USER MOD reduce.3.24.130724 H: found=0, std=0, add=860, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 857 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 56 THR OG1 : rot 72:sc= 0.241 USER MOD Set 1.2: A 94 TYR OH : rot 14:sc= 1.06 USER MOD Set 2.1: A 43 HIS : no HD1:sc= 0.646 K(o=1.2,f=-2.8) USER MOD Set 2.2: A 47 CYS SG : rot 118:sc= 0.548 USER MOD Single : A 8 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0415 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 CYS SG : rot 139:sc= -0.465 USER MOD Single : A 15 LYS NZ :NH3+ 159:sc= -0.0301 (180deg=-0.244) USER MOD Single : A 18 MET CE :methyl 162:sc= -0.0728 (180deg=-0.301) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -2.34! K(o=-2.3!,f=-0.97) USER MOD Single : A 44 THR OG1 : rot 79:sc= 0.159 USER MOD Single : A 46 GLN : amide:sc= -0.107 K(o=-0.11,f=-1) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 HIS : no HE2:sc= -0.277 K(o=-0.28,f=-2.9!) USER MOD Single : A 58 CYS SG : rot 29:sc= 0.793 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot -96:sc= 0.442 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= 0 K(o=0,f=-2.6!) USER MOD Single : A 67 GLN : amide:sc= 0.415 K(o=0.41,f=-1.7!) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN : amide:sc= -0.103 K(o=-0.1,f=-0.76) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= -0.465 K(o=-0.47,f=-1.2) USER MOD Single : A 80 SER OG : rot 51:sc= 1.12 USER MOD Single : A 81 LYS NZ :NH3+ -172:sc= -0.0163 (180deg=-0.109) USER MOD Single : A 83 THR OG1 : rot 180:sc=-0.000779 USER MOD Single : A 89 LYS NZ :NH3+ -157:sc= 0.877 (180deg=0.575) USER MOD Single : A 91 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 HIS : no HD1:sc= -0.335 X(o=-0.34,f=-0.48) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 59 N LEU A 6 -13.860 -6.367 -2.861 1.00 13.12 N ATOM 60 CA LEU A 6 -13.419 -7.510 -2.042 1.00 4.11 C ATOM 61 C LEU A 6 -14.586 -8.231 -1.373 1.00 45.43 C ATOM 62 O LEU A 6 -15.652 -7.661 -1.149 1.00 60.30 O ATOM 63 CB LEU A 6 -12.404 -7.117 -0.948 1.00 72.24 C ATOM 64 CG LEU A 6 -11.164 -6.362 -1.450 1.00 35.44 C ATOM 65 CD1 LEU A 6 -10.399 -5.773 -0.267 1.00 4.41 C ATOM 66 CD2 LEU A 6 -10.233 -7.288 -2.236 1.00 61.12 C ATOM 0 HA LEU A 6 -12.932 -8.179 -2.751 1.00 4.11 H new ATOM 0 HB2 LEU A 6 -12.912 -6.498 -0.208 1.00 72.24 H new ATOM 0 HB3 LEU A 6 -12.077 -8.022 -0.436 1.00 72.24 H new ATOM 0 HG LEU A 6 -11.503 -5.564 -2.110 1.00 35.44 H new ATOM 0 HD11 LEU A 6 -9.521 -5.239 -0.631 1.00 4.41 H new ATOM 0 HD12 LEU A 6 -11.044 -5.083 0.276 1.00 4.41 H new ATOM 0 HD13 LEU A 6 -10.085 -6.576 0.399 1.00 4.41 H new ATOM 0 HD21 LEU A 6 -9.364 -6.725 -2.578 1.00 61.12 H new ATOM 0 HD22 LEU A 6 -9.906 -8.105 -1.594 1.00 61.12 H new ATOM 0 HD23 LEU A 6 -10.765 -7.694 -3.097 1.00 61.12 H new ATOM 78 N ASP A 7 -14.370 -9.517 -1.084 1.00 75.13 N ATOM 79 CA ASP A 7 -15.327 -10.377 -0.396 1.00 1.34 C ATOM 80 C ASP A 7 -15.420 -9.944 1.059 1.00 50.11 C ATOM 81 O ASP A 7 -14.452 -9.404 1.591 1.00 25.20 O ATOM 82 CB ASP A 7 -14.872 -11.840 -0.440 1.00 22.15 C ATOM 83 CG ASP A 7 -16.042 -12.783 -0.204 1.00 51.25 C ATOM 84 OD1 ASP A 7 -16.443 -12.941 0.969 1.00 3.35 O1- ATOM 85 OD2 ASP A 7 -16.601 -13.272 -1.214 1.00 12.54 O ATOM 0 H ASP A 7 -13.504 -9.997 -1.329 1.00 75.13 H new ATOM 0 HA ASP A 7 -16.294 -10.290 -0.891 1.00 1.34 H new ATOM 0 HB2 ASP A 7 -14.417 -12.054 -1.407 1.00 22.15 H new ATOM 0 HB3 ASP A 7 -14.106 -12.009 0.317 1.00 22.15 H new ATOM 90 N GLN A 8 -16.520 -10.271 1.729 1.00 35.03 N ATOM 91 CA GLN A 8 -16.686 -10.084 3.167 1.00 31.00 C ATOM 92 C GLN A 8 -15.529 -10.725 3.944 1.00 15.44 C ATOM 93 O GLN A 8 -15.008 -10.112 4.875 1.00 42.40 O ATOM 94 CB GLN A 8 -18.014 -10.702 3.618 1.00 11.40 C ATOM 95 CG GLN A 8 -19.256 -9.995 3.047 1.00 73.15 C ATOM 96 CD GLN A 8 -20.558 -10.547 3.632 1.00 5.35 C ATOM 97 OE1 GLN A 8 -20.634 -10.895 4.805 1.00 73.41 O ATOM 98 NE2 GLN A 8 -21.634 -10.613 2.868 1.00 23.44 N ATOM 0 H GLN A 8 -17.338 -10.682 1.279 1.00 35.03 H new ATOM 0 HA GLN A 8 -16.688 -9.014 3.375 1.00 31.00 H new ATOM 0 HB2 GLN A 8 -18.036 -11.750 3.320 1.00 11.40 H new ATOM 0 HB3 GLN A 8 -18.063 -10.679 4.707 1.00 11.40 H new ATOM 0 HG2 GLN A 8 -19.191 -8.927 3.254 1.00 73.15 H new ATOM 0 HG3 GLN A 8 -19.270 -10.109 1.963 1.00 73.15 H new ATOM 0 HE21 GLN A 8 -21.584 -10.326 1.890 1.00 23.44 H new ATOM 0 HE22 GLN A 8 -22.515 -10.951 3.256 1.00 23.44 H new ATOM 107 N LYS A 9 -15.109 -11.938 3.553 1.00 54.03 N ATOM 108 CA LYS A 9 -13.945 -12.606 4.137 1.00 31.31 C ATOM 109 C LYS A 9 -12.725 -11.689 4.003 1.00 71.23 C ATOM 110 O LYS A 9 -12.149 -11.220 4.995 1.00 2.24 O ATOM 111 CB LYS A 9 -13.719 -13.965 3.431 1.00 54.31 C ATOM 112 CG LYS A 9 -14.711 -15.078 3.820 1.00 72.00 C ATOM 113 CD LYS A 9 -14.347 -15.703 5.173 1.00 23.34 C ATOM 114 CE LYS A 9 -15.336 -16.804 5.586 1.00 1.24 C ATOM 115 NZ LYS A 9 -15.121 -17.244 6.983 1.00 21.22 N1+ ATOM 0 H LYS A 9 -15.570 -12.480 2.822 1.00 54.03 H new ATOM 0 HA LYS A 9 -14.110 -12.805 5.196 1.00 31.31 H new ATOM 0 HB2 LYS A 9 -13.775 -13.810 2.353 1.00 54.31 H new ATOM 0 HB3 LYS A 9 -12.708 -14.308 3.652 1.00 54.31 H new ATOM 0 HG2 LYS A 9 -15.720 -14.669 3.866 1.00 72.00 H new ATOM 0 HG3 LYS A 9 -14.715 -15.850 3.050 1.00 72.00 H new ATOM 0 HD2 LYS A 9 -13.342 -16.121 5.120 1.00 23.34 H new ATOM 0 HD3 LYS A 9 -14.330 -14.926 5.938 1.00 23.34 H new ATOM 0 HE2 LYS A 9 -16.356 -16.436 5.474 1.00 1.24 H new ATOM 0 HE3 LYS A 9 -15.230 -17.657 4.916 1.00 1.24 H new ATOM 0 HZ1 LYS A 9 -15.808 -17.987 7.223 1.00 21.22 H new ATOM 0 HZ2 LYS A 9 -14.156 -17.619 7.084 1.00 21.22 H new ATOM 0 HZ3 LYS A 9 -15.248 -16.436 7.625 1.00 21.22 H new ATOM 129 N THR A 10 -12.314 -11.469 2.756 1.00 74.25 N ATOM 130 CA THR A 10 -11.083 -10.793 2.403 1.00 13.54 C ATOM 131 C THR A 10 -11.022 -9.397 3.028 1.00 52.52 C ATOM 132 O THR A 10 -9.955 -8.994 3.486 1.00 61.23 O ATOM 133 CB THR A 10 -11.000 -10.723 0.874 1.00 0.01 C ATOM 134 OG1 THR A 10 -11.408 -11.936 0.269 1.00 34.44 O ATOM 135 CG2 THR A 10 -9.580 -10.434 0.401 1.00 21.15 C ATOM 0 H THR A 10 -12.851 -11.769 1.942 1.00 74.25 H new ATOM 0 HA THR A 10 -10.229 -11.347 2.793 1.00 13.54 H new ATOM 0 HB THR A 10 -11.668 -9.914 0.579 1.00 0.01 H new ATOM 0 HG1 THR A 10 -11.343 -11.853 -0.705 1.00 34.44 H new ATOM 0 HG21 THR A 10 -9.561 -10.392 -0.688 1.00 21.15 H new ATOM 0 HG22 THR A 10 -9.249 -9.478 0.807 1.00 21.15 H new ATOM 0 HG23 THR A 10 -8.914 -11.225 0.745 1.00 21.15 H new ATOM 143 N PHE A 11 -12.150 -8.682 3.053 1.00 2.31 N ATOM 144 CA PHE A 11 -12.290 -7.348 3.616 1.00 54.43 C ATOM 145 C PHE A 11 -11.867 -7.349 5.085 1.00 2.41 C ATOM 146 O PHE A 11 -11.045 -6.534 5.498 1.00 32.02 O ATOM 147 CB PHE A 11 -13.737 -6.864 3.435 1.00 25.32 C ATOM 148 CG PHE A 11 -13.917 -5.363 3.543 1.00 64.11 C ATOM 149 CD1 PHE A 11 -13.644 -4.544 2.430 1.00 71.24 C ATOM 150 CD2 PHE A 11 -14.402 -4.788 4.731 1.00 32.05 C ATOM 151 CE1 PHE A 11 -13.836 -3.153 2.513 1.00 72.32 C ATOM 152 CE2 PHE A 11 -14.603 -3.398 4.808 1.00 20.31 C ATOM 153 CZ PHE A 11 -14.313 -2.580 3.704 1.00 65.24 C ATOM 0 H PHE A 11 -13.023 -9.037 2.664 1.00 2.31 H new ATOM 0 HA PHE A 11 -11.635 -6.654 3.090 1.00 54.43 H new ATOM 0 HB2 PHE A 11 -14.096 -7.191 2.459 1.00 25.32 H new ATOM 0 HB3 PHE A 11 -14.364 -7.347 4.184 1.00 25.32 H new ATOM 0 HD1 PHE A 11 -13.287 -4.985 1.511 1.00 71.24 H new ATOM 0 HD2 PHE A 11 -14.620 -5.413 5.584 1.00 32.05 H new ATOM 0 HE1 PHE A 11 -13.617 -2.526 1.662 1.00 72.32 H new ATOM 0 HE2 PHE A 11 -14.982 -2.958 5.719 1.00 20.31 H new ATOM 0 HZ PHE A 11 -14.456 -1.512 3.770 1.00 65.24 H new ATOM 163 N SER A 12 -12.377 -8.292 5.872 1.00 52.41 N ATOM 164 CA SER A 12 -12.066 -8.367 7.290 1.00 3.30 C ATOM 165 C SER A 12 -10.618 -8.815 7.501 1.00 51.11 C ATOM 166 O SER A 12 -9.977 -8.343 8.445 1.00 3.04 O ATOM 167 CB SER A 12 -13.088 -9.267 7.989 1.00 34.53 C ATOM 168 OG SER A 12 -14.345 -8.608 7.976 1.00 33.32 O ATOM 0 H SER A 12 -13.013 -9.019 5.545 1.00 52.41 H new ATOM 0 HA SER A 12 -12.143 -7.379 7.744 1.00 3.30 H new ATOM 0 HB2 SER A 12 -13.158 -10.228 7.480 1.00 34.53 H new ATOM 0 HB3 SER A 12 -12.777 -9.471 9.014 1.00 34.53 H new ATOM 0 HG SER A 12 -15.014 -9.171 8.419 1.00 33.32 H new ATOM 174 N ILE A 13 -10.067 -9.647 6.605 1.00 45.32 N ATOM 175 CA ILE A 13 -8.646 -9.993 6.684 1.00 14.50 C ATOM 176 C ILE A 13 -7.769 -8.729 6.507 1.00 34.12 C ATOM 177 O ILE A 13 -6.962 -8.419 7.393 1.00 34.35 O ATOM 178 CB ILE A 13 -8.278 -11.116 5.688 1.00 15.23 C ATOM 179 CG1 ILE A 13 -9.169 -12.381 5.666 1.00 24.34 C ATOM 180 CG2 ILE A 13 -6.844 -11.598 5.968 1.00 52.31 C ATOM 181 CD1 ILE A 13 -9.739 -12.839 7.009 1.00 3.22 C ATOM 0 H ILE A 13 -10.573 -10.083 5.834 1.00 45.32 H new ATOM 0 HA ILE A 13 -8.443 -10.392 7.678 1.00 14.50 H new ATOM 0 HB ILE A 13 -8.419 -10.635 4.720 1.00 15.23 H new ATOM 0 HG12 ILE A 13 -10.002 -12.200 4.986 1.00 24.34 H new ATOM 0 HG13 ILE A 13 -8.587 -13.201 5.245 1.00 24.34 H new ATOM 0 HG21 ILE A 13 -6.583 -12.390 5.266 1.00 52.31 H new ATOM 0 HG22 ILE A 13 -6.151 -10.765 5.850 1.00 52.31 H new ATOM 0 HG23 ILE A 13 -6.781 -11.980 6.987 1.00 52.31 H new ATOM 0 HD11 ILE A 13 -10.345 -13.733 6.861 1.00 3.22 H new ATOM 0 HD12 ILE A 13 -8.921 -13.064 7.694 1.00 3.22 H new ATOM 0 HD13 ILE A 13 -10.358 -12.047 7.431 1.00 3.22 H new ATOM 193 N CYS A 14 -7.917 -7.978 5.402 1.00 42.43 N ATOM 194 CA CYS A 14 -7.181 -6.715 5.249 1.00 71.02 C ATOM 195 C CYS A 14 -7.332 -5.735 6.399 1.00 75.44 C ATOM 196 O CYS A 14 -6.335 -5.125 6.764 1.00 53.24 O ATOM 197 CB CYS A 14 -7.376 -5.987 3.915 1.00 61.45 C ATOM 198 SG CYS A 14 -9.082 -5.958 3.320 1.00 44.54 S ATOM 0 H CYS A 14 -8.525 -8.217 4.619 1.00 42.43 H new ATOM 0 HA CYS A 14 -6.155 -7.083 5.262 1.00 71.02 H new ATOM 0 HB2 CYS A 14 -7.024 -4.961 4.021 1.00 61.45 H new ATOM 0 HB3 CYS A 14 -6.749 -6.463 3.161 1.00 61.45 H new ATOM 0 HG CYS A 14 -9.352 -4.783 2.834 1.00 44.54 H new ATOM 204 N LYS A 15 -8.529 -5.559 6.956 1.00 61.20 N ATOM 205 CA LYS A 15 -8.703 -4.642 8.086 1.00 71.41 C ATOM 206 C LYS A 15 -7.752 -4.981 9.233 1.00 64.32 C ATOM 207 O LYS A 15 -7.136 -4.069 9.788 1.00 53.44 O ATOM 208 CB LYS A 15 -10.160 -4.613 8.559 1.00 2.12 C ATOM 209 CG LYS A 15 -11.067 -3.933 7.523 1.00 72.43 C ATOM 210 CD LYS A 15 -12.543 -3.978 7.945 1.00 54.23 C ATOM 211 CE LYS A 15 -12.951 -2.685 8.651 1.00 22.04 C ATOM 212 NZ LYS A 15 -13.010 -1.540 7.717 1.00 53.52 N1+ ATOM 0 H LYS A 15 -9.381 -6.030 6.651 1.00 61.20 H new ATOM 0 HA LYS A 15 -8.449 -3.641 7.738 1.00 71.41 H new ATOM 0 HB2 LYS A 15 -10.507 -5.631 8.738 1.00 2.12 H new ATOM 0 HB3 LYS A 15 -10.226 -4.082 9.509 1.00 2.12 H new ATOM 0 HG2 LYS A 15 -10.757 -2.896 7.393 1.00 72.43 H new ATOM 0 HG3 LYS A 15 -10.949 -4.425 6.557 1.00 72.43 H new ATOM 0 HD2 LYS A 15 -13.171 -4.131 7.068 1.00 54.23 H new ATOM 0 HD3 LYS A 15 -12.710 -4.827 8.608 1.00 54.23 H new ATOM 0 HE2 LYS A 15 -13.925 -2.820 9.121 1.00 22.04 H new ATOM 0 HE3 LYS A 15 -12.240 -2.467 9.448 1.00 22.04 H new ATOM 0 HZ1 LYS A 15 -13.610 -0.793 8.121 1.00 53.52 H new ATOM 0 HZ2 LYS A 15 -12.051 -1.168 7.563 1.00 53.52 H new ATOM 0 HZ3 LYS A 15 -13.410 -1.853 6.809 1.00 53.52 H new ATOM 226 N GLU A 16 -7.573 -6.266 9.549 1.00 32.01 N ATOM 227 CA GLU A 16 -6.581 -6.687 10.533 1.00 34.41 C ATOM 228 C GLU A 16 -5.161 -6.404 10.040 1.00 35.03 C ATOM 229 O GLU A 16 -4.353 -5.876 10.800 1.00 3.44 O ATOM 230 CB GLU A 16 -6.754 -8.175 10.877 1.00 11.31 C ATOM 231 CG GLU A 16 -7.848 -8.396 11.925 1.00 11.31 C ATOM 232 CD GLU A 16 -7.395 -7.954 13.322 1.00 44.31 C ATOM 233 OE1 GLU A 16 -7.575 -6.754 13.665 1.00 73.22 O ATOM 234 OE2 GLU A 16 -6.867 -8.789 14.091 1.00 55.10 O1- ATOM 0 H GLU A 16 -8.105 -7.032 9.135 1.00 32.01 H new ATOM 0 HA GLU A 16 -6.741 -6.106 11.441 1.00 34.41 H new ATOM 0 HB2 GLU A 16 -7.001 -8.730 9.972 1.00 11.31 H new ATOM 0 HB3 GLU A 16 -5.810 -8.574 11.248 1.00 11.31 H new ATOM 0 HG2 GLU A 16 -8.742 -7.841 11.640 1.00 11.31 H new ATOM 0 HG3 GLU A 16 -8.122 -9.451 11.948 1.00 11.31 H new ATOM 241 N ARG A 17 -4.829 -6.726 8.784 1.00 63.14 N ATOM 242 CA ARG A 17 -3.437 -6.565 8.331 1.00 23.14 C ATOM 243 C ARG A 17 -3.026 -5.092 8.250 1.00 53.13 C ATOM 244 O ARG A 17 -1.873 -4.759 8.526 1.00 22.52 O ATOM 245 CB ARG A 17 -3.178 -7.302 7.004 1.00 51.25 C ATOM 246 CG ARG A 17 -2.732 -8.758 7.225 1.00 12.51 C ATOM 247 CD ARG A 17 -3.851 -9.606 7.820 1.00 23.13 C ATOM 248 NE ARG A 17 -3.457 -10.998 8.092 1.00 4.42 N ATOM 249 CZ ARG A 17 -4.223 -11.851 8.782 1.00 41.23 C ATOM 250 NH1 ARG A 17 -5.392 -11.432 9.263 1.00 10.31 N1+ ATOM 251 NH2 ARG A 17 -3.840 -13.105 8.983 1.00 54.34 N ATOM 0 H ARG A 17 -5.476 -7.087 8.083 1.00 63.14 H new ATOM 0 HA ARG A 17 -2.804 -7.030 9.087 1.00 23.14 H new ATOM 0 HB2 ARG A 17 -4.085 -7.289 6.400 1.00 51.25 H new ATOM 0 HB3 ARG A 17 -2.412 -6.771 6.439 1.00 51.25 H new ATOM 0 HG2 ARG A 17 -2.414 -9.189 6.276 1.00 12.51 H new ATOM 0 HG3 ARG A 17 -1.868 -8.777 7.889 1.00 12.51 H new ATOM 0 HD2 ARG A 17 -4.190 -9.146 8.748 1.00 23.13 H new ATOM 0 HD3 ARG A 17 -4.699 -9.605 7.135 1.00 23.13 H new ATOM 0 HE ARG A 17 -2.559 -11.327 7.738 1.00 4.42 H new ATOM 0 HH11 ARG A 17 -5.694 -10.471 9.104 1.00 10.31 H new ATOM 0 HH12 ARG A 17 -5.985 -12.072 9.791 1.00 10.31 H new ATOM 0 HH21 ARG A 17 -2.949 -13.432 8.609 1.00 54.34 H new ATOM 0 HH22 ARG A 17 -4.436 -13.742 9.511 1.00 54.34 H new ATOM 265 N MET A 18 -3.955 -4.189 7.957 1.00 71.35 N ATOM 266 CA MET A 18 -3.743 -2.747 7.908 1.00 21.12 C ATOM 267 C MET A 18 -3.838 -2.089 9.298 1.00 10.24 C ATOM 268 O MET A 18 -4.001 -0.874 9.380 1.00 60.01 O ATOM 269 CB MET A 18 -4.743 -2.130 6.907 1.00 35.41 C ATOM 270 CG MET A 18 -4.106 -1.918 5.529 1.00 63.51 C ATOM 271 SD MET A 18 -3.681 -3.417 4.617 1.00 62.02 S ATOM 272 CE MET A 18 -1.920 -3.079 4.346 1.00 72.55 C ATOM 0 H MET A 18 -4.916 -4.452 7.738 1.00 71.35 H new ATOM 0 HA MET A 18 -2.726 -2.554 7.566 1.00 21.12 H new ATOM 0 HB2 MET A 18 -5.611 -2.782 6.810 1.00 35.41 H new ATOM 0 HB3 MET A 18 -5.103 -1.176 7.293 1.00 35.41 H new ATOM 0 HG2 MET A 18 -4.791 -1.328 4.920 1.00 63.51 H new ATOM 0 HG3 MET A 18 -3.201 -1.324 5.656 1.00 63.51 H new ATOM 0 HE1 MET A 18 -1.407 -4.005 4.087 1.00 72.55 H new ATOM 0 HE2 MET A 18 -1.808 -2.363 3.532 1.00 72.55 H new ATOM 0 HE3 MET A 18 -1.485 -2.665 5.256 1.00 72.55 H new ATOM 282 N ARG A 19 -3.749 -2.834 10.404 1.00 70.53 N ATOM 283 CA ARG A 19 -3.825 -2.296 11.762 1.00 32.31 C ATOM 284 C ARG A 19 -2.659 -1.353 12.017 1.00 1.35 C ATOM 285 O ARG A 19 -2.912 -0.226 12.437 1.00 33.22 O ATOM 286 CB ARG A 19 -3.844 -3.425 12.814 1.00 55.31 C ATOM 287 CG ARG A 19 -5.254 -3.832 13.269 1.00 70.22 C ATOM 288 CD ARG A 19 -5.765 -2.803 14.283 1.00 11.33 C ATOM 289 NE ARG A 19 -7.051 -3.185 14.877 1.00 22.22 N ATOM 290 CZ ARG A 19 -7.559 -2.705 16.017 1.00 44.22 C ATOM 291 NH1 ARG A 19 -6.957 -1.707 16.656 1.00 3.14 N1+ ATOM 292 NH2 ARG A 19 -8.676 -3.231 16.504 1.00 44.53 N ATOM 0 H ARG A 19 -3.620 -3.845 10.378 1.00 70.53 H new ATOM 0 HA ARG A 19 -4.759 -1.741 11.854 1.00 32.31 H new ATOM 0 HB2 ARG A 19 -3.340 -4.299 12.403 1.00 55.31 H new ATOM 0 HB3 ARG A 19 -3.270 -3.106 13.684 1.00 55.31 H new ATOM 0 HG2 ARG A 19 -5.926 -3.883 12.413 1.00 70.22 H new ATOM 0 HG3 ARG A 19 -5.233 -4.825 13.718 1.00 70.22 H new ATOM 0 HD2 ARG A 19 -5.026 -2.681 15.075 1.00 11.33 H new ATOM 0 HD3 ARG A 19 -5.869 -1.836 13.792 1.00 11.33 H new ATOM 0 HE ARG A 19 -7.607 -3.878 14.376 1.00 22.22 H new ATOM 0 HH11 ARG A 19 -6.101 -1.302 16.277 1.00 3.14 H new ATOM 0 HH12 ARG A 19 -7.351 -1.347 17.525 1.00 3.14 H new ATOM 0 HH21 ARG A 19 -9.138 -3.994 16.009 1.00 44.53 H new ATOM 0 HH22 ARG A 19 -9.072 -2.872 17.373 1.00 44.53 H new ATOM 306 N PRO A 20 -1.402 -1.750 11.750 1.00 55.23 N ATOM 307 CA PRO A 20 -0.269 -0.876 11.989 1.00 5.31 C ATOM 308 C PRO A 20 -0.392 0.440 11.215 1.00 5.24 C ATOM 309 O PRO A 20 -0.252 1.524 11.786 1.00 22.40 O ATOM 310 CB PRO A 20 0.949 -1.712 11.595 1.00 24.21 C ATOM 311 CG PRO A 20 0.433 -2.839 10.721 1.00 41.52 C ATOM 312 CD PRO A 20 -0.923 -3.071 11.342 1.00 62.13 C ATOM 0 HA PRO A 20 -0.197 -0.551 13.027 1.00 5.31 H new ATOM 0 HB2 PRO A 20 1.678 -1.106 11.057 1.00 24.21 H new ATOM 0 HB3 PRO A 20 1.452 -2.105 12.478 1.00 24.21 H new ATOM 0 HG2 PRO A 20 0.365 -2.552 9.672 1.00 41.52 H new ATOM 0 HG3 PRO A 20 1.067 -3.724 10.768 1.00 41.52 H new ATOM 0 HD2 PRO A 20 -1.606 -3.532 10.629 1.00 62.13 H new ATOM 0 HD3 PRO A 20 -0.852 -3.743 12.197 1.00 62.13 H new ATOM 320 N VAL A 21 -0.702 0.360 9.923 1.00 53.43 N ATOM 321 CA VAL A 21 -0.573 1.474 8.986 1.00 65.33 C ATOM 322 C VAL A 21 -1.799 2.405 8.941 1.00 34.13 C ATOM 323 O VAL A 21 -1.898 3.239 8.041 1.00 65.24 O ATOM 324 CB VAL A 21 -0.139 0.935 7.606 1.00 4.30 C ATOM 325 CG1 VAL A 21 1.337 0.519 7.672 1.00 52.03 C ATOM 326 CG2 VAL A 21 -0.963 -0.261 7.103 1.00 41.14 C ATOM 0 H VAL A 21 -1.055 -0.494 9.491 1.00 53.43 H new ATOM 0 HA VAL A 21 0.213 2.134 9.353 1.00 65.33 H new ATOM 0 HB VAL A 21 -0.307 1.747 6.899 1.00 4.30 H new ATOM 0 HG11 VAL A 21 1.651 0.137 6.701 1.00 52.03 H new ATOM 0 HG12 VAL A 21 1.947 1.383 7.937 1.00 52.03 H new ATOM 0 HG13 VAL A 21 1.463 -0.259 8.425 1.00 52.03 H new ATOM 0 HG21 VAL A 21 -0.591 -0.575 6.128 1.00 41.14 H new ATOM 0 HG22 VAL A 21 -0.874 -1.087 7.809 1.00 41.14 H new ATOM 0 HG23 VAL A 21 -2.010 0.030 7.015 1.00 41.14 H new ATOM 336 N LYS A 22 -2.727 2.311 9.904 1.00 4.01 N ATOM 337 CA LYS A 22 -3.964 3.103 9.924 1.00 52.15 C ATOM 338 C LYS A 22 -3.738 4.590 9.651 1.00 32.24 C ATOM 339 O LYS A 22 -4.446 5.149 8.812 1.00 35.14 O ATOM 340 CB LYS A 22 -4.695 2.931 11.265 1.00 14.31 C ATOM 341 CG LYS A 22 -5.504 1.629 11.359 1.00 51.24 C ATOM 342 CD LYS A 22 -5.782 1.242 12.816 1.00 4.42 C ATOM 343 CE LYS A 22 -6.653 2.252 13.572 1.00 30.13 C ATOM 344 NZ LYS A 22 -6.446 2.154 15.033 1.00 62.13 N1+ ATOM 0 H LYS A 22 -2.639 1.677 10.698 1.00 4.01 H new ATOM 0 HA LYS A 22 -4.579 2.718 9.110 1.00 52.15 H new ATOM 0 HB2 LYS A 22 -3.964 2.955 12.074 1.00 14.31 H new ATOM 0 HB3 LYS A 22 -5.365 3.777 11.416 1.00 14.31 H new ATOM 0 HG2 LYS A 22 -6.448 1.747 10.827 1.00 51.24 H new ATOM 0 HG3 LYS A 22 -4.958 0.824 10.866 1.00 51.24 H new ATOM 0 HD2 LYS A 22 -6.272 0.268 12.836 1.00 4.42 H new ATOM 0 HD3 LYS A 22 -4.833 1.132 13.340 1.00 4.42 H new ATOM 0 HE2 LYS A 22 -6.417 3.262 13.236 1.00 30.13 H new ATOM 0 HE3 LYS A 22 -7.703 2.076 13.339 1.00 30.13 H new ATOM 0 HZ1 LYS A 22 -7.049 2.850 15.517 1.00 62.13 H new ATOM 0 HZ2 LYS A 22 -6.695 1.197 15.355 1.00 62.13 H new ATOM 0 HZ3 LYS A 22 -5.449 2.346 15.256 1.00 62.13 H new ATOM 358 N ALA A 23 -2.783 5.232 10.334 1.00 3.10 N ATOM 359 CA ALA A 23 -2.535 6.657 10.131 1.00 60.23 C ATOM 360 C ALA A 23 -2.108 6.929 8.690 1.00 22.25 C ATOM 361 O ALA A 23 -2.607 7.874 8.090 1.00 61.41 O ATOM 362 CB ALA A 23 -1.493 7.201 11.117 1.00 13.54 C ATOM 0 H ALA A 23 -2.177 4.789 11.025 1.00 3.10 H new ATOM 0 HA ALA A 23 -3.471 7.182 10.323 1.00 60.23 H new ATOM 0 HB1 ALA A 23 -1.338 8.264 10.932 1.00 13.54 H new ATOM 0 HB2 ALA A 23 -1.848 7.058 12.138 1.00 13.54 H new ATOM 0 HB3 ALA A 23 -0.552 6.668 10.983 1.00 13.54 H new ATOM 368 N ALA A 24 -1.223 6.103 8.122 1.00 33.30 N ATOM 369 CA ALA A 24 -0.720 6.297 6.766 1.00 54.32 C ATOM 370 C ALA A 24 -1.861 6.216 5.755 1.00 25.33 C ATOM 371 O ALA A 24 -1.901 7.013 4.823 1.00 41.25 O ATOM 372 CB ALA A 24 0.383 5.279 6.437 1.00 1.31 C ATOM 0 H ALA A 24 -0.838 5.284 8.592 1.00 33.30 H new ATOM 0 HA ALA A 24 -0.281 7.293 6.704 1.00 54.32 H new ATOM 0 HB1 ALA A 24 0.740 5.446 5.421 1.00 1.31 H new ATOM 0 HB2 ALA A 24 1.210 5.400 7.137 1.00 1.31 H new ATOM 0 HB3 ALA A 24 -0.018 4.269 6.520 1.00 1.31 H new ATOM 378 N LEU A 25 -2.787 5.272 5.953 1.00 62.25 N ATOM 379 CA LEU A 25 -3.975 5.141 5.113 1.00 63.42 C ATOM 380 C LEU A 25 -4.792 6.425 5.221 1.00 64.02 C ATOM 381 O LEU A 25 -5.046 7.080 4.219 1.00 34.33 O ATOM 382 CB LEU A 25 -4.818 3.918 5.518 1.00 1.32 C ATOM 383 CG LEU A 25 -4.068 2.579 5.416 1.00 2.24 C ATOM 384 CD1 LEU A 25 -4.849 1.477 6.132 1.00 2.21 C ATOM 385 CD2 LEU A 25 -3.817 2.147 3.970 1.00 60.44 C ATOM 0 H LEU A 25 -2.731 4.580 6.700 1.00 62.25 H new ATOM 0 HA LEU A 25 -3.668 4.985 4.079 1.00 63.42 H new ATOM 0 HB2 LEU A 25 -5.164 4.052 6.543 1.00 1.32 H new ATOM 0 HB3 LEU A 25 -5.705 3.875 4.885 1.00 1.32 H new ATOM 0 HG LEU A 25 -3.100 2.733 5.892 1.00 2.24 H new ATOM 0 HD11 LEU A 25 -4.306 0.535 6.051 1.00 2.21 H new ATOM 0 HD12 LEU A 25 -4.967 1.739 7.183 1.00 2.21 H new ATOM 0 HD13 LEU A 25 -5.832 1.370 5.672 1.00 2.21 H new ATOM 0 HD21 LEU A 25 -3.285 1.196 3.962 1.00 60.44 H new ATOM 0 HD22 LEU A 25 -4.770 2.034 3.453 1.00 60.44 H new ATOM 0 HD23 LEU A 25 -3.217 2.903 3.463 1.00 60.44 H new ATOM 397 N LYS A 26 -5.185 6.816 6.437 1.00 54.00 N ATOM 398 CA LYS A 26 -6.015 7.998 6.666 1.00 74.52 C ATOM 399 C LYS A 26 -5.377 9.284 6.118 1.00 13.22 C ATOM 400 O LYS A 26 -6.093 10.196 5.710 1.00 65.43 O ATOM 401 CB LYS A 26 -6.277 8.139 8.171 1.00 21.25 C ATOM 402 CG LYS A 26 -7.602 7.481 8.590 1.00 45.03 C ATOM 403 CD LYS A 26 -8.861 8.292 8.226 1.00 54.44 C ATOM 404 CE LYS A 26 -9.028 9.500 9.154 1.00 30.32 C ATOM 405 NZ LYS A 26 -10.384 10.079 9.072 1.00 3.34 N1+ ATOM 0 H LYS A 26 -4.935 6.319 7.292 1.00 54.00 H new ATOM 0 HA LYS A 26 -6.952 7.859 6.126 1.00 74.52 H new ATOM 0 HB2 LYS A 26 -5.456 7.685 8.726 1.00 21.25 H new ATOM 0 HB3 LYS A 26 -6.297 9.196 8.438 1.00 21.25 H new ATOM 0 HG2 LYS A 26 -7.670 6.499 8.122 1.00 45.03 H new ATOM 0 HG3 LYS A 26 -7.588 7.320 9.668 1.00 45.03 H new ATOM 0 HD2 LYS A 26 -8.793 8.631 7.192 1.00 54.44 H new ATOM 0 HD3 LYS A 26 -9.741 7.653 8.294 1.00 54.44 H new ATOM 0 HE2 LYS A 26 -8.824 9.198 10.181 1.00 30.32 H new ATOM 0 HE3 LYS A 26 -8.293 10.261 8.894 1.00 30.32 H new ATOM 0 HZ1 LYS A 26 -10.453 10.893 9.715 1.00 3.34 H new ATOM 0 HZ2 LYS A 26 -10.570 10.391 8.097 1.00 3.34 H new ATOM 0 HZ3 LYS A 26 -11.085 9.361 9.345 1.00 3.34 H new ATOM 419 N GLN A 27 -4.052 9.385 6.164 1.00 44.31 N ATOM 420 CA GLN A 27 -3.271 10.517 5.669 1.00 45.20 C ATOM 421 C GLN A 27 -3.214 10.600 4.142 1.00 75.11 C ATOM 422 O GLN A 27 -2.801 11.642 3.632 1.00 3.23 O ATOM 423 CB GLN A 27 -1.849 10.457 6.251 1.00 63.33 C ATOM 424 CG GLN A 27 -1.814 10.893 7.725 1.00 62.13 C ATOM 425 CD GLN A 27 -1.794 12.411 7.916 1.00 71.01 C ATOM 426 OE1 GLN A 27 -2.167 13.195 7.042 1.00 33.44 O ATOM 427 NE2 GLN A 27 -1.372 12.867 9.082 1.00 1.20 N ATOM 0 H GLN A 27 -3.468 8.651 6.564 1.00 44.31 H new ATOM 0 HA GLN A 27 -3.780 11.421 6.003 1.00 45.20 H new ATOM 0 HB2 GLN A 27 -1.464 9.441 6.164 1.00 63.33 H new ATOM 0 HB3 GLN A 27 -1.190 11.099 5.667 1.00 63.33 H new ATOM 0 HG2 GLN A 27 -2.684 10.483 8.237 1.00 62.13 H new ATOM 0 HG3 GLN A 27 -0.932 10.464 8.201 1.00 62.13 H new ATOM 0 HE21 GLN A 27 -1.064 12.215 9.803 1.00 1.20 H new ATOM 0 HE22 GLN A 27 -1.354 13.871 9.261 1.00 1.20 H new ATOM 436 N LEU A 28 -3.618 9.559 3.406 1.00 32.11 N ATOM 437 CA LEU A 28 -3.746 9.597 1.956 1.00 1.43 C ATOM 438 C LEU A 28 -5.197 9.458 1.497 1.00 13.42 C ATOM 439 O LEU A 28 -5.499 9.805 0.350 1.00 2.11 O ATOM 440 CB LEU A 28 -2.817 8.554 1.304 1.00 33.02 C ATOM 441 CG LEU A 28 -1.438 9.096 0.870 1.00 3.21 C ATOM 442 CD1 LEU A 28 -1.524 10.345 -0.014 1.00 34.30 C ATOM 443 CD2 LEU A 28 -0.509 9.336 2.066 1.00 62.12 C ATOM 0 H LEU A 28 -3.867 8.657 3.812 1.00 32.11 H new ATOM 0 HA LEU A 28 -3.425 10.582 1.618 1.00 1.43 H new ATOM 0 HB2 LEU A 28 -2.665 7.734 2.006 1.00 33.02 H new ATOM 0 HB3 LEU A 28 -3.319 8.137 0.431 1.00 33.02 H new ATOM 0 HG LEU A 28 -1.002 8.308 0.255 1.00 3.21 H new ATOM 0 HD11 LEU A 28 -0.519 10.671 -0.281 1.00 34.30 H new ATOM 0 HD12 LEU A 28 -2.083 10.112 -0.920 1.00 34.30 H new ATOM 0 HD13 LEU A 28 -2.031 11.142 0.530 1.00 34.30 H new ATOM 0 HD21 LEU A 28 0.449 9.717 1.712 1.00 62.12 H new ATOM 0 HD22 LEU A 28 -0.963 10.064 2.739 1.00 62.12 H new ATOM 0 HD23 LEU A 28 -0.352 8.398 2.599 1.00 62.12 H new ATOM 455 N ASP A 29 -6.074 9.018 2.398 