22.416 1.00 21.25 C ATOM 315 CG2 ILE A 21 9.823 8.514 -21.205 1.00 64.32 C ATOM 316 CD1 ILE A 21 9.942 5.633 -21.955 1.00 24.42 C ATOM 0 H ILE A 21 8.688 7.443 -24.717 1.00 23.51 H new ATOM 0 HA ILE A 21 7.507 8.870 -22.616 1.00 52.23 H new ATOM 0 HB ILE A 21 10.345 7.893 -23.195 1.00 44.35 H new ATOM 0 HG12 ILE A 21 8.033 6.588 -21.694 1.00 21.25 H new ATOM 0 HG13 ILE A 21 8.431 6.230 -23.363 1.00 21.25 H new ATOM 0 HG21 ILE A 21 10.567 7.869 -20.737 1.00 64.32 H new ATOM 0 HG22 ILE A 21 10.233 9.517 -21.320 1.00 64.32 H new ATOM 0 HG23 ILE A 21 8.933 8.556 -20.577 1.00 64.32 H new ATOM 0 HD11 ILE A 21 9.534 4.629 -21.837 1.00 24.42 H new ATOM 0 HD12 ILE A 21 10.742 5.615 -22.695 1.00 24.42 H new ATOM 0 HD13 ILE A 21 10.338 5.978 -21.000 1.00 24.42 H new ATOM 328 N LYS A 22 10.047 10.612 -23.800 1.00 14.15 N ATOM 329 CA LYS A 22 10.430 12.043 -23.750 1.00 75.04 C ATOM 330 C LYS A 22 9.401 12.846 -24.488 1.00 71.53 C ATOM 331 O LYS A 22 9.035 13.904 -24.057 1.00 30.24 O ATOM 332 CB LYS A 22 11.793 12.248 -24.368 1.00 25.52 C ATOM 333 CG LYS A 22 12.350 13.527 -23.740 1.00 64.31 C ATOM 334 CD LYS A 22 13.866 13.498 -23.658 1.00 65.43 C ATOM 335 CE LYS A 22 14.316 14.116 -22.340 1.00 21.53 C ATOM 336 NZ LYS A 22 14.350 15.586 -22.580 1.00 34.52 N ATOM 0 H LYS A 22 10.673 9.980 -24.299 1.00 14.15 H new ATOM 0 HA LYS A 22 10.477 12.370 -22.711 1.00 75.04 H new ATOM 0 HB2 LYS A 22 12.445 11.398 -24.167 1.00 25.52 H new ATOM 0 HB3 LYS A 22 11.720 12.344 -25.451 1.00 25.52 H new ATOM 0 HG2 LYS A 22 12.034 14.389 -24.328 1.00 64.31 H new ATOM 0 HG3 LYS A 22 11.934 13.653 -22.740 1.00 64.31 H new ATOM 0 HD2 LYS A 22 14.225 12.472 -23.732 1.00 65.43 H new ATOM 0 HD3 LYS A 22 14.297 14.047 -24.495 1.00 65.43 H new ATOM 0 HE2 LYS A 22 13.626 13.866 -21.534 1.00 21.53 H new ATOM 0 HE3 LYS A 22 15.298 13.744 -22.047 1.00 21.53 H new ATOM 0 HZ1 LYS A 22 14.870 16.052 -21.809 1.00 34.52 H new ATOM 0 HZ2 LYS A 22 14.826 15.779 -23.484 1.00 34.52 H new ATOM 0 HZ3 LYS A 22 13.378 15.955 -22.615 1.00 34.52 H new ATOM 350 N THR A 23 8.859 12.360 -25.568 1.00 11.40 N ATOM 351 CA THR A 23 7.801 13.165 -26.186 1.00 72.51 C ATOM 352 C THR A 23 6.827 13.444 -25.056 1.00 44.14 C ATOM 353 O THR A 23 6.408 14.553 -24.848 1.00 33.51 O ATOM 354 CB THR A 23 7.150 12.292 -27.251 1.00 72.20 C ATOM 355 OG1 THR A 23 7.651 12.640 -28.538 1.00 51.33 O ATOM 356 CG2 THR A 23 5.650 12.538 -27.194 1.00 1.23 C ATOM 0 H THR A 23 9.096 11.479 -26.025 1.00 11.40 H new ATOM 0 HA THR A 23 8.144 14.091 -26.647 1.00 72.51 H new ATOM 0 HB THR A 23 7.372 11.240 -27.072 1.00 72.20 H new ATOM 0 HG1 THR A 23 7.229 12.073 -29.217 1.00 51.33 H new ATOM 0 HG21 THR A 23 5.152 11.926 -27.946 1.00 1.23 H new ATOM 0 HG22 THR A 23 5.275 12.274 -26.205 1.00 1.23 H new ATOM 0 HG23 THR A 23 5.446 13.591 -27.390 1.00 1.23 H new ATOM 364 N ALA A 24 6.526 12.403 -24.311 1.00 64.23 N ATOM 365 CA ALA A 24 5.617 12.523 -23.147 1.00 25.51 C ATOM 366 C ALA A 24 6.223 13.423 -22.085 1.00 34.12 C ATOM 367 O ALA A 24 5.668 14.429 -21.746 1.00 72.40 O ATOM 368 CB ALA A 24 5.550 11.114 -22.581 1.00 25.41 C ATOM 0 H ALA A 24 6.885 11.462 -24.473 1.00 64.23 H new ATOM 0 HA ALA A 24 4.650 12.937 -23.433 1.00 25.51 H new ATOM 0 HB1 ALA A 24 4.895 11.103 -21.710 1.00 25.41 H new ATOM 0 HB2 ALA A 24 5.157 10.436 -23.339 1.00 25.41 H new ATOM 0 HB3 ALA A 24 6.549 10.792 -22.288 1.00 25.41 H new ATOM 374 N TYR A 25 7.364 13.037 -21.561 1.00 55.25 N ATOM 375 CA TYR A 25 8.039 13.819 -20.481 1.00 21.40 C ATOM 376 C TYR A 25 8.549 15.156 -20.963 1.00 25.52 C ATOM 377 O TYR A 25 8.685 16.078 -20.206 1.00 31.01 O ATOM 378 CB TYR A 25 9.238 12.956 -20.034 1.00 41.15 C ATOM 379 CG TYR A 25 10.401 13.841 -19.611 1.00 31.34 C ATOM 380 CD1 TYR A 25 11.189 14.473 -20.574 1.00 10.10 C ATOM 381 CD2 TYR A 25 10.649 14.060 -18.258 1.00 15.11 C ATOM 382 CE1 TYR A 25 12.235 15.321 -20.170 1.00 23.33 C ATOM 383 CE2 TYR A 25 11.682 14.907 -17.849 1.00 0.51 C ATOM 384 CZ TYR A 25 12.478 15.538 -18.807 1.00 55.00 C ATOM 385 OH TYR A 25 13.502 16.377 -18.411 1.00 60.20 O ATOM 0 H TYR A 25 7.864 12.194 -21.845 1.00 55.25 H new ATOM 0 HA TYR A 25 7.332 14.029 -19.679 1.00 21.40 H new ATOM 0 HB2 TYR A 25 8.942 12.313 -19.205 1.00 41.15 H new ATOM 0 HB3 TYR A 25 9.548 12.303 -20.850 1.00 41.15 H new ATOM 0 HD1 TYR A 25 10.996 14.311 -21.624 1.00 10.10 H new ATOM 0 HD2 TYR A 25 10.036 13.569 -17.517 1.00 15.11 H new ATOM 0 HE1 TYR A 25 12.852 15.806 -20.911 1.00 23.33 H new ATOM 0 HE2 TYR A 25 11.864 15.073 -16.797 1.00 0.51 H new ATOM 0 HH TYR A 25 13.532 16.417 -17.432 1.00 60.20 H new ATOM 395 N ARG A 26 8.881 15.260 -22.184 1.00 64.45 N ATOM 396 CA ARG A 26 9.432 16.546 -22.654 1.00 5.44 C ATOM 397 C ARG A 26 8.284 17.493 -22.843 1.00 42.24 C ATOM 398 O ARG A 26 8.306 18.611 -22.379 1.00 32.25 O ATOM 399 CB ARG A 26 10.164 16.240 -23.949 1.00 32.44 C ATOM 400 CG ARG A 26 11.384 17.141 -24.055 1.00 22.03 C ATOM 401 CD ARG A 26 11.185 18.120 -25.206 1.00 33.34 C ATOM 402 NE ARG A 26 12.023 17.584 -26.314 1.00 72.11 N ATOM 403 CZ ARG A 26 11.478 16.844 -27.240 1.00 54.45 C ATOM 404 NH1 ARG A 26 11.180 15.599 -26.987 1.00 72.12 N ATOM 405 NH2 ARG A 26 11.232 17.347 -28.418 1.00 52.41 N ATOM 0 H ARG A 26 8.802 14.525 -22.886 1.00 64.45 H new ATOM 0 HA ARG A 26 10.126 17.013 -21.956 1.00 5.44 H new ATOM 0 HB2 ARG A 26 10.466 15.193 -23.972 1.00 32.44 H new ATOM 0 HB3 ARG A 26 9.503 16.400 -24.801 1.00 32.44 H new ATOM 0 HG2 ARG A 26 11.532 17.684 -23.122 1.00 22.03 H new ATOM 0 HG3 ARG A 26 12.280 16.543 -24.221 1.00 22.03 H new ATOM 0 HD2 ARG A 26 10.136 18.180 -25.497 1.00 33.34 H new ATOM 0 HD3 ARG A 26 11.496 19.127 -24.927 1.00 33.34 H new ATOM 0 HE ARG A 26 13.020 17.795 -26.349 1.00 72.11 H new ATOM 0 HH11 ARG A 26 11.373 15.205 -26.066 1.00 72.12 H new ATOM 