1.00 4.35 N ATOM 456 CA ASP A 29 -7.522 8.933 2.269 1.00 23.20 C ATOM 457 C ASP A 29 -8.097 10.327 2.121 1.00 70.54 C ATOM 458 O ASP A 29 -8.609 10.657 1.054 1.00 54.23 O ATOM 459 CB ASP A 29 -8.080 8.189 3.488 1.00 44.14 C ATOM 460 CG ASP A 29 -9.596 8.011 3.496 1.00 22.52 C ATOM 461 OD1 ASP A 29 -10.191 7.771 2.428 1.00 42.44 O ATOM 462 OD2 ASP A 29 -10.170 8.030 4.612 1.00 31.42 O1- ATOM 0 H ASP A 29 -5.761 8.685 3.310 1.00 4.35 H new ATOM 0 HA ASP A 29 -7.807 8.374 1.378 1.00 23.20 H new ATOM 0 HB2 ASP A 29 -7.613 7.205 3.539 1.00 44.14 H new ATOM 0 HB3 ASP A 29 -7.788 8.728 4.389 1.00 44.14 H new ATOM 467 N ARG A 30 -7.965 11.184 3.140 1.00 1.15 N ATOM 468 CA ARG A 30 -8.364 12.582 3.010 1.00 60.23 C ATOM 469 C ARG A 30 -7.495 13.468 3.909 1.00 21.12 C ATOM 470 O ARG A 30 -7.879 13.731 5.053 1.00 42.23 O ATOM 471 CB ARG A 30 -9.871 12.729 3.272 1.00 12.30 C ATOM 472 CG ARG A 30 -10.386 14.013 2.609 1.00 32.22 C ATOM 473 CD ARG A 30 -11.844 14.259 2.986 1.00 61.42 C ATOM 474 NE ARG A 30 -11.953 14.774 4.359 1.00 74.33 N ATOM 475 CZ ARG A 30 -13.074 14.814 5.078 1.00 54.25 C ATOM 476 NH1 ARG A 30 -14.101 14.028 4.776 1.00 2.44 N1+ ATOM 477 NH2 ARG A 30 -13.134 15.649 6.103 1.00 42.22 N ATOM 0 H ARG A 30 -7.588 10.933 4.054 1.00 1.15 H new ATOM 0 HA ARG A 30 -8.195 12.925 1.989 1.00 60.23 H new ATOM 0 HB2 ARG A 30 -10.405 11.865 2.877 1.00 12.30 H new ATOM 0 HB3 ARG A 30 -10.063 12.760 4.345 1.00 12.30 H new ATOM 0 HG2 ARG A 30 -9.775 14.861 2.920 1.00 32.22 H new ATOM 0 HG3 ARG A 30 -10.292 13.933 1.526 1.00 32.22 H new ATOM 0 HD2 ARG A 30 -12.288 14.971 2.290 1.00 61.42 H new ATOM 0 HD3 ARG A 30 -12.408 13.331 2.896 1.00 61.42 H new ATOM 0 HE ARG A 30 -11.102 15.129 4.796 1.00 74.33 H new ATOM 0 HH11 ARG A 30 -14.036 13.385 3.987 1.00 2.44 H new ATOM 0 HH12 ARG A 30 -14.954 14.067 5.333 1.00 2.44 H new ATOM 0 HH21 ARG A 30 -12.334 16.242 6.326 1.00 42.22 H new ATOM 0 HH22 ARG A 30 -13.980 15.700 6.670 1.00 42.22 H new ATOM 491 N PRO A 31 -6.309 13.887 3.440 1.00 42.22 N ATOM 492 CA PRO A 31 -5.439 14.762 4.211 1.00 54.35 C ATOM 493 C PRO A 31 -6.007 16.177 4.337 1.00 4.11 C ATOM 494 O PRO A 31 -6.859 16.598 3.549 1.00 74.21 O ATOM 495 CB PRO A 31 -4.109 14.784 3.460 1.00 32.13 C ATOM 496 CG PRO A 31 -4.478 14.435 2.019 1.00 42.02 C ATOM 497 CD PRO A 31 -5.688 13.520 2.174 1.00 44.54 C ATOM 0 HA PRO A 31 -5.332 14.395 5.232 1.00 54.35 H new ATOM 0 HB2 PRO A 31 -3.634 15.763 3.522 1.00 32.13 H new ATOM 0 HB3 PRO A 31 -3.406 14.062 3.876 1.00 32.13 H new ATOM 0 HG2 PRO A 31 -4.720 15.326 1.439 1.00 42.02 H new ATOM 0 HG3 PRO A 31 -3.658 13.933 1.505 1.00 42.02 H new ATOM 0 HD2 PRO A 31 -6.384 13.650 1.346 1.00 44.54 H new ATOM 0 HD3 PRO A 31 -5.387 12.472 2.176 1.00 44.54 H new ATOM 505 N GLU A 32 -5.454 16.940 5.286 1.00 1.13 N ATOM 506 CA GLU A 32 -5.745 18.366 5.455 1.00 30.44 C ATOM 507 C GLU A 32 -4.695 19.288 4.847 1.00 4.33 C ATOM 508 O GLU A 32 -4.896 20.493 4.738 1.00 30.13 O ATOM 509 CB GLU A 32 -5.984 18.685 6.938 1.00 33.11 C ATOM 510 CG GLU A 32 -4.725 18.646 7.827 1.00 14.44 C ATOM 511 CD GLU A 32 -5.150 18.510 9.295 1.00 31.31 C ATOM 512 OE1 GLU A 32 -5.459 17.381 9.729 1.00 41.22 O ATOM 513 OE2 GLU A 32 -5.251 19.521 10.036 1.00 23.13 O1- ATOM 0 H GLU A 32 -4.784 16.580 5.966 1.00 1.13 H new ATOM 0 HA GLU A 32 -6.657 18.566 4.893 1.00 30.44 H new ATOM 0 HB2 GLU A 32 -6.432 19.676 7.013 1.00 33.11 H new ATOM 0 HB3 GLU A 32 -6.711 17.976 7.333 1.00 33.11 H new ATOM 0 HG2 GLU A 32 -4.089 17.809 7.541 1.00 14.44 H new ATOM 0 HG3 GLU A 32 -4.138 19.554 7.688 1.00 14.44 H new ATOM 520 N LYS A 33 -3.553 18.723 4.464 1.00 52.24 N ATOM 521 CA LYS A 33 -2.402 19.399 3.863 1.00 32.14 C ATOM 522 C LYS A 33 -1.768 20.498 4.723 1.00 2.41 C ATOM 523 O LYS A 33 -0.739 21.049 4.336 1.00 0.40 O ATOM 524 CB LYS A 33 -2.774 19.899 2.450 1.00 62.42 C ATOM 525 CG LYS A 33 -1.636 19.657 1.450 1.00 63.41 C ATOM 526 CD LYS A 33 -1.927 20.199 0.048 1.00 51.51 C ATOM 527 CE LYS A 33 -1.859 21.728 0.029 1.00 43.22 C ATOM 528 NZ LYS A 33 -2.428 22.281 -1.213 1.00 43.21 N1+ ATOM 0 H LYS A 33 -3.395 17.721 4.570 1.00 52.24 H new ATOM 0 HA LYS A 33 -1.611 18.653 3.790 1.00 32.14 H new ATOM 0 HB2 LYS A 33 -3.675 19.389 2.108 1.00 62.42 H new ATOM 0 HB3 LYS A 33 -3.005 20.963 2.489 1.00 62.42 H new ATOM 0 HG2 LYS A 33 -0.726 20.122 1.829 1.00 63.41 H new ATOM 0 HG3 LYS A 33 -1.443 18.586 1.384 1.00 63.41 H new ATOM 0 HD2 LYS A 33 -1.207 19.790 -0.661 1.00 51.51 H new ATOM 0 HD3 LYS A 33 -2.915 19.871 -0.275 1.00 51.51 H new ATOM 0 HE2 LYS A 33 -2.400 22.127 0.887 1.00 43.22 H new ATOM 0 HE3 LYS A 33 -0.822 22.048 0.129 1.00 43.22 H new ATOM 0 HZ1 LYS A 33 -2.365 23.319 -1.192 1.00 43.21 H new ATOM 0 HZ2 LYS A 33 -1.896 21.919 -2.030 1.00 43.21 H new ATOM 0 HZ3 LYS A 33 -3.425 21.996 -1.295 1.00 43.21 H new ATOM 542 N GLY A 34 -2.323 20.781 5.897 1.00 62.23 N ATOM 543 CA GLY A 34 -2.008 21.907 6.768 1.00 43.33 C ATOM 544 C GLY A 34 -0.783 21.651 7.638 1.00 1.12 C ATOM 545 O GLY A 34 -0.845 21.816 8.860 1.00 35.04 O ATOM 0 H GLY A 34 -3.054 20.189 6.291 1.00 62.23 H new ATOM 0 HA2 GLY A 34 -1.838 22.795 6.160 1.00 43.33 H new ATOM 0 HA3 GLY A 34 -2.865 22.118 7.407 1.00 43.33 H new ATOM 549 N LEU A 35 0.304 21.206 7.010 1.00 20.30 N ATOM 550 CA LEU A 35 1.662 21.177 7.516 1.00 75.01 C ATOM 551 C LEU A 35 2.499 22.055 6.565 1.00 50.32 C ATOM 552 O LEU A 35 1.989 22.590 5.574 1.00 62.14 O ATOM 553 CB LEU A 35 2.213 19.734 7.477 1.00 30.55 C ATOM 554 CG LEU A 35 1.583 18.640 8.364 1.00 75.10 C ATOM 555 CD1 LEU A 35 0.084 18.363 8.156 1.00 74.41 C ATOM 556 CD2 LEU A 35 2.309 17.325 8.053 1.00 10.10 C ATOM 0 H LEU A 35 0.247 20.830 6.064 1.00 20.30 H new ATOM 0 HA LEU A 35 1.701 21.534 8.545 1.00 75.01 H new ATOM 0 HB2 LEU A 35 2.148 19.391 6.445 1.00 30.55 H new ATOM 0 HB3 LEU A 35 3.272 19.785 7.730 1.00 30.55 H new ATOM 0 HG LEU A 35 1.687 19.007 9.385 1.00 75.10 H new ATOM 0 HD11 LEU A 35 -0.238 17.575 8.837 1.00 74.41 H new ATOM 0 HD12 LEU A 35 -0.485 19.271 8.356 1.00 74.41 H new ATOM 0 HD13 LEU A 35 -0.088 18.046 7.127 1.00 74.41 H new ATOM 0 HD21 LEU A 35 1.890 16.525 8.663 1.00 10.10 H new ATOM 0 HD22 LEU A 35 2.183 17.081 6.998 1.00 10.10 H new ATOM 0 HD23 LEU A 35 3.370 17.434 8.276 1.00 10.10 H new ATOM 568 N SER A 36 3.804 22.122 6.795 1.00 13.30 N ATOM 569 CA SER A 36 4.794 22.751 5.938 1.00 21.20 C ATOM 570 C SER A 36 5.067 21.882 4.702 1.00 65.31 C ATOM 571 O SER A 36 4.833 20.674 4.721 1.00 60.15 O ATOM 572 CB SER A 36 6.102 23.017 6.700 1.00 50.44 C ATOM 573 OG SER A 36 5.884 23.475 8.021 1.00 62.23 O ATOM 0 H SER A 36 4.221 21.715 7.632 1.00 13.30 H new ATOM 0 HA SER A 36 4.391 23.710 5.612 1.00 21.20 H new ATOM 0 HB2 SER A 36 6.692 22.101 6.731 1.00 50.44 H new ATOM 0 HB3 SER A 36 6.690 23.757 6.156 1.00 50.44 H new ATOM 0 HG SER A 36 6.746 23.627 8.461 1.00 62.23 H new ATOM 579 N GLU A 37 5.609 22.474 3.640 1.00 43.12 N ATOM 580 CA GLU A 37 5.806 21.815 2.351 1.00 23.33 C ATOM 581 C GLU A 37 6.827 20.680 2.428 1.00 0.42 C ATOM 582 O GLU A 37 6.555 19.574 1.961 1.00 53.05 O ATOM 583 CB GLU A 37 6.271 22.837 1.304 1.00 4.24 C ATOM 584 CG GLU A 37 5.129 23.400 0.454 1.00 51.34 C ATOM 585 CD GLU A 37 5.642 23.674 -0.956 1.00 10.03 C ATOM 586 OE1 GLU A 37 5.594 22.745 -1.789 1.00 20.55 O ATOM 587 OE2 GLU A 37 6.100 24.807 -1.237 1.00 32.52 O1- ATOM 0 H GLU A 37 5.929 23.442 3.651 1.00 43.12 H new ATOM 0 HA GLU A 37 4.846 21.385 2.063 1.00 23.33 H new ATOM 0 HB2 GLU A 37 6.777 23.659 1.810 1.00 4.24 H new ATOM 0 HB3 GLU A 37 7.004 22.367 0.649 1.00 4.24 H new ATOM 0 HG2 GLU A 37 4.301 22.692 0.421 1.00 51.34 H new ATOM 0 HG3 GLU A 37 4.746 24.318 0.900 1.00 51.34 H new ATOM 594 N ARG A 38 8.013 20.947 2.987 1.00 21.15 N ATOM 595 CA ARG A 38 9.083 19.951 3.049 1.00 61.30 C ATOM 596 C ARG A 38 8.602 18.717 3.804 1.00 25.54 C ATOM 597 O ARG A 38 8.907 17.594 3.404 1.00 2.34 O ATOM 598 CB ARG A 38 10.328 20.580 3.698 1.00 12.35 C ATOM 599 CG ARG A 38 11.632 19.841 3.363 1.00 63.40 C ATOM 600 CD ARG A 38 11.995 18.706 4.331 1.00 71.42 C ATOM 601 NE ARG A 38 13.265 18.078 3.928 1.00 64.41 N ATOM 602 CZ ARG A 38 14.154 17.489 4.740 1.00 71.50 C ATOM 603 NH1 ARG A 38 13.937 17.367 6.045 1.00 14.30 N1+ ATOM 604 NH2 ARG A 38 15.270 16.981 4.223 1.00 51.23 N ATOM 0 H ARG A 38 8.254 21.847 3.403 1.00 21.15 H new ATOM 0 HA ARG A 38 9.356 19.629 2.044 1.00 61.30 H new ATOM 0 HB2 ARG A 38 10.413 21.617 3.373 1.00 12.35 H new ATOM 0 HB3 ARG A 38 10.196 20.595 4.780 1.00 12.35 H new ATOM 0 HG2 ARG A 38 11.552 19.430 2.357 1.00 63.40 H new ATOM 0 HG3 ARG A 38 12.449 20.563 3.349 1.00 63.40 H new ATOM 0 HD2 ARG A 38 12.080 19.097 5.345 1.00 71.42 H new ATOM 0 HD3 ARG A 38 11.200 17.960 4.343 1.00 71.42 H new ATOM 0 HE ARG A 38 13.490 18.093 2.933 1.00 64.41 H new ATOM 0 HH11 ARG A 38 13.075 17.727 6.454 1.00 14.30 H new ATOM 0 HH12 ARG A 38 14.633 16.914 6.637 1.00 14.30 H new ATOM 0 HH21 ARG A 38 15.441 17.042 3.219 1.00 51.23 H new ATOM 0 HH22 ARG A 38 15.954 16.530 4.830 1.00 51.23 H new ATOM 618 N GLU A 39 7.830 18.943 4.865 1.00 34.32 N ATOM 619 CA GLU A 39 7.252 17.897 5.682 1.00 22.23 C ATOM 620 C GLU A 39 6.218 17.131 4.871 1.00 4.10 C ATOM 621 O GLU A 39 6.294 15.913 4.850 1.00 34.05 O ATOM 622 CB GLU A 39 6.630 18.466 6.966 1.00 71.25 C ATOM 623 CG GLU A 39 7.548 19.443 7.710 1.00 31.04 C ATOM 624 CD GLU A 39 8.981 18.925 7.926 1.00 75.22 C ATOM 625 OE1 GLU A 39 9.151 17.761 8.358 1.00 73.33 O ATOM 626 OE2 GLU A 39 9.937 19.684 7.645 1.00 14.54 O1- ATOM 0 H GLU A 39 7.588 19.882 5.181 1.00 34.32 H new ATOM 0 HA GLU A 39 8.046 17.214 5.985 1.00 22.23 H new ATOM 0 HB2 GLU A 39 5.699 18.974 6.715 1.00 71.25 H new ATOM 0 HB3 GLU A 39 6.374 17.642 7.632 1.00 71.25 H new ATOM 0 HG2 GLU A 39 7.592 20.378 7.152 1.00 31.04 H new ATOM 0 HG3 GLU A 39 7.106 19.671 8.680 1.00 31.04 H new ATOM 633 N GLN A 40 5.292 17.805 4.171 1.00 75.44 N ATOM 634 CA GLN A 40 4.256 17.165 3.359 1.00 33.21 C ATOM 635 C GLN A 40 4.885 16.148 2.407 1.00 45.12 C ATOM 636 O GLN A 40 4.422 15.009 2.318 1.00 73.12 O ATOM 637 CB GLN A 40 3.486 18.221 2.542 1.00 44.22 C ATOM 638 CG GLN A 40 2.393 18.973 3.308 1.00 34.02 C ATOM 639 CD GLN A 40 1.180 18.088 3.550 1.00 3.44 C ATOM 640 OE1 GLN A 40 0.482 17.702 2.619 1.00 24.20 O ATOM 641 NE2 GLN A 40 0.901 17.713 4.783 1.00 2.34 N ATOM 0 H GLN A 40 5.245 18.824 4.156 1.00 75.44 H new ATOM 0 HA GLN A 40 3.563 16.654 4.028 1.00 33.21 H new ATOM 0 HB2 GLN A 40 4.200 18.947 2.154 1.00 44.22 H new ATOM 0 HB3 GLN A 40 3.031 17.730 1.682 1.00 44.22 H new ATOM 0 HG2 GLN A 40 2.788 19.321 4.262 1.00 34.02 H new ATOM 0 HG3 GLN A 40 2.094 19.857 2.745 1.00 34.02 H new ATOM 0 HE21 GLN A 40 1.482 18.034 5.558 1.00 2.34 H new ATOM 0 HE22 GLN A 40 0.104 17.102 4.962 1.00 2.34 H new ATOM 650 N LEU A 41 5.945 16.571 1.716 1.00 41.12 N ATOM 651 CA LEU A 41 6.703 15.765 0.775 1.00 15.34 C ATOM 652 C LEU A 41 7.149 14.468 1.447 1.00 23.34 C ATOM 653 O LEU A 41 6.825 13.377 0.972 1.00 52.42 O ATOM 654 CB LEU A 41 7.886 16.612 0.260 1.00 21.03 C ATOM 655 CG LEU A 41 8.515 16.186 -1.084 1.00 0.11 C ATOM 656 CD1 LEU A 41 8.971 14.728 -1.132 1.00 22.31 C ATOM 657 CD2 LEU A 41 7.593 16.460 -2.273 1.00 65.33 C ATOM 0 H LEU A 41 6.307 17.520 1.804 1.00 41.12 H new ATOM 0 HA LEU A 41 6.094 15.476 -0.081 1.00 15.34 H new ATOM 0 HB2 LEU A 41 7.549 17.644 0.165 1.00 21.03 H new ATOM 0 HB3 LEU A 41 8.668 16.601 1.020 1.00 21.03 H new ATOM 0 HG LEU A 41 9.405 16.810 -1.161 1.00 0.11 H new ATOM 0 HD11 LEU A 41 9.400 14.513 -2.111 1.00 22.31 H new ATOM 0 HD12 LEU A 41 9.722 14.556 -0.361 1.00 22.31 H new ATOM 0 HD13 LEU A 41 8.117 14.074 -0.959 1.00 22.31 H new ATOM 0 HD21 LEU A 41 8.082 16.142 -3.194 1.00 65.33 H new ATOM 0 HD22 LEU A 41 6.663 15.906 -2.147 1.00 65.33 H new ATOM 0 HD23 LEU A 41 7.376 17.527 -2.327 1.00 65.33 H new ATOM 669 N GLU A 42 7.901 14.566 2.545 1.00 33.24 N ATOM 670 CA GLU A 42 8.442 13.378 3.190 1.00 33.03 C ATOM 671 C GLU A 42 7.338 12.531 3.823 1.00 40.42 C ATOM 672 O GLU A 42 7.433 11.302 3.825 1.00 21.43 O ATOM 673 CB GLU A 42 9.563 13.746 4.168 1.00 30.51 C ATOM 674 CG GLU A 42 9.206 13.930 5.655 1.00 14.32 C ATOM 675 CD GLU A 42 10.484 13.747 6.466 1.00 3.02 C ATOM 676 OE1 GLU A 42 11.321 14.672 6.487 1.00 2.14 O1- ATOM 677 OE2 GLU A 42 10.753 12.591 6.883 1.00 44.20 O ATOM 0 H GLU A 42 8.145 15.447 2.998 1.00 33.24 H new ATOM 0 HA GLU A 42 8.897 12.748 2.425 1.00 33.03 H new ATOM 0 HB2 GLU A 42 10.328 12.972 4.103 1.00 30.51 H new ATOM 0 HB3 GLU A 42 10.018 14.673 3.818 1.00 30.51 H new ATOM 0 HG2 GLU A 42 8.783 14.920 5.827 1.00 14.32 H new ATOM 0 HG3 GLU A 42 8.453 13.204 5.960 1.00 14.32 H new ATOM 684 N HIS A 43 6.289 13.185 4.323 1.00 44.33 N ATOM 685 CA HIS A 43 5.152 12.578 4.988 1.00 44.01 C ATOM 686 C HIS A 43 4.494 11.580 4.048 1.00 54.41 C ATOM 687 O HIS A 43 4.279 10.431 4.440 1.00 14.03 O ATOM 688 CB HIS A 43 4.142 13.654 5.419 1.00 30.04 C ATOM 689 CG HIS A 43 3.157 13.172 6.446 1.00 15.00 C ATOM 690 ND1 HIS A 43 2.407 12.018 6.389 1.00 21.13 N ATOM 691 CD2 HIS A 43 2.955 13.750 7.669 1.00 25.41 C ATOM 692 CE1 HIS A 43 1.772 11.895 7.564 1.00 13.25 C ATOM 693 NE2 HIS A 43 2.094 12.911 8.383 1.00 71.41 N ATOM 0 H HIS A 43 6.212 14.201 4.269 1.00 44.33 H new ATOM 0 HA HIS A 43 5.495 12.059 5.883 1.00 44.01 H new ATOM 0 HB2 HIS A 43 4.684 14.510 5.820 1.00 30.04 H new ATOM 0 HB3 HIS A 43 3.598 14.004 4.541 1.00 30.04 H new ATOM 0 HD2 HIS A 43 3.380 14.679 8.018 1.00 25.41 H new ATOM 0 HE1 HIS A 43 1.096 11.092 7.817 1.00 13.25 H new ATOM 0 HE2 HIS A 43 1.772 13.044 9.342 1.00 71.41 H new ATOM 701 N THR A 44 4.180 12.003 2.817 1.00 62.13 N ATOM 702 CA THR A 44 3.617 11.104 1.823 1.00 71.14 C ATOM 703 C THR A 44 4.561 9.928 1.604 1.00 32.51 C ATOM 704 O THR A 44 4.104 8.787 1.575 1.00 73.14 O ATOM 705 CB THR A 44 3.382 11.849 0.503 1.00 22.00 C ATOM 706 OG1 THR A 44 2.624 13.011 0.728 1.00 22.10 O ATOM 707 CG2 THR A 44 2.637 10.997 -0.523 1.00 62.22 C ATOM 0 H THR A 44 4.309 12.962 2.494 1.00 62.13 H new ATOM 0 HA THR A 44 2.658 10.731 2.183 1.00 71.14 H new ATOM 0 HB THR A 44 4.368 12.094 0.109 1.00 22.00 H new ATOM 0 HG1 THR A 44 3.204 13.716 1.084 1.00 22.10 H new ATOM 0 HG21 THR A 44 2.496 11.571 -1.439 1.00 62.22 H new ATOM 0 HG22 THR A 44 3.217 10.101 -0.742 1.00 62.22 H new ATOM 0 HG23 THR A 44 1.665 10.711 -0.121 1.00 62.22 H new ATOM 715 N ARG A 45 5.869 10.176 1.452 1.00 24.01 N ATOM 716 CA ARG A 45 6.794 9.089 1.154 1.00 72.21 C ATOM 717 C ARG A 45 6.772 8.062 2.268 1.00 64.44 C ATOM 718 O ARG A 45 6.541 6.895 1.960 1.00 71.53 O ATOM 719 CB ARG A 45 8.232 9.560 0.849 1.00 64.22 C ATOM 720 CG ARG A 45 8.445 9.887 -0.637 1.00 11.44 C ATOM 721 CD ARG A 45 7.906 11.271 -1.010 1.00 54.04 C ATOM 722 NE ARG A 45 7.600 11.411 -2.440 1.00 4.24 N ATOM 723 CZ ARG A 45 8.418 11.558 -3.485 1.00 42.41 C ATOM 724 NH1 ARG A 45 9.740 11.583 -3.339 1.00 25.00 N1+ ATOM 725 NH2 ARG A 45 7.865 11.681 -4.687 1.00 0.40 N ATOM 0 H ARG A 45 6.297 11.099 1.529 1.00 24.01 H new ATOM 0 HA ARG A 45 6.443 8.626 0.232 1.00 72.21 H new ATOM 0 HB2 ARG A 45 8.455 10.443 1.447 1.00 64.22 H new ATOM 0 HB3 ARG A 45 8.936 8.784 1.151 1.00 64.22 H new ATOM 0 HG2 ARG A 45 9.509 9.839 -0.868 1.00 11.44 H new ATOM 0 HG3 ARG A 45 7.952 9.131 -1.248 1.00 11.44 H new ATOM 0 HD2 ARG A 45 7.004 11.469 -0.432 1.00 54.04 H new ATOM 0 HD3 ARG A 45 8.639 12.027 -0.727 1.00 54.04 H new ATOM 0 HE ARG A 45 6.607 11.393 -2.671 1.00 4.24 H new ATOM 0 HH11 ARG A 45 10.152 11.489 -2.411 1.00 25.00 H new ATOM 0 HH12 ARG A 45 10.341 11.697 -4.155 1.00 25.00 H new ATOM 0 HH21 ARG A 45 6.850 11.661 -4.786 1.00 0.40 H new ATOM 0 HH22 ARG A 45 8.456 11.795 -5.511 1.00 0.40 H new ATOM 739 N GLN A 46 6.990 8.494 3.509 1.00 54.25 N ATOM 740 CA GLN A 46 7.050 7.639 4.684 1.00 14.35 C ATOM 741 C GLN A 46 5.745 6.862 4.881 1.00 34.32 C ATOM 742 O GLN A 46 5.794 5.668 5.172 1.00 63.33 O ATOM 743 CB GLN A 46 7.378 8.490 5.918 1.00 1.03 C ATOM 744 CG GLN A 46 8.813 9.033 5.976 1.00 71.03 C ATOM 745 CD GLN A 46 9.858 7.945 6.241 1.00 64.21 C ATOM 746 OE1 GLN A 46 10.149 7.124 5.377 1.00 2.51 O ATOM 747 NE2 GLN A 46 10.467 7.919 7.417 1.00 72.22 N ATOM 0 H GLN A 46 7.134 9.480 3.727 1.00 54.25 H new ATOM 0 HA GLN A 46 7.839 6.901 4.539 1.00 14.35 H new ATOM 0 HB2 GLN A 46 6.687 9.332 5.953 1.00 1.03 H new ATOM 0 HB3 GLN A 46 7.197 7.891 6.811 1.00 1.03 H new ATOM 0 HG2 GLN A 46 9.045 9.530 5.034 1.00 71.03 H new ATOM 0 HG3 GLN A 46 8.878 9.789 6.759 1.00 71.03 H new ATOM 0 HE21 GLN A 46 10.223 8.603 8.133 1.00 72.22 H new ATOM 0 HE22 GLN A 46 11.180 7.215 7.606 1.00 72.22 H new ATOM 756 N CYS A 47 4.587 7.499 4.693 1.00 43.24 N ATOM 757 CA CYS A 47 3.305 6.827 4.735 1.00 44.42 C ATOM 758 C CYS A 47 3.244 5.722 3.678 1.00 2.22 C ATOM 759 O CYS A 47 2.992 4.564 4.017 1.00 63.24 O ATOM 760 CB CYS A 47 2.212 7.881 4.533 1.00 3.33 C ATOM 761 SG CYS A 47 1.980 8.810 6.077 1.00 22.35 S ATOM 0 H CYS A 47 4.522 8.500 4.507 1.00 43.24 H new ATOM 0 HA CYS A 47 3.156 6.340 5.699 1.00 44.42 H new ATOM 0 HB2 CYS A 47 2.489 8.559 3.726 1.00 3.33 H new ATOM 0 HB3 CYS A 47 1.278 7.401 4.240 1.00 3.33 H new ATOM 0 HG CYS A 47 2.272 10.061 5.879 1.00 22.35 H new ATOM 767 N LEU A 48 3.477 6.072 2.411 1.00 4.13 N ATOM 768 CA LEU A 48 3.257 5.176 1.285 1.00 3.12 C ATOM 769 C LEU A 48 4.196 3.968 1.387 1.00 50.02 C ATOM 770 O LEU A 48 3.767 2.832 1.191 1.00 33.14 O ATOM 771 CB LEU A 48 3.476 5.987 -0.002 1.00 72.14 C ATOM 772 CG LEU A 48 2.875 5.466 -1.317 1.00 60.44 C ATOM 773 CD1 LEU A 48 3.299 4.055 -1.713 1.00 73.51 C ATOM 774 CD2 LEU A 48 1.352 5.546 -1.326 1.00 44.04 C ATOM 0 H LEU A 48 3.826 6.992 2.141 1.00 4.13 H new ATOM 0 HA LEU A 48 2.242 4.778 1.282 1.00 3.12 H new ATOM 0 HB2 LEU A 48 3.080 6.988 0.168 1.00 72.14 H new ATOM 0 HB3 LEU A 48 4.551 6.090 -0.148 1.00 72.14 H new ATOM 0 HG LEU A 48 3.292 6.141 -2.064 1.00 60.44 H new ATOM 0 HD11 LEU A 48 2.821 3.782 -2.654 1.00 73.51 H new ATOM 0 HD12 LEU A 48 4.382 4.021 -1.833 1.00 73.51 H new ATOM 0 HD13 LEU A 48 2.998 3.353 -0.936 1.00 73.51 H new ATOM 0 HD21 LEU A 48 0.973 5.167 -2.275 1.00 44.04 H new ATOM 0 HD22 LEU A 48 0.951 4.945 -0.510 1.00 44.04 H new ATOM 0 HD23 LEU A 48 1.041 6.583 -1.200 1.00 44.04 H new ATOM 786 N ILE A 49 5.484 4.181 1.690 1.00 4.15 N ATOM 787 CA ILE A 49 6.437 3.103 1.865 1.00 22.35 C ATOM 788 C ILE A 49 6.081 2.209 3.046 1.00 73.31 C ATOM 789 O ILE A 49 6.239 1.002 2.904 1.00 54.42 O ATOM 790 CB ILE A 49 7.907 3.588 1.895 1.00 2.24 C ATOM 791 CG1 ILE A 49 8.253 4.551 3.051 1.00 3.42 C ATOM 792 CG2 ILE A 49 8.260 4.233 0.542 1.00 45.11 C ATOM 793 CD1 ILE A 49 8.890 3.883 4.269 1.00 33.54 C ATOM 0 H ILE A 49 5.884 5.111 1.818 1.00 4.15 H new ATOM 0 HA ILE A 49 6.360 2.481 0.973 1.00 22.35 H new ATOM 0 HB ILE A 49 8.511 2.699 2.077 1.00 2.24 H new ATOM 0 HG12 ILE A 49 8.932 5.317 2.677 1.00 3.42 H new ATOM 0 HG13 ILE A 49 7.342 5.060 3.367 1.00 3.42 H new ATOM 0 HG21 ILE A 49 9.295 4.575 0.561 1.00 45.11 H new ATOM 0 HG22 ILE A 49 8.135 3.499 -0.254 1.00 45.11 H new ATOM 0 HG23 ILE A 49 7.600 5.082 0.360 1.00 45.11 H new ATOM 0 HD11 ILE A 49 9.098 4.636 5.029 1.00 33.54 H new ATOM 0 HD12 ILE A 49 8.206 3.137 4.674 1.00 33.54 H new ATOM 0 HD13 ILE A 49 9.821 3.399 3.973 1.00 33.54 H new ATOM 805 N LYS A 50 5.581 2.732 4.173 1.00 54.03 N ATOM 806 CA LYS A 50 5.231 1.859 5.292 1.00 10.45 C ATOM 807 C LYS A 50 4.010 1.003 4.962 1.00 65.14 C ATOM 808 O LYS A 50 3.964 -0.163 5.367 1.00 21.01 O ATOM 809 CB LYS A 50 5.078 2.670 6.593 1.00 64.21 C ATOM 810 CG LYS A 50 5.274 1.801 7.849 1.00 11.34 C ATOM 811 CD LYS A 50 6.750 1.431 8.098 1.00 30.02 C ATOM 812 CE LYS A 50 6.835 0.286 9.109 1.00 53.21 C ATOM 813 NZ LYS A 50 8.211 -0.204 9.311 1.00 51.25 N1+ ATOM 0 H LYS A 50 5.415 3.726 4.329 1.00 54.03 H new ATOM 0 HA LYS A 50 6.050 1.160 5.462 1.00 10.45 H new ATOM 0 HB2 LYS A 50 5.804 3.483 6.599 1.00 64.21 H new ATOM 0 HB3 LYS A 50 4.088 3.126 6.620 1.00 64.21 H new ATOM 0 HG2 LYS A 50 4.887 2.334 8.717 1.00 11.34 H new ATOM 0 HG3 LYS A 50 4.688 0.888 7.748 1.00 11.34 H new ATOM 0 HD2 LYS A 50 7.223 1.137 7.161 1.00 30.02 H new ATOM 0 HD3 LYS A 50 7.294 2.299 8.471 1.00 30.02 H new ATOM 0 HE2 LYS A 50 6.431 0.621 10.064 1.00 53.21 H new ATOM 0 HE3 LYS A 50 6.208 -0.538 8.769 1.00 53.21 H new ATOM 0 HZ1 LYS A 50 8.205 -0.978 10.005 1.00 51.25 H new ATOM 0 HZ2 LYS A 50 8.592 -0.552 8.408 1.00 51.25 H new ATOM 0 HZ3 LYS A 50 8.808 0.572 9.662 1.00 51.25 H new ATOM 827 N ILE A 51 3.042 1.560 4.229 1.00 24.51 N ATOM 828 CA ILE A 51 1.904 0.804 3.722 1.00 1.44 C ATOM 829 C ILE A 51 2.441 -0.291 2.805 1.00 1.23 C ATOM 830 O ILE A 51 2.144 -1.463 3.023 1.00 42.41 O ATOM 831 CB ILE A 51 0.880 1.709 3.005 1.00 34.42 C ATOM 832 CG1 ILE A 51 0.218 2.672 4.008 1.00 72.01 C ATOM 833 CG2 ILE A 51 -0.218 0.856 2.336 1.00 64.43 C ATOM 834 CD1 ILE A 51 -0.375 3.897 3.302 1.00 62.13 C ATOM 0 H ILE A 51 3.029 2.547 3.973 1.00 24.51 H new ATOM 0 HA ILE A 51 1.360 0.355 4.553 1.00 1.44 H new ATOM 0 HB ILE A 51 1.412 2.281 2.245 1.00 34.42 H new ATOM 0 HG12 ILE A 51 -0.568 2.148 4.552 1.00 72.01 H new ATOM 0 HG13 ILE A 51 0.954 2.996 4.744 1.00 72.01 H new ATOM 0 HG21 ILE A 51 -0.932 1.510 1.835 1.00 64.43 H new ATOM 0 HG22 ILE A 51 0.236 0.187 1.605 1.00 64.43 H new ATOM 0 HG23 ILE A 51 -0.735 0.268 3.095 1.00 64.43 H new ATOM 0 HD11 ILE A 51 -0.834 4.555 4.040 1.00 62.13 H new ATOM 0 HD12 ILE A 51 0.416 4.434 2.779 1.00 62.13 H new ATOM 0 HD13 ILE A 51 -1.129 3.574 2.585 1.00 62.13 H new ATOM 846 N GLY A 52 3.199 0.083 1.774 1.00 60.25 N ATOM 847 CA GLY A 52 3.652 -0.841 0.752 1.00 12.12 C ATOM 848 C GLY A 52 4.557 -1.926 1.325 1.00 41.42 C ATOM 849 O GLY A 52 4.492 -3.056 0.845 1.00 1.12 O ATOM 0 H GLY A 52 3.514 1.042 1.630 1.00 60.25 H new ATOM 0 HA2 GLY A 52 2.789 -1.304 0.273 1.00 12.12 H new ATOM 0 HA3 GLY A 52 4.189 -0.292 -0.021 1.00 12.12 H new ATOM 853 N ASP A 53 5.354 -1.612 2.349 1.00 15.43 N ATOM 854 CA ASP A 53 6.160 -2.586 3.074 1.00 23.03 C ATOM 855 C ASP A 53 5.254 -3.567 3.799 1.00 4.51 C ATOM 856 O ASP A 53 5.461 -4.763 3.620 1.00 64.45 O ATOM 857 CB ASP A 53 7.124 -1.929 4.080 1.00 51.04 C ATOM 858 CG ASP A 53 8.547 -1.725 3.556 1.00 41.21 C ATOM 859 OD1 ASP A 53 8.854 -1.986 2.375 1.00 74.02 O1- ATOM 860 OD2 ASP A 53 9.399 -1.323 4.389 1.00 2.34 O ATOM 0 H ASP A 53 5.456 -0.660 2.700 1.00 15.43 H new ATOM 0 HA ASP A 53 6.770 -3.109 2.337 1.00 23.03 H new ATOM 0 HB2 ASP A 53 6.717 -0.962 4.375 1.00 51.04 H new ATOM 0 HB3 ASP A 53 7.166 -2.545 4.979 1.00 51.04 H new ATOM 865 N HIS A 54 4.246 -3.110 4.557 1.00 4.14 N ATOM 866 CA HIS A 54 3.322 -4.041 5.207 1.00 61.14 C ATOM 867 C HIS A 54 2.554 -4.886 4.184 1.00 71.00 C ATOM 868 O HIS A 54 2.221 -6.037 4.464 1.00 13.33 O ATOM 869 CB HIS A 54 2.347 -3.301 6.128 1.00 31.12 C ATOM 870 CG HIS A 54 2.950 -2.942 7.459 1.00 71.42 C ATOM 871 ND1 HIS A 54 3.671 -1.807 7.742 1.00 41.41 N ATOM 872 CD2 HIS A 54 2.852 -3.679 8.607 1.00 41.53 C ATOM 873 CE1 HIS A 54 3.969 -1.843 9.055 1.00 33.05 C ATOM 874 NE2 HIS A 54 3.481 -2.953 9.622 1.00 52.53 N ATOM 0 H HIS A 54 4.055 -2.123 4.731 1.00 4.14 H new ATOM 0 HA HIS A 54 3.924 -4.717 5.814 1.00 61.14 H new ATOM 0 HB2 HIS A 54 2.008 -2.391 5.632 1.00 31.12 H new ATOM 0 HB3 HIS A 54 1.467 -3.923 6.290 1.00 31.12 H new ATOM 0 HD1 HIS A 54 3.932 -1.075 7.082 1.00 41.41 H new ATOM 0 HD2 HIS A 54 2.377 -4.643 8.710 1.00 41.53 H new ATOM 0 HE1 HIS A 54 4.526 -1.080 9.579 1.00 33.05 H new ATOM 882 N ILE A 55 2.263 -4.355 2.994 1.00 14.30 N ATOM 883 CA ILE A 55 1.695 -5.160 1.921 1.00 11.25 C ATOM 884 C ILE A 55 2.714 -6.235 1.528 1.00 40.53 C ATOM 885 O ILE A 55 2.351 -7.412 1.477 1.00 21.05 O ATOM 886 CB ILE A 55 1.234 -4.284 0.743 1.00 51.10 C ATOM 887 CG1 ILE A 55 0.045 -3.396 1.162 1.00 44.42 C ATOM 888 CG2 ILE A 55 0.878 -5.133 -0.493 1.00 13.04 C ATOM 889 CD1 ILE A 55 -0.448 -2.481 0.037 1.00 63.25 C ATOM 0 H ILE A 55 2.412 -3.375 2.754 1.00 14.30 H new ATOM 0 HA ILE A 55 0.791 -5.663 2.263 1.00 