0 HH12 ARG A 26 10.754 15.020 -27.710 1.00 72.12 H new ATOM 0 HH21 ARG A 26 11.466 18.320 -28.616 1.00 52.41 H new ATOM 0 HH22 ARG A 26 10.806 16.767 -29.141 1.00 52.41 H new ATOM 419 N ARG A 27 7.238 17.022 -23.436 1.00 74.31 N ATOM 420 CA ARG A 27 6.051 17.883 -23.557 1.00 43.51 C ATOM 421 C ARG A 27 5.510 17.993 -22.146 1.00 42.33 C ATOM 422 O ARG A 27 5.126 19.050 -21.696 1.00 13.21 O ATOM 423 CB ARG A 27 5.080 17.173 -24.513 1.00 23.53 C ATOM 424 CG ARG A 27 4.506 15.902 -23.882 1.00 70.21 C ATOM 425 CD ARG A 27 3.646 15.175 -24.906 1.00 15.24 C ATOM 426 NE ARG A 27 2.365 15.934 -24.943 1.00 44.34 N ATOM 427 CZ ARG A 27 1.638 15.939 -26.026 1.00 64.14 C ATOM 428 NH1 ARG A 27 0.825 14.947 -26.274 1.00 65.35 N ATOM 429 NH2 ARG A 27 1.722 16.938 -26.861 1.00 51.21 N ATOM 0 H ARG A 27 7.154 16.088 -23.838 1.00 74.31 H new ATOM 0 HA ARG A 27 6.237 18.880 -23.957 1.00 43.51 H new ATOM 0 HB2 ARG A 27 4.267 17.849 -24.777 1.00 23.53 H new ATOM 0 HB3 ARG A 27 5.598 16.920 -25.438 1.00 23.53 H new ATOM 0 HG2 ARG A 27 5.314 15.254 -23.543 1.00 70.21 H new ATOM 0 HG3 ARG A 27 3.911 16.155 -23.004 1.00 70.21 H new ATOM 0 HD2 ARG A 27 4.125 15.161 -25.885 1.00 15.24 H new ATOM 0 HD3 ARG A 27 3.481 14.137 -24.617 1.00 15.24 H new ATOM 0 HE ARG A 27 2.056 16.451 -24.120 1.00 44.34 H new ATOM 0 HH11 ARG A 27 0.758 14.167 -25.620 1.00 65.35 H new ATOM 0 HH12 ARG A 27 0.257 14.953 -27.121 1.00 65.35 H new ATOM 0 HH21 ARG A 27 2.355 17.713 -26.666 1.00 51.21 H new ATOM 0 HH22 ARG A 27 1.154 16.944 -27.708 1.00 51.21 H new ATOM 443 N LEU A 28 5.562 16.892 -21.430 1.00 3.02 N ATOM 444 CA LEU A 28 5.126 16.881 -20.005 1.00 32.23 C ATOM 445 C LEU A 28 5.970 17.815 -19.211 1.00 5.41 C ATOM 446 O LEU A 28 5.558 18.866 -18.822 1.00 1.42 O ATOM 447 CB LEU A 28 5.404 15.501 -19.475 1.00 0.40 C ATOM 448 CG LEU A 28 4.096 14.775 -19.378 1.00 43.35 C ATOM 449 CD1 LEU A 28 3.227 15.465 -18.369 1.00 71.21 C ATOM 450 CD2 LEU A 28 3.393 14.817 -20.694 1.00 20.15 C ATOM 0 H LEU A 28 5.893 15.993 -21.782 1.00 3.02 H new ATOM 0 HA LEU A 28 4.076 17.165 -19.934 1.00 32.23 H new ATOM 0 HB2 LEU A 28 6.088 14.969 -20.136 1.00 0.40 H new ATOM 0 HB3 LEU A 28 5.883 15.557 -18.498 1.00 0.40 H new ATOM 0 HG LEU A 28 4.285 13.742 -19.087 1.00 43.35 H new ATOM 0 HD11 LEU A 28 2.273 14.943 -18.293 1.00 71.21 H new ATOM 0 HD12 LEU A 28 3.722 15.460 -17.398 1.00 71.21 H new ATOM 0 HD13 LEU A 28 3.053 16.494 -18.682 1.00 71.21 H new ATOM 0 HD21 LEU A 28 2.443 14.288 -20.616 1.00 20.15 H new ATOM 0 HD22 LEU A 28 3.208 15.854 -20.975 1.00 20.15 H new ATOM 0 HD23 LEU A 28 4.013 14.340 -21.453 1.00 20.15 H new ATOM 462 N ALA A 29 7.173 17.417 -18.974 1.00 74.20 N ATOM 463 CA ALA A 29 8.070 18.261 -18.189 1.00 72.11 C ATOM 464 C ALA A 29 7.969 19.680 -18.717 1.00 24.11 C ATOM 465 O ALA A 29 8.148 20.642 -18.008 1.00 51.33 O ATOM 466 CB ALA A 29 9.437 17.705 -18.473 1.00 52.11 C ATOM 0 H ALA A 29 7.572 16.535 -19.295 1.00 74.20 H new ATOM 0 HA ALA A 29 7.843 18.274 -17.123 1.00 72.11 H new ATOM 0 HB1 ALA A 29 10.184 18.278 -17.924 1.00 52.11 H new ATOM 0 HB2 ALA A 29 9.478 16.662 -18.160 1.00 52.11 H new ATOM 0 HB3 ALA A 29 9.642 17.772 -19.541 1.00 52.11 H new ATOM 472 N ARG A 30 7.649 19.806 -19.972 1.00 25.34 N ATOM 473 CA ARG A 30 7.495 21.154 -20.554 1.00 74.14 C ATOM 474 C ARG A 30 6.182 21.744 -20.056 1.00 74.41 C ATOM 475 O ARG A 30 6.096 22.903 -19.700 1.00 64.53 O ATOM 476 CB ARG A 30 7.435 20.930 -22.057 1.00 24.45 C ATOM 477 CG ARG A 30 6.844 22.163 -22.744 1.00 20.40 C ATOM 478 CD ARG A 30 7.576 22.419 -24.062 1.00 50.44 C ATOM 479 NE ARG A 30 7.760 23.896 -24.117 1.00 51.14 N ATOM 480 CZ ARG A 30 8.905 24.426 -23.785 1.00 21.42 C ATOM 481 NH1 ARG A 30 9.163 24.693 -22.534 1.00 65.53 N ATOM 482 NH2 ARG A 30 9.790 24.693 -24.705 1.00 4.33 N ATOM 0 H ARG A 30 7.489 19.031 -20.615 1.00 25.34 H new ATOM 0 HA ARG A 30 8.302 21.835 -20.284 1.00 74.14 H new ATOM 0 HB2 ARG A 30 8.434 20.731 -22.444 1.00 24.45 H new ATOM 0 HB3 ARG A 30 6.827 20.053 -22.279 1.00 24.45 H new ATOM 0 HG2 ARG A 30 5.781 22.013 -22.931 1.00 20.40 H new ATOM 0 HG3 ARG A 30 6.933 23.032 -22.092 1.00 20.40 H new ATOM 0 HD2 ARG A 30 8.534 21.900 -24.089 1.00 50.44 H new ATOM 0 HD3 ARG A 30 6.996 22.061 -24.912 1.00 50.44 H new ATOM 0 HE ARG A 30 6.989 24.494 -24.415 1.00 51.14 H new ATOM 0 HH11 ARG A 30 8.469 24.487 -21.815 1.00 65.53 H new ATOM 0 HH12 ARG A 30 10.058 25.107 -22.275 1.00 65.53 H new ATOM 0 HH21 ARG A 30 9.587 24.487 -25.683 1.00 4.33 H new ATOM 0 HH22 ARG A 30 10.685 25.107 -24.446 1.00 4.33 H new ATOM 496 N LYS A 31 5.162 20.929 -19.999 1.00 2.14 N ATOM 497 CA LYS A 31 3.857 21.404 -19.494 1.00 34.22 C ATOM 498 C LYS A 31 3.823 21.159 -17.990 1.00 43.01 C ATOM 499 O LYS A 31 2.875 21.501 -17.308 1.00 21.43 O ATOM 500 CB LYS A 31 2.826 20.519 -20.217 1.00 24.53 C ATOM 501 CG LYS A 31 3.070 19.043 -19.852 1.00 20.24 C ATOM 502 CD LYS A 31 1.775 18.235 -19.800 1.00 50.24 C ATOM 503 CE LYS A 31 1.356 17.848 -21.216 1.00 52.32 C ATOM 504 NZ LYS A 31 0.712 19.066 -21.782 1.00 73.23 N ATOM 0 H LYS A 31 5.185 19.950 -20.284 1.00 2.14 H new ATOM 0 HA LYS A 31 3.666 22.463 -19.670 1.00 34.22 H new ATOM 0 HB2 LYS A 31 1.816 20.813 -19.932 1.00 24.53 H new ATOM 0 HB3 LYS A 31 2.906 20.656 -21.295 1.00 24.53 H new ATOM 0 HG2 LYS A 31 3.744 18.597 -20.583 1.00 20.24 H new ATOM 0 HG3 LYS A 31 3.568 18.988 -18.884 1.00 20.24 H new ATOM 0 HD2 LYS A 31 1.917 17.340 -19.194 1.00 50.24 H new ATOM 0 HD3 LYS A 31 0.988 18.820 -19.324 1.00 50.24 H new ATOM 0 HE2 LYS A 31 2.217 17.545 -21.812 1.00 52.32 H new ATOM 0 HE3 LYS A 31 0.664 17.006 -21.205 1.00 52.32 H new ATOM 0 HZ1 LYS A 31 -0.091 18.787 -22.381 1.00 73.23 H new ATOM 0 HZ2 LYS A 31 0.373 19.671 -21.007 1.00 73.23 H new ATOM 0 HZ3 LYS A 31 1.404 19.591 -22.353 1.00 73.23 H