11.25 H new ATOM 0 HB ILE A 55 2.067 -3.639 0.464 1.00 51.10 H new ATOM 0 HG12 ILE A 55 -0.777 -4.032 1.492 1.00 44.42 H new ATOM 0 HG13 ILE A 55 0.338 -2.786 2.016 1.00 44.42 H new ATOM 0 HG21 ILE A 55 0.557 -4.479 -1.304 1.00 13.04 H new ATOM 0 HG22 ILE A 55 1.753 -5.700 -0.809 1.00 13.04 H new ATOM 0 HG23 ILE A 55 0.071 -5.821 -0.241 1.00 13.04 H new ATOM 0 HD11 ILE A 55 -1.285 -1.882 0.396 1.00 63.25 H new ATOM 0 HD12 ILE A 55 0.361 -1.822 -0.277 1.00 63.25 H new ATOM 0 HD13 ILE A 55 -0.771 -3.087 -0.809 1.00 63.25 H new ATOM 901 N THR A 56 3.954 -5.849 1.204 1.00 5.22 N ATOM 902 CA THR A 56 4.962 -6.796 0.761 1.00 13.14 C ATOM 903 C THR A 56 5.178 -7.865 1.824 1.00 44.41 C ATOM 904 O THR A 56 5.214 -9.032 1.445 1.00 3.10 O ATOM 905 CB THR A 56 6.278 -6.097 0.373 1.00 23.42 C ATOM 906 OG1 THR A 56 6.073 -5.197 -0.704 1.00 70.12 O ATOM 907 CG2 THR A 56 7.318 -7.106 -0.134 1.00 44.22 C ATOM 0 H THR A 56 4.276 -4.882 1.243 1.00 5.22 H new ATOM 0 HA THR A 56 4.598 -7.283 -0.144 1.00 13.14 H new ATOM 0 HB THR A 56 6.623 -5.586 1.272 1.00 23.42 H new ATOM 0 HG1 THR A 56 5.577 -4.414 -0.386 1.00 70.12 H new ATOM 0 HG21 THR A 56 8.235 -6.581 -0.400 1.00 44.22 H new ATOM 0 HG22 THR A 56 7.530 -7.834 0.649 1.00 44.22 H new ATOM 0 HG23 THR A 56 6.928 -7.621 -1.012 1.00 44.22 H new ATOM 915 N GLU A 57 5.335 -7.495 3.102 1.00 33.02 N ATOM 916 CA GLU A 57 5.649 -8.445 4.160 1.00 24.11 C ATOM 917 C GLU A 57 4.568 -9.524 4.249 1.00 32.24 C ATOM 918 O GLU A 57 4.877 -10.708 4.238 1.00 3.40 O ATOM 919 CB GLU A 57 6.069 -7.776 5.477 1.00 61.11 C ATOM 920 CG GLU A 57 4.879 -7.398 6.347 1.00 73.54 C ATOM 921 CD GLU A 57 4.333 -8.543 7.216 1.00 61.31 C ATOM 922 OE1 GLU A 57 5.141 -9.312 7.777 1.00 1.40 O ATOM 923 OE2 GLU A 57 3.089 -8.621 7.384 1.00 10.24 O1- ATOM 0 H GLU A 57 5.247 -6.531 3.423 1.00 33.02 H new ATOM 0 HA GLU A 57 6.559 -8.982 3.894 1.00 24.11 H new ATOM 0 HB2 GLU A 57 6.720 -8.452 6.032 1.00 61.11 H new ATOM 0 HB3 GLU A 57 6.652 -6.882 5.256 1.00 61.11 H new ATOM 0 HG2 GLU A 57 5.168 -6.572 6.997 1.00 73.54 H new ATOM 0 HG3 GLU A 57 4.078 -7.033 5.705 1.00 73.54 H new ATOM 930 N CYS A 58 3.304 -9.113 4.197 1.00 11.34 N ATOM 931 CA CYS A 58 2.173 -10.014 4.127 1.00 0.31 C ATOM 932 C CYS A 58 2.296 -10.961 2.932 1.00 73.23 C ATOM 933 O CYS A 58 2.120 -12.170 3.079 1.00 13.34 O ATOM 934 CB CYS A 58 0.905 -9.170 4.038 1.00 31.54 C ATOM 935 SG CYS A 58 0.387 -8.711 5.715 1.00 43.24 S ATOM 0 H CYS A 58 3.040 -8.128 4.203 1.00 11.34 H new ATOM 0 HA CYS A 58 2.139 -10.641 5.018 1.00 0.31 H new ATOM 0 HB2 CYS A 58 1.088 -8.276 3.442 1.00 31.54 H new ATOM 0 HB3 CYS A 58 0.114 -9.729 3.539 1.00 31.54 H new ATOM 0 HG CYS A 58 1.429 -8.648 6.489 1.00 43.24 H new ATOM 941 N LEU A 59 2.587 -10.446 1.731 1.00 64.12 N ATOM 942 CA LEU A 59 2.637 -11.333 0.574 1.00 53.20 C ATOM 943 C LEU A 59 3.868 -12.252 0.609 1.00 72.32 C ATOM 944 O LEU A 59 3.761 -13.358 0.096 1.00 72.00 O ATOM 945 CB LEU A 59 2.558 -10.618 -0.785 1.00 14.43 C ATOM 946 CG LEU A 59 1.348 -9.743 -1.157 1.00 53.24 C ATOM 947 CD1 LEU A 59 0.193 -9.701 -0.159 1.00 71.42 C ATOM 948 CD2 LEU A 59 1.810 -8.344 -1.590 1.00 3.53 C ATOM 0 H LEU A 59 2.783 -9.463 1.543 1.00 64.12 H new ATOM 0 HA LEU A 59 1.732 -11.934 0.660 1.00 53.20 H new ATOM 0 HB2 LEU A 59 3.443 -9.987 -0.864 1.00 14.43 H new ATOM 0 HB3 LEU A 59 2.644 -11.386 -1.554 1.00 14.43 H new ATOM 0 HG LEU A 59 0.891 -10.254 -2.004 1.00 53.24 H new ATOM 0 HD11 LEU A 59 -0.594 -9.050 -0.540 1.00 71.42 H new ATOM 0 HD12 LEU A 59 -0.204 -10.707 -0.019 1.00 71.42 H new ATOM 0 HD13 LEU A 59 0.551 -9.316 0.796 1.00 71.42 H new ATOM 0 HD21 LEU A 59 0.942 -7.738 -1.850 1.00 3.53 H new ATOM 0 HD22 LEU A 59 2.351 -7.870 -0.771 1.00 3.53 H new ATOM 0 HD23 LEU A 59 2.465 -8.429 -2.457 1.00 3.53 H new ATOM 960 N LYS A 60 5.025 -11.865 1.177 1.00 42.43 N ATOM 961 CA LYS A 60 6.175 -12.788 1.298 1.00 35.12 C ATOM 962 C LYS A 60 5.969 -13.834 2.395 1.00 40.54 C ATOM 963 O LYS A 60 6.887 -14.615 2.667 1.00 41.41 O ATOM 964 CB LYS A 60 7.549 -12.074 1.389 1.00 54.12 C ATOM 965 CG LYS A 60 7.801 -11.028 2.485 1.00 34.15 C ATOM 966 CD LYS A 60 7.712 -11.454 3.963 1.00 11.14 C ATOM 967 CE LYS A 60 8.991 -12.046 4.537 1.00 52.11 C ATOM 968 NZ LYS A 60 9.068 -11.808 5.996 1.00 72.35 N1+ ATOM 0 H LYS A 60 5.190 -10.932 1.556 1.00 42.43 H new ATOM 0 HA LYS A 60 6.211 -13.332 0.354 1.00 35.12 H new ATOM 0 HB2 LYS A 60 8.309 -12.847 1.498 1.00 54.12 H new ATOM 0 HB3 LYS A 60 7.725 -11.587 0.430 1.00 54.12 H new ATOM 0 HG2 LYS A 60 8.796 -10.615 2.322 1.00 34.15 H new ATOM 0 HG3 LYS A 60 7.090 -10.216 2.334 1.00 34.15 H new ATOM 0 HD2 LYS A 60 7.431 -10.586 4.560 1.00 11.14 H new ATOM 0 HD3 LYS A 60 6.911 -12.186 4.067 1.00 11.14 H new ATOM 0 HE2 LYS A 60 9.024 -13.117 4.336 1.00 52.11 H new ATOM 0 HE3 LYS A 60 9.856 -11.602 4.045 1.00 52.11 H new ATOM 0 HZ1 LYS A 60 9.947 -12.219 6.369 1.00 72.35 H new ATOM 0 HZ2 LYS A 60 9.058 -10.785 6.182 1.00 72.35 H new ATOM 0 HZ3 LYS A 60 8.252 -12.253 6.464 1.00 72.35 H new ATOM 982 N GLU A 61 4.805 -13.838 3.042 1.00 54.21 N ATOM 983 CA GLU A 61 4.469 -14.778 4.094 1.00 54.40 C ATOM 984 C GLU A 61 3.638 -15.952 3.598 1.00 62.01 C ATOM 985 O GLU A 61 3.514 -16.945 4.317 1.00 3.42 O ATOM 986 CB GLU A 61 3.743 -14.030 5.213 1.00 64.41 C ATOM 987 CG GLU A 61 4.564 -14.201 6.492 1.00 21.14 C ATOM 988 CD GLU A 61 4.084 -13.343 7.652 1.00 34.24 C ATOM 989 OE1 GLU A 61 2.902 -12.945 7.725 1.00 3.14 O ATOM 990 OE2 GLU A 61 4.881 -13.182 8.596 1.00 63.12 O1- ATOM 0 H GLU A 61 4.059 -13.172 2.841 1.00 54.21 H new ATOM 0 HA GLU A 61 5.397 -15.208 4.470 1.00 54.40 H new ATOM 0 HB2 GLU A 61 3.639 -12.974 4.963 1.00 64.41 H new ATOM 0 HB3 GLU A 61 2.737 -14.426 5.348 1.00 64.41 H new ATOM 0 HG2 GLU A 61 4.537 -15.249 6.792 1.00 21.14 H new ATOM 0 HG3 GLU A 61 5.605 -13.957 6.279 1.00 21.14 H new ATOM 997 N TYR A 62 3.079 -15.874 2.389 1.00 60.23 N ATOM 998 CA TYR A 62 2.436 -17.011 1.740 1.00 13.04 C ATOM 999 C TYR A 62 3.417 -17.812 0.879 1.00 13.02 C ATOM 1000 O TYR A 62 4.501 -17.329 0.563 1.00 51.53 O ATOM 1001 CB TYR A 62 1.254 -16.554 0.893 1.00 44.44 C ATOM 1002 CG TYR A 62 0.295 -15.620 1.591 1.00 71.50 C ATOM 1003 CD1 TYR A 62 -0.407 -16.075 2.721 1.00 33.43 C ATOM 1004 CD2 TYR A 62 0.132 -14.297 1.142 1.00 21.24 C ATOM 1005 CE1 TYR A 62 -1.355 -15.253 3.344 1.00 41.42 C ATOM 1006 CE2 TYR A 62 -0.768 -13.444 1.803 1.00 62.34 C ATOM 1007 CZ TYR A 62 -1.548 -13.936 2.879 1.00 11.34 C ATOM 1008 OH TYR A 62 -2.525 -13.178 3.438 1.00 10.34 O ATOM 0 H TYR A 62 3.061 -15.018 1.834 1.00 60.23 H new ATOM 0 HA TYR A 62 2.076 -17.666 2.533 1.00 13.04 H new ATOM 0 HB2 TYR A 62 1.636 -16.059 0.000 1.00 44.44 H new ATOM 0 HB3 TYR A 62 0.703 -17.433 0.559 1.00 44.44 H new ATOM 0 HD1 TYR A 62 -0.214 -17.064 3.111 1.00 33.43 H new ATOM 0 HD2 TYR A 62 0.696 -13.939 0.293 1.00 21.24 H new ATOM 0 HE1 TYR A 62 -1.935 -15.626 4.176 1.00 41.42 H new ATOM 0 HE2 TYR A 62 -0.865 -12.415 1.491 1.00 62.34 H new ATOM 0 HH TYR A 62 -3.333 -13.226 2.885 1.00 10.34 H new ATOM 1018 N THR A 63 2.992 -18.994 0.423 1.00 43.11 N ATOM 1019 CA THR A 63 3.782 -19.920 -0.389 1.00 35.33 C ATOM 1020 C THR A 63 3.097 -20.189 -1.738 1.00 12.01 C ATOM 1021 O THR A 63 3.711 -19.967 -2.789 1.00 41.13 O ATOM 1022 CB THR A 63 4.200 -21.162 0.422 1.00 2.33 C ATOM 1023 OG1 THR A 63 4.692 -22.210 -0.380 1.00 32.45 O ATOM 1024 CG2 THR A 63 3.050 -21.741 1.220 1.00 31.03 C ATOM 0 H THR A 63 2.054 -19.344 0.617 1.00 43.11 H new ATOM 0 HA THR A 63 4.731 -19.457 -0.659 1.00 35.33 H new ATOM 0 HB THR A 63 4.987 -20.792 1.079 1.00 2.33 H new ATOM 0 HG1 THR A 63 4.942 -22.968 0.189 1.00 32.45 H new ATOM 0 HG21 THR A 63 3.395 -22.614 1.774 1.00 31.03 H new ATOM 0 HG22 THR A 63 2.678 -20.991 1.919 1.00 31.03 H new ATOM 0 HG23 THR A 63 2.248 -22.035 0.542 1.00 31.03 H new ATOM 1032 N ASN A 64 1.830 -20.637 -1.740 1.00 22.12 N ATOM 1033 CA ASN A 64 1.141 -21.029 -2.971 1.00 20.34 C ATOM 1034 C ASN A 64 1.073 -19.818 -3.915 1.00 62.22 C ATOM 1035 O ASN A 64 0.859 -18.690 -3.453 1.00 24.00 O ATOM 1036 CB ASN A 64 -0.280 -21.565 -2.690 1.00 73.21 C ATOM 1037 CG ASN A 64 -0.327 -22.892 -1.938 1.00 21.22 C ATOM 1038 OD1 ASN A 64 0.328 -23.076 -0.913 1.00 61.02 O ATOM 1039 ND2 ASN A 64 -1.137 -23.831 -2.384 1.00 53.22 N ATOM 0 H ASN A 64 1.264 -20.735 -0.897 1.00 22.12 H new ATOM 0 HA ASN A 64 1.704 -21.837 -3.437 1.00 20.34 H new ATOM 0 HB2 ASN A 64 -0.828 -20.818 -2.115 1.00 73.21 H new ATOM 0 HB3 ASN A 64 -0.803 -21.683 -3.639 1.00 73.21 H new ATOM 0 HD21 ASN A 64 -1.222 -24.713 -1.879 1.00 53.22 H new ATOM 0 HD22 ASN A 64 -1.679 -23.676 -3.234 1.00 53.22 H new ATOM 1046 N PRO A 65 1.180 -20.020 -5.238 1.00 2.25 N ATOM 1047 CA PRO A 65 1.347 -18.927 -6.185 1.00 15.53 C ATOM 1048 C PRO A 65 0.063 -18.112 -6.273 1.00 14.03 C ATOM 1049 O PRO A 65 0.102 -16.886 -6.292 1.00 64.50 O ATOM 1050 CB PRO A 65 1.721 -19.576 -7.519 1.00 31.12 C ATOM 1051 CG PRO A 65 1.124 -20.976 -7.415 1.00 31.01 C ATOM 1052 CD PRO A 65 1.234 -21.297 -5.925 1.00 54.11 C ATOM 0 HA PRO A 65 2.126 -18.228 -5.880 1.00 15.53 H new ATOM 0 HB2 PRO A 65 1.307 -19.025 -8.363 1.00 31.12 H new ATOM 0 HB3 PRO A 65 2.801 -19.610 -7.660 1.00 31.12 H new ATOM 0 HG2 PRO A 65 0.089 -20.998 -7.756 1.00 31.01 H new ATOM 0 HG3 PRO A 65 1.675 -21.694 -8.023 1.00 31.01 H new ATOM 0 HD2 PRO A 65 0.420 -21.948 -5.605 1.00 54.11 H new ATOM 0 HD3 PRO A 65 2.165 -21.819 -5.706 1.00 54.11 H new ATOM 1060 N GLU A 66 -1.098 -18.766 -6.246 1.00 13.54 N ATOM 1061 CA GLU A 66 -2.356 -18.042 -6.276 1.00 32.01 C ATOM 1062 C GLU A 66 -2.590 -17.283 -4.966 1.00 34.31 C ATOM 1063 O GLU A 66 -3.326 -16.304 -4.985 1.00 2.21 O ATOM 1064 CB GLU A 66 -3.521 -18.982 -6.604 1.00 33.45 C ATOM 1065 CG GLU A 66 -3.396 -19.501 -8.041 1.00 24.12 C ATOM 1066 CD GLU A 66 -4.696 -20.144 -8.523 1.00 62.35 C ATOM 1067 OE1 GLU A 66 -4.925 -21.340 -8.229 1.00 0.13 O ATOM 1068 OE2 GLU A 66 -5.468 -19.477 -9.242 1.00 45.54 O1- ATOM 0 H GLU A 66 -1.188 -19.781 -6.204 1.00 13.54 H new ATOM 0 HA GLU A 66 -2.300 -17.300 -7.072 1.00 32.01 H new ATOM 0 HB2 GLU A 66 -3.529 -19.820 -5.907 1.00 33.45 H new ATOM 0 HB3 GLU A 66 -4.468 -18.456 -6.481 1.00 33.45 H new ATOM 0 HG2 GLU A 66 -3.129 -18.678 -8.704 1.00 24.12 H new ATOM 0 HG3 GLU A 66 -2.587 -20.229 -8.096 1.00 24.12 H new ATOM 1075 N GLN A 67 -1.972 -17.677 -3.842 1.00 33.41 N ATOM 1076 CA GLN A 67 -2.057 -16.939 -2.587 1.00 44.41 C ATOM 1077 C GLN A 67 -1.316 -15.617 -2.768 1.00 71.14 C ATOM 1078 O GLN A 67 -1.949 -14.565 -2.674 1.00 63.51 O ATOM 1079 CB GLN A 67 -1.465 -17.768 -1.431 1.00 53.35 C ATOM 1080 CG GLN A 67 -2.425 -18.091 -0.278 1.00 13.40 C ATOM 1081 CD GLN A 67 -1.830 -19.160 0.648 1.00 75.21 C ATOM 1082 OE1 GLN A 67 -1.557 -20.282 0.241 1.00 50.45 O ATOM 1083 NE2 GLN A 67 -1.574 -18.850 1.905 1.00 3.24 N ATOM 0 H GLN A 67 -1.400 -18.519 -3.785 1.00 33.41 H new ATOM 0 HA GLN A 67 -3.097 -16.740 -2.330 1.00 44.41 H new ATOM 0 HB2 GLN A 67 -1.088 -18.706 -1.838 1.00 53.35 H new ATOM 0 HB3 GLN A 67 -0.608 -17.230 -1.025 1.00 53.35 H new ATOM 0 HG2 GLN A 67 -2.633 -17.185 0.292 1.00 13.40 H new ATOM 0 HG3 GLN A 67 -3.376 -18.440 -0.679 1.00 13.40 H new ATOM 0 HE21 GLN A 67 -1.797 -17.919 2.256 1.00 3.24 H new ATOM 0 HE22 GLN A 67 -1.153 -19.542 2.525 1.00 3.24 H new ATOM 1092 N ILE A 68 -0.004 -15.656 -3.041 1.00 1.22 N ATOM 1093 CA ILE A 68 0.784 -14.437 -3.216 1.00 12.50 C ATOM 1094 C ILE A 68 0.176 -13.569 -4.316 1.00 71.12 C ATOM 1095 O ILE A 68 0.082 -12.357 -4.140 1.00 55.41 O ATOM 1096 CB ILE A 68 2.295 -14.716 -3.427 1.00 33.42 C ATOM 1097 CG1 ILE A 68 2.662 -15.563 -4.651 1.00 13.11 C ATOM 1098 CG2 ILE A 68 2.877 -15.430 -2.209 1.00 13.44 C ATOM 1099 CD1 ILE A 68 2.895 -14.743 -5.926 1.00 33.44 C ATOM 0 H ILE A 68 0.529 -16.519 -3.144 1.00 1.22 H new ATOM 0 HA ILE A 68 0.737 -13.873 -2.284 1.00 12.50 H new ATOM 0 HB ILE A 68 2.713 -13.722 -3.587 1.00 33.42 H new ATOM 0 HG12 ILE A 68 3.563 -16.134 -4.428 1.00 13.11 