new ATOM 518 N TYR A 32 4.844 20.510 -17.480 1.00 43.12 N ATOM 519 CA TYR A 32 4.889 20.157 -16.043 1.00 4.31 C ATOM 520 C TYR A 32 6.033 20.853 -15.321 1.00 33.20 C ATOM 521 O TYR A 32 6.014 20.953 -14.111 1.00 31.25 O ATOM 522 CB TYR A 32 5.161 18.657 -16.030 1.00 74.34 C ATOM 523 CG TYR A 32 3.885 17.890 -16.153 1.00 63.24 C ATOM 524 CD1 TYR A 32 2.796 18.433 -16.820 1.00 11.13 C ATOM 525 CD2 TYR A 32 3.812 16.622 -15.606 1.00 30.13 C ATOM 526 CE1 TYR A 32 1.613 17.705 -16.946 1.00 45.54 C ATOM 527 CE2 TYR A 32 2.630 15.881 -15.719 1.00 4.10 C ATOM 528 CZ TYR A 32 1.526 16.423 -16.393 1.00 63.05 C ATOM 529 OH TYR A 32 0.362 15.695 -16.510 1.00 21.34 O ATOM 0 H TYR A 32 5.657 20.209 -18.017 1.00 43.12 H new ATOM 0 HA TYR A 32 3.966 20.452 -15.543 1.00 4.31 H new ATOM 0 HB2 TYR A 32 5.829 18.396 -16.851 1.00 74.34 H new ATOM 0 HB3 TYR A 32 5.669 18.382 -15.106 1.00 74.34 H new ATOM 0 HD1 TYR A 32 2.865 19.424 -17.244 1.00 11.13 H new ATOM 0 HD2 TYR A 32 4.665 16.204 -15.093 1.00 30.13 H new ATOM 0 HE1 TYR A 32 0.768 18.129 -17.468 1.00 45.54 H new ATOM 0 HE2 TYR A 32 2.568 14.893 -15.288 1.00 4.10 H new ATOM 0 HH TYR A 32 -0.381 16.298 -16.722 1.00 21.34 H new ATOM 539 N HIS A 33 7.050 21.324 -16.010 1.00 14.24 N ATOM 540 CA HIS A 33 8.140 21.967 -15.242 1.00 2.52 C ATOM 541 C HIS A 33 7.484 23.003 -14.357 1.00 1.11 C ATOM 542 O HIS A 33 6.890 23.939 -14.832 1.00 54.15 O ATOM 543 CB HIS A 33 9.142 22.577 -16.216 1.00 34.24 C ATOM 544 CG HIS A 33 10.315 22.950 -15.374 1.00 70.51 C ATOM 545 ND1 HIS A 33 10.295 24.095 -14.615 1.00 14.03 N ATOM 546 CD2 HIS A 33 11.435 22.259 -14.995 1.00 4.42 C ATOM 547 CE1 HIS A 33 11.349 24.055 -13.791 1.00 52.05 C ATOM 548 NE2 HIS A 33 12.091 22.960 -13.986 1.00 42.14 N ATOM 0 H HIS A 33 7.162 21.290 -17.023 1.00 14.24 H new ATOM 0 HA HIS A 33 8.695 21.263 -14.623 1.00 2.52 H new ATOM 0 HB2 HIS A 33 9.423 21.865 -16.992 1.00 34.24 H new ATOM 0 HB3 HIS A 33 8.724 23.449 -16.719 1.00 34.24 H new ATOM 0 HD2 HIS A 33 11.759 21.317 -15.413 1.00 4.42 H new ATOM 0 HE1 HIS A 33 11.573 24.815 -13.057 1.00 52.05 H new ATOM 0 HE2 HIS A 33 12.949 22.696 -13.502 1.00 42.14 H new ATOM 556 N PRO A 34 7.528 22.737 -13.093 1.00 3.30 N ATOM 557 CA PRO A 34 6.804 23.576 -12.124 1.00 4.12 C ATOM 558 C PRO A 34 7.090 25.070 -12.275 1.00 43.23 C ATOM 559 O PRO A 34 6.274 25.898 -11.919 1.00 41.44 O ATOM 560 CB PRO A 34 7.185 22.984 -10.784 1.00 25.55 C ATOM 561 CG PRO A 34 8.451 22.243 -11.047 1.00 15.01 C ATOM 562 CD PRO A 34 8.289 21.678 -12.430 1.00 62.22 C ATOM 0 HA PRO A 34 5.724 23.557 -12.273 1.00 4.12 H new ATOM 0 HB2 PRO A 34 7.329 23.761 -10.034 1.00 25.55 H new ATOM 0 HB3 PRO A 34 6.407 22.319 -10.409 1.00 25.55 H new ATOM 0 HG2 PRO A 34 9.315 22.905 -10.989 1.00 15.01 H new ATOM 0 HG3 PRO A 34 8.606 21.452 -10.313 1.00 15.01 H new ATOM 0 HD2 PRO A 34 9.249 21.498 -12.914 1.00 62.22 H new ATOM 0 HD3 PRO A 34 7.752 20.729 -12.425 1.00 62.22 H new ATOM 570 N ASP A 35 8.183 25.430 -12.866 1.00 24.54 N ATOM 571 CA ASP A 35 8.435 26.881 -13.109 1.00 20.22 C ATOM 572 C ASP A 35 7.411 27.343 -14.128 1.00 73.33 C ATOM 573 O ASP A 35 7.111 28.511 -14.272 1.00 52.34 O ATOM 574 CB ASP A 35 9.801 26.951 -13.772 1.00 11.04 C ATOM 575 CG ASP A 35 10.492 28.261 -13.396 1.00 61.13 C ATOM 576 OD1 ASP A 35 11.008 28.341 -12.292 1.00 4.31 O ATOM 577 OD2 ASP A 35 10.492 29.164 -14.216 1.00 0.33 O ATOM 0 H ASP A 35 8.912 24.796 -13.192 1.00 24.54 H new ATOM 0 HA ASP A 35 8.382 27.479 -12.199 1.00 20.22 H new ATOM 0 HB2 ASP A 35 10.411 26.104 -13.458 1.00 11.04 H new ATOM 0 HB3 ASP A 35 9.694 26.883 -14.855 1.00 11.04 H new ATOM 582 N VAL A 36 6.899 26.393 -14.850 1.00 33.51 N ATOM 583 CA VAL A 36 5.911 26.658 -15.902 1.00 74.34 C ATOM 584 C VAL A 36 5.201 25.335 -16.121 1.00 15.41 C ATOM 585 O VAL A 36 5.718 24.412 -16.719 1.00 24.13 O ATOM 586 CB VAL A 36 6.778 27.037 -17.128 1.00 14.54 C ATOM 587 CG1 VAL A 36 8.264 26.856 -16.785 1.00 2.25 C ATOM 588 CG2 VAL A 36 6.471 26.115 -18.304 1.00 33.25 C ATOM 0 H VAL A 36 7.141 25.408 -14.742 1.00 33.51 H new ATOM 0 HA VAL A 36 5.175 27.434 -15.691 1.00 74.34 H new ATOM 0 HB VAL A 36 6.557 28.072 -17.389 1.00 14.54 H new ATOM 0 HG11 VAL A 36 8.872 27.123 -17.649 1.00 2.25 H new ATOM 0 HG12 VAL A 36 8.525 27.500 -15.945 1.00 2.25 H new ATOM 0 HG13 VAL A 36 8.452 25.816 -16.517 1.00 2.25 H new ATOM 0 HG21 VAL A 36 7.089 26.395 -19.157 1.00 33.25 H new ATOM 0 HG22 VAL A 36 6.686 25.084 -18.024 1.00 33.25 H new ATOM 0 HG23 VAL A 36 5.419 26.206 -18.573 1.00 33.25 H new ATOM 598 N SER A 37 4.057 25.208 -15.612 1.00 55.02 N ATOM 599 CA SER A 37 3.372 23.926 -15.773 1.00 31.23 C ATOM 600 C SER A 37 1.872 24.069 -15.604 1.00 32.33 C ATOM 601 O SER A 37 1.416 24.798 -14.747 1.00 12.43 O ATOM 602 CB SER A 37 4.007 23.102 -14.691 1.00 14.13 C ATOM 603 OG SER A 37 3.225 23.197 -13.509 1.00 14.52 O ATOM 0 H SER A 37 3.553 25.924 -15.089 1.00 55.02 H new ATOM 0 HA SER A 37 3.475 23.483 -16.763 1.00 31.23 H new ATOM 0 HB2 SER A 37 4.084 22.062 -15.008 1.00 14.13 H new ATOM 0 HB3 SER A 37 5.021 23.452 -14.499 1.00 14.13 H new ATOM 0 HG SER A 37 3.635 23.842 -12.896 1.00 14.52 H new ATOM 609 N LYS A 38 1.083 23.371 -16.362 1.00 14.40 N ATOM 610 CA LYS A 38 -0.368 23.510 -16.127 1.00 32.21 C ATOM 611 C LYS A 38 -0.975 22.182 -15.696 1.00 54.10 C ATOM 612 O LYS A 38 -1.780 21.584 -16.382 1.00 41.44 O ATOM 613 CB LYS A 38 -0.963 23.997 -17.448 1.00 12.25 C ATOM 614 CG LYS A 38 -1.982 25.103 -17.172 1.00 43.32 C ATOM 615 CD LYS A 38 -1.521 26.400 -17.841 1.00 71.31 C ATOM 616 CE LYS A 38 -2.571 27.492 -17.618 1.00 70.22 C ATOM 617 NZ LYS A 38 -2.001 28.719 -18.248 1.00 13.32 N ATOM 0 H LYS A 38 1.367 22.734 -17.106 1.00 14.40 H new ATOM 0 HA LYS A 38 -0.580 24.214 -15.322 1.00 32.21 H new ATOM 0 HB2 LYS A 38 -0.173 24.370 -18.099 1.00 12.25 H new ATOM 0 HB3 LYS A 38 -1.442 23.169 -17.971 1.00 12.25 H new ATOM 0 HG2 LYS A 38 -2.961 24.813 -17.553 1.00 43.32 H new ATOM 0 HG3 LYS A 38 -2.089 25.254 -16.098 1.00 43.32 H new ATOM 0 HD2 LYS A 38 -0.562 26.713 -17.428 1.00 71.31 H new ATOM 0 HD3 LYS A 38 -1.371 26.238 -18.908 1.00 71.31 H new ATOM 0 HE2 LYS A 38 -3.523 27.221 -18.074 1.00 70.22 H new ATOM 0 HE3 LYS A 38 -2.759 27.646 -16.555 1.00 70.22 H new ATOM 0 HZ1 LYS A 38 -2.667 29.509 -18.134 1.00 13.32 H new ATOM 0 HZ2 LYS A 38 -1.099 28.958 -17.789 1.00 13.32 H new ATOM 0 HZ3 LYS A 38 -1.839 28.546 -19.261 1.00 13.32 H new ATOM 631 N GLU A 39 -0.608 21.752 -14.528 1.00 1.32 N ATOM 632 CA GLU A 39 -1.149 20.503 -13.960 1.00 74.44 C ATOM 633 C GLU A 39 -1.447 20.771 -12.481 1.00 24.13 C ATOM 634 O GLU A 39 -0.797 21.598 -11.873 1.00 24.13 O ATOM 635 CB GLU A 39 -0.023 19.491 -14.163 1.00 74.20 C ATOM 636 CG GLU A 39 -0.414 18.134 -13.609 1.00 11.23 C ATOM 637 CD GLU A 39 -1.243 17.381 -14.655 1.00 75.02 C ATOM 638 OE1 GLU A 39 -1.280 17.836 -15.786 1.00 41.11 O ATOM 639 OE2 GLU A 39 -1.833 16.372 -14.307 1.00 52.41 O ATOM 0 H GLU A 39 0.064 22.231 -13.929 1.00 1.32 H new ATOM 0 HA GLU A 39 -2.071 20.139 -14.413 1.00 74.44 H new ATOM 0 HB2 GLU A 39 0.206 19.403 -15.225 1.00 74.20 H new ATOM 0 HB3 GLU A 39 0.883 19.843 -13.669 1.00 74.20 H new ATOM 0 HG2 GLU A 39 0.478 17.562 -13.354 1.00 11.23 H new ATOM 0 HG3 GLU A 39 -0.989 18.255 -12.691 1.00 11.23 H new ATOM 646 N PRO A 40 -2.407 20.083 -11.941 1.00 65.01 N ATOM 647 CA PRO A 40 -2.760 20.285 -10.512 1.00 70.22 C ATOM 648 C PRO A 40 -1.555 19.995 -9.619 1.00 13.42 C ATOM 649 O PRO A 40 -1.497 20.400 -8.474 1.00 2.21 O ATOM 650 CB PRO A 40 -3.903 19.299 -10.292 1.00 4.41 C ATOM 651 CG PRO A 40 -3.737 18.285 -11.375 1.00 31.23 C ATOM 652 CD PRO A 40 -3.241 19.059 -12.566 1.00 71.33 C ATOM 0 HA PRO A 40 -3.051 21.306 -10.267 1.00 70.22 H new ATOM 0 HB2 PRO A 40 -3.846 18.839 -9.306 1.00 4.41 H new ATOM 0 HB3 PRO A 40 -4.872 19.794 -10.357 1.00 4.41 H new ATOM 0 HG2 PRO A 40 -3.027 17.511 -11.084 1.00 31.23 H new ATOM 0 HG3 PRO A 40 -4.680 17.785 -11.595 1.00 31.23 H new ATOM 0 HD2 PRO A 40 -2.671 18.431 -13.251 1.00 71.33 H new ATOM 0 HD3 PRO A 40 -4.060 19.494 -13.139 1.00 71.33 H new ATOM 660 N ASP A 41 -0.587 19.313 -10.150 1.00 41.33 N ATOM 661 CA ASP A 41 0.644 19.000 -9.366 1.00 33.14 C ATOM 662 C ASP A 41 1.839 18.826 -10.315 1.00 65.05 C ATOM 663 O ASP A 41 2.678 17.978 -10.118 1.00 51.23 O ATOM 664 CB ASP A 41 0.330 17.689 -8.642 1.00 5.50 C ATOM 665 CG ASP A 41 0.490 17.888 -7.133 1.00 40.41 C ATOM 666 OD1 ASP A 41 1.616 18.052 -6.694 1.00 30.14 O ATOM 667 OD2 ASP A 41 -0.517 17.873 -6.443 1.00 43.01 O ATOM 0 H ASP A 41 -0.591 18.953 -11.104 1.00 41.33 H new ATOM 0 HA ASP A 41 0.907 19.794 -8.667 1.00 33.14 H new ATOM 0 HB2 ASP A 41 -0.686 17.369 -8.872 1.00 5.50 H new ATOM 0 HB3 ASP A 41 0.998 16.901 -8.988 1.00 5.50 H new ATOM 672 N ALA A 42 1.911 19.628 -11.344 1.00 73.24 N ATOM 673 CA ALA A 42 3.042 19.518 -12.323 1.00 4.43 C ATOM 674 C ALA A 42 4.385 19.514 -11.599 1.00 3.45 C ATOM 675 O ALA A 42 5.323 18.888 -12.035 1.00 45.33 O ATOM 676 CB ALA A 42 2.936 20.740 -13.232 1.00 3.31 C ATOM 0 H ALA A 42 1.233 20.360 -11.553 1.00 73.24 H new ATOM 0 HA ALA A 42 2.981 18.589 -12.890 1.00 4.43 H new ATOM 0 HB1 ALA A 42 3.738 20.715 -13.970 1.00 3.31 H new ATOM 0 HB2 ALA A 42 1.973 20.731 -13.742 1.00 3.31 H new ATOM 0 HB3 ALA A 42 3.022 21.647 -12.634 1.00 3.31 H new ATOM 682 N GLU A 43 4.501 20.179 -10.486 1.00 52.51 N ATOM 683 CA GLU A 43 5.804 20.128 -9.781 1.00 30.12 C ATOM 684 C GLU A 43 6.030 18.669 -9.416 1.00 41.52 C ATOM 685 O GLU A 43 7.087 18.102 -9.626 1.00 65.53 O ATOM 686 CB GLU A 43 5.652 21.010 -8.535 1.00 42.22 C ATOM 687 CG GLU A 43 4.602 20.415 -7.594 1.00 43.24 C ATOM 688 CD GLU A 43 4.424 21.329 -6.381 1.00 23.53 C ATOM 689 OE1 GLU A 43 5.414 21.606 -5.723 1.00 3.11 O ATOM 690 OE2 GLU A 43 3.302 21.735 -6.128 1.00 54.40 O ATOM 0 H GLU A 43 3.772 20.740 -10.045 1.00 52.51 H new ATOM 0 HA GLU A 43 6.650 20.485 -10.369 1.00 30.12 H new ATOM 0 HB2 GLU A 43 6.609 21.092 -8.019 1.00 42.22 H new ATOM 0 HB3 GLU A 43 5.360 22.019 -8.827 1.00 42.22 H new ATOM 0 HG2 GLU A 43 3.653 20.300 -8.118 1.00 43.24 H new ATOM 0 HG3 GLU A 43 4.910 19.421 -7.271 1.00 43.24 H new ATOM 697 N ALA A 44 4.998 18.046 -8.927 1.00 34.52 N ATOM 698 CA ALA A 44 5.075 16.612 -8.589 1.00 62.33 C ATOM 699 C ALA A 44 5.035 15.818 -9.870 1.00 73.43 C ATOM 700 O ALA A 44 5.898 15.021 -10.157 1.00 52.24 O ATOM 701 CB ALA A 44 3.798 16.347 -7.828 1.00 64.02 C ATOM 0 H ALA A 44 4.093 18.481 -8.747 1.00 34.52 H new ATOM 0 HA ALA A 44 5.973 16.350 -8.030 1.00 62.33 H new ATOM 0 HB1 ALA A 44 3.762 15.299 -7.531 1.00 64.02 H new ATOM 0 HB2 ALA A 44 3.767 16.977 -6.939 1.00 64.02 H new ATOM 0 HB3 ALA A 44 2.942 16.573 -8.464 1.00 64.02 H new ATOM 707 N ARG A 45 4.019 16.047 -10.646 1.00 41.44 N ATOM 708 CA ARG A 45 3.890 15.339 -11.909 1.00 33.13 C ATOM 709 C ARG A 45 5.175 15.496 -12.706 1.00 22.22 C ATOM 710 O ARG A 45 5.776 14.526 -13.099 1.00 71.20 O ATOM 711 CB ARG A 45 2.717 16.004 -12.595 1.00 74.23 C ATOM 712 CG ARG A 45 1.621 14.966 -12.745 1.00 73.04 C ATOM 713 CD ARG A 45 0.299 15.538 -12.260 1.00 11.21 C ATOM 714 NE ARG A 45 -0.404 14.390 -11.629 1.00 21.13 N ATOM 715 CZ ARG A 45 -1.256 14.596 -10.664 1.00 65.44 C ATOM 716 NH1 ARG A 45 -1.628 15.811 -10.366 1.00 51.40 N ATOM 717 NH2 ARG A 45 -1.737 13.585 -9.997 1.00 21.35 N ATOM 0 H ARG A 45 3.269 16.708 -10.442 1.00 41.44 H new ATOM 0 HA ARG A 45 3.725 14.268 -11.796 1.00 33.13 H new ATOM 0 HB2 ARG A 45 2.363 16.852 -12.010 1.00 74.23 H new ATOM 0 HB3 ARG A 45 3.013 16.391 -13.570 1.00 74.23 H new ATOM 0 HG2 ARG A 45 1.535 14.663 -13.788 1.00 73.04 H new ATOM 0 HG3 ARG A 45 1.873 