H new ATOM 0 HG13 ILE A 68 1.865 -16.283 -4.835 1.00 13.11 H new ATOM 0 HG21 ILE A 68 3.938 -15.620 -2.371 1.00 13.44 H new ATOM 0 HG22 ILE A 68 2.751 -14.804 -1.326 1.00 13.44 H new ATOM 0 HG23 ILE A 68 2.358 -16.377 -2.060 1.00 13.44 H new ATOM 0 HD11 ILE A 68 3.150 -15.412 -6.748 1.00 33.44 H new ATOM 0 HD12 ILE A 68 1.988 -14.192 -6.175 1.00 33.44 H new ATOM 0 HD13 ILE A 68 3.713 -14.041 -5.763 1.00 33.44 H new ATOM 1111 N LYS A 69 -0.275 -14.161 -5.429 1.00 64.12 N ATOM 1112 CA LYS A 69 -0.791 -13.414 -6.568 1.00 12.30 C ATOM 1113 C LYS A 69 -2.103 -12.729 -6.205 1.00 53.31 C ATOM 1114 O LYS A 69 -2.272 -11.543 -6.507 1.00 62.25 O ATOM 1115 CB LYS A 69 -0.966 -14.363 -7.764 1.00 34.45 C ATOM 1116 CG LYS A 69 -1.214 -13.634 -9.094 1.00 41.45 C ATOM 1117 CD LYS A 69 0.050 -13.505 -9.956 1.00 30.22 C ATOM 1118 CE LYS A 69 0.445 -14.873 -10.532 1.00 41.34 C ATOM 1119 NZ LYS A 69 1.413 -14.763 -11.640 1.00 65.32 N1+ ATOM 0 H LYS A 69 -0.290 -15.173 -5.559 1.00 64.12 H new ATOM 0 HA LYS A 69 -0.081 -12.635 -6.845 1.00 12.30 H new ATOM 0 HB2 LYS A 69 -0.074 -14.983 -7.859 1.00 34.45 H new ATOM 0 HB3 LYS A 69 -1.801 -15.035 -7.566 1.00 34.45 H new ATOM 0 HG2 LYS A 69 -1.978 -14.170 -9.658 1.00 41.45 H new ATOM 0 HG3 LYS A 69 -1.609 -12.639 -8.888 1.00 41.45 H new ATOM 0 HD2 LYS A 69 -0.125 -12.798 -10.767 1.00 30.22 H new ATOM 0 HD3 LYS A 69 0.868 -13.105 -9.356 1.00 30.22 H new ATOM 0 HE2 LYS A 69 0.873 -15.487 -9.740 1.00 41.34 H new ATOM 0 HE3 LYS A 69 -0.449 -15.387 -10.885 1.00 41.34 H new ATOM 0 HZ1 LYS A 69 1.646 -15.713 -11.993 1.00 65.32 H new ATOM 0 HZ2 LYS A 69 0.997 -14.200 -12.410 1.00 65.32 H new ATOM 0 HZ3 LYS A 69 2.279 -14.298 -11.300 1.00 65.32 H new ATOM 1133 N GLN A 70 -3.047 -13.451 -5.598 1.00 15.42 N ATOM 1134 CA GLN A 70 -4.354 -12.890 -5.306 1.00 72.22 C ATOM 1135 C GLN A 70 -4.224 -11.858 -4.190 1.00 73.44 C ATOM 1136 O GLN A 70 -4.701 -10.735 -4.363 1.00 2.02 O ATOM 1137 CB GLN A 70 -5.340 -13.998 -4.930 1.00 55.12 C ATOM 1138 CG GLN A 70 -6.807 -13.540 -4.999 1.00 63.14 C ATOM 1139 CD GLN A 70 -7.301 -13.284 -6.427 1.00 25.15 C ATOM 1140 OE1 GLN A 70 -6.727 -13.761 -7.406 1.00 54.22 O ATOM 1141 NE2 GLN A 70 -8.337 -12.480 -6.596 1.00 61.54 N ATOM 0 H GLN A 70 -2.926 -14.420 -5.303 1.00 15.42 H new ATOM 0 HA GLN A 70 -4.744 -12.393 -6.194 1.00 72.22 H new ATOM 0 HB2 GLN A 70 -5.198 -14.847 -5.599 1.00 55.12 H new ATOM 0 HB3 GLN A 70 -5.120 -14.347 -3.921 1.00 55.12 H new ATOM 0 HG2 GLN A 70 -7.438 -14.298 -4.535 1.00 63.14 H new ATOM 0 HG3 GLN A 70 -6.922 -12.628 -4.414 1.00 63.14 H new ATOM 0 HE21 GLN A 70 -8.813 -12.084 -5.785 1.00 61.54 H new ATOM 0 HE22 GLN A 70 -8.660 -12.255 -7.537 1.00 61.54 H new ATOM 1150 N TRP A 71 -3.553 -12.199 -3.080 1.00 63.41 N ATOM 1151 CA TRP A 71 -3.390 -11.291 -1.961 1.00 1.41 C ATOM 1152 C TRP A 71 -2.649 -10.035 -2.391 1.00 43.13 C ATOM 1153 O TRP A 71 -3.028 -8.947 -1.965 1.00 3.23 O ATOM 1154 CB TRP A 71 -2.699 -11.970 -0.783 1.00 34.40 C ATOM 1155 CG TRP A 71 -3.578 -12.894 -0.004 1.00 43.52 C ATOM 1156 CD1 TRP A 71 -3.364 -14.210 0.195 1.00 51.30 C ATOM 1157 CD2 TRP A 71 -4.759 -12.558 0.780 1.00 15.24 C ATOM 1158 NE1 TRP A 71 -4.330 -14.714 1.044 1.00 63.04 N ATOM 1159 CE2 TRP A 71 -5.207 -13.731 1.455 1.00 61.24 C ATOM 1160 CE3 TRP A 71 -5.487 -11.372 1.000 1.00 64.35 C ATOM 1161 CZ2 TRP A 71 -6.321 -13.717 2.312 1.00 11.21 C ATOM 1162 CZ3 TRP A 71 -6.611 -11.354 1.840 1.00 70.25 C ATOM 1163 CH2 TRP A 71 -7.034 -12.520 2.491 1.00 10.30 C ATOM 0 H TRP A 71 -3.114 -13.110 -2.944 1.00 63.41 H new ATOM 0 HA TRP A 71 -4.383 -10.997 -1.623 1.00 1.41 H new ATOM 0 HB2 TRP A 71 -1.841 -12.530 -1.154 1.00 34.40 H new ATOM 0 HB3 TRP A 71 -2.313 -11.203 -0.112 1.00 34.40 H new ATOM 0 HD1 TRP A 71 -2.560 -14.783 -0.243 1.00 51.30 H new ATOM 0 HE1 TRP A 71 -4.388 -15.691 1.331 1.00 63.04 H new ATOM 0 HE3 TRP A 71 -5.174 -10.460 0.513 1.00 64.35 H new ATOM 0 HZ2 TRP A 71 -6.625 -14.616 2.827 1.00 11.21 H new ATOM 0 HZ3 TRP A 71 -7.155 -10.433 1.986 1.00 70.25 H new ATOM 0 HH2 TRP A 71 -7.906 -12.499 3.128 1.00 10.30 H new ATOM 1174 N ARG A 72 -1.667 -10.160 -3.294 1.00 1.43 N ATOM 1175 CA ARG A 72 -0.928 -9.006 -3.806 1.00 44.24 C ATOM 1176 C ARG A 72 -1.896 -7.939 -4.300 1.00 25.40 C ATOM 1177 O ARG A 72 -1.727 -6.761 -4.002 1.00 72.43 O ATOM 1178 CB ARG A 72 0.104 -9.430 -4.866 1.00 20.22 C ATOM 1179 CG ARG A 72 0.799 -8.261 -5.580 1.00 24.51 C ATOM 1180 CD ARG A 72 0.086 -7.896 -6.887 1.00 4.10 C ATOM 1181 NE ARG A 72 0.094 -6.446 -7.130 1.00 14.41 N ATOM 1182 CZ ARG A 72 -0.637 -5.823 -8.058 1.00 35.32 C ATOM 1183 NH1 ARG A 72 -1.309 -6.533 -8.963 1.00 54.04 N1+ ATOM 1184 NH2 ARG A 72 -0.704 -4.495 -8.062 1.00 74.24 N ATOM 0 H ARG A 72 -1.368 -11.054 -3.684 1.00 1.43 H new ATOM 0 HA ARG A 72 -0.353 -8.561 -2.994 1.00 44.24 H new ATOM 0 HB2 ARG A 72 0.862 -10.051 -4.389 1.00 20.22 H new ATOM 0 HB3 ARG A 72 -0.393 -10.051 -5.611 1.00 20.22 H new ATOM 0 HG2 ARG A 72 0.821 -7.393 -4.922 1.00 24.51 H new ATOM 0 HG3 ARG A 72 1.835 -8.527 -5.791 1.00 24.51 H new ATOM 0 HD2 ARG A 72 0.571 -8.406 -7.719 1.00 4.10 H new ATOM 0 HD3 ARG A 72 -0.943 -8.252 -6.851 1.00 4.10 H new ATOM 0 HE ARG A 72 0.703 -5.873 -6.546 1.00 14.41 H new ATOM 0 HH11 ARG A 72 -1.265 -7.552 -8.947 1.00 54.04 H new ATOM 0 HH12 ARG A 72 -1.867 -6.058 -9.672 1.00 54.04 H new ATOM 0 HH21 ARG A 72 -0.198 -3.957 -7.358 1.00 74.24 H new ATOM 0 HH22 ARG A 72 -1.261 -4.015 -8.769 1.00 74.24 H new ATOM 1198 N LYS A 73 -2.907 -8.337 -5.073 1.00 64.24 N ATOM 1199 CA LYS A 73 -3.942 -7.438 -5.538 1.00 2.53 C ATOM 1200 C LYS A 73 -4.828 -7.058 -4.367 1.00 1.23 C ATOM 1201 O LYS A 73 -5.028 -5.873 -4.159 1.00 55.21 O ATOM 1202 CB LYS A 73 -4.746 -8.079 -6.681 1.00 34.23 C ATOM 1203 CG LYS A 73 -4.989 -7.066 -7.806 1.00 63.11 C ATOM 1204 CD LYS A 73 -5.717 -7.707 -8.997 1.00 42.23 C ATOM 1205 CE LYS A 73 -5.298 -7.005 -10.292 1.00 22.32 C ATOM 1206 NZ LYS A 73 -5.818 -7.702 -11.481 1.00 41.12 N1+ ATOM 0 H LYS A 73 -3.024 -9.299 -5.391 1.00 64.24 H new ATOM 0 HA LYS A 73 -3.491 -6.531 -5.941 1.00 2.53 H new ATOM 0 HB2 LYS A 73 -4.207 -8.942 -7.072 1.00 34.23 H new ATOM 0 HB3 LYS A 73 -5.700 -8.444 -6.301 1.00 34.23 H new ATOM 0 HG2 LYS A 73 -5.578 -6.232 -7.425 1.00 63.11 H new ATOM 0 HG3 LYS A 73 -4.036 -6.656 -8.139 1.00 63.11 H new ATOM 0 HD2 LYS A 73 -5.479 -8.769 -9.053 1.00 42.23 H new ATOM 0 HD3 LYS A 73 -6.796 -7.629 -8.862 1.00 42.23 H new ATOM 0 HE2 LYS A 73 -5.662 -5.978 -10.284 1.00 22.32 H new ATOM 0 HE3 LYS A 73 -4.210 -6.957 -10.345 1.00 22.32 H new ATOM 0 HZ1 LYS A 73 -5.515 -7.199 -12.339 1.00 41.12 H new ATOM 0 HZ2 LYS A 73 -5.450 -8.675 -11.502 1.00 41.12 H new ATOM 0 HZ3 LYS A 73 -6.857 -7.726 -11.443 1.00 41.12 H new ATOM 1220 N ASN A 74 -5.373 -8.027 -3.625 1.00 53.23 N ATOM 1221 CA ASN A 74 -6.406 -7.796 -2.615 1.00 31.13 C ATOM 1222 C ASN A 74 -5.990 -6.735 -1.590 1.00 50.53 C ATOM 1223 O ASN A 74 -6.830 -5.928 -1.185 1.00 74.44 O ATOM 1224 CB ASN A 74 -6.783 -9.107 -1.903 1.00 21.11 C ATOM 1225 CG ASN A 74 -7.713 -10.024 -2.681 1.00 15.34 C ATOM 1226 OD1 ASN A 74 -8.481 -9.596 -3.536 1.00 63.22 O ATOM 1227 ND2 ASN A 74 -7.718 -11.310 -2.373 1.00 4.44 N ATOM 0 H ASN A 74 -5.104 -9.007 -3.712 1.00 53.23 H new ATOM 0 HA ASN A 74 -7.281 -7.416 -3.142 1.00 31.13 H new ATOM 0 HB2 ASN A 74 -5.868 -9.653 -1.675 1.00 21.11 H new ATOM 0 HB3 ASN A 74 -7.254 -8.862 -0.951 1.00 21.11 H new ATOM 0 HD21 ASN A 74 -8.360 -11.945 -2.846 1.00 4.44 H new ATOM 0 HD22 ASN A 74 -7.079 -11.667 -1.662 1.00 4.44 H new ATOM 1234 N LEU A 75 -4.726 -6.724 -1.161 1.00 65.10 N ATOM 1235 CA LEU A 75 -4.170 -5.694 -0.280 1.00 4.53 C ATOM 1236 C LEU A 75 -4.177 -4.346 -0.998 1.00 24.52 C ATOM 1237 O LEU A 75 -4.796 -3.405 -0.511 1.00 41.55 O ATOM 1238 CB LEU A 75 -2.735 -6.069 0.149 1.00 10.04 C ATOM 1239 CG LEU A 75 -2.572 -6.958 1.402 1.00 13.31 C ATOM 1240 CD1 LEU A 75 -3.208 -6.327 2.640 1.00 32.35 C ATOM 1241 CD2 LEU A 75 -3.119 -8.373 1.212 1.00 54.21 C ATOM 0 H LEU A 75 -4.049 -7.442 -1.420 1.00 65.10 H new ATOM 0 HA LEU A 75 -4.786 -5.622 0.616 1.00 4.53 H new ATOM 0 HB2 LEU A 75 -2.256 -6.577 -0.688 1.00 10.04 H new ATOM 0 HB3 LEU A 75 -2.183 -5.145 0.319 1.00 10.04 H new ATOM 0 HG LEU A 75 -1.496 -7.035 1.555 1.00 13.31 H new ATOM 0 HD11 LEU A 75 -3.069 -6.987 3.497 1.00 32.35 H new ATOM 0 HD12 LEU A 75 -2.735 -5.366 2.842 1.00 32.35 H new ATOM 0 HD13 LEU A 75 -4.274 -6.178 2.466 1.00 32.35 H new ATOM 0 HD21 LEU A 75 -2.974 -8.945 2.128 1.00 54.21 H new ATOM 0 HD22 LEU A 75 -4.183 -8.324 0.980 1.00 54.21 H new ATOM 0 HD23 LEU A 75 -2.591 -8.860 0.392 1.00 54.21 H new ATOM 1253 N TRP A 76 -3.529 -4.241 -2.160 1.00 13.51 N ATOM 1254 CA TRP A 76 -3.499 -3.011 -2.943 1.00 2.42 C ATOM 1255 C TRP A 76 -4.917 -2.482 -3.257 1.00 30.11 C ATOM 1256 O TRP A 76 -5.144 -1.271 -3.238 1.00 22.05 O ATOM 1257 CB TRP A 76 -2.643 -3.249 -4.202 1.00 34.53 C ATOM 1258 CG TRP A 76 -1.151 -3.091 -4.036 1.00 52.32 C ATOM 1259 CD1 TRP A 76 -0.213 -4.012 -4.362 1.00 3.24 C ATOM 1260 CD2 TRP A 76 -0.401 -1.948 -3.512 1.00 74.43 C ATOM 1261 NE1 TRP A 76 1.048 -3.527 -4.075 1.00 61.30 N ATOM 1262 CE2 TRP A 76 0.988 -2.268 -3.524 1.00 73.42 C ATOM 1263 CE3 TRP A 76 -0.748 -0.676 -3.008 1.00 24.41 C ATOM 1264 CZ2 TRP A 76 1.970 -1.396 -3.033 1.00 54.25 C ATOM 1265 CZ3 TRP A 76 0.231 0.207 -2.513 1.00 54.41 C ATOM 1266 CH2 TRP A 76 1.585 -0.158 -2.505 1.00 33.11 C ATOM 0 H TRP A 76 -3.010 -5.011 -2.583 1.00 13.51 H new ATOM 0 HA TRP A 76 -3.036 -2.217 -2.358 1.00 2.42 H new ATOM 0 HB2 TRP A 76 -2.842 -4.257 -4.565 1.00 34.53 H new ATOM 0 HB3 TRP A 76 -2.976 -2.559 -4.978 1.00 34.53 H new ATOM 0 HD1 TRP A 76 -0.421 -4.984 -4.785 1.00 3.24 H new ATOM 0 HE1 TRP A 76 1.914 -4.037 -4.249 1.00 61.30 H new ATOM 0 HE3 TRP A 76 -1.785 -0.374 -3.002 1.00 24.41 H new ATOM 0 HZ2 TRP A 76 3.013 -1.676 -3.062 1.00 54.25 H new ATOM 0 HZ3 TRP A 76 -0.064 1.175 -2.136 1.00 54.41 H new ATOM 0 HH2 TRP A 76 2.326 0.512 -2.094 1.00 33.11 H new ATOM 1277 N ILE A 77 -5.896 -3.355 -3.503 1.00 1.43 N ATOM 1278 CA ILE A 77 -7.306 -3.022 -3.705 1.00 32.02 C ATOM 1279 C ILE A 77 -7.857 -2.392 -2.436 1.00 35.11 C ATOM 1280 O ILE A 77 -8.467 -1.329 -2.502 1.00 41.01 O ATOM 1281 CB ILE A 77 -8.103 -4.290 -4.086 1.00 24.14 C ATOM 1282 CG1 ILE A 77 -7.706 -4.719 -5.508 1.00 65.31 C ATOM 1283 CG2 ILE A 77 -9.627 -4.063 -3.997 1.00 5.42 C ATOM 1284 CD1 ILE A 77 -8.023 -6.187 -5.812 1.00 32.44 C ATOM 0 H ILE A 77 -5.719 -4.357 -3.570 1.00 1.43 H new ATOM 0 HA ILE A 77 -7.403 -2.308 -4.523 1.00 32.02 H new ATOM 0 HB ILE A 77 -7.858 -5.079 -3.375 1.00 24.14 H new ATOM 0 HG12 ILE A 77 -8.225 -4.086 -6.228 1.00 65.31 H new ATOM 0 HG13 ILE A 77 -6.638 -4.550 -5.646 1.00 65.31 H new ATOM 0 HG21 ILE A 77 -10.148 -4.980 -4.273 1.00 5.42 H new ATOM 0 HG22 ILE A 77 -9.895 -3.787 -2.977 1.00 5.42 H new ATOM 0 HG23 ILE A 77 -9.916 -3.262 -4.678 1.00 5.42 H new ATOM 0 HD11 ILE A 77 -7.717 -6.422 -6.832 1.00 32.44 H new ATOM 0 HD12 ILE A 77 -7.483 -6.828 -5.115 1.00 32.44 H new ATOM 0 HD13 ILE A 77 -9.094 -6.357 -5.706 1.00 32.44 H new ATOM 1296 N PHE A 78 -7.654 -3.046 -1.294 1.00 63.05 N ATOM 1297 CA PHE A 78 -8.111 -2.518 -0.014 1.00 71.52 C ATOM 1298 C PHE A 78 -7.563 -1.108 0.206 1.00 63.24 C ATOM 1299 O PHE A 78 -8.329 -0.202 0.510 1.00 12.03 O ATOM 1300 CB PHE A 78 -7.745 -3.452 1.142 1.00 45.03 C ATOM 1301 CG PHE A 78 -8.173 -2.897 2.485 1.00 51.35 C ATOM 1302 CD1 PHE A 78 -9.537 -2.842 2.836 1.00 11.10 C ATOM 1303 CD2 PHE A 78 -7.200 -2.414 3.377 1.00 64.41 C ATOM 1304 CE1 PHE A 78 -9.934 -2.300 4.068 1.00 12.10 C ATOM 1305 CE2 PHE A 78 -7.605 -1.847 4.601 1.00 14.45 C ATOM 1306 CZ PHE A 78 -8.965 -1.792 4.950 1.00 25.55 C ATOM 0 H PHE A 78 -7.175 -3.944 -1.231 1.00 63.05 H new ATOM 0 HA PHE A 78 -9.199 -2.458 -0.039 1.00 71.52 H new ATOM 0 HB2 PHE A 78 -8.216 -4.423 0.985 1.00 45.03 H new ATOM 0 HB3 PHE A 78 -6.668 -3.617 1.146 1.00 45.03 H new ATOM 0 HD1 PHE A 78 -10.282 -3.220 2.152 1.00 11.10 H new ATOM 