14.073 -12.173 1.00 73.04 H new ATOM 0 HD2 ARG A 45 0.456 16.346 -11.546 1.00 11.21 H new ATOM 0 HD3 ARG A 45 -0.280 15.951 -13.086 1.00 11.21 H new ATOM 0 HE ARG A 45 -0.219 13.440 -11.951 1.00 21.13 H new ATOM 0 HH11 ARG A 45 -1.252 16.602 -10.889 1.00 51.40 H new ATOM 0 HH12 ARG A 45 -2.295 15.969 -9.611 1.00 51.40 H new ATOM 0 HH21 ARG A 45 -1.447 12.635 -10.230 1.00 21.35 H new ATOM 0 HH22 ARG A 45 -2.404 13.743 -9.241 1.00 21.35 H new ATOM 731 N PHE A 46 5.630 16.706 -12.917 1.00 74.22 N ATOM 732 CA PHE A 46 6.907 16.870 -13.662 1.00 21.22 C ATOM 733 C PHE A 46 7.928 15.988 -13.002 1.00 64.22 C ATOM 734 O PHE A 46 8.494 15.106 -13.612 1.00 3.13 O ATOM 735 CB PHE A 46 7.364 18.314 -13.487 1.00 61.01 C ATOM 736 CG PHE A 46 8.752 18.456 -14.085 1.00 53.52 C ATOM 737 CD1 PHE A 46 9.870 17.969 -13.395 1.00 63.14 C ATOM 738 CD2 PHE A 46 8.922 19.087 -15.319 1.00 22.43 C ATOM 739 CE1 PHE A 46 11.151 18.114 -13.940 1.00 62.02 C ATOM 740 CE2 PHE A 46 10.203 19.238 -15.861 1.00 63.11 C ATOM 741 CZ PHE A 46 11.317 18.751 -15.172 1.00 65.21 C ATOM 0 H PHE A 46 5.180 17.569 -12.611 1.00 74.22 H new ATOM 0 HA PHE A 46 6.786 16.621 -14.716 1.00 21.22 H new ATOM 0 HB2 PHE A 46 6.668 18.994 -13.979 1.00 61.01 H new ATOM 0 HB3 PHE A 46 7.378 18.582 -12.430 1.00 61.01 H new ATOM 0 HD1 PHE A 46 9.743 17.481 -12.440 1.00 63.14 H new ATOM 0 HD2 PHE A 46 8.062 19.459 -15.856 1.00 22.43 H new ATOM 0 HE1 PHE A 46 12.011 17.734 -13.408 1.00 62.02 H new ATOM 0 HE2 PHE A 46 10.331 19.732 -16.813 1.00 63.11 H new ATOM 0 HZ PHE A 46 12.305 18.867 -15.592 1.00 65.21 H new ATOM 751 N LYS A 47 8.164 16.201 -11.737 1.00 22.54 N ATOM 752 CA LYS A 47 9.144 15.339 -11.064 1.00 62.24 C ATOM 753 C LYS A 47 8.735 13.902 -11.334 1.00 5.42 C ATOM 754 O LYS A 47 9.559 13.046 -11.580 1.00 70.03 O ATOM 755 CB LYS A 47 9.065 15.665 -9.582 1.00 44.22 C ATOM 756 CG LYS A 47 9.801 16.979 -9.308 1.00 75.11 C ATOM 757 CD LYS A 47 10.315 16.986 -7.867 1.00 53.34 C ATOM 758 CE LYS A 47 11.813 17.304 -7.859 1.00 34.12 C ATOM 759 NZ LYS A 47 11.893 18.788 -7.755 1.00 34.44 N ATOM 0 H LYS A 47 7.727 16.920 -11.161 1.00 22.54 H new ATOM 0 HA LYS A 47 10.165 15.489 -11.414 1.00 62.24 H new ATOM 0 HB2 LYS A 47 8.023 15.748 -9.272 1.00 44.22 H new ATOM 0 HB3 LYS A 47 9.508 14.859 -8.997 1.00 44.22 H new ATOM 0 HG2 LYS A 47 10.633 17.094 -10.003 1.00 75.11 H new ATOM 0 HG3 LYS A 47 9.132 17.824 -9.471 1.00 75.11 H new ATOM 0 HD2 LYS A 47 9.772 17.727 -7.280 1.00 53.34 H new ATOM 0 HD3 LYS A 47 10.136 16.017 -7.401 1.00 53.34 H new ATOM 0 HE2 LYS A 47 12.314 16.822 -7.019 1.00 34.12 H new ATOM 0 HE3 LYS A 47 12.297 16.946 -8.767 1.00 34.12 H new ATOM 0 HZ1 LYS A 47 12.891 19.082 -7.744 1.00 34.44 H new ATOM 0 HZ2 LYS A 47 11.414 19.220 -8.571 1.00 34.44 H new ATOM 0 HZ3 LYS A 47 11.430 19.100 -6.877 1.00 34.44 H new ATOM 773 N GLU A 48 7.449 13.645 -11.342 1.00 74.33 N ATOM 774 CA GLU A 48 6.980 12.296 -11.652 1.00 44.24 C ATOM 775 C GLU A 48 7.432 11.976 -13.050 1.00 53.10 C ATOM 776 O GLU A 48 7.866 10.884 -13.348 1.00 23.11 O ATOM 777 CB GLU A 48 5.467 12.376 -11.585 1.00 12.44 C ATOM 778 CG GLU A 48 4.995 11.412 -10.532 1.00 43.01 C ATOM 779 CD GLU A 48 3.551 11.730 -10.143 1.00 42.31 C ATOM 780 OE1 GLU A 48 3.264 12.893 -9.909 1.00 25.00 O ATOM 781 OE2 GLU A 48 2.756 10.807 -10.087 1.00 35.04 O ATOM 0 H GLU A 48 6.716 14.326 -11.144 1.00 74.33 H new ATOM 0 HA GLU A 48 7.358 11.529 -10.975 1.00 44.24 H new ATOM 0 HB2 GLU A 48 5.150 13.390 -11.342 1.00 12.44 H new ATOM 0 HB3 GLU A 48 5.029 12.128 -12.552 1.00 12.44 H new ATOM 0 HG2 GLU A 48 5.063 10.390 -10.905 1.00 43.01 H new ATOM 0 HG3 GLU A 48 5.639 11.474 -9.655 1.00 43.01 H new ATOM 788 N VAL A 49 7.345 12.937 -13.915 1.00 61.53 N ATOM 789 CA VAL A 49 7.787 12.705 -15.290 1.00 54.24 C ATOM 790 C VAL A 49 9.243 12.543 -15.278 1.00 52.24 C ATOM 791 O VAL A 49 9.766 11.557 -15.641 1.00 3.40 O ATOM 792 CB VAL A 49 7.507 13.961 -16.044 1.00 20.05 C ATOM 793 CG1 VAL A 49 7.822 13.705 -17.484 1.00 10.31 C ATOM 794 CG2 VAL A 49 6.070 14.306 -15.881 1.00 23.44 C ATOM 0 H VAL A 49 6.985 13.871 -13.721 1.00 61.53 H new ATOM 0 HA VAL A 49 7.294 11.834 -15.723 1.00 54.24 H new ATOM 0 HB VAL A 49 8.110 14.790 -15.675 1.00 20.05 H new ATOM 0 HG11 VAL A 49 7.627 14.607 -18.065 1.00 10.31 H new ATOM 0 HG12 VAL A 49 8.872 13.429 -17.583 1.00 10.31 H new ATOM 0 HG13 VAL A 49 7.197 12.893 -17.854 1.00 10.31 H new ATOM 0 HG21 VAL A 49 5.852 15.223 -16.428 1.00 23.44 H new ATOM 0 HG22 VAL A 49 5.455 13.496 -16.272 1.00 23.44 H new ATOM 0 HG23 VAL A 49 5.849 14.453 -14.824 1.00 23.44 H new ATOM 804 N ALA A 50 9.896 13.525 -14.830 1.00 60.34 N ATOM 805 CA ALA A 50 11.340 13.456 -14.769 1.00 41.12 C ATOM 806 C ALA A 50 11.744 12.128 -14.146 1.00 50.40 C ATOM 807 O ALA A 50 12.493 11.389 -14.733 1.00 61.41 O ATOM 808 CB ALA A 50 11.636 14.626 -13.899 1.00 34.23 C ATOM 0 H ALA A 50 9.485 14.396 -14.494 1.00 60.34 H new ATOM 0 HA ALA A 50 11.872 13.495 -15.719 1.00 41.12 H new ATOM 0 HB1 ALA A 50 12.713 14.710 -13.756 1.00 34.23 H new ATOM 0 HB2 ALA A 50 11.261 15.534 -14.371 1.00 34.23 H new ATOM 0 HB3 ALA A 50 11.151 14.493 -12.932 1.00 34.23 H new ATOM 814 N GLU A 51 11.201 11.777 -13.006 1.00 72.35 N ATOM 815 CA GLU A 51 11.537 10.446 -12.433 1.00 35.25 C ATOM 816 C GLU A 51 11.000 9.389 -13.368 1.00 24.15 C ATOM 817 O GLU A 51 11.671 8.425 -13.668 1.00 15.12 O ATOM 818 CB GLU A 51 10.874 10.372 -11.075 1.00 52.22 C ATOM 819 CG GLU A 51 9.380 10.173 -11.202 1.00 42.22 C ATOM 820 CD GLU A 51 8.822 9.843 -9.815 1.00 12.44 C ATOM 821 OE1 GLU A 51 9.396 8.988 -9.164 1.00 3.11 O ATOM 822 OE2 GLU A 51 7.847 10.455 -9.420 1.00 44.35 O ATOM 0 H GLU A 51 10.553 12.345 -12.460 1.00 72.35 H new ATOM 0 HA GLU A 51 12.610 10.293 -12.320 1.00 35.25 H new ATOM 0 HB2 GLU A 51 11.305 9.551 -10.502 1.00 52.22 H new ATOM 0 HB3 GLU A 51 11.075 11.288 -10.520 1.00 52.22 H new ATOM 0 HG2 GLU A 51 8.909 11.073 -11.597 1.00 42.22 H new ATOM 0 HG3 GLU A 51 9.162 9.366 -11.901 1.00 42.22 H new ATOM 829 N ALA A 52 9.826 9.593 -13.905 1.00 20.41 N ATOM 830 CA ALA A 52 9.333 8.615 -14.896 1.00 41.12 C ATOM 831 C ALA A 52 10.346 8.670 -15.991 1.00 74.22 C ATOM 832 O ALA A 52 11.002 7.762 -16.410 1.00 24.22 O ATOM 833 CB ALA A 52 8.048 9.201 -15.447 1.00 12.30 C ATOM 0 H ALA A 52 9.206 10.377 -13.702 1.00 20.41 H new ATOM 0 HA ALA A 52 9.181 7.610 -14.502 1.00 41.12 H new ATOM 0 HB1 ALA A 52 7.628 8.523 -16.190 1.00 12.30 H new ATOM 0 HB2 ALA A 52 7.333 9.337 -14.636 1.00 12.30 H new ATOM 0 HB3 ALA A 52 8.257 10.164 -15.912 1.00 12.30 H new ATOM 839 N TRP A 53 10.480 9.780 -16.428 1.00 10.24 N ATOM 840 CA TRP A 53 11.426 10.042 -17.453 1.00 30.25 C ATOM 841 C TRP A 53 12.780 9.443 -17.068 1.00 70.43 C ATOM 842 O TRP A 53 13.504 8.982 -17.918 1.00 74.33 O ATOM 843 CB TRP A 53 11.416 11.528 -17.503 1.00 4.45 C ATOM 844 CG TRP A 53 12.439 11.894 -18.439 1.00 5.12 C ATOM 845 CD1 TRP A 53 13.460 12.710 -18.221 1.00 5.33 C ATOM 846 CD2 TRP A 53 12.559 11.386 -19.740 1.00 21.22 C ATOM 847 NE1 TRP A 53 14.249 12.723 -19.354 1.00 24.10 N ATOM 848 CE2 TRP A 53 13.707 11.905 -20.326 1.00 12.15 C ATOM 849 CE3 TRP A 53 11.761 10.517 -20.455 1.00 60.31 C ATOM 850 CZ2 TRP A 53 14.058 11.550 -21.603 1.00 74.34 C ATOM 851 CZ3 TRP A 53 12.090 10.163 -21.723 1.00 42.12 C ATOM 852 CH2 TRP A 53 13.250 10.671 -22.316 1.00 12.13 C ATOM 0 H TRP A 53 9.950 10.593 -16.114 1.00 10.24 H new ATOM 0 HA TRP A 53 11.207 9.604 -18.427 1.00 30.25 H new ATOM 0 HB2 TRP A 53 10.443 11.902 -17.821 1.00 4.45 H new ATOM 0 HB3 TRP A 53 11.615 11.954 -16.520 1.00 4.45 H new ATOM 0 HD1 TRP A 53 13.643 13.268 -17.315 1.00 5.33 H new ATOM 0 HE1 TRP A 53 15.110 13.260 -19.458 1.00 24.10 H new ATOM 0 HE3 TRP A 53 10.867 10.115 -20.002 1.00 60.31 H new ATOM 0 HZ2 TRP A 53 14.955 11.950 -22.052 1.00 74.34 H new ATOM 0 HZ3 TRP A 53 11.454 9.487 -22.276 1.00 42.12 H new ATOM 0 HH2 TRP A 53 13.517 10.382 -23.322 1.00 12.13 H new ATOM 863 N GLU A 54 13.114 9.349 -15.800 1.00 52.33 N ATOM 864 CA GLU A 54 14.394 8.663 -15.501 1.00 11.54 C ATOM 865 C GLU A 54 14.163 7.258 -15.965 1.00 61.41 C ATOM 866 O GLU A 54 14.660 6.823 -16.966 1.00 71.14 O ATOM 867 CB GLU A 54 14.561 8.604 -13.977 1.00 34.45 C ATOM 868 CG GLU A 54 14.672 9.985 -13.375 1.00 64.52 C ATOM 869 CD GLU A 54 15.942 10.676 -13.876 1.00 13.35 C ATOM 870 OE1 GLU A 54 15.912 11.199 -14.978 1.00 51.03 O ATOM 871 OE2 GLU A 54 16.924 10.666 -13.152 1.00 62.41 O ATOM 0 H GLU A 54 12.582 9.700 -15.003 1.00 52.33 H new ATOM 0 HA GLU A 54 15.255 9.150 -15.958 1.00 11.54 H new ATOM 0 HB2 GLU A 54 13.711 8.082 -13.537 1.00 34.45 H new ATOM 0 HB3 GLU A 54 15.452 8.026 -13.730 1.00 34.45 H new ATOM 0 HG2 GLU A 54 13.797 10.578 -13.641 1.00 64.52 H new ATOM 0 HG3 GLU A 54 14.691 9.916 -12.287 1.00 64.52 H new ATOM 878 N VAL A 55 13.294 6.597 -15.268 1.00 30.13 N ATOM 879 CA VAL A 55 12.893 5.231 -15.637 1.00 32.33 C ATOM 880 C VAL A 55 12.683 5.121 -17.086 1.00 14.31 C ATOM 881 O VAL A 55 13.343 4.395 -17.762 1.00 35.10 O ATOM 882 CB VAL A 55 11.562 4.985 -14.921 1.00 53.33 C ATOM 883 CG1 VAL A 55 11.776 4.442 -13.535 1.00 24.54 C ATOM 884 CG2 VAL A 55 10.807 6.239 -14.767 1.00 33.34 C ATOM 0 H VAL A 55 12.834 6.962 -14.434 1.00 30.13 H new ATOM 0 HA VAL A 55 13.662 4.510 -15.358 1.00 32.33 H new ATOM 0 HB VAL A 55 11.015 4.269 -15.534 1.00 53.33 H new ATOM 0 HG11 VAL A 55 10.811 4.279 -13.055 1.00 24.54 H new ATOM 0 HG12 VAL A 55 12.316 3.497 -13.594 1.00 24.54 H new ATOM 0 HG13 VAL A 55 12.356 5.156 -12.950 1.00 24.54 H new ATOM 0 HG21 VAL A 55 9.866 6.037 -14.256 1.00 33.34 H new ATOM 0 HG22 VAL A 55 11.393 6.947 -14.181 1.00 33.34 H new ATOM 0 HG23 VAL A 55 10.602 6.663 -15.750 1.00 33.34 H new ATOM 894 N LEU A 56 11.792 5.851 -17.563 1.00 44.11 N ATOM 895 CA LEU A 56 11.499 5.786 -18.977 1.00 63.31 C ATOM 896 C LEU A 56 12.747 6.092 -19.789 1.00 62.21 C ATOM 897 O LEU A 56 13.032 5.454 -20.782 1.00 32.34 O ATOM 898 CB LEU A 56 10.392 6.795 -19.144 1.00 25.23 C ATOM 899 CG LEU A 56 9.361 6.642 -18.035 1.00 45.24 C ATOM 900 CD1 LEU A 56 8.059 7.178 -18.495 1.00 3.33 C ATOM 901 CD2 LEU A 56 9.215 5.194 -17.643 1.00 11.24 C ATOM 0 H LEU A 56 11.230 6.514 -17.029 1.00 44.11 H new ATOM 0 HA LEU A 56 11.189 4.804 -19.334 1.00 63.31 H new ATOM 0 HB2 LEU A 56 10.805 7.803 -19.128 1.00 25.23 H new ATOM 0 HB3 LEU A 56 9.914 6.662 -20.114 1.00 25.23 H new ATOM 0 HG LEU A 56 9.696 7.201 -17.161 1.00 45.24 H new ATOM 0 HD11 LEU A 56 7.320 7.069 -17.701 1.00 3.33 H new ATOM 0 HD12 LEU A 56 8.168 8.233 -18.747 1.00 3.33 H new ATOM 0 HD13 LEU A 56 7.730 6.627 -19.376 1.00 3.33 H new ATOM 0 HD21 LEU A 56 8.474 5.105 -16.849 1.00 11.24 H new ATOM 0 HD22 LEU A 56 8.892 4.614 -18.507 1.00 11.24 H new ATOM 0 HD23 LEU A 56 10.173 4.815 -17.289 1.00 11.24 H new ATOM 913 N SER A 57 13.513 7.033 -19.350 1.00 54.34 N ATOM 914 CA SER A 57 14.782 7.349 -20.086 1.00 0.44 C ATOM 915 C SER A 57 15.948 6.555 -19.484 1.00 43.00 C ATOM 916 O SER A 57 17.098 6.779 -19.804 1.00 44.01 O ATOM 917 CB SER A 57 15.006 8.851 -19.926 1.00 43.34 C ATOM 918 OG SER A 57 15.708 9.095 -18.715 1.00 60.33 O ATOM 0 H SER A 57 13.331 7.601 -18.523 1.00 54.34 H new ATOM 0 HA SER A 57 14.717 7.077 -21.139 1.00 0.44 H new ATOM 0 HB2 SER A 57 15.573 9.238 -20.773 1.00 43.34 H new ATOM 0 HB3 SER A 57 14.050 9.374 -19.917 1.00 43.34 H new ATOM 0 HG SER A 57 15.095 9.478 -18.053 1.00 60.33 H new ATOM 924 N ASP A 58 15.653 5.622 -18.619 1.00 43.13 N ATOM 925 CA ASP A 58 16.728 4.800 -17.995 1.00 30.14 C ATOM 926 C ASP A 58 16.470 3.332 -18.283 1.00 32.24 C ATOM 927 O ASP A 58 15.551 2.749 -17.741 1.00 22.13 O