0 HD2 PHE A 78 -6.151 -2.477 3.126 1.00 64.41 H new ATOM 0 HE1 PHE A 78 -10.980 -2.273 4.337 1.00 12.10 H new ATOM 0 HE2 PHE A 78 -6.863 -1.451 5.278 1.00 14.45 H new ATOM 0 HZ PHE A 78 -9.265 -1.360 5.894 1.00 25.55 H new ATOM 1316 N VAL A 79 -6.263 -0.891 0.001 1.00 42.13 N ATOM 1317 CA VAL A 79 -5.664 0.434 0.149 1.00 72.11 C ATOM 1318 C VAL A 79 -6.235 1.417 -0.873 1.00 63.14 C ATOM 1319 O VAL A 79 -6.393 2.585 -0.541 1.00 61.34 O ATOM 1320 CB VAL A 79 -4.131 0.330 0.093 1.00 54.40 C ATOM 1321 CG1 VAL A 79 -3.435 1.686 0.249 1.00 35.12 C ATOM 1322 CG2 VAL A 79 -3.678 -0.590 1.233 1.00 22.13 C ATOM 0 H VAL A 79 -5.603 -1.620 -0.269 1.00 42.13 H new ATOM 0 HA VAL A 79 -5.924 0.836 1.128 1.00 72.11 H new ATOM 0 HB VAL A 79 -3.856 -0.062 -0.886 1.00 54.40 H new ATOM 0 HG11 VAL A 79 -2.355 1.548 0.201 1.00 35.12 H new ATOM 0 HG12 VAL A 79 -3.752 2.352 -0.554 1.00 35.12 H new ATOM 0 HG13 VAL A 79 -3.703 2.124 1.211 1.00 35.12 H new ATOM 0 HG21 VAL A 79 -2.592 -0.682 1.217 1.00 22.13 H new ATOM 0 HG22 VAL A 79 -3.992 -0.168 2.188 1.00 22.13 H new ATOM 0 HG23 VAL A 79 -4.127 -1.575 1.106 1.00 22.13 H new ATOM 1332 N SER A 80 -6.635 0.952 -2.059 1.00 34.12 N ATOM 1333 CA SER A 80 -7.313 1.809 -3.038 1.00 61.41 C ATOM 1334 C SER A 80 -8.594 2.450 -2.475 1.00 21.53 C ATOM 1335 O SER A 80 -9.031 3.461 -3.015 1.00 43.34 O ATOM 1336 CB SER A 80 -7.682 1.064 -4.334 1.00 54.34 C ATOM 1337 OG SER A 80 -6.637 0.288 -4.906 1.00 43.03 O ATOM 0 H SER A 80 -6.502 -0.012 -2.366 1.00 34.12 H new ATOM 0 HA SER A 80 -6.585 2.587 -3.267 1.00 61.41 H new ATOM 0 HB2 SER A 80 -8.529 0.409 -4.129 1.00 54.34 H new ATOM 0 HB3 SER A 80 -8.016 1.794 -5.071 1.00 54.34 H new ATOM 0 HG SER A 80 -6.246 -0.291 -4.219 1.00 43.03 H new ATOM 1343 N LYS A 81 -9.238 1.881 -1.444 1.00 14.35 N ATOM 1344 CA LYS A 81 -10.426 2.487 -0.831 1.00 53.15 C ATOM 1345 C LYS A 81 -10.068 3.699 0.035 1.00 44.31 C ATOM 1346 O LYS A 81 -10.963 4.475 0.371 1.00 0.54 O ATOM 1347 CB LYS A 81 -11.196 1.445 -0.001 1.00 41.41 C ATOM 1348 CG LYS A 81 -12.194 0.615 -0.813 1.00 35.41 C ATOM 1349 CD LYS A 81 -11.594 -0.384 -1.814 1.00 70.23 C ATOM 1350 CE LYS A 81 -12.701 -0.994 -2.686 1.00 21.01 C ATOM 1351 NZ LYS A 81 -13.766 -1.664 -1.906 1.00 70.41 N1+ ATOM 0 H LYS A 81 -8.953 0.999 -1.018 1.00 14.35 H new ATOM 0 HA LYS A 81 -11.065 2.839 -1.640 1.00 53.15 H new ATOM 0 HB2 LYS A 81 -10.481 0.773 0.473 1.00 41.41 H new ATOM 0 HB3 LYS A 81 -11.731 1.956 0.799 1.00 41.41 H new ATOM 0 HG2 LYS A 81 -12.826 0.064 -0.117 1.00 35.41 H new ATOM 0 HG3 LYS A 81 -12.843 1.299 -1.360 1.00 35.41 H new ATOM 0 HD2 LYS A 81 -10.860 0.119 -2.444 1.00 70.23 H new ATOM 0 HD3 LYS A 81 -11.067 -1.174 -1.279 1.00 70.23 H new ATOM 0 HE2 LYS A 81 -13.148 -0.208 -3.295 1.00 21.01 H new ATOM 0 HE3 LYS A 81 -12.256 -1.715 -3.372 1.00 21.01 H new ATOM 0 HZ1 LYS A 81 -14.406 -2.168 -2.553 1.00 70.41 H new ATOM 0 HZ2 LYS A 81 -13.337 -2.343 -1.245 1.00 70.41 H new ATOM 0 HZ3 LYS A 81 -14.304 -0.953 -1.371 1.00 70.41 H new ATOM 1365 N PHE A 82 -8.795 3.854 0.393 1.00 71.53 N ATOM 1366 CA PHE A 82 -8.252 4.899 1.248 1.00 3.11 C ATOM 1367 C PHE A 82 -7.318 5.832 0.489 1.00 61.04 C ATOM 1368 O PHE A 82 -6.371 6.339 1.087 1.00 45.15 O ATOM 1369 CB PHE A 82 -7.523 4.255 2.433 1.00 72.45 C ATOM 1370 CG PHE A 82 -8.485 3.539 3.340 1.00 40.53 C ATOM 1371 CD1 PHE A 82 -9.153 4.261 4.340 1.00 61.03 C ATOM 1372 CD2 PHE A 82 -8.830 2.205 3.076 1.00 43.53 C ATOM 1373 CE1 PHE A 82 -10.188 3.653 5.062 1.00 43.31 C ATOM 1374 CE2 PHE A 82 -9.885 1.607 3.775 1.00 11.10 C ATOM 1375 CZ PHE A 82 -10.572 2.329 4.771 1.00 61.24 C ATOM 0 H PHE A 82 -8.072 3.210 0.071 1.00 71.53 H new ATOM 0 HA PHE A 82 -9.081 5.507 1.610 1.00 3.11 H new ATOM 0 HB2 PHE A 82 -6.775 3.553 2.065 1.00 72.45 H new ATOM 0 HB3 PHE A 82 -6.991 5.022 2.996 1.00 72.45 H new ATOM 0 HD1 PHE A 82 -8.870 5.282 4.552 1.00 61.03 H new ATOM 0 HD2 PHE A 82 -8.283 1.641 2.335 1.00 43.53 H new ATOM 0 HE1 PHE A 82 -10.693 4.201 5.844 1.00 43.31 H new ATOM 0 HE2 PHE A 82 -10.173 0.591 3.551 1.00 11.10 H new ATOM 0 HZ PHE A 82 -11.389 1.870 5.309 1.00 61.24 H new ATOM 1385 N THR A 83 -7.528 6.062 -0.806 1.00 61.12 N ATOM 1386 CA THR A 83 -6.825 7.127 -1.500 1.00 12.22 C ATOM 1387 C THR A 83 -7.550 7.411 -2.831 1.00 51.24 C ATOM 1388 O THR A 83 -8.496 6.710 -3.184 1.00 21.11 O ATOM 1389 CB THR A 83 -5.341 6.728 -1.664 1.00 21.14 C ATOM 1390 OG1 THR A 83 -4.558 7.740 -2.265 1.00 14.11 O ATOM 1391 CG2 THR A 83 -5.162 5.397 -2.402 1.00 21.44 C ATOM 0 H THR A 83 -8.174 5.528 -1.387 1.00 61.12 H new ATOM 0 HA THR A 83 -6.832 8.058 -0.933 1.00 12.22 H new ATOM 0 HB THR A 83 -4.973 6.594 -0.647 1.00 21.14 H new ATOM 0 HG1 THR A 83 -3.630 7.434 -2.342 1.00 14.11 H new ATOM 0 HG21 THR A 83 -4.100 5.168 -2.488 1.00 21.44 H new ATOM 0 HG22 THR A 83 -5.660 4.603 -1.846 1.00 21.44 H new ATOM 0 HG23 THR A 83 -5.598 5.472 -3.398 1.00 21.44 H new ATOM 1399 N GLU A 84 -7.097 8.416 -3.590 1.00 33.14 N ATOM 1400 CA GLU A 84 -7.544 8.700 -4.959 1.00 74.01 C ATOM 1401 C GLU A 84 -6.909 7.732 -5.969 1.00 43.32 C ATOM 1402 O GLU A 84 -7.398 7.581 -7.091 1.00 63.43 O ATOM 1403 CB GLU A 84 -7.098 10.120 -5.337 1.00 14.25 C ATOM 1404 CG GLU A 84 -7.840 11.223 -4.570 1.00 22.52 C ATOM 1405 CD GLU A 84 -6.877 12.310 -4.106 1.00 53.53 C ATOM 1406 OE1 GLU A 84 -6.251 12.981 -4.967 1.00 15.35 O1- ATOM 1407 OE2 GLU A 84 -6.672 12.427 -2.877 1.00 3.33 O ATOM 0 H GLU A 84 -6.390 9.072 -3.260 1.00 33.14 H new ATOM 0 HA GLU A 84 -8.628 8.591 -4.990 1.00 74.01 H new ATOM 0 HB2 GLU A 84 -6.028 10.217 -5.152 1.00 14.25 H new ATOM 0 HB3 GLU A 84 -7.251 10.267 -6.406 1.00 14.25 H new ATOM 0 HG2 GLU A 84 -8.608 11.661 -5.208 1.00 22.52 H new ATOM 0 HG3 GLU A 84 -8.349 10.792 -3.708 1.00 22.52 H new ATOM 1414 N PHE A 85 -5.779 7.128 -5.601 1.00 73.53 N ATOM 1415 CA PHE A 85 -4.905 6.381 -6.487 1.00 60.43 C ATOM 1416 C PHE A 85 -5.268 4.896 -6.453 1.00 31.05 C ATOM 1417 O PHE A 85 -5.084 4.221 -5.439 1.00 71.34 O ATOM 1418 CB PHE A 85 -3.447 6.645 -6.064 1.00 20.01 C ATOM 1419 CG PHE A 85 -2.817 7.942 -6.563 1.00 53.30 C ATOM 1420 CD1 PHE A 85 -3.056 8.441 -7.862 1.00 1.42 C ATOM 1421 CD2 PHE A 85 -1.962 8.658 -5.702 1.00 44.43 C ATOM 1422 CE1 PHE A 85 -2.454 9.637 -8.288 1.00 70.20 C ATOM 1423 CE2 PHE A 85 -1.354 9.850 -6.131 1.00 63.20 C ATOM 1424 CZ PHE A 85 -1.600 10.341 -7.424 1.00 71.12 C ATOM 0 H PHE A 85 -5.440 7.150 -4.639 1.00 73.53 H new ATOM 0 HA PHE A 85 -5.027 6.706 -7.520 1.00 60.43 H new ATOM 0 HB2 PHE A 85 -3.402 6.641 -4.975 1.00 20.01 H new ATOM 0 HB3 PHE A 85 -2.835 5.813 -6.412 1.00 20.01 H new ATOM 0 HD1 PHE A 85 -3.706 7.899 -8.533 1.00 1.42 H new ATOM 0 HD2 PHE A 85 -1.773 8.288 -4.705 1.00 44.43 H new ATOM 0 HE1 PHE A 85 -2.648 10.015 -9.281 1.00 70.20 H new ATOM 0 HE2 PHE A 85 -0.696 10.390 -5.466 1.00 63.20 H new ATOM 0 HZ PHE A 85 -1.133 11.258 -7.753 1.00 71.12 H new ATOM 1434 N ASP A 86 -5.726 4.372 -7.598 1.00 63.21 N ATOM 1435 CA ASP A 86 -5.856 2.938 -7.843 1.00 42.44 C ATOM 1436 C ASP A 86 -4.570 2.228 -7.430 1.00 50.23 C ATOM 1437 O ASP A 86 -3.484 2.790 -7.590 1.00 3.02 O ATOM 1438 CB ASP A 86 -5.948 2.629 -9.349 1.00 35.42 C ATOM 1439 CG ASP A 86 -7.236 2.956 -10.077 1.00 61.50 C ATOM 1440 OD1 ASP A 86 -8.218 2.201 -9.917 1.00 23.14 O1- ATOM 1441 OD2 ASP A 86 -7.169 3.822 -10.989 1.00 54.44 O ATOM 0 H ASP A 86 -6.020 4.945 -8.389 1.00 63.21 H new ATOM 0 HA ASP A 86 -6.742 2.617 -7.295 1.00 42.44 H new ATOM 0 HB2 ASP A 86 -5.140 3.165 -9.847 1.00 35.42 H new ATOM 0 HB3 ASP A 86 -5.753 1.565 -9.481 1.00 35.42 H new ATOM 1446 N ALA A 87 -4.667 0.923 -7.165 1.00 34.50 N ATOM 1447 CA ALA A 87 -3.537 -0.005 -7.131 1.00 54.34 C ATOM 1448 C ALA A 87 -2.600 0.200 -8.322 1.00 42.15 C ATOM 1449 O ALA A 87 -1.382 0.144 -8.175 1.00 54.10 O ATOM 1450 CB ALA A 87 -4.083 -1.435 -7.142 1.00 13.05 C ATOM 0 H ALA A 87 -5.559 0.471 -6.963 1.00 34.50 H new ATOM 0 HA ALA A 87 -2.959 0.180 -6.226 1.00 54.34 H new ATOM 0 HB1 ALA A 87 -3.253 -2.141 -7.117 1.00 13.05 H new ATOM 0 HB2 ALA A 87 -4.717 -1.589 -6.269 1.00 13.05 H new ATOM 0 HB3 ALA A 87 -4.668 -1.594 -8.048 1.00 13.05 H new ATOM 1456 N ARG A 88 -3.158 0.483 -9.503 1.00 54.42 N ATOM 1457 CA ARG A 88 -2.414 0.798 -10.717 1.00 71.23 C ATOM 1458 C ARG A 88 -1.392 1.914 -10.478 1.00 35.22 C ATOM 1459 O ARG A 88 -0.243 1.780 -10.905 1.00 74.21 O ATOM 1460 CB ARG A 88 -3.405 1.175 -11.839 1.00 33.21 C ATOM 1461 CG ARG A 88 -3.214 0.361 -13.120 1.00 42.33 C ATOM 1462 CD ARG A 88 -1.836 0.550 -13.769 1.00 12.42 C ATOM 1463 NE ARG A 88 -1.846 0.013 -15.132 1.00 52.53 N ATOM 1464 CZ ARG A 88 -1.876 -1.277 -15.488 1.00 51.53 C ATOM 1465 NH1 ARG A 88 -1.598 -2.258 -14.625 1.00 3.04 N1+ ATOM 1466 NH2 ARG A 88 -2.203 -1.556 -16.741 1.00 13.42 N ATOM 0 H ARG A 88 -4.169 0.499 -9.640 1.00 54.42 H new ATOM 0 HA ARG A 88 -1.849 -0.083 -11.022 1.00 71.23 H new ATOM 0 HB2 ARG A 88 -4.423 1.034 -11.476 1.00 33.21 H new ATOM 0 HB3 ARG A 88 -3.293 2.234 -12.071 1.00 33.21 H new ATOM 0 HG2 ARG A 88 -3.358 -0.696 -12.894 1.00 42.33 H new ATOM 0 HG3 ARG A 88 -3.986 0.641 -13.837 1.00 42.33 H new ATOM 0 HD2 ARG A 88 -1.576 1.608 -13.788 1.00 12.42 H new ATOM 0 HD3 ARG A 88 -1.073 0.045 -13.176 1.00 12.42 H new ATOM 0 HE ARG A 88 -1.828 0.695 -15.890 1.00 52.53 H new ATOM 0 HH11 ARG A 88 -1.353 -2.034 -13.660 1.00 3.04 H new ATOM 0 HH12 ARG A 88 -1.631 -3.231 -14.931 1.00 3.04 H new ATOM 0 HH21 ARG A 88 -2.420 -0.801 -17.392 1.00 13.42 H new ATOM 0 HH22 ARG A 88 -2.238 -2.526 -17.055 1.00 13.42 H new ATOM 1480 N LYS A 89 -1.805 3.012 -9.837 1.00 15.10 N ATOM 1481 CA LYS A 89 -0.916 4.111 -9.488 1.00 14.14 C ATOM 1482 C LYS A 89 -0.113 3.738 -8.244 1.00 2.34 C ATOM 1483 O LYS A 89 1.110 3.824 -8.274 1.00 51.34 O ATOM 1484 CB LYS A 89 -1.689 5.423 -9.256 1.00 41.42 C ATOM 1485 CG LYS A 89 -2.341 6.033 -10.513 1.00 43.13 C ATOM 1486 CD LYS A 89 -3.825 5.662 -10.661 1.00 64.32 C ATOM 1487 CE LYS A 89 -4.475 6.419 -11.825 1.00 13.54 C ATOM 1488 NZ LYS A 89 -5.953 6.328 -11.812 1.00 75.22 N1+ ATOM 0 H LYS A 89 -2.772 3.159 -9.547 1.00 15.10 H new ATOM 0 HA LYS A 89 -0.239 4.281 -10.325 1.00 14.14 H new ATOM 0 HB2 LYS A 89 -2.467 5.241 -8.515 1.00 41.42 H new ATOM 0 HB3 LYS A 89 -1.006 6.157 -8.828 1.00 41.42 H new ATOM 0 HG2 LYS A 89 -2.246 7.118 -10.474 1.00 43.13 H new ATOM 0 HG3 LYS A 89 -1.798 5.697 -11.396 1.00 43.13 H new ATOM 0 HD2 LYS A 89 -3.919 4.588 -10.825 1.00 64.32 H new ATOM 0 HD3 LYS A 89 -4.353 5.891 -9.735 1.00 64.32 H new ATOM 0 HE2 LYS A 89 -4.179 7.467 -11.781 1.00 13.54 H new ATOM 0 HE3 LYS A 89 -4.099 6.021 -12.767 1.00 13.54 H new ATOM 0 HZ1 LYS A 89 -6.320 6.497 -12.771 1.00 75.22 H new ATOM 0 HZ2 LYS A 89 -6.240 5.380 -11.493 1.00 75.22 H new ATOM 0 HZ3 LYS A 89 -6.339 7.043 -11.163 1.00 75.22 H new ATOM 1502 N LEU A 90 -0.764 3.323 -7.157 1.00 2.34 N ATOM 1503 CA LEU A 90 -0.131 3.214 -5.852 1.00 62.33 C ATOM 1504 C LEU A 90 1.064 2.278 -5.859 1.00 70.22 C ATOM 1505 O LEU A 90 2.144 2.642 -5.408 1.00 13.11 O ATOM 1506 CB LEU A 90 -1.155 2.751 -4.819 1.00 42.24 C ATOM 1507 CG LEU A 90 -1.055 3.562 -3.515 1.00 14.23 C ATOM 1508 CD1 LEU A 90 -1.320 5.059 -3.702 1.00 34.32 C ATOM 1509 CD2 LEU A 90 -2.129 3.063 -2.562 1.00 43.35 C ATOM 0 H LEU A 90 -1.748 3.053 -7.162 1.00 2.34 H new ATOM 0 HA LEU A 90 0.242 4.204 -5.588 1.00 62.33 H new ATOM 0 HB2 LEU A 90 -2.159 2.849 -5.232 1.00 42.24 H new ATOM 0 HB3 LEU A 90 -1.001 1.694 -4.603 1.00 42.24 H new ATOM 0 HG LEU A 90 -0.038 3.431 -3.146 1.00 14.23 H new ATOM 0 HD11 LEU A 90 -1.232 5.567 -2.741 1.00 34.32 H new ATOM 0 HD12 LEU A 90 -0.592 5.473 -4.399 1.00 34.32 H new ATOM 0 HD13 LEU A 90 -2.325 5.204 -4.099 1.00 34.32 H new ATOM 0 HD21 LEU A 90 -2.077 3.624 -1.629 1.00 43.35 H new ATOM 0 HD22 LEU A 90 -3.111 3.202 -3.015 1.00 43.35 H new ATOM 0 HD23 LEU A 90 -1.971 2.004 -2.357 1.00 43.35 H new ATOM 1521 N HIS A 91 0.878 1.089 -6.426 1.00 11.24 N ATOM 1522 CA HIS A 91 1.955 0.111 -6.571 1.00 44.30 C ATOM 1523 C HIS A 91 3.149 