ATOM 928 CB ASP A 58 16.627 5.019 -16.481 1.00 44.22 C ATOM 929 CG ASP A 58 18.021 5.277 -15.908 1.00 73.32 C ATOM 930 OD1 ASP A 58 18.939 4.571 -16.292 1.00 75.02 O ATOM 931 OD2 ASP A 58 18.148 6.178 -15.095 1.00 10.03 O ATOM 0 H ASP A 58 14.706 5.393 -18.316 1.00 43.13 H new ATOM 0 HA ASP A 58 17.708 5.079 -18.383 1.00 30.14 H new ATOM 0 HB2 ASP A 58 15.973 5.864 -16.268 1.00 44.22 H new ATOM 0 HB3 ASP A 58 16.183 4.145 -16.005 1.00 44.22 H new ATOM 936 N GLU A 59 17.259 2.711 -19.106 1.00 52.51 N ATOM 937 CA GLU A 59 17.013 1.275 -19.367 1.00 3.44 C ATOM 938 C GLU A 59 16.839 0.565 -18.021 1.00 41.42 C ATOM 939 O GLU A 59 16.119 -0.410 -17.905 1.00 61.50 O ATOM 940 CB GLU A 59 18.249 0.766 -20.124 1.00 64.31 C ATOM 941 CG GLU A 59 19.458 0.690 -19.186 1.00 35.23 C ATOM 942 CD GLU A 59 20.636 1.445 -19.804 1.00 70.41 C ATOM 943 OE1 GLU A 59 21.261 0.901 -20.700 1.00 11.52 O ATOM 944 OE2 GLU A 59 20.894 2.556 -19.368 1.00 4.30 O ATOM 0 H GLU A 59 18.049 3.126 -19.600 1.00 52.51 H new ATOM 0 HA GLU A 59 16.115 1.091 -19.956 1.00 3.44 H new ATOM 0 HB2 GLU A 59 18.045 -0.219 -20.545 1.00 64.31 H new ATOM 0 HB3 GLU A 59 18.470 1.430 -20.959 1.00 64.31 H new ATOM 0 HG2 GLU A 59 19.206 1.120 -18.216 1.00 35.23 H new ATOM 0 HG3 GLU A 59 19.731 -0.351 -19.012 1.00 35.23 H new ATOM 951 N GLN A 60 17.461 1.079 -16.987 1.00 31.25 N ATOM 952 CA GLN A 60 17.315 0.453 -15.654 1.00 3.34 C ATOM 953 C GLN A 60 16.069 0.997 -14.975 1.00 64.55 C ATOM 954 O GLN A 60 15.131 0.267 -14.732 1.00 73.21 O ATOM 955 CB GLN A 60 18.578 0.825 -14.887 1.00 5.32 C ATOM 956 CG GLN A 60 19.443 -0.426 -14.738 1.00 3.13 C ATOM 957 CD GLN A 60 20.865 -0.027 -14.342 1.00 12.31 C ATOM 958 OE1 GLN A 60 21.685 0.266 -15.189 1.00 52.10 O ATOM 959 NE2 GLN A 60 21.193 -0.004 -13.080 1.00 23.24 N ATOM 0 H GLN A 60 18.060 1.904 -17.018 1.00 31.25 H new ATOM 0 HA GLN A 60 17.201 -0.630 -15.706 1.00 3.34 H new ATOM 0 HB2 GLN A 60 19.127 1.604 -15.417 1.00 5.32 H new ATOM 0 HB3 GLN A 60 18.321 1.226 -13.907 1.00 5.32 H new ATOM 0 HG2 GLN A 60 19.017 -1.086 -13.983 1.00 3.13 H new ATOM 0 HG3 GLN A 60 19.459 -0.982 -15.675 1.00 3.13 H new ATOM 0 HE21 GLN A 60 20.504 -0.250 -12.369 1.00 23.24 H new ATOM 0 HE22 GLN A 60 22.139 0.260 -12.804 1.00 23.24 H new ATOM 968 N ARG A 61 16.013 2.267 -14.671 1.00 42.40 N ATOM 969 CA ARG A 61 14.769 2.750 -14.033 1.00 20.31 C ATOM 970 C ARG A 61 13.588 2.302 -14.907 1.00 63.03 C ATOM 971 O ARG A 61 12.679 1.707 -14.404 1.00 72.22 O ATOM 972 CB ARG A 61 14.844 4.279 -13.890 1.00 75.43 C ATOM 973 CG ARG A 61 15.860 4.675 -12.863 1.00 45.42 C ATOM 974 CD ARG A 61 15.627 3.876 -11.580 1.00 34.20 C ATOM 975 NE ARG A 61 16.256 4.688 -10.503 1.00 70.03 N ATOM 976 CZ ARG A 61 15.677 4.788 -9.339 1.00 33.32 C ATOM 977 NH1 ARG A 61 15.088 3.749 -8.812 1.00 61.22 N ATOM 978 NH2 ARG A 61 15.684 5.927 -8.700 1.00 65.13 N ATOM 0 H ARG A 61 16.744 2.960 -14.831 1.00 42.40 H new ATOM 0 HA ARG A 61 14.636 2.336 -13.034 1.00 20.31 H new ATOM 0 HB2 ARG A 61 15.101 4.725 -14.851 1.00 75.43 H new ATOM 0 HB3 ARG A 61 13.866 4.669 -13.608 1.00 75.43 H new ATOM 0 HG2 ARG A 61 16.866 4.491 -13.241 1.00 45.42 H new ATOM 0 HG3 ARG A 61 15.787 5.743 -12.657 1.00 45.42 H new ATOM 0 HD2 ARG A 61 14.563 3.729 -11.394 1.00 34.20 H new ATOM 0 HD3 ARG A 61 16.079 2.886 -11.644 1.00 34.20 H new ATOM 0 HE ARG A 61 17.140 5.166 -10.675 1.00 70.03 H new ATOM 0 HH11 ARG A 61 15.081 2.859 -9.311 1.00 61.22 H new ATOM 0 HH12 ARG A 61 14.635 3.827 -7.901 1.00 61.22 H new ATOM 0 HH21 ARG A 61 16.143 6.740 -9.111 1.00 65.13 H new ATOM 0 HH22 ARG A 61 15.231 6.004 -7.790 1.00 65.13 H new ATOM 992 N ARG A 62 13.568 2.527 -16.211 1.00 41.40 N ATOM 993 CA ARG A 62 12.385 2.000 -16.960 1.00 33.01 C ATOM 994 C ARG A 62 12.304 0.514 -16.651 1.00 53.05 C ATOM 995 O ARG A 62 11.270 0.000 -16.334 1.00 5.21 O ATOM 996 CB ARG A 62 12.601 2.159 -18.456 1.00 74.01 C ATOM 997 CG ARG A 62 11.238 2.400 -19.094 1.00 23.31 C ATOM 998 CD ARG A 62 11.382 2.513 -20.622 1.00 51.23 C ATOM 999 NE ARG A 62 12.572 1.689 -20.996 1.00 22.44 N ATOM 1000 CZ ARG A 62 12.450 0.718 -21.859 1.00 63.34 C ATOM 1001 NH1 ARG A 62 11.634 0.842 -22.869 1.00 51.42 N ATOM 1002 NH2 ARG A 62 13.147 -0.375 -21.714 1.00 62.51 N ATOM 0 H ARG A 62 14.275 3.022 -16.754 1.00 41.40 H new ATOM 0 HA ARG A 62 11.480 2.536 -16.672 1.00 33.01 H new ATOM 0 HB2 ARG A 62 13.272 2.993 -18.660 1.00 74.01 H new ATOM 0 HB3 ARG A 62 13.067 1.266 -18.873 1.00 74.01 H new ATOM 0 HG2 ARG A 62 10.561 1.583 -18.844 1.00 23.31 H new ATOM 0 HG3 ARG A 62 10.797 3.313 -18.694 1.00 23.31 H new ATOM 0 HD2 ARG A 62 10.485 2.150 -21.124 1.00 51.23 H new ATOM 0 HD3 ARG A 62 11.518 3.552 -20.923 1.00 51.23 H new ATOM 0 HE ARG A 62 13.480 1.886 -20.576 1.00 22.44 H new ATOM 0 HH11 ARG A 62 11.091 1.698 -22.984 1.00 51.42 H new ATOM 0 HH12 ARG A 62 11.539 0.083 -23.544 1.00 51.42 H new ATOM 0 HH21 ARG A 62 13.787 -0.471 -20.926 1.00 62.51 H new ATOM 0 HH22 ARG A 62 13.052 -1.134 -22.389 1.00 62.51 H new ATOM 1016 N ALA A 63 13.411 -0.189 -16.734 1.00 51.23 N ATOM 1017 CA ALA A 63 13.371 -1.644 -16.419 1.00 2.23 C ATOM 1018 C ALA A 63 12.741 -1.833 -15.041 1.00 1.00 C ATOM 1019 O ALA A 63 11.725 -2.480 -14.896 1.00 40.35 O ATOM 1020 CB ALA A 63 14.829 -2.085 -16.397 1.00 2.40 C ATOM 0 H ALA A 63 14.324 0.179 -17.002 1.00 51.23 H new ATOM 0 HA ALA A 63 12.788 -2.219 -17.139 1.00 2.23 H new ATOM 0 HB1 ALA A 63 14.884 -3.150 -16.171 1.00 2.40 H new ATOM 0 HB2 ALA A 63 15.281 -1.897 -17.371 1.00 2.40 H new ATOM 0 HB3 ALA A 63 15.367 -1.524 -15.633 1.00 2.40 H new ATOM 1026 N GLU A 64 13.311 -1.238 -14.028 1.00 72.23 N ATOM 1027 CA GLU A 64 12.705 -1.359 -12.680 1.00 3.31 C ATOM 1028 C GLU A 64 11.289 -0.808 -12.767 1.00 32.50 C ATOM 1029 O GLU A 64 10.342 -1.386 -12.264 1.00 32.41 O ATOM 1030 CB GLU A 64 13.565 -0.487 -11.762 1.00 0.12 C ATOM 1031 CG GLU A 64 14.979 -1.065 -11.673 1.00 0.05 C ATOM 1032 CD GLU A 64 15.706 -0.443 -10.478 1.00 10.35 C ATOM 1033 OE1 GLU A 64 15.029 0.042 -9.586 1.00 14.33 O ATOM 1034 OE2 GLU A 64 16.926 -0.462 -10.476 1.00 21.32 O ATOM 0 H GLU A 64 14.163 -0.679 -14.078 1.00 72.23 H new ATOM 0 HA GLU A 64 12.664 -2.383 -12.310 1.00 3.31 H new ATOM 0 HB2 GLU A 64 13.603 0.533 -12.145 1.00 0.12 H new ATOM 0 HB3 GLU A 64 13.119 -0.439 -10.769 1.00 0.12 H new ATOM 0 HG2 GLU A 64 14.935 -2.149 -11.563 1.00 0.05 H new ATOM 0 HG3 GLU A 64 15.526 -0.860 -12.593 1.00 0.05 H new ATOM 1041 N TYR A 65 11.139 0.308 -13.431 1.00 70.05 N ATOM 1042 CA TYR A 65 9.799 0.895 -13.584 1.00 44.14 C ATOM 1043 C TYR A 65 8.883 -0.138 -14.197 1.00 53.10 C ATOM 1044 O TYR A 65 7.862 -0.507 -13.667 1.00 41.51 O ATOM 1045 CB TYR A 65 9.951 2.044 -14.588 1.00 20.31 C ATOM 1046 CG TYR A 65 8.608 2.600 -14.805 1.00 62.40 C ATOM 1047 CD1 TYR A 65 7.800 2.806 -13.703 1.00 74.14 C ATOM 1048 CD2 TYR A 65 8.150 2.899 -16.091 1.00 42.43 C ATOM 1049 CE1 TYR A 65 6.543 3.306 -13.864 1.00 4.10 C ATOM 1050 CE2 TYR A 65 6.867 3.388 -16.253 1.00 31.01 C ATOM 1051 CZ TYR A 65 6.058 3.596 -15.143 1.00 51.31 C ATOM 1052 OH TYR A 65 4.773 4.044 -15.318 1.00 33.33 O ATOM 0 H TYR A 65 11.896 0.831 -13.871 1.00 70.05 H new ATOM 0 HA TYR A 65 9.395 1.228 -12.628 1.00 44.14 H new ATOM 0 HB2 TYR A 65 10.627 2.807 -14.203 1.00 20.31 H new ATOM 0 HB3 TYR A 65 10.376 1.685 -15.525 1.00 20.31 H new ATOM 0 HD1 TYR A 65 8.165 2.571 -12.714 1.00 74.14 H new ATOM 0 HD2 TYR A 65 8.790 2.750 -16.948 1.00 42.43 H new ATOM 0 HE1 TYR A 65 5.918 3.479 -13.000 1.00 4.10 H new ATOM 0 HE2 TYR A 65 6.494 3.608 -17.242 1.00 31.01 H new ATOM 0 HH TYR A 65 4.190 3.288 -15.540 1.00 33.33 H new ATOM 1062 N ASP A 66 9.277 -0.610 -15.322 1.00 30.41 N ATOM 1063 CA ASP A 66 8.468 -1.641 -16.023 1.00 23.20 C ATOM 1064 C ASP A 66 8.416 -2.913 -15.168 1.00 35.35 C ATOM 1065 O ASP A 66 7.442 -3.638 -15.173 1.00 24.41 O ATOM 1066 CB ASP A 66 9.179 -1.859 -17.375 1.00 52.12 C ATOM 1067 CG ASP A 66 9.827 -3.249 -17.450 1.00 12.03 C ATOM 1068 OD1 ASP A 66 10.824 -3.455 -16.782 1.00 54.21 O ATOM 1069 OD2 ASP A 66 9.314 -4.079 -18.179 1.00 5.10 O ATOM 0 H ASP A 66 10.133 -0.331 -15.802 1.00 30.41 H new ATOM 0 HA ASP A 66 7.432 -1.345 -16.186 1.00 23.20 H new ATOM 0 HB2 ASP A 66 8.461 -1.746 -18.188 1.00 52.12 H new ATOM 0 HB3 ASP A 66 9.941 -1.093 -17.515 1.00 52.12 H new ATOM 1074 N GLN A 67 9.457 -3.177 -14.424 1.00 21.21 N ATOM 1075 CA GLN A 67 9.470 -4.390 -13.558 1.00 32.12 C ATOM 1076 C GLN A 67 8.289 -4.342 -12.591 1.00 61.21 C ATOM 1077 O GLN A 67 7.582 -5.312 -12.411 1.00 11.20 O ATOM 1078 CB GLN A 67 10.793 -4.322 -12.795 1.00 62.11 C ATOM 1079 CG GLN A 67 10.931 -5.553 -11.896 1.00 54.45 C ATOM 1080 CD GLN A 67 11.267 -6.775 -12.752 1.00 5.53 C ATOM 1081 OE1 GLN A 67 11.681 -6.642 -13.886 1.00 63.11 O ATOM 1082 NE2 GLN A 67 11.107 -7.971 -12.253 1.00 13.52 N ATOM 0 H GLN A 67 10.299 -2.604 -14.379 1.00 21.21 H new ATOM 0 HA GLN A 67 9.383 -5.314 -14.130 1.00 32.12 H new ATOM 0 HB2 GLN A 67 11.627 -4.276 -13.496 1.00 62.11 H new ATOM 0 HB3 GLN A 67 10.831 -3.414 -12.194 1.00 62.11 H new ATOM 0 HG2 GLN A 67 11.713 -5.389 -11.155 1.00 54.45 H new ATOM 0 HG3 GLN A 67 10.004 -5.723 -11.349 1.00 54.45 H new ATOM 0 HE21 GLN A 67 10.759 -8.084 -11.301 1.00 13.52 H new ATOM 0 HE22 GLN A 67 11.330 -8.792 -12.815 1.00 13.52 H new ATOM 1091 N MET A 68 8.060 -3.216 -11.973 1.00 45.31 N ATOM 1092 CA MET A 68 6.900 -3.127 -11.028 1.00 41.42 C ATOM 1093 C MET A 68 5.595 -3.005 -11.824 1.00 43.11 C ATOM 1094 O MET A 68 4.567 -3.517 -11.427 1.00 2.22 O ATOM 1095 CB MET A 68 7.088 -1.892 -10.112 1.00 73.12 C ATOM 1096 CG MET A 68 8.357 -1.096 -10.447 1.00 42.31 C ATOM 1097 SD MET A 68 8.491 0.325 -9.328 1.00 33.42 S ATOM 1098 CE MET A 68 8.004 1.599 -10.518 1.00 23.31 C ATOM 0 H MET A 68 8.613 -2.365 -12.075 1.00 45.31 H new ATOM 0 HA MET A 68 6.851 -4.026 -10.414 1.00 41.42 H new ATOM 0 HB2 MET A 68 6.220 -1.240 -10.205 1.00 73.12 H new ATOM 0 HB3 MET A 68 7.132 -2.218 -9.073 1.00 73.12 H new ATOM 0 HG2 MET A 68 9.236 -1.734 -10.349 1.00 42.31 H new ATOM 0 HG3 MET A 68 8.323 -0.756 -11.482 1.00 42.31 H new ATOM 0 HE1 MET A 68 8.721 2.419 -10.487 1.00 23.31 H new ATOM 0 HE2 MET A 68 7.984 1.172 -11.521 1.00 23.31 H new ATOM 0 HE3 MET A 68 7.013 1.974 -10.264 1.00 23.31 H new ATOM 1108 N TRP A 69 5.621 -2.327 -12.944 1.00 12.23 N ATOM 1109 CA TRP A 69 4.367 -2.179 -13.750 1.00 75.22 C ATOM 1110 C TRP A 69 3.849 -3.559 -14.220 1.00 21.03 C ATOM 1111 O TRP A 69 3.599 -4.434 -13.414 1.00 63.23 O ATOM 1112 CB TRP A 69 4.751 -1.267 -14.926 1.00 12.54 C ATOM 1113 CG TRP A 69 3.619 -0.325 -15.240 1.00 75.23 C ATOM 1114 CD1 TRP A 69 3.769 1.004 -15.439 1.00 71.34 C ATOM 1115 CD2 TRP A 69 2.184 -0.593 -15.372 1.00 44.21 C ATOM 1116 NE1 TRP A 69 2.536 1.566 -15.701 1.00 20.25 N ATOM 1117 CE2 TRP A 69 1.528 0.627 -15.674 1.00 41.04 C ATOM 1118 CE3 TRP A 69 1.394 -1.755 -15.272 1.00 35.43 C ATOM 1119 CZ2 TRP A 69 0.148 0.690 -15.865 1.00 74.42 C ATOM 1120 CZ3 TRP A 69 0.004 -1.691 -15.463 1.00 2.21 C ATOM 1121 CH2 TRP A 69 -0.616 -0.472 -15.761 1.00 12.42 C ATOM 0 H TRP A 69 6.447 -1.873 -13.334 1.00 12.23 H new ATOM 0 HA TRP A 69 3.549 -1.747 -13.173 1.00 75.22 H new ATOM 0 HB2 TRP A 69 5.649 -0.700 -14.679 1.00 12.54 H new ATOM 0 HB3 TRP A 69 4.986 -1.870 -15.803 1.00 12.54 H new ATOM 0 HD1 TRP A 69 4.705 1.541 -15.399 1.00 71.34 H new ATOM 0 HE1 TRP A 69 2.389 2.557 -15.892 1.00 20.25 H new ATOM 0 HE3 TRP A 69 1.861 -2.702 -15.047 1.00 35.43 H new ATOM 0 HZ2 TRP A 69 -0.326 1.633 -16.092 1.00 74.42 H new ATOM 0 HZ3 TRP A 69 -0.591 -2.589 -15.379 1.00 2.21 H new ATOM 0 HH2 TRP A 69 -1.685 -0.431 -15.910 1.00 12.42 H new