0.696 -7.350 1.00 65.40 C ATOM 1524 O HIS A 91 4.299 0.441 -6.978 1.00 62.10 O ATOM 1525 CB HIS A 91 1.412 -1.169 -7.225 1.00 74.21 C ATOM 1526 CG HIS A 91 2.472 -2.113 -7.733 1.00 23.33 C ATOM 1527 ND1 HIS A 91 3.324 -2.904 -6.995 1.00 12.20 N ATOM 1528 CD2 HIS A 91 2.802 -2.264 -9.049 1.00 63.15 C ATOM 1529 CE1 HIS A 91 4.151 -3.519 -7.858 1.00 30.45 C ATOM 1530 NE2 HIS A 91 3.876 -3.159 -9.132 1.00 10.32 N ATOM 0 H HIS A 91 -0.019 0.776 -6.797 1.00 11.24 H new ATOM 0 HA HIS A 91 2.330 -0.146 -5.580 1.00 44.30 H new ATOM 0 HB2 HIS A 91 0.792 -1.696 -6.500 1.00 74.21 H new ATOM 0 HB3 HIS A 91 0.764 -0.890 -8.056 1.00 74.21 H new ATOM 0 HD2 HIS A 91 2.318 -1.777 -9.883 1.00 63.15 H new ATOM 0 HE1 HIS A 91 4.931 -4.209 -7.572 1.00 30.45 H new ATOM 0 HE2 HIS A 91 4.352 -3.474 -9.978 1.00 10.32 H new ATOM 1538 N LYS A 92 2.911 1.465 -8.431 1.00 0.33 N ATOM 1539 CA LYS A 92 4.026 2.073 -9.163 1.00 62.41 C ATOM 1540 C LYS A 92 4.730 3.088 -8.273 1.00 4.02 C ATOM 1541 O LYS A 92 5.953 3.023 -8.144 1.00 61.24 O ATOM 1542 CB LYS A 92 3.669 2.598 -10.577 1.00 22.30 C ATOM 1543 CG LYS A 92 3.004 3.986 -10.742 1.00 2.40 C ATOM 1544 CD LYS A 92 3.069 4.465 -12.199 1.00 24.33 C ATOM 1545 CE LYS A 92 2.698 5.937 -12.445 1.00 65.23 C ATOM 1546 NZ LYS A 92 1.253 6.243 -12.438 1.00 43.32 N1+ ATOM 0 H LYS A 92 1.984 1.672 -8.804 1.00 0.33 H new ATOM 0 HA LYS A 92 4.736 1.279 -9.394 1.00 62.41 H new ATOM 0 HB2 LYS A 92 4.589 2.608 -11.161 1.00 22.30 H new ATOM 0 HB3 LYS A 92 3.007 1.865 -11.038 1.00 22.30 H new ATOM 0 HG2 LYS A 92 1.964 3.934 -10.420 1.00 2.40 H new ATOM 0 HG3 LYS A 92 3.502 4.709 -10.096 1.00 2.40 H new ATOM 0 HD2 LYS A 92 4.081 4.300 -12.570 1.00 24.33 H new ATOM 0 HD3 LYS A 92 2.405 3.840 -12.796 1.00 24.33 H new ATOM 0 HE2 LYS A 92 3.184 6.547 -11.683 1.00 65.23 H new ATOM 0 HE3 LYS A 92 3.110 6.241 -13.407 1.00 65.23 H new ATOM 0 HZ1 LYS A 92 1.112 7.259 -12.613 1.00 43.32 H new ATOM 0 HZ2 LYS A 92 0.778 5.695 -13.183 1.00 43.32 H new ATOM 0 HZ3 LYS A 92 0.849 5.992 -11.513 1.00 43.32 H new ATOM 1560 N LEU A 93 3.973 3.975 -7.622 1.00 63.33 N ATOM 1561 CA LEU A 93 4.502 5.000 -6.728 1.00 20.11 C ATOM 1562 C LEU A 93 5.355 4.351 -5.642 1.00 43.43 C ATOM 1563 O LEU A 93 6.472 4.798 -5.405 1.00 62.13 O ATOM 1564 CB LEU A 93 3.356 5.833 -6.121 1.00 1.11 C ATOM 1565 CG LEU A 93 2.692 6.794 -7.127 1.00 52.21 C ATOM 1566 CD1 LEU A 93 1.326 7.253 -6.606 1.00 23.33 C ATOM 1567 CD2 LEU A 93 3.573 8.023 -7.386 1.00 24.41 C ATOM 0 H LEU A 93 2.957 3.999 -7.705 1.00 63.33 H new ATOM 0 HA LEU A 93 5.135 5.680 -7.299 1.00 20.11 H new ATOM 0 HB2 LEU A 93 2.599 5.158 -5.722 1.00 1.11 H new ATOM 0 HB3 LEU A 93 3.743 6.410 -5.281 1.00 1.11 H new ATOM 0 HG LEU A 93 2.563 6.251 -8.064 1.00 52.21 H new ATOM 0 HD11 LEU A 93 0.870 7.931 -7.328 1.00 23.33 H new ATOM 0 HD12 LEU A 93 0.680 6.386 -6.465 1.00 23.33 H new ATOM 0 HD13 LEU A 93 1.454 7.769 -5.654 1.00 23.33 H new ATOM 0 HD21 LEU A 93 3.078 8.682 -8.099 1.00 24.41 H new ATOM 0 HD22 LEU A 93 3.735 8.558 -6.450 1.00 24.41 H new ATOM 0 HD23 LEU A 93 4.533 7.704 -7.793 1.00 24.41 H new ATOM 1579 N TYR A 94 4.871 3.273 -5.023 1.00 62.42 N ATOM 1580 CA TYR A 94 5.604 2.523 -4.017 1.00 42.52 C ATOM 1581 C TYR A 94 6.943 2.015 -4.550 1.00 73.20 C ATOM 1582 O TYR A 94 7.989 2.348 -3.980 1.00 63.02 O ATOM 1583 CB TYR A 94 4.749 1.366 -3.498 1.00 5.32 C ATOM 1584 CG TYR A 94 5.492 0.489 -2.516 1.00 33.45 C ATOM 1585 CD1 TYR A 94 6.022 1.038 -1.330 1.00 3.30 C ATOM 1586 CD2 TYR A 94 5.704 -0.866 -2.818 1.00 12.54 C ATOM 1587 CE1 TYR A 94 6.790 0.250 -0.453 1.00 21.21 C ATOM 1588 CE2 TYR A 94 6.443 -1.665 -1.937 1.00 73.21 C ATOM 1589 CZ TYR A 94 7.010 -1.114 -0.767 1.00 54.02 C ATOM 1590 OH TYR A 94 7.771 -1.936 -0.003 1.00 52.45 O ATOM 0 H TYR A 94 3.943 2.895 -5.214 1.00 62.42 H new ATOM 0 HA TYR A 94 5.825 3.198 -3.190 1.00 42.52 H new ATOM 0 HB2 TYR A 94 3.856 1.766 -3.018 1.00 5.32 H new ATOM 0 HB3 TYR A 94 4.415 0.760 -4.340 1.00 5.32 H new ATOM 0 HD1 TYR A 94 5.836 2.075 -1.092 1.00 3.30 H new ATOM 0 HD2 TYR A 94 5.299 -1.290 -3.725 1.00 12.54 H new ATOM 0 HE1 TYR A 94 7.206 0.679 0.447 1.00 21.21 H new ATOM 0 HE2 TYR A 94 6.581 -2.714 -2.155 1.00 73.21 H new ATOM 0 HH TYR A 94 7.937 -1.515 0.866 1.00 52.45 H new ATOM 1600 N LYS A 95 6.938 1.208 -5.624 1.00 41.45 N ATOM 1601 CA LYS A 95 8.205 0.638 -6.079 1.00 54.30 C ATOM 1602 C LYS A 95 9.172 1.739 -6.528 1.00 22.23 C ATOM 1603 O LYS A 95 10.364 1.630 -6.261 1.00 35.23 O ATOM 1604 CB LYS A 95 8.018 -0.546 -7.046 1.00 32.21 C ATOM 1605 CG LYS A 95 7.551 -0.249 -8.478 1.00 61.25 C ATOM 1606 CD LYS A 95 8.661 0.316 -9.386 1.00 54.15 C ATOM 1607 CE LYS A 95 8.806 -0.467 -10.698 1.00 22.41 C ATOM 1608 NZ LYS A 95 7.616 -0.367 -11.567 1.00 12.11 N1+ ATOM 0 H LYS A 95 6.114 0.948 -6.166 1.00 41.45 H new ATOM 0 HA LYS A 95 8.702 0.166 -5.231 1.00 54.30 H new ATOM 0 HB2 LYS A 95 8.968 -1.077 -7.109 1.00 32.21 H new ATOM 0 HB3 LYS A 95 7.299 -1.232 -6.597 1.00 32.21 H new ATOM 0 HG2 LYS A 95 7.162 -1.166 -8.922 1.00 61.25 H new ATOM 0 HG3 LYS A 95 6.726 0.462 -8.442 1.00 61.25 H new ATOM 0 HD2 LYS A 95 8.444 1.360 -9.612 1.00 54.15 H new ATOM 0 HD3 LYS A 95 9.609 0.297 -8.849 1.00 54.15 H new ATOM 0 HE2 LYS A 95 9.676 -0.098 -11.240 1.00 22.41 H new ATOM 0 HE3 LYS A 95 8.994 -1.516 -10.469 1.00 22.41 H new ATOM 0 HZ1 LYS A 95 7.774 -0.916 -12.436 1.00 12.11 H new ATOM 0 HZ2 LYS A 95 6.787 -0.744 -11.065 1.00 12.11 H new ATOM 0 HZ3 LYS A 95 7.448 0.630 -11.812 1.00 12.11 H new ATOM 1622 N HIS A 96 8.684 2.829 -7.130 1.00 2.14 N ATOM 1623 CA HIS A 96 9.522 3.974 -7.479 1.00 2.00 C ATOM 1624 C HIS A 96 10.047 4.711 -6.247 1.00 64.43 C ATOM 1625 O HIS A 96 11.143 5.263 -6.299 1.00 42.32 O ATOM 1626 CB HIS A 96 8.754 4.941 -8.388 1.00 24.51 C ATOM 1627 CG HIS A 96 8.496 4.354 -9.751 1.00 14.41 C ATOM 1628 ND1 HIS A 96 9.418 3.678 -10.514 1.00 42.35 N ATOM 1629 CD2 HIS A 96 7.306 4.339 -10.425 1.00 62.44 C ATOM 1630 CE1 HIS A 96 8.797 3.248 -11.615 1.00 43.34 C ATOM 1631 NE2 HIS A 96 7.497 3.605 -11.603 1.00 62.31 N ATOM 0 H HIS A 96 7.703 2.939 -7.386 1.00 2.14 H new ATOM 0 HA HIS A 96 10.388 3.584 -8.014 1.00 2.00 H new ATOM 0 HB2 HIS A 96 7.804 5.201 -7.920 1.00 24.51 H new ATOM 0 HB3 HIS A 96 9.321 5.866 -8.494 1.00 24.51 H new ATOM 0 HD2 HIS A 96 6.386 4.808 -10.107 1.00 62.44 H new ATOM 0 HE1 HIS A 96 9.272 2.690 -12.408 1.00 43.34 H new ATOM 0 HE2 HIS A 96 6.794 3.385 -12.309 1.00 62.31 H new ATOM 1639 N ALA A 97 9.308 4.722 -5.138 1.00 74.32 N ATOM 1640 CA ALA A 97 9.750 5.339 -3.901 1.00 62.11 C ATOM 1641 C ALA A 97 10.934 4.573 -3.330 1.00 21.45 C ATOM 1642 O ALA A 97 11.976 5.182 -3.082 1.00 62.01 O ATOM 1643 CB ALA A 97 8.605 5.401 -2.894 1.00 12.11 C ATOM 0 H ALA A 97 8.382 4.299 -5.079 1.00 74.32 H new ATOM 0 HA ALA A 97 10.068 6.360 -4.111 1.00 62.11 H new ATOM 0 HB1 ALA A 97 8.955 5.867 -1.973 1.00 12.11 H new ATOM 0 HB2 ALA A 97 7.787 5.989 -3.309 1.00 12.11 H new ATOM 0 HB3 ALA A 97 8.254 4.392 -2.680 1.00 12.11 H new ATOM 1649 N ILE A 98 10.789 3.258 -3.124 1.00 4.01 N ATOM 1650 CA ILE A 98 11.877 2.476 -2.537 1.00 65.43 C ATOM 1651 C ILE A 98 13.084 2.457 -3.478 1.00 70.52 C ATOM 1652 O ILE A 98 14.209 2.666 -3.036 1.00 31.14 O ATOM 1653 CB ILE A 98 11.406 1.077 -2.090 1.00 34.23 C ATOM 1654 CG1 ILE A 98 12.512 0.381 -1.266 1.00 72.03 C ATOM 1655 CG2 ILE A 98 10.916 0.190 -3.243 1.00 12.03 C ATOM 1656 CD1 ILE A 98 11.986 -0.784 -0.420 1.00 25.45 C ATOM 0 H ILE A 98 9.949 2.726 -3.350 1.00 4.01 H new ATOM 0 HA ILE A 98 12.206 2.963 -1.619 1.00 65.43 H new ATOM 0 HB ILE A 98 10.531 1.228 -1.458 1.00 34.23 H new ATOM 0 HG12 ILE A 98 13.283 0.012 -1.942 1.00 72.03 H new ATOM 0 HG13 ILE A 98 12.985 1.113 -0.612 1.00 72.03 H new ATOM 0 HG21 ILE A 98 10.602 -0.777 -2.850 1.00 12.03 H new ATOM 0 HG22 ILE A 98 10.073 0.671 -3.739 1.00 12.03 H new ATOM 0 HG23 ILE A 98 11.725 0.045 -3.959 1.00 12.03 H new ATOM 0 HD11 ILE A 98 12.810 -1.232 0.135 1.00 25.45 H new ATOM 0 HD12 ILE A 98 11.235 -0.416 0.279 1.00 25.45 H new ATOM 0 HD13 ILE A 98 11.538 -1.534 -1.072 1.00 25.45 H new ATOM 1668 N LYS A 99 12.856 2.289 -4.784 1.00 65.44 N ATOM 1669 CA LYS A 99 13.937 2.328 -5.766 1.00 2.32 C ATOM 1670 C LYS A 99 14.638 3.681 -5.756 1.00 44.52 C ATOM 1671 O LYS A 99 15.861 3.708 -5.739 1.00 12.43 O ATOM 1672 CB LYS A 99 13.429 1.946 -7.166 1.00 70.12 C ATOM 1673 CG LYS A 99 13.121 0.441 -7.285 1.00 70.31 C ATOM 1674 CD LYS A 99 14.397 -0.395 -7.458 1.00 52.12 C ATOM 1675 CE LYS A 99 14.140 -1.883 -7.188 1.00 11.33 C ATOM 1676 NZ LYS A 99 15.337 -2.703 -7.460 1.00 60.11 N1+ ATOM 0 H LYS A 99 11.932 2.125 -5.183 1.00 65.44 H new ATOM 0 HA LYS A 99 14.680 1.582 -5.484 1.00 2.32 H new ATOM 0 HB2 LYS A 99 12.529 2.518 -7.392 1.00 70.12 H new ATOM 0 HB3 LYS A 99 14.177 2.222 -7.909 1.00 70.12 H new ATOM 0 HG2 LYS A 99 12.588 0.109 -6.394 1.00 70.31 H new ATOM 0 HG3 LYS A 99 12.459 0.272 -8.134 1.00 70.31 H new ATOM 0 HD2 LYS A 99 14.780 -0.270 -8.471 1.00 52.12 H new ATOM 0 HD3 LYS A 99 15.167 -0.029 -6.779 1.00 52.12 H new ATOM 0 HE2 LYS A 99 13.836 -2.017 -6.150 1.00 11.33 H new ATOM 0 HE3 LYS A 99 13.314 -2.228 -7.810 1.00 11.33 H new ATOM 0 HZ1 LYS A 99 15.125 -3.702 -7.266 1.00 60.11 H new ATOM 0 HZ2 LYS A 99 15.613 -2.595 -8.457 1.00 60.11 H new ATOM 0 HZ3 LYS A 99 16.118 -2.390 -6.849 1.00 60.11 H new ATOM 1690 N LYS A 100 13.922 4.809 -5.687 1.00 42.13 N ATOM 1691 CA LYS A 100 14.576 6.105 -5.501 1.00 4.50 C ATOM 1692 C LYS A 100 15.385 6.115 -4.211 1.00 64.53 C ATOM 1693 O LYS A 100 16.494 6.643 -4.204 1.00 65.31 O ATOM 1694 CB LYS A 100 13.542 7.236 -5.529 1.00 23.44 C ATOM 1695 CG LYS A 100 14.146 8.641 -5.359 1.00 42.32 C ATOM 1696 CD LYS A 100 14.104 9.130 -3.900 1.00 74.15 C ATOM 1697 CE LYS A 100 14.623 10.563 -3.716 1.00 14.21 C ATOM 1698 NZ LYS A 100 16.066 10.713 -3.996 1.00 55.41 N1+ ATOM 0 H LYS A 100 12.905 4.850 -5.756 1.00 42.13 H new ATOM 0 HA LYS A 100 15.269 6.271 -6.326 1.00 4.50 H new ATOM 0 HB2 LYS A 100 13.001 7.196 -6.474 1.00 23.44 H new ATOM 0 HB3 LYS A 100 12.812 7.067 -4.737 1.00 23.44 H new ATOM 0 HG2 LYS A 100 15.179 8.633 -5.706 1.00 42.32 H new ATOM 0 HG3 LYS A 100 13.603 9.345 -5.990 1.00 42.32 H new ATOM 0 HD2 LYS A 100 13.078 9.075 -3.537 1.00 74.15 H new ATOM 0 HD3 LYS A 100 14.697 8.456 -3.283 1.00 74.15 H new ATOM 0 HE2 LYS A 100 14.063 11.230 -4.372 1.00 14.21 H new ATOM 0 HE3 LYS A 100 14.425 10.883 -2.693 1.00 14.21 H new ATOM 0 HZ1 LYS A 100 16.346 11.704 -3.852 1.00 55.41 H new ATOM 0 HZ2 LYS A 100 16.610 10.102 -3.353 1.00 55.41 H new ATOM 0 HZ3 LYS A 100 16.259 10.438 -4.980 1.00 55.41 H new ATOM 1712 N ARG A 101 14.853 5.574 -3.114 1.00 13.00 N ATOM 1713 CA ARG A 101 15.569 5.510 -1.844 1.00 21.24 C ATOM 1714 C ARG A 101 16.862 4.701 -1.956 1.00 32.44 C ATOM 1715 O ARG A 101 17.790 4.989 -1.200 1.00 41.23 O ATOM 1716 CB ARG A 101 14.647 4.962 -0.733 1.00 43.10 C ATOM 1717 CG ARG A 101 14.356 5.966 0.390 1.00 13.42 C ATOM 1718 CD ARG A 101 13.587 7.196 -0.105 1.00 31.55 C ATOM 1719 NE ARG A 101 13.247 8.109 1.004 1.00 14.22 N ATOM 1720 CZ ARG A 101 13.617 9.385 1.174 1.00 32.10 C ATOM 1721 NH1 ARG A 101 14.482 9.973 0.351 1.00 32.33 N1+ ATOM 1722 NH2 ARG A 101 13.103 10.091 2.173 1.00 74.22 N ATOM 0 H ARG A 101 13.917 5.170 -3.083 1.00 13.00 H new ATOM 0 HA ARG A 101 15.862 6.525 -1.573 1.00 21.24 H new ATOM 0 HB2 ARG A 101 13.703 4.649 -1.180 1.00 43.10 H new ATOM 0 HB3 ARG A 101 15.105 4.072 -0.301 1.00 43.10 H new ATOM 0 HG2 ARG A 101 13.780 5.473 1.173 1.00 13.42 H new ATOM 0 HG3 ARG A 101 15.296 6.286 0.839 1.00 13.42 H new ATOM 0 HD2 ARG A 101 14.187 7.728 -0.843 1.00 31.55 H new ATOM 0 HD3 ARG A 101 12.674 6.877 -0.607 1.00 31.55 H new ATOM 0 HE ARG A 101 12.654 7.718 1.735 1.00 14.22 H new ATOM 0 HH11 ARG A 101 14.879 9.451 -0.430 1.00 32.33 H new ATOM 0 HH12 ARG A 101 14.748 10.946 0.501 1.00 32.33 H new ATOM 0 HH21 ARG A 101 12.429 9.662 2.807 1.00 74.22 H new ATOM 0 HH22 ARG A 101 13.382 11.063 2.307 1